A0A3Q0KL92_SCHMA Loading...

Putative adam (A disintegrin and metalloprotease) AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KL92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,761 aa.

						>A0A3Q0KL92_SCHMA|A0A3Q0KL92
MLISSNQHFINIYTLILSLFIFFLHYKYSFHNVNAENLKPTSSSSSSSVHQHYVNFIQKQYDSKDIDSSLSDNHYVDKSNLPQTINNMDNFKSCICFKWPNCLSNCTNDPLLKSVIQTDYGYLSNVPLPFIILFPYQARKSRNNHDTSTLGRQGGYFLNTRFWLTMYNQQTIVLKLQKSRIFSHAGNYSTLYYQKKNDGQMYEFESDKLKNCYYTGTVVNQTEDHLNLDTTKYTNYVAVNTCSGLNGIIHYANQTYGIRPLHCKQCDSTAIPHLLFPHRSKLINRDVQLPVFWRPTDIFNIMNRKSLVKVEGPRLYTINLALTLDYHLFSSFDHNLERSIHYLSNVLNQVTKSFQHVPVELYLIQSEIWTLKDLIQSNVSIKTTLNNFAHFIINRRRKYHSSMFVKNNVVNKSDVVVMNPSVGNDTFGRHRIHRRSINTDDDVLRKTSSSTSSSSLNNPSLYTKHFDVQLLLTGRRFTNPVEYIAIPDSICTPRAVGIIQVNNTDMDYHVSRLISLAIAEILGIKSFPCPPLYSCYSFDLFSDGDNSRLRLALSSGMADCLLQNIAVTKDSKSFIDTCGNGQIDRGEECDPVVRRTLSYSSNFTNPMSCCNLDTCLASVWAVCTHGPCCHQCRLKQKGSVCRPAFDQCDLPEFCTGTHPSCPLDLYLENGSPCLIQSTQSLLGTVSASSTSLSALSSSSITTTSTTVVQKNNHSSSSQLNYLVENHKSLCYQGRCPTRHSQCEMIWGEQATEASDYCFHLHNTKTDGACGVQGQHCTIEHAKCGLLQCQGGRPRPVSLEAQSGQPFVTYTEHQGRQFECKYLSHTSKVRFVPEGASCAPDRYCFHQECVLPHVVFQSNCPTGPISKQLENGHIIYQNVTCSDHGLCTNAGFCLCHPEWTGNACELPLVITNQSNNITNNQNDILSNSSLSSIVSSQSTIIMNPLSSEVIHWIWDYLEQMQKSYGNSRNFQLKRFSHNNNNNGENYKAPLNTLYLVCILGVVVGGVFLFLAIFMFIYRRRGRSNIFNKSYYNNHNHRKFCAFSRNGCRRRRCCRINQRNTDLLSPRSIKHNGASLRLFNTIDSNSTECQELQSSMYDRSTVGVGGGSCSSHDKSGYDRHNRLHHDNNQNGDNQDEECSRRVRSRTGNSRNKDLECHNHHRRHHHHHHHSVHNNESKHRRKQHNRNGSSSNSHGLKDKEELSRKKKLDRKHKSSSRTSAPGSSDIKLLDSIEGQYGINFSDTELTYKHSSSNNNNTDYHNHEDLNNSMDRIIKFGSMPSYKEDKIKQLKRTADTLPPFKSLKNGQSMSTSENTVYLTDSTDITINLPNSDLKNQANLNVPICGTYTSSLIESNGGGNTHNINQKSTVCCGSVSVTSPLITAITPSVSSSSTVPPLFPFYSTAYSKSVSPMAYLPTDDLTTQTTLPNSNQNSLLLHNVTTAALVGAGRAGANAAAAVAAAAAANPTAAEVITTASTTVISSGTLDVMSSSNNDMLIDTCSTTVSPVDTSKDVMNDTQFNIIMENSWRQPEKGILKNKNEGGSYNVSNSSSINTATNRRHHRRSSSSINHKKHHHHRHRSPSSSRATGSHHRSRHKHSKSSRHHHHTSTNTMDNNDAGIMKRNDSFSDCSCHLHENEKKLRKHHNRSRRLSRQGNNTVTSRSNSVNDGSSHLEFCSVLNDINGNDDRSPSGSSSISSHGLEFLSSHSSSSSSSSSLCGTLATSSSSSSSSTSSSFTDLDPHCHRHSHSNPHCHKDHDNNNNDDDVQSLSSSFTSSTTSTCSTALEVNVIKCNNSQQQQNVDPTTPDHNRSKRLDIINNKSNRLNQQLKKNCSENNQTIQCVNNDNNIGTDSINIEREDQRSSHRHSRKHHRRHCRYRKHHGHHKRHGESNQEISGTINLAGESLGSSSSTTNNCHSGISEASSSSSGLTTVSYHRRRSRTRSITDEDCTTSGSRRSSPLPPAPTILCNVGQQTDELSLLKVAGLTISSKTGANSESAKNNNNNNNTSHNENRKSYLDSEGEWEEVECNESGCEECQNSIHTTTTTTTTTDKSISSLGNNQSKHITTTSPPILSSPSCHPTIFLQNRTNQLHSTSSNNFNPLCVTLNNQQQPLYNLSTPPANSSLSIINSKQQSNSTNSSLGSSKTSRSAGGFSSSGGSTGLANLSSPPPLPPSFLSTTNTITTTTTTNNNNSDNSNHSNVICMPLQQYQQSQLSGMKQQQQPIEEYTGQHSEPEVDAHLNIGSIINRQINEQQNLVNKLQTDPNHHHQQQHYNPFYLPSKSSVKHSYAQSSDSQSQLNNLLLHQQAKLSIQNNNNNNKPPNSLQLFTSPEIIHRGVNNMTNNRSVYDSSLQMIDNNNNTHNNIQGNLELYYQHPYEDVATDDYAETNSQLNCTSLQQNQSFNQSLLSYYPQKQFQSYLSPTEPTPPPLPPTLTSAQQHIYHQHDGCSPLLLPPVSTNSLLYNNEVNNRFGYSRTTTLDEDDKLSLDEDSEMMHFTNSQMNNNNNNNAVNVTMTTTTTNAITTTATNISNVNNNNNTHLSSMFNPYTVAFINNSPSNYIQSNPSHHTTLSHFNPSYSVWNTNDSVHHHHHTNNNINKSYRINDNSAIIYPSDQMNNANDGVAGITGSSGSTHPLLTDIDDVGSDFSLSAFRRNDDICGSSSLSNRMLNNNNNDLIMNKLLPSSQTTQLQHNNYQIIQQQSTEHHSSSDIAGMMDVRSNDGTCDESDASSLPEQGCDLMHLAQLRISARPNPLLNDLAKQQVQRNNK
					

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

Download 8 Fragment Structures AlphaSync Parameters PDBs Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	36.8	Very low	43.8	Very low	227 Å²	227	134 Å²	134	100%	1.118	70%	0.703	S	S	*	*				0	117.4	0	-73.5	166.8	168.6	0	0	106.6
2	L	35.3	Very low	45.7	Very low	145 Å²	145	129.8 Å²	129.8	76%	0.759	68%	0.68	S	S	*	*				65.3	85.9	70.7	-59.6	172.7	0	0	0	108.7
3	I	35.7	Very low	47.3	Very low	160 Å²	160	132.5 Å²	132.5	82%	0.821	68%	0.678	S	S	*	*				82.4	138.4	84	-73.1	171.5	0	0	0	111.7
4	S	37.4	Very low	49	Very low	117 Å²	117	128.4 Å²	128.4	82%	0.818	66%	0.662	S	S	*	*			trans	90.1	78.3	174.3	-155.1	0	0	0	0	118.2
5	S	41.8	Very low	50.6	Low	96 Å²	96	126.9 Å²	126.9	67%	0.671	66%	0.655	S	S	*	*			trans	-165.1	68.3	140.2	-168.8	0	0	0	0	110.2
6	N	43	Very low	52.1	Low	120 Å²	120	124.8 Å²	124.8	64%	0.642	64%	0.644	S	S	*	*			trans	-106.1	24.6	-167.2	-151	18.5	0	0	0	114.9
7	Q	48.4	Very low	53.4	Low	146 Å²	146	123.4 Å²	123.4	68%	0.682	64%	0.637	S	S	*	*	S	Bend	trans	-101.8	-37.5	179.7	-146.3	69	17.3	0	0	113.2
8	H	46.9	Very low	54.5	Low	139 Å²	139	119.6 Å²	119.6	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-33.2	179.4	-86.4	-81.9	0	0	0	113.4	I10 N11 I12	H8-I10 VanDerWaalsContact C-N 3.3Å; H8-I10 PolarHBondContact O-N 2.85Å; H8-N11 PolarHBondContact O-N 2.84Å; H8-I12 WeakPolarHBondContact O-CG1 3.49Å; H8-I12 PolarHBondContact O-N 3.17Å; H8-I12 VanDerWaalsContact O-N 3.08Å
9	F	46.1	Very low	55.4	Low	135 Å²	135	118.4 Å²	118.4	59%	0.592	62%	0.617	S	S	*	*	H	α-helix	trans	-65.1	-32.9	177.8	-96.3	-80.2	0	0	0	112.9	I12 Y13	F9-I12 PolarHBondContact O-N 3.32Å; F9-Y13 WeakPolarHBondContact O-CB 3.45Å; F9-Y13 PolarHBondContact O-N 3.49Å
10	I	56.2	Low	56.1	Low	89 Å²	89	119.3 Å²	119.3	46%	0.456	62%	0.616	S	S	.	*	H	α-helix	trans	-64.9	-48.3	176.4	-62.9	176.2	0	0	0	110.1	H8 I12 Y13 T14	H8-I10 VanDerWaalsContact C-N 3.3Å; H8-I10 PolarHBondContact O-N 2.85Å; I10-I12 VanDerWaalsContact C-N 3.32Å; I10-I12 PolarHBondContact O-N 3.06Å; I10-Y13 PolarHBondContact O-N 2.86Å; I10-T14 HydrophobicContact CG2-CG2 4.49Å; I10-T14 WeakPolarHBondContact O-CG2 3.26Å; I10-T14 PolarHBondContact O-N 2.91Å; I10-T14 PolarHBondContact O-OG1 3.07Å
11	N	54.7	Low	57	Low	100 Å²	100	117.9 Å²	117.9	54%	0.535	61%	0.609	S	S	.	*	H	α-helix	trans	-63	-36.6	178	-76.4	-3	0	0	0	112.7	H8 T14 L15	H8-N11 PolarHBondContact O-N 2.84Å; N11-T14 WeakPolarHBondContact CA-OG1 3.49Å; N11-T14 PolarHBondContact O-OG1 2.88Å; N11-T14 VanDerWaalsContact O-OG1 3.04Å; N11-L15 WeakPolarHBondContact O-CB 3.39Å; N11-L15 PolarHBondContact O-N 3.47Å
12	I	66.5	Low	58.3	Low	83 Å²	83	113.9 Å²	113.9	43%	0.426	59%	0.586	S	S	.	*	H	α-helix	trans	-70.3	-41.9	175.1	-67.9	170.9	0	0	0	111	H8 F9 I10 L15 I16	H8-I12 WeakPolarHBondContact O-CG1 3.49Å; H8-I12 PolarHBondContact O-N 3.17Å; H8-I12 VanDerWaalsContact O-N 3.08Å; F9-I12 PolarHBondContact O-N 3.32Å; I10-I12 VanDerWaalsContact C-N 3.32Å; I10-I12 PolarHBondContact O-N 3.06Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-I16 HydrophobicContact CG2-CD1 3.73Å; I12-I16 HydrophobicContact CG2-CG1 4.37Å; I12-I16 WeakPolarHBondContact O-CB 3.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 2.87Å
13	Y	65.8	Low	59.4	Low	165 Å²	165	114.4 Å²	114.4	65%	0.647	58%	0.582	S	S	*	*	H	α-helix	trans	-68	-35.7	176.3	-118.3	-86.8	0	0	0	112.4	F9 I10 L17	F9-Y13 WeakPolarHBondContact O-CB 3.45Å; F9-Y13 PolarHBondContact O-N 3.49Å; I10-Y13 PolarHBondContact O-N 2.86Å; Y13-L17 WeakPolarHBondContact O-CB 3.48Å; Y13-L17 PolarHBondContact O-N 3.35Å
14	T	71.7	Confident	60.5	Low	75 Å²	75	111.3 Å²	111.3	46%	0.46	57%	0.567	S	S	.	*	H	α-helix	trans	-70.7	-32.7	172.6	52.2	0	0	0	0	112.2	I10 N11 S18	I10-T14 HydrophobicContact CG2-CG2 4.49Å; I10-T14 WeakPolarHBondContact O-CG2 3.26Å; I10-T14 PolarHBondContact O-N 2.91Å; I10-T14 PolarHBondContact O-OG1 3.07Å; N11-T14 WeakPolarHBondContact CA-OG1 3.49Å; N11-T14 PolarHBondContact O-OG1 2.88Å; N11-T14 VanDerWaalsContact O-OG1 3.04Å; T14-S18 WeakPolarHBondContact O-CB 3.42Å; T14-S18 PolarHBondContact O-N 3.36Å; T14-S18 PolarHBondContact O-OG 2.99Å
15	L	72.7	Confident	61.2	Low	106 Å²	106	111.6 Å²	111.6	56%	0.555	56%	0.555	S	S	*	*	H	α-helix	trans	-67.7	-46.3	171.1	-90.6	165	0	0	0	111.8	N11 I12 S18 L19	N11-L15 WeakPolarHBondContact O-CB 3.39Å; N11-L15 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 2.92Å; L15-S18 WeakPolarHBondContact CA-OG 3.25Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 2.77Å; L15-S18 VanDerWaalsContact O-OG 3.08Å; L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.15Å
16	I	74.6	Confident	61.3	Low	93 Å²	93	114.3 Å²	114.3	48%	0.477	55%	0.551	S	S	.	*	H	α-helix	trans	-65.4	-43.1	177.6	-68.6	170.5	0	0	0	110.6	I12 L19 F20	I12-I16 HydrophobicContact CG2-CD1 3.73Å; I12-I16 HydrophobicContact CG2-CG1 4.37Å; I12-I16 WeakPolarHBondContact O-CB 3.46Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 2.87Å; I16-L19 PolarHBondContact O-N 2.77Å; I16-F20 WeakPolarHBondContact O-CB 3.5Å; I16-F20 PolarHBondContact O-N 2.92Å
17	L	74.8	Confident	61.4	Low	101 Å²	101	117.1 Å²	117.1	53%	0.529	56%	0.558	S	S	.	*	H	α-helix	trans	-70.1	-38.8	178.3	-169	69.8	0	0	0	112	Y13 F20 I21	Y13-L17 WeakPolarHBondContact O-CB 3.48Å; Y13-L17 PolarHBondContact O-N 3.35Å; L17-F20 PolarHBondContact O-N 3.44Å; L17-I21 HydrophobicContact CG-CD1 4.01Å; L17-I21 WeakPolarHBondContact O-CB 3.22Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.35Å; L17-I21 PolarHBondContact O-N 3.24Å
18	S	72.8	Confident	61	Low	55 Å²	55	120 Å²	120	39%	0.385	56%	0.564	S	S	.	*	H	α-helix	trans	-67.9	-35.8	173.6	59.9	0	0	0	0	111.9	T14 L15 F22	T14-S18 WeakPolarHBondContact O-CB 3.42Å; T14-S18 PolarHBondContact O-N 3.36Å; T14-S18 PolarHBondContact O-OG 2.99Å; L15-S18 WeakPolarHBondContact CA-OG 3.25Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 2.77Å; L15-S18 VanDerWaalsContact O-OG 3.08Å; S18-F22 WeakPolarHBondContact O-CB 3.47Å; S18-F22 PolarHBondContact O-N 2.65Å
19	L	71.1	Confident	60.6	Low	98 Å²	98	116.8 Å²	116.8	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-64.8	-41.1	169.3	-77.9	166.4	0	0	0	112.1	L15 I16 F22 F23	L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CG 3.26Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.15Å; I16-L19 PolarHBondContact O-N 2.77Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 3.17Å; L19-F23 WeakPolarHBondContact O-CB 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.27Å; L19-F23 PolarHBondContact O-N 3.19Å
20	F	70.6	Confident	60.1	Low	135 Å²	135	118 Å²	118	59%	0.592	56%	0.562	S	S	*	*	H	α-helix	trans	-68.9	-39.3	177.8	-137.6	-91.3	0	0	0	111.6	I16 L17 F23 L24	I16-F20 WeakPolarHBondContact O-CB 3.5Å; I16-F20 PolarHBondContact O-N 2.92Å; L17-F20 PolarHBondContact O-N 3.44Å; F20-F23 PolarHBondContact O-N 3.04Å; F20-L24 HydrophobicContact CD1-CD1 3.91Å; F20-L24 HydrophobicContact CD1-CG 4.32Å; F20-L24 HydrophobicContact CE1-CD1 4.39Å; F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 VanDerWaalsContact O-CG 3.27Å; F20-L24 WeakPolarHBondContact O-CG 3.33Å; F20-L24 PolarHBondContact O-N 3.35Å
21	I	74.5	Confident	59	Low	90 Å²	90	121.3 Å²	121.3	46%	0.462	58%	0.575	S	S	.	*	H	α-helix	trans	-64.6	-42.3	171	-70.3	167.4	0	0	0	109.9	L17 L24 H25	L17-I21 HydrophobicContact CG-CD1 4.01Å; L17-I21 WeakPolarHBondContact O-CB 3.22Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.35Å; L17-I21 PolarHBondContact O-N 3.24Å; I21-L24 PolarHBondContact O-N 2.84Å; I21-H25 WeakPolarHBondContact O-CB 3.25Å; I21-H25 PolarHBondContact O-N 3.34Å
22	F	64.2	Low	58	Low	144 Å²	144	123.1 Å²	123.1	63%	0.632	59%	0.585	S	S	*	*	H	α-helix	trans	-57.8	-51.1	172.9	-119.2	-95.4	0	0	0	110.9	S18 L19 L24 H25 Y26	S18-F22 WeakPolarHBondContact O-CB 3.47Å; S18-F22 PolarHBondContact O-N 2.65Å; L19-F22 WeakPolarHBondContact O-CB 3.31Å; L19-F22 PolarHBondContact O-N 3.17Å; F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 PolarHBondContact O-N 3.03Å; F22-H25 PolarHBondContact O-N 3.47Å; F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.41Å; F22-Y26 PolarHBondContact O-N 3.29Å
23	F	57.5	Low	56.5	Low	155 Å²	155	125 Å²	125	68%	0.68	60%	0.6	S	S	*	*	H	α-helix	trans	-63	-31.7	178.4	-94.4	-76.3	0	0	0	113.4	L19 F20 K27	L19-F23 WeakPolarHBondContact O-CB 3.28Å; L19-F23 WeakPolarHBondContact O-CD2 3.27Å; L19-F23 PolarHBondContact O-N 3.19Å; F20-F23 PolarHBondContact O-N 3.04Å; F23-K27 WeakPolarHBondContact O-CB 3.25Å; F23-K27 PolarHBondContact O-N 3.22Å
24	L	59.5	Low	54.9	Low	96 Å²	96	124.5 Å²	124.5	50%	0.503	61%	0.609	S	S	.	*	H	α-helix	trans	-74.2	-42.3	173.6	-73	169.9	0	0	0	111.9	F20 I21 F22 K27 Y28	F20-L24 HydrophobicContact CD1-CD1 3.91Å; F20-L24 HydrophobicContact CD1-CG 4.32Å; F20-L24 HydrophobicContact CE1-CD1 4.39Å; F20-L24 WeakPolarHBondContact O-CB 3.29Å; F20-L24 VanDerWaalsContact O-CG 3.27Å; F20-L24 WeakPolarHBondContact O-CG 3.33Å; F20-L24 PolarHBondContact O-N 3.35Å; I21-L24 PolarHBondContact O-N 2.84Å; F22-L24 VanDerWaalsContact C-N 3.29Å; F22-L24 PolarHBondContact O-N 3.03Å; L24-K27 CarbonylContact O-C 3.57Å; L24-K27 PolarHBondContact O-N 2.9Å; L24-Y28 PolarHBondContact O-N 3.33Å
25	H	51.9	Low	53	Low	122 Å²	122	125.2 Å²	125.2	57%	0.565	62%	0.622	S	S	*	*	H	α-helix	trans	-68.1	-40.7	176.7	-128.9	-69.2	0	0	0	111.9	I21 F22 K27 Y28 S29	I21-H25 WeakPolarHBondContact O-CB 3.25Å; I21-H25 PolarHBondContact O-N 3.34Å; F22-H25 PolarHBondContact O-N 3.47Å; H25-K27 PolarHBondContact O-N 3.37Å; H25-Y28 CarbonylContact O-C 3.6Å; H25-Y28 PolarHBondContact O-N 3.47Å; H25-S29 PolarHBondContact CE1-OG 3.13Å; H25-S29 PolarHBondContact ND1-OG 3.46Å; H25-S29 WeakPolarHBondContact O-CB 3.34Å; H25-S29 PolarHBondContact O-N 3.13Å; H25-S29 PolarHBondContact O-OG 3.14Å
26	Y	44	Very low	51.1	Low	153 Å²	153	128 Å²	128	60%	0.6	63%	0.632	S	S	*	*	H	α-helix	trans	-62.7	-23.8	174.8	-141.6	-89.8	0	0	0	112.2	F22 F30	F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.41Å; F22-Y26 PolarHBondContact O-N 3.29Å; Y26-F30 HydrophobicContact CD1-CD2 4.23Å; Y26-F30 HydrophobicContact CD1-CE2 4.26Å; Y26-F30 HydrophobicContact CE1-CD2 4.02Å; Y26-F30 AromaticContact CE1-CE2 3.63Å; Y26-F30 HydrophobicContact CE1-CE2 3.63Å; Y26-F30 HydrophobicContact CE2-CE2 4.29Å; Y26-F30 AromaticContact CZ-CE2 3.66Å
27	K	44.4	Very low	49.1	Very low	180 Å²	180	130 Å²	130	78%	0.783	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.8	174.5	-151.5	170.6	-172.4	177	0	113.9	F23 L24 H25	F23-K27 WeakPolarHBondContact O-CB 3.25Å; F23-K27 PolarHBondContact O-N 3.22Å; L24-K27 CarbonylContact O-C 3.57Å; L24-K27 PolarHBondContact O-N 2.9Å; H25-K27 PolarHBondContact O-N 3.37Å
28	Y	41.1	Very low	47.2	Very low	207 Å²	207	133.7 Å²	133.7	81%	0.812	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	-11.4	179.7	-105	-84.5	0	0	0	115.2	L24 H25	L24-Y28 PolarHBondContact O-N 3.33Å; H25-Y28 CarbonylContact O-C 3.6Å; H25-Y28 PolarHBondContact O-N 3.47Å
29	S	37.8	Very low	45	Very low	70 Å²	70	140.1 Å²	140.1	49%	0.49	68%	0.684	S	S	.	*	S	Bend	trans	-109.7	-1.8	-177.4	-62.5	0	0	0	0	115.5	H25 H31	H25-S29 PolarHBondContact CE1-OG 3.13Å; H25-S29 PolarHBondContact ND1-OG 3.46Å; H25-S29 WeakPolarHBondContact O-CB 3.34Å; H25-S29 PolarHBondContact O-N 3.13Å; H25-S29 PolarHBondContact O-OG 3.14Å; S29-H31 PolarHBondContact O-N 3.36Å
30	F	35	Very low	43.1	Very low	161 Å²	161	141.4 Å²	141.4	71%	0.706	70%	0.699	S	S	*	*			trans	-80	68.3	172.4	-102.9	-82	0	0	0	112.3	Y26	Y26-F30 HydrophobicContact CD1-CD2 4.23Å; Y26-F30 HydrophobicContact CD1-CE2 4.26Å; Y26-F30 HydrophobicContact CE1-CD2 4.02Å; Y26-F30 AromaticContact CE1-CE2 3.63Å; Y26-F30 HydrophobicContact CE1-CE2 3.63Å; Y26-F30 HydrophobicContact CE2-CE2 4.29Å; Y26-F30 AromaticContact CZ-CE2 3.66Å
31	H	34.7	Very low	41.1	Very low	158 Å²	158	141 Å²	141	73%	0.731	71%	0.707	S	S	*	*	S	Bend	trans	-141.2	120.8	163.6	-139.8	-68.1	0	0	0	109.3	S29	S29-H31 PolarHBondContact O-N 3.36Å
32	N	33.3	Very low	38.9	Very low	139 Å²	139	142.7 Å²	142.7	74%	0.743	73%	0.727	S	S	*	*	S	Bend	trans	82.1	152.3	-179.6	-47	-18.7	0	0	0	117.4
33	V	34.3	Very low	37.2	Very low	122 Å²	122	141.5 Å²	141.5	74%	0.739	74%	0.737	S	S	*	*			trans	78	90.4	164.6	-161.3	0	0	0	0	118.9
34	N	33.1	Very low	35.7	Very low	155 Å²	155	139.3 Å²	139.3	83%	0.829	74%	0.741	S	S	*	*			trans	67.2	145.5	135	-57.9	-1.3	0	0	0	123.2
35	A	30.3	Very low	34.1	Very low	90 Å²	90	139.9 Å²	139.9	74%	0.744	75%	0.753	S	S	*	*			trans	-63.6	166.3	164.8	0	0	0	0	0	111.2
36	E	33.9	Very low	33.1	Very low	164 Å²	164	138.9 Å²	138.9	77%	0.766	76%	0.76	S	S	*	*			cis	-149.7	177	38.4	-59.9	-177.7	145.7	0	0	114.5
37	N	33	Very low	32.8	Very low	136 Å²	136	136.1 Å²	136.1	73%	0.727	76%	0.762	S	S	*	*			trans	63.4	89	156.6	-58.7	-43.9	0	0	0	119.3
38	L	34.5	Very low	32.2	Very low	178 Å²	178	132 Å²	132	93%	0.932	76%	0.756	S	S	*	*				-175.3	142.1	115.8	-96.8	158.7	0	0	0	111.6
39	K	27	Very low	32	Very low	189 Å²	189	127 Å²	127	82%	0.822	75%	0.747	S	S	*	*			trans	-93.3	149.4	-178	-76.6	-179.9	179.6	173.7	0	112.2
40	P	30.8	Very low	31.8	Very low	126 Å²	126	128.6 Å²	128.6	82%	0.818	75%	0.747	S	S	*	*				-103.2	175.1	122.3	-18.6	34.5	0	0	0	113.9
41	T	28.1	Very low	32	Very low	125 Å²	125	127 Å²	127	77%	0.767	74%	0.741	S	S	*	*			trans	-102.9	168.2	-165.6	44.2	0	0	0	0	115.2
42	S	28.6	Very low	32	Very low	127 Å²	127	126.2 Å²	126.2	89%	0.888	74%	0.738	S	S	*	*			trans	70.8	137.1	-175.6	78.5	0	0	0	0	115.2
43	S	27.8	Very low	32.2	Very low	119 Å²	119	126.5 Å²	126.5	83%	0.832	73%	0.73	S	S	*	*			cis	-133	144.7	-13.1	57.2	0	0	0	0	109.5
44	S	26.5	Very low	32.5	Very low	109 Å²	109	124.2 Å²	124.2	76%	0.762	72%	0.716	S	S	*	*			trans	-128.9	95.1	-158.3	56.5	0	0	0	0	114.8
45	S	25.9	Very low	32.9	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	70%	0.699	S	S	*	*	S	Bend	trans	-154.9	42.5	174.8	58.1	0	0	0	0	115
46	S	31.4	Very low	33.4	Very low	101 Å²	101	122 Å²	122	71%	0.706	69%	0.686	S	S	*	*	S	Bend	trans	-151.9	-18.3	176.4	62.7	0	0	0	0	117.8
47	S	36.5	Very low	33.8	Very low	94 Å²	94	117.9 Å²	117.9	66%	0.657	67%	0.669	S	S	*	*	S	Bend	trans	-85.2	-26.8	-166.9	50.3	0	0	0	0	116.1
48	S	32.6	Very low	34.2	Very low	94 Å²	94	116 Å²	116	66%	0.657	66%	0.656	S	S	*	*	H	α-helix	trans	-68.4	-36.2	-177.3	53.6	0	0	0	0	113.5	H50 H52	S48-H50 VanDerWaalsContact C-N 3.28Å; S48-H50 PolarHBondContact O-N 3.25Å; S48-H52 PolarHBondContact O-N 3.07Å
49	V	36.1	Very low	34.4	Very low	102 Å²	102	115.4 Å²	115.4	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-63.8	-33.4	-178	-175.9	0	0	0	0	111.8	H52 Y53	V49-H52 PolarHBondContact O-N 2.98Å; V49-Y53 WeakPolarHBondContact O-CB 3.37Å; V49-Y53 PolarHBondContact O-N 3.46Å
50	H	35.2	Very low	35	Very low	103 Å²	103	112.8 Å²	112.8	48%	0.477	64%	0.636	S	S	.	*	H	α-helix	trans	-67	-43	-175.9	-149.9	54.1	0	0	0	112	S48 Y53 V54 R279	S48-H50 VanDerWaalsContact C-N 3.28Å; S48-H50 PolarHBondContact O-N 3.25Å; H50-Y53 PolarHBondContact O-N 3.17Å; H50-V54 WeakPolarHBondContact O-CG2 3.49Å; H50-V54 PolarHBondContact O-N 3.19Å; H50-V54 VanDerWaalsContact O-N 3.09Å; H50-R279 PolarHBondContact NE2-NH1 3.17Å
51	Q	37.8	Very low	35.4	Very low	128 Å²	128	116 Å²	116	60%	0.598	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-38.9	178.2	-155.5	70.9	1.6	0	0	111.6	N55	Q51-N55 WeakPolarHBondContact O-CB 3.37Å; Q51-N55 PolarHBondContact O-N 3.12Å
52	H	35.6	Very low	35.9	Very low	142 Å²	142	115.3 Å²	115.3	66%	0.657	63%	0.625	S	S	*	*	H	α-helix	trans	-69.6	-33.5	178.6	-151.7	-52.9	0	0	0	112.4	S48 V49 F56	S48-H52 PolarHBondContact O-N 3.07Å; V49-H52 PolarHBondContact O-N 2.98Å; H52-F56 VanDerWaalsContact O-CB 3.28Å; H52-F56 WeakPolarHBondContact O-CB 3.46Å; H52-F56 PolarHBondContact O-N 3.4Å
53	Y	36.5	Very low	36.1	Very low	145 Å²	145	113.5 Å²	113.5	57%	0.569	61%	0.612	S	S	*	*	H	α-helix	trans	-71.5	-41.5	176	-169.2	-103.2	0	0	0	112.5	V49 H50 F56 I57	V49-Y53 WeakPolarHBondContact O-CB 3.37Å; V49-Y53 PolarHBondContact O-N 3.46Å; H50-Y53 PolarHBondContact O-N 3.17Å; Y53-F56 PolarHBondContact O-N 3.33Å; Y53-I57 HydrophobicContact CD1-CD1 3.98Å; Y53-I57 HydrophobicContact CE1-CD1 3.42Å; Y53-I57 VanDerWaalsContact CE1-CD1 3.42Å; Y53-I57 HydrophobicContact CE1-CG1 4.37Å; Y53-I57 PolarHBondContact O-N 3.39Å
54	V	42.4	Very low	36.3	Very low	74 Å²	74	116.5 Å²	116.5	45%	0.448	61%	0.611	S	S	.	*	H	α-helix	trans	-62.2	-46	174	171.1	0	0	0	0	110.8	H50 F56 I57 Q58	H50-V54 WeakPolarHBondContact O-CG2 3.49Å; H50-V54 PolarHBondContact O-N 3.19Å; H50-V54 VanDerWaalsContact O-N 3.09Å; V54-F56 VanDerWaalsContact C-N 3.3Å; V54-F56 PolarHBondContact O-N 3.4Å; V54-I57 PolarHBondContact O-N 3.38Å; V54-Q58 WeakPolarHBondContact O-CB 3.28Å; V54-Q58 PolarHBondContact O-N 2.98Å
55	N	41.4	Very low	36.5	Very low	89 Å²	89	119.2 Å²	119.2	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-65.6	-30.9	176.6	-72.6	-5.5	0	0	0	112.9	Q51 K59	Q51-N55 WeakPolarHBondContact O-CB 3.37Å; Q51-N55 PolarHBondContact O-N 3.12Å; N55-K59 WeakPolarHBondContact O-CB 3.43Å; N55-K59 PolarHBondContact O-N 3.44Å
56	F	40.1	Very low	36.8	Very low	109 Å²	109	120.9 Å²	120.9	48%	0.478	62%	0.615	S	S	.	*	H	α-helix	trans	-70.2	-44.8	176	-175.6	-91.8	0	0	0	112.3	H52 Y53 V54 Q58 K59 Q60	H52-F56 VanDerWaalsContact O-CB 3.28Å; H52-F56 WeakPolarHBondContact O-CB 3.46Å; H52-F56 PolarHBondContact O-N 3.4Å; Y53-F56 PolarHBondContact O-N 3.33Å; V54-F56 VanDerWaalsContact C-N 3.3Å; V54-F56 PolarHBondContact O-N 3.4Å; F56-Q58 VanDerWaalsContact C-N 3.33Å; F56-Q58 PolarHBondContact O-N 2.94Å; F56-K59 PolarHBondContact O-N 3.46Å; F56-Q60 HydrophobicContact CD1-CG 4.4Å; F56-Q60 HydrophobicContact CE1-CG 3.98Å; F56-Q60 HydrophobicContact CZ-CG 4.2Å; F56-Q60 PolarHBondContact O-N 2.86Å
57	I	42.8	Very low	36.8	Very low	77 Å²	77	123.2 Å²	123.2	40%	0.395	62%	0.62	S	S	.	*	H	α-helix	trans	-63.3	-40.9	175.7	-71.7	179.8	0	0	0	110.9	Y53 V54 Q60 Y61	Y53-I57 HydrophobicContact CD1-CD1 3.98Å; Y53-I57 HydrophobicContact CE1-CD1 3.42Å; Y53-I57 VanDerWaalsContact CE1-CD1 3.42Å; Y53-I57 HydrophobicContact CE1-CG1 4.37Å; Y53-I57 PolarHBondContact O-N 3.39Å; V54-I57 PolarHBondContact O-N 3.38Å; I57-Q60 PolarHBondContact O-N 2.89Å; I57-Y61 PolarHBondContact O-N 3.24Å
58	Q	40.7	Very low	36.3	Very low	98 Å²	98	124.8 Å²	124.8	46%	0.458	63%	0.631	S	S	.	*	H	α-helix	trans	-59.8	-51.7	175	-168.1	64.1	59.3	0	0	110.9	V54 F56 Q60 Y61 D62	V54-Q58 WeakPolarHBondContact O-CB 3.28Å; V54-Q58 PolarHBondContact O-N 2.98Å; F56-Q58 VanDerWaalsContact C-N 3.33Å; F56-Q58 PolarHBondContact O-N 2.94Å; Q58-Q60 VanDerWaalsContact C-N 3.28Å; Q58-Q60 PolarHBondContact O-N 3.43Å; Q58-Y61 PolarHBondContact O-N 2.91Å; Q58-Y61 VanDerWaalsContact O-N 3.08Å; Q58-D62 WeakPolarHBondContact CG-OD2 3.29Å; Q58-D62 PolarHBondContact NE2-OD1 3.23Å; Q58-D62 PolarHBondContact NE2-OD2 3.3Å; Q58-D62 PolarHBondContact O-N 3.27Å; Q58-D62 VanDerWaalsContact O-N 3.08Å
59	K	38.9	Very low	36.1	Very low	165 Å²	165	125 Å²	125	72%	0.717	63%	0.632	S	S	*	*	H	α-helix	trans	-62.6	-24.6	177.7	-81.8	-167.3	170.6	-168.9	0	115.2	N55 F56 S63	N55-K59 WeakPolarHBondContact O-CB 3.43Å; N55-K59 PolarHBondContact O-N 3.44Å; F56-K59 PolarHBondContact O-N 3.46Å; K59-S63 WeakPolarHBondContact O-CB 3.25Å
60	Q	40.2	Very low	35.8	Very low	133 Å²	133	128.7 Å²	128.7	62%	0.621	65%	0.648	S	S	*	*	H	α-helix	trans	-78.1	-18.8	174.7	-78.6	-148.6	-36	0	0	114	F56 I57 Q58	F56-Q60 HydrophobicContact CD1-CG 4.4Å; F56-Q60 HydrophobicContact CE1-CG 3.98Å; F56-Q60 HydrophobicContact CZ-CG 4.2Å; F56-Q60 PolarHBondContact O-N 2.86Å; I57-Q60 PolarHBondContact O-N 2.89Å; Q58-Q60 VanDerWaalsContact C-N 3.28Å; Q58-Q60 PolarHBondContact O-N 3.43Å
61	Y	38.1	Very low	35.5	Very low	193 Å²	193	128.2 Å²	128.2	76%	0.757	66%	0.656	S	S	*	*	H	α-helix	trans	-91.8	-38.4	172.9	-88.6	-91	0	0	0	112.4	I57 Q58 S63	I57-Y61 PolarHBondContact O-N 3.24Å; Q58-Y61 PolarHBondContact O-N 2.91Å; Q58-Y61 VanDerWaalsContact O-N 3.08Å; Y61-S63 PolarHBondContact O-N 2.84Å
62	D	38	Very low	35.2	Very low	112 Å²	112	128.3 Å²	128.3	60%	0.599	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	27	-178.3	-55.7	-29.9	0	0	0	113.6	Q58	Q58-D62 WeakPolarHBondContact CG-OD2 3.29Å; Q58-D62 PolarHBondContact NE2-OD1 3.23Å; Q58-D62 PolarHBondContact NE2-OD2 3.3Å; Q58-D62 PolarHBondContact O-N 3.27Å; Q58-D62 VanDerWaalsContact O-N 3.08Å
63	S	34	Very low	34.9	Very low	89 Å²	89	128.7 Å²	128.7	62%	0.622	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	34	-171.5	-174.1	0	0	0	0	113.6	K59 Y61	K59-S63 WeakPolarHBondContact O-CB 3.25Å; Y61-S63 PolarHBondContact O-N 2.84Å
64	K	32.2	Very low	34.7	Very low	182 Å²	182	130.4 Å²	130.4	79%	0.791	68%	0.68	S	S	*	*			trans	-135.3	60.6	173.3	-83	-162.8	171.9	-171	0	113.1	I66	K64-I66 PolarHBondContact O-N 3.45Å
65	D	30.7	Very low	34	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	70%	0.698	S	S	*	*			trans	-75.1	107.3	152.9	-69.4	-49.3	0	0	0	108.5
66	I	32.1	Very low	33.6	Very low	143 Å²	143	138.2 Å²	138.2	73%	0.733	71%	0.709	S	S	*	*			trans	-136.5	100.5	162.5	-60.4	-176.6	0	0	0	108.2	K64	K64-I66 PolarHBondContact O-N 3.45Å
67	D	30.1	Very low	33	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	71%	0.712	S	S	*	*			trans	26.9	131.4	153.8	-58.6	-41.1	0	0	0	122.2	S69	D67-S69 PolarHBondContact O-N 3.05Å; D67-S69 VanDerWaalsContact O-N 3.12Å
68	S	27.2	Very low	32.7	Very low	127 Å²	127	143.2 Å²	143.2	89%	0.888	73%	0.733	S	S	*	*	S	Bend	trans	-76.1	84.8	171.7	55.9	0	0	0	0	113.2
69	S	27.7	Very low	32.4	Very low	99 Å²	99	141.7 Å²	141.7	69%	0.692	73%	0.733	S	S	*	*			trans	-160.5	88.6	158.8	63.1	0	0	0	0	114.3	D67	D67-S69 PolarHBondContact O-N 3.05Å; D67-S69 VanDerWaalsContact O-N 3.12Å
70	L	31.3	Very low	32.1	Very low	180 Å²	180	141.2 Å²	141.2	94%	0.942	74%	0.738	S	S	*	*			trans	-162.3	95.5	144.8	-136.7	73.3	0	0	0	110.4
71	S	28.1	Very low	31.6	Very low	92 Å²	92	140.4 Å²	140.4	64%	0.643	74%	0.738	S	S	*	*			trans	-85.8	159.9	163.6	63.6	0	0	0	0	110.4
72	D	31.3	Very low	31.3	Very low	131 Å²	131	134.8 Å²	134.8	70%	0.701	73%	0.725	S	S	*	*			trans	76.1	142.4	159.7	-49.2	-54.8	0	0	0	120
73	N	30	Very low	30.9	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	74%	0.735	S	S	*	*			trans	66.6	71.5	156.2	-57.7	-35.2	0	0	0	119.4
74	H	31.6	Very low	30.8	Very low	182 Å²	182	139.3 Å²	139.3	84%	0.843	74%	0.741	S	S	*	*				-139.1	99.2	128.2	-114.1	-72	0	0	0	112.2	V76	H74-V76 PolarHBondContact O-N 3.01Å
75	Y	26.9	Very low	30.9	Very low	210 Å²	210	135 Å²	135	82%	0.824	73%	0.725	S	S	*	*			trans	-76.7	109.6	175.4	-175.4	-87.6	0	0	0	109.7
76	V	33.1	Very low	30.8	Very low	117 Å²	117	134 Å²	134	71%	0.709	72%	0.72	S	S	*	*			trans	-113.2	129.4	170.8	-179.3	0	0	0	0	108.5	H74 K78	H74-V76 PolarHBondContact O-N 3.01Å; V76-K78 PolarHBondContact O-N 3.22Å
77	D	28.9	Very low	30.7	Very low	101 Å²	101	134.7 Å²	134.7	54%	0.54	73%	0.725	S	S	.	*			trans	-69	118.2	-162.6	-171.5	3.2	0	0	0	113.3	S79	D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 WeakPolarHBondContact OD1-CB 3.02Å; D77-S79 PolarHBondContact OD1-N 3.49Å; D77-S79 PolarHBondContact OD1-OG 2.79Å; D77-S79 PolarHBondContact OD2-OG 2.89Å
78	K	35.5	Very low	30.8	Very low	189 Å²	189	131.8 Å²	131.8	82%	0.822	71%	0.708	S	S	*	*			trans	-86	2.4	178.6	-70.4	-177.1	177.1	176.5	0	113.7	V76 N80 L81	V76-K78 PolarHBondContact O-N 3.22Å; K78-N80 PolarHBondContact O-N 2.99Å; K78-L81 PolarHBondContact O-N 3.17Å
79	S	34	Very low	31.3	Very low	66 Å²	66	131.5 Å²	131.5	46%	0.462	70%	0.697	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.9	-20.3	-171.6	60	0	0	0	0	116.3	D77	D77-S79 VanDerWaalsContact C-N 3.33Å; D77-S79 WeakPolarHBondContact OD1-CB 3.02Å; D77-S79 PolarHBondContact OD1-N 3.49Å; D77-S79 PolarHBondContact OD1-OG 2.79Å; D77-S79 PolarHBondContact OD2-OG 2.89Å
80	N	33.2	Very low	32.2	Very low	156 Å²	156	133.4 Å²	133.4	83%	0.834	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	8.7	-174.9	-78.3	-66.7	0	0	0	115.8	K78	K78-N80 PolarHBondContact O-N 2.99Å
81	L	30.4	Very low	33.3	Very low	116 Å²	116	128.4 Å²	128.4	61%	0.607	67%	0.67	S	S	*	*	S	Bend	trans	-90.2	135.3	170.5	-163.4	70.9	0	0	0	110.5	K78 Q83 I85	K78-L81 PolarHBondContact O-N 3.17Å; L81-Q83 PolarHBondContact O-N 2.84Å; L81-Q83 VanDerWaalsContact O-N 3.13Å; L81-I85 HydrophobicContact CD1-CD1 4.46Å; L81-I85 HydrophobicContact CD2-CD1 3.98Å; L81-I85 HydrophobicContact CG-CD1 4Å
82	P	32	Very low	34.7	Very low	75 Å²	75	131.4 Å²	131.4	49%	0.487	67%	0.671	S	S	.	*			trans	-59.2	118.4	-178.6	-26.2	35.3	0	0	0	112.9	T84	P82-T84 PolarHBondContact O-N 2.94Å
83	Q	29.2	Very low	36.3	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.822	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	13.5	-173	-65.6	-179.3	-22.1	0	0	115.5	L81	L81-Q83 PolarHBondContact O-N 2.84Å; L81-Q83 VanDerWaalsContact O-N 3.13Å
84	T	31.9	Very low	38.4	Very low	119 Å²	119	121.2 Å²	121.2	73%	0.73	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	6.6	178.6	36.6	0	0	0	0	113.9	P82	P82-T84 PolarHBondContact O-N 2.94Å
85	I	34.4	Very low	40.5	Very low	91 Å²	91	115 Å²	115	47%	0.467	59%	0.594	S	S	.	*			trans	-82.9	-23.1	-177.7	-65.4	170.4	0	0	0	112.7	L81 N87 M88	L81-I85 HydrophobicContact CD1-CD1 4.46Å; L81-I85 HydrophobicContact CD2-CD1 3.98Å; L81-I85 HydrophobicContact CG-CD1 4Å; I85-N87 PolarHBondContact O-N 3.18Å; I85-M88 PolarHBondContact O-N 3.26Å
86	N	28.6	Very low	42.9	Very low	146 Å²	146	105 Å²	105	78%	0.781	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	32.5	-171.3	-62.2	11.4	0	0	0	115
87	N	29	Very low	44.8	Very low	157 Å²	157	105.9 Å²	105.9	84%	0.84	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.7	25.7	177.4	-128.8	-1	0	0	0	112.2	I85	I85-N87 PolarHBondContact O-N 3.18Å
88	M	33.6	Very low	46.8	Very low	88 Å²	88	108 Å²	108	43%	0.433	55%	0.554	S	S	.	*			trans	-130.3	25.6	-172.6	-60.6	-162.1	74.9	0	0	114.6	I85 N90 H145	I85-M88 PolarHBondContact O-N 3.26Å; M88-N90 PolarHBondContact O-N 2.87Å; M88-H145 WeakPolarHBondContact CE-NE2 3.41Å
89	D	37.5	Very low	48.3	Very low	122 Å²	122	101.5 Å²	101.5	65%	0.652	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.9	-178.8	-88	-63.1	0	0	0	115.9	F91	D89-F91 PolarHBondContact O-N 2.04Å
90	N	45.4	Very low	49.8	Very low	138 Å²	138	101.2 Å²	101.2	74%	0.738	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-15.1	-172.7	-68.9	-4.8	0	0	0	115	M88	M88-N90 PolarHBondContact O-N 2.87Å
91	F	54.1	Low	51.3	Low	76 Å²	76	99.5 Å²	99.5	33%	0.333	51%	0.512	S	S	.	.			trans	-110.1	58.9	-174.2	-64.8	-64.4	0	0	0	113.4	D89 F134	D89-F91 PolarHBondContact O-N 2.04Å; F91-F134 HydrophobicContact CB-CD2 4Å; F91-F134 HydrophobicContact CB-CE2 4.37Å; F91-F134 HydrophobicContact CB-CG 4.43Å; F91-F134 HydrophobicContact CD1-CD1 4.21Å; F91-F134 HydrophobicContact CD1-CD2 4.07Å; F91-F134 HydrophobicContact CD1-CE1 4Å; F91-F134 AromaticContact CD1-CE2 3.88Å; F91-F134 HydrophobicContact CD1-CE2 3.88Å; F91-F134 HydrophobicContact CD1-CG 4.24Å; F91-F134 AromaticContact CD1-CZ 3.83Å; F91-F134 HydrophobicContact CD1-CZ 3.83Å; F91-F134 HydrophobicContact CE1-CE1 4.29Å; F91-F134 HydrophobicContact CE1-CZ 4.36Å; F91-F134 HydrophobicContact CG-CD2 4.45Å
92	K	57.6	Low	53	Low	155 Å²	155	94.7 Å²	94.7	67%	0.674	49%	0.487	S	S	*	.			trans	-75.5	130.7	174.8	-66.5	179.3	-177.5	176.6	0	110.6
93	S	66.1	Low	54.4	Low	51 Å²	51	93 Å²	93	36%	0.357	47%	0.474	S	S	.	.			trans	-69.7	143.6	170.2	49.2	0	0	0	0	110.6	I132	S93-I132 CarbonylContact C-O 3.39Å; S93-I132 VanDerWaalsContact CA-O 3.29Å; S93-I132 WeakPolarHBondContact CA-O 3.3Å; S93-I132 WeakPolarHBondContact CB-O 3.27Å
94	C	74.1	Confident	55.8	Low	14 Å²	14	88.7 Å²	88.7	10%	0.095	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.3	179.5	-163	0	0	0	0	111	C106 I131 I132	C94-C106 HydrophobicContact CB-CB 3.75Å; C94-C106 WeakPolarHBondContact CB-SG 3.13Å; C94-C106 WeakPolarHBondContact SG-CA 3.34Å; C94-C106 WeakPolarHBondContact SG-CB 2.99Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 3.46Å; C94-I131 CarbonylContact O-C 3.43Å; C94-I131 WeakPolarHBondContact O-CA 3.11Å; C94-I131 WeakPolarHBondContact O-CG2 3.04Å; C94-I132 PolarHBondContact N-O 3.37Å; C94-I132 PolarHBondContact O-N 3.25Å
95	I	74.9	Confident	57.1	Low	51 Å²	51	90 Å²	90	26%	0.262	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.3	-178.5	-53.3	170.3	0	0	0	109.6	F97 I131 Y167	I95-F97 HydrophobicContact CB-CE2 4.07Å; I95-F97 HydrophobicContact CG2-CD2 4.06Å; I95-F97 HydrophobicContact CG2-CE1 4.32Å; I95-F97 HydrophobicContact CG2-CE2 3.42Å; I95-F97 VanDerWaalsContact CG2-CE2 3.42Å; I95-F97 HydrophobicContact CG2-CZ 3.58Å; I95-I131 HydrophobicContact CG1-CD1 4.46Å; I95-I131 HydrophobicContact CG1-CG1 4.24Å; I95-I131 HydrophobicContact CG1-CG2 4.09Å; I95-Y167 WeakPolarHBondContact CD1-O 3.46Å; I95-Y167 HydrophobicContact CG2-CD1 3.77Å; I95-Y167 HydrophobicContact CG2-CE1 4.21Å
96	C	76.9	Confident	58.4	Low	2 Å²	2	86.1 Å²	86.1	1%	0.014	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.1	179.8	-69.1	0	0	0	0	112.7	C102 L128 P129 F130	C96-C102 WeakPolarHBondContact CA-SG 3.44Å; C96-C102 HydrophobicContact CB-CB 3.55Å; C96-C102 WeakPolarHBondContact CB-SG 2.96Å; C96-C102 WeakPolarHBondContact SG-CB 2.99Å; C96-C102 CovalentContact SG-SG 2.03Å; C96-C102 PolarHBondContact SG-SG 2.78Å; C96-L128 HydrophobicContact CB-CD2 4.39Å; C96-L128 WeakPolarHBondContact O-CD2 3.48Å; C96-P129 CarbonylContact O-C 3.57Å; C96-P129 WeakPolarHBondContact O-CA 3.03Å; C96-P129 WeakPolarHBondContact O-CB 3.31Å; C96-F130 HydrophobicContact CB-CD1 4.34Å; C96-F130 HydrophobicContact CB-CD2 3.77Å; C96-F130 HydrophobicContact CB-CE1 4.14Å; C96-F130 HydrophobicContact CB-CE2 3.53Å; C96-F130 HydrophobicContact CB-CG 4.18Å; C96-F130 HydrophobicContact CB-CZ 3.74Å; C96-F130 PolarHBondContact N-O 3.14Å; C96-F130 PolarHBondContact O-N 2.03Å; C96-F130 WeakPolarHBondContact SG-CE2 3.23Å
97	F	74.4	Confident	59.9	Low	135 Å²	135	81 Å²	81	59%	0.592	42%	0.421	S	S	*	.	S	Bend	trans	-95.9	-26.5	173.5	-63.9	-84.5	0	0	0	113.7	I95 P129	I95-F97 HydrophobicContact CB-CE2 4.07Å; I95-F97 HydrophobicContact CG2-CD2 4.06Å; I95-F97 HydrophobicContact CG2-CE1 4.32Å; I95-F97 HydrophobicContact CG2-CE2 3.42Å; I95-F97 VanDerWaalsContact CG2-CE2 3.42Å; I95-F97 HydrophobicContact CG2-CZ 3.58Å; F97-P129 HydrophobicContact CD1-CB 3.69Å; F97-P129 HydrophobicContact CD1-CG 4.33Å; F97-P129 HydrophobicContact CE1-CB 4.05Å; F97-P129 HydrophobicContact CE1-CG 4.41Å; F97-P129 HydrophobicContact CG-CB 4.35Å
98	K	70	Confident	61.4	Low	146 Å²	146	80.9 Å²	80.9	64%	0.635	42%	0.42	S	S	*	.	S	Bend	trans	-140.4	133.6	180	-65.7	179.7	-178.2	172.6	0	110.5	C102	K98-C102 VanDerWaalsContact O-CB 3.26Å; K98-C102 WeakPolarHBondContact O-CB 3.45Å; K98-C102 PolarHBondContact O-N 3.46Å
99	W	66.7	Low	62.9	Low	52 Å²	52	78.4 Å²	78.4	20%	0.197	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	141.2	175.1	-172.8	-96.1	0	0	0	110	L103 I116 Y120 L123 L128 F130	W99-L103 HydrophobicContact CE3-CD1 3.99Å; W99-L103 HydrophobicContact CH2-CD1 3.69Å; W99-L103 HydrophobicContact CZ3-CD1 3.37Å; W99-I116 HydrophobicContact CH2-CG2 4.27Å; W99-Y120 HydrophobicContact CH2-CD2 4.08Å; W99-Y120 HydrophobicContact CH2-CE2 4.25Å; W99-Y120 AromaticContact CZ2-CD2 3.52Å; W99-Y120 HydrophobicContact CZ2-CD2 3.52Å; W99-Y120 HydrophobicContact CZ2-CE1 4.47Å; W99-Y120 AromaticContact CZ2-CE2 3.46Å; W99-Y120 HydrophobicContact CZ2-CE2 3.46Å; W99-Y120 VanDerWaalsContact CZ2-CE2 3.46Å; W99-Y120 HydrophobicContact CZ2-CG 4.06Å; W99-Y120 AromaticContact CZ2-CZ 3.97Å; W99-Y120 AromaticContact NE1-CZ 3.97Å; W99-L123 HydrophobicContact CH2-CB 3.43Å; W99-L123 VanDerWaalsContact CH2-CB 3.43Å; W99-L123 HydrophobicContact CH2-CD1 3.77Å; W99-L123 HydrophobicContact CH2-CG 4.24Å; W99-L123 HydrophobicContact CZ2-CB 3.82Å; W99-L123 HydrophobicContact CZ3-CB 3.87Å; W99-L123 HydrophobicContact CZ3-CD1 4.23Å; W99-L128 HydrophobicContact CB-CD1 4.33Å; W99-F130 HydrophobicContact CE3-CE1 4.37Å; W99-F130 AromaticContact CE3-CZ 3.85Å; W99-F130 HydrophobicContact CE3-CZ 3.85Å; W99-F130 AromaticContact CZ3-CZ 3.92Å; W99-F130 HydrophobicContact CZ3-CZ 3.92Å
100	P	65.2	Low	64.3	Low	59 Å²	59	77.5 Å²	77.5	38%	0.383	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80.7	-12.3	-2.4	34.3	-36	0	0	0	113.9	C102 L103	P100-C102 PolarHBondContact O-N 3.37Å; P100-L103 PolarHBondContact O-N 3.19Å
101	N	65.3	Low	65.3	Low	121 Å²	121	72.9 Å²	72.9	65%	0.647	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-24.1	-164.7	-62.2	20	0	0	0	115.4	L103 S104	N101-L103 PolarHBondContact O-N 3.1Å; N101-S104 PolarHBondContact O-N 3.24Å; N101-S104 PolarHBondContact O-OG 3.2Å; N101-S104 VanDerWaalsContact O-OG 3.08Å
102	C	65.9	Low	66	Low	14 Å²	14	69.5 Å²	69.5	10%	0.095	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-37.5	170.9	178.1	0	0	0	0	113.8	C96 K98 P100 S104 N105 C106	C96-C102 WeakPolarHBondContact CA-SG 3.44Å; C96-C102 HydrophobicContact CB-CB 3.55Å; C96-C102 WeakPolarHBondContact CB-SG 2.96Å; C96-C102 WeakPolarHBondContact SG-CB 2.99Å; C96-C102 CovalentContact SG-SG 2.03Å; C96-C102 PolarHBondContact SG-SG 2.78Å; K98-C102 VanDerWaalsContact O-CB 3.26Å; K98-C102 WeakPolarHBondContact O-CB 3.45Å; K98-C102 PolarHBondContact O-N 3.46Å; P100-C102 PolarHBondContact O-N 3.37Å; C102-S104 PolarHBondContact O-N 3.21Å; C102-S104 VanDerWaalsContact O-N 3.08Å; C102-N105 PolarHBondContact O-N 3.12Å; C102-C106 PolarHBondContact SG-SG 2.89Å
103	L	61.1	Low	66.7	Low	41 Å²	41	67.1 Å²	67.1	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-48.7	-43.7	-173.4	-102	64.3	0	0	0	112.2	W99 P100 N101 N105 C106 T107 I116	W99-L103 HydrophobicContact CE3-CD1 3.99Å; W99-L103 HydrophobicContact CH2-CD1 3.69Å; W99-L103 HydrophobicContact CZ3-CD1 3.37Å; P100-L103 PolarHBondContact O-N 3.19Å; N101-L103 PolarHBondContact O-N 3.1Å; L103-N105 PolarHBondContact O-N 2.9Å; L103-N105 VanDerWaalsContact O-N 3.12Å; L103-C106 PolarHBondContact O-N 3.45Å; L103-T107 HydrophobicContact CB-CG2 4.11Å; L103-T107 HydrophobicContact CG-CG2 4.14Å; L103-T107 WeakPolarHBondContact O-CB 3Å; L103-T107 VanDerWaalsContact O-CG2 3.22Å; L103-T107 WeakPolarHBondContact O-CG2 3.35Å; L103-T107 PolarHBondContact O-N 3.41Å; L103-T107 PolarHBondContact O-OG1 2.55Å; L103-I116 HydrophobicContact CD1-CG2 3.81Å; L103-I116 HydrophobicContact CD2-CG2 3.79Å; L103-I116 HydrophobicContact CG-CG2 3.86Å
104	S	59.7	Low	66.8	Low	85 Å²	85	65.8 Å²	65.8	59%	0.594	35%	0.35	S	S	*	.	H	α-helix	trans	-57.9	-30.8	-175.5	59.5	0	0	0	0	113.9	N101 C102	N101-S104 PolarHBondContact O-N 3.24Å; N101-S104 PolarHBondContact O-OG 3.2Å; N101-S104 VanDerWaalsContact O-OG 3.08Å; C102-S104 PolarHBondContact O-N 3.21Å; C102-S104 VanDerWaalsContact O-N 3.08Å
105	N	58.7	Low	66.7	Low	145 Å²	145	65.2 Å²	65.2	78%	0.775	35%	0.346	S	S	*	.	H	α-helix	trans	-84.7	-19	175.2	-86.1	7.9	0	0	0	113.6	C102 L103	C102-N105 PolarHBondContact O-N 3.12Å; L103-N105 PolarHBondContact O-N 2.9Å; L103-N105 VanDerWaalsContact O-N 3.12Å
106	C	62.7	Low	66.7	Low	10 Å²	10	63 Å²	63	7%	0.068	34%	0.335	C	S	.	.	H	α-helix	trans	-93	-28	177.7	-49.9	0	0	0	0	113.6	C94 C102 L103 N108 L112 I116	C94-C106 HydrophobicContact CB-CB 3.75Å; C94-C106 WeakPolarHBondContact CB-SG 3.13Å; C94-C106 WeakPolarHBondContact SG-CA 3.34Å; C94-C106 WeakPolarHBondContact SG-CB 2.99Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 3.46Å; C102-C106 PolarHBondContact SG-SG 2.89Å; L103-C106 PolarHBondContact O-N 3.45Å; C106-N108 VanDerWaalsContact C-N 3.26Å; C106-N108 PolarHBondContact O-N 2.92Å; C106-L112 HydrophobicContact CB-CD2 3.92Å; C106-I116 HydrophobicContact CB-CD1 4.49Å
107	T	59.7	Low	66.5	Low	40 Å²	40	69.4 Å²	69.4	25%	0.245	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	16	-159.5	46.7	0	0	0	0	116.8	L103 D109 K113	L103-T107 HydrophobicContact CB-CG2 4.11Å; L103-T107 HydrophobicContact CG-CG2 4.14Å; L103-T107 WeakPolarHBondContact O-CB 3Å; L103-T107 VanDerWaalsContact O-CG2 3.22Å; L103-T107 WeakPolarHBondContact O-CG2 3.35Å; L103-T107 PolarHBondContact O-N 3.41Å; L103-T107 PolarHBondContact O-OG1 2.55Å; T107-D109 VanDerWaalsContact C-N 3.31Å; T107-K113 HydrophobicContact CG2-CG 4.39Å
108	N	60.3	Low	66.6	Low	153 Å²	153	66.5 Å²	66.5	82%	0.818	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.1	170.8	-71.5	-8.7	0	0	0	112.4	C106	C106-N108 VanDerWaalsContact C-N 3.26Å; C106-N108 PolarHBondContact O-N 2.92Å
109	D	65.3	Low	66.9	Low	36 Å²	36	60.2 Å²	60.2	19%	0.193	33%	0.331	C	S	.	.	S	Bend	trans	-85.1	118	169.5	172.7	19.1	0	0	0	110.8	T107 L111 L112 K113	T107-D109 VanDerWaalsContact C-N 3.31Å; D109-L111 VanDerWaalsContact C-N 3.29Å; D109-L111 PolarHBondContact O-N 2.72Å; D109-L111 WeakPolarHBondContact OD1-CB 3.26Å; D109-L111 PolarHBondContact OD1-N 2.67Å; D109-L112 HydrophobicContact CB-CB 3.93Å; D109-L112 PolarHBondContact O-N 3.32Å; D109-L112 VanDerWaalsContact OD2-CB 3.24Å; D109-L112 WeakPolarHBondContact OD2-CB 3.47Å; D109-L112 PolarHBondContact OD2-N 2.69Å; D109-K113 WeakPolarHBondContact O-CB 3.33Å; D109-K113 PolarHBondContact O-N 3.44Å; D109-K113 VanDerWaalsContact O-N 3.07Å
110	P	65.5	Low	67.4	Low	103 Å²	103	62.8 Å²	62.8	67%	0.669	34%	0.342	S	S	*	.	H	α-helix	trans	-66.5	-26.7	177.5	28.3	-35.6	0	0	0	113.7	S114	P110-S114 PolarHBondContact O-N 2.03Å
111	L	66.3	Low	67.9	Low	41 Å²	41	62.2 Å²	62.2	22%	0.215	35%	0.347	C	S	.	.	H	α-helix	trans	-72.4	-47.8	177.1	174	153.6	0	0	0	110.2	D109 K113 S114 V115 F134	D109-L111 VanDerWaalsContact C-N 3.29Å; D109-L111 PolarHBondContact O-N 2.72Å; D109-L111 WeakPolarHBondContact OD1-CB 3.26Å; D109-L111 PolarHBondContact OD1-N 2.67Å; L111-K113 PolarHBondContact O-N 3.01Å; L111-S114 PolarHBondContact O-N 2.99Å; L111-S114 PolarHBondContact O-OG 3.18Å; L111-V115 WeakPolarHBondContact O-CG2 3.36Å; L111-V115 PolarHBondContact O-N 3.37Å; L111-F134 HydrophobicContact CD2-CE1 4.39Å; L111-F134 HydrophobicContact CD2-CZ 4.37Å
112	L	70.4	Confident	68.4	Low	6 Å²	6	59.1 Å²	59.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-35.5	172.7	-177.1	54.9	0	0	0	112.3	C106 D109 V115 I116 I132	C106-L112 HydrophobicContact CB-CD2 3.92Å; D109-L112 HydrophobicContact CB-CB 3.93Å; D109-L112 PolarHBondContact O-N 3.32Å; D109-L112 VanDerWaalsContact OD2-CB 3.24Å; D109-L112 WeakPolarHBondContact OD2-CB 3.47Å; D109-L112 PolarHBondContact OD2-N 2.69Å; L112-V115 PolarHBondContact O-N 2.97Å; L112-I116 HydrophobicContact CD1-CD1 3.89Å; L112-I116 HydrophobicContact CD1-CG1 4.03Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 3.77Å; L112-I116 HydrophobicContact CG-CG1 4.35Å; L112-I116 WeakPolarHBondContact O-CB 3.44Å; L112-I116 VanDerWaalsContact O-CG1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.14Å; L112-I116 PolarHBondContact O-N 3.15Å; L112-I132 HydrophobicContact CD1-CB 4.38Å; L112-I132 HydrophobicContact CD1-CD1 3.93Å; L112-I132 HydrophobicContact CD1-CG2 3.73Å
113	K	70.5	Confident	69	Low	105 Å²	105	58.5 Å²	58.5	46%	0.457	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-43.7	177.6	-170.1	173.1	-178.3	173.9	0	113.2	T107 D109 L111 Q117	T107-K113 HydrophobicContact CG2-CG 4.39Å; D109-K113 WeakPolarHBondContact O-CB 3.33Å; D109-K113 PolarHBondContact O-N 3.44Å; D109-K113 VanDerWaalsContact O-N 3.07Å; L111-K113 PolarHBondContact O-N 3.01Å; K113-Q117 WeakPolarHBondContact O-CG 3.06Å; K113-Q117 PolarHBondContact O-N 3.32Å; K113-Q117 VanDerWaalsContact O-N 3.13Å
114	S	70.1	Confident	69.7	Low	23 Å²	23	59.3 Å²	59.3	16%	0.161	33%	0.332	C	S	.	.	H	α-helix	trans	-73.9	-30.7	179.4	71.1	0	0	0	0	113	P110 L111 T118 Q265	P110-S114 PolarHBondContact O-N 2.03Å; L111-S114 PolarHBondContact O-N 2.99Å; L111-S114 PolarHBondContact O-OG 3.18Å; S114-T118 PolarHBondContact O-N 3.25Å; S114-T118 VanDerWaalsContact O-N 3.07Å; S114-T118 PolarHBondContact O-OG1 2.04Å; S114-Q265 VanDerWaalsContact CB-OE1 3.26Å; S114-Q265 PolarHBondContact OG-OE1 3.21Å
115	V	72.1	Confident	70.5	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-48.8	171.2	175.4	0	0	0	0	111.4	L111 L112 Q117 T118 D119 L261 C263 P272	L111-V115 WeakPolarHBondContact O-CG2 3.36Å; L111-V115 PolarHBondContact O-N 3.37Å; L112-V115 PolarHBondContact O-N 2.97Å; V115-Q117 VanDerWaalsContact C-N 3.26Å; V115-Q117 PolarHBondContact O-N 3.02Å; V115-T118 WeakPolarHBondContact O-CA 3.04Å; V115-T118 WeakPolarHBondContact O-CB 3.14Å; V115-T118 PolarHBondContact O-N 3.07Å; V115-D119 PolarHBondContact O-N 2.89Å; V115-L261 HydrophobicContact CG1-CB 3.41Å; V115-L261 VanDerWaalsContact CG1-CB 3.41Å; V115-L261 HydrophobicContact CG1-CD1 3.81Å; V115-L261 HydrophobicContact CG1-CG 4.21Å; V115-C263 HydrophobicContact CG2-CB 3.51Å; V115-C263 WeakPolarHBondContact CG2-SG 3.49Å; V115-P272 HydrophobicContact CB-CG 4.45Å; V115-P272 HydrophobicContact CG1-CG 4Å; V115-P272 HydrophobicContact CG2-CG 4.07Å
116	I	74.1	Confident	71.5	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-36.9	178	-75.1	173.3	0	0	0	111.4	W99 L103 C106 L112 Y120 L123 I132	W99-I116 HydrophobicContact CH2-CG2 4.27Å; L103-I116 HydrophobicContact CD1-CG2 3.81Å; L103-I116 HydrophobicContact CD2-CG2 3.79Å; L103-I116 HydrophobicContact CG-CG2 3.86Å; C106-I116 HydrophobicContact CB-CD1 4.49Å; L112-I116 HydrophobicContact CD1-CD1 3.89Å; L112-I116 HydrophobicContact CD1-CG1 4.03Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 3.77Å; L112-I116 HydrophobicContact CG-CG1 4.35Å; L112-I116 WeakPolarHBondContact O-CB 3.44Å; L112-I116 VanDerWaalsContact O-CG1 3.3Å; L112-I116 WeakPolarHBondContact O-CG1 3.14Å; L112-I116 PolarHBondContact O-N 3.15Å; I116-Y120 VanDerWaalsContact O-CA 3.32Å; I116-Y120 WeakPolarHBondContact O-CA 3.48Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.16Å; I116-L123 HydrophobicContact CB-CD1 4.44Å; I116-L123 HydrophobicContact CG1-CD1 4.23Å; I116-L123 HydrophobicContact CG2-CD1 4.39Å; I116-I132 HydrophobicContact CD1-CD1 4.06Å; I116-I132 HydrophobicContact CG1-CD1 4.06Å
117	Q	73.2	Confident	72.2	Confident	137 Å²	137	56.3 Å²	56.3	64%	0.64	31%	0.311	S	S	*	.	H	α-helix	trans	-66.6	-35.7	172.8	-74.2	175.1	-28.9	0	0	112.7	K113 V115	K113-Q117 WeakPolarHBondContact O-CG 3.06Å; K113-Q117 PolarHBondContact O-N 3.32Å; K113-Q117 VanDerWaalsContact O-N 3.13Å; V115-Q117 VanDerWaalsContact C-N 3.26Å; V115-Q117 PolarHBondContact O-N 3.02Å
118	T	74.9	Confident	73.1	Confident	75 Å²	75	56.8 Å²	56.8	46%	0.46	31%	0.311	S	S	.	.	H	α-helix	trans	-70.9	-42.7	-180	-57.9	0	0	0	0	112	S114 V115 H262	S114-T118 PolarHBondContact O-N 3.25Å; S114-T118 VanDerWaalsContact O-N 3.07Å; S114-T118 PolarHBondContact O-OG1 2.04Å; V115-T118 WeakPolarHBondContact O-CA 3.04Å; V115-T118 WeakPolarHBondContact O-CB 3.14Å; V115-T118 PolarHBondContact O-N 3.07Å; T118-H262 HydrophobicContact CG2-CB 4.07Å; T118-H262 WeakPolarHBondContact CG2-O 3.15Å
119	D	76.3	Confident	74.1	Confident	13 Å²	13	51.7 Å²	51.7	7%	0.07	29%	0.286	C	S	.	.	S	Bend	trans	-98.5	10.3	-177.9	-82.5	-39.5	0	0	0	114.4	V115 G121 Y122 L123 L261 H262	V115-D119 PolarHBondContact O-N 2.89Å; D119-G121 VanDerWaalsContact C-N 3.31Å; D119-G121 PolarHBondContact O-N 3.1Å; D119-G121 VanDerWaalsContact O-N 3.13Å; D119-Y122 WeakPolarHBondContact O-CA 3.5Å; D119-Y122 WeakPolarHBondContact O-CB 3.44Å; D119-Y122 PolarHBondContact O-N 3.43Å; D119-L123 HydrophobicContact CB-CD1 4.23Å; D119-L123 HydrophobicContact CB-CG 4.2Å; D119-L123 WeakPolarHBondContact O-CG 3.34Å; D119-L123 PolarHBondContact O-N 3.24Å; D119-L261 HydrophobicContact CB-CD2 4.26Å; D119-L261 WeakPolarHBondContact OD2-CA 3.04Å; D119-L261 WeakPolarHBondContact OD2-CD2 3.35Å; D119-H262 IonicContact OD1-CE1 3.96Å; D119-H262 IonicContact OD1-CG 3.97Å; D119-H262 IonicContact OD1-ND1 2.72Å; D119-H262 PolarHBondContact OD1-ND1 3.14Å; D119-H262 IonicContact OD2-CG 3.78Å; D119-H262 PolarHBondContact OD2-N 3Å; D119-H262 IonicContact OD2-ND1 2.61Å; D119-H262 PolarHBondContact OD2-ND1 3.32Å
120	Y	78.1	Confident	75.1	Confident	106 Å²	106	50 Å²	50	42%	0.416	28%	0.277	S	S	.	.	H	α-helix	trans	-48.7	-46.6	-172.1	-172.5	-88.1	0	0	0	114	W99 I116 Y122 L123 S124	W99-Y120 HydrophobicContact CH2-CD2 4.08Å; W99-Y120 HydrophobicContact CH2-CE2 4.25Å; W99-Y120 AromaticContact CZ2-CD2 3.52Å; W99-Y120 HydrophobicContact CZ2-CD2 3.52Å; W99-Y120 HydrophobicContact CZ2-CE1 4.47Å; W99-Y120 AromaticContact CZ2-CE2 3.46Å; W99-Y120 HydrophobicContact CZ2-CE2 3.46Å; W99-Y120 VanDerWaalsContact CZ2-CE2 3.46Å; W99-Y120 HydrophobicContact CZ2-CG 4.06Å; W99-Y120 AromaticContact CZ2-CZ 3.97Å; W99-Y120 AromaticContact NE1-CZ 3.97Å; I116-Y120 VanDerWaalsContact O-CA 3.32Å; I116-Y120 WeakPolarHBondContact O-CA 3.48Å; I116-Y120 WeakPolarHBondContact O-CB 3.48Å; I116-Y120 PolarHBondContact O-N 3.16Å; Y120-Y122 PolarHBondContact O-N 3.25Å; Y120-L123 PolarHBondContact O-N 3.44Å; Y120-S124 PolarHBondContact O-N 3.33Å
121	G	75.1	Confident	76.1	Confident	48 Å²	48	45.1 Å²	45.1	50%	0.495	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-35.2	178.7	0	0	0	0	0	113.4	D119 S124 N125	D119-G121 VanDerWaalsContact C-N 3.31Å; D119-G121 PolarHBondContact O-N 3.1Å; D119-G121 VanDerWaalsContact O-N 3.13Å; G121-S124 PolarHBondContact O-OG 2.95Å; G121-N125 PolarHBondContact O-ND2 3.32Å
122	Y	76.3	Confident	77.1	Confident	55 Å²	55	43.3 Å²	43.3	22%	0.216	24%	0.236	C	C	.	.	H	α-helix	trans	-70.5	-50.1	173	178	-115.4	0	0	0	110.9	D119 Y120 S124 N125 V126 R259 L274	D119-Y122 WeakPolarHBondContact O-CA 3.5Å; D119-Y122 WeakPolarHBondContact O-CB 3.44Å; D119-Y122 PolarHBondContact O-N 3.43Å; Y120-Y122 PolarHBondContact O-N 3.25Å; Y122-S124 PolarHBondContact O-N 3.42Å; Y122-N125 PolarHBondContact O-N 2.85Å; Y122-V126 HydrophobicContact CD1-CG2 4.22Å; Y122-V126 HydrophobicContact CE1-CG2 3.96Å; Y122-V126 PolarHBondContact O-N 3.49Å; Y122-R259 VanDerWaalsContact CZ-NH1 3.28Å; Y122-R259 PolarHBondContact OH-NH1 2.87Å; Y122-L274 HydrophobicContact CE1-CD2 3.88Å
123	L	78.4	Confident	77.8	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.5	-35.1	-179.4	-68.1	171.9	0	0	0	112.8	W99 I116 D119 Y120 N125 V126 F130 L261 L274	W99-L123 HydrophobicContact CH2-CB 3.43Å; W99-L123 VanDerWaalsContact CH2-CB 3.43Å; W99-L123 HydrophobicContact CH2-CD1 3.77Å; W99-L123 HydrophobicContact CH2-CG 4.24Å; W99-L123 HydrophobicContact CZ2-CB 3.82Å; W99-L123 HydrophobicContact CZ3-CB 3.87Å; W99-L123 HydrophobicContact CZ3-CD1 4.23Å; I116-L123 HydrophobicContact CB-CD1 4.44Å; I116-L123 HydrophobicContact CG1-CD1 4.23Å; I116-L123 HydrophobicContact CG2-CD1 4.39Å; D119-L123 HydrophobicContact CB-CD1 4.23Å; D119-L123 HydrophobicContact CB-CG 4.2Å; D119-L123 WeakPolarHBondContact O-CG 3.34Å; D119-L123 PolarHBondContact O-N 3.24Å; Y120-L123 PolarHBondContact O-N 3.44Å; L123-N125 PolarHBondContact O-N 2.93Å; L123-V126 PolarHBondContact O-N 3.45Å; L123-F130 HydrophobicContact CD2-CE2 4.37Å; L123-F130 HydrophobicContact CD2-CZ 4.27Å; L123-L261 HydrophobicContact CD2-CD2 4.16Å; L123-L274 HydrophobicContact CD2-CD1 3.78Å; L123-L274 HydrophobicContact CD2-CD2 4.09Å
124	S	76	Confident	78.4	Confident	59 Å²	59	39.3 Å²	39.3	41%	0.413	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.8	175.4	73.9	0	0	0	0	114.9	Y120 G121 Y122	Y120-S124 PolarHBondContact O-N 3.33Å; G121-S124 PolarHBondContact O-OG 2.95Å; Y122-S124 PolarHBondContact O-N 3.42Å
125	N	76.4	Confident	79.2	Confident	131 Å²	131	38.2 Å²	38.2	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	0.7	180	-69.4	-77.6	0	0	0	113.3	G121 Y122 L123	G121-N125 PolarHBondContact O-ND2 3.32Å; Y122-N125 PolarHBondContact O-N 2.85Å; L123-N125 PolarHBondContact O-N 2.93Å
126	V	78.9	Confident	79.6	Confident	12 Å²	12	41.7 Å²	41.7	7%	0.073	23%	0.225	C	C	.	.	S	Bend	trans	-76.4	136.5	-178.3	172.8	0	0	0	0	110.4	Y122 L123 L128 F130 L274 F276	Y122-V126 HydrophobicContact CD1-CG2 4.22Å; Y122-V126 HydrophobicContact CE1-CG2 3.96Å; Y122-V126 PolarHBondContact O-N 3.49Å; L123-V126 PolarHBondContact O-N 3.45Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-L128 VanDerWaalsContact O-N 3.14Å; V126-F130 HydrophobicContact CB-CD1 4.04Å; V126-F130 HydrophobicContact CB-CE1 4.25Å; V126-F130 HydrophobicContact CG1-CB 4.04Å; V126-F130 HydrophobicContact CG1-CD1 3.59Å; V126-F130 HydrophobicContact CG1-CE1 4.28Å; V126-F130 HydrophobicContact CG1-CG 4.05Å; V126-L274 HydrophobicContact CG1-CD2 4.04Å; V126-L274 HydrophobicContact CG2-CD2 3.73Å; V126-F276 HydrophobicContact CG1-CB 3.68Å; V126-F276 HydrophobicContact CG1-CD1 4.45Å; V126-F276 HydrophobicContact CG1-CD2 4.44Å; V126-F276 HydrophobicContact CG1-CG 3.95Å
127	P	78.7	Confident	80	Confident	34 Å²	34	41.5 Å²	41.5	22%	0.221	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-55.3	118.1	172.4	-27.8	36.3	0	0	0	112.9	P277 R279	P127-P277 HydrophobicContact CB-CG 4.48Å; P127-P277 WeakPolarHBondContact CB-O 3.45Å; P127-R279 HydrophobicContact CB-CG 4Å; P127-R279 HydrophobicContact CG-CG 4.34Å
128	L	77.7	Confident	80.1	Confident	49 Å²	49	37.1 Å²	37.1	26%	0.257	21%	0.211	S	C	.	.	S	Bend	trans	-76.9	149.7	170.8	-70.3	167	0	0	0	111.3	C96 W99 V126 F130 R279	C96-L128 HydrophobicContact CB-CD2 4.39Å; C96-L128 WeakPolarHBondContact O-CD2 3.48Å; W99-L128 HydrophobicContact CB-CD1 4.33Å; V126-L128 PolarHBondContact O-N 2.89Å; V126-L128 VanDerWaalsContact O-N 3.14Å; L128-F130 HydrophobicContact CD2-CD1 3.71Å; L128-F130 HydrophobicContact CD2-CE1 3.73Å; L128-R279 PolarHBondContact O-NH2 3.29Å
129	P	82.8	Confident	79.9	Confident	46 Å²	46	36.8 Å²	36.8	30%	0.299	20%	0.201	S	C	.	.	S	Bend	cis	-76.1	157	-9.3	34	-36.1	0	0	0	112	C96 F97 Y167 P277	C96-P129 CarbonylContact O-C 3.57Å; C96-P129 WeakPolarHBondContact O-CA 3.03Å; C96-P129 WeakPolarHBondContact O-CB 3.31Å; F97-P129 HydrophobicContact CD1-CB 3.69Å; F97-P129 HydrophobicContact CD1-CG 4.33Å; F97-P129 HydrophobicContact CE1-CB 4.05Å; F97-P129 HydrophobicContact CE1-CG 4.41Å; F97-P129 HydrophobicContact CG-CB 4.35Å; P129-Y167 HydrophobicContact CB-CE1 4.09Å; P129-Y167 HydrophobicContact CG-CD1 4.4Å; P129-Y167 HydrophobicContact CG-CE1 4.02Å; P129-Y167 PolarHBondContact O-OH 2.89Å; P129-P277 WeakPolarHBondContact O-CD 3.47Å
130	F	85.5	Confident	79.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161	173.2	63.2	-109	0	0	0	112.2	C96 W99 L123 V126 L128 I132 Y167 L274 L275 F276	C96-F130 HydrophobicContact CB-CD1 4.34Å; C96-F130 HydrophobicContact CB-CD2 3.77Å; C96-F130 HydrophobicContact CB-CE1 4.14Å; C96-F130 HydrophobicContact CB-CE2 3.53Å; C96-F130 HydrophobicContact CB-CG 4.18Å; C96-F130 HydrophobicContact CB-CZ 3.74Å; C96-F130 PolarHBondContact N-O 3.14Å; C96-F130 PolarHBondContact O-N 2.03Å; C96-F130 WeakPolarHBondContact SG-CE2 3.23Å; W99-F130 HydrophobicContact CE3-CE1 4.37Å; W99-F130 AromaticContact CE3-CZ 3.85Å; W99-F130 HydrophobicContact CE3-CZ 3.85Å; W99-F130 AromaticContact CZ3-CZ 3.92Å; W99-F130 HydrophobicContact CZ3-CZ 3.92Å; L123-F130 HydrophobicContact CD2-CE2 4.37Å; L123-F130 HydrophobicContact CD2-CZ 4.27Å; V126-F130 HydrophobicContact CB-CD1 4.04Å; V126-F130 HydrophobicContact CB-CE1 4.25Å; V126-F130 HydrophobicContact CG1-CB 4.04Å; V126-F130 HydrophobicContact CG1-CD1 3.59Å; V126-F130 HydrophobicContact CG1-CE1 4.28Å; V126-F130 HydrophobicContact CG1-CG 4.05Å; L128-F130 HydrophobicContact CD2-CD1 3.71Å; L128-F130 HydrophobicContact CD2-CE1 3.73Å; F130-I132 HydrophobicContact CD2-CG1 4.39Å; F130-I132 HydrophobicContact CE2-CD1 4.35Å; F130-I132 HydrophobicContact CE2-CG1 4.23Å; F130-Y167 WeakPolarHBondContact CA-OH 3.46Å; F130-L274 HydrophobicContact CB-CD1 4.14Å; F130-L274 HydrophobicContact CD2-CD1 3.39Å; F130-L274 HydrophobicContact CE2-CD1 3.84Å; F130-L274 HydrophobicContact CG-CD1 3.85Å; F130-L275 CarbonylContact C-O 3.55Å; F130-L275 WeakPolarHBondContact CA-O 3.34Å; F130-L275 WeakPolarHBondContact CB-O 3.3Å; F130-F276 HydrophobicContact CB-CB 3.88Å
131	I	87	Confident	78.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	141.3	173.1	-39.5	-175.4	0	0	0	109.4	C94 I95 L133 Y167 L274 L275	C94-I131 CarbonylContact O-C 3.43Å; C94-I131 WeakPolarHBondContact O-CA 3.11Å; C94-I131 WeakPolarHBondContact O-CG2 3.04Å; I95-I131 HydrophobicContact CG1-CD1 4.46Å; I95-I131 HydrophobicContact CG1-CG1 4.24Å; I95-I131 HydrophobicContact CG1-CG2 4.09Å; I131-L133 HydrophobicContact CG2-CB 4.22Å; I131-L133 HydrophobicContact CG2-CD2 4.35Å; I131-L133 HydrophobicContact CG2-CG 4.5Å; I131-Y167 HydrophobicContact CD1-CD1 3.87Å; I131-Y167 HydrophobicContact CD1-CD2 3.82Å; I131-Y167 HydrophobicContact CD1-CE1 3.97Å; I131-Y167 HydrophobicContact CD1-CE2 3.88Å; I131-Y167 HydrophobicContact CD1-CG 3.77Å; I131-Y167 HydrophobicContact CG1-CD1 3.69Å; I131-Y167 HydrophobicContact CG1-CD2 4.29Å; I131-Y167 HydrophobicContact CG1-CE1 3.37Å; I131-Y167 HydrophobicContact CG1-CE2 3.99Å; I131-Y167 HydrophobicContact CG1-CG 4.11Å; I131-L274 WeakPolarHBondContact O-CA 3.43Å; I131-L275 HydrophobicContact CB-CB 4.38Å; I131-L275 HydrophobicContact CD1-CD2 4.11Å; I131-L275 PolarHBondContact N-O 3.38Å; I131-L275 PolarHBondContact O-N 2.84Å
132	I	85.7	Confident	77.3	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.6	158.7	-51.5	174.9	0	0	0	107.9	S93 C94 L112 I116 F130 L261 P272 H273 L274	S93-I132 CarbonylContact C-O 3.39Å; S93-I132 VanDerWaalsContact CA-O 3.29Å; S93-I132 WeakPolarHBondContact CA-O 3.3Å; S93-I132 WeakPolarHBondContact CB-O 3.27Å; C94-I132 PolarHBondContact N-O 3.37Å; C94-I132 PolarHBondContact O-N 3.25Å; L112-I132 HydrophobicContact CD1-CB 4.38Å; L112-I132 HydrophobicContact CD1-CD1 3.93Å; L112-I132 HydrophobicContact CD1-CG2 3.73Å; I116-I132 HydrophobicContact CD1-CD1 4.06Å; I116-I132 HydrophobicContact CG1-CD1 4.06Å; F130-I132 HydrophobicContact CD2-CG1 4.39Å; F130-I132 HydrophobicContact CE2-CD1 4.35Å; F130-I132 HydrophobicContact CE2-CG1 4.23Å; I132-L261 HydrophobicContact CD1-CD1 4.18Å; I132-L261 HydrophobicContact CG1-CD1 4.3Å; I132-L261 HydrophobicContact CG2-CD1 3.84Å; I132-P272 HydrophobicContact CG2-CB 3.88Å; I132-H273 WeakPolarHBondContact CA-O 3.38Å; I132-L274 HydrophobicContact CG1-CD1 4.08Å
133	L	86	Confident	76.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	167.8	-172.3	54.4	69.9	0	0	0	112.1	I131 P135 L164 T165 H273 L275	I131-L133 HydrophobicContact CG2-CB 4.22Å; I131-L133 HydrophobicContact CG2-CD2 4.35Å; I131-L133 HydrophobicContact CG2-CG 4.5Å; L133-P135 HydrophobicContact CD1-CG 3.74Å; L133-L164 HydrophobicContact CD1-CD2 3.66Å; L133-L164 HydrophobicContact CD2-CB 4.49Å; L133-L164 HydrophobicContact CD2-CD2 4.29Å; L133-T165 WeakPolarHBondContact CD2-O 3.31Å; L133-H273 HydrophobicContact CD1-CB 4.02Å; L133-H273 PolarHBondContact N-O 3.29Å; L133-H273 PolarHBondContact O-N 2.87Å; L133-L275 HydrophobicContact CD2-CB 4.06Å; L133-L275 HydrophobicContact CD2-CD2 4.06Å
134	F	83.8	Confident	75.2	Confident	23 Å²	23	59.5 Å²	59.5	10%	0.101	31%	0.306	C	S	.	.			trans	-118.8	96.4	178.5	-64	-88	0	0	0	109.9	F91 L111 P272	F91-F134 HydrophobicContact CB-CD2 4Å; F91-F134 HydrophobicContact CB-CE2 4.37Å; F91-F134 HydrophobicContact CB-CG 4.43Å; F91-F134 HydrophobicContact CD1-CD1 4.21Å; F91-F134 HydrophobicContact CD1-CD2 4.07Å; F91-F134 HydrophobicContact CD1-CE1 4Å; F91-F134 AromaticContact CD1-CE2 3.88Å; F91-F134 HydrophobicContact CD1-CE2 3.88Å; F91-F134 HydrophobicContact CD1-CG 4.24Å; F91-F134 AromaticContact CD1-CZ 3.83Å; F91-F134 HydrophobicContact CD1-CZ 3.83Å; F91-F134 HydrophobicContact CE1-CE1 4.29Å; F91-F134 HydrophobicContact CE1-CZ 4.36Å; F91-F134 HydrophobicContact CG-CD2 4.45Å; L111-F134 HydrophobicContact CD2-CE1 4.39Å; L111-F134 HydrophobicContact CD2-CZ 4.37Å; F134-P272 HydrophobicContact CD1-CB 4.19Å; F134-P272 HydrophobicContact CE1-CB 3.66Å; F134-P272 HydrophobicContact CE1-CG 4.3Å; F134-P272 HydrophobicContact CZ-CB 3.95Å
135	P	86.3	Confident	74.4	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	30%	0.296	C	S	.	.			trans	-61.9	136.7	-177.6	-19.6	31.6	0	0	0	111.8	L133 T147 F162 L164 L245 I258 H273	L133-P135 HydrophobicContact CD1-CG 3.74Å; P135-T147 HydrophobicContact CB-CG2 3.99Å; P135-T147 HydrophobicContact CG-CG2 4.19Å; P135-F162 HydrophobicContact CB-CD1 4.48Å; P135-L164 HydrophobicContact CB-CD2 3.64Å; P135-L164 HydrophobicContact CG-CD2 3.7Å; P135-L245 HydrophobicContact CB-CD1 3.67Å; P135-L245 HydrophobicContact CG-CD1 3.95Å; P135-I258 HydrophobicContact CG-CD1 4.49Å; P135-H273 WeakPolarHBondContact CD-ND1 3.47Å; P135-H273 HydrophobicContact CG-CB 3.96Å; P135-H273 WeakPolarHBondContact CG-ND1 3.39Å
136	Y	80.2	Confident	74.1	Confident	73 Å²	73	53.7 Å²	53.7	29%	0.286	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.3	175.9	64.1	-87.7	0	0	0	112.6	F162 W163	Y136-F162 WeakPolarHBondContact O-CA 3.37Å; Y136-W163 HydrophobicContact CD1-CB 3.8Å; Y136-W163 HydrophobicContact CD2-CB 3.84Å; Y136-W163 AromaticContact CD2-CD1 3.57Å; Y136-W163 AromaticContact CD2-CG 3.83Å; Y136-W163 HydrophobicContact CD2-CG 3.83Å; Y136-W163 HydrophobicContact CE1-CB 3.37Å; Y136-W163 HydrophobicContact CE1-CG 4.16Å; Y136-W163 HydrophobicContact CE2-CB 3.41Å; Y136-W163 VanDerWaalsContact CE2-CB 3.41Å; Y136-W163 AromaticContact CE2-CD1 3.31Å; Y136-W163 AromaticContact CE2-CD2 3.75Å; Y136-W163 HydrophobicContact CE2-CD2 3.75Å; Y136-W163 AromaticContact CE2-CG 3.23Å; Y136-W163 HydrophobicContact CE2-CG 3.23Å; Y136-W163 AromaticContact CE2-NE1 3.85Å; Y136-W163 HydrophobicContact CG-CB 4.02Å; Y136-W163 HydrophobicContact CG-CG 4.5Å; Y136-W163 AromaticContact CZ-CD2 3.87Å; Y136-W163 AromaticContact CZ-CG 3.43Å; Y136-W163 VanDerWaalsContact CZ-CG 3.43Å; Y136-W163 PolarHBondContact N-O 2.03Å; Y136-W163 PolarHBondContact O-N 3.37Å; Y136-W163 WeakPolarHBondContact OH-CB 3.33Å
137	Q	83.7	Confident	74	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.9	179.6	-167.3	177.1	105.9	0	0	111.1	R139 D146 S148 F162	Q137-R139 HydrophobicContact CG-CG 4.24Å; Q137-R139 PolarHBondContact O-N 2.89Å; Q137-D146 WeakPolarHBondContact CB-O 3.4Å; Q137-D146 PolarHBondContact NE2-O 3.14Å; Q137-S148 PolarHBondContact NE2-O 2.88Å; Q137-S148 PolarHBondContact OE1-O 3.02Å; Q137-F162 HydrophobicContact CB-CD1 3.9Å; Q137-F162 HydrophobicContact CB-CE1 3.58Å; Q137-F162 HydrophobicContact CB-CZ 4.31Å; Q137-F162 HydrophobicContact CG-CD1 4.25Å; Q137-F162 HydrophobicContact CG-CE1 3.86Å; Q137-F162 HydrophobicContact CG-CZ 4.11Å
138	A	74.3	Confident	74	Confident	44 Å²	44	53.5 Å²	53.5	36%	0.364	27%	0.268	S	S	.	.			trans	-76.3	95.3	177.4	0	0	0	0	0	111.5	R161	A138-R161 HydrophobicContact CB-CB 4.1Å; A138-R161 PolarHBondContact N-O 3.1Å
139	R	71.5	Confident	74.3	Confident	68 Å²	68	51.1 Å²	51.1	26%	0.257	26%	0.256	S	S	.	.			trans	-108.5	132.9	174.4	-64.3	178.1	173.3	170.4	2.5	110.5	Q137 S141 R142 D146 S148	Q137-R139 HydrophobicContact CG-CG 4.24Å; Q137-R139 PolarHBondContact O-N 2.89Å; R139-S141 PolarHBondContact O-N 3.49Å; R139-R142 WeakPolarHBondContact CB-O 3.45Å; R139-D146 IonicContact CZ-OD2 2.79Å; R139-D146 IonicContact NH1-OD2 2.76Å; R139-D146 PolarHBondContact NH1-OD2 3.33Å; R139-D146 IonicContact NH2-OD1 2.71Å; R139-D146 IonicContact NH2-OD2 3.63Å; R139-D146 PolarHBondContact NH2-OD2 3.47Å; R139-S148 PolarHBondContact NH2-O 3.34Å
140	K	60.6	Low	74.3	Confident	230 Å²	230	52.5 Å²	52.5	100%	1	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-6.4	-179.1	-70.6	-168.1	175.1	-170.2	0	116.7
141	S	55.7	Low	74	Confident	109 Å²	109	53.1 Å²	53.1	76%	0.762	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.7	-25.4	-170.2	179.9	0	0	0	0	115	R139	R139-S141 PolarHBondContact O-N 3.49Å
142	R	57	Low	73.4	Confident	187 Å²	187	65.5 Å²	65.5	71%	0.706	31%	0.313	S	S	*	.			trans	-161.2	134.9	171.6	-67.2	-166.5	175.1	171.1	-3.3	109.2	R139 N144	R139-R142 WeakPolarHBondContact CB-O 3.45Å; R142-N144 VanDerWaalsContact CB-OD1 3.23Å; R142-N144 WeakPolarHBondContact CB-OD1 3.19Å; R142-N144 PolarHBondContact O-N 2.66Å
143	N	54	Low	72.9	Confident	111 Å²	111	74.8 Å²	74.8	59%	0.594	36%	0.357	S	S	*	.			trans	-82.1	93	167.6	-70.2	-13.1	0	0	0	108.6
144	N	57.1	Low	72.3	Confident	63 Å²	63	77.2 Å²	77.2	34%	0.337	38%	0.383	S	S	.	.			trans	-107.1	150	170.5	-78.2	64	0	0	0	109	R142 D146	R142-N144 VanDerWaalsContact CB-OD1 3.23Å; R142-N144 WeakPolarHBondContact CB-OD1 3.19Å; R142-N144 PolarHBondContact O-N 2.66Å; N144-D146 HydrophobicContact CB-CB 4.3Å; N144-D146 PolarHBondContact O-N 2.77Å
145	H	60.1	Low	72.1	Confident	44 Å²	44	78.2 Å²	78.2	20%	0.204	40%	0.4	C	S	.	.			trans	-71.7	16.9	174.3	-63	-89.5	0	0	0	113.8	M88 T147 T269	M88-H145 WeakPolarHBondContact CE-NE2 3.41Å; H145-T147 PolarHBondContact O-N 2.99Å; H145-T269 CarbonylContact C-O 3.59Å; H145-T269 WeakPolarHBondContact CB-O 2.97Å; H145-T269 VanDerWaalsContact O-O 3.07Å
146	D	69.5	Low	72	Confident	24 Å²	24	80.1 Å²	80.1	13%	0.128	41%	0.407	C	S	.	.			trans	-65.8	112.6	-179	-178.2	-0.4	0	0	0	111.5	Q137 R139 N144 S148 T269	Q137-D146 WeakPolarHBondContact CB-O 3.4Å; Q137-D146 PolarHBondContact NE2-O 3.14Å; R139-D146 IonicContact CZ-OD2 2.79Å; R139-D146 IonicContact NH1-OD2 2.76Å; R139-D146 PolarHBondContact NH1-OD2 3.33Å; R139-D146 IonicContact NH2-OD1 2.71Å; R139-D146 IonicContact NH2-OD2 3.63Å; R139-D146 PolarHBondContact NH2-OD2 3.47Å; N144-D146 HydrophobicContact CB-CB 4.3Å; N144-D146 PolarHBondContact O-N 2.77Å; D146-S148 VanDerWaalsContact C-N 3.34Å; D146-S148 WeakPolarHBondContact OD1-CA 3.01Å; D146-S148 WeakPolarHBondContact OD1-CB 3.39Å; D146-S148 PolarHBondContact OD1-N 3.4Å; D146-T269 HydrophobicContact CB-CG2 3.81Å
147	T	76.9	Confident	72.2	Confident	4 Å²	4	80.5 Å²	80.5	3%	0.025	41%	0.41	C	S	.	.			trans	-84.6	-4.9	178.8	53.4	0	0	0	0	114.5	P135 H145 F162 G244 L245	P135-T147 HydrophobicContact CB-CG2 3.99Å; P135-T147 HydrophobicContact CG-CG2 4.19Å; H145-T147 PolarHBondContact O-N 2.99Å; T147-F162 HydrophobicContact CG2-CE1 4.22Å; T147-F162 WeakPolarHBondContact O-CZ 3.47Å; T147-G244 WeakPolarHBondContact OG1-CA 3.42Å; T147-L245 HydrophobicContact CG2-CD1 4.23Å; T147-L245 HydrophobicContact CG2-CG 4.43Å
148	S	78.7	Confident	72.4	Confident	38 Å²	38	86.2 Å²	86.2	27%	0.266	44%	0.44	S	S	.	.			trans	-71.3	140.2	171.3	-171.1	0	0	0	0	111.5	Q137 R139 D146 L150	Q137-S148 PolarHBondContact NE2-O 2.88Å; Q137-S148 PolarHBondContact OE1-O 3.02Å; R139-S148 PolarHBondContact NH2-O 3.34Å; D146-S148 VanDerWaalsContact C-N 3.34Å; D146-S148 WeakPolarHBondContact OD1-CA 3.01Å; D146-S148 WeakPolarHBondContact OD1-CB 3.39Å; D146-S148 PolarHBondContact OD1-N 3.4Å; S148-L150 VanDerWaalsContact OG-CB 3.28Å; S148-L150 WeakPolarHBondContact OG-CB 3.38Å; S148-L150 PolarHBondContact OG-N 2.77Å; S148-L150 VanDerWaalsContact OG-N 3.15Å
149	T	84.8	Confident	73.1	Confident	0 Å²	0	88.8 Å²	88.8	0%	0	45%	0.448	C	S	.	.			trans	-104	11.8	166.3	55.3	0	0	0	0	112.6	G151 Y156 F157 T160 F162 Y214 T241	T149-G151 PolarHBondContact O-N 2.02Å; T149-Y156 CarbonylContact O-C 3.56Å; T149-Y156 VanDerWaalsContact O-CA 3.3Å; T149-Y156 WeakPolarHBondContact O-CA 3.05Å; T149-F157 WeakPolarHBondContact O-CD2 3.46Å; T149-F157 PolarHBondContact O-N 2.92Å; T149-T160 HydrophobicContact CG2-CG2 3.74Å; T149-F162 HydrophobicContact CG2-CE2 4.13Å; T149-F162 HydrophobicContact CG2-CZ 4.25Å; T149-Y214 WeakPolarHBondContact CB-OH 3.31Å; T149-Y214 HydrophobicContact CG2-CE2 4.18Å; T149-Y214 VanDerWaalsContact OG1-CE2 3.23Å; T149-Y214 WeakPolarHBondContact OG1-CE2 3.46Å; T149-Y214 PolarHBondContact OG1-OH 3.42Å; T149-T241 HydrophobicContact CG2-CG2 3.85Å; T149-T241 PolarHBondContact OG1-OG1 3.37Å
150	L	83	Confident	73.9	Confident	75 Å²	75	86.3 Å²	86.3	39%	0.393	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-72.2	114	174.6	-173	64	0	0	0	109.9	S148 G154 Y156	S148-L150 VanDerWaalsContact OG-CB 3.28Å; S148-L150 WeakPolarHBondContact OG-CB 3.38Å; S148-L150 PolarHBondContact OG-N 2.77Å; S148-L150 VanDerWaalsContact OG-N 3.15Å; L150-G154 VanDerWaalsContact CD1-O 3.22Å; L150-G154 WeakPolarHBondContact CD1-O 3.14Å; L150-Y156 HydrophobicContact CB-CD1 4.22Å; L150-Y156 HydrophobicContact CB-CE1 3.91Å; L150-Y156 HydrophobicContact CD1-CD1 4.39Å; L150-Y156 HydrophobicContact CD1-CD2 4.08Å; L150-Y156 HydrophobicContact CD1-CE1 4.12Å; L150-Y156 HydrophobicContact CD1-CE2 3.77Å; L150-Y156 HydrophobicContact CD1-CG 4.38Å
151	G	77.7	Confident	75.3	Confident	12 Å²	12	82 Å²	82	12%	0.124	42%	0.417	C	S	.	.			trans	-74.2	159.5	173.8	0	0	0	0	0	112.3	T149 Q153 G154 G155	T149-G151 PolarHBondContact O-N 2.02Å; G151-Q153 PolarHBondContact O-N 2.86Å; G151-G154 PolarHBondContact O-N 2.87Å; G151-G155 WeakPolarHBondContact CA-O 3.3Å; G151-G155 PolarHBondContact N-O 3Å
152	R	76	Confident	77	Confident	261 Å²	261	76.8 Å²	76.8	99%	0.985	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-15.8	179.5	-66.8	-176.8	178.3	175.8	-1.3	115.3
153	Q	73.8	Confident	78.4	Confident	199 Å²	199	70.5 Å²	70.5	93%	0.93	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	13.2	177.1	-66.9	175.9	-30	0	0	113	G151 G155	G151-Q153 PolarHBondContact O-N 2.86Å; Q153-G155 PolarHBondContact O-N 2.95Å
154	G	74.2	Confident	80	Confident	55 Å²	55	65.3 Å²	65.3	57%	0.567	33%	0.33	S	S	*	.	S	Bend	trans	76.7	-5	-179.4	0	0	0	0	0	115.3	L150 G151	L150-G154 VanDerWaalsContact CD1-O 3.22Å; L150-G154 WeakPolarHBondContact CD1-O 3.14Å; G151-G154 PolarHBondContact O-N 2.87Å
155	G	79.1	Confident	81.3	Confident	44 Å²	44	64.4 Å²	64.4	45%	0.454	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-92.3	136.8	175	0	0	0	0	0	112.9	G151 Q153	G151-G155 WeakPolarHBondContact CA-O 3.3Å; G151-G155 PolarHBondContact N-O 3Å; Q153-G155 PolarHBondContact O-N 2.95Å
156	Y	84	Confident	82.3	Confident	40 Å²	40	62.7 Å²	62.7	16%	0.157	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-76.9	135.5	174.3	-68.1	-91	0	0	0	112	T149 L150 K210 C212	T149-Y156 CarbonylContact O-C 3.56Å; T149-Y156 VanDerWaalsContact O-CA 3.3Å; T149-Y156 WeakPolarHBondContact O-CA 3.05Å; L150-Y156 HydrophobicContact CB-CD1 4.22Å; L150-Y156 HydrophobicContact CB-CE1 3.91Å; L150-Y156 HydrophobicContact CD1-CD1 4.39Å; L150-Y156 HydrophobicContact CD1-CD2 4.08Å; L150-Y156 HydrophobicContact CD1-CE1 4.12Å; L150-Y156 HydrophobicContact CD1-CE2 3.77Å; L150-Y156 HydrophobicContact CD1-CG 4.38Å; Y156-K210 HydrophobicContact CE2-CB 3.74Å; Y156-K210 HydrophobicContact CE2-CD 4.3Å; Y156-K210 HydrophobicContact CE2-CG 4.09Å; Y156-C212 HydrophobicContact CD1-CB 3.82Å; Y156-C212 HydrophobicContact CE1-CB 3.52Å; Y156-C212 HydrophobicContact CE2-CB 4.38Å; Y156-C212 HydrophobicContact CG-CB 4.36Å
157	F	85.3	Confident	82.6	Confident	82 Å²	82	63.8 Å²	63.8	36%	0.36	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-56.7	138.7	-179.1	-60.1	-56.1	0	0	0	112.7	T149 Y214	T149-F157 WeakPolarHBondContact O-CD2 3.46Å; T149-F157 PolarHBondContact O-N 2.92Å; F157-Y214 WeakPolarHBondContact O-CE1 3.32Å; F157-Y214 PolarHBondContact O-OH 3.4Å
158	L	86.2	Confident	82.5	Confident	121 Å²	121	68 Å²	68	63%	0.634	34%	0.344	S	S	*	.	S	Bend	trans	-68	-43.1	179	-175.7	68.7	0	0	0	112.2	K178	L158-K178 HydrophobicContact CD1-CB 4.18Å; L158-K178 VanDerWaalsContact O-CB 3.27Å; L158-K178 WeakPolarHBondContact O-CB 3.38Å; L158-K178 PolarHBondContact O-N 2.7Å
159	N	89.3	Confident	82.2	Confident	98 Å²	98	74.1 Å²	74.1	52%	0.524	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.7	176.7	-65.3	-19.6	0	0	0	108.7	L176 Q177	N159-L176 CarbonylContact C-O 3.58Å; N159-L176 WeakPolarHBondContact CA-O 3.46Å; N159-Q177 WeakPolarHBondContact OD1-CG 3.36Å
160	T	89.6	Confident	82	Confident	15 Å²	15	77.5 Å²	77.5	9%	0.092	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	168.3	173.8	-168.8	0	0	0	0	110.7	T149 F162 L176 Y214	T149-T160 HydrophobicContact CG2-CG2 3.74Å; T160-F162 HydrophobicContact CG2-CD2 4.04Å; T160-F162 HydrophobicContact CG2-CE2 3.79Å; T160-L176 HydrophobicContact CG2-CB 3.74Å; T160-L176 HydrophobicContact CG2-CD1 4Å; T160-L176 HydrophobicContact CG2-CG 4.33Å; T160-L176 PolarHBondContact N-O 2.79Å; T160-L176 PolarHBondContact O-N 3Å; T160-Y214 HydrophobicContact CG2-CD1 4.43Å; T160-Y214 HydrophobicContact CG2-CE1 4.34Å
161	R	90	Very high	82	Confident	139 Å²	139	75.2 Å²	75.2	53%	0.525	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.4	170.1	-62.5	-178.5	-173.6	177.3	1.5	109.7	A138 V173 L174	A138-R161 HydrophobicContact CB-CB 4.1Å; A138-R161 PolarHBondContact N-O 3.1Å; R161-V173 HydrophobicContact CB-CG1 4.35Å; R161-L174 WeakPolarHBondContact CA-O 3.41Å
162	F	89.9	Confident	82.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	154.2	168.3	-73.1	-81.3	0	0	0	110.1	P135 Y136 Q137 T147 T149 T160 V173 L174 L176 T241 L245	P135-F162 HydrophobicContact CB-CD1 4.48Å; Y136-F162 WeakPolarHBondContact O-CA 3.37Å; Q137-F162 HydrophobicContact CB-CD1 3.9Å; Q137-F162 HydrophobicContact CB-CE1 3.58Å; Q137-F162 HydrophobicContact CB-CZ 4.31Å; Q137-F162 HydrophobicContact CG-CD1 4.25Å; Q137-F162 HydrophobicContact CG-CE1 3.86Å; Q137-F162 HydrophobicContact CG-CZ 4.11Å; T147-F162 HydrophobicContact CG2-CE1 4.22Å; T147-F162 WeakPolarHBondContact O-CZ 3.47Å; T149-F162 HydrophobicContact CG2-CE2 4.13Å; T149-F162 HydrophobicContact CG2-CZ 4.25Å; T160-F162 HydrophobicContact CG2-CD2 4.04Å; T160-F162 HydrophobicContact CG2-CE2 3.79Å; F162-V173 CarbonylContact O-C 3.59Å; F162-V173 WeakPolarHBondContact O-CA 2.98Å; F162-L174 HydrophobicContact CB-CB 4.23Å; F162-L174 HydrophobicContact CB-CD1 4.33Å; F162-L174 PolarHBondContact N-O 3.5Å; F162-L174 VanDerWaalsContact N-O 3.15Å; F162-L174 PolarHBondContact O-N 2.76Å; F162-L176 HydrophobicContact CD2-CD1 3.64Å; F162-L176 HydrophobicContact CD2-CG 4.49Å; F162-L176 HydrophobicContact CE2-CD1 3.98Å; F162-T241 HydrophobicContact CE2-CG2 4.06Å; F162-T241 HydrophobicContact CZ-CG2 4.29Å; F162-L245 HydrophobicContact CB-CD1 4.35Å; F162-L245 HydrophobicContact CD1-CD1 3.77Å; F162-L245 HydrophobicContact CD2-CD1 4.17Å; F162-L245 HydrophobicContact CD2-CD2 4.03Å; F162-L245 HydrophobicContact CE1-CD1 3.95Å; F162-L245 HydrophobicContact CE1-CG 4.45Å; F162-L245 HydrophobicContact CE2-CD1 4.32Å; F162-L245 HydrophobicContact CE2-CD2 3.82Å; F162-L245 HydrophobicContact CE2-CG 4.38Å; F162-L245 HydrophobicContact CG-CD1 3.85Å; F162-L245 HydrophobicContact CZ-CD1 4.19Å; F162-L245 HydrophobicContact CZ-CD2 4.17Å; F162-L245 HydrophobicContact CZ-CG 4.26Å
163	W	87.4	Confident	83.1	Confident	55 Å²	55	62.7 Å²	62.7	21%	0.208	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.2	176.2	-57.1	76.2	0	0	0	109.4	Y136 T171 I172 V173 Q221	Y136-W163 HydrophobicContact CD1-CB 3.8Å; Y136-W163 HydrophobicContact CD2-CB 3.84Å; Y136-W163 AromaticContact CD2-CD1 3.57Å; Y136-W163 AromaticContact CD2-CG 3.83Å; Y136-W163 HydrophobicContact CD2-CG 3.83Å; Y136-W163 HydrophobicContact CE1-CB 3.37Å; Y136-W163 HydrophobicContact CE1-CG 4.16Å; Y136-W163 HydrophobicContact CE2-CB 3.41Å; Y136-W163 VanDerWaalsContact CE2-CB 3.41Å; Y136-W163 AromaticContact CE2-CD1 3.31Å; Y136-W163 AromaticContact CE2-CD2 3.75Å; Y136-W163 HydrophobicContact CE2-CD2 3.75Å; Y136-W163 AromaticContact CE2-CG 3.23Å; Y136-W163 HydrophobicContact CE2-CG 3.23Å; Y136-W163 AromaticContact CE2-NE1 3.85Å; Y136-W163 HydrophobicContact CG-CB 4.02Å; Y136-W163 HydrophobicContact CG-CG 4.5Å; Y136-W163 AromaticContact CZ-CD2 3.87Å; Y136-W163 AromaticContact CZ-CG 3.43Å; Y136-W163 VanDerWaalsContact CZ-CG 3.43Å; Y136-W163 PolarHBondContact N-O 2.03Å; Y136-W163 PolarHBondContact O-N 3.37Å; Y136-W163 WeakPolarHBondContact OH-CB 3.33Å; W163-T171 HydrophobicContact CB-CG2 4.21Å; W163-T171 HydrophobicContact CE3-CG2 3.83Å; W163-I172 WeakPolarHBondContact CA-O 3.4Å; W163-V173 HydrophobicContact CD2-CG2 4Å; W163-V173 HydrophobicContact CE3-CG2 3.54Å; W163-V173 HydrophobicContact CH2-CG2 3.94Å; W163-V173 HydrophobicContact CZ2-CG2 4.38Å; W163-V173 HydrophobicContact CZ3-CG2 3.49Å; W163-V173 VanDerWaalsContact CZ3-CG2 3.49Å; W163-Q221 HydrophobicContact CZ3-CB 4.24Å; W163-Q221 HydrophobicContact CZ3-CG 3.98Å
164	L	88.3	Confident	84	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.6	-177.9	-60.9	171.4	0	0	0	109.9	L133 P135 T171 I172 L174 I249 I258	L133-L164 HydrophobicContact CD1-CD2 3.66Å; L133-L164 HydrophobicContact CD2-CB 4.49Å; L133-L164 HydrophobicContact CD2-CD2 4.29Å; P135-L164 HydrophobicContact CB-CD2 3.64Å; P135-L164 HydrophobicContact CG-CD2 3.7Å; L164-T171 CarbonylContact O-C 3.51Å; L164-T171 WeakPolarHBondContact O-CA 3.49Å; L164-I172 HydrophobicContact CB-CD1 4.44Å; L164-I172 HydrophobicContact CB-CG1 3.94Å; L164-I172 HydrophobicContact CD1-CD1 4.41Å; L164-I172 PolarHBondContact N-O 2.87Å; L164-I172 PolarHBondContact O-N 3.37Å; L164-L174 HydrophobicContact CD1-CD1 3.67Å; L164-L174 HydrophobicContact CD1-CD2 4.36Å; L164-L174 HydrophobicContact CD1-CG 4.04Å; L164-L174 HydrophobicContact CG-CD1 4.42Å; L164-I249 HydrophobicContact CD1-CD1 3.41Å; L164-I249 VanDerWaalsContact CD1-CD1 3.41Å; L164-I258 HydrophobicContact CD1-CD1 3.99Å; L164-I258 HydrophobicContact CD2-CD1 3.96Å
165	T	83.4	Confident	84.9	Confident	44 Å²	44	54.6 Å²	54.6	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.6	172.4	-51.2	0	0	0	0	110	L133	L133-T165 WeakPolarHBondContact CD2-O 3.31Å
166	M	81.5	Confident	85.5	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.034	25%	0.249	C	C	.	.			trans	-90.9	174	-178.3	-62	-62.4	-73.9	0	0	112.2	N168 Q169 Q170 I172 Y251 Y256 L275	M166-N168 WeakPolarHBondContact CB-OD1 3.43Å; M166-N168 PolarHBondContact O-N 2.75Å; M166-N168 VanDerWaalsContact O-N 3.11Å; M166-Q169 WeakPolarHBondContact O-CA 3.24Å; M166-Q169 PolarHBondContact O-N 3.46Å; M166-Q170 WeakPolarHBondContact CB-O 3.19Å; M166-Q170 PolarHBondContact N-O 2.93Å; M166-I172 HydrophobicContact CE-CD1 4.43Å; M166-I172 HydrophobicContact CG-CD1 4.07Å; M166-I172 HydrophobicContact CG-CG1 3.96Å; M166-I172 HydrophobicContact CG-CG2 3.86Å; M166-I172 HydrophobicContact SD-CD1 3.52Å; M166-I172 VanDerWaalsContact SD-CD1 3.52Å; M166-I172 HydrophobicContact SD-CG1 3.98Å; M166-Y251 HydrophobicContact CE-CD1 4.43Å; M166-Y256 HydrophobicContact CE-CD2 4.11Å; M166-Y256 HydrophobicContact CE-CE1 4.27Å; M166-Y256 HydrophobicContact CE-CE2 3.79Å; M166-Y256 HydrophobicContact CE-CG 4.48Å; M166-L275 HydrophobicContact CE-CD2 4.2Å; M166-L275 HydrophobicContact SD-CD2 3.66Å
167	Y	76.4	Confident	85.9	Confident	48 Å²	48	55 Å²	55	19%	0.188	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.6	-176.6	-61.6	-92.5	0	0	0	114	I95 P129 F130 I131 Q169 Y256 L275	I95-Y167 WeakPolarHBondContact CD1-O 3.46Å; I95-Y167 HydrophobicContact CG2-CD1 3.77Å; I95-Y167 HydrophobicContact CG2-CE1 4.21Å; P129-Y167 HydrophobicContact CB-CE1 4.09Å; P129-Y167 HydrophobicContact CG-CD1 4.4Å; P129-Y167 HydrophobicContact CG-CE1 4.02Å; P129-Y167 PolarHBondContact O-OH 2.89Å; F130-Y167 WeakPolarHBondContact CA-OH 3.46Å; I131-Y167 HydrophobicContact CD1-CD1 3.87Å; I131-Y167 HydrophobicContact CD1-CD2 3.82Å; I131-Y167 HydrophobicContact CD1-CE1 3.97Å; I131-Y167 HydrophobicContact CD1-CE2 3.88Å; I131-Y167 HydrophobicContact CD1-CG 3.77Å; I131-Y167 HydrophobicContact CG1-CD1 3.69Å; I131-Y167 HydrophobicContact CG1-CD2 4.29Å; I131-Y167 HydrophobicContact CG1-CE1 3.37Å; I131-Y167 HydrophobicContact CG1-CE2 3.99Å; I131-Y167 HydrophobicContact CG1-CG 4.11Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å; Y167-Y256 HydrophobicContact CD2-CE1 4.27Å; Y167-Y256 HydrophobicContact CE2-CD1 4.05Å; Y167-Y256 AromaticContact CE2-CE1 3.59Å; Y167-Y256 HydrophobicContact CE2-CE1 3.59Å; Y167-L275 HydrophobicContact CE2-CD2 4.48Å; Y167-L275 PolarHBondContact OH-O 2.73Å; Y167-L275 VanDerWaalsContact OH-O 3.09Å
168	N	73.6	Confident	86.2	Confident	93 Å²	93	53.4 Å²	53.4	50%	0.497	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	19.8	-179.9	62.4	-7.1	0	0	0	112.9	M166 Q170	M166-N168 WeakPolarHBondContact CB-OD1 3.43Å; M166-N168 PolarHBondContact O-N 2.75Å; M166-N168 VanDerWaalsContact O-N 3.11Å; N168-Q170 PolarHBondContact ND2-OE1 2.93Å; N168-Q170 PolarHBondContact O-N 3.05Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.06Å; N168-Q170 PolarHBondContact OD1-N 3.32Å
169	Q	73.3	Confident	86.4	Confident	165 Å²	165	47.9 Å²	47.9	77%	0.771	23%	0.225	S	C	*	.	S	Bend	trans	60.2	3.8	-175.6	-56.4	-178.5	-2.1	0	0	115.7	M166 Y167	M166-Q169 WeakPolarHBondContact O-CA 3.24Å; M166-Q169 PolarHBondContact O-N 3.46Å; Y167-Q169 VanDerWaalsContact C-N 3.31Å
170	Q	79.8	Confident	86.4	Confident	71 Å²	71	49.9 Å²	49.9	33%	0.332	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-70.1	137.3	172.9	-66.7	178.2	-23.2	0	0	110.8	M166 N168	M166-Q170 WeakPolarHBondContact CB-O 3.19Å; M166-Q170 PolarHBondContact N-O 2.93Å; N168-Q170 PolarHBondContact ND2-OE1 2.93Å; N168-Q170 PolarHBondContact O-N 3.05Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.06Å; N168-Q170 PolarHBondContact OD1-N 3.32Å
171	T	83.2	Confident	86.4	Confident	28 Å²	28	49.3 Å²	49.3	17%	0.172	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.8	175.2	-45.5	0	0	0	0	110.2	W163 L164 Q221	W163-T171 HydrophobicContact CB-CG2 4.21Å; W163-T171 HydrophobicContact CE3-CG2 3.83Å; L164-T171 CarbonylContact O-C 3.51Å; L164-T171 WeakPolarHBondContact O-CA 3.49Å; T171-Q221 VanDerWaalsContact O-CB 3.28Å; T171-Q221 WeakPolarHBondContact O-CB 3.45Å; T171-Q221 PolarHBondContact O-N 3.46Å; T171-Q221 VanDerWaalsContact O-N 3.08Å
172	I	88.2	Confident	86.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	147	173.2	62	166.4	0	0	0	111.2	W163 L164 M166 L174 V218 I249 Y251	W163-I172 WeakPolarHBondContact CA-O 3.4Å; L164-I172 HydrophobicContact CB-CD1 4.44Å; L164-I172 HydrophobicContact CB-CG1 3.94Å; L164-I172 HydrophobicContact CD1-CD1 4.41Å; L164-I172 PolarHBondContact N-O 2.87Å; L164-I172 PolarHBondContact O-N 3.37Å; M166-I172 HydrophobicContact CE-CD1 4.43Å; M166-I172 HydrophobicContact CG-CD1 4.07Å; M166-I172 HydrophobicContact CG-CG1 3.96Å; M166-I172 HydrophobicContact CG-CG2 3.86Å; M166-I172 HydrophobicContact SD-CD1 3.52Å; M166-I172 VanDerWaalsContact SD-CD1 3.52Å; M166-I172 HydrophobicContact SD-CG1 3.98Å; I172-L174 HydrophobicContact CD1-CD2 4.34Å; I172-V218 HydrophobicContact CB-CG1 3.95Å; I172-V218 HydrophobicContact CD1-CG1 3.79Å; I172-V218 HydrophobicContact CG1-CG1 4.38Å; I172-V218 HydrophobicContact CG2-CG1 4.37Å; I172-I249 HydrophobicContact CD1-CG2 4.17Å; I172-Y251 HydrophobicContact CG2-CD1 4.28Å; I172-Y251 HydrophobicContact CG2-CE1 3.9Å; I172-Y251 HydrophobicContact CG2-CE2 4.42Å
173	V	89.6	Confident	85.3	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.055	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116.5	176.1	-168	0	0	0	0	109.5	R161 F162 W163 K175 V219	R161-V173 HydrophobicContact CB-CG1 4.35Å; F162-V173 CarbonylContact O-C 3.59Å; F162-V173 WeakPolarHBondContact O-CA 2.98Å; W163-V173 HydrophobicContact CD2-CG2 4Å; W163-V173 HydrophobicContact CE3-CG2 3.54Å; W163-V173 HydrophobicContact CH2-CG2 3.94Å; W163-V173 HydrophobicContact CZ2-CG2 4.38Å; W163-V173 HydrophobicContact CZ3-CG2 3.49Å; W163-V173 VanDerWaalsContact CZ3-CG2 3.49Å; V173-K175 HydrophobicContact CG1-CG 4.13Å; V173-K175 PolarHBondContact O-N 3.29Å; V173-V219 PolarHBondContact N-O 2.88Å; V173-V219 PolarHBondContact O-N 3.41Å
174	L	92.4	Very high	84.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.3	166.8	-54.2	-175.8	0	0	0	108.7	R161 F162 L164 I172 L176 V218 V237 I249	R161-L174 WeakPolarHBondContact CA-O 3.41Å; F162-L174 HydrophobicContact CB-CB 4.23Å; F162-L174 HydrophobicContact CB-CD1 4.33Å; F162-L174 PolarHBondContact N-O 3.5Å; F162-L174 VanDerWaalsContact N-O 3.15Å; F162-L174 PolarHBondContact O-N 2.76Å; L164-L174 HydrophobicContact CD1-CD1 3.67Å; L164-L174 HydrophobicContact CD1-CD2 4.36Å; L164-L174 HydrophobicContact CD1-CG 4.04Å; L164-L174 HydrophobicContact CG-CD1 4.42Å; I172-L174 HydrophobicContact CD1-CD2 4.34Å; L174-L176 HydrophobicContact CB-CD2 4.1Å; L174-L176 HydrophobicContact CB-CG 4.14Å; L174-L176 PolarHBondContact O-N 2.85Å; L174-V218 HydrophobicContact CD2-CG1 4.27Å; L174-V218 HydrophobicContact CD2-CG2 3.94Å; L174-V237 HydrophobicContact CD1-CG2 4.19Å; L174-V237 HydrophobicContact CD2-CB 4.22Å; L174-V237 HydrophobicContact CD2-CG1 4.3Å; L174-V237 HydrophobicContact CD2-CG2 4.11Å; L174-I249 HydrophobicContact CD1-CD1 4.06Å; L174-I249 HydrophobicContact CD1-CG1 4.4Å; L174-I249 HydrophobicContact CD2-CD1 4.19Å; L174-I249 HydrophobicContact CD2-CG1 4.18Å; L174-I249 HydrophobicContact CD2-CG2 4.01Å
175	K	91.7	Very high	83	Confident	84 Å²	84	55.1 Å²	55.1	37%	0.365	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	89.8	175	-65.7	178.8	-176.5	174.5	0	108.3	V173 G216 T217 V219	V173-K175 HydrophobicContact CG1-CG 4.13Å; V173-K175 PolarHBondContact O-N 3.29Å; K175-G216 WeakPolarHBondContact O-CA 3.32Å; K175-T217 PolarHBondContact N-O 3.49Å; K175-T217 PolarHBondContact O-N 2.89Å; K175-V219 HydrophobicContact CD-CB 4.34Å; K175-V219 HydrophobicContact CD-CG2 3.78Å
176	L	92.8	Very high	82.1	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.2	-171.6	-62.5	-170.8	0	0	0	113.1	N159 T160 F162 L174 Y214 V237 V239	N159-L176 CarbonylContact C-O 3.58Å; N159-L176 WeakPolarHBondContact CA-O 3.46Å; T160-L176 HydrophobicContact CG2-CB 3.74Å; T160-L176 HydrophobicContact CG2-CD1 4Å; T160-L176 HydrophobicContact CG2-CG 4.33Å; T160-L176 PolarHBondContact N-O 2.79Å; T160-L176 PolarHBondContact O-N 3Å; F162-L176 HydrophobicContact CD2-CD1 3.64Å; F162-L176 HydrophobicContact CD2-CG 4.49Å; F162-L176 HydrophobicContact CE2-CD1 3.98Å; L174-L176 HydrophobicContact CB-CD2 4.1Å; L174-L176 HydrophobicContact CB-CG 4.14Å; L174-L176 PolarHBondContact O-N 2.85Å; L176-Y214 HydrophobicContact CB-CD1 4.03Å; L176-Y214 HydrophobicContact CB-CG 4.36Å; L176-Y214 HydrophobicContact CD1-CG 4.29Å; L176-V237 HydrophobicContact CD2-CB 4.32Å; L176-V237 HydrophobicContact CD2-CG1 3.52Å; L176-V237 HydrophobicContact CD2-CG2 3.79Å; L176-V239 HydrophobicContact CD1-CG2 3.62Å; L176-V239 HydrophobicContact CD2-CG2 4.02Å
177	Q	92.4	Very high	81.9	Confident	89 Å²	89	59 Å²	59	42%	0.416	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.2	166.9	178	178	-61.4	0	0	109.4	N159 S179 Y214 T215	N159-Q177 WeakPolarHBondContact OD1-CG 3.36Å; Q177-S179 PolarHBondContact O-N 2.62Å; Q177-Y214 CarbonylContact O-C 3.07Å; Q177-Y214 VanDerWaalsContact O-CA 3.28Å; Q177-Y214 WeakPolarHBondContact O-CA 3.23Å; Q177-Y214 WeakPolarHBondContact O-CD1 3.33Å; Q177-T215 CarbonylContact C-O 3.55Å; Q177-T215 PolarHBondContact N-O 3.42Å; Q177-T215 PolarHBondContact O-N 2.88Å
178	K	91.1	Very high	82.4	Confident	49 Å²	49	57.4 Å²	57.4	21%	0.213	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	130.9	176.7	-172.8	169.2	-172.8	159.7	0	110.8	L158 N211 Y214	L158-K178 HydrophobicContact CD1-CB 4.18Å; L158-K178 VanDerWaalsContact O-CB 3.27Å; L158-K178 WeakPolarHBondContact O-CB 3.38Å; L158-K178 PolarHBondContact O-N 2.7Å; K178-N211 WeakPolarHBondContact CE-ND2 3.22Å; K178-N211 WeakPolarHBondContact CE-O 3.37Å; K178-N211 PolarHBondContact NZ-O 2.97Å; K178-Y214 HydrophobicContact CB-CD1 4.4Å; K178-Y214 HydrophobicContact CB-CE1 4.05Å
179	S	91.4	Very high	83.1	Confident	5 Å²	5	53 Å²	53	4%	0.035	28%	0.282	C	S	.	.			trans	-70.4	140.2	-172	-169.8	0	0	0	0	112.5	Q177 N211 Y213 N348	Q177-S179 PolarHBondContact O-N 2.62Å; S179-N211 PolarHBondContact O-ND2 3.35Å; S179-Y213 WeakPolarHBondContact CB-O 3.49Å; S179-Y213 PolarHBondContact N-O 2.95Å; S179-N348 WeakPolarHBondContact CB-OD1 3.31Å; S179-N348 PolarHBondContact OG-OD1 3.42Å
180	R	88.2	Confident	83.9	Confident	140 Å²	140	45.1 Å²	45.1	53%	0.528	25%	0.245	S	C	.	.			trans	-85.4	-0.1	178.2	-69.6	-175.4	177.7	177.3	-2.4	114	F182 E360 Y362	R180-F182 CarbonylContact C-O 3.49Å; R180-F182 CarbonylContact O-C 3.56Å; R180-F182 VanDerWaalsContact O-C 3.28Å; R180-F182 PolarHBondContact O-N 3.33Å; R180-E360 WeakPolarHBondContact CD-OE1 3.49Å; R180-E360 IonicContact CZ-OE1 3.72Å; R180-E360 IonicContact NE-OE1 3.61Å; R180-E360 IonicContact NH1-OE1 3.73Å; R180-E360 PolarHBondContact NH1-OE1 3.38Å; R180-Y362 HydrophobicContact CB-CE1 4.32Å; R180-Y362 WeakPolarHBondContact O-CD1 3.23Å; R180-Y362 WeakPolarHBondContact O-CE1 3.22Å
181	I	89.1	Confident	84.4	Confident	2 Å²	2	42 Å²	42	1%	0.01	23%	0.231	C	C	.	.	S	Bend	trans	-56.4	-19.5	179.9	59.7	165.6	0	0	0	113.6	Y213 S344 L347 N348 T351 Y362 L363	I181-Y213 HydrophobicContact CD1-CG 4.28Å; I181-S344 WeakPolarHBondContact CD1-O 3.1Å; I181-L347 HydrophobicContact CB-CD2 4.17Å; I181-L347 HydrophobicContact CB-CG 4.45Å; I181-L347 HydrophobicContact CG2-CD2 4.41Å; I181-L347 HydrophobicContact CG2-CG 4.19Å; I181-N348 HydrophobicContact CD1-CB 3.87Å; I181-T351 HydrophobicContact CG2-CG2 3.63Å; I181-Y362 CarbonylContact O-C 3.53Å; I181-L363 PolarHBondContact O-N 2.92Å
182	F	85.3	Confident	84.8	Confident	22 Å²	22	42.5 Å²	42.5	10%	0.096	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-100.1	126	163.4	-56.6	-73.1	0	0	0	108.9	R180 Y188 L209 N211 Y213 L363	R180-F182 CarbonylContact C-O 3.49Å; R180-F182 CarbonylContact O-C 3.56Å; R180-F182 VanDerWaalsContact O-C 3.28Å; R180-F182 PolarHBondContact O-N 3.33Å; F182-Y188 HydrophobicContact CD1-CD1 4.13Å; F182-Y188 AromaticContact CD1-CD2 3.76Å; F182-Y188 HydrophobicContact CD1-CD2 3.76Å; F182-Y188 HydrophobicContact CD1-CE2 4.39Å; F182-Y188 AromaticContact CD1-CG 3.59Å; F182-Y188 HydrophobicContact CD1-CG 3.59Å; F182-Y188 HydrophobicContact CE1-CD1 4.19Å; F182-Y188 AromaticContact CE1-CD2 3.71Å; F182-Y188 HydrophobicContact CE1-CD2 3.71Å; F182-Y188 HydrophobicContact CE1-CE1 4.35Å; F182-Y188 AromaticContact CE1-CE2 3.87Å; F182-Y188 HydrophobicContact CE1-CE2 3.87Å; F182-Y188 AromaticContact CE1-CG 3.86Å; F182-Y188 HydrophobicContact CE1-CG 3.86Å; F182-L209 HydrophobicContact CD1-CD2 4.25Å; F182-L209 HydrophobicContact CE1-CD2 3.4Å; F182-L209 HydrophobicContact CE2-CD2 4.11Å; F182-L209 HydrophobicContact CZ-CD2 3.33Å; F182-L209 HydrophobicContact CZ-CG 4.48Å; F182-N211 HydrophobicContact CD2-CB 4.13Å; F182-Y213 HydrophobicContact CD2-CD2 4.41Å; F182-Y213 AromaticContact CE2-CD2 3.57Å; F182-Y213 HydrophobicContact CE2-CD2 3.57Å; F182-Y213 AromaticContact CE2-CE2 3.87Å; F182-Y213 HydrophobicContact CE2-CE2 3.87Å; F182-Y213 HydrophobicContact CE2-CG 4.31Å; F182-Y213 HydrophobicContact CZ-CD2 4.42Å; F182-Y213 HydrophobicContact CZ-CE2 4.33Å; F182-L363 HydrophobicContact CE1-CB 4.3Å; F182-L363 HydrophobicContact CE1-CD2 4Å; F182-L363 HydrophobicContact CZ-CD2 4.48Å
183	S	71.3	Confident	85	Confident	30 Å²	30	42.9 Å²	42.9	21%	0.21	23%	0.231	C	C	.	.			trans	-64.1	-171.2	173.3	-172.7	0	0	0	0	111.1	N187	S183-N187 PolarHBondContact OG-ND2 2.98Å; S183-N187 VanDerWaalsContact OG-ND2 3.11Å
184	H	67.8	Low	85	Confident	154 Å²	154	47 Å²	47	71%	0.713	25%	0.25	S	C	*	.	S	Bend	trans	-54	145.1	179.9	-65.9	26	0	0	0	111.2	G186 N187	H184-G186 PolarHBondContact O-N 2.87Å; H184-N187 VanDerWaalsContact O-CB 3.31Å; H184-N187 WeakPolarHBondContact O-CB 3.03Å; H184-N187 PolarHBondContact O-N 2.82Å
185	A	60.1	Low	84.8	Confident	114 Å²	114	53.9 Å²	53.9	94%	0.942	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	127.9	-169.6	0	0	0	0	0	112
186	G	64	Low	84.4	Confident	56 Å²	56	54.3 Å²	54.3	58%	0.577	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.4	-21.2	-171.9	0	0	0	0	0	114.6	H184	H184-G186 PolarHBondContact O-N 2.87Å
187	N	78	Confident	83.9	Confident	75 Å²	75	62.8 Å²	62.8	40%	0.401	33%	0.327	S	S	.	.	S	Bend	trans	-73.1	-33	-178.5	-74.1	-6	0	0	0	113.4	S183 H184 K464	S183-N187 PolarHBondContact OG-ND2 2.98Å; S183-N187 VanDerWaalsContact OG-ND2 3.11Å; H184-N187 VanDerWaalsContact O-CB 3.31Å; H184-N187 WeakPolarHBondContact O-CB 3.03Å; H184-N187 PolarHBondContact O-N 2.82Å; N187-K464 VanDerWaalsContact O-CD 3.29Å; N187-K464 WeakPolarHBondContact O-CD 3.46Å; N187-K464 PolarHBondContact O-NZ 3.41Å
188	Y	86.7	Confident	83.3	Confident	16 Å²	16	62.3 Å²	62.3	6%	0.063	33%	0.327	C	S	.	.			trans	-81.3	141.1	176	169.7	-96.2	0	0	0	112.3	F182 T190 L209 L363 I364 S366	F182-Y188 HydrophobicContact CD1-CD1 4.13Å; F182-Y188 AromaticContact CD1-CD2 3.76Å; F182-Y188 HydrophobicContact CD1-CD2 3.76Å; F182-Y188 HydrophobicContact CD1-CE2 4.39Å; F182-Y188 AromaticContact CD1-CG 3.59Å; F182-Y188 HydrophobicContact CD1-CG 3.59Å; F182-Y188 HydrophobicContact CE1-CD1 4.19Å; F182-Y188 AromaticContact CE1-CD2 3.71Å; F182-Y188 HydrophobicContact CE1-CD2 3.71Å; F182-Y188 HydrophobicContact CE1-CE1 4.35Å; F182-Y188 AromaticContact CE1-CE2 3.87Å; F182-Y188 HydrophobicContact CE1-CE2 3.87Å; F182-Y188 AromaticContact CE1-CG 3.86Å; F182-Y188 HydrophobicContact CE1-CG 3.86Å; Y188-T190 PolarHBondContact OH-OG1 2.91Å; Y188-L209 HydrophobicContact CD1-CB 4.11Å; Y188-L209 HydrophobicContact CD1-CD2 4.07Å; Y188-L209 HydrophobicContact CE1-CB 3.75Å; Y188-L209 HydrophobicContact CE1-CD2 3.51Å; Y188-L209 HydrophobicContact CE1-CG 4.3Å; Y188-L363 HydrophobicContact CD2-CB 4.27Å; Y188-L363 HydrophobicContact CD2-CD2 4.23Å; Y188-L363 HydrophobicContact CD2-CG 3.9Å; Y188-L363 WeakPolarHBondContact CD2-O 3.1Å; Y188-L363 HydrophobicContact CE2-CD2 3.68Å; Y188-L363 HydrophobicContact CE2-CG 3.72Å; Y188-I364 WeakPolarHBondContact CA-O 3.35Å; Y188-S366 PolarHBondContact OH-OG 3.14Å
189	S	88.5	Confident	82.7	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	160.1	165.2	56.6	0	0	0	0	113.6	E205 D207 I364 Q365 S366 K464	S189-E205 WeakPolarHBondContact CB-OE1 3.07Å; S189-E205 PolarHBondContact OG-OE1 2.93Å; S189-D207 WeakPolarHBondContact CB-OD1 3.07Å; S189-I364 PolarHBondContact N-O 3.33Å; S189-I364 VanDerWaalsContact N-O 3.09Å; S189-Q365 WeakPolarHBondContact O-CA 3.34Å; S189-S366 PolarHBondContact O-N 2.83Å; S189-K464 WeakPolarHBondContact OG-CE 3.36Å; S189-K464 PolarHBondContact OG-NZ 3.49Å
190	T	90.1	Very high	82.1	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121	171.8	-47	0	0	0	0	109.5	Y188 E205 S206 I340 S366 I368	Y188-T190 PolarHBondContact OH-OG1 2.91Å; T190-E205 CarbonylContact O-C 3.5Å; T190-E205 WeakPolarHBondContact O-CA 3.47Å; T190-S206 PolarHBondContact N-O 3.38Å; T190-S206 PolarHBondContact O-N 2.82Å; T190-S206 PolarHBondContact OG1-O 3.4Å; T190-I340 HydrophobicContact CG2-CD1 3.81Å; T190-I340 HydrophobicContact CG2-CG1 3.8Å; T190-S366 CarbonylContact C-O 3.46Å; T190-S366 WeakPolarHBondContact CA-O 3.22Å; T190-S366 WeakPolarHBondContact CG2-OG 3.22Å; T190-I368 HydrophobicContact CG2-CD1 3.95Å
191	L	90.9	Very high	81.8	Confident	5 Å²	5	64.6 Å²	64.6	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.3	168.4	-163.2	80.4	0	0	0	110.1	Y193 E203 F204 E205 S366 E367 I368 L461	L191-Y193 HydrophobicContact CD2-CE2 4.26Å; L191-Y193 WeakPolarHBondContact CD2-OH 3.39Å; L191-E203 HydrophobicContact CD1-CB 4.13Å; L191-E203 HydrophobicContact CG-CB 4.49Å; L191-F204 WeakPolarHBondContact CA-O 3.12Å; L191-E205 HydrophobicContact CD1-CB 4.45Å; L191-S366 PolarHBondContact N-O 3.37Å; L191-E367 HydrophobicContact CD2-CG 4.37Å; L191-E367 WeakPolarHBondContact O-CA 3.2Å; L191-I368 PolarHBondContact O-N 3.24Å; L191-L461 HydrophobicContact CD1-CD2 3.91Å
192	Y	92.2	Very high	81.5	Confident	39 Å²	39	68.3 Å²	68.3	15%	0.153	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	168.1	178.2	65.3	-76.1	0	0	0	110.5	Q194 F204 L336	Y192-Q194 HydrophobicContact CD2-CG 4.16Å; Y192-Q194 HydrophobicContact CE2-CG 4.05Å; Y192-F204 HydrophobicContact CD1-CB 4.14Å; Y192-F204 VanDerWaalsContact CD1-O 3.25Å; Y192-F204 WeakPolarHBondContact CD1-O 3.2Å; Y192-F204 HydrophobicContact CD2-CB 4.19Å; Y192-F204 HydrophobicContact CE1-CB 3.62Å; Y192-F204 HydrophobicContact CE2-CB 3.7Å; Y192-F204 HydrophobicContact CE2-CG 4.24Å; Y192-F204 HydrophobicContact CG-CB 4.39Å; Y192-F204 PolarHBondContact N-O 2.83Å; Y192-F204 PolarHBondContact O-N 3.4Å; Y192-L336 HydrophobicContact CD1-CD2 4.25Å; Y192-L336 HydrophobicContact CD2-CD2 4.07Å; Y192-L336 HydrophobicContact CE2-CD2 4.44Å; Y192-L336 HydrophobicContact CG-CD1 4.41Å; Y192-L336 HydrophobicContact CG-CD2 3.96Å
193	Y	92	Very high	81.4	Confident	7 Å²	7	71.3 Å²	71.3	3%	0.027	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138	-170.2	-65.8	-94.5	0	0	0	111.9	L191 M201 Y202 E203 E367 W369 T370 L374 R395	L191-Y193 HydrophobicContact CD2-CE2 4.26Å; L191-Y193 WeakPolarHBondContact CD2-OH 3.39Å; Y193-M201 HydrophobicContact CD1-CG 3.71Å; Y193-M201 HydrophobicContact CD1-SD 3.61Å; Y193-M201 HydrophobicContact CE1-SD 4.18Å; Y193-M201 HydrophobicContact CG-CG 4.47Å; Y193-M201 HydrophobicContact CG-SD 4.31Å; Y193-Y202 WeakPolarHBondContact CA-O 3.35Å; Y193-E203 HydrophobicContact CD1-CB 4.44Å; Y193-E203 HydrophobicContact CD1-CG 4.28Å; Y193-E203 HydrophobicContact CE1-CB 4.01Å; Y193-E203 HydrophobicContact CE1-CG 3.58Å; Y193-E203 WeakPolarHBondContact CE1-OE1 3.04Å; Y193-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y193-E203 PolarHBondContact OH-OE1 3.17Å; Y193-E367 HydrophobicContact CE2-CG 4.46Å; Y193-W369 AromaticContact CE2-CD1 3.99Å; Y193-T370 WeakPolarHBondContact CA-OG1 3.44Å; Y193-T370 WeakPolarHBondContact CB-OG1 3.14Å; Y193-T370 PolarHBondContact N-OG1 3Å; Y193-T370 PolarHBondContact O-OG1 3.17Å; Y193-L374 HydrophobicContact CE1-CD1 4.02Å; Y193-L374 HydrophobicContact CE2-CD1 3.93Å; Y193-R395 PolarHBondContact OH-NH2 3.5Å
194	Q	89.5	Confident	82.1	Confident	95 Å²	95	72.4 Å²	72.4	44%	0.444	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.4	170.9	-56.1	-175.1	-23.3	0	0	110.9	Y192 Y202 F204	Y192-Q194 HydrophobicContact CD2-CG 4.16Å; Y192-Q194 HydrophobicContact CE2-CG 4.05Å; Q194-Y202 PolarHBondContact N-O 3.25Å; Q194-Y202 VanDerWaalsContact N-O 3.13Å; Q194-Y202 PolarHBondContact O-N 3.46Å; Q194-F204 HydrophobicContact CB-CD2 4.07Å; Q194-F204 HydrophobicContact CB-CE2 3.6Å; Q194-F204 HydrophobicContact CB-CZ 4.29Å; Q194-F204 HydrophobicContact CG-CD2 4.19Å; Q194-F204 HydrophobicContact CG-CE2 4.15Å
195	K	86.9	Confident	82.8	Confident	145 Å²	145	67.9 Å²	67.9	63%	0.63	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.5	168.8	-62.1	-176.2	-176.8	176.9	0	108.8	Q200 L371	K195-Q200 WeakPolarHBondContact CA-O 3.42Å; K195-L371 HydrophobicContact CG-CD1 3.83Å; K195-L371 HydrophobicContact CG-CD2 4.33Å
196	K	84.2	Confident	83.8	Confident	94 Å²	94	63.6 Å²	63.6	41%	0.409	33%	0.331	S	S	.	.			trans	-94	-179.9	167.5	-67.6	-177.2	-165.9	155.4	0	110.2	D198 G199 Q200 Y202	K196-D198 WeakPolarHBondContact CB-OD1 3.41Å; K196-D198 PolarHBondContact O-N 3.02Å; K196-D198 VanDerWaalsContact O-N 3.08Å; K196-G199 PolarHBondContact O-N 3.49Å; K196-Q200 PolarHBondContact N-O 3.49Å; K196-Y202 HydrophobicContact CB-CD2 4.02Å; K196-Y202 HydrophobicContact CB-CE2 3.98Å; K196-Y202 HydrophobicContact CD-CD2 3.48Å; K196-Y202 VanDerWaalsContact CD-CD2 3.48Å; K196-Y202 HydrophobicContact CD-CE2 3.55Å; K196-Y202 HydrophobicContact CD-CG 4.03Å; K196-Y202 HydrophobicContact CG-CD2 3.59Å; K196-Y202 HydrophobicContact CG-CE2 3.93Å; K196-Y202 HydrophobicContact CG-CG 4.39Å; K196-Y202 VanDerWaalsContact NZ-CD1 3.3Å
197	N	81.8	Confident	84.3	Confident	181 Å²	181	65.8 Å²	65.8	97%	0.968	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.6	-176.7	-59.4	8.5	0	0	0	113.9	G199	N197-G199 VanDerWaalsContact C-N 3.29Å
198	D	80.4	Confident	83.7	Confident	79 Å²	79	71.5 Å²	71.5	42%	0.422	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.2	173.3	61	-1.5	0	0	0	113.7	K196 Q200 Y202	K196-D198 WeakPolarHBondContact CB-OD1 3.41Å; K196-D198 PolarHBondContact O-N 3.02Å; K196-D198 VanDerWaalsContact O-N 3.08Å; D198-Q200 HydrophobicContact CB-CG 4.45Å; D198-Q200 PolarHBondContact O-N 2.81Å; D198-Q200 PolarHBondContact OD1-N 2.03Å; D198-Y202 WeakPolarHBondContact OD2-CE2 3.4Å; D198-Y202 PolarHBondContact OD2-OH 3.02Å; D198-Y202 VanDerWaalsContact OD2-OH 3.09Å
199	G	77.7	Confident	83	Confident	53 Å²	53	72.4 Å²	72.4	55%	0.546	36%	0.357	S	S	.	.	S	Bend	trans	75	-4.7	-175.4	0	0	0	0	0	114.6	K196 N197	K196-G199 PolarHBondContact O-N 3.49Å; N197-G199 VanDerWaalsContact C-N 3.29Å
200	Q	78.4	Confident	82.4	Confident	120 Å²	120	78.6 Å²	78.6	56%	0.561	38%	0.384	S	S	*	.			trans	-78.4	146.4	-178.3	-59.7	-165.5	32.3	0	0	111.4	K195 K196 D198 Y202	K195-Q200 WeakPolarHBondContact CA-O 3.42Å; K196-Q200 PolarHBondContact N-O 3.49Å; D198-Q200 HydrophobicContact CB-CG 4.45Å; D198-Q200 PolarHBondContact O-N 2.81Å; D198-Q200 PolarHBondContact OD1-N 2.03Å; Q200-Y202 HydrophobicContact CB-CD2 4.48Å; Q200-Y202 HydrophobicContact CB-CE2 3.88Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.04Å
201	M	82.5	Confident	81.9	Confident	69 Å²	69	80 Å²	80	34%	0.34	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.1	174.7	174.6	-176.3	-69	0	0	109.6	Y193 L371 K372 L374	Y193-M201 HydrophobicContact CD1-CG 3.71Å; Y193-M201 HydrophobicContact CD1-SD 3.61Å; Y193-M201 HydrophobicContact CE1-SD 4.18Å; Y193-M201 HydrophobicContact CG-CG 4.47Å; Y193-M201 HydrophobicContact CG-SD 4.31Å; M201-L371 HydrophobicContact CE-CB 3.91Å; M201-L371 HydrophobicContact CE-CD1 3.88Å; M201-L371 HydrophobicContact CG-CD1 4.07Å; M201-K372 HydrophobicContact CE-CD 4.34Å; M201-K372 HydrophobicContact CE-CG 3.81Å; M201-L374 HydrophobicContact CE-CD2 4.31Å; M201-L374 HydrophobicContact SD-CD2 4.02Å
202	Y	83.2	Confident	81.9	Confident	80 Å²	80	79.8 Å²	79.8	31%	0.314	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.1	172.5	-72.4	-89.4	0	0	0	110.5	Y193 Q194 K196 D198 Q200 F204	Y193-Y202 WeakPolarHBondContact CA-O 3.35Å; Q194-Y202 PolarHBondContact N-O 3.25Å; Q194-Y202 VanDerWaalsContact N-O 3.13Å; Q194-Y202 PolarHBondContact O-N 3.46Å; K196-Y202 HydrophobicContact CB-CD2 4.02Å; K196-Y202 HydrophobicContact CB-CE2 3.98Å; K196-Y202 HydrophobicContact CD-CD2 3.48Å; K196-Y202 VanDerWaalsContact CD-CD2 3.48Å; K196-Y202 HydrophobicContact CD-CE2 3.55Å; K196-Y202 HydrophobicContact CD-CG 4.03Å; K196-Y202 HydrophobicContact CG-CD2 3.59Å; K196-Y202 HydrophobicContact CG-CE2 3.93Å; K196-Y202 HydrophobicContact CG-CG 4.39Å; K196-Y202 VanDerWaalsContact NZ-CD1 3.3Å; D198-Y202 WeakPolarHBondContact OD2-CE2 3.4Å; D198-Y202 PolarHBondContact OD2-OH 3.02Å; D198-Y202 VanDerWaalsContact OD2-OH 3.09Å; Q200-Y202 HydrophobicContact CB-CD2 4.48Å; Q200-Y202 HydrophobicContact CB-CE2 3.88Å; Q200-Y202 WeakPolarHBondContact O-CD2 3.04Å; Y202-F204 WeakPolarHBondContact O-CD2 3.44Å
203	E	83.5	Confident	81.9	Confident	85 Å²	85	77.9 Å²	77.9	40%	0.397	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	138.5	167.7	-28.2	-152.6	127.5	0	0	108.9	L191 Y193 R395 L461	L191-E203 HydrophobicContact CD1-CB 4.13Å; L191-E203 HydrophobicContact CG-CB 4.49Å; Y193-E203 HydrophobicContact CD1-CB 4.44Å; Y193-E203 HydrophobicContact CD1-CG 4.28Å; Y193-E203 HydrophobicContact CE1-CB 4.01Å; Y193-E203 HydrophobicContact CE1-CG 3.58Å; Y193-E203 WeakPolarHBondContact CE1-OE1 3.04Å; Y193-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y193-E203 PolarHBondContact OH-OE1 3.17Å; E203-R395 VanDerWaalsContact CD-NH2 3.25Å; E203-R395 IonicContact OE1-CZ 3.76Å; E203-R395 IonicContact OE1-NH2 3.11Å; E203-R395 PolarHBondContact OE1-NH2 2.76Å; E203-R395 IonicContact OE2-CZ 2.73Å; E203-R395 IonicContact OE2-NH2 3.75Å; E203-R395 PolarHBondContact OE2-NH2 3.06Å; E203-L461 HydrophobicContact CB-CD2 3.98Å
204	F	85.5	Confident	82	Confident	53 Å²	53	77.6 Å²	77.6	23%	0.232	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.6	176.9	-67.9	-102.5	0	0	0	109.4	L191 Y192 Q194 Y202	L191-F204 WeakPolarHBondContact CA-O 3.12Å; Y192-F204 HydrophobicContact CD1-CB 4.14Å; Y192-F204 VanDerWaalsContact CD1-O 3.25Å; Y192-F204 WeakPolarHBondContact CD1-O 3.2Å; Y192-F204 HydrophobicContact CD2-CB 4.19Å; Y192-F204 HydrophobicContact CE1-CB 3.62Å; Y192-F204 HydrophobicContact CE2-CB 3.7Å; Y192-F204 HydrophobicContact CE2-CG 4.24Å; Y192-F204 HydrophobicContact CG-CB 4.39Å; Y192-F204 PolarHBondContact N-O 2.83Å; Y192-F204 PolarHBondContact O-N 3.4Å; Q194-F204 HydrophobicContact CB-CD2 4.07Å; Q194-F204 HydrophobicContact CB-CE2 3.6Å; Q194-F204 HydrophobicContact CB-CZ 4.29Å; Q194-F204 HydrophobicContact CG-CD2 4.19Å; Q194-F204 HydrophobicContact CG-CE2 4.15Å; Y202-F204 WeakPolarHBondContact O-CD2 3.44Å
205	E	83	Confident	82.3	Confident	59 Å²	59	74.1 Å²	74.1	28%	0.276	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.4	178.9	-168.6	164.1	-156.6	0	0	110.3	S189 T190 L191 L461 K464	S189-E205 WeakPolarHBondContact CB-OE1 3.07Å; S189-E205 PolarHBondContact OG-OE1 2.93Å; T190-E205 CarbonylContact O-C 3.5Å; T190-E205 WeakPolarHBondContact O-CA 3.47Å; L191-E205 HydrophobicContact CD1-CB 4.45Å; E205-L461 HydrophobicContact CB-CD1 3.77Å; E205-L461 HydrophobicContact CB-CG 4.46Å; E205-L461 WeakPolarHBondContact OE2-CD1 3.35Å; E205-K464 IonicContact OE1-NZ 2.69Å
206	S	81.9	Confident	82.6	Confident	24 Å²	24	68 Å²	68	17%	0.168	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	116.6	178	178	0	0	0	0	111.4	T190 K208	T190-S206 PolarHBondContact N-O 3.38Å; T190-S206 PolarHBondContact O-N 2.82Å; T190-S206 PolarHBondContact OG1-O 3.4Å; S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact OG-N 3.34Å
207	D	74.5	Confident	83	Confident	103 Å²	103	67 Å²	67	55%	0.551	35%	0.347	S	S	*	.			trans	-87.5	2.9	173.7	-49.4	-42.1	0	0	0	112.3	S189 L209	S189-D207 WeakPolarHBondContact CB-OD1 3.07Å; D207-L209 VanDerWaalsContact C-N 3.29Å; D207-L209 PolarHBondContact O-N 3.04Å
208	K	65	Low	83.4	Confident	194 Å²	194	58.5 Å²	58.5	84%	0.843	30%	0.302	S	S	*	.			trans	-77.5	71.1	-174.7	-65.7	-176.2	178.7	178.2	0	112.1	S206	S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact OG-N 3.34Å
209	L	71.9	Confident	83.7	Confident	36 Å²	36	56.3 Å²	56.3	19%	0.188	29%	0.291	C	S	.	.			trans	-119.5	121.5	169	-174.8	55.2	0	0	0	112.8	F182 Y188 D207 N211 I340	F182-L209 HydrophobicContact CD1-CD2 4.25Å; F182-L209 HydrophobicContact CE1-CD2 3.4Å; F182-L209 HydrophobicContact CE2-CD2 4.11Å; F182-L209 HydrophobicContact CZ-CD2 3.33Å; F182-L209 HydrophobicContact CZ-CG 4.48Å; Y188-L209 HydrophobicContact CD1-CB 4.11Å; Y188-L209 HydrophobicContact CD1-CD2 4.07Å; Y188-L209 HydrophobicContact CE1-CB 3.75Å; Y188-L209 HydrophobicContact CE1-CD2 3.51Å; Y188-L209 HydrophobicContact CE1-CG 4.3Å; D207-L209 VanDerWaalsContact C-N 3.29Å; D207-L209 PolarHBondContact O-N 3.04Å; L209-N211 PolarHBondContact O-N 3.36Å; L209-I340 HydrophobicContact CD1-CG2 3.71Å; L209-I340 HydrophobicContact CD2-CG2 3.78Å; L209-I340 HydrophobicContact CG-CG2 4.3Å
210	K	74.8	Confident	83.8	Confident	130 Å²	130	54.2 Å²	54.2	57%	0.565	27%	0.267	S	S	*	.			trans	-73.4	106.9	168.3	-72	169.9	-173.8	164.2	0	109	Y156 C212	Y156-K210 HydrophobicContact CE2-CB 3.74Å; Y156-K210 HydrophobicContact CE2-CD 4.3Å; Y156-K210 HydrophobicContact CE2-CG 4.09Å; K210-C212 PolarHBondContact O-N 3.07Å; K210-C212 PolarHBondContact O-SG 2.99Å
211	N	80.3	Confident	83.3	Confident	29 Å²	29	53 Å²	53	16%	0.155	26%	0.262	C	S	.	.			trans	-72.4	96.7	171.4	-179.1	-8.3	0	0	0	109.8	K178 S179 F182 L209 Y213	K178-N211 WeakPolarHBondContact CE-ND2 3.22Å; K178-N211 WeakPolarHBondContact CE-O 3.37Å; K178-N211 PolarHBondContact NZ-O 2.97Å; S179-N211 PolarHBondContact O-ND2 3.35Å; F182-N211 HydrophobicContact CD2-CB 4.13Å; L209-N211 PolarHBondContact O-N 3.36Å; N211-Y213 PolarHBondContact OD1-N 3.5Å
212	C	90.5	Very high	82.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.277	C	S	.	.			trans	-113.4	28.9	173.7	40.6	0	0	0	0	112	Y156 K210 N240 T241 C242	Y156-C212 HydrophobicContact CD1-CB 3.82Å; Y156-C212 HydrophobicContact CE1-CB 3.52Å; Y156-C212 HydrophobicContact CE2-CB 4.38Å; Y156-C212 HydrophobicContact CG-CB 4.36Å; K210-C212 PolarHBondContact O-N 3.07Å; K210-C212 PolarHBondContact O-SG 2.99Å; C212-N240 WeakPolarHBondContact O-CA 3.39Å; C212-T241 PolarHBondContact O-N 2.99Å; C212-T241 PolarHBondContact O-OG1 3.03Å; C212-C242 HydrophobicContact CB-CB 4.09Å; C212-C242 WeakPolarHBondContact CB-SG 3.38Å; C212-C242 WeakPolarHBondContact SG-CB 3.33Å; C212-C242 CovalentContact SG-SG 2.03Å; C212-C242 PolarHBondContact SG-SG 3Å
213	Y	93.1	Very high	81	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.2	-177	-55.7	-89.3	0	0	0	110.5	S179 I181 F182 N211 N240 H341 S344 N345 N348	S179-Y213 WeakPolarHBondContact CB-O 3.49Å; S179-Y213 PolarHBondContact N-O 2.95Å; I181-Y213 HydrophobicContact CD1-CG 4.28Å; F182-Y213 HydrophobicContact CD2-CD2 4.41Å; F182-Y213 AromaticContact CE2-CD2 3.57Å; F182-Y213 HydrophobicContact CE2-CD2 3.57Å; F182-Y213 AromaticContact CE2-CE2 3.87Å; F182-Y213 HydrophobicContact CE2-CE2 3.87Å; F182-Y213 HydrophobicContact CE2-CG 4.31Å; F182-Y213 HydrophobicContact CZ-CD2 4.42Å; F182-Y213 HydrophobicContact CZ-CE2 4.33Å; N211-Y213 PolarHBondContact OD1-N 3.5Å; Y213-N240 HydrophobicContact CD1-CB 3.52Å; Y213-N240 HydrophobicContact CE1-CB 3.7Å; Y213-N240 HydrophobicContact CG-CB 4.33Å; Y213-H341 AromaticContact CZ-ND1 3.88Å; Y213-H341 WeakPolarHBondContact OH-CA 3.46Å; Y213-H341 PolarHBondContact OH-ND1 3.05Å; Y213-S344 VanDerWaalsContact CE1-CB 3.46Å; Y213-S344 WeakPolarHBondContact OH-CB 3.49Å; Y213-N345 HydrophobicContact CE1-CB 4.43Å; Y213-N348 HydrophobicContact CD1-CB 4.27Å
214	Y	94.5	Very high	79.2	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.1	-172.5	-68.3	-92.4	0	0	0	111.4	T149 F157 T160 L176 Q177 K178 A238 V239 T241 N348	T149-Y214 WeakPolarHBondContact CB-OH 3.31Å; T149-Y214 HydrophobicContact CG2-CE2 4.18Å; T149-Y214 VanDerWaalsContact OG1-CE2 3.23Å; T149-Y214 WeakPolarHBondContact OG1-CE2 3.46Å; T149-Y214 PolarHBondContact OG1-OH 3.42Å; F157-Y214 WeakPolarHBondContact O-CE1 3.32Å; F157-Y214 PolarHBondContact O-OH 3.4Å; T160-Y214 HydrophobicContact CG2-CD1 4.43Å; T160-Y214 HydrophobicContact CG2-CE1 4.34Å; L176-Y214 HydrophobicContact CB-CD1 4.03Å; L176-Y214 HydrophobicContact CB-CG 4.36Å; L176-Y214 HydrophobicContact CD1-CG 4.29Å; Q177-Y214 CarbonylContact O-C 3.07Å; Q177-Y214 VanDerWaalsContact O-CA 3.28Å; Q177-Y214 WeakPolarHBondContact O-CA 3.23Å; Q177-Y214 WeakPolarHBondContact O-CD1 3.33Å; K178-Y214 HydrophobicContact CB-CD1 4.4Å; K178-Y214 HydrophobicContact CB-CE1 4.05Å; Y214-A238 WeakPolarHBondContact O-CA 3.38Å; Y214-V239 WeakPolarHBondContact CA-O 3.31Å; Y214-V239 PolarHBondContact N-O 3.03Å; Y214-V239 PolarHBondContact O-N 2.81Å; Y214-T241 HydrophobicContact CD2-CG2 3.95Å; Y214-T241 HydrophobicContact CE2-CG2 4.09Å; Y214-T241 WeakPolarHBondContact CE2-OG1 3.5Å; Y214-N348 PolarHBondContact O-ND2 3.33Å
215	T	94.6	Very high	77.4	Confident	22 Å²	22	63.6 Å²	63.6	14%	0.135	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.2	173	51.1	0	0	0	0	108.4	Q177 V237 A238	Q177-T215 CarbonylContact C-O 3.55Å; Q177-T215 PolarHBondContact N-O 3.42Å; Q177-T215 PolarHBondContact O-N 2.88Å; T215-V237 CarbonylContact C-O 3.58Å; T215-V237 VanDerWaalsContact CA-O 3.27Å; T215-V237 WeakPolarHBondContact CA-O 3.29Å; T215-A238 HydrophobicContact CG2-CB 4.37Å
216	G	92.9	Very high	75.5	Confident	18 Å²	18	68 Å²	68	19%	0.186	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.3	-160.9	-178.2	0	0	0	0	0	114.4	K175 V237	K175-G216 WeakPolarHBondContact O-CA 3.32Å; G216-V237 VanDerWaalsContact C-CG1 3.45Å; G216-V237 PolarHBondContact N-O 3.33Å; G216-V237 WeakPolarHBondContact O-CG1 3.38Å; G216-V237 PolarHBondContact O-N 2.99Å
217	T	92.3	Very high	73.5	Confident	72 Å²	72	73.9 Å²	73.9	44%	0.442	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.4	-177.3	51.4	0	0	0	0	112.3	K175 N235	K175-T217 PolarHBondContact N-O 3.49Å; K175-T217 PolarHBondContact O-N 2.89Å; T217-N235 VanDerWaalsContact CA-O 3.29Å; T217-N235 WeakPolarHBondContact CA-O 3.34Å
218	V	90.9	Very high	71.9	Confident	2 Å²	2	77.5 Å²	77.5	1%	0.012	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.3	172.7	-169.7	0	0	0	0	108.6	I172 L174 N235 V237 I249 Y251	I172-V218 HydrophobicContact CB-CG1 3.95Å; I172-V218 HydrophobicContact CD1-CG1 3.79Å; I172-V218 HydrophobicContact CG1-CG1 4.38Å; I172-V218 HydrophobicContact CG2-CG1 4.37Å; L174-V218 HydrophobicContact CD2-CG1 4.27Å; L174-V218 HydrophobicContact CD2-CG2 3.94Å; V218-N235 HydrophobicContact CB-CB 4.1Å; V218-N235 PolarHBondContact N-O 3.4Å; V218-N235 VanDerWaalsContact O-CB 3.27Å; V218-N235 WeakPolarHBondContact O-CB 3.3Å; V218-V237 HydrophobicContact CG2-CB 4.09Å; V218-V237 HydrophobicContact CG2-CG1 4.23Å; V218-I249 HydrophobicContact CG2-CG2 3.76Å; V218-Y251 HydrophobicContact CB-CD2 4.13Å; V218-Y251 HydrophobicContact CG1-CD2 3.67Å; V218-Y251 HydrophobicContact CG1-CE2 4.35Å; V218-Y251 HydrophobicContact CG1-CG 4.05Å
219	V	86.2	Confident	70.9	Confident	34 Å²	34	74.4 Å²	74.4	21%	0.206	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.6	177.2	179.4	0	0	0	0	109.6	V173 K175	V173-V219 PolarHBondContact N-O 2.88Å; V173-V219 PolarHBondContact O-N 3.41Å; K175-V219 HydrophobicContact CD-CB 4.34Å; K175-V219 HydrophobicContact CD-CG2 3.78Å
220	N	80.3	Confident	69.6	Low	8 Å²	8	77.2 Å²	77.2	4%	0.043	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	140	176.2	-176.4	0.4	0	0	0	110.5	T222 E223	N220-T222 PolarHBondContact ND2-OG1 3.15Å; N220-T222 PolarHBondContact O-N 2.94Å; N220-T222 PolarHBondContact OD1-N 2.85Å; N220-T222 VanDerWaalsContact OD1-N 3.17Å; N220-T222 PolarHBondContact OD1-OG1 3.43Å; N220-E223 HydrophobicContact CB-CB 4.18Å; N220-E223 HydrophobicContact CB-CG 3.85Å; N220-E223 WeakPolarHBondContact CB-OE2 3.3Å; N220-E223 PolarHBondContact O-N 3.33Å
221	Q	67.1	Low	68.1	Low	95 Å²	95	77.2 Å²	77.2	44%	0.444	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.8	175.6	-177.8	171.9	-3.3	0	0	112.9	W163 T171	W163-Q221 HydrophobicContact CZ3-CB 4.24Å; W163-Q221 HydrophobicContact CZ3-CG 3.98Å; T171-Q221 VanDerWaalsContact O-CB 3.28Å; T171-Q221 WeakPolarHBondContact O-CB 3.45Å; T171-Q221 PolarHBondContact O-N 3.46Å; T171-Q221 VanDerWaalsContact O-N 3.08Å
222	T	61.2	Low	66.7	Low	109 Å²	109	84 Å²	84	67%	0.669	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	4.3	179.2	69.2	0	0	0	0	114.3	N220	N220-T222 PolarHBondContact ND2-OG1 3.15Å; N220-T222 PolarHBondContact O-N 2.94Å; N220-T222 PolarHBondContact OD1-N 2.85Å; N220-T222 VanDerWaalsContact OD1-N 3.17Å; N220-T222 PolarHBondContact OD1-OG1 3.43Å
223	E	56.8	Low	65	Low	99 Å²	99	90.6 Å²	90.6	46%	0.463	47%	0.474	S	S	.	.			trans	-108.2	45.9	-176	-71.1	174.3	169.9	0	0	112.5	N220 H225	N220-E223 HydrophobicContact CB-CB 4.18Å; N220-E223 HydrophobicContact CB-CG 3.85Å; N220-E223 WeakPolarHBondContact CB-OE2 3.3Å; N220-E223 PolarHBondContact O-N 3.33Å; E223-H225 PolarHBondContact O-N 2.91Å
224	D	46.1	Very low	63.8	Low	127 Å²	127	92.5 Å²	92.5	68%	0.679	49%	0.486	S	S	*	.	S	Bend	trans	-75.6	104.1	169.9	-88.7	-25.1	0	0	0	110.9	L226	D224-L226 PolarHBondContact O-N 3.43Å
225	H	48.5	Very low	63.5	Low	174 Å²	174	94.4 Å²	94.4	81%	0.806	50%	0.496	S	S	*	.	S	Bend	trans	76.5	-2.7	152.8	-66.9	-68.9	0	0	0	121.7	E223	E223-H225 PolarHBondContact O-N 2.91Å
226	L	42.5	Very low	63.4	Low	153 Å²	153	95 Å²	95	80%	0.801	50%	0.497	S	S	*	.			trans	-132.4	96.6	171.3	-78.4	93.1	0	0	0	114.5	D224	D224-L226 PolarHBondContact O-N 3.43Å
227	N	39.5	Very low	63.5	Low	146 Å²	146	94.2 Å²	94.2	78%	0.781	49%	0.488	S	S	*	.				-176.8	132.9	129.6	-97.6	-34.9	0	0	0	112.6	D229	N227-D229 VanDerWaalsContact C-N 3.29Å; N227-D229 PolarHBondContact O-N 2.74Å
228	L	41.9	Very low	63.6	Low	179 Å²	179	90.8 Å²	90.8	94%	0.937	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	39	-173.4	-165.7	66.3	0	0	0	112.8
229	D	42.7	Very low	63.8	Low	129 Å²	129	90.7 Å²	90.7	69%	0.69	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.8	22.1	-175.4	-146	4.9	0	0	0	113.4	N227 T231	N227-D229 VanDerWaalsContact C-N 3.29Å; N227-D229 PolarHBondContact O-N 2.74Å; D229-T231 PolarHBondContact O-N 3.19Å
230	T	43.9	Very low	64.1	Low	95 Å²	95	89.6 Å²	89.6	58%	0.583	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-78.6	4.8	179.5	38.9	0	0	0	0	114	K232 Y233	T230-K232 PolarHBondContact O-N 3.14Å; T230-Y233 PolarHBondContact O-N 3.27Å
231	T	44.1	Very low	64.6	Low	130 Å²	130	89.3 Å²	89.3	80%	0.798	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.3	-174.6	55.3	0	0	0	0	114.3	D229	D229-T231 PolarHBondContact O-N 3.19Å
232	K	50.5	Low	65.5	Low	171 Å²	171	86 Å²	86	74%	0.743	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-89.1	-13.1	-175.7	-160.3	169.9	-176.7	177.5	0	115.1	T230	T230-K232 PolarHBondContact O-N 3.14Å
233	Y	55.8	Low	66.5	Low	139 Å²	139	85.2 Å²	85.2	55%	0.545	44%	0.444	S	S	.	.			trans	-115.7	114.2	-174.5	-61.4	-63.8	0	0	0	112.6	T230 N235	T230-Y233 PolarHBondContact O-N 3.27Å; Y233-N235 PolarHBondContact O-N 3.23Å; Y233-N235 VanDerWaalsContact O-N 3.12Å
234	T	67	Low	67.9	Low	40 Å²	40	80.8 Å²	80.8	25%	0.245	43%	0.425	C	S	.	.			trans	-87.4	87.9	-173	87.2	0	0	0	0	111.3	Y236 H250 Q355	T234-Y236 PolarHBondContact O-N 2.97Å; T234-H250 PolarHBondContact O-CD2 3.45Å; T234-H250 PolarHBondContact OG1-CD2 3Å; T234-H250 PolarHBondContact OG1-NE2 3.15Å; T234-Q355 PolarHBondContact OG1-NE2 3.31Å
235	N	88.2	Confident	70	Confident	41 Å²	41	74.8 Å²	74.8	22%	0.219	39%	0.393	C	S	.	.			trans	-84.4	91.1	-175.9	-75.1	-16.1	0	0	0	111.7	T217 V218 Y233 H250 Y251	T217-N235 VanDerWaalsContact CA-O 3.29Å; T217-N235 WeakPolarHBondContact CA-O 3.34Å; V218-N235 HydrophobicContact CB-CB 4.1Å; V218-N235 PolarHBondContact N-O 3.4Å; V218-N235 VanDerWaalsContact O-CB 3.27Å; V218-N235 WeakPolarHBondContact O-CB 3.3Å; Y233-N235 PolarHBondContact O-N 3.23Å; Y233-N235 VanDerWaalsContact O-N 3.12Å; N235-H250 CarbonylContact C-O 3.59Å; N235-H250 WeakPolarHBondContact CA-O 3Å; N235-Y251 WeakPolarHBondContact OD1-CD2 3.3Å
236	Y	92.3	Very high	72.1	Confident	35 Å²	35	68.5 Å²	68.5	14%	0.137	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.2	-170.6	-168	-90	0	0	0	112.7	T234 A238 H250 T351 K352	T234-Y236 PolarHBondContact O-N 2.97Å; Y236-A238 HydrophobicContact CE1-CB 3.91Å; Y236-H250 PolarHBondContact N-O 3.13Å; Y236-H250 WeakPolarHBondContact O-CA 3.37Å; Y236-H250 PolarHBondContact O-N 3.46Å; Y236-T351 WeakPolarHBondContact OH-CB 3.35Å; Y236-T351 PolarHBondContact OH-OG1 3.49Å; Y236-K352 HydrophobicContact CD1-CB 3.68Å; Y236-K352 HydrophobicContact CD1-CG 3.73Å; Y236-K352 HydrophobicContact CE1-CB 3.66Å; Y236-K352 HydrophobicContact CE1-CG 4.24Å; Y236-K352 HydrophobicContact CG-CG 4.24Å
237	V	94.7	Very high	74.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136.7	174.1	49.5	0	0	0	0	111.2	L174 L176 T215 G216 V218 V239 I248 I249	L174-V237 HydrophobicContact CD1-CG2 4.19Å; L174-V237 HydrophobicContact CD2-CB 4.22Å; L174-V237 HydrophobicContact CD2-CG1 4.3Å; L174-V237 HydrophobicContact CD2-CG2 4.11Å; L176-V237 HydrophobicContact CD2-CB 4.32Å; L176-V237 HydrophobicContact CD2-CG1 3.52Å; L176-V237 HydrophobicContact CD2-CG2 3.79Å; T215-V237 CarbonylContact C-O 3.58Å; T215-V237 VanDerWaalsContact CA-O 3.27Å; T215-V237 WeakPolarHBondContact CA-O 3.29Å; G216-V237 VanDerWaalsContact C-CG1 3.45Å; G216-V237 PolarHBondContact N-O 3.33Å; G216-V237 WeakPolarHBondContact O-CG1 3.38Å; G216-V237 PolarHBondContact O-N 2.99Å; V218-V237 HydrophobicContact CG2-CB 4.09Å; V218-V237 HydrophobicContact CG2-CG1 4.23Å; V237-V239 HydrophobicContact CG2-CG1 3.88Å; V237-V239 HydrophobicContact CG2-CG2 4.14Å; V237-I248 WeakPolarHBondContact CA-O 3.35Å; V237-I248 WeakPolarHBondContact CG2-O 3.5Å; V237-I249 HydrophobicContact CG2-CG1 4.05Å
238	A	95.1	Very high	77.1	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	110.1	172.8	0	0	0	0	0	109.8	Y214 T215 Y236 G247 I248 N348	Y214-A238 WeakPolarHBondContact O-CA 3.38Å; T215-A238 HydrophobicContact CG2-CB 4.37Å; Y236-A238 HydrophobicContact CE1-CB 3.91Å; A238-G247 WeakPolarHBondContact O-CA 3.46Å; A238-I248 HydrophobicContact CB-CD1 4.49Å; A238-I248 HydrophobicContact CB-CG1 4.05Å; A238-I248 PolarHBondContact N-O 2.89Å; A238-I248 PolarHBondContact O-N 3.21Å; A238-N348 WeakPolarHBondContact CB-O 3.34Å
239	V	94.7	Very high	79.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153.9	-174.8	-67.4	0	0	0	0	111.1	L176 Y214 V237 L245 N246 I258 N348	L176-V239 HydrophobicContact CD1-CG2 3.62Å; L176-V239 HydrophobicContact CD2-CG2 4.02Å; Y214-V239 WeakPolarHBondContact CA-O 3.31Å; Y214-V239 PolarHBondContact N-O 3.03Å; Y214-V239 PolarHBondContact O-N 2.81Å; V237-V239 HydrophobicContact CG2-CG1 3.88Å; V237-V239 HydrophobicContact CG2-CG2 4.14Å; V239-L245 HydrophobicContact CB-CD2 4.27Å; V239-L245 HydrophobicContact CG2-CD2 3.85Å; V239-N246 CarbonylContact C-O 3.44Å; V239-N246 VanDerWaalsContact CA-O 3.27Å; V239-N246 WeakPolarHBondContact CA-O 3.41Å; V239-I258 HydrophobicContact CG1-CG2 3.75Å; V239-N348 PolarHBondContact N-ND2 3.25Å; V239-N348 PolarHBondContact O-ND2 3.33Å
240	N	92.5	Very high	81.8	Confident	12 Å²	12	40.6 Å²	40.6	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.9	162.3	81.6	82.6	0	0	0	110.5	C212 Y213 C242 G244 L245 N246 N345	C212-N240 WeakPolarHBondContact O-CA 3.39Å; Y213-N240 HydrophobicContact CD1-CB 3.52Å; Y213-N240 HydrophobicContact CE1-CB 3.7Å; Y213-N240 HydrophobicContact CG-CB 4.33Å; N240-C242 WeakPolarHBondContact OD1-CB 3.21Å; N240-C242 PolarHBondContact OD1-N 3.2Å; N240-C242 VanDerWaalsContact OD1-N 3.16Å; N240-C242 PolarHBondContact OD1-SG 3.37Å; N240-G244 VanDerWaalsContact O-O 3.08Å; N240-L245 WeakPolarHBondContact O-CA 3.42Å; N240-N246 PolarHBondContact N-O 3.33Å; N240-N246 PolarHBondContact ND2-O 3.46Å; N240-N246 PolarHBondContact O-N 3.14Å; N240-N246 VanDerWaalsContact O-N 3.08Å; N240-N345 VanDerWaalsContact ND2-CG 3.27Å; N240-N345 PolarHBondContact ND2-OD1 3.44Å
241	T	91.3	Very high	83.9	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.195	C	C	.	.			trans	-118.4	16.8	178.4	56.8	0	0	0	0	111.7	T149 F162 C212 Y214 S243 G244 L245	T149-T241 HydrophobicContact CG2-CG2 3.85Å; T149-T241 PolarHBondContact OG1-OG1 3.37Å; F162-T241 HydrophobicContact CE2-CG2 4.06Å; F162-T241 HydrophobicContact CZ-CG2 4.29Å; C212-T241 PolarHBondContact O-N 2.99Å; C212-T241 PolarHBondContact O-OG1 3.03Å; Y214-T241 HydrophobicContact CD2-CG2 3.95Å; Y214-T241 HydrophobicContact CE2-CG2 4.09Å; Y214-T241 WeakPolarHBondContact CE2-OG1 3.5Å; T241-S243 VanDerWaalsContact C-N 3.29Å; T241-S243 PolarHBondContact O-N 3.28Å; T241-G244 WeakPolarHBondContact CA-O 3.39Å; T241-L245 HydrophobicContact CG2-CD2 3.82Å
242	C	86.6	Confident	85.7	Confident	26 Å²	26	33.6 Å²	33.6	18%	0.176	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.6	-169	-53	0	0	0	0	112.7	C212 N240 H341	C212-C242 HydrophobicContact CB-CB 4.09Å; C212-C242 WeakPolarHBondContact CB-SG 3.38Å; C212-C242 WeakPolarHBondContact SG-CB 3.33Å; C212-C242 CovalentContact SG-SG 2.03Å; C212-C242 PolarHBondContact SG-SG 3Å; N240-C242 WeakPolarHBondContact OD1-CB 3.21Å; N240-C242 PolarHBondContact OD1-N 3.2Å; N240-C242 VanDerWaalsContact OD1-N 3.16Å; N240-C242 PolarHBondContact OD1-SG 3.37Å; C242-H341 VanDerWaalsContact SG-CE1 3.6Å
243	S	81.9	Confident	87.1	Confident	92 Å²	92	30.5 Å²	30.5	64%	0.643	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-147.8	45.3	176.9	-52.8	0	0	0	0	110.2	T241 P260	T241-S243 VanDerWaalsContact C-N 3.29Å; T241-S243 PolarHBondContact O-N 3.28Å; S243-P260 WeakPolarHBondContact O-CG 3.44Å
244	G	85.7	Confident	88.5	Confident	6 Å²	6	28.9 Å²	28.9	6%	0.062	17%	0.168	C	C	.	.	S	Bend	trans	90.6	175.8	-164.2	0	0	0	0	0	112.8	T147 N240 T241 N246	T147-G244 WeakPolarHBondContact OG1-CA 3.42Å; N240-G244 VanDerWaalsContact O-O 3.08Å; T241-G244 WeakPolarHBondContact CA-O 3.39Å; G244-N246 PolarHBondContact O-N 3.35Å
245	L	90.4	Very high	89.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.			trans	-75.2	106.3	-176.8	-77.1	168.1	0	0	0	112.7	P135 T147 F162 V239 N240 T241 I258 P260 H273	P135-L245 HydrophobicContact CB-CD1 3.67Å; P135-L245 HydrophobicContact CG-CD1 3.95Å; T147-L245 HydrophobicContact CG2-CD1 4.23Å; T147-L245 HydrophobicContact CG2-CG 4.43Å; F162-L245 HydrophobicContact CB-CD1 4.35Å; F162-L245 HydrophobicContact CD1-CD1 3.77Å; F162-L245 HydrophobicContact CD2-CD1 4.17Å; F162-L245 HydrophobicContact CD2-CD2 4.03Å; F162-L245 HydrophobicContact CE1-CD1 3.95Å; F162-L245 HydrophobicContact CE1-CG 4.45Å; F162-L245 HydrophobicContact CE2-CD1 4.32Å; F162-L245 HydrophobicContact CE2-CD2 3.82Å; F162-L245 HydrophobicContact CE2-CG 4.38Å; F162-L245 HydrophobicContact CG-CD1 3.85Å; F162-L245 HydrophobicContact CZ-CD1 4.19Å; F162-L245 HydrophobicContact CZ-CD2 4.17Å; F162-L245 HydrophobicContact CZ-CG 4.26Å; V239-L245 HydrophobicContact CB-CD2 4.27Å; V239-L245 HydrophobicContact CG2-CD2 3.85Å; N240-L245 WeakPolarHBondContact O-CA 3.42Å; T241-L245 HydrophobicContact CG2-CD2 3.82Å; L245-I258 HydrophobicContact CB-CD1 4.14Å; L245-I258 HydrophobicContact CD1-CD1 4.45Å; L245-P260 WeakPolarHBondContact O-CD 3.49Å; L245-H273 PolarHBondContact N-NE2 2.76Å; L245-H273 VanDerWaalsContact N-NE2 3.12Å; L245-H273 PolarHBondContact O-CD2 2.89Å; L245-H273 VanDerWaalsContact O-CD2 3.31Å
246	N	91.8	Very high	89.7	Confident	43 Å²	43	27 Å²	27	23%	0.23	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130	175.1	-180	17.3	0	0	0	110.8	V239 N240 G244 I258	V239-N246 CarbonylContact C-O 3.44Å; V239-N246 VanDerWaalsContact CA-O 3.27Å; V239-N246 WeakPolarHBondContact CA-O 3.41Å; N240-N246 PolarHBondContact N-O 3.33Å; N240-N246 PolarHBondContact ND2-O 3.46Å; N240-N246 PolarHBondContact O-N 3.14Å; N240-N246 VanDerWaalsContact O-N 3.08Å; G244-N246 PolarHBondContact O-N 3.35Å; N246-I258 CarbonylContact C-O 3.57Å; N246-I258 WeakPolarHBondContact CA-O 3.44Å; N246-I258 PolarHBondContact OD1-O 3.44Å
247	G	93.7	Very high	89.7	Confident	5 Å²	5	25.7 Å²	25.7	5%	0.052	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-144	176.2	0	0	0	0	0	113.7	A238 G257 I258	A238-G247 WeakPolarHBondContact O-CA 3.46Å; G247-G257 WeakPolarHBondContact O-CA 3.24Å; G247-I258 PolarHBondContact N-O 3.03Å; G247-I258 PolarHBondContact O-N 2.86Å
248	I	93.8	Very high	89.6	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.2	-174.6	65.9	-177.5	0	0	0	113.6	V237 A238 T255 Y256 Q349 K352 Y508	V237-I248 WeakPolarHBondContact CA-O 3.35Å; V237-I248 WeakPolarHBondContact CG2-O 3.5Å; A238-I248 HydrophobicContact CB-CD1 4.49Å; A238-I248 HydrophobicContact CB-CG1 4.05Å; A238-I248 PolarHBondContact N-O 2.89Å; A238-I248 PolarHBondContact O-N 3.21Å; I248-T255 HydrophobicContact CB-CG2 4.27Å; I248-Y256 CarbonylContact C-O 3.58Å; I248-Y256 WeakPolarHBondContact CA-O 3.06Å; I248-Q349 HydrophobicContact CD1-CB 4Å; I248-Q349 HydrophobicContact CD1-CG 4.1Å; I248-Q349 HydrophobicContact CG1-CG 4.13Å; I248-Q349 HydrophobicContact CG2-CG 4.29Å; I248-K352 HydrophobicContact CD1-CB 4.14Å; I248-K352 HydrophobicContact CD1-CD 3.85Å; I248-Y508 HydrophobicContact CD1-CD2 3.53Å; I248-Y508 HydrophobicContact CD1-CE2 3.45Å; I248-Y508 VanDerWaalsContact CD1-CE2 3.45Å; I248-Y508 HydrophobicContact CD1-CG 4.42Å; I248-Y508 HydrophobicContact CG2-CD1 4.44Å; I248-Y508 HydrophobicContact CG2-CD2 3.89Å; I248-Y508 HydrophobicContact CG2-CG 3.8Å
249	I	93.8	Very high	89.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.4	174.9	-57.9	166.7	0	0	0	107.1	L164 I172 L174 V218 V237 Y256 I258 L275	L164-I249 HydrophobicContact CD1-CD1 3.41Å; L164-I249 VanDerWaalsContact CD1-CD1 3.41Å; I172-I249 HydrophobicContact CD1-CG2 4.17Å; L174-I249 HydrophobicContact CD1-CD1 4.06Å; L174-I249 HydrophobicContact CD1-CG1 4.4Å; L174-I249 HydrophobicContact CD2-CD1 4.19Å; L174-I249 HydrophobicContact CD2-CG1 4.18Å; L174-I249 HydrophobicContact CD2-CG2 4.01Å; V218-I249 HydrophobicContact CG2-CG2 3.76Å; V237-I249 HydrophobicContact CG2-CG1 4.05Å; I249-Y256 PolarHBondContact N-O 3.27Å; I249-Y256 PolarHBondContact O-N 3.28Å; I249-I258 HydrophobicContact CD1-CB 4.09Å; I249-I258 HydrophobicContact CD1-CD1 4.26Å; I249-I258 HydrophobicContact CD1-CG2 4Å; I249-I258 HydrophobicContact CG1-CG2 4.28Å; I249-L275 HydrophobicContact CD1-CD1 3.93Å
250	H	90.3	Very high	89.1	Confident	11 Å²	11	30 Å²	30	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	173	-169.3	38.4	0	0	0	109.2	T234 N235 Y236 Q254 T255 K352	T234-H250 PolarHBondContact O-CD2 3.45Å; T234-H250 PolarHBondContact OG1-CD2 3Å; T234-H250 PolarHBondContact OG1-NE2 3.15Å; N235-H250 CarbonylContact C-O 3.59Å; N235-H250 WeakPolarHBondContact CA-O 3Å; Y236-H250 PolarHBondContact N-O 3.13Å; Y236-H250 WeakPolarHBondContact O-CA 3.37Å; Y236-H250 PolarHBondContact O-N 3.46Å; H250-Q254 WeakPolarHBondContact CA-O 3.49Å; H250-Q254 VanDerWaalsContact ND1-C 3.35Å; H250-Q254 PolarHBondContact ND1-O 2.76Å; H250-T255 PolarHBondContact ND1-OG1 3.17Å; H250-K352 HydrophobicContact CB-CD 4.29Å; H250-K352 WeakPolarHBondContact CD2-CE 3.43Å; H250-K352 VanDerWaalsContact CG-CE 3.5Å
251	Y	88	Confident	88.8	Confident	22 Å²	22	29.7 Å²	29.7	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	142.6	-174.4	178.4	-111.7	0	0	0	109.4	M166 I172 V218 N235 N253 Q254	M166-Y251 HydrophobicContact CE-CD1 4.43Å; I172-Y251 HydrophobicContact CG2-CD1 4.28Å; I172-Y251 HydrophobicContact CG2-CE1 3.9Å; I172-Y251 HydrophobicContact CG2-CE2 4.42Å; V218-Y251 HydrophobicContact CB-CD2 4.13Å; V218-Y251 HydrophobicContact CG1-CD2 3.67Å; V218-Y251 HydrophobicContact CG1-CE2 4.35Å; V218-Y251 HydrophobicContact CG1-CG 4.05Å; N235-Y251 WeakPolarHBondContact OD1-CD2 3.3Å; Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 PolarHBondContact O-N 2.78Å; Y251-Q254 PolarHBondContact N-O 3.36Å; Y251-Q254 PolarHBondContact O-N 2.97Å; Y251-Q254 VanDerWaalsContact O-O 3.08Å
252	A	81.6	Confident	88.3	Confident	56 Å²	56	34.5 Å²	34.5	46%	0.463	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	44.8	179.5	0	0	0	0	0	113.9	Q254	A252-Q254 PolarHBondContact O-N 3.08Å; A252-Q254 VanDerWaalsContact O-N 3.1Å
253	N	80.4	Confident	87.9	Confident	106 Å²	106	34.4 Å²	34.4	57%	0.567	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	14.2	-175.7	-155.1	39.1	0	0	0	116.4	Y251	Y251-N253 VanDerWaalsContact C-N 3.27Å; Y251-N253 PolarHBondContact O-N 2.78Å
254	Q	84.6	Confident	87.4	Confident	105 Å²	105	39.2 Å²	39.2	49%	0.491	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.8	174	-63.8	-169.8	7.4	0	0	110.7	H250 Y251 A252 Y256	H250-Q254 WeakPolarHBondContact CA-O 3.49Å; H250-Q254 VanDerWaalsContact ND1-C 3.35Å; H250-Q254 PolarHBondContact ND1-O 2.76Å; Y251-Q254 PolarHBondContact N-O 3.36Å; Y251-Q254 PolarHBondContact O-N 2.97Å; Y251-Q254 VanDerWaalsContact O-O 3.08Å; A252-Q254 PolarHBondContact O-N 3.08Å; A252-Q254 VanDerWaalsContact O-N 3.1Å; Q254-Y256 HydrophobicContact CB-CE2 3.91Å; Q254-Y256 PolarHBondContact OE1-OH 3.36Å
255	T	89.1	Confident	86.7	Confident	20 Å²	20	45.9 Å²	45.9	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.1	174.2	-53.7	0	0	0	0	109	I248 H250 H278 K352 Y508	I248-T255 HydrophobicContact CB-CG2 4.27Å; H250-T255 PolarHBondContact ND1-OG1 3.17Å; T255-H278 HydrophobicContact CG2-CB 4.4Å; T255-H278 WeakPolarHBondContact O-CB 3.48Å; T255-H278 PolarHBondContact O-N 3.28Å; T255-K352 PolarHBondContact OG1-NZ 2.78Å; T255-Y508 HydrophobicContact CG2-CD1 4.24Å; T255-Y508 HydrophobicContact CG2-CE1 3.83Å
256	Y	90.9	Very high	85.8	Confident	23 Å²	23	46.9 Å²	46.9	9%	0.09	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.9	174.6	-56.1	-89.1	0	0	0	109.2	M166 Y167 I248 I249 Q254 F276 P277	M166-Y256 HydrophobicContact CE-CD2 4.11Å; M166-Y256 HydrophobicContact CE-CE1 4.27Å; M166-Y256 HydrophobicContact CE-CE2 3.79Å; M166-Y256 HydrophobicContact CE-CG 4.48Å; Y167-Y256 HydrophobicContact CD2-CE1 4.27Å; Y167-Y256 HydrophobicContact CE2-CD1 4.05Å; Y167-Y256 AromaticContact CE2-CE1 3.59Å; Y167-Y256 HydrophobicContact CE2-CE1 3.59Å; I248-Y256 CarbonylContact C-O 3.58Å; I248-Y256 WeakPolarHBondContact CA-O 3.06Å; I249-Y256 PolarHBondContact N-O 3.27Å; I249-Y256 PolarHBondContact O-N 3.28Å; Q254-Y256 HydrophobicContact CB-CE2 3.91Å; Q254-Y256 PolarHBondContact OE1-OH 3.36Å; Y256-F276 CarbonylContact C-O 3.57Å; Y256-F276 WeakPolarHBondContact CA-O 3.41Å; Y256-P277 HydrophobicContact CD1-CB 4.37Å; Y256-P277 HydrophobicContact CE1-CB 4.43Å
257	G	91.8	Very high	84.7	Confident	6 Å²	6	49.1 Å²	49.1	6%	0.062	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	142.3	162.4	0	0	0	0	0	109.9	G247 L275 F276	G247-G257 WeakPolarHBondContact O-CA 3.24Å; G257-L275 WeakPolarHBondContact O-CA 3.34Å; G257-F276 PolarHBondContact N-O 3.44Å; G257-F276 WeakPolarHBondContact O-CD1 3.46Å; G257-F276 WeakPolarHBondContact O-CE1 3.18Å; G257-F276 PolarHBondContact O-N 2.95Å
258	I	92.8	Very high	83.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.9	167.3	-171.4	169.6	0	0	0	109	P135 L164 V239 L245 N246 G247 I249 H273 L274 L275	P135-I258 HydrophobicContact CG-CD1 4.49Å; L164-I258 HydrophobicContact CD1-CD1 3.99Å; L164-I258 HydrophobicContact CD2-CD1 3.96Å; V239-I258 HydrophobicContact CG1-CG2 3.75Å; L245-I258 HydrophobicContact CB-CD1 4.14Å; L245-I258 HydrophobicContact CD1-CD1 4.45Å; N246-I258 CarbonylContact C-O 3.57Å; N246-I258 WeakPolarHBondContact CA-O 3.44Å; N246-I258 PolarHBondContact OD1-O 3.44Å; G247-I258 PolarHBondContact N-O 3.03Å; G247-I258 PolarHBondContact O-N 2.86Å; I249-I258 HydrophobicContact CD1-CB 4.09Å; I249-I258 HydrophobicContact CD1-CD1 4.26Å; I249-I258 HydrophobicContact CD1-CG2 4Å; I249-I258 HydrophobicContact CG1-CG2 4.28Å; I258-H273 HydrophobicContact CD1-CB 4.4Å; I258-H273 HydrophobicContact CG1-CB 4.2Å; I258-L274 CarbonylContact C-O 3.55Å; I258-L274 WeakPolarHBondContact CA-O 3.14Å; I258-L275 HydrophobicContact CB-CD1 4.17Å
259	R	90.6	Very high	81.8	Confident	69 Å²	69	54 Å²	54	26%	0.26	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.2	-178.1	-172.4	-176.3	170.6	153.5	3.1	111.3	Y122 H273 L274 F276	Y122-R259 VanDerWaalsContact CZ-NH1 3.28Å; Y122-R259 PolarHBondContact OH-NH1 2.87Å; R259-H273 CarbonylContact O-C 3.58Å; R259-H273 WeakPolarHBondContact O-CA 3.49Å; R259-L274 PolarHBondContact N-O 2.84Å; R259-L274 PolarHBondContact O-N 3.14Å; R259-F276 HydrophobicContact CB-CE1 4.43Å
260	P	89.8	Confident	80.6	Confident	22 Å²	22	54.8 Å²	54.8	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	141.9	169.1	29.8	-34.8	0	0	0	110.6	S243 L245 I271 H273	S243-P260 WeakPolarHBondContact O-CG 3.44Å; L245-P260 WeakPolarHBondContact O-CD 3.49Å; P260-I271 HydrophobicContact CB-CG2 4.12Å; P260-H273 VanDerWaalsContact CA-CD2 3.45Å; P260-H273 WeakPolarHBondContact CA-CD2 3.14Å
261	L	85.9	Confident	80	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.026	30%	0.295	C	S	.	.			trans	-89.4	152.1	170.2	-63.3	171.9	0	0	0	110.8	V115 D119 L123 I132 C263 P272 L274	V115-L261 HydrophobicContact CG1-CB 3.41Å; V115-L261 VanDerWaalsContact CG1-CB 3.41Å; V115-L261 HydrophobicContact CG1-CD1 3.81Å; V115-L261 HydrophobicContact CG1-CG 4.21Å; D119-L261 HydrophobicContact CB-CD2 4.26Å; D119-L261 WeakPolarHBondContact OD2-CA 3.04Å; D119-L261 WeakPolarHBondContact OD2-CD2 3.35Å; L123-L261 HydrophobicContact CD2-CD2 4.16Å; I132-L261 HydrophobicContact CD1-CD1 4.18Å; I132-L261 HydrophobicContact CG1-CD1 4.3Å; I132-L261 HydrophobicContact CG2-CD1 3.84Å; L261-C263 PolarHBondContact O-N 3.12Å; L261-P272 HydrophobicContact CB-CG 4.41Å; L261-P272 PolarHBondContact N-O 2.88Å; L261-L274 HydrophobicContact CD1-CB 4.48Å; L261-L274 HydrophobicContact CD2-CB 3.96Å; L261-L274 HydrophobicContact CD2-CD2 4.48Å; L261-L274 HydrophobicContact CG-CB 4.18Å
262	H	81.2	Confident	79.9	Confident	103 Å²	103	55.1 Å²	55.1	48%	0.477	29%	0.291	S	S	.	.			trans	-78.7	91.3	-175.5	-59.7	108.1	0	0	0	111.5	T118 D119	T118-H262 HydrophobicContact CG2-CB 4.07Å; T118-H262 WeakPolarHBondContact CG2-O 3.15Å; D119-H262 IonicContact OD1-CE1 3.96Å; D119-H262 IonicContact OD1-CG 3.97Å; D119-H262 IonicContact OD1-ND1 2.72Å; D119-H262 PolarHBondContact OD1-ND1 3.14Å; D119-H262 IonicContact OD2-CG 3.78Å; D119-H262 PolarHBondContact OD2-N 3Å; D119-H262 IonicContact OD2-ND1 2.61Å; D119-H262 PolarHBondContact OD2-ND1 3.32Å
263	C	76.6	Confident	80.2	Confident	24 Å²	24	52.4 Å²	52.4	16%	0.162	27%	0.269	C	S	.	.			trans	-104	107.7	177.7	-167.3	0	0	0	0	112.4	V115 L261 Q265 C266	V115-C263 HydrophobicContact CG2-CB 3.51Å; V115-C263 WeakPolarHBondContact CG2-SG 3.49Å; L261-C263 PolarHBondContact O-N 3.12Å; C263-Q265 VanDerWaalsContact C-N 3.3Å; C263-C266 HydrophobicContact CB-CB 3.66Å; C263-C266 WeakPolarHBondContact CB-SG 3.49Å; C263-C266 VanDerWaalsContact SG-CA 3.59Å; C263-C266 WeakPolarHBondContact SG-CB 3.49Å; C263-C266 PolarHBondContact SG-N 2.04Å; C263-C266 CovalentContact SG-SG 2.02Å; C263-C266 PolarHBondContact SG-SG 3.42Å
264	K	73.2	Confident	80.7	Confident	193 Å²	193	47.4 Å²	47.4	84%	0.839	24%	0.242	S	C	*	.	S	Bend	trans	-78.5	-12.3	174.7	-66.5	178.4	-177.4	170.5	0	114.1
265	Q	71.2	Confident	81	Confident	145 Å²	145	42.4 Å²	42.4	68%	0.678	22%	0.218	S	C	*	.	S	Bend	trans	-112.3	-8.1	-173.8	-69	174.1	-27.5	0	0	113.4	S114 C263	S114-Q265 VanDerWaalsContact CB-OE1 3.26Å; S114-Q265 PolarHBondContact OG-OE1 3.21Å; C263-Q265 VanDerWaalsContact C-N 3.3Å
266	C	71.1	Confident	81	Confident	22 Å²	22	41.7 Å²	41.7	15%	0.149	21%	0.213	C	C	.	.	S	Bend	trans	-80.2	143.7	177.9	-61.9	0	0	0	0	109.7	C263 I271	C263-C266 HydrophobicContact CB-CB 3.66Å; C263-C266 WeakPolarHBondContact CB-SG 3.49Å; C263-C266 VanDerWaalsContact SG-CA 3.59Å; C263-C266 WeakPolarHBondContact SG-CB 3.49Å; C263-C266 PolarHBondContact SG-N 2.04Å; C263-C266 CovalentContact SG-SG 2.02Å; C263-C266 PolarHBondContact SG-SG 3.42Å; C266-I271 HydrophobicContact CB-CG1 4.44Å
267	D	67.6	Low	80.8	Confident	90 Å²	90	41.6 Å²	41.6	48%	0.481	22%	0.216	S	C	.	.			trans	-61.5	149.8	155.4	173.3	38.9	0	0	0	109.6	T269 A270	D267-T269 PolarHBondContact O-N 2.82Å; D267-T269 VanDerWaalsContact OD2-CB 3.3Å; D267-T269 WeakPolarHBondContact OD2-CB 3.41Å; D267-T269 WeakPolarHBondContact OD2-CG2 3.1Å; D267-T269 PolarHBondContact OD2-N 3.22Å; D267-T269 PolarHBondContact OD2-OG1 3.33Å; D267-A270 PolarHBondContact O-N 3.46Å
268	S	63.6	Low	80.5	Confident	75 Å²	75	42.7 Å²	42.7	52%	0.524	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	-30.2	168.5	61.4	0	0	0	0	114.3
269	T	63.7	Low	79.8	Confident	35 Å²	35	49.2 Å²	49.2	22%	0.215	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	3.2	179.8	75.9	0	0	0	0	115.4	H145 D146 D267	H145-T269 CarbonylContact C-O 3.59Å; H145-T269 WeakPolarHBondContact CB-O 2.97Å; H145-T269 VanDerWaalsContact O-O 3.07Å; D146-T269 HydrophobicContact CB-CG2 3.81Å; D267-T269 PolarHBondContact O-N 2.82Å; D267-T269 VanDerWaalsContact OD2-CB 3.3Å; D267-T269 WeakPolarHBondContact OD2-CB 3.41Å; D267-T269 WeakPolarHBondContact OD2-CG2 3.1Å; D267-T269 PolarHBondContact OD2-N 3.22Å; D267-T269 PolarHBondContact OD2-OG1 3.33Å
270	A	68	Low	79	Confident	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.252	C	S	.	.			trans	-135.5	23.6	-174.3	0	0	0	0	0	114.2	D267 P272	D267-A270 PolarHBondContact O-N 3.46Å; A270-P272 WeakPolarHBondContact O-CD 3.48Å
271	I	79.1	Confident	78.4	Confident	39 Å²	39	51.9 Å²	51.9	20%	0.2	26%	0.263	C	S	.	.			trans	-68.1	125.3	177.9	-58.9	172.1	0	0	0	109.6	P260 C266 H273	P260-I271 HydrophobicContact CB-CG2 4.12Å; C266-I271 HydrophobicContact CB-CG1 4.44Å; I271-H273 PolarHBondContact O-CE1 2.96Å; I271-H273 PolarHBondContact O-ND1 3.34Å
272	P	85	Confident	78	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.			trans	-74.6	147.4	173.5	28.3	-32.8	0	0	0	112.2	V115 I132 F134 L261 A270	V115-P272 HydrophobicContact CB-CG 4.45Å; V115-P272 HydrophobicContact CG1-CG 4Å; V115-P272 HydrophobicContact CG2-CG 4.07Å; I132-P272 HydrophobicContact CG2-CB 3.88Å; F134-P272 HydrophobicContact CD1-CB 4.19Å; F134-P272 HydrophobicContact CE1-CB 3.66Å; F134-P272 HydrophobicContact CE1-CG 4.3Å; F134-P272 HydrophobicContact CZ-CB 3.95Å; L261-P272 HydrophobicContact CB-CG 4.41Å; L261-P272 PolarHBondContact N-O 2.88Å; A270-P272 WeakPolarHBondContact O-CD 3.48Å
273	H	88.6	Confident	78	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	138.1	179.6	-64.1	71.3	0	0	0	111.3	I132 L133 P135 L245 I258 R259 P260 I271	I132-H273 WeakPolarHBondContact CA-O 3.38Å; L133-H273 HydrophobicContact CD1-CB 4.02Å; L133-H273 PolarHBondContact N-O 3.29Å; L133-H273 PolarHBondContact O-N 2.87Å; P135-H273 WeakPolarHBondContact CD-ND1 3.47Å; P135-H273 HydrophobicContact CG-CB 3.96Å; P135-H273 WeakPolarHBondContact CG-ND1 3.39Å; L245-H273 PolarHBondContact N-NE2 2.76Å; L245-H273 VanDerWaalsContact N-NE2 3.12Å; L245-H273 PolarHBondContact O-CD2 2.89Å; L245-H273 VanDerWaalsContact O-CD2 3.31Å; I258-H273 HydrophobicContact CD1-CB 4.4Å; I258-H273 HydrophobicContact CG1-CB 4.2Å; R259-H273 CarbonylContact O-C 3.58Å; R259-H273 WeakPolarHBondContact O-CA 3.49Å; P260-H273 VanDerWaalsContact CA-CD2 3.45Å; P260-H273 WeakPolarHBondContact CA-CD2 3.14Å; I271-H273 PolarHBondContact O-CE1 2.96Å; I271-H273 PolarHBondContact O-ND1 3.34Å
274	L	89.4	Confident	78	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	125	173.5	-176	76.1	0	0	0	109.6	Y122 L123 V126 F130 I131 I132 I258 R259 L261 F276	Y122-L274 HydrophobicContact CE1-CD2 3.88Å; L123-L274 HydrophobicContact CD2-CD1 3.78Å; L123-L274 HydrophobicContact CD2-CD2 4.09Å; V126-L274 HydrophobicContact CG1-CD2 4.04Å; V126-L274 HydrophobicContact CG2-CD2 3.73Å; F130-L274 HydrophobicContact CB-CD1 4.14Å; F130-L274 HydrophobicContact CD2-CD1 3.39Å; F130-L274 HydrophobicContact CE2-CD1 3.84Å; F130-L274 HydrophobicContact CG-CD1 3.85Å; I131-L274 WeakPolarHBondContact O-CA 3.43Å; I132-L274 HydrophobicContact CG1-CD1 4.08Å; I258-L274 CarbonylContact C-O 3.55Å; I258-L274 WeakPolarHBondContact CA-O 3.14Å; R259-L274 PolarHBondContact N-O 2.84Å; R259-L274 PolarHBondContact O-N 3.14Å; L261-L274 HydrophobicContact CD1-CB 4.48Å; L261-L274 HydrophobicContact CD2-CB 3.96Å; L261-L274 HydrophobicContact CD2-CD2 4.48Å; L261-L274 HydrophobicContact CG-CB 4.18Å; L274-F276 HydrophobicContact CD2-CD1 3.87Å; L274-F276 HydrophobicContact CD2-CE1 4.26Å; L274-F276 HydrophobicContact CG-CD1 3.94Å
275	L	90.9	Very high	78.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	124.8	171.8	-176.9	77.5	0	0	0	109.1	F130 I131 L133 M166 Y167 I249 G257 I258	F130-L275 CarbonylContact C-O 3.55Å; F130-L275 WeakPolarHBondContact CA-O 3.34Å; F130-L275 WeakPolarHBondContact CB-O 3.3Å; I131-L275 HydrophobicContact CB-CB 4.38Å; I131-L275 HydrophobicContact CD1-CD2 4.11Å; I131-L275 PolarHBondContact N-O 3.38Å; I131-L275 PolarHBondContact O-N 2.84Å; L133-L275 HydrophobicContact CD2-CB 4.06Å; L133-L275 HydrophobicContact CD2-CD2 4.06Å; M166-L275 HydrophobicContact CE-CD2 4.2Å; M166-L275 HydrophobicContact SD-CD2 3.66Å; Y167-L275 HydrophobicContact CE2-CD2 4.48Å; Y167-L275 PolarHBondContact OH-O 2.73Å; Y167-L275 VanDerWaalsContact OH-O 3.09Å; I249-L275 HydrophobicContact CD1-CD1 3.93Å; G257-L275 WeakPolarHBondContact O-CA 3.34Å; I258-L275 HydrophobicContact CB-CD1 4.17Å
276	F	89.2	Confident	78.2	Confident	5 Å²	5	48.9 Å²	48.9	2%	0.022	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.5	-173.5	57.3	-82.2	0	0	0	111.4	V126 F130 Y256 G257 R259 L274 H278 M506	V126-F276 HydrophobicContact CG1-CB 3.68Å; V126-F276 HydrophobicContact CG1-CD1 4.45Å; V126-F276 HydrophobicContact CG1-CD2 4.44Å; V126-F276 HydrophobicContact CG1-CG 3.95Å; F130-F276 HydrophobicContact CB-CB 3.88Å; Y256-F276 CarbonylContact C-O 3.57Å; Y256-F276 WeakPolarHBondContact CA-O 3.41Å; G257-F276 PolarHBondContact N-O 3.44Å; G257-F276 WeakPolarHBondContact O-CD1 3.46Å; G257-F276 WeakPolarHBondContact O-CE1 3.18Å; G257-F276 PolarHBondContact O-N 2.95Å; R259-F276 HydrophobicContact CB-CE1 4.43Å; L274-F276 HydrophobicContact CD2-CD1 3.87Å; L274-F276 HydrophobicContact CD2-CE1 4.26Å; L274-F276 HydrophobicContact CG-CD1 3.94Å; F276-H278 PolarHBondContact O-N 2.95Å; F276-M506 HydrophobicContact CE2-CE 4.12Å; F276-M506 HydrophobicContact CE2-SD 4.4Å; F276-M506 HydrophobicContact CZ-CE 3.63Å; F276-M506 HydrophobicContact CZ-SD 4.4Å
277	P	88.3	Confident	78.2	Confident	22 Å²	22	49.5 Å²	49.5	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.6	175.4	29.6	-33.8	0	0	0	110	P127 P129 Y256 R279	P127-P277 HydrophobicContact CB-CG 4.48Å; P127-P277 WeakPolarHBondContact CB-O 3.45Å; P129-P277 WeakPolarHBondContact O-CD 3.47Å; Y256-P277 HydrophobicContact CD1-CB 4.37Å; Y256-P277 HydrophobicContact CE1-CB 4.43Å; P277-R279 PolarHBondContact O-N 3.31Å
278	H	85.5	Confident	78.3	Confident	28 Å²	28	54.3 Å²	54.3	13%	0.13	28%	0.28	C	S	.	.			trans	-74.9	109.8	173.7	179.1	84.5	0	0	0	110.1	T255 F276 S280 Y508	T255-H278 HydrophobicContact CG2-CB 4.4Å; T255-H278 WeakPolarHBondContact O-CB 3.48Å; T255-H278 PolarHBondContact O-N 3.28Å; F276-H278 PolarHBondContact O-N 2.95Å; H278-S280 PolarHBondContact CD2-OG 3.34Å; H278-S280 PolarHBondContact O-N 3.35Å; H278-Y508 AromaticContact CD2-CD1 3.54Å; H278-Y508 AromaticContact CD2-CE1 3.94Å; H278-Y508 AromaticContact CE1-CD1 3.85Å; H278-Y508 AromaticContact CG-CD1 3.75Å; H278-Y508 AromaticContact ND1-CD1 3.94Å; H278-Y508 AromaticContact NE2-CD1 3.6Å
279	R	78.3	Confident	78.9	Confident	139 Å²	139	52.1 Å²	52.1	53%	0.525	26%	0.262	S	S	.	.			trans	-78.9	101.2	170.6	-64	-176.1	-175.5	-147.6	2.9	109.3	H50 P127 L128 P277 K281	H50-R279 PolarHBondContact NE2-NH1 3.17Å; P127-R279 HydrophobicContact CB-CG 4Å; P127-R279 HydrophobicContact CG-CG 4.34Å; L128-R279 PolarHBondContact O-NH2 3.29Å; P277-R279 PolarHBondContact O-N 3.31Å; R279-K281 PolarHBondContact O-N 3.09Å; R279-K281 VanDerWaalsContact O-N 3.12Å
280	S	73.5	Confident	79.4	Confident	61 Å²	61	53.4 Å²	53.4	43%	0.427	27%	0.272	S	S	.	.			trans	-64	108.3	179.1	-70.4	0	0	0	0	112.1	H278 L282	H278-S280 PolarHBondContact CD2-OG 3.34Å; H278-S280 PolarHBondContact O-N 3.35Å; S280-L282 PolarHBondContact O-N 2.82Å
281	K	77.1	Confident	80.1	Confident	85 Å²	85	54.8 Å²	54.8	37%	0.37	28%	0.278	S	S	.	.			trans	-52.2	131.8	163.1	-163.7	-169.2	-159.2	177	0	109.7	R279 E482 D505 H509 R512	R279-K281 PolarHBondContact O-N 3.09Å; R279-K281 VanDerWaalsContact O-N 3.12Å; K281-E482 WeakPolarHBondContact CE-OE1 3.34Å; K281-E482 IonicContact NZ-OE1 3.43Å; K281-E482 PolarHBondContact NZ-OE1 3.13Å; K281-D505 IonicContact NZ-OD2 2.74Å; K281-D505 PolarHBondContact NZ-OD2 3Å; K281-H509 WeakPolarHBondContact CD-NE2 3.43Å; K281-R512 VanDerWaalsContact O-CZ 3.3Å; K281-R512 PolarHBondContact O-NH1 3.39Å; K281-R512 PolarHBondContact O-NH2 3.14Å
282	L	77.9	Confident	80.3	Confident	141 Å²	141	55 Å²	55	74%	0.738	28%	0.278	S	S	*	.			trans	-69.2	131.1	174.7	-172.6	68.3	0	0	0	109.1	S280	S280-L282 PolarHBondContact O-N 2.82Å
283	I	80.8	Confident	80.3	Confident	14 Å²	14	57.5 Å²	57.5	7%	0.072	29%	0.287	C	S	.	.			trans	-106.3	115.2	177.5	-59.8	165.6	0	0	0	106.8	R285 Y483 R512 L513 L516	I283-R285 PolarHBondContact O-N 2.86Å; I283-Y483 HydrophobicContact CG2-CD1 4.49Å; I283-Y483 HydrophobicContact CG2-CE1 3.98Å; I283-R512 HydrophobicContact CD1-CB 3.95Å; I283-L513 HydrophobicContact CD1-CD2 3.94Å; I283-L513 HydrophobicContact CD1-CG 4.44Å; I283-L513 HydrophobicContact CG1-CD2 4.29Å; I283-L513 HydrophobicContact CG2-CD2 4.07Å; I283-L516 HydrophobicContact CB-CD1 4.22Å; I283-L516 HydrophobicContact CD1-CD1 3.83Å; I283-L516 HydrophobicContact CG2-CD1 3.74Å
284	N	76	Confident	79.7	Confident	106 Å²	106	63.3 Å²	63.3	57%	0.567	31%	0.309	S	S	*	.			trans	-75.3	119.2	176.3	-171.3	-8.3	0	0	0	109.6	D286 V287	N284-D286 PolarHBondContact OD1-N 3.46Å; N284-D286 VanDerWaalsContact OD1-N 3.09Å; N284-V287 HydrophobicContact CB-CG2 3.74Å; N284-V287 VanDerWaalsContact CG-CG2 3.42Å; N284-V287 WeakPolarHBondContact ND2-CG2 3.49Å
285	R	76.8	Confident	79	Confident	53 Å²	53	68.9 Å²	68.9	20%	0.2	35%	0.345	C	S	.	.	S	Bend	trans	-92.9	-19.3	-177.7	-54.9	-176.6	-164.4	-178.4	3.6	113.5	I283 L540 D545	I283-R285 PolarHBondContact O-N 2.86Å; R285-L540 PolarHBondContact NH2-O 2.04Å; R285-D545 IonicContact CZ-OD2 2.64Å; R285-D545 IonicContact NH1-OD1 3.59Å; R285-D545 IonicContact NH1-OD2 2.72Å; R285-D545 PolarHBondContact NH1-OD2 2.84Å; R285-D545 IonicContact NH2-OD2 2.74Å
286	D	73	Confident	78.3	Confident	93 Å²	93	69.6 Å²	69.6	50%	0.497	35%	0.35	S	S	.	.			trans	-108	22	-167.4	-60.5	-25.4	0	0	0	111.8	N284 Q288 Y536	N284-D286 PolarHBondContact OD1-N 3.46Å; N284-D286 VanDerWaalsContact OD1-N 3.09Å; D286-Q288 PolarHBondContact O-N 2.92Å; D286-Y536 VanDerWaalsContact OD2-CE1 3.25Å; D286-Y536 WeakPolarHBondContact OD2-CE1 2.94Å; D286-Y536 PolarHBondContact OD2-OH 3.25Å
287	V	70.8	Confident	77.7	Confident	36 Å²	36	73.1 Å²	73.1	22%	0.218	37%	0.369	C	S	.	.			trans	-66.2	119.4	175.8	-176.7	0	0	0	0	109.8	N284 L289 P480 V481	N284-V287 HydrophobicContact CB-CG2 3.74Å; N284-V287 VanDerWaalsContact CG-CG2 3.42Å; N284-V287 WeakPolarHBondContact ND2-CG2 3.49Å; V287-L289 PolarHBondContact O-N 2.79Å; V287-P480 HydrophobicContact CG1-CG 3.93Å; V287-V481 HydrophobicContact CB-CG1 3.59Å; V287-V481 HydrophobicContact CG1-CG1 3.55Å; V287-V481 HydrophobicContact CG2-CG1 3.98Å
288	Q	68.9	Low	77	Confident	190 Å²	190	73.3 Å²	73.3	89%	0.888	37%	0.368	S	S	*	.			trans	-72.5	101.1	177.7	-62.6	-174.5	20.4	0	0	110.5	D286	D286-Q288 PolarHBondContact O-N 2.92Å
289	L	76.3	Confident	76.5	Confident	29 Å²	29	77.9 Å²	77.9	15%	0.152	39%	0.388	C	S	.	.			trans	-88.7	154	162.6	-60.1	179.3	0	0	0	109.2	V287 V291 I381 N479 V481 I484	V287-L289 PolarHBondContact O-N 2.79Å; L289-V291 HydrophobicContact CB-CG1 4.08Å; L289-V291 HydrophobicContact CB-CG2 4.46Å; L289-V291 PolarHBondContact O-N 2.79Å; L289-I381 HydrophobicContact CD1-CG2 4.44Å; L289-N479 HydrophobicContact CD2-CB 3.97Å; L289-V481 HydrophobicContact CD1-CG1 4.22Å; L289-V481 HydrophobicContact CD1-CG2 4.12Å; L289-V481 HydrophobicContact CD2-CG1 4Å; L289-V481 HydrophobicContact CD2-CG2 4.16Å; L289-V481 HydrophobicContact CG-CG1 4.22Å; L289-I484 HydrophobicContact CD1-CD1 3.68Å; L289-I484 HydrophobicContact CD1-CG1 4.15Å
290	P	74.8	Confident	76.1	Confident	63 Å²	63	76.1 Å²	76.1	41%	0.409	39%	0.389	S	S	.	.	S	Bend	trans	-72.5	80	172.6	30.4	-34.6	0	0	0	109.7	K382	P290-K382 WeakPolarHBondContact O-CD 3.01Å; P290-K382 PolarHBondContact O-NZ 2.95Å
291	V	82.2	Confident	75.9	Confident	46 Å²	46	74 Å²	74	28%	0.279	37%	0.372	S	S	.	.			trans	-126.6	147.9	-179.9	-65.6	0	0	0	0	111.6	L289 W293 K382 I484 E588	L289-V291 HydrophobicContact CB-CG1 4.08Å; L289-V291 HydrophobicContact CB-CG2 4.46Å; L289-V291 PolarHBondContact O-N 2.79Å; V291-W293 HydrophobicContact CB-CG 4.48Å; V291-K382 HydrophobicContact CG1-CD 4.2Å; V291-I484 HydrophobicContact CG1-CD1 4.47Å; V291-E588 WeakPolarHBondContact CA-OE1 3.35Å; V291-E588 WeakPolarHBondContact CB-OE1 3.27Å
292	F	83.6	Confident	75.4	Confident	44 Å²	44	74.9 Å²	74.9	19%	0.193	38%	0.379	C	S	.	.			trans	-120.9	25.7	-171.9	-51.8	-79.4	0	0	0	113.2	R294 E588 A617 A621 V622 T624	F292-R294 PolarHBondContact O-N 3.47Å; F292-E588 HydrophobicContact CB-CB 3.99Å; F292-E588 HydrophobicContact CB-CG 4.33Å; F292-E588 PolarHBondContact N-OE1 2.84Å; F292-A617 HydrophobicContact CD2-CB 3.63Å; F292-A617 HydrophobicContact CE2-CB 3.92Å; F292-A621 HydrophobicContact CE2-CB 4.33Å; F292-A621 WeakPolarHBondContact CE2-O 3.39Å; F292-A621 VanDerWaalsContact CZ-O 3.25Å; F292-A621 WeakPolarHBondContact CZ-O 3.48Å; F292-V622 VanDerWaalsContact CE1-O 3.25Å; F292-V622 WeakPolarHBondContact CE1-O 3.39Å; F292-V622 VanDerWaalsContact CZ-C 3.47Å; F292-V622 WeakPolarHBondContact CZ-O 3.41Å; F292-T624 HydrophobicContact CD2-CG2 3.89Å; F292-T624 HydrophobicContact CE2-CG2 4.25Å; F292-T624 HydrophobicContact CG-CG2 4.38Å
293	W	83.8	Confident	74.5	Confident	53 Å²	53	74.3 Å²	74.3	20%	0.201	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-52.5	121.2	174.4	-49.2	126	0	0	0	110.8	V291 L385 I486 P487 E588 L616	V291-W293 HydrophobicContact CB-CG 4.48Å; W293-L385 HydrophobicContact CZ2-CD2 4.42Å; W293-I486 HydrophobicContact CE3-CG2 4.4Å; W293-I486 HydrophobicContact CH2-CB 4.08Å; W293-I486 HydrophobicContact CH2-CD1 3.97Å; W293-I486 HydrophobicContact CH2-CG1 3.66Å; W293-I486 HydrophobicContact CH2-CG2 3.73Å; W293-I486 HydrophobicContact CZ2-CB 4.49Å; W293-I486 HydrophobicContact CZ2-CG1 4.14Å; W293-I486 HydrophobicContact CZ2-CG2 4.44Å; W293-I486 HydrophobicContact CZ3-CG1 4.47Å; W293-I486 HydrophobicContact CZ3-CG2 3.7Å; W293-P487 HydrophobicContact CB-CG 3.86Å; W293-P487 HydrophobicContact CD2-CG 3.83Å; W293-P487 VanDerWaalsContact CE2-CD 3.49Å; W293-P487 HydrophobicContact CE3-CG 4.47Å; W293-P487 HydrophobicContact CG-CG 3.52Å; W293-E588 HydrophobicContact CD2-CG 4.02Å; W293-E588 HydrophobicContact CE3-CG 3.51Å; W293-E588 HydrophobicContact CH2-CG 4.07Å; W293-E588 HydrophobicContact CZ3-CG 3.54Å; W293-L616 HydrophobicContact CH2-CD2 3.44Å; W293-L616 VanDerWaalsContact CH2-CD2 3.44Å; W293-L616 HydrophobicContact CZ3-CD2 3.45Å; W293-L616 VanDerWaalsContact CZ3-CD2 3.45Å
294	R	77.4	Confident	73.5	Confident	122 Å²	122	79.8 Å²	79.8	46%	0.46	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-81.5	136.6	169.7	-68.8	-175.6	171.6	-175.6	-3	109.4	F292 T296 I583 H625	F292-R294 PolarHBondContact O-N 3.47Å; R294-T296 PolarHBondContact O-N 2.9Å; R294-I583 HydrophobicContact CG-CG2 4.26Å; R294-H625 PolarHBondContact NH2-CD2 2.93Å; R294-H625 PolarHBondContact NH2-NE2 2.91Å
295	P	73.5	Confident	72.3	Confident	116 Å²	116	84 Å²	84	75%	0.753	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-57.9	131	169.6	-22.3	33.2	0	0	0	110.2	D297	P295-D297 PolarHBondContact O-N 3.23Å
296	T	77.3	Confident	71	Confident	16 Å²	16	84.7 Å²	84.7	10%	0.098	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-62.8	134.2	178.3	-64.7	0	0	0	0	111.3	R294 I298 I301 D488 M557 R585	R294-T296 PolarHBondContact O-N 2.9Å; T296-I298 VanDerWaalsContact C-N 3.31Å; T296-I298 PolarHBondContact O-N 3.03Å; T296-I301 HydrophobicContact CG2-CD1 3.47Å; T296-I301 VanDerWaalsContact CG2-CD1 3.47Å; T296-D488 WeakPolarHBondContact CB-OD2 3.46Å; T296-D488 PolarHBondContact N-OD2 3.09Å; T296-D488 WeakPolarHBondContact OG1-CB 3.43Å; T296-D488 VanDerWaalsContact OG1-CG 3.28Å; T296-D488 PolarHBondContact OG1-OD2 3.19Å; T296-M557 HydrophobicContact CG2-SD 3.78Å; T296-R585 HydrophobicContact CG2-CG 3.77Å
297	D	75.4	Confident	70	Confident	79 Å²	79	88.6 Å²	88.6	42%	0.422	44%	0.443	S	S	.	.			trans	-75.2	86.5	172.1	-171.8	-19.3	0	0	0	110.6	P295 F299 N300 I301	P295-D297 PolarHBondContact O-N 3.23Å; D297-F299 PolarHBondContact O-N 3.34Å; D297-F299 WeakPolarHBondContact OD1-CB 3.37Å; D297-F299 PolarHBondContact OD1-N 3.33Å; D297-N300 HydrophobicContact CB-CB 4.26Å; D297-N300 PolarHBondContact O-N 3.14Å; D297-N300 PolarHBondContact OD1-N 2.9Å; D297-N300 VanDerWaalsContact OD1-N 3.12Å; D297-N300 PolarHBondContact OD2-ND2 3.14Å; D297-I301 PolarHBondContact O-N 3.22Å
298	I	74.9	Confident	69.1	Low	25 Å²	25	89.4 Å²	89.4	13%	0.128	45%	0.447	C	S	.	.	H	α-helix	trans	-55.6	-35	177.5	-59.3	146.9	0	0	0	111.7	T296 I301 M302 F527	T296-I298 VanDerWaalsContact C-N 3.31Å; T296-I298 PolarHBondContact O-N 3.03Å; I298-I301 PolarHBondContact O-N 2.91Å; I298-I301 VanDerWaalsContact O-N 3.12Å; I298-M302 HydrophobicContact CG2-CG 3.86Å; I298-M302 HydrophobicContact CG2-SD 3.56Å; I298-M302 VanDerWaalsContact CG2-SD 3.56Å; I298-M302 WeakPolarHBondContact O-CG 3.42Å; I298-M302 PolarHBondContact O-N 3.41Å; I298-F527 HydrophobicContact CB-CZ 4.45Å; I298-F527 HydrophobicContact CD1-CD1 3.83Å; I298-F527 HydrophobicContact CD1-CE1 3.4Å; I298-F527 HydrophobicContact CD1-CE2 4.21Å; I298-F527 HydrophobicContact CD1-CG 4.42Å; I298-F527 HydrophobicContact CD1-CZ 3.61Å; I298-F527 HydrophobicContact CG1-CE1 3.96Å; I298-F527 HydrophobicContact CG1-CE2 4.36Å; I298-F527 HydrophobicContact CG1-CZ 3.71Å; I298-F527 HydrophobicContact CG2-CE1 3.89Å; I298-F527 HydrophobicContact CG2-CZ 3.82Å
299	F	73.5	Confident	68.2	Low	125 Å²	125	88.3 Å²	88.3	55%	0.548	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-40.6	-176.6	-65.3	-76.4	0	0	0	111.1	D297 I301 M302 N303	D297-F299 PolarHBondContact O-N 3.34Å; D297-F299 WeakPolarHBondContact OD1-CB 3.37Å; D297-F299 PolarHBondContact OD1-N 3.33Å; F299-I301 PolarHBondContact O-N 2.9Å; F299-M302 PolarHBondContact O-N 3.25Å; F299-N303 VanDerWaalsContact O-CB 3.23Å; F299-N303 WeakPolarHBondContact O-CB 3.06Å; F299-N303 PolarHBondContact O-N 3.39Å; F299-N303 PolarHBondContact O-ND2 3.02Å
300	N	70.7	Confident	67.2	Low	101 Å²	101	88.7 Å²	88.7	54%	0.54	44%	0.443	S	S	.	.	H	α-helix	trans	-65	-18.7	173.3	-86.9	-38.6	0	0	0	113.9	D297 R304	D297-N300 HydrophobicContact CB-CB 4.26Å; D297-N300 PolarHBondContact O-N 3.14Å; D297-N300 PolarHBondContact OD1-N 2.9Å; D297-N300 VanDerWaalsContact OD1-N 3.12Å; D297-N300 PolarHBondContact OD2-ND2 3.14Å; N300-R304 WeakPolarHBondContact O-CG 3.42Å; N300-R304 PolarHBondContact O-NE 2.9Å
301	I	70.2	Confident	66	Low	17 Å²	17	93.1 Å²	93.1	9%	0.087	46%	0.458	C	S	.	.	H	α-helix	trans	-88	-51.1	172.9	-56.7	178	0	0	0	110.4	T296 D297 I298 F299 N303 R304 S555 M557 F574	T296-I301 HydrophobicContact CG2-CD1 3.47Å; T296-I301 VanDerWaalsContact CG2-CD1 3.47Å; D297-I301 PolarHBondContact O-N 3.22Å; I298-I301 PolarHBondContact O-N 2.91Å; I298-I301 VanDerWaalsContact O-N 3.12Å; F299-I301 PolarHBondContact O-N 2.9Å; I301-N303 VanDerWaalsContact C-N 3.31Å; I301-N303 PolarHBondContact O-N 3.45Å; I301-R304 VanDerWaalsContact O-CB 3.3Å; I301-R304 WeakPolarHBondContact O-CB 3.49Å; I301-R304 PolarHBondContact O-N 3.23Å; I301-R304 VanDerWaalsContact O-N 3.07Å; I301-S555 WeakPolarHBondContact CG2-O 3.48Å; I301-M557 HydrophobicContact CD1-CG 3.55Å; I301-M557 HydrophobicContact CD1-SD 3.97Å; I301-M557 HydrophobicContact CG2-CG 4.39Å; I301-F574 HydrophobicContact CD1-CE1 4.06Å; I301-F574 HydrophobicContact CG1-CE1 4.2Å; I301-F574 HydrophobicContact CG2-CE1 4.18Å; I301-F574 HydrophobicContact CG2-CZ 3.81Å
302	M	66.2	Low	64.6	Low	103 Å²	103	93.6 Å²	93.6	51%	0.507	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-29.6	-178.9	-69.1	-176.1	71.6	0	0	113.8	I298 F299 R304	I298-M302 HydrophobicContact CG2-CG 3.86Å; I298-M302 HydrophobicContact CG2-SD 3.56Å; I298-M302 VanDerWaalsContact CG2-SD 3.56Å; I298-M302 WeakPolarHBondContact O-CG 3.42Å; I298-M302 PolarHBondContact O-N 3.41Å; F299-M302 PolarHBondContact O-N 3.25Å; M302-R304 PolarHBondContact O-N 2.7Å
303	N	59.4	Low	63.6	Low	129 Å²	129	97.7 Å²	97.7	69%	0.69	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18.8	175	-76.1	-23.8	0	0	0	113	F299 I301 K305	F299-N303 VanDerWaalsContact O-CB 3.23Å; F299-N303 WeakPolarHBondContact O-CB 3.06Å; F299-N303 PolarHBondContact O-N 3.39Å; F299-N303 PolarHBondContact O-ND2 3.02Å; I301-N303 VanDerWaalsContact C-N 3.31Å; I301-N303 PolarHBondContact O-N 3.45Å; N303-K305 PolarHBondContact O-N 3.43Å
304	R	58.8	Low	63.1	Low	130 Å²	130	98.7 Å²	98.7	49%	0.491	51%	0.507	S	S	.	.	S	Bend	trans	-73.2	112.5	168.8	-59.3	168.3	179	-150.2	-6.8	106.9	N300 I301 M302 S306 S573	N300-R304 WeakPolarHBondContact O-CG 3.42Å; N300-R304 PolarHBondContact O-NE 2.9Å; I301-R304 VanDerWaalsContact O-CB 3.3Å; I301-R304 WeakPolarHBondContact O-CB 3.49Å; I301-R304 PolarHBondContact O-N 3.23Å; I301-R304 VanDerWaalsContact O-N 3.07Å; M302-R304 PolarHBondContact O-N 2.7Å; R304-S306 PolarHBondContact O-N 3.49Å; R304-S573 PolarHBondContact NH1-O 3.06Å
305	K	50.1	Low	63.6	Low	195 Å²	195	96.1 Å²	96.1	85%	0.848	50%	0.502	S	S	*	.			trans	-48.3	110.3	176.8	-71.8	-179.4	178.5	176.2	0	109.7	N303 L307	N303-K305 PolarHBondContact O-N 3.43Å; K305-L307 PolarHBondContact O-N 3.25Å
306	S	50.7	Low	64.4	Low	66 Å²	66	90.9 Å²	90.9	46%	0.462	47%	0.468	S	S	.	.			trans	-53.1	99.7	173.1	159.5	0	0	0	0	108.9	R304 V308	R304-S306 PolarHBondContact O-N 3.49Å; S306-V308 PolarHBondContact O-N 3.38Å
307	L	50.7	Low	65	Low	176 Å²	176	90.5 Å²	90.5	92%	0.921	47%	0.465	S	S	*	.	S	Bend	trans	-64.5	-13.8	-168.9	-87.4	163.5	0	0	0	113.5	K305	K305-L307 PolarHBondContact O-N 3.25Å
308	V	52.5	Low	65.8	Low	52 Å²	52	86.8 Å²	86.8	32%	0.315	45%	0.445	S	S	.	.			trans	-112.6	104.9	179	-163.8	0	0	0	0	111	S306 V310 I565	S306-V308 PolarHBondContact O-N 3.38Å; V308-V310 HydrophobicContact CB-CG2 4.13Å; V308-V310 HydrophobicContact CG1-CG2 3.49Å; V308-V310 VanDerWaalsContact CG1-CG2 3.49Å; V308-V310 PolarHBondContact O-N 3.43Å; V308-I565 HydrophobicContact CB-CD1 4.23Å; V308-I565 HydrophobicContact CG1-CD1 4.46Å; V308-I565 HydrophobicContact CG1-CG1 4.22Å; V308-I565 HydrophobicContact CG2-CD1 3.81Å; V308-I565 HydrophobicContact CG2-CG1 4.13Å; V308-I565 HydrophobicContact CG2-CG2 4.32Å
309	K	50.7	Low	66.6	Low	168 Å²	168	87.2 Å²	87.2	73%	0.73	45%	0.448	S	S	*	.			trans	-75.9	74.3	163.5	-168.8	-166	178	-136.1	0	108.7	E311	K309-E311 IonicContact NZ-OE1 3.64Å; K309-E311 PolarHBondContact NZ-OE1 3.16Å; K309-E311 PolarHBondContact O-N 3.17Å; K309-E311 VanDerWaalsContact O-N 3.16Å
310	V	55.5	Low	67.6	Low	37 Å²	37	81.2 Å²	81.2	22%	0.224	42%	0.422	C	S	.	.			trans	-61.5	114.8	175.9	-177.3	0	0	0	0	108.9	V308 R314 L562	V308-V310 HydrophobicContact CB-CG2 4.13Å; V308-V310 HydrophobicContact CG1-CG2 3.49Å; V308-V310 VanDerWaalsContact CG1-CG2 3.49Å; V308-V310 PolarHBondContact O-N 3.43Å; V310-R314 HydrophobicContact CB-CG 4.26Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; V310-L562 HydrophobicContact CG2-CD1 4.46Å
311	E	48	Very low	68.7	Low	156 Å²	156	76.5 Å²	76.5	73%	0.729	40%	0.397	S	S	*	.			trans	-90.5	126.7	171.6	-62.1	-169	159.5	0	0	109.4	K309	K309-E311 IonicContact NZ-OE1 3.64Å; K309-E311 PolarHBondContact NZ-OE1 3.16Å; K309-E311 PolarHBondContact O-N 3.17Å; K309-E311 VanDerWaalsContact O-N 3.16Å
312	G	54.5	Low	69.9	Low	56 Å²	56	75.8 Å²	75.8	58%	0.577	39%	0.393	S	S	*	.	S	Bend	trans	108.6	176.4	-172.5	0	0	0	0	0	113.7	R314	G312-R314 PolarHBondContact O-N 2.93Å
313	P	61.9	Low	71.3	Confident	130 Å²	130	70.9 Å²	70.9	84%	0.844	37%	0.369	S	S	*	.			trans	-67.4	121	179.2	27.7	-33.6	0	0	0	110.7	L315	P313-L315 PolarHBondContact O-N 3.3Å; P313-L315 VanDerWaalsContact O-N 3.1Å
314	R	74.2	Confident	73.1	Confident	74 Å²	74	64.7 Å²	64.7	28%	0.279	34%	0.336	S	S	.	.			trans	-70	101.7	174.9	-68.5	-174.7	178.4	-156.7	-3.4	110.2	V310 G312 Y316 P358 D559 L562	V310-R314 HydrophobicContact CB-CG 4.26Å; V310-R314 HydrophobicContact CG1-CG 4.22Å; G312-R314 PolarHBondContact O-N 2.93Å; R314-Y316 HydrophobicContact CB-CD2 4.42Å; R314-Y316 HydrophobicContact CB-CE2 3.65Å; R314-Y316 WeakPolarHBondContact CD-OH 3.31Å; R314-Y316 WeakPolarHBondContact O-CD2 3.4Å; R314-P358 VanDerWaalsContact O-CB 3.26Å; R314-P358 WeakPolarHBondContact O-CB 3.46Å; R314-P358 WeakPolarHBondContact O-CG 3.35Å; R314-D559 IonicContact NH1-OD1 3.21Å; R314-L562 HydrophobicContact CB-CD2 3.93Å; R314-L562 HydrophobicContact CG-CD2 4.33Å
315	L	85.9	Confident	74.8	Confident	68 Å²	68	58.6 Å²	58.6	36%	0.356	31%	0.313	S	S	.	.			trans	-94.7	124.8	171.2	-172.7	67.9	0	0	0	109.6	P313 T317 E360	P313-L315 PolarHBondContact O-N 3.3Å; P313-L315 VanDerWaalsContact O-N 3.1Å; L315-T317 HydrophobicContact CD2-CG2 4.4Å; L315-T317 HydrophobicContact CG-CG2 4.34Å; L315-E360 HydrophobicContact CD1-CG 4.26Å; L315-E360 HydrophobicContact CD2-CG 4.45Å
316	Y	90.3	Very high	77	Confident	6 Å²	6	53.3 Å²	53.3	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.5	-179.4	-63.1	-104.8	0	0	0	108.5	R314 P358 V359 E360 L553 A558 L561 L562	R314-Y316 HydrophobicContact CB-CD2 4.42Å; R314-Y316 HydrophobicContact CB-CE2 3.65Å; R314-Y316 WeakPolarHBondContact CD-OH 3.31Å; R314-Y316 WeakPolarHBondContact O-CD2 3.4Å; Y316-P358 HydrophobicContact CD2-CG 4.18Å; Y316-P358 HydrophobicContact CE2-CG 4.4Å; Y316-P358 PolarHBondContact N-O 3.24Å; Y316-V359 WeakPolarHBondContact O-CA 3.5Å; Y316-E360 PolarHBondContact O-N 2.8Å; Y316-L553 HydrophobicContact CD1-CD2 3.84Å; Y316-L553 HydrophobicContact CD2-CB 4.39Å; Y316-L553 HydrophobicContact CD2-CD1 4.4Å; Y316-L553 HydrophobicContact CD2-CD2 4.2Å; Y316-L553 HydrophobicContact CE1-CB 4.19Å; Y316-L553 HydrophobicContact CE1-CD2 4.25Å; Y316-L553 WeakPolarHBondContact CE1-O 3.38Å; Y316-L553 HydrophobicContact CE2-CB 4Å; Y316-L553 HydrophobicContact CG-CD2 3.82Å; Y316-L553 VanDerWaalsContact CZ-O 3.32Å; Y316-L553 PolarHBondContact OH-O 2.99Å; Y316-A558 HydrophobicContact CD1-CB 3.86Å; Y316-A558 HydrophobicContact CE1-CB 3.84Å; Y316-L561 HydrophobicContact CD1-CB 4.17Å; Y316-L562 HydrophobicContact CD1-CD2 3.81Å; Y316-L562 HydrophobicContact CD1-CG 4.09Å; Y316-L562 HydrophobicContact CD2-CD2 4.09Å; Y316-L562 HydrophobicContact CE1-CD1 4.25Å; Y316-L562 HydrophobicContact CE1-CD2 3.67Å; Y316-L562 HydrophobicContact CE1-CG 3.89Å; Y316-L562 HydrophobicContact CE2-CD2 3.94Å; Y316-L562 HydrophobicContact CG-CD2 4.02Å
317	T	90.6	Very high	79	Confident	8 Å²	8	54.6 Å²	54.6	5%	0.049	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115	-175.3	60.5	0	0	0	0	110.9	L315 E360 Y362 L561 Q563	L315-T317 HydrophobicContact CD2-CG2 4.4Å; L315-T317 HydrophobicContact CG-CG2 4.34Å; T317-E360 HydrophobicContact CG2-CB 4.35Å; T317-Y362 HydrophobicContact CG2-CE2 3.98Å; T317-L561 PolarHBondContact N-O 3.47Å; T317-L561 PolarHBondContact OG1-O 2.85Å; T317-Q563 HydrophobicContact CG2-CB 4.33Å; T317-Q563 HydrophobicContact CG2-CG 4.47Å; T317-Q563 PolarHBondContact OG1-NE2 3.24Å
318	I	93.1	Very high	81.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119	-177.5	-55	175.2	0	0	0	109.9	L320 V359 E360 L361 Y362 D467 V468 I518 L522 L561	I318-L320 HydrophobicContact CG2-CD2 4.26Å; I318-L320 HydrophobicContact CG2-CG 4.19Å; I318-V359 HydrophobicContact CD1-CG1 3.58Å; I318-V359 HydrophobicContact CG1-CG1 4.11Å; I318-E360 PolarHBondContact N-O 2.99Å; I318-L361 HydrophobicContact CB-CD2 3.89Å; I318-L361 HydrophobicContact CD1-CD2 3.87Å; I318-L361 HydrophobicContact CG1-CD2 4.25Å; I318-Y362 PolarHBondContact O-N 3.17Å; I318-D467 HydrophobicContact CG2-CB 4.31Å; I318-V468 HydrophobicContact CG2-CB 4.25Å; I318-V468 HydrophobicContact CG2-CG2 3.87Å; I318-I518 HydrophobicContact CD1-CG2 4.02Å; I318-L522 HydrophobicContact CD1-CD1 3.88Å; I318-L522 HydrophobicContact CD1-CD2 3.93Å; I318-L522 HydrophobicContact CD1-CG 4.23Å; I318-L561 HydrophobicContact CD1-CD1 4.34Å; I318-L561 HydrophobicContact CG1-CD1 3.72Å; I318-L561 HydrophobicContact CG1-CD2 4.31Å
319	N	91.7	Very high	83.1	Confident	34 Å²	34	44.2 Å²	44.2	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113.4	173.5	-55.3	-72.5	0	0	0	109.1	Y362 I364 F466 D467 V468	N319-Y362 CarbonylContact C-O 3.28Å; N319-Y362 WeakPolarHBondContact CA-O 3.24Å; N319-I364 HydrophobicContact CB-CD1 3.77Å; N319-I364 HydrophobicContact CB-CG1 4.02Å; N319-I364 VanDerWaalsContact OD1-CD1 3.25Å; N319-I364 WeakPolarHBondContact OD1-CD1 3.44Å; N319-F466 CarbonylContact O-C 3.22Å; N319-F466 WeakPolarHBondContact O-CA 3.38Å; N319-F466 WeakPolarHBondContact O-CB 3.09Å; N319-D467 WeakPolarHBondContact CA-OD2 3.16Å; N319-D467 WeakPolarHBondContact CB-OD2 3Å; N319-D467 PolarHBondContact N-OD2 2.61Å; N319-D467 PolarHBondContact ND2-OD2 2.99Å; N319-D467 PolarHBondContact O-N 2.9Å; N319-V468 PolarHBondContact O-N 3.33Å
320	L	94.4	Very high	85.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.9	-175	-73.3	163.1	0	0	0	111.9	I318 L347 L361 Y362 L363 I364 Q365 V468 I518	I318-L320 HydrophobicContact CG2-CD2 4.26Å; I318-L320 HydrophobicContact CG2-CG 4.19Å; L320-L347 HydrophobicContact CD1-CD1 3.58Å; L320-L347 HydrophobicContact CD1-CD2 4.37Å; L320-L361 HydrophobicContact CD1-CB 3.99Å; L320-L361 HydrophobicContact CD1-CD1 4.36Å; L320-L361 HydrophobicContact CD1-CD2 4.28Å; L320-L361 HydrophobicContact CD1-CG 4.44Å; L320-Y362 PolarHBondContact N-O 3.37Å; L320-L363 HydrophobicContact CB-CD1 4.42Å; L320-I364 PolarHBondContact O-N 2.73Å; L320-Q365 PolarHBondContact O-N 3.48Å; L320-V468 HydrophobicContact CD2-CB 3.83Å; L320-V468 HydrophobicContact CD2-CG1 3.85Å; L320-I518 HydrophobicContact CD1-CD1 4.22Å; L320-I518 HydrophobicContact CD2-CD1 3.96Å; L320-I518 HydrophobicContact CD2-CG1 4.41Å
321	A	93.3	Very high	86.8	Confident	2 Å²	2	38 Å²	38	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.6	158.9	0	0	0	0	0	110	Q365 F466 V468 Q469 L470	A321-Q365 VanDerWaalsContact CA-O 3.31Å; A321-Q365 WeakPolarHBondContact CA-O 3.3Å; A321-Q365 HydrophobicContact CB-CB 4.36Å; A321-F466 HydrophobicContact CB-CB 4.05Å; A321-F466 HydrophobicContact CB-CD1 3.8Å; A321-F466 HydrophobicContact CB-CD2 3.95Å; A321-F466 HydrophobicContact CB-CE1 4.21Å; A321-F466 HydrophobicContact CB-CE2 4.36Å; A321-F466 HydrophobicContact CB-CG 3.66Å; A321-F466 HydrophobicContact CB-CZ 4.48Å; A321-V468 PolarHBondContact N-O 2.89Å; A321-Q469 HydrophobicContact CB-CB 4.09Å; A321-Q469 HydrophobicContact CB-CG 3.86Å; A321-Q469 WeakPolarHBondContact O-CA 3.43Å; A321-L470 PolarHBondContact O-N 3.41Å
322	L	96.1	Very high	88.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.8	176.3	-62.9	179.8	0	0	0	110	L343 L347 L363 Q365 S366 E367 L470 L472	L322-L343 HydrophobicContact CB-CD2 4.22Å; L322-L343 HydrophobicContact CD1-CD2 4.38Å; L322-L347 HydrophobicContact CD1-CB 4.4Å; L322-L363 HydrophobicContact CB-CD1 4.16Å; L322-L363 HydrophobicContact CD1-CD1 3.84Å; L322-L363 HydrophobicContact CG-CD1 3.72Å; L322-Q365 PolarHBondContact N-O 3.21Å; L322-S366 CarbonylContact O-C 3.57Å; L322-S366 VanDerWaalsContact O-CA 3.31Å; L322-S366 WeakPolarHBondContact O-CA 3.16Å; L322-E367 PolarHBondContact O-N 3.33Å; L322-L470 HydrophobicContact CD2-CB 4.05Å; L322-L470 HydrophobicContact CD2-CD1 4.28Å; L322-L470 HydrophobicContact CD2-CG 4.5Å; L322-L472 HydrophobicContact CD2-CD1 4.2Å
323	T	95.7	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.9	174.8	-53.9	0	0	0	0	109.8	E367 W369 F388 Q469 L470 L471 L472	T323-E367 CarbonylContact C-O 3.59Å; T323-E367 VanDerWaalsContact CA-O 3.27Å; T323-E367 WeakPolarHBondContact CA-O 3.39Å; T323-E367 HydrophobicContact CG2-CB 4.08Å; T323-E367 HydrophobicContact CG2-CG 3.96Å; T323-E367 VanDerWaalsContact CG2-OE2 3.31Å; T323-E367 WeakPolarHBondContact CG2-OE2 3.46Å; T323-E367 PolarHBondContact OG1-OE2 3.17Å; T323-W369 HydrophobicContact CG2-CD2 4.11Å; T323-W369 VanDerWaalsContact CG2-CE2 3.47Å; T323-W369 HydrophobicContact CG2-CH2 4.28Å; T323-W369 HydrophobicContact CG2-CZ2 3.59Å; T323-F388 HydrophobicContact CG2-CE2 4.28Å; T323-Q469 PolarHBondContact OG1-NE2 3.28Å; T323-L470 PolarHBondContact N-O 3.12Å; T323-L471 HydrophobicContact CG2-CD1 3.6Å; T323-L471 CarbonylContact O-C 3.6Å; T323-L471 WeakPolarHBondContact O-CA 3.05Å; T323-L472 PolarHBondContact O-N 3.07Å
324	L	96.2	Very high	92.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120	-177.6	-175.3	150.1	0	0	0	109	L328 F329 F332 Y342 L343 E367 I368 W369	L324-L328 HydrophobicContact CD1-CD2 4.22Å; L324-L328 HydrophobicContact CD1-CG 4.33Å; L324-L328 HydrophobicContact CD2-CB 4.24Å; L324-L328 HydrophobicContact CD2-CG 4.35Å; L324-L328 HydrophobicContact CG-CB 4.29Å; L324-L328 HydrophobicContact CG-CD2 3.98Å; L324-L328 HydrophobicContact CG-CG 4.08Å; L324-F329 HydrophobicContact CD2-CB 3.66Å; L324-F332 HydrophobicContact CD1-CE2 4.11Å; L324-Y342 HydrophobicContact CD1-CD1 4.46Å; L324-L343 HydrophobicContact CB-CD1 4.18Å; L324-L343 HydrophobicContact CB-CD2 4.45Å; L324-L343 HydrophobicContact CD1-CD1 3.98Å; L324-L343 HydrophobicContact CD1-CD2 3.84Å; L324-L343 HydrophobicContact CD1-CG 3.78Å; L324-E367 PolarHBondContact N-O 3.27Å; L324-I368 HydrophobicContact CB-CG1 4.34Å; L324-I368 HydrophobicContact CD2-CG2 4.14Å; L324-W369 PolarHBondContact O-N 2.03Å
325	D	95.3	Very high	93	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.011	17%	0.17	C	C	.	.			trans	-74.4	164.7	-171.8	93.2	-28.4	0	0	0	113.8	H327 L328 F329 W369 L471 L472 T473 R475	D325-H327 PolarHBondContact O-N 3.07Å; D325-H327 PolarHBondContact OD1-N 2.82Å; D325-L328 PolarHBondContact O-N 2.74Å; D325-L328 WeakPolarHBondContact OD1-CB 3.41Å; D325-L328 PolarHBondContact OD1-N 2.67Å; D325-F329 WeakPolarHBondContact O-CB 3.2Å; D325-F329 PolarHBondContact O-N 3.36Å; D325-W369 HydrophobicContact CB-CE3 3.89Å; D325-W369 HydrophobicContact CB-CZ3 4.16Å; D325-L471 HydrophobicContact CB-CD1 4.28Å; D325-L472 PolarHBondContact N-O 3.4Å; D325-L472 VanDerWaalsContact N-O 3.09Å; D325-T473 VanDerWaalsContact CG-OG1 3.22Å; D325-T473 WeakPolarHBondContact OD1-CA 3.46Å; D325-T473 VanDerWaalsContact OD2-CB 3.29Å; D325-T473 WeakPolarHBondContact OD2-CB 3.22Å; D325-T473 PolarHBondContact OD2-OG1 2.92Å; D325-R475 IonicContact OD2-NE 2.72Å
326	Y	95.2	Very high	93.3	Very high	83 Å²	83	32.2 Å²	32.2	33%	0.325	16%	0.164	S	C	.	.	H	α-helix	trans	-65.3	-30.7	-176.3	177.1	-109	0	0	0	111.9	F329 S330 W369 D373	Y326-F329 HydrophobicContact CD2-CD1 4.21Å; Y326-F329 HydrophobicContact CE2-CD1 4.41Å; Y326-S330 WeakPolarHBondContact O-CB 3.45Å; Y326-S330 PolarHBondContact O-N 2.89Å; Y326-S330 PolarHBondContact O-OG 3.04Å; Y326-W369 WeakPolarHBondContact CA-O 3.27Å; Y326-W369 VanDerWaalsContact CB-O 3.31Å; Y326-W369 WeakPolarHBondContact CB-O 3.35Å; Y326-W369 WeakPolarHBondContact CD2-O 3.42Å; Y326-D373 VanDerWaalsContact CB-OD1 3.31Å; Y326-D373 WeakPolarHBondContact CB-OD1 3.3Å; Y326-D373 PolarHBondContact N-OD1 3.1Å
327	H	93.3	Very high	93.2	Very high	94 Å²	94	37.5 Å²	37.5	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-68.3	-45.1	178.3	-169.9	67.8	0	0	0	111.7	D325 S330 S331 G474 R475	D325-H327 PolarHBondContact O-N 3.07Å; D325-H327 PolarHBondContact OD1-N 2.82Å; H327-S330 WeakPolarHBondContact O-CB 3.46Å; H327-S330 PolarHBondContact O-N 3.4Å; H327-S331 PolarHBondContact O-N 3.13Å; H327-G474 VanDerWaalsContact CD2-C 3.49Å; H327-R475 HydrophobicContact CB-CG 4.12Å
328	L	94.1	Very high	93.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-40.7	174.1	-172	52.3	0	0	0	111.3	L324 D325 S330 S331 F332 L472 V501	L324-L328 HydrophobicContact CD1-CD2 4.22Å; L324-L328 HydrophobicContact CD1-CG 4.33Å; L324-L328 HydrophobicContact CD2-CB 4.24Å; L324-L328 HydrophobicContact CD2-CG 4.35Å; L324-L328 HydrophobicContact CG-CB 4.29Å; L324-L328 HydrophobicContact CG-CD2 3.98Å; L324-L328 HydrophobicContact CG-CG 4.08Å; D325-L328 PolarHBondContact O-N 2.74Å; D325-L328 WeakPolarHBondContact OD1-CB 3.41Å; D325-L328 PolarHBondContact OD1-N 2.67Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.02Å; L328-S331 PolarHBondContact O-N 3.46Å; L328-S331 VanDerWaalsContact O-N 3.07Å; L328-S331 PolarHBondContact O-OG 2.97Å; L328-F332 HydrophobicContact CD1-CE2 3.94Å; L328-F332 HydrophobicContact CD1-CZ 4.26Å; L328-F332 HydrophobicContact CG-CE2 3.92Å; L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 PolarHBondContact O-N 3.34Å; L328-L472 HydrophobicContact CD2-CB 3.72Å; L328-V501 HydrophobicContact CD1-CB 4.07Å; L328-V501 HydrophobicContact CD1-CG1 3.8Å; L328-V501 HydrophobicContact CD2-CB 4.04Å; L328-V501 HydrophobicContact CD2-CG1 4.39Å; L328-V501 HydrophobicContact CD2-CG2 3.81Å
329	F	95.1	Very high	93.2	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-39.9	174	177	-112.3	0	0	0	112.5	L324 D325 Y326 S331 F332 H334 S339 I368 T370	L324-F329 HydrophobicContact CD2-CB 3.66Å; D325-F329 WeakPolarHBondContact O-CB 3.2Å; D325-F329 PolarHBondContact O-N 3.36Å; Y326-F329 HydrophobicContact CD2-CD1 4.21Å; Y326-F329 HydrophobicContact CE2-CD1 4.41Å; F329-S331 VanDerWaalsContact C-N 3.25Å; F329-S331 PolarHBondContact O-N 3.32Å; F329-F332 PolarHBondContact O-N 3.45Å; F329-F332 VanDerWaalsContact O-N 3.11Å; F329-H334 HydrophobicContact CD1-CB 4.45Å; F329-H334 AromaticContact CD1-ND1 3.68Å; F329-H334 HydrophobicContact CE1-CB 3.7Å; F329-H334 AromaticContact CE1-ND1 3.6Å; F329-H334 HydrophobicContact CZ-CB 3.88Å; F329-H334 WeakPolarHBondContact CZ-O 3.02Å; F329-H334 PolarHBondContact O-N 2.72Å; F329-S339 WeakPolarHBondContact CD2-OG 3.41Å; F329-I368 HydrophobicContact CB-CG2 4.47Å; F329-I368 HydrophobicContact CD2-CG2 3.54Å; F329-I368 HydrophobicContact CE2-CG2 3.99Å; F329-I368 HydrophobicContact CG-CG2 4.13Å; F329-T370 HydrophobicContact CD2-CG2 4.43Å; F329-T370 HydrophobicContact CE1-CG2 3.98Å; F329-T370 WeakPolarHBondContact CE1-O 3.42Å; F329-T370 HydrophobicContact CE2-CG2 3.88Å; F329-T370 HydrophobicContact CZ-CG2 3.62Å
330	S	93.8	Very high	93.1	Very high	37 Å²	37	41.6 Å²	41.6	26%	0.259	20%	0.202	S	C	.	.	H	α-helix	trans	-62.6	-32.4	176.3	-57.2	0	0	0	0	112.2	Y326 H327 L328 F332 D333 H334	Y326-S330 WeakPolarHBondContact O-CB 3.45Å; Y326-S330 PolarHBondContact O-N 2.89Å; Y326-S330 PolarHBondContact O-OG 3.04Å; H327-S330 WeakPolarHBondContact O-CB 3.46Å; H327-S330 PolarHBondContact O-N 3.4Å; L328-S330 VanDerWaalsContact C-N 3.29Å; L328-S330 PolarHBondContact O-N 3.02Å; S330-F332 VanDerWaalsContact C-N 3.25Å; S330-F332 PolarHBondContact O-N 2.64Å; S330-D333 PolarHBondContact O-N 2.94Å; S330-H334 PolarHBondContact OG-CE1 3.01Å; S330-H334 VanDerWaalsContact OG-CE1 3.24Å
331	S	91.2	Very high	93	Very high	37 Å²	37	43.6 Å²	43.6	26%	0.259	21%	0.211	S	C	.	.	H	α-helix	trans	-75.1	-9.4	176.1	76.5	0	0	0	0	115.2	H327 L328 F329 D333 N503	H327-S331 PolarHBondContact O-N 3.13Å; L328-S331 PolarHBondContact O-N 3.46Å; L328-S331 VanDerWaalsContact O-N 3.07Å; L328-S331 PolarHBondContact O-OG 2.97Å; F329-S331 VanDerWaalsContact C-N 3.25Å; F329-S331 PolarHBondContact O-N 3.32Å; S331-D333 VanDerWaalsContact C-N 3.31Å; S331-N503 WeakPolarHBondContact CB-ND2 3.32Å; S331-N503 PolarHBondContact OG-ND2 3.1Å
332	F	91	Very high	92.9	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.096	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	26.1	170	-64.3	-56.4	0	0	0	112.4	L324 L328 F329 S330 H334 N335 R338 Y342	L324-F332 HydrophobicContact CD1-CE2 4.11Å; L328-F332 HydrophobicContact CD1-CE2 3.94Å; L328-F332 HydrophobicContact CD1-CZ 4.26Å; L328-F332 HydrophobicContact CG-CE2 3.92Å; L328-F332 WeakPolarHBondContact O-CD2 3.3Å; L328-F332 PolarHBondContact O-N 3.34Å; F329-F332 PolarHBondContact O-N 3.45Å; F329-F332 VanDerWaalsContact O-N 3.11Å; S330-F332 VanDerWaalsContact C-N 3.25Å; S330-F332 PolarHBondContact O-N 2.64Å; F332-H334 PolarHBondContact O-N 2.91Å; F332-N335 WeakPolarHBondContact O-CB 3.02Å; F332-N335 PolarHBondContact O-N 2.87Å; F332-R338 HydrophobicContact CB-CG 4.33Å; F332-R338 HydrophobicContact CD1-CG 4.13Å; F332-R338 HydrophobicContact CG-CG 4.5Å; F332-Y342 HydrophobicContact CE1-CD1 4.45Å; F332-Y342 HydrophobicContact CE1-CD2 4.24Å; F332-Y342 HydrophobicContact CE1-CG 4.04Å; F332-Y342 AromaticContact CE2-CD1 3.72Å; F332-Y342 HydrophobicContact CE2-CD1 3.72Å; F332-Y342 HydrophobicContact CE2-CE1 4.22Å; F332-Y342 HydrophobicContact CE2-CG 4.08Å; F332-Y342 AromaticContact CZ-CD1 3.41Å; F332-Y342 HydrophobicContact CZ-CD1 3.41Å; F332-Y342 VanDerWaalsContact CZ-CD1 3.41Å; F332-Y342 AromaticContact CZ-CD2 3.85Å; F332-Y342 HydrophobicContact CZ-CD2 3.85Å; F332-Y342 AromaticContact CZ-CE1 3.83Å; F332-Y342 HydrophobicContact CZ-CE1 3.83Å; F332-Y342 HydrophobicContact CZ-CE2 4.23Å; F332-Y342 AromaticContact CZ-CG 3.41Å; F332-Y342 HydrophobicContact CZ-CG 3.41Å; F332-Y342 VanDerWaalsContact CZ-CG 3.41Å
333	D	92.4	Very high	92.8	Very high	120 Å²	120	44.7 Å²	44.7	64%	0.642	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	33.8	-177.8	-52.7	-53.7	0	0	0	112.6	S330 S331 N335 R338	S330-D333 PolarHBondContact O-N 2.94Å; S331-D333 VanDerWaalsContact C-N 3.31Å; D333-N335 PolarHBondContact O-N 2.9Å; D333-N335 VanDerWaalsContact O-N 3.12Å; D333-R338 IonicContact OD2-CZ 3.7Å; D333-R338 IonicContact OD2-NH1 3.77Å; D333-R338 PolarHBondContact OD2-NH1 2.92Å
334	H	92.1	Very high	92.7	Very high	101 Å²	101	44.7 Å²	44.7	47%	0.468	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	23.8	-170.9	-54	-71	0	0	0	114.5	F329 S330 F332 L336	F329-H334 HydrophobicContact CD1-CB 4.45Å; F329-H334 AromaticContact CD1-ND1 3.68Å; F329-H334 HydrophobicContact CE1-CB 3.7Å; F329-H334 AromaticContact CE1-ND1 3.6Å; F329-H334 HydrophobicContact CZ-CB 3.88Å; F329-H334 WeakPolarHBondContact CZ-O 3.02Å; F329-H334 PolarHBondContact O-N 2.72Å; S330-H334 PolarHBondContact OG-CE1 3.01Å; S330-H334 VanDerWaalsContact OG-CE1 3.24Å; F332-H334 PolarHBondContact O-N 2.91Å; H334-L336 PolarHBondContact O-N 2.03Å
335	N	92.6	Very high	92.5	Very high	74 Å²	74	44.9 Å²	44.9	40%	0.396	22%	0.216	S	C	.	.			trans	-87.3	112.5	-179	-173.6	-39.3	0	0	0	111.2	F332 D333 E337 R338 S339	F332-N335 WeakPolarHBondContact O-CB 3.02Å; F332-N335 PolarHBondContact O-N 2.87Å; D333-N335 PolarHBondContact O-N 2.9Å; D333-N335 VanDerWaalsContact O-N 3.12Å; N335-E337 PolarHBondContact OD1-N 3.22Å; N335-R338 HydrophobicContact CB-CB 3.86Å; N335-R338 PolarHBondContact OD1-N 2.83Å; N335-S339 WeakPolarHBondContact O-CB 3.34Å; N335-S339 PolarHBondContact O-N 3.27Å; N335-S339 PolarHBondContact O-OG 2.77Å
336	L	91.5	Very high	92.5	Very high	46 Å²	46	44.8 Å²	44.8	24%	0.241	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-44.1	179.7	-174.4	67.5	0	0	0	112.4	Y192 H334 S339 I340 I368 T370	Y192-L336 HydrophobicContact CD1-CD2 4.25Å; Y192-L336 HydrophobicContact CD2-CD2 4.07Å; Y192-L336 HydrophobicContact CE2-CD2 4.44Å; Y192-L336 HydrophobicContact CG-CD1 4.41Å; Y192-L336 HydrophobicContact CG-CD2 3.96Å; H334-L336 PolarHBondContact O-N 2.03Å; L336-S339 PolarHBondContact O-N 3.33Å; L336-I340 HydrophobicContact CG-CD1 4.26Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 2.87Å; L336-I368 HydrophobicContact CD1-CB 4.1Å; L336-I368 HydrophobicContact CD1-CD1 3.65Å; L336-I368 HydrophobicContact CD1-CG1 4.45Å; L336-I368 HydrophobicContact CD1-CG2 4.03Å; L336-T370 HydrophobicContact CD1-CG2 4.02Å
337	E	89.4	Confident	92.5	Very high	116 Å²	116	40.9 Å²	40.9	54%	0.542	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-45.9	179.8	-179.7	165.5	-146.1	0	0	110.8	N335 S339 I340 H341	N335-E337 PolarHBondContact OD1-N 3.22Å; E337-S339 VanDerWaalsContact C-N 3.31Å; E337-S339 PolarHBondContact O-N 3.06Å; E337-I340 PolarHBondContact O-N 3.45Å; E337-H341 WeakPolarHBondContact O-CB 3.48Å; E337-H341 PolarHBondContact O-CD2 2.72Å; E337-H341 PolarHBondContact O-N 2.74Å
338	R	89.6	Confident	92.6	Very high	117 Å²	117	36.4 Å²	36.4	44%	0.442	18%	0.18	S	C	.	.	H	α-helix	trans	-59.2	-40.4	174.2	-174.5	175.5	176.7	-175.3	-6.5	112.4	F332 D333 N335 H341 Y342	F332-R338 HydrophobicContact CB-CG 4.33Å; F332-R338 HydrophobicContact CD1-CG 4.13Å; F332-R338 HydrophobicContact CG-CG 4.5Å; D333-R338 IonicContact OD2-CZ 3.7Å; D333-R338 IonicContact OD2-NH1 3.77Å; D333-R338 PolarHBondContact OD2-NH1 2.92Å; N335-R338 HydrophobicContact CB-CB 3.86Å; N335-R338 PolarHBondContact OD1-N 2.83Å; R338-H341 PolarHBondContact O-N 3.08Å; R338-Y342 WeakPolarHBondContact O-CB 3.45Å; R338-Y342 PolarHBondContact O-N 3.44Å
339	S	92.2	Very high	92.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.1	-43.4	178.2	-58.9	0	0	0	0	112	F329 N335 L336 E337 Y342 L343	F329-S339 WeakPolarHBondContact CD2-OG 3.41Å; N335-S339 WeakPolarHBondContact O-CB 3.34Å; N335-S339 PolarHBondContact O-N 3.27Å; N335-S339 PolarHBondContact O-OG 2.77Å; L336-S339 PolarHBondContact O-N 3.33Å; E337-S339 VanDerWaalsContact C-N 3.31Å; E337-S339 PolarHBondContact O-N 3.06Å; S339-Y342 PolarHBondContact O-N 2.78Å; S339-L343 WeakPolarHBondContact O-CG 3.26Å; S339-L343 PolarHBondContact O-N 3.46Å; S339-L343 VanDerWaalsContact O-N 3.1Å
340	I	91.5	Very high	92.6	Very high	12 Å²	12	36.1 Å²	36.1	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-62.4	-44.8	173	-62.4	163.1	0	0	0	110.5	T190 L209 L336 E337 Y342 L343 S344 I368	T190-I340 HydrophobicContact CG2-CD1 3.81Å; T190-I340 HydrophobicContact CG2-CG1 3.8Å; L209-I340 HydrophobicContact CD1-CG2 3.71Å; L209-I340 HydrophobicContact CD2-CG2 3.78Å; L209-I340 HydrophobicContact CG-CG2 4.3Å; L336-I340 HydrophobicContact CG-CD1 4.26Å; L336-I340 VanDerWaalsContact O-CG1 3.3Å; L336-I340 WeakPolarHBondContact O-CG1 3.36Å; L336-I340 PolarHBondContact O-N 2.87Å; E337-I340 PolarHBondContact O-N 3.45Å; I340-Y342 VanDerWaalsContact C-N 3.34Å; I340-Y342 PolarHBondContact O-N 2.85Å; I340-L343 PolarHBondContact O-N 2.91Å; I340-S344 VanDerWaalsContact O-CB 3.27Å; I340-S344 WeakPolarHBondContact O-CB 3.32Å; I340-S344 PolarHBondContact O-N 2.88Å; I340-S344 PolarHBondContact O-OG 2.79Å; I340-I368 HydrophobicContact CG1-CD1 3.77Å
341	H	90.6	Very high	92.6	Very high	42 Å²	42	35.6 Å²	35.6	19%	0.194	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-40.3	178.4	-85	-68.6	0	0	0	112.4	Y213 C242 E337 R338 N345	Y213-H341 AromaticContact CZ-ND1 3.88Å; Y213-H341 WeakPolarHBondContact OH-CA 3.46Å; Y213-H341 PolarHBondContact OH-ND1 3.05Å; C242-H341 VanDerWaalsContact SG-CE1 3.6Å; E337-H341 WeakPolarHBondContact O-CB 3.48Å; E337-H341 PolarHBondContact O-CD2 2.72Å; E337-H341 PolarHBondContact O-N 2.74Å; R338-H341 PolarHBondContact O-N 3.08Å; H341-N345 VanDerWaalsContact O-CB 3.23Å; H341-N345 WeakPolarHBondContact O-CB 3.35Å; H341-N345 PolarHBondContact O-N 3.38Å
342	Y	92.6	Very high	92.7	Very high	24 Å²	24	34.7 Å²	34.7	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-54.8	174.5	172.9	-104.4	0	0	0	112.1	L324 F332 R338 S339 I340 S344 N345 V346 L472 V501	L324-Y342 HydrophobicContact CD1-CD1 4.46Å; F332-Y342 HydrophobicContact CE1-CD1 4.45Å; F332-Y342 HydrophobicContact CE1-CD2 4.24Å; F332-Y342 HydrophobicContact CE1-CG 4.04Å; F332-Y342 AromaticContact CE2-CD1 3.72Å; F332-Y342 HydrophobicContact CE2-CD1 3.72Å; F332-Y342 HydrophobicContact CE2-CE1 4.22Å; F332-Y342 HydrophobicContact CE2-CG 4.08Å; F332-Y342 AromaticContact CZ-CD1 3.41Å; F332-Y342 HydrophobicContact CZ-CD1 3.41Å; F332-Y342 VanDerWaalsContact CZ-CD1 3.41Å; F332-Y342 AromaticContact CZ-CD2 3.85Å; F332-Y342 HydrophobicContact CZ-CD2 3.85Å; F332-Y342 AromaticContact CZ-CE1 3.83Å; F332-Y342 HydrophobicContact CZ-CE1 3.83Å; F332-Y342 HydrophobicContact CZ-CE2 4.23Å; F332-Y342 AromaticContact CZ-CG 3.41Å; F332-Y342 HydrophobicContact CZ-CG 3.41Å; F332-Y342 VanDerWaalsContact CZ-CG 3.41Å; R338-Y342 WeakPolarHBondContact O-CB 3.45Å; R338-Y342 PolarHBondContact O-N 3.44Å; S339-Y342 PolarHBondContact O-N 2.78Å; I340-Y342 VanDerWaalsContact C-N 3.34Å; I340-Y342 PolarHBondContact O-N 2.85Å; Y342-S344 VanDerWaalsContact C-N 3.25Å; Y342-S344 PolarHBondContact O-N 3.34Å; Y342-N345 PolarHBondContact O-N 3.29Å; Y342-N345 VanDerWaalsContact O-N 3.11Å; Y342-V346 HydrophobicContact CD2-CG2 3.97Å; Y342-V346 HydrophobicContact CE1-CG2 4.23Å; Y342-V346 HydrophobicContact CE2-CG2 3.57Å; Y342-V346 HydrophobicContact CG-CG2 4.46Å; Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.31Å; Y342-L472 HydrophobicContact CE1-CD2 4.19Å; Y342-V501 WeakPolarHBondContact OH-CG1 3.31Å
343	L	93.8	Very high	92.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-54.2	-44.1	178	-71.8	176.8	0	0	0	111.9	L322 L324 S339 I340 L347 I368 L472	L322-L343 HydrophobicContact CB-CD2 4.22Å; L322-L343 HydrophobicContact CD1-CD2 4.38Å; L324-L343 HydrophobicContact CB-CD1 4.18Å; L324-L343 HydrophobicContact CB-CD2 4.45Å; L324-L343 HydrophobicContact CD1-CD1 3.98Å; L324-L343 HydrophobicContact CD1-CD2 3.84Å; L324-L343 HydrophobicContact CD1-CG 3.78Å; S339-L343 WeakPolarHBondContact O-CG 3.26Å; S339-L343 PolarHBondContact O-N 3.46Å; S339-L343 VanDerWaalsContact O-N 3.1Å; I340-L343 PolarHBondContact O-N 2.91Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 PolarHBondContact O-N 2.98Å; L343-I368 HydrophobicContact CD1-CG1 4.4Å; L343-L472 HydrophobicContact CD2-CD1 4.42Å; L343-L472 HydrophobicContact CD2-CD2 3.82Å
344	S	92.7	Very high	92.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-40.4	179	-55.4	0	0	0	0	112.6	I181 Y213 I340 Y342 N348	I181-S344 WeakPolarHBondContact CD1-O 3.1Å; Y213-S344 VanDerWaalsContact CE1-CB 3.46Å; Y213-S344 WeakPolarHBondContact OH-CB 3.49Å; I340-S344 VanDerWaalsContact O-CB 3.27Å; I340-S344 WeakPolarHBondContact O-CB 3.32Å; I340-S344 PolarHBondContact O-N 2.88Å; I340-S344 PolarHBondContact O-OG 2.79Å; Y342-S344 VanDerWaalsContact C-N 3.25Å; Y342-S344 PolarHBondContact O-N 3.34Å; S344-N348 VanDerWaalsContact O-CB 3.31Å; S344-N348 WeakPolarHBondContact O-CB 3.36Å; S344-N348 PolarHBondContact O-N 2.94Å
345	N	93.3	Very high	92.5	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-69.1	-43	179.1	-169.5	45.9	0	0	0	111.9	Y213 N240 H341 Y342 N348 Q349 D507	Y213-N345 HydrophobicContact CE1-CB 4.43Å; N240-N345 VanDerWaalsContact ND2-CG 3.27Å; N240-N345 PolarHBondContact ND2-OD1 3.44Å; H341-N345 VanDerWaalsContact O-CB 3.23Å; H341-N345 WeakPolarHBondContact O-CB 3.35Å; H341-N345 PolarHBondContact O-N 3.38Å; Y342-N345 PolarHBondContact O-N 3.29Å; Y342-N345 VanDerWaalsContact O-N 3.11Å; N345-N348 PolarHBondContact O-N 3.33Å; N345-Q349 PolarHBondContact ND2-NE2 3.31Å; N345-Q349 WeakPolarHBondContact O-CG 3.33Å; N345-Q349 PolarHBondContact O-N 3Å; N345-Q349 VanDerWaalsContact O-N 3.15Å; N345-Q349 PolarHBondContact O-NE2 2.72Å; N345-D507 PolarHBondContact ND2-OD2 3.35Å
346	V	94.6	Very high	92.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-48.5	175.9	173.8	0	0	0	0	109.8	Y342 N348 Q349 V350 D507 V510 S511 I514	Y342-V346 HydrophobicContact CD2-CG2 3.97Å; Y342-V346 HydrophobicContact CE1-CG2 4.23Å; Y342-V346 HydrophobicContact CE2-CG2 3.57Å; Y342-V346 HydrophobicContact CG-CG2 4.46Å; Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.31Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 2.95Å; V346-Q349 WeakPolarHBondContact O-CA 3.14Å; V346-Q349 WeakPolarHBondContact O-CB 3.27Å; V346-Q349 PolarHBondContact O-N 2.9Å; V346-V350 WeakPolarHBondContact O-CG2 3.34Å; V346-V350 PolarHBondContact O-N 3.21Å; V346-V350 VanDerWaalsContact O-N 3.08Å; V346-D507 HydrophobicContact CG2-CB 4.05Å; V346-V510 HydrophobicContact CG1-CB 4.22Å; V346-V510 HydrophobicContact CG1-CG1 4.04Å; V346-S511 WeakPolarHBondContact O-CB 3.26Å; V346-I514 HydrophobicContact CG1-CD1 3.68Å
347	L	95.1	Very high	92.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-37.7	177.1	-176.4	65.8	0	0	0	112.6	I181 L320 L322 L343 Q349 V350 L361 L363	I181-L347 HydrophobicContact CB-CD2 4.17Å; I181-L347 HydrophobicContact CB-CG 4.45Å; I181-L347 HydrophobicContact CG2-CD2 4.41Å; I181-L347 HydrophobicContact CG2-CG 4.19Å; L320-L347 HydrophobicContact CD1-CD1 3.58Å; L320-L347 HydrophobicContact CD1-CD2 4.37Å; L322-L347 HydrophobicContact CD1-CB 4.4Å; L343-L347 WeakPolarHBondContact O-CB 3.22Å; L343-L347 PolarHBondContact O-N 2.98Å; L347-Q349 PolarHBondContact O-N 3.44Å; L347-V350 HydrophobicContact CD1-CB 4.18Å; L347-V350 HydrophobicContact CD1-CG2 4.26Å; L347-V350 WeakPolarHBondContact O-CB 3.34Å; L347-V350 PolarHBondContact O-N 3.09Å; L347-V350 VanDerWaalsContact O-N 3.07Å; L347-L361 HydrophobicContact CD1-CD1 4.27Å; L347-L363 HydrophobicContact CD2-CB 3.59Å; L347-L363 HydrophobicContact CD2-CD1 4.22Å; L347-L363 HydrophobicContact CD2-CD2 4.17Å; L347-L363 HydrophobicContact CD2-CG 4.2Å
348	N	94.9	Very high	92.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-28.8	173.6	-164.6	64.6	0	0	0	112.1	S179 I181 Y213 Y214 A238 V239 S344 N345 V346 T351	S179-N348 WeakPolarHBondContact CB-OD1 3.31Å; S179-N348 PolarHBondContact OG-OD1 3.42Å; I181-N348 HydrophobicContact CD1-CB 3.87Å; Y213-N348 HydrophobicContact CD1-CB 4.27Å; Y214-N348 PolarHBondContact O-ND2 3.33Å; A238-N348 WeakPolarHBondContact CB-O 3.34Å; V239-N348 PolarHBondContact N-ND2 3.25Å; V239-N348 PolarHBondContact O-ND2 3.33Å; S344-N348 VanDerWaalsContact O-CB 3.31Å; S344-N348 WeakPolarHBondContact O-CB 3.36Å; S344-N348 PolarHBondContact O-N 2.94Å; N345-N348 PolarHBondContact O-N 3.33Å; V346-N348 VanDerWaalsContact C-N 3.33Å; V346-N348 PolarHBondContact O-N 2.95Å; N348-T351 PolarHBondContact O-OG1 3.42Å
349	Q	94.7	Very high	92.3	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-83.3	-25.4	175.4	-66.8	169.5	54.6	0	0	113.3	I248 N345 V346 L347 T351 K352 Y508	I248-Q349 HydrophobicContact CD1-CB 4Å; I248-Q349 HydrophobicContact CD1-CG 4.1Å; I248-Q349 HydrophobicContact CG1-CG 4.13Å; I248-Q349 HydrophobicContact CG2-CG 4.29Å; N345-Q349 PolarHBondContact ND2-NE2 3.31Å; N345-Q349 WeakPolarHBondContact O-CG 3.33Å; N345-Q349 PolarHBondContact O-N 3Å; N345-Q349 VanDerWaalsContact O-N 3.15Å; N345-Q349 PolarHBondContact O-NE2 2.72Å; V346-Q349 WeakPolarHBondContact O-CA 3.14Å; V346-Q349 WeakPolarHBondContact O-CB 3.27Å; V346-Q349 PolarHBondContact O-N 2.9Å; L347-Q349 PolarHBondContact O-N 3.44Å; Q349-T351 PolarHBondContact O-N 2.95Å; Q349-K352 PolarHBondContact O-N 2.74Å; Q349-Y508 HydrophobicContact CB-CD2 4.31Å; Q349-Y508 VanDerWaalsContact OE1-CA 3.27Å
350	V	95.6	Very high	92.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-31.9	173.2	177.9	0	0	0	0	111.2	V346 L347 K352 S353 F354 L361 I514 I518	V346-V350 WeakPolarHBondContact O-CG2 3.34Å; V346-V350 PolarHBondContact O-N 3.21Å; V346-V350 VanDerWaalsContact O-N 3.08Å; L347-V350 HydrophobicContact CD1-CB 4.18Å; L347-V350 HydrophobicContact CD1-CG2 4.26Å; L347-V350 WeakPolarHBondContact O-CB 3.34Å; L347-V350 PolarHBondContact O-N 3.09Å; L347-V350 VanDerWaalsContact O-N 3.07Å; V350-K352 PolarHBondContact O-N 3.47Å; V350-K352 VanDerWaalsContact O-N 3.14Å; V350-S353 VanDerWaalsContact O-CB 3.31Å; V350-S353 WeakPolarHBondContact O-CB 3.39Å; V350-S353 PolarHBondContact O-N 2.83Å; V350-S353 PolarHBondContact O-OG 2.91Å; V350-F354 HydrophobicContact CG1-CD2 3.99Å; V350-F354 HydrophobicContact CG1-CE2 3.71Å; V350-L361 HydrophobicContact CB-CD1 4.29Å; V350-L361 HydrophobicContact CG1-CD1 3.46Å; V350-L361 VanDerWaalsContact CG1-CD1 3.46Å; V350-I514 HydrophobicContact CG1-CG2 4.3Å; V350-I514 HydrophobicContact CG2-CB 4.03Å; V350-I514 HydrophobicContact CG2-CG2 3.69Å; V350-I518 HydrophobicContact CG1-CD1 4.49Å
351	T	93.7	Very high	92.3	Very high	26 Å²	26	19.7 Å²	19.7	16%	0.16	10%	0.1	C	C	.	.	H	α-helix	trans	-60.1	-26.7	-178.3	65.2	0	0	0	0	113.5	I181 Y236 N348 Q349 S353 F354	I181-T351 HydrophobicContact CG2-CG2 3.63Å; Y236-T351 WeakPolarHBondContact OH-CB 3.35Å; Y236-T351 PolarHBondContact OH-OG1 3.49Å; N348-T351 PolarHBondContact O-OG1 3.42Å; Q349-T351 PolarHBondContact O-N 2.95Å; T351-S353 VanDerWaalsContact C-N 3.3Å; T351-S353 PolarHBondContact O-N 2.81Å; T351-F354 PolarHBondContact O-N 3.46Å
352	K	91.9	Very high	92.4	Very high	19 Å²	19	18.8 Å²	18.8	8%	0.083	10%	0.096	C	C	.	.	H	α-helix	trans	-57.6	-44.6	171.9	-177.9	-168.8	166.6	-166.3	0	111	Y236 I248 H250 T255 Q349 V350 F354 Q355 Y508	Y236-K352 HydrophobicContact CD1-CB 3.68Å; Y236-K352 HydrophobicContact CD1-CG 3.73Å; Y236-K352 HydrophobicContact CE1-CB 3.66Å; Y236-K352 HydrophobicContact CE1-CG 4.24Å; Y236-K352 HydrophobicContact CG-CG 4.24Å; I248-K352 HydrophobicContact CD1-CB 4.14Å; I248-K352 HydrophobicContact CD1-CD 3.85Å; H250-K352 HydrophobicContact CB-CD 4.29Å; H250-K352 WeakPolarHBondContact CD2-CE 3.43Å; H250-K352 VanDerWaalsContact CG-CE 3.5Å; T255-K352 PolarHBondContact OG1-NZ 2.78Å; Q349-K352 PolarHBondContact O-N 2.74Å; V350-K352 PolarHBondContact O-N 3.47Å; V350-K352 VanDerWaalsContact O-N 3.14Å; K352-F354 VanDerWaalsContact C-N 3.27Å; K352-F354 PolarHBondContact O-N 2.86Å; K352-Q355 WeakPolarHBondContact O-CB 3.45Å; K352-Q355 WeakPolarHBondContact O-CG 3.49Å; K352-Q355 PolarHBondContact O-N 3.27Å; K352-Y508 HydrophobicContact CD-CE2 4.3Å; K352-Y508 PolarHBondContact NZ-OH 3.45Å; K352-Y508 VanDerWaalsContact NZ-OH 3.14Å
353	S	91.5	Very high	92.4	Very high	13 Å²	13	17.6 Å²	17.6	9%	0.091	9%	0.091	C	C	.	.	H	α-helix	trans	-61.7	-35.7	-173.2	-51	0	0	0	0	112.5	V350 T351 S515 L540 F541	V350-S353 VanDerWaalsContact O-CB 3.31Å; V350-S353 WeakPolarHBondContact O-CB 3.39Å; V350-S353 PolarHBondContact O-N 2.83Å; V350-S353 PolarHBondContact O-OG 2.91Å; T351-S353 VanDerWaalsContact C-N 3.3Å; T351-S353 PolarHBondContact O-N 2.81Å; S353-S515 VanDerWaalsContact CB-OG 3.27Å; S353-S515 WeakPolarHBondContact CB-OG 3.28Å; S353-S515 PolarHBondContact OG-OG 2.74Å; S353-L540 WeakPolarHBondContact OG-CD2 3.41Å; S353-F541 WeakPolarHBondContact O-CD2 3.32Å
354	F	92	Very high	92.2	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.026	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.6	-176.1	-66.5	-85.9	0	0	0	113.8	V350 T351 K352 H356 V357 V359 L361 I518 L522 F541 L549	V350-F354 HydrophobicContact CG1-CD2 3.99Å; V350-F354 HydrophobicContact CG1-CE2 3.71Å; T351-F354 PolarHBondContact O-N 3.46Å; K352-F354 VanDerWaalsContact C-N 3.27Å; K352-F354 PolarHBondContact O-N 2.86Å; F354-H356 PolarHBondContact O-N 2.99Å; F354-V357 HydrophobicContact CB-CG2 4.07Å; F354-V357 HydrophobicContact CD1-CG2 3.77Å; F354-V357 HydrophobicContact CG-CG2 4.42Å; F354-V357 WeakPolarHBondContact O-CG2 3.19Å; F354-V357 PolarHBondContact O-N 3.25Å; F354-V359 HydrophobicContact CB-CB 4.38Å; F354-V359 HydrophobicContact CD1-CB 4.14Å; F354-V359 HydrophobicContact CD1-CG1 4.16Å; F354-V359 HydrophobicContact CD1-CG2 4.45Å; F354-V359 HydrophobicContact CG-CG1 4.5Å; F354-L361 HydrophobicContact CD2-CD1 3.94Å; F354-L361 HydrophobicContact CE2-CD1 4.17Å; F354-I518 HydrophobicContact CE1-CG2 4.09Å; F354-I518 HydrophobicContact CE2-CG2 4.38Å; F354-I518 HydrophobicContact CZ-CB 3.92Å; F354-I518 HydrophobicContact CZ-CG2 3.61Å; F354-L522 HydrophobicContact CE1-CD1 4.2Å; F354-F541 HydrophobicContact CE1-CE2 4.25Å; F354-F541 HydrophobicContact CZ-CE2 4.22Å; F354-F541 HydrophobicContact CZ-CZ 4.3Å; F354-L549 HydrophobicContact CD1-CD2 4.26Å; F354-L549 HydrophobicContact CE1-CD2 4.04Å
355	Q	88.1	Confident	92	Very high	64 Å²	64	18.7 Å²	18.7	30%	0.299	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	-174	74.9	-176.6	-4	0	0	115.6	T234 K352	T234-Q355 PolarHBondContact OG1-NE2 3.31Å; K352-Q355 WeakPolarHBondContact O-CB 3.45Å; K352-Q355 WeakPolarHBondContact O-CG 3.49Å; K352-Q355 PolarHBondContact O-N 3.27Å
356	H	86.3	Confident	92	Very high	78 Å²	78	18.5 Å²	18.5	36%	0.361	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	1.8	-179.4	-59.9	-55.8	0	0	0	114.5	F354 R550	F354-H356 PolarHBondContact O-N 2.99Å; H356-R550 PolarHBondContact O-NE 3.34Å; H356-R550 PolarHBondContact O-NH2 3.29Å
357	V	89.6	Confident	91.9	Very high	13 Å²	13	18.5 Å²	18.5	8%	0.079	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	152.6	176.9	-63.3	0	0	0	0	109.7	F354 V359 L549 R550 L553	F354-V357 HydrophobicContact CB-CG2 4.07Å; F354-V357 HydrophobicContact CD1-CG2 3.77Å; F354-V357 HydrophobicContact CG-CG2 4.42Å; F354-V357 WeakPolarHBondContact O-CG2 3.19Å; F354-V357 PolarHBondContact O-N 3.25Å; V357-V359 HydrophobicContact CB-CG2 4.43Å; V357-V359 HydrophobicContact CG2-CB 4.18Å; V357-V359 HydrophobicContact CG2-CG2 3.85Å; V357-V359 PolarHBondContact O-N 2.8Å; V357-L549 HydrophobicContact CB-CD2 4.48Å; V357-L549 HydrophobicContact CG1-CB 4.44Å; V357-L549 HydrophobicContact CG1-CD2 4.08Å; V357-L549 HydrophobicContact CG1-CG 4.29Å; V357-L549 HydrophobicContact CG2-CD2 3.92Å; V357-R550 HydrophobicContact CG1-CG 4.01Å; V357-L553 HydrophobicContact CB-CD1 4.49Å
358	P	91	Very high	91.9	Very high	53 Å²	53	18.5 Å²	18.5	34%	0.344	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	60.6	-173.8	35.4	-37.3	0	0	0	111.5	R314 Y316 L553	R314-P358 VanDerWaalsContact O-CB 3.26Å; R314-P358 WeakPolarHBondContact O-CB 3.46Å; R314-P358 WeakPolarHBondContact O-CG 3.35Å; Y316-P358 HydrophobicContact CD2-CG 4.18Å; Y316-P358 HydrophobicContact CE2-CG 4.4Å; Y316-P358 PolarHBondContact N-O 3.24Å; P358-L553 HydrophobicContact CG-CD1 4.41Å
359	V	92.1	Very high	91.9	Very high	13 Å²	13	18.6 Å²	18.6	8%	0.079	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.7	-177.4	179.2	0	0	0	0	109.9	Y316 I318 F354 V357 L361 L553	Y316-V359 WeakPolarHBondContact O-CA 3.5Å; I318-V359 HydrophobicContact CD1-CG1 3.58Å; I318-V359 HydrophobicContact CG1-CG1 4.11Å; F354-V359 HydrophobicContact CB-CB 4.38Å; F354-V359 HydrophobicContact CD1-CB 4.14Å; F354-V359 HydrophobicContact CD1-CG1 4.16Å; F354-V359 HydrophobicContact CD1-CG2 4.45Å; F354-V359 HydrophobicContact CG-CG1 4.5Å; V357-V359 HydrophobicContact CB-CG2 4.43Å; V357-V359 HydrophobicContact CG2-CB 4.18Å; V357-V359 HydrophobicContact CG2-CG2 3.85Å; V357-V359 PolarHBondContact O-N 2.8Å; V359-L361 HydrophobicContact CG1-CD2 3.77Å; V359-L553 HydrophobicContact CG2-CD1 3.68Å; V359-L553 HydrophobicContact CG2-CD2 4.21Å
360	E	91.3	Very high	91.9	Very high	41 Å²	41	19.4 Å²	19.4	19%	0.192	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.9	166.4	-86.1	-171.3	158	0	0	110.3	R180 L315 Y316 T317 I318 Y362	R180-E360 WeakPolarHBondContact CD-OE1 3.49Å; R180-E360 IonicContact CZ-OE1 3.72Å; R180-E360 IonicContact NE-OE1 3.61Å; R180-E360 IonicContact NH1-OE1 3.73Å; R180-E360 PolarHBondContact NH1-OE1 3.38Å; L315-E360 HydrophobicContact CD1-CG 4.26Å; L315-E360 HydrophobicContact CD2-CG 4.45Å; Y316-E360 PolarHBondContact O-N 2.8Å; T317-E360 HydrophobicContact CG2-CB 4.35Å; I318-E360 PolarHBondContact N-O 2.99Å; E360-Y362 HydrophobicContact CB-CE2 3.91Å; E360-Y362 PolarHBondContact OE2-OH 2.95Å
361	L	93.5	Very high	91.7	Very high	11 Å²	11	21.9 Å²	21.9	6%	0.058	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.9	-177.2	-57.4	-176.9	0	0	0	110.5	I318 L320 L347 V350 F354 V359 I518	I318-L361 HydrophobicContact CB-CD2 3.89Å; I318-L361 HydrophobicContact CD1-CD2 3.87Å; I318-L361 HydrophobicContact CG1-CD2 4.25Å; L320-L361 HydrophobicContact CD1-CB 3.99Å; L320-L361 HydrophobicContact CD1-CD1 4.36Å; L320-L361 HydrophobicContact CD1-CD2 4.28Å; L320-L361 HydrophobicContact CD1-CG 4.44Å; L347-L361 HydrophobicContact CD1-CD1 4.27Å; V350-L361 HydrophobicContact CB-CD1 4.29Å; V350-L361 HydrophobicContact CG1-CD1 3.46Å; V350-L361 VanDerWaalsContact CG1-CD1 3.46Å; F354-L361 HydrophobicContact CD2-CD1 3.94Å; F354-L361 HydrophobicContact CE2-CD1 4.17Å; V359-L361 HydrophobicContact CG1-CD2 3.77Å; L361-I518 HydrophobicContact CD1-CD1 4.4Å
362	Y	92.1	Very high	91.7	Very high	23 Å²	23	26.5 Å²	26.5	9%	0.09	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.4	-179	-69.9	-72.4	0	0	0	111	R180 I181 T317 I318 N319 L320 E360 I364	R180-Y362 HydrophobicContact CB-CE1 4.32Å; R180-Y362 WeakPolarHBondContact O-CD1 3.23Å; R180-Y362 WeakPolarHBondContact O-CE1 3.22Å; I181-Y362 CarbonylContact O-C 3.53Å; T317-Y362 HydrophobicContact CG2-CE2 3.98Å; I318-Y362 PolarHBondContact O-N 3.17Å; N319-Y362 CarbonylContact C-O 3.28Å; N319-Y362 WeakPolarHBondContact CA-O 3.24Å; L320-Y362 PolarHBondContact N-O 3.37Å; E360-Y362 HydrophobicContact CB-CE2 3.91Å; E360-Y362 PolarHBondContact OE2-OH 2.95Å; Y362-I364 PolarHBondContact O-N 2.66Å
363	L	92.7	Very high	91.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	111.5	168.7	-164.9	55.9	0	0	0	109	I181 F182 Y188 L320 L322 L347 Q365	I181-L363 PolarHBondContact O-N 2.92Å; F182-L363 HydrophobicContact CE1-CB 4.3Å; F182-L363 HydrophobicContact CE1-CD2 4Å; F182-L363 HydrophobicContact CZ-CD2 4.48Å; Y188-L363 HydrophobicContact CD2-CB 4.27Å; Y188-L363 HydrophobicContact CD2-CD2 4.23Å; Y188-L363 HydrophobicContact CD2-CG 3.9Å; Y188-L363 WeakPolarHBondContact CD2-O 3.1Å; Y188-L363 HydrophobicContact CE2-CD2 3.68Å; Y188-L363 HydrophobicContact CE2-CG 3.72Å; L320-L363 HydrophobicContact CB-CD1 4.42Å; L322-L363 HydrophobicContact CB-CD1 4.16Å; L322-L363 HydrophobicContact CD1-CD1 3.84Å; L322-L363 HydrophobicContact CG-CD1 3.72Å; L347-L363 HydrophobicContact CD2-CB 3.59Å; L347-L363 HydrophobicContact CD2-CD1 4.22Å; L347-L363 HydrophobicContact CD2-CD2 4.17Å; L347-L363 HydrophobicContact CD2-CG 4.2Å; L363-Q365 WeakPolarHBondContact CD1-O 3.4Å
364	I	89.1	Confident	91.7	Very high	18 Å²	18	28.1 Å²	28.1	9%	0.092	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-35.6	175.7	-71.5	-151.6	0	0	0	110.9	Y188 S189 N319 L320 Y362 K464	Y188-I364 WeakPolarHBondContact CA-O 3.35Å; S189-I364 PolarHBondContact N-O 3.33Å; S189-I364 VanDerWaalsContact N-O 3.09Å; N319-I364 HydrophobicContact CB-CD1 3.77Å; N319-I364 HydrophobicContact CB-CG1 4.02Å; N319-I364 VanDerWaalsContact OD1-CD1 3.25Å; N319-I364 WeakPolarHBondContact OD1-CD1 3.44Å; L320-I364 PolarHBondContact O-N 2.73Å; Y362-I364 PolarHBondContact O-N 2.66Å; I364-K464 HydrophobicContact CG2-CB 3.43Å; I364-K464 VanDerWaalsContact CG2-CB 3.43Å; I364-K464 HydrophobicContact CG2-CD 3.75Å; I364-K464 HydrophobicContact CG2-CG 4.2Å
365	Q	89.6	Confident	91.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.028	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	136.6	178.2	-174.5	163.1	77.4	0	0	111.2	S189 L320 A321 L322 L363	S189-Q365 WeakPolarHBondContact O-CA 3.34Å; L320-Q365 PolarHBondContact O-N 3.48Å; A321-Q365 VanDerWaalsContact CA-O 3.31Å; A321-Q365 WeakPolarHBondContact CA-O 3.3Å; A321-Q365 HydrophobicContact CB-CB 4.36Å; L322-Q365 PolarHBondContact N-O 3.21Å; L363-Q365 WeakPolarHBondContact CD1-O 3.4Å
366	S	92.6	Very high	91.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.6	153.7	64.7	0	0	0	0	109.5	Y188 S189 T190 L191 L322	Y188-S366 PolarHBondContact OH-OG 3.14Å; S189-S366 PolarHBondContact O-N 2.83Å; T190-S366 CarbonylContact C-O 3.46Å; T190-S366 WeakPolarHBondContact CA-O 3.22Å; T190-S366 WeakPolarHBondContact CG2-OG 3.22Å; L191-S366 PolarHBondContact N-O 3.37Å; L322-S366 CarbonylContact O-C 3.57Å; L322-S366 VanDerWaalsContact O-CA 3.31Å; L322-S366 WeakPolarHBondContact O-CA 3.16Å
367	E	93.5	Very high	91.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.2	178.9	177.1	-173.5	-165.5	0	0	108.3	L191 Y193 L322 T323 L324 W369 R395 Q469	L191-E367 HydrophobicContact CD2-CG 4.37Å; L191-E367 WeakPolarHBondContact O-CA 3.2Å; Y193-E367 HydrophobicContact CE2-CG 4.46Å; L322-E367 PolarHBondContact O-N 3.33Å; T323-E367 CarbonylContact C-O 3.59Å; T323-E367 VanDerWaalsContact CA-O 3.27Å; T323-E367 WeakPolarHBondContact CA-O 3.39Å; T323-E367 HydrophobicContact CG2-CB 4.08Å; T323-E367 HydrophobicContact CG2-CG 3.96Å; T323-E367 VanDerWaalsContact CG2-OE2 3.31Å; T323-E367 WeakPolarHBondContact CG2-OE2 3.46Å; T323-E367 PolarHBondContact OG1-OE2 3.17Å; L324-E367 PolarHBondContact N-O 3.27Å; E367-W369 VanDerWaalsContact CD-NE1 3.28Å; E367-W369 PolarHBondContact OE1-NE1 3Å; E367-R395 VanDerWaalsContact CD-NH1 3.33Å; E367-R395 IonicContact OE1-CZ 4Å; E367-R395 IonicContact OE1-NH1 3.87Å; E367-R395 PolarHBondContact OE1-NH1 2.76Å; E367-R395 IonicContact OE1-NH2 2.96Å; E367-R395 IonicContact OE2-NH1 2.86Å; E367-Q469 PolarHBondContact OE2-NE2 2.83Å
368	I	95.2	Very high	90.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.8	-174.8	-61.1	172.9	0	0	0	108.6	T190 L191 L324 F329 L336 I340 L343 T370	T190-I368 HydrophobicContact CG2-CD1 3.95Å; L191-I368 PolarHBondContact O-N 3.24Å; L324-I368 HydrophobicContact CB-CG1 4.34Å; L324-I368 HydrophobicContact CD2-CG2 4.14Å; F329-I368 HydrophobicContact CB-CG2 4.47Å; F329-I368 HydrophobicContact CD2-CG2 3.54Å; F329-I368 HydrophobicContact CE2-CG2 3.99Å; F329-I368 HydrophobicContact CG-CG2 4.13Å; L336-I368 HydrophobicContact CD1-CB 4.1Å; L336-I368 HydrophobicContact CD1-CD1 3.65Å; L336-I368 HydrophobicContact CD1-CG1 4.45Å; L336-I368 HydrophobicContact CD1-CG2 4.03Å; I340-I368 HydrophobicContact CG1-CD1 3.77Å; L343-I368 HydrophobicContact CD1-CG1 4.4Å; I368-T370 HydrophobicContact CB-CG2 4.39Å; I368-T370 HydrophobicContact CG2-CG2 3.72Å; I368-T370 PolarHBondContact O-N 3.39Å
369	W	95	Very high	90.5	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	17%	0.174	C	C	.	.			trans	-78.9	68.2	-178.4	-67.7	-11.2	0	0	0	111.5	Y193 T323 L324 D325 Y326 E367 L371 D373 L374 I375 F388 F391 L471	Y193-W369 AromaticContact CE2-CD1 3.99Å; T323-W369 HydrophobicContact CG2-CD2 4.11Å; T323-W369 VanDerWaalsContact CG2-CE2 3.47Å; T323-W369 HydrophobicContact CG2-CH2 4.28Å; T323-W369 HydrophobicContact CG2-CZ2 3.59Å; L324-W369 PolarHBondContact O-N 2.03Å; D325-W369 HydrophobicContact CB-CE3 3.89Å; D325-W369 HydrophobicContact CB-CZ3 4.16Å; Y326-W369 WeakPolarHBondContact CA-O 3.27Å; Y326-W369 VanDerWaalsContact CB-O 3.31Å; Y326-W369 WeakPolarHBondContact CB-O 3.35Å; Y326-W369 WeakPolarHBondContact CD2-O 3.42Å; E367-W369 VanDerWaalsContact CD-NE1 3.28Å; E367-W369 PolarHBondContact OE1-NE1 3Å; W369-L371 PolarHBondContact O-N 2.04Å; W369-L371 VanDerWaalsContact O-N 3.07Å; W369-D373 HydrophobicContact CE3-CB 4.08Å; W369-D373 HydrophobicContact CZ3-CB 4.23Å; W369-L374 HydrophobicContact CD2-CB 4.21Å; W369-L374 HydrophobicContact CD2-CG 4.06Å; W369-L374 HydrophobicContact CG-CD1 4.42Å; W369-L374 HydrophobicContact CG-CG 4.04Å; W369-L374 HydrophobicContact CH2-CB 4.47Å; W369-L374 HydrophobicContact CZ2-CB 3.95Å; W369-I375 HydrophobicContact CH2-CB 4.29Å; W369-I375 HydrophobicContact CH2-CD1 4.01Å; W369-I375 HydrophobicContact CH2-CG1 3.75Å; W369-I375 HydrophobicContact CH2-CG2 3.86Å; W369-I375 HydrophobicContact CZ2-CG2 4.45Å; W369-I375 HydrophobicContact CZ3-CD1 4.32Å; W369-I375 HydrophobicContact CZ3-CG1 3.86Å; W369-F388 HydrophobicContact CH2-CD2 4.33Å; W369-F388 HydrophobicContact CH2-CE2 4.37Å; W369-F388 HydrophobicContact CZ2-CE2 4.32Å; W369-F391 HydrophobicContact CZ2-CE1 4.03Å; W369-F391 HydrophobicContact CZ2-CZ 4.27Å; W369-L471 HydrophobicContact CH2-CD1 3.86Å; W369-L471 HydrophobicContact CH2-CD2 4.41Å; W369-L471 HydrophobicContact CZ2-CD1 4.42Å; W369-L471 HydrophobicContact CZ3-CD1 3.92Å; W369-L471 HydrophobicContact CZ3-CD2 4.45Å
370	T	94.1	Very high	90.4	Very high	20 Å²	20	34.4 Å²	34.4	12%	0.123	18%	0.176	C	C	.	.	S	Bend	trans	-62.2	-12.8	-171.9	46	0	0	0	0	116.7	Y193 F329 L336 I368	Y193-T370 WeakPolarHBondContact CA-OG1 3.44Å; Y193-T370 WeakPolarHBondContact CB-OG1 3.14Å; Y193-T370 PolarHBondContact N-OG1 3Å; Y193-T370 PolarHBondContact O-OG1 3.17Å; F329-T370 HydrophobicContact CD2-CG2 4.43Å; F329-T370 HydrophobicContact CE1-CG2 3.98Å; F329-T370 WeakPolarHBondContact CE1-O 3.42Å; F329-T370 HydrophobicContact CE2-CG2 3.88Å; F329-T370 HydrophobicContact CZ-CG2 3.62Å; L336-T370 HydrophobicContact CD1-CG2 4.02Å; I368-T370 HydrophobicContact CB-CG2 4.39Å; I368-T370 HydrophobicContact CG2-CG2 3.72Å; I368-T370 PolarHBondContact O-N 3.39Å
371	L	91.9	Very high	90.4	Very high	52 Å²	52	32.4 Å²	32.4	27%	0.272	17%	0.166	S	C	.	.	S	Bend	trans	-120	-35.5	-172.2	-69.7	179.7	0	0	0	115.5	K195 M201 W369	K195-L371 HydrophobicContact CG-CD1 3.83Å; K195-L371 HydrophobicContact CG-CD2 4.33Å; M201-L371 HydrophobicContact CE-CB 3.91Å; M201-L371 HydrophobicContact CE-CD1 3.88Å; M201-L371 HydrophobicContact CG-CD1 4.07Å; W369-L371 PolarHBondContact O-N 2.04Å; W369-L371 VanDerWaalsContact O-N 3.07Å
372	K	92.1	Very high	90.3	Very high	123 Å²	123	32.1 Å²	32.1	54%	0.535	16%	0.164	S	C	.	.	S	Bend	trans	-174.1	161.2	177.2	58.2	161.8	-171.9	169.5	0	108.4	M201	M201-K372 HydrophobicContact CE-CD 4.34Å; M201-K372 HydrophobicContact CE-CG 3.81Å
373	D	93.3	Very high	90.2	Very high	22 Å²	22	32.4 Å²	32.4	12%	0.118	17%	0.169	C	C	.	.			trans	-61.4	140.3	168.8	-65.3	-22.3	0	0	0	110.9	Y326 W369 S377 R475	Y326-D373 VanDerWaalsContact CB-OD1 3.31Å; Y326-D373 WeakPolarHBondContact CB-OD1 3.3Å; Y326-D373 PolarHBondContact N-OD1 3.1Å; W369-D373 HydrophobicContact CE3-CB 4.08Å; W369-D373 HydrophobicContact CZ3-CB 4.23Å; D373-S377 PolarHBondContact OD2-OG 2.93Å; D373-R475 IonicContact OD2-CZ 2.71Å; D373-R475 VanDerWaalsContact OD2-CZ 3.32Å; D373-R475 IonicContact OD2-NE 2.94Å; D373-R475 PolarHBondContact OD2-NE 3.31Å; D373-R475 IonicContact OD2-NH2 2.98Å; D373-R475 PolarHBondContact OD2-NH2 3.27Å
374	L	91.6	Very high	90.2	Very high	44 Å²	44	32.5 Å²	32.5	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-92.9	-7.1	176.6	-57.2	-171.7	0	0	0	113.2	Y193 M201 W369 F391	Y193-L374 HydrophobicContact CE1-CD1 4.02Å; Y193-L374 HydrophobicContact CE2-CD1 3.93Å; M201-L374 HydrophobicContact CE-CD2 4.31Å; M201-L374 HydrophobicContact SD-CD2 4.02Å; W369-L374 HydrophobicContact CD2-CB 4.21Å; W369-L374 HydrophobicContact CD2-CG 4.06Å; W369-L374 HydrophobicContact CG-CD1 4.42Å; W369-L374 HydrophobicContact CG-CG 4.04Å; W369-L374 HydrophobicContact CH2-CB 4.47Å; W369-L374 HydrophobicContact CZ2-CB 3.95Å; L374-F391 HydrophobicContact CB-CE2 3.87Å; L374-F391 HydrophobicContact CB-CZ 4.22Å; L374-F391 HydrophobicContact CD1-CE2 4.13Å; L374-F391 HydrophobicContact CD1-CZ 4.02Å
375	I	92.5	Very high	90.4	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.082	17%	0.165	C	C	.	.	S	Bend	trans	-117.6	155.7	171.3	69.3	178	0	0	0	110.4	W369 S377 T384 N387 F388 F391 L471	W369-I375 HydrophobicContact CH2-CB 4.29Å; W369-I375 HydrophobicContact CH2-CD1 4.01Å; W369-I375 HydrophobicContact CH2-CG1 3.75Å; W369-I375 HydrophobicContact CH2-CG2 3.86Å; W369-I375 HydrophobicContact CZ2-CG2 4.45Å; W369-I375 HydrophobicContact CZ3-CD1 4.32Å; W369-I375 HydrophobicContact CZ3-CG1 3.86Å; I375-S377 VanDerWaalsContact C-N 3.33Å; I375-S377 PolarHBondContact O-N 3.02Å; I375-T384 HydrophobicContact CD1-CG2 3.93Å; I375-N387 HydrophobicContact CB-CB 4.36Å; I375-F388 HydrophobicContact CD1-CB 3.98Å; I375-F388 HydrophobicContact CD1-CD2 4.28Å; I375-F391 HydrophobicContact CG2-CB 3.68Å; I375-F391 HydrophobicContact CG2-CD1 4.42Å; I375-F391 HydrophobicContact CG2-CD2 4.33Å; I375-F391 HydrophobicContact CG2-CG 3.92Å; I375-L471 HydrophobicContact CD1-CD2 3.74Å
376	Q	85.6	Confident	90.5	Very high	152 Å²	152	31.9 Å²	31.9	71%	0.71	17%	0.167	S	C	*	.			trans	-75.7	88.5	168.4	-171.2	176.5	4.4	0	0	109.3	N387	Q376-N387 PolarHBondContact O-ND2 2.91Å
377	S	74.7	Confident	90.4	Very high	24 Å²	24	33.9 Å²	33.9	17%	0.168	18%	0.177	C	C	.	.			trans	-68.5	131.9	175.3	38.7	0	0	0	0	110.6	D373 I375 R475	D373-S377 PolarHBondContact OD2-OG 2.93Å; I375-S377 VanDerWaalsContact C-N 3.33Å; I375-S377 PolarHBondContact O-N 3.02Å; S377-R475 PolarHBondContact OG-NE 3.24Å; S377-R475 PolarHBondContact OG-NH1 3.12Å; S377-R475 PolarHBondContact OG-NH2 3.47Å
378	N	82.7	Confident	90.5	Very high	70 Å²	70	33.9 Å²	33.9	37%	0.374	18%	0.177	S	C	.	.			trans	-127.3	164.9	-169.9	-163.7	-53.6	0	0	0	110.3	S380 T383 T384 F477	N378-S380 PolarHBondContact O-N 3.13Å; N378-S380 PolarHBondContact OD1-N 3.08Å; N378-T383 HydrophobicContact CB-CG2 3.79Å; N378-T384 PolarHBondContact N-OG1 2.9Å; N378-T384 PolarHBondContact O-OG1 3.15Å; N378-F477 WeakPolarHBondContact O-CD1 3.49Å; N378-F477 WeakPolarHBondContact O-CE1 3.27Å
379	V	85.9	Confident	90.3	Very high	82 Å²	82	34 Å²	34	50%	0.497	18%	0.178	S	C	.	.	S	Bend	trans	-68.1	-20	178.7	-154.6	0	0	0	0	112.1	F477 T478	V379-F477 CarbonylContact O-C 3.44Å; V379-F477 VanDerWaalsContact O-CA 3.3Å; V379-F477 WeakPolarHBondContact O-CA 3.37Å; V379-T478 HydrophobicContact CG1-CG2 3.55Å; V379-T478 PolarHBondContact O-N 3.29Å; V379-T478 PolarHBondContact O-OG1 2.9Å; V379-T478 VanDerWaalsContact O-OG1 3.1Å
380	S	89.8	Confident	90	Very high	15 Å²	15	37.1 Å²	37.1	11%	0.105	19%	0.193	C	C	.	.	S	Bend	trans	-86.8	133.7	166.6	174.7	0	0	0	0	112.1	N378 K382 T383 T384 N479	N378-S380 PolarHBondContact O-N 3.13Å; N378-S380 PolarHBondContact OD1-N 3.08Å; S380-K382 PolarHBondContact OG-N 3.04Å; S380-T383 PolarHBondContact OG-N 3.42Å; S380-T384 PolarHBondContact O-N 3.41Å; S380-T384 PolarHBondContact O-OG1 3.4Å; S380-N479 WeakPolarHBondContact CA-OD1 3.31Å; S380-N479 PolarHBondContact OG-OD1 2.84Å
381	I	92	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67	-37.5	171.9	-158.6	173.5	0	0	0	111.6	L289 T384 L385 F477 N479 V481 I484 I498	L289-I381 HydrophobicContact CD1-CG2 4.44Å; I381-T384 PolarHBondContact O-N 3.42Å; I381-L385 PolarHBondContact O-N 3.28Å; I381-F477 HydrophobicContact CB-CB 4.23Å; I381-F477 HydrophobicContact CB-CD1 3.99Å; I381-F477 HydrophobicContact CB-CD2 3.78Å; I381-F477 HydrophobicContact CB-CE1 4.29Å; I381-F477 HydrophobicContact CB-CE2 4.11Å; I381-F477 HydrophobicContact CB-CG 3.72Å; I381-F477 HydrophobicContact CB-CZ 4.34Å; I381-F477 HydrophobicContact CD1-CD2 3.79Å; I381-F477 HydrophobicContact CD1-CE2 3.82Å; I381-F477 HydrophobicContact CG1-CD1 4.46Å; I381-F477 HydrophobicContact CG1-CD2 3.68Å; I381-F477 HydrophobicContact CG1-CE1 4.36Å; I381-F477 HydrophobicContact CG1-CE2 3.57Å; I381-F477 HydrophobicContact CG1-CG 4.14Å; I381-F477 HydrophobicContact CG1-CZ 3.92Å; I381-N479 HydrophobicContact CG2-CB 4.05Å; I381-N479 PolarHBondContact N-OD1 3.33Å; I381-V481 HydrophobicContact CD1-CG2 4.02Å; I381-V481 HydrophobicContact CG2-CG2 3.79Å; I381-I484 HydrophobicContact CD1-CB 4.1Å; I381-I484 HydrophobicContact CD1-CG2 3.77Å; I381-I484 HydrophobicContact CG1-CB 4.42Å; I381-I484 HydrophobicContact CG1-CG2 3.68Å; I381-I484 HydrophobicContact CG2-CG2 4.35Å; I381-I498 HydrophobicContact CD1-CB 4.42Å; I381-I498 HydrophobicContact CG1-CB 4.2Å; I381-I498 HydrophobicContact CG1-CG2 4.23Å
382	K	90	Very high	89.7	Confident	4 Å²	4	35.7 Å²	35.7	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.5	-168.4	178.5	-176.7	179.1	0	112	P290 V291 S380 T384 L385 N386 E588 V619	P290-K382 WeakPolarHBondContact O-CD 3.01Å; P290-K382 PolarHBondContact O-NZ 2.95Å; V291-K382 HydrophobicContact CG1-CD 4.2Å; S380-K382 PolarHBondContact OG-N 3.04Å; K382-T384 VanDerWaalsContact C-N 3.26Å; K382-T384 PolarHBondContact O-N 3.34Å; K382-L385 WeakPolarHBondContact O-CB 3.32Å; K382-L385 PolarHBondContact O-N 2.71Å; K382-N386 PolarHBondContact O-N 2.84Å; K382-N386 PolarHBondContact O-OD1 3.11Å; K382-E588 WeakPolarHBondContact CE-OE2 3.31Å; K382-E588 VanDerWaalsContact NZ-CD 3.26Å; K382-E588 IonicContact NZ-OE1 3.34Å; K382-E588 PolarHBondContact NZ-OE1 3.19Å; K382-E588 IonicContact NZ-OE2 3.58Å; K382-E588 PolarHBondContact NZ-OE2 2.94Å; K382-V619 HydrophobicContact CB-CG2 3.95Å; K382-V619 HydrophobicContact CD-CG2 4.12Å; K382-V619 HydrophobicContact CG-CG2 3.92Å
383	T	89.7	Confident	89.2	Confident	30 Å²	30	31 Å²	31	18%	0.184	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-40.4	174.3	-53.4	0	0	0	0	110.7	N378 S380 N386 N387 V619	N378-T383 HydrophobicContact CB-CG2 3.79Å; S380-T383 PolarHBondContact OG-N 3.42Å; T383-N386 PolarHBondContact O-N 2.95Å; T383-N387 WeakPolarHBondContact O-CB 2.96Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.43Å; T383-V619 VanDerWaalsContact OG1-CG2 3.3Å; T383-V619 WeakPolarHBondContact OG1-CG2 3.3Å
384	T	93.5	Very high	88.7	Confident	2 Å²	2	32 Å²	32	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-67.3	-37.7	178.4	-56.3	0	0	0	0	111.7	I375 N378 S380 I381 K382 N387 F388 L471 F477 I498	I375-T384 HydrophobicContact CD1-CG2 3.93Å; N378-T384 PolarHBondContact N-OG1 2.9Å; N378-T384 PolarHBondContact O-OG1 3.15Å; S380-T384 PolarHBondContact O-N 3.41Å; S380-T384 PolarHBondContact O-OG1 3.4Å; I381-T384 PolarHBondContact O-N 3.42Å; K382-T384 VanDerWaalsContact C-N 3.26Å; K382-T384 PolarHBondContact O-N 3.34Å; T384-N387 PolarHBondContact O-N 2.64Å; T384-F388 WeakPolarHBondContact O-CB 3.39Å; T384-F388 PolarHBondContact O-N 2.98Å; T384-L471 HydrophobicContact CG2-CD2 4.3Å; T384-F477 HydrophobicContact CG2-CE1 4.37Å; T384-F477 HydrophobicContact CG2-CZ 4.3Å; T384-I498 HydrophobicContact CG2-CD1 4.39Å; T384-I498 HydrophobicContact CG2-CG2 4.48Å
385	L	93.6	Very high	88.2	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-51	171.4	-179.9	68.4	0	0	0	112	W293 I381 K382 N387 F388 A389 I484 I486 V496 I498	W293-L385 HydrophobicContact CZ2-CD2 4.42Å; I381-L385 PolarHBondContact O-N 3.28Å; K382-L385 WeakPolarHBondContact O-CB 3.32Å; K382-L385 PolarHBondContact O-N 2.71Å; L385-N387 VanDerWaalsContact C-N 3.31Å; L385-N387 PolarHBondContact O-N 2.73Å; L385-F388 PolarHBondContact O-N 3.02Å; L385-A389 WeakPolarHBondContact O-CB 3.43Å; L385-A389 PolarHBondContact O-N 3.24Å; L385-I484 HydrophobicContact CB-CG2 4.13Å; L385-I484 HydrophobicContact CD1-CG2 4.4Å; L385-I484 HydrophobicContact CD2-CD1 3.83Å; L385-I484 HydrophobicContact CD2-CG1 4.12Å; L385-I484 HydrophobicContact CD2-CG2 4.08Å; L385-I484 HydrophobicContact CG-CG2 4.44Å; L385-I486 HydrophobicContact CD1-CG1 4.27Å; L385-I486 HydrophobicContact CD2-CG1 4.1Å; L385-V496 HydrophobicContact CD1-CG2 4.05Å; L385-I498 HydrophobicContact CB-CG1 4Å; L385-I498 HydrophobicContact CD1-CD1 4.42Å; L385-I498 HydrophobicContact CD1-CG1 4.05Å
386	N	90.7	Very high	87.5	Confident	10 Å²	10	34.3 Å²	34.3	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-43.7	179.2	-69.6	11.6	0	0	0	111.1	K382 T383 F388 A389 H390 L616 A617	K382-N386 PolarHBondContact O-N 2.84Å; K382-N386 PolarHBondContact O-OD1 3.11Å; T383-N386 PolarHBondContact O-N 2.95Å; N386-F388 PolarHBondContact O-N 2.67Å; N386-A389 PolarHBondContact O-N 3.34Å; N386-H390 VanDerWaalsContact O-CB 3.31Å; N386-H390 WeakPolarHBondContact O-CB 3.01Å; N386-H390 PolarHBondContact O-N 2.04Å; N386-L616 WeakPolarHBondContact OD1-CB 3.34Å; N386-L616 WeakPolarHBondContact OD1-CD1 3.09Å; N386-A617 PolarHBondContact ND2-O 3.18Å
387	N	92.1	Very high	86.9	Confident	42 Å²	42	32.3 Å²	32.3	23%	0.225	16%	0.159	C	C	.	.	H	α-helix	trans	-67.2	-34.7	179	-71	-9.8	0	0	0	112.5	I375 Q376 T383 T384 L385 F391	I375-N387 HydrophobicContact CB-CB 4.36Å; Q376-N387 PolarHBondContact O-ND2 2.91Å; T383-N387 WeakPolarHBondContact O-CB 2.96Å; T383-N387 VanDerWaalsContact O-CG 3.24Å; T383-N387 PolarHBondContact O-N 3.43Å; T384-N387 PolarHBondContact O-N 2.64Å; L385-N387 VanDerWaalsContact C-N 3.31Å; L385-N387 PolarHBondContact O-N 2.73Å; N387-F391 WeakPolarHBondContact O-CB 3.4Å; N387-F391 PolarHBondContact O-N 3.22Å; N387-F391 VanDerWaalsContact O-N 3.08Å
388	F	94	Very high	86.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-72.4	-43.8	175.1	-169.6	-125.8	0	0	0	112.4	T323 W369 I375 T384 L385 N386 H390 F391 I392 Q469 L471 I498	T323-F388 HydrophobicContact CG2-CE2 4.28Å; W369-F388 HydrophobicContact CH2-CD2 4.33Å; W369-F388 HydrophobicContact CH2-CE2 4.37Å; W369-F388 HydrophobicContact CZ2-CE2 4.32Å; I375-F388 HydrophobicContact CD1-CB 3.98Å; I375-F388 HydrophobicContact CD1-CD2 4.28Å; T384-F388 WeakPolarHBondContact O-CB 3.39Å; T384-F388 PolarHBondContact O-N 2.98Å; L385-F388 PolarHBondContact O-N 3.02Å; N386-F388 PolarHBondContact O-N 2.67Å; F388-H390 VanDerWaalsContact C-N 3.33Å; F388-H390 PolarHBondContact O-N 3.09Å; F388-F391 HydrophobicContact CD2-CD1 4.26Å; F388-F391 HydrophobicContact CE2-CD1 4.35Å; F388-F391 WeakPolarHBondContact O-CB 3.44Å; F388-F391 PolarHBondContact O-N 2.04Å; F388-I392 HydrophobicContact CD1-CD1 3.77Å; F388-I392 HydrophobicContact CD2-CD1 4.3Å; F388-I392 HydrophobicContact CE1-CD1 3.54Å; F388-I392 HydrophobicContact CE2-CD1 4.1Å; F388-I392 HydrophobicContact CE2-CG1 4.47Å; F388-I392 HydrophobicContact CG-CD1 4.15Å; F388-I392 HydrophobicContact CZ-CD1 3.73Å; F388-I392 WeakPolarHBondContact O-CG1 3.1Å; F388-I392 PolarHBondContact O-N 3.05Å; F388-Q469 HydrophobicContact CE1-CG 4.2Å; F388-Q469 HydrophobicContact CZ-CG 3.87Å; F388-L471 HydrophobicContact CD1-CB 4.02Å; F388-L471 HydrophobicContact CD2-CB 4.28Å; F388-L471 HydrophobicContact CD2-CD2 4.29Å; F388-L471 HydrophobicContact CE1-CB 3.69Å; F388-L471 HydrophobicContact CE2-CB 3.99Å; F388-L471 HydrophobicContact CE2-CD1 4.12Å; F388-L471 HydrophobicContact CE2-CG 4.46Å; F388-L471 HydrophobicContact CG-CB 4.29Å; F388-L471 HydrophobicContact CG-CD2 4.49Å; F388-L471 HydrophobicContact CZ-CB 3.67Å; F388-L471 HydrophobicContact CZ-CD1 4.44Å; F388-I498 HydrophobicContact CB-CD1 3.85Å; F388-I498 HydrophobicContact CD1-CD1 3.7Å; F388-I498 HydrophobicContact CG-CD1 3.98Å
389	A	91.7	Very high	85.3	Confident	3 Å²	3	39 Å²	39	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-45.7	173.9	0	0	0	0	0	111.5	L385 N386 F391 I392 I393 V496 T614 L616	L385-A389 WeakPolarHBondContact O-CB 3.43Å; L385-A389 PolarHBondContact O-N 3.24Å; N386-A389 PolarHBondContact O-N 3.34Å; A389-F391 PolarHBondContact O-N 3.28Å; A389-I392 PolarHBondContact O-N 3.21Å; A389-I393 WeakPolarHBondContact O-CB 3.26Å; A389-I393 WeakPolarHBondContact O-CG1 3.37Å; A389-I393 PolarHBondContact O-N 2.87Å; A389-V496 HydrophobicContact CB-CG2 4.19Å; A389-T614 HydrophobicContact CB-CG2 3.86Å; A389-L616 HydrophobicContact CB-CD1 4.14Å
390	H	88.9	Confident	83.8	Confident	67 Å²	67	40.4 Å²	40.4	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-61.7	-40.8	176	175.6	-114.8	0	0	0	112.8	N386 F388 N394 D613 T614	N386-H390 VanDerWaalsContact O-CB 3.31Å; N386-H390 WeakPolarHBondContact O-CB 3.01Å; N386-H390 PolarHBondContact O-N 2.04Å; F388-H390 VanDerWaalsContact C-N 3.33Å; F388-H390 PolarHBondContact O-N 3.09Å; H390-N394 PolarHBondContact CD2-ND2 3.14Å; H390-N394 PolarHBondContact CE1-ND2 2.83Å; H390-N394 VanDerWaalsContact CE1-ND2 3.33Å; H390-N394 PolarHBondContact NE2-ND2 3.19Å; H390-N394 WeakPolarHBondContact O-CB 3.4Å; H390-N394 PolarHBondContact O-N 2.92Å; H390-N394 PolarHBondContact O-ND2 3.05Å; H390-D613 IonicContact CD2-OD2 3.97Å; H390-D613 IonicContact NE2-OD2 2.83Å; H390-T614 HydrophobicContact CB-CG2 3.84Å
391	F	90.1	Very high	81.7	Confident	40 Å²	40	43.5 Å²	43.5	18%	0.175	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-48.3	173.5	168.1	-101.8	0	0	0	112	W369 L374 I375 N387 F388 A389 N394 R395	W369-F391 HydrophobicContact CZ2-CE1 4.03Å; W369-F391 HydrophobicContact CZ2-CZ 4.27Å; L374-F391 HydrophobicContact CB-CE2 3.87Å; L374-F391 HydrophobicContact CB-CZ 4.22Å; L374-F391 HydrophobicContact CD1-CE2 4.13Å; L374-F391 HydrophobicContact CD1-CZ 4.02Å; I375-F391 HydrophobicContact CG2-CB 3.68Å; I375-F391 HydrophobicContact CG2-CD1 4.42Å; I375-F391 HydrophobicContact CG2-CD2 4.33Å; I375-F391 HydrophobicContact CG2-CG 3.92Å; N387-F391 WeakPolarHBondContact O-CB 3.4Å; N387-F391 PolarHBondContact O-N 3.22Å; N387-F391 VanDerWaalsContact O-N 3.08Å; F388-F391 HydrophobicContact CD2-CD1 4.26Å; F388-F391 HydrophobicContact CE2-CD1 4.35Å; F388-F391 WeakPolarHBondContact O-CB 3.44Å; F388-F391 PolarHBondContact O-N 2.04Å; A389-F391 PolarHBondContact O-N 3.28Å; F391-N394 PolarHBondContact O-N 3.09Å; F391-R395 WeakPolarHBondContact O-CB 3.15Å; F391-R395 PolarHBondContact O-N 3.09Å
392	I	88.6	Confident	79.3	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-46.7	-179.3	-67	168.9	0	0	0	111.3	F388 A389 N394 R395 R396 Q469 V496	F388-I392 HydrophobicContact CD1-CD1 3.77Å; F388-I392 HydrophobicContact CD2-CD1 4.3Å; F388-I392 HydrophobicContact CE1-CD1 3.54Å; F388-I392 HydrophobicContact CE2-CD1 4.1Å; F388-I392 HydrophobicContact CE2-CG1 4.47Å; F388-I392 HydrophobicContact CG-CD1 4.15Å; F388-I392 HydrophobicContact CZ-CD1 3.73Å; F388-I392 WeakPolarHBondContact O-CG1 3.1Å; F388-I392 PolarHBondContact O-N 3.05Å; A389-I392 PolarHBondContact O-N 3.21Å; I392-N394 PolarHBondContact O-N 2.93Å; I392-R395 PolarHBondContact O-N 3.36Å; I392-R396 WeakPolarHBondContact O-CG 3.47Å; I392-R396 PolarHBondContact O-N 3.48Å; I392-Q469 HydrophobicContact CD1-CB 4.11Å; I392-Q469 HydrophobicContact CD1-CG 3.95Å; I392-Q469 VanDerWaalsContact CD1-OE1 3.24Å; I392-Q469 VanDerWaalsContact CG1-OE1 3.29Å; I392-V496 HydrophobicContact CD1-CB 4.32Å; I392-V496 HydrophobicContact CD1-CG1 3.54Å
393	I	82.8	Confident	76.8	Confident	23 Å²	23	52.1 Å²	52.1	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-45.1	178.3	-71.8	175.1	0	0	0	110.5	A389 R395 R396 R397 D613 T614	A389-I393 WeakPolarHBondContact O-CB 3.26Å; A389-I393 WeakPolarHBondContact O-CG1 3.37Å; A389-I393 PolarHBondContact O-N 2.87Å; I393-R395 PolarHBondContact O-N 2.83Å; I393-R396 PolarHBondContact O-N 3.42Å; I393-R397 HydrophobicContact CG2-CG 4.41Å; I393-R397 VanDerWaalsContact O-CG 3.31Å; I393-R397 WeakPolarHBondContact O-CG 3.36Å; I393-R397 PolarHBondContact O-N 2.82Å; I393-D613 VanDerWaalsContact CD1-O 3.24Å; I393-D613 WeakPolarHBondContact CD1-O 3.39Å; I393-T614 HydrophobicContact CD1-CG2 4.18Å
394	N	83.3	Confident	74.4	Confident	44 Å²	44	58.1 Å²	58.1	24%	0.235	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-32	178.2	-76.3	-36.2	0	0	0	113.8	H390 F391 I392 R397 K398	H390-N394 PolarHBondContact CD2-ND2 3.14Å; H390-N394 PolarHBondContact CE1-ND2 2.83Å; H390-N394 VanDerWaalsContact CE1-ND2 3.33Å; H390-N394 PolarHBondContact NE2-ND2 3.19Å; H390-N394 WeakPolarHBondContact O-CB 3.4Å; H390-N394 PolarHBondContact O-N 2.92Å; H390-N394 PolarHBondContact O-ND2 3.05Å; F391-N394 PolarHBondContact O-N 3.09Å; I392-N394 PolarHBondContact O-N 2.93Å; N394-R397 PolarHBondContact OD1-NH1 3.49Å; N394-K398 WeakPolarHBondContact O-CG 3.41Å; N394-K398 PolarHBondContact O-N 3.19Å; N394-K398 VanDerWaalsContact O-N 3.1Å
395	R	81.2	Confident	72	Confident	46 Å²	46	63.5 Å²	63.5	17%	0.174	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-46.4	172.1	-159.2	178.4	-159.4	152	9.2	110.9	Y193 E203 E367 F391 I392 I393 K398 Y399	Y193-R395 PolarHBondContact OH-NH2 3.5Å; E203-R395 VanDerWaalsContact CD-NH2 3.25Å; E203-R395 IonicContact OE1-CZ 3.76Å; E203-R395 IonicContact OE1-NH2 3.11Å; E203-R395 PolarHBondContact OE1-NH2 2.76Å; E203-R395 IonicContact OE2-CZ 2.73Å; E203-R395 IonicContact OE2-NH2 3.75Å; E203-R395 PolarHBondContact OE2-NH2 3.06Å; E367-R395 VanDerWaalsContact CD-NH1 3.33Å; E367-R395 IonicContact OE1-CZ 4Å; E367-R395 IonicContact OE1-NH1 3.87Å; E367-R395 PolarHBondContact OE1-NH1 2.76Å; E367-R395 IonicContact OE1-NH2 2.96Å; E367-R395 IonicContact OE2-NH1 2.86Å; F391-R395 WeakPolarHBondContact O-CB 3.15Å; F391-R395 PolarHBondContact O-N 3.09Å; I392-R395 PolarHBondContact O-N 3.36Å; I393-R395 PolarHBondContact O-N 2.83Å; R395-K398 PolarHBondContact O-N 3.36Å; R395-Y399 PolarHBondContact O-N 3.01Å
396	R	76.7	Confident	69.3	Low	63 Å²	63	69 Å²	69	24%	0.238	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-38.6	176.1	-71	172.2	172.6	164.8	-9.4	112.9	I392 I393 Y399 H400 P493	I392-R396 WeakPolarHBondContact O-CG 3.47Å; I392-R396 PolarHBondContact O-N 3.48Å; I393-R396 PolarHBondContact O-N 3.42Å; R396-Y399 WeakPolarHBondContact O-CB 3.37Å; R396-Y399 PolarHBondContact O-N 3.03Å; R396-H400 PolarHBondContact O-N 3.08Å; R396-H400 VanDerWaalsContact O-N 3.17Å; R396-P493 PolarHBondContact NH1-O 2.72Å
397	R	72.5	Confident	67	Low	109 Å²	109	75.1 Å²	75.1	41%	0.411	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-51	174.4	-75	169.8	177.4	177.2	-6.2	112.1	I393 N394 Y399 H400 S401 D613	I393-R397 HydrophobicContact CG2-CG 4.41Å; I393-R397 VanDerWaalsContact O-CG 3.31Å; I393-R397 WeakPolarHBondContact O-CG 3.36Å; I393-R397 PolarHBondContact O-N 2.82Å; N394-R397 PolarHBondContact OD1-NH1 3.49Å; R397-Y399 VanDerWaalsContact C-N 3.26Å; R397-Y399 PolarHBondContact O-N 2.68Å; R397-H400 PolarHBondContact O-N 3.03Å; R397-H400 VanDerWaalsContact O-N 3.16Å; R397-S401 PolarHBondContact O-N 2.83Å; R397-S401 VanDerWaalsContact O-N 3.09Å; R397-S401 PolarHBondContact O-OG 3.13Å; R397-D613 IonicContact CZ-OD1 3.4Å; R397-D613 IonicContact NH1-OD1 3.65Å; R397-D613 PolarHBondContact NH1-OD1 3.04Å; R397-D613 IonicContact NH2-OD1 3.86Å; R397-D613 PolarHBondContact NH2-OD1 2.91Å
398	K	66.6	Low	64.3	Low	163 Å²	163	78.7 Å²	78.7	71%	0.709	38%	0.384	S	S	*	.	H	α-helix	trans	-55.8	-41.4	177.8	-74.1	175.6	178.5	-179.5	0	112.1	N394 R395 S401 S402	N394-K398 WeakPolarHBondContact O-CG 3.41Å; N394-K398 PolarHBondContact O-N 3.19Å; N394-K398 VanDerWaalsContact O-N 3.1Å; R395-K398 PolarHBondContact O-N 3.36Å; K398-S401 PolarHBondContact O-N 3.24Å; K398-S402 PolarHBondContact O-N 2.97Å; K398-S402 VanDerWaalsContact O-N 3.12Å
399	Y	57.1	Low	61.5	Low	73 Å²	73	86.2 Å²	86.2	29%	0.286	43%	0.429	S	S	.	.	H	α-helix	trans	-58	-53.2	175.2	-176.2	-83.2	0	0	0	111.8	R395 R396 R397 S401 S402 M403 Y462 T463	R395-Y399 PolarHBondContact O-N 3.01Å; R396-Y399 WeakPolarHBondContact O-CB 3.37Å; R396-Y399 PolarHBondContact O-N 3.03Å; R397-Y399 VanDerWaalsContact C-N 3.26Å; R397-Y399 PolarHBondContact O-N 2.68Å; Y399-S401 PolarHBondContact O-N 2.97Å; Y399-S402 PolarHBondContact O-N 3.23Å; Y399-S402 VanDerWaalsContact O-N 3.12Å; Y399-S402 PolarHBondContact O-OG 3.47Å; Y399-M403 PolarHBondContact O-N 2.92Å; Y399-Y462 AromaticContact CE2-CD1 3.74Å; Y399-Y462 HydrophobicContact CE2-CD1 3.74Å; Y399-Y462 HydrophobicContact CE2-CG 4.43Å; Y399-Y462 AromaticContact CZ-CD1 3.94Å; Y399-Y462 WeakPolarHBondContact OH-CD1 3.35Å; Y399-T463 VanDerWaalsContact CD2-OG1 3.28Å; Y399-T463 WeakPolarHBondContact CD2-OG1 3.47Å
400	H	54.3	Low	58.9	Low	111 Å²	111	90.2 Å²	90.2	51%	0.514	45%	0.453	S	S	.	.	H	α-helix	trans	-58.9	-43.6	179.5	-91.3	-77.1	0	0	0	112.9	R396 R397 S402 M403 F404	R396-H400 PolarHBondContact O-N 3.08Å; R396-H400 VanDerWaalsContact O-N 3.17Å; R397-H400 PolarHBondContact O-N 3.03Å; R397-H400 VanDerWaalsContact O-N 3.16Å; H400-S402 VanDerWaalsContact C-N 3.31Å; H400-S402 PolarHBondContact O-N 3.35Å; H400-M403 PolarHBondContact O-N 3.35Å; H400-F404 WeakPolarHBondContact O-CD2 3.25Å; H400-F404 PolarHBondContact O-N 3.01Å
401	S	46.8	Very low	56.2	Low	79 Å²	79	92.9 Å²	92.9	55%	0.552	47%	0.47	S	S	*	.	H	α-helix	trans	-61.4	-38.8	174.4	-59.2	0	0	0	0	112.5	R397 K398 Y399 M403 F404 V405	R397-S401 PolarHBondContact O-N 2.83Å; R397-S401 VanDerWaalsContact O-N 3.09Å; R397-S401 PolarHBondContact O-OG 3.13Å; K398-S401 PolarHBondContact O-N 3.24Å; Y399-S401 PolarHBondContact O-N 2.97Å; S401-M403 VanDerWaalsContact C-N 3.26Å; S401-M403 PolarHBondContact O-N 3.25Å; S401-F404 PolarHBondContact O-N 2.92Å; S401-V405 WeakPolarHBondContact O-CG2 3.4Å; S401-V405 PolarHBondContact O-N 3.31Å
402	S	41.7	Very low	53.6	Low	60 Å²	60	101.4 Å²	101.4	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-27	177.7	132.5	0	0	0	0	113.6	K398 Y399 H400	K398-S402 PolarHBondContact O-N 2.97Å; K398-S402 VanDerWaalsContact O-N 3.12Å; Y399-S402 PolarHBondContact O-N 3.23Å; Y399-S402 VanDerWaalsContact O-N 3.12Å; Y399-S402 PolarHBondContact O-OG 3.47Å; H400-S402 VanDerWaalsContact C-N 3.31Å; H400-S402 PolarHBondContact O-N 3.35Å
403	M	38	Very low	51.4	Low	125 Å²	125	105.5 Å²	105.5	62%	0.616	54%	0.536	S	S	*	.	H	α-helix	trans	-74.5	-38.6	179.5	-168.3	175.4	-177.4	0	0	112.3	Y399 H400 S401	Y399-M403 PolarHBondContact O-N 2.92Å; H400-M403 PolarHBondContact O-N 3.35Å; S401-M403 VanDerWaalsContact C-N 3.26Å; S401-M403 PolarHBondContact O-N 3.25Å
404	F	38.2	Very low	49.1	Very low	155.5 Å²	155.5	109 Å²	109	68%	0.682	55%	0.554	S	S	*	*	H	α-helix	trans	-73.5	-31.6	178.3	-76.7	-76.9	0	0	0	113.4	H400 S401 K406 N407	H400-F404 WeakPolarHBondContact O-CD2 3.25Å; H400-F404 PolarHBondContact O-N 3.01Å; S401-F404 PolarHBondContact O-N 2.92Å; F404-K406 VanDerWaalsContact C-N 3.27Å; F404-K406 PolarHBondContact O-N 2.72Å; F404-N407 PolarHBondContact O-N 3.42Å
405	V	42.7	Very low	46.7	Very low	115 Å²	115	112.7 Å²	112.7	70%	0.697	58%	0.578	S	S	*	*	H	α-helix	trans	-70.1	-25.1	-180	173	0	0	0	0	112.9	S401	S401-V405 WeakPolarHBondContact O-CG2 3.4Å; S401-V405 PolarHBondContact O-N 3.31Å
406	K	37.9	Very low	44.3	Very low	118 Å²	118	115.7 Å²	115.7	51%	0.513	60%	0.602	S	S	.	*	H	α-helix	trans	-77.2	-24.2	-178.4	-79.4	-172.8	176	-175.9	0	115.2	F404 P459 Y462	F404-K406 VanDerWaalsContact C-N 3.27Å; F404-K406 PolarHBondContact O-N 2.72Å; K406-P459 PolarHBondContact NZ-O 2.68Å; K406-Y462 PolarHBondContact NZ-OH 3.18Å
407	N	42	Very low	42	Very low	138.5 Å²	138.5	117.7 Å²	117.7	74%	0.741	62%	0.621	S	S	*	*	H	α-helix	trans	-100.2	-2.8	-171	-75.5	18	0	0	0	114.3	F404	F404-N407 PolarHBondContact O-N 3.42Å
408	N	34.9	Very low	40	Very low	116.5 Å²	116.5	120.5 Å²	120.5	62%	0.623	64%	0.64	S	S	*	*			trans	-124.2	101.8	177.7	-90.2	-7.4	0	0	0	110.8	V410	N408-V410 HydrophobicContact CB-CB 4.3Å; N408-V410 HydrophobicContact CB-CG2 3.85Å; N408-V410 PolarHBondContact O-N 3.2Å
409	V	35.5	Very low	38.1	Very low	158.5 Å²	158.5	118.3 Å²	118.3	96%	0.961	64%	0.636	S	S	*	*			trans	-75.1	78.8	155.3	-177.8	0	0	0	0	107
410	V	36.9	Very low	37	Very low	86 Å²	86	120.6 Å²	120.6	52%	0.521	66%	0.661	S	S	.	*			trans	-123.3	141.5	175.9	175.4	0	0	0	0	107.5	N408 D414	N408-V410 HydrophobicContact CB-CB 4.3Å; N408-V410 HydrophobicContact CB-CG2 3.85Å; N408-V410 PolarHBondContact O-N 3.2Å; V410-D414 HydrophobicContact CG1-CB 4.08Å
411	N	33	Very low	35.9	Very low	123.5 Å²	123.5	119.6 Å²	119.6	66%	0.66	67%	0.666	S	S	*	*			trans	-65	151.9	-168.5	-76	-42.1	0	0	0	112.8	S413 D414	N411-S413 WeakPolarHBondContact CB-OG 3.42Å; N411-S413 PolarHBondContact O-N 3.36Å; N411-D414 PolarHBondContact O-N 2.95Å
412	K	35.5	Very low	35.2	Very low	219.5 Å²	219.5	123 Å²	123	95%	0.954	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	13	-177.9	-157.9	177.8	176.2	-177.4	0	114
413	S	42	Very low	34.8	Very low	89.5 Å²	89.5	123.6 Å²	123.6	63%	0.626	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	-27	177.4	44.2	0	0	0	0	113.2	N411 V415	N411-S413 WeakPolarHBondContact CB-OG 3.42Å; N411-S413 PolarHBondContact O-N 3.36Å; S413-V415 PolarHBondContact O-N 3.05Å
414	D	34.8	Very low	34.4	Very low	94.5 Å²	94.5	125 Å²	125	51%	0.505	71%	0.708	S	S	.	*			trans	-99.9	22.3	-157.2	-53	-11.7	0	0	0	113.2	V410 N411 V416	V410-D414 HydrophobicContact CG1-CB 4.08Å; N411-D414 PolarHBondContact O-N 2.95Å; D414-V416 VanDerWaalsContact C-N 3.29Å; D414-V416 PolarHBondContact O-N 3.08Å
415	V	33.3	Very low	34.3	Very low	122 Å²	122	125.1 Å²	125.1	74%	0.739	72%	0.716	S	S	*	*			trans	-75.3	86.8	170.6	-177.6	0	0	0	0	108.3	S413 V417	S413-V415 PolarHBondContact O-N 3.05Å; V415-V417 VanDerWaalsContact C-N 3.32Å; V415-V417 HydrophobicContact CG1-CG2 4.42Å; V415-V417 PolarHBondContact O-N 3.07Å
416	V	29.1	Very low	33.9	Very low	110.5 Å²	110.5	125.5 Å²	125.5	67%	0.67	72%	0.719	S	S	*	*			trans	-62.8	94.7	170.7	-179.3	0	0	0	0	108.8	D414 M418	D414-V416 VanDerWaalsContact C-N 3.29Å; D414-V416 PolarHBondContact O-N 3.08Å; V416-M418 HydrophobicContact CG1-CE 3.93Å; V416-M418 HydrophobicContact CG1-CG 4.26Å; V416-M418 HydrophobicContact CG1-SD 4.06Å; V416-M418 PolarHBondContact O-N 3.1Å; V416-M418 VanDerWaalsContact O-N 3.09Å
417	V	28.4	Very low	33.7	Very low	105 Å²	105	129.7 Å²	129.7	64%	0.636	74%	0.737	S	S	*	*			trans	-62.2	107.3	162.2	179.3	0	0	0	0	106.4	V415 N419	V415-V417 VanDerWaalsContact C-N 3.32Å; V415-V417 HydrophobicContact CG1-CG2 4.42Å; V415-V417 PolarHBondContact O-N 3.07Å; V417-N419 WeakPolarHBondContact CG1-OD1 3.39Å; V417-N419 PolarHBondContact O-N 3.19Å
418	M	31.1	Very low	33.2	Very low	166 Å²	166	126.8 Å²	126.8	82%	0.818	74%	0.74	S	S	*	*			trans	-69.6	77.8	173.2	-76.5	-74.7	-178.9	0	0	109.6	V416 P420	V416-M418 HydrophobicContact CG1-CE 3.93Å; V416-M418 HydrophobicContact CG1-CG 4.26Å; V416-M418 HydrophobicContact CG1-SD 4.06Å; V416-M418 PolarHBondContact O-N 3.1Å; V416-M418 VanDerWaalsContact O-N 3.09Å; M418-P420 VanDerWaalsContact O-CD 3.29Å; M418-P420 WeakPolarHBondContact O-CD 3.17Å
419	N	26.9	Very low	33.1	Very low	117 Å²	117	132.1 Å²	132.1	63%	0.626	75%	0.752	S	S	*	*			trans	-73.7	116.7	161.2	-78	-14.8	0	0	0	108.1	V417 S421	V417-N419 WeakPolarHBondContact CG1-OD1 3.39Å; V417-N419 PolarHBondContact O-N 3.19Å; N419-S421 WeakPolarHBondContact CB-OG 3.28Å; N419-S421 PolarHBondContact O-N 3.01Å
420	P	33	Very low	33.1	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	75%	0.745	S	S	*	*			trans	-84.8	62.2	164.9	35.5	-32.1	0	0	0	109.4	M418 V422	M418-P420 VanDerWaalsContact O-CD 3.29Å; M418-P420 WeakPolarHBondContact O-CD 3.17Å; P420-V422 PolarHBondContact O-N 3.29Å
421	S	31.6	Very low	32.9	Very low	88.5 Å²	88.5	140.3 Å²	140.3	62%	0.619	76%	0.763	S	S	*	*			trans	-81.3	113.8	173.7	-2.3	0	0	0	0	109.6	N419 G423	N419-S421 WeakPolarHBondContact CB-OG 3.28Å; N419-S421 PolarHBondContact O-N 3.01Å; S421-G423 PolarHBondContact O-N 3.39Å
422	V	32.8	Very low	33.1	Very low	152 Å²	152	141.4 Å²	141.4	92%	0.921	77%	0.767	S	S	*	*			trans	45.8	99	158	-171.2	0	0	0	0	115.3	P420	P420-V422 PolarHBondContact O-N 3.29Å
423	G	32.7	Very low	32.9	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	76%	0.76	S	S	*	*			trans	-165.8	100.5	170.2	0	0	0	0	0	110.9	S421	S421-G423 PolarHBondContact O-N 3.39Å
424	N	30.4	Very low	32.5	Very low	155.5 Å²	155.5	146.2 Å²	146.2	83%	0.832	77%	0.773	S	S	*	*			trans	-66.8	133.3	157.7	-67.1	-16.7	0	0	0	107.2
425	D	35.2	Very low	32.3	Very low	156.5 Å²	156.5	152.8 Å²	152.8	84%	0.837	79%	0.791	S	S	*	*				178.6	164.3	115.1	-88.2	-13.4	0	0	0	113.1
426	T	35.6	Very low	32.1	Very low	125 Å²	125	152 Å²	152	77%	0.767	79%	0.79	S	S	*	*			trans	-70	145.2	-163.9	48.6	0	0	0	0	116.8
427	F	32.6	Very low	32.6	Very low	204.5 Å²	204.5	153.7 Å²	153.7	90%	0.897	79%	0.794	S	S	*	*			trans	55.7	127.3	138.7	-107.8	-104.5	0	0	0	119.6
428	G	31.8	Very low	32.7	Very low	77.5 Å²	77.5	155.7 Å²	155.7	80%	0.799	80%	0.801	S	S	*	*			trans	179.1	104.3	162.9	0	0	0	0	0	114.5
429	R	32.6	Very low	33.1	Very low	229.5 Å²	229.5	153.5 Å²	153.5	87%	0.866	80%	0.798	S	S	*	*			trans	-79.4	134.8	166.4	-77.2	176.6	172.2	155.5	-3.1	110
430	H	35.3	Very low	33.4	Very low	179 Å²	179	154.7 Å²	154.7	83%	0.829	80%	0.804	S	S	*	*			trans	-150.8	126.8	136.7	-102.4	-31.2	0	0	0	112.7
431	R	33.7	Very low	33.8	Very low	237 Å²	237	157.1 Å²	157.1	89%	0.894	81%	0.81	S	S	*	*			trans	-79.6	133	159.6	-74.9	177.9	174.8	159.7	-3.6	108.4
432	I	37.6	Very low	33.9	Very low	145.5 Å²	145.5	160 Å²	160	75%	0.746	82%	0.819	S	S	*	*			trans	-128.8	120.2	161.7	-65.1	-177.3	0	0	0	109.1
433	H	30.5	Very low	34	Very low	173.5 Å²	173.5	158.5 Å²	158.5	80%	0.803	81%	0.81	S	S	*	*			trans	-74	137.6	164.2	-77.3	-96.9	0	0	0	109.8
434	R	34.6	Very low	34.4	Very low	238 Å²	238	163.2 Å²	163.2	90%	0.898	82%	0.817	S	S	*	*			trans	-134.3	129.6	146.5	-93.1	163.6	-178.8	-167.8	0.4	108.3
435	R	29.4	Very low	34.5	Very low	232.5 Å²	232.5	166.7 Å²	166.7	88%	0.877	82%	0.818	S	S	*	*			trans	150.6	127.9	133.2	-120.6	-175	-176.9	172.2	1.2	110.4
436	S	30	Very low	34.4	Very low	104 Å²	104	167.3 Å²	167.3	73%	0.727	81%	0.813	S	S	*	*			trans	-27.6	131.9	156.4	173.4	0	0	0	0	114.1
437	I	38.2	Very low	34.5	Very low	148 Å²	148	168.1 Å²	168.1	76%	0.759	82%	0.818	S	S	*	*			trans	-130.7	116.8	154.1	-60.7	179.7	0	0	0	106.6
438	N	31.8	Very low	34.6	Very low	146.5 Å²	146.5	163.5 Å²	163.5	78%	0.783	81%	0.811	S	S	*	*			trans	-101.1	130.7	157.3	-70.6	-1.2	0	0	0	106.8
439	T	38.5	Very low	34.8	Very low	120.5 Å²	120.5	165 Å²	165	74%	0.739	81%	0.81	S	S	*	*			trans	-154.5	124.1	152.1	41.1	0	0	0	0	107.6
440	D	34.5	Very low	34.7	Very low	142 Å²	142	159 Å²	159	76%	0.759	80%	0.803	S	S	*	*			trans	-28.3	144.5	156.5	-41.6	-70.8	0	0	0	114.9
441	D	39.9	Very low	34.7	Very low	173 Å²	173	157.6 Å²	157.6	93%	0.925	81%	0.808	S	S	*	*				-156.3	153.6	126.8	-117.1	-32.2	0	0	0	110.8
442	D	34.2	Very low	34.6	Very low	150 Å²	150	151.8 Å²	151.8	80%	0.802	80%	0.803	S	S	*	*			trans	-95.3	177.4	-170.9	-146.4	-18.5	0	0	0	112.3
443	V	35.9	Very low	34.3	Very low	120.5 Å²	120.5	150.4 Å²	150.4	73%	0.73	81%	0.806	S	S	*	*			trans	114.7	118.7	150.2	177	0	0	0	0	115.6
444	L	40.7	Very low	34.2	Very low	168 Å²	168	147.2 Å²	147.2	88%	0.88	80%	0.804	S	S	*	*			trans	142.4	136.3	130.6	-144.4	68.4	0	0	0	115
445	R	32.8	Very low	34	Very low	230 Å²	230	141 Å²	141	87%	0.868	80%	0.797	S	S	*	*			trans	-113.8	152.3	-171.1	-95.7	177.3	171.1	160.6	-2.4	112.4
446	K	33	Very low	34.1	Very low	168 Å²	168	137 Å²	137	73%	0.73	79%	0.792	S	S	*	*			trans	3.7	126.9	157.4	-58.5	172.4	177.4	177.6	0	115.6	D1081	K446-D1081 VanDerWaalsContact NZ-C 3.32Å; K446-D1081 PolarHBondContact NZ-O 3.25Å
447	T	37.6	Very low	34.1	Very low	142.5 Å²	142.5	139.2 Å²	139.2	87%	0.874	80%	0.795	S	S	*	*			trans	-143.2	148.5	136.8	25.8	0	0	0	0	111
448	S	34	Very low	33.7	Very low	107 Å²	107	139 Å²	139	75%	0.748	80%	0.796	S	S	*	*			trans	-57	153.4	171	43.9	0	0	0	0	114.5
449	S	35.8	Very low	33.6	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	78%	0.78	S	S	*	*				-179.2	156.9	54.2	44	0	0	0	0	112.4
450	S	31	Very low	33.4	Very low	103 Å²	103	132.9 Å²	132.9	72%	0.72	77%	0.768	S	S	*	*			trans	-23.2	129	166.5	55	0	0	0	0	118
451	T	35.1	Very low	33.5	Very low	150.5 Å²	150.5	130.2 Å²	130.2	92%	0.923	75%	0.753	S	S	*	*				-163.7	156.1	116.2	11.7	0	0	0	0	111
452	S	31.4	Very low	33.6	Very low	114 Å²	114	129.4 Å²	129.4	80%	0.797	74%	0.738	S	S	*	*			trans	-105.2	130	-172.1	49.1	0	0	0	0	112.6
453	S	32	Very low	34.5	Very low	116.5 Å²	116.5	124.2 Å²	124.2	82%	0.815	71%	0.712	S	S	*	*			trans	-161.7	135	150.5	47.9	0	0	0	0	113.1
454	S	28.5	Very low	35.7	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	70%	0.696	S	S	*	*			trans	-3.9	131.1	162.6	53.3	0	0	0	0	119.4
455	S	30.3	Very low	37.3	Very low	108.5 Å²	108.5	121.3 Å²	121.3	76%	0.759	69%	0.685	S	S	*	*				130.9	172	129.6	65.8	0	0	0	0	115.8
456	L	31	Very low	39.8	Very low	147.5 Å²	147.5	111.1 Å²	111.1	77%	0.772	65%	0.646	S	S	*	*			trans	44.3	107.1	179.2	-75.5	72	0	0	0	117.8
457	N	30.6	Very low	42.6	Very low	150 Å²	150	103.7 Å²	103.7	80%	0.802	62%	0.615	S	S	*	*				110.3	93.7	128.6	-70.6	-30.3	0	0	0	113.5	P459	N457-P459 WeakPolarHBondContact O-CD 3.21Å; N457-P459 WeakPolarHBondContact O-CG 3.17Å
458	N	28.7	Very low	45.3	Very low	144 Å²	144	97 Å²	97	77%	0.77	57%	0.574	S	S	*	*			trans	-95.7	102.6	172.6	-166.8	10.2	0	0	0	110.4	S460	N458-S460 VanDerWaalsContact C-N 3.31Å; N458-S460 PolarHBondContact O-N 3.41Å; N458-S460 PolarHBondContact OD1-OG 3Å
459	P	31.1	Very low	48.2	Very low	68 Å²	68	92 Å²	92	44%	0.442	54%	0.539	S	S	.	.			trans	-107.9	43.1	-164.7	39	-26.7	0	0	0	111	K406 N457 L461 Y462	K406-P459 PolarHBondContact NZ-O 2.68Å; N457-P459 WeakPolarHBondContact O-CD 3.21Å; N457-P459 WeakPolarHBondContact O-CG 3.17Å; P459-L461 PolarHBondContact O-N 2.78Å; P459-Y462 WeakPolarHBondContact O-CE2 3.41Å; P459-Y462 PolarHBondContact O-OH 2.91Å
460	S	32.8	Very low	51.1	Low	71 Å²	71	86.8 Å²	86.8	50%	0.497	50%	0.502	S	S	.	.			trans	-102.6	-5.8	-164.2	55.3	0	0	0	0	114.7	N458 Y462	N458-S460 VanDerWaalsContact C-N 3.31Å; N458-S460 PolarHBondContact O-N 3.41Å; N458-S460 PolarHBondContact OD1-OG 3Å; S460-Y462 WeakPolarHBondContact O-CD2 3.41Å; S460-Y462 PolarHBondContact O-N 2.86Å
461	L	36.2	Very low	54.2	Low	86 Å²	86	82 Å²	82	45%	0.45	47%	0.468	S	S	.	.			trans	-84.1	58.4	177.2	-147.3	76.9	0	0	0	111.7	L191 E203 E205 P459 T463	L191-L461 HydrophobicContact CD1-CD2 3.91Å; E203-L461 HydrophobicContact CB-CD2 3.98Å; E205-L461 HydrophobicContact CB-CD1 3.77Å; E205-L461 HydrophobicContact CB-CG 4.46Å; E205-L461 WeakPolarHBondContact OE2-CD1 3.35Å; P459-L461 PolarHBondContact O-N 2.78Å; L461-T463 PolarHBondContact O-N 3.45Å
462	Y	42.8	Very low	57.1	Low	154.5 Å²	154.5	74.8 Å²	74.8	61%	0.606	42%	0.424	S	S	*	.			trans	-73.4	108.1	177.2	-74.2	-86.6	0	0	0	110	Y399 K406 P459 S460 K464	Y399-Y462 AromaticContact CE2-CD1 3.74Å; Y399-Y462 HydrophobicContact CE2-CD1 3.74Å; Y399-Y462 HydrophobicContact CE2-CG 4.43Å; Y399-Y462 AromaticContact CZ-CD1 3.94Å; Y399-Y462 WeakPolarHBondContact OH-CD1 3.35Å; K406-Y462 PolarHBondContact NZ-OH 3.18Å; P459-Y462 WeakPolarHBondContact O-CE2 3.41Å; P459-Y462 PolarHBondContact O-OH 2.91Å; S460-Y462 WeakPolarHBondContact O-CD2 3.41Å; S460-Y462 PolarHBondContact O-N 2.86Å; Y462-K464 PolarHBondContact O-N 3.14Å; Y462-K464 VanDerWaalsContact O-N 3.16Å
463	T	52.4	Low	60.1	Low	41.5 Å²	41.5	69.4 Å²	69.4	26%	0.255	39%	0.387	S	S	.	.			trans	-64	112.2	174.3	52.1	0	0	0	0	110.1	Y399 L461	Y399-T463 VanDerWaalsContact CD2-OG1 3.28Å; Y399-T463 WeakPolarHBondContact CD2-OG1 3.47Å; L461-T463 PolarHBondContact O-N 3.45Å
464	K	62.7	Low	63	Low	87.5 Å²	87.5	64.5 Å²	64.5	38%	0.38	35%	0.354	S	S	.	.			trans	-62.6	146.7	179.8	-116.5	176.1	175.5	-177.5	0	110.2	N187 S189 E205 I364 Y462 F466	N187-K464 VanDerWaalsContact O-CD 3.29Å; N187-K464 WeakPolarHBondContact O-CD 3.46Å; N187-K464 PolarHBondContact O-NZ 3.41Å; S189-K464 WeakPolarHBondContact OG-CE 3.36Å; S189-K464 PolarHBondContact OG-NZ 3.49Å; E205-K464 IonicContact OE1-NZ 2.69Å; I364-K464 HydrophobicContact CG2-CB 3.43Å; I364-K464 VanDerWaalsContact CG2-CB 3.43Å; I364-K464 HydrophobicContact CG2-CD 3.75Å; I364-K464 HydrophobicContact CG2-CG 4.2Å; Y462-K464 PolarHBondContact O-N 3.14Å; Y462-K464 VanDerWaalsContact O-N 3.16Å; K464-F466 VanDerWaalsContact O-CD1 3.24Å; K464-F466 WeakPolarHBondContact O-CD1 3.25Å; K464-F466 PolarHBondContact O-N 3.45Å
465	H	74.7	Confident	65.9	Low	140.5 Å²	140.5	63.3 Å²	63.3	65%	0.65	33%	0.333	S	S	*	.			trans	-69.3	129.9	179.3	-171.2	79	0	0	0	110.6	D467	H465-D467 IonicContact CD2-OD1 3.79Å; H465-D467 IonicContact NE2-OD1 3.14Å
466	F	85.2	Confident	68.8	Low	15 Å²	15	66.7 Å²	66.7	7%	0.066	33%	0.329	C	S	.	.			trans	-126	139.5	175.1	52	-93.4	0	0	0	109.7	N319 A321 K464 Q469	N319-F466 CarbonylContact O-C 3.22Å; N319-F466 WeakPolarHBondContact O-CA 3.38Å; N319-F466 WeakPolarHBondContact O-CB 3.09Å; A321-F466 HydrophobicContact CB-CB 4.05Å; A321-F466 HydrophobicContact CB-CD1 3.8Å; A321-F466 HydrophobicContact CB-CD2 3.95Å; A321-F466 HydrophobicContact CB-CE1 4.21Å; A321-F466 HydrophobicContact CB-CE2 4.36Å; A321-F466 HydrophobicContact CB-CG 3.66Å; A321-F466 HydrophobicContact CB-CZ 4.48Å; K464-F466 VanDerWaalsContact O-CD1 3.24Å; K464-F466 WeakPolarHBondContact O-CD1 3.25Å; K464-F466 PolarHBondContact O-N 3.45Å; F466-Q469 HydrophobicContact CD2-CB 3.82Å; F466-Q469 HydrophobicContact CE2-CB 3.59Å; F466-Q469 HydrophobicContact CE2-CG 4.3Å; F466-Q469 HydrophobicContact CZ-CB 4.45Å
467	D	90.5	Very high	71.6	Confident	13.5 Å²	13.5	60.6 Å²	60.6	7%	0.072	30%	0.297	C	S	.	.	S	Bend	trans	-84.8	-28.2	-178.4	-52.8	-58.8	0	0	0	111.6	I318 N319 H465 I490 A495 L561	I318-D467 HydrophobicContact CG2-CB 4.31Å; N319-D467 WeakPolarHBondContact CA-OD2 3.16Å; N319-D467 WeakPolarHBondContact CB-OD2 3Å; N319-D467 PolarHBondContact N-OD2 2.61Å; N319-D467 PolarHBondContact ND2-OD2 2.99Å; N319-D467 PolarHBondContact O-N 2.9Å; H465-D467 IonicContact CD2-OD1 3.79Å; H465-D467 IonicContact NE2-OD1 3.14Å; D467-I490 HydrophobicContact CB-CD1 4.45Å; D467-A495 WeakPolarHBondContact O-CB 3.28Å; D467-L561 HydrophobicContact CB-CD2 3.85Å
468	V	94.2	Very high	74.3	Confident	0.5 Å²	0.5	58.6 Å²	58.6	0%	0.003	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.6	-178.9	176.5	0	0	0	0	110.1	I318 N319 L320 A321 L470 I490 A495 I521	I318-V468 HydrophobicContact CG2-CB 4.25Å; I318-V468 HydrophobicContact CG2-CG2 3.87Å; N319-V468 PolarHBondContact O-N 3.33Å; L320-V468 HydrophobicContact CD2-CB 3.83Å; L320-V468 HydrophobicContact CD2-CG1 3.85Å; A321-V468 PolarHBondContact N-O 2.89Å; V468-L470 HydrophobicContact CG1-CD2 4.08Å; V468-L470 HydrophobicContact CG1-CG 4.16Å; V468-I490 HydrophobicContact CG2-CD1 3.76Å; V468-A495 WeakPolarHBondContact CA-O 3.02Å; V468-A495 HydrophobicContact CG2-CB 4.39Å; V468-I521 HydrophobicContact CG1-CD1 3.8Å; V468-I521 HydrophobicContact CG2-CG2 4.02Å
469	Q	94.4	Very high	77.1	Confident	3 Å²	3	53.5 Å²	53.5	1%	0.014	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.6	171.7	-175.2	172.8	3.7	0	0	113.2	A321 T323 E367 F388 I392 F466 A495 V496 G497	A321-Q469 HydrophobicContact CB-CB 4.09Å; A321-Q469 HydrophobicContact CB-CG 3.86Å; A321-Q469 WeakPolarHBondContact O-CA 3.43Å; T323-Q469 PolarHBondContact OG1-NE2 3.28Å; E367-Q469 PolarHBondContact OE2-NE2 2.83Å; F388-Q469 HydrophobicContact CE1-CG 4.2Å; F388-Q469 HydrophobicContact CZ-CG 3.87Å; I392-Q469 HydrophobicContact CD1-CB 4.11Å; I392-Q469 HydrophobicContact CD1-CG 3.95Å; I392-Q469 VanDerWaalsContact CD1-OE1 3.24Å; I392-Q469 VanDerWaalsContact CG1-OE1 3.29Å; F466-Q469 HydrophobicContact CD2-CB 3.82Å; F466-Q469 HydrophobicContact CE2-CB 3.59Å; F466-Q469 HydrophobicContact CE2-CG 4.3Å; F466-Q469 HydrophobicContact CZ-CB 4.45Å; Q469-A495 PolarHBondContact N-O 2.8Å; Q469-A495 VanDerWaalsContact N-O 3.08Å; Q469-V496 VanDerWaalsContact O-CA 3.25Å; Q469-V496 WeakPolarHBondContact O-CA 3.25Å; Q469-G497 PolarHBondContact O-N 3.18Å
470	L	97	Very high	79.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140.2	-179	-53.6	176.5	0	0	0	111.5	A321 L322 T323 V468 G497 I499 I514 A517 I518 I521	A321-L470 PolarHBondContact O-N 3.41Å; L322-L470 HydrophobicContact CD2-CB 4.05Å; L322-L470 HydrophobicContact CD2-CD1 4.28Å; L322-L470 HydrophobicContact CD2-CG 4.5Å; T323-L470 PolarHBondContact N-O 3.12Å; V468-L470 HydrophobicContact CG1-CD2 4.08Å; V468-L470 HydrophobicContact CG1-CG 4.16Å; L470-G497 WeakPolarHBondContact CA-O 3.31Å; L470-I499 HydrophobicContact CD1-CD1 4.11Å; L470-I514 HydrophobicContact CD1-CB 4.41Å; L470-I514 HydrophobicContact CD1-CG1 4.23Å; L470-I514 HydrophobicContact CD1-CG2 3.85Å; L470-A517 HydrophobicContact CD2-CB 4.36Å; L470-I518 HydrophobicContact CD1-CG1 4.28Å; L470-I521 HydrophobicContact CD2-CD1 4.16Å
471	L	96.8	Very high	82.3	Confident	2 Å²	2	52.8 Å²	52.8	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.6	168.2	-174.5	67	0	0	0	110.1	T323 D325 W369 I375 T384 F388 G497 I498 I499	T323-L471 HydrophobicContact CG2-CD1 3.6Å; T323-L471 CarbonylContact O-C 3.6Å; T323-L471 WeakPolarHBondContact O-CA 3.05Å; D325-L471 HydrophobicContact CB-CD1 4.28Å; W369-L471 HydrophobicContact CH2-CD1 3.86Å; W369-L471 HydrophobicContact CH2-CD2 4.41Å; W369-L471 HydrophobicContact CZ2-CD1 4.42Å; W369-L471 HydrophobicContact CZ3-CD1 3.92Å; W369-L471 HydrophobicContact CZ3-CD2 4.45Å; I375-L471 HydrophobicContact CD1-CD2 3.74Å; T384-L471 HydrophobicContact CG2-CD2 4.3Å; F388-L471 HydrophobicContact CD1-CB 4.02Å; F388-L471 HydrophobicContact CD2-CB 4.28Å; F388-L471 HydrophobicContact CD2-CD2 4.29Å; F388-L471 HydrophobicContact CE1-CB 3.69Å; F388-L471 HydrophobicContact CE2-CB 3.99Å; F388-L471 HydrophobicContact CE2-CD1 4.12Å; F388-L471 HydrophobicContact CE2-CG 4.46Å; F388-L471 HydrophobicContact CG-CB 4.29Å; F388-L471 HydrophobicContact CG-CD2 4.49Å; F388-L471 HydrophobicContact CZ-CB 3.67Å; F388-L471 HydrophobicContact CZ-CD1 4.44Å; L471-G497 PolarHBondContact N-O 3.03Å; L471-I498 HydrophobicContact CB-CD1 3.74Å; L471-I498 HydrophobicContact CD2-CD1 3.97Å; L471-I498 HydrophobicContact CG-CD1 4.48Å; L471-I498 CarbonylContact O-C 3.58Å; L471-I498 WeakPolarHBondContact O-CA 3.02Å; L471-I499 PolarHBondContact O-N 2.81Å
472	L	96.3	Very high	84.9	Confident	0.5 Å²	0.5	50.5 Å²	50.5	0%	0.003	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.4	166	-72.4	73.2	0	0	0	108.3	L322 T323 D325 L328 Y342 L343 I499 V501 V510 I514	L322-L472 HydrophobicContact CD2-CD1 4.2Å; T323-L472 PolarHBondContact O-N 3.07Å; D325-L472 PolarHBondContact N-O 3.4Å; D325-L472 VanDerWaalsContact N-O 3.09Å; L328-L472 HydrophobicContact CD2-CB 3.72Å; Y342-L472 HydrophobicContact CE1-CD2 4.19Å; L343-L472 HydrophobicContact CD2-CD1 4.42Å; L343-L472 HydrophobicContact CD2-CD2 3.82Å; L472-I499 HydrophobicContact CG-CB 4.3Å; L472-V501 HydrophobicContact CB-CG2 4.1Å; L472-V501 HydrophobicContact CD2-CG2 4.22Å; L472-V501 HydrophobicContact CG-CG2 4.31Å; L472-V510 HydrophobicContact CD2-CG1 4.3Å; L472-I514 HydrophobicContact CD1-CD1 4.36Å; L472-I514 HydrophobicContact CD2-CD1 4.27Å
473	T	94.9	Very high	87.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.7	179.8	174.9	0	0	0	0	111.3	D325 R475 F477 I498 I499 V501	D325-T473 VanDerWaalsContact CG-OG1 3.22Å; D325-T473 WeakPolarHBondContact OD1-CA 3.46Å; D325-T473 VanDerWaalsContact OD2-CB 3.29Å; D325-T473 WeakPolarHBondContact OD2-CB 3.22Å; D325-T473 PolarHBondContact OD2-OG1 2.92Å; T473-R475 PolarHBondContact O-N 3.4Å; T473-R475 WeakPolarHBondContact OG1-CB 3.21Å; T473-R475 WeakPolarHBondContact OG1-CG 3.4Å; T473-R475 PolarHBondContact OG1-N 3.27Å; T473-R475 VanDerWaalsContact OG1-N 3.14Å; T473-F477 HydrophobicContact CG2-CE2 4Å; T473-F477 HydrophobicContact CG2-CZ 3.81Å; T473-I498 HydrophobicContact CG2-CG2 4.04Å; T473-I499 PolarHBondContact N-O 3.12Å; T473-V501 PolarHBondContact O-N 3.26Å
474	G	91.4	Very high	89.3	Confident	12 Å²	12	42.5 Å²	42.5	12%	0.124	21%	0.208	C	C	.	.			trans	-78	-5.2	174.5	0	0	0	0	0	113.7	H327 V501	H327-G474 VanDerWaalsContact CD2-C 3.49Å; G474-V501 WeakPolarHBondContact CA-O 3.31Å
475	R	90.8	Very high	90.8	Very high	83 Å²	83	38.4 Å²	38.4	31%	0.313	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-75.2	133.9	-171.1	-67.6	170.6	170.6	-110	5.8	110.5	D325 H327 D373 S377 T473 Q500	D325-R475 IonicContact OD2-NE 2.72Å; H327-R475 HydrophobicContact CB-CG 4.12Å; D373-R475 IonicContact OD2-CZ 2.71Å; D373-R475 VanDerWaalsContact OD2-CZ 3.32Å; D373-R475 IonicContact OD2-NE 2.94Å; D373-R475 PolarHBondContact OD2-NE 3.31Å; D373-R475 IonicContact OD2-NH2 2.98Å; D373-R475 PolarHBondContact OD2-NH2 3.27Å; S377-R475 PolarHBondContact OG-NE 3.24Å; S377-R475 PolarHBondContact OG-NH1 3.12Å; S377-R475 PolarHBondContact OG-NH2 3.47Å; T473-R475 PolarHBondContact O-N 3.4Å; T473-R475 WeakPolarHBondContact OG1-CB 3.21Å; T473-R475 WeakPolarHBondContact OG1-CG 3.4Å; T473-R475 PolarHBondContact OG1-N 3.27Å; T473-R475 VanDerWaalsContact OG1-N 3.14Å; R475-Q500 WeakPolarHBondContact O-CG 3.43Å; R475-Q500 PolarHBondContact O-OE1 3.06Å
476	R	90.1	Very high	91.7	Very high	179 Å²	179	31.7 Å²	31.7	68%	0.675	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-82.5	124.7	174.1	-65.4	-179.6	177.2	176	-2.4	110.7	N502	R476-N502 PolarHBondContact NH2-OD1 3.12Å
477	F	90.3	Very high	92	Very high	21 Å²	21	31.4 Å²	31.4	9%	0.092	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-88.2	159.9	174.1	-58.3	-67.7	0	0	0	111.8	N378 V379 I381 T384 T473 N479 I498 Q500	N378-F477 WeakPolarHBondContact O-CD1 3.49Å; N378-F477 WeakPolarHBondContact O-CE1 3.27Å; V379-F477 CarbonylContact O-C 3.44Å; V379-F477 VanDerWaalsContact O-CA 3.3Å; V379-F477 WeakPolarHBondContact O-CA 3.37Å; I381-F477 HydrophobicContact CB-CB 4.23Å; I381-F477 HydrophobicContact CB-CD1 3.99Å; I381-F477 HydrophobicContact CB-CD2 3.78Å; I381-F477 HydrophobicContact CB-CE1 4.29Å; I381-F477 HydrophobicContact CB-CE2 4.11Å; I381-F477 HydrophobicContact CB-CG 3.72Å; I381-F477 HydrophobicContact CB-CZ 4.34Å; I381-F477 HydrophobicContact CD1-CD2 3.79Å; I381-F477 HydrophobicContact CD1-CE2 3.82Å; I381-F477 HydrophobicContact CG1-CD1 4.46Å; I381-F477 HydrophobicContact CG1-CD2 3.68Å; I381-F477 HydrophobicContact CG1-CE1 4.36Å; I381-F477 HydrophobicContact CG1-CE2 3.57Å; I381-F477 HydrophobicContact CG1-CG 4.14Å; I381-F477 HydrophobicContact CG1-CZ 3.92Å; T384-F477 HydrophobicContact CG2-CE1 4.37Å; T384-F477 HydrophobicContact CG2-CZ 4.3Å; T473-F477 HydrophobicContact CG2-CE2 4Å; T473-F477 HydrophobicContact CG2-CZ 3.81Å; F477-N479 VanDerWaalsContact C-N 3.35Å; F477-I498 HydrophobicContact CE2-CG2 4.16Å; F477-I498 HydrophobicContact CZ-CG2 4.01Å; F477-Q500 HydrophobicContact CD2-CB 4.2Å; F477-Q500 HydrophobicContact CD2-CG 4.49Å; F477-Q500 VanDerWaalsContact CD2-OE1 3.28Å; F477-Q500 HydrophobicContact CE2-CB 4.18Å
478	T	88.1	Confident	92	Very high	108 Å²	108	31 Å²	31	66%	0.663	16%	0.157	S	C	*	.	S	Bend	trans	-82.8	-14.1	171	39.7	0	0	0	0	113.4	V379	V379-T478 HydrophobicContact CG1-CG2 3.55Å; V379-T478 PolarHBondContact O-N 3.29Å; V379-T478 PolarHBondContact O-OG1 2.9Å; V379-T478 VanDerWaalsContact O-OG1 3.1Å
479	N	86.8	Confident	91.9	Very high	37 Å²	37	31 Å²	31	20%	0.198	16%	0.157	C	C	.	.	S	Bend	trans	-74.7	137	173.5	-57.7	109.8	0	0	0	109.5	L289 S380 I381 F477 V481	L289-N479 HydrophobicContact CD2-CB 3.97Å; S380-N479 WeakPolarHBondContact CA-OD1 3.31Å; S380-N479 PolarHBondContact OG-OD1 2.84Å; I381-N479 HydrophobicContact CG2-CB 4.05Å; I381-N479 PolarHBondContact N-OD1 3.33Å; F477-N479 VanDerWaalsContact C-N 3.35Å; N479-V481 HydrophobicContact CB-CG2 3.95Å; N479-V481 PolarHBondContact O-N 2.69Å
480	P	85.9	Confident	91.8	Very high	106 Å²	106	30.9 Å²	30.9	69%	0.688	16%	0.156	S	C	*	.	S	Bend	trans	-78.5	53	-179.9	32	-34.2	0	0	0	112.2	V287	V287-P480 HydrophobicContact CG1-CG 3.93Å
481	V	88.1	Confident	91.3	Very high	17.5 Å²	17.5	33 Å²	33	11%	0.106	17%	0.171	C	C	.	.			trans	-137.2	146.7	177.9	-64	0	0	0	0	111	V287 L289 I381 N479	V287-V481 HydrophobicContact CB-CG1 3.59Å; V287-V481 HydrophobicContact CG1-CG1 3.55Å; V287-V481 HydrophobicContact CG2-CG1 3.98Å; L289-V481 HydrophobicContact CD1-CG1 4.22Å; L289-V481 HydrophobicContact CD1-CG2 4.12Å; L289-V481 HydrophobicContact CD2-CG1 4Å; L289-V481 HydrophobicContact CD2-CG2 4.16Å; L289-V481 HydrophobicContact CG-CG1 4.22Å; I381-V481 HydrophobicContact CD1-CG2 4.02Å; I381-V481 HydrophobicContact CG2-CG2 3.79Å; N479-V481 HydrophobicContact CB-CG2 3.95Å; N479-V481 PolarHBondContact O-N 2.69Å
482	E	90.2	Very high	90.8	Very high	38 Å²	38	33.4 Å²	33.4	18%	0.178	17%	0.173	C	C	.	.	S	Bend	trans	-98	-12.5	179.5	-60.3	179.2	132.6	0	0	112.4	K281 Q500 H509 L513	K281-E482 WeakPolarHBondContact CE-OE1 3.34Å; K281-E482 IonicContact NZ-OE1 3.43Å; K281-E482 PolarHBondContact NZ-OE1 3.13Å; E482-Q500 WeakPolarHBondContact O-CB 3.27Å; E482-Q500 PolarHBondContact O-N 2.92Å; E482-H509 IonicContact OE1-NE2 3.34Å; E482-H509 PolarHBondContact OE1-NE2 3.04Å; E482-H509 IonicContact OE2-CE1 2.7Å; E482-H509 PolarHBondContact OE2-CE1 3Å; E482-H509 VanDerWaalsContact OE2-CE1 3.24Å; E482-H509 IonicContact OE2-NE2 3.87Å; E482-H509 PolarHBondContact OE2-NE2 2.76Å; E482-L513 HydrophobicContact CB-CD1 3.93Å; E482-L513 HydrophobicContact CB-CD2 3.6Å; E482-L513 HydrophobicContact CB-CG 4.45Å
483	Y	93.5	Very high	90.1	Very high	17 Å²	17	36.4 Å²	36.4	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.8	173.6	75.1	-77.2	0	0	0	111.5	I283 I498 L513 L516 A517 E520	I283-Y483 HydrophobicContact CG2-CD1 4.49Å; I283-Y483 HydrophobicContact CG2-CE1 3.98Å; Y483-I498 CarbonylContact C-O 3.51Å; Y483-I498 VanDerWaalsContact CA-O 3.25Å; Y483-I498 WeakPolarHBondContact CA-O 3.39Å; Y483-L513 HydrophobicContact CD1-CD2 3.67Å; Y483-L513 HydrophobicContact CE1-CD2 4.41Å; Y483-L513 HydrophobicContact CG-CD2 4.43Å; Y483-L516 HydrophobicContact CE1-CB 4.15Å; Y483-L516 HydrophobicContact CE1-CD1 4.07Å; Y483-L516 HydrophobicContact CE2-CB 4.12Å; Y483-A517 HydrophobicContact CD2-CB 4.04Å; Y483-E520 VanDerWaalsContact CE2-OE1 3.32Å; Y483-E520 WeakPolarHBondContact CE2-OE1 3.31Å; Y483-E520 PolarHBondContact OH-OE1 3.22Å
484	I	93.3	Very high	89.8	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.7	161.6	-167.8	175.7	0	0	0	108.6	L289 V291 I381 L385 G497 I498	L289-I484 HydrophobicContact CD1-CD1 3.68Å; L289-I484 HydrophobicContact CD1-CG1 4.15Å; V291-I484 HydrophobicContact CG1-CD1 4.47Å; I381-I484 HydrophobicContact CD1-CB 4.1Å; I381-I484 HydrophobicContact CD1-CG2 3.77Å; I381-I484 HydrophobicContact CG1-CB 4.42Å; I381-I484 HydrophobicContact CG1-CG2 3.68Å; I381-I484 HydrophobicContact CG2-CG2 4.35Å; L385-I484 HydrophobicContact CB-CG2 4.13Å; L385-I484 HydrophobicContact CD1-CG2 4.4Å; L385-I484 HydrophobicContact CD2-CD1 3.83Å; L385-I484 HydrophobicContact CD2-CG1 4.12Å; L385-I484 HydrophobicContact CD2-CG2 4.08Å; L385-I484 HydrophobicContact CG-CG2 4.44Å; I484-G497 CarbonylContact O-C 3.51Å; I484-G497 WeakPolarHBondContact O-CA 3.25Å; I484-I498 HydrophobicContact CG2-CB 4.06Å; I484-I498 HydrophobicContact CG2-CG1 4.14Å; I484-I498 PolarHBondContact N-O 2.94Å; I484-I498 PolarHBondContact O-N 3.17Å
485	A	94.4	Very high	89.9	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.6	173.1	0	0	0	0	0	109.8	P487 A517 E520 I521	A485-P487 WeakPolarHBondContact O-CD 3.45Å; A485-A517 HydrophobicContact CB-CB 4.01Å; A485-E520 HydrophobicContact CB-CB 4.35Å; A485-I521 HydrophobicContact CB-CD1 4.19Å; A485-I521 HydrophobicContact CB-CG1 4.02Å
486	I	93.6	Very high	90.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.173	C	C	.	.			trans	-81.7	114.4	174.1	-58.4	-168.5	0	0	0	108.2	W293 L385 S489 R494 V496 I521 G586 L616	W293-I486 HydrophobicContact CE3-CG2 4.4Å; W293-I486 HydrophobicContact CH2-CB 4.08Å; W293-I486 HydrophobicContact CH2-CD1 3.97Å; W293-I486 HydrophobicContact CH2-CG1 3.66Å; W293-I486 HydrophobicContact CH2-CG2 3.73Å; W293-I486 HydrophobicContact CZ2-CB 4.49Å; W293-I486 HydrophobicContact CZ2-CG1 4.14Å; W293-I486 HydrophobicContact CZ2-CG2 4.44Å; W293-I486 HydrophobicContact CZ3-CG1 4.47Å; W293-I486 HydrophobicContact CZ3-CG2 3.7Å; L385-I486 HydrophobicContact CD1-CG1 4.27Å; L385-I486 HydrophobicContact CD2-CG1 4.1Å; I486-S489 WeakPolarHBondContact O-CB 3.29Å; I486-S489 PolarHBondContact O-OG 2.88Å; I486-R494 WeakPolarHBondContact CB-O 3.21Å; I486-R494 HydrophobicContact CD1-CB 4.28Å; I486-R494 WeakPolarHBondContact CD1-O 3.27Å; I486-V496 HydrophobicContact CD1-CG2 3.69Å; I486-V496 HydrophobicContact CG1-CG2 4.13Å; I486-V496 PolarHBondContact N-O 3.04Å; I486-I521 WeakPolarHBondContact O-CG1 3.31Å; I486-G586 WeakPolarHBondContact CG2-O 3.42Å; I486-L616 HydrophobicContact CD1-CD1 3.88Å; I486-L616 HydrophobicContact CD1-CD2 4.13Å
487	P	92.1	Very high	90.3	Very high	10 Å²	10	23.6 Å²	23.6	7%	0.065	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	157.7	-175.6	31	-35.9	0	0	0	112	W293 A485 S489 E520 K525 G586	W293-P487 HydrophobicContact CB-CG 3.86Å; W293-P487 HydrophobicContact CD2-CG 3.83Å; W293-P487 VanDerWaalsContact CE2-CD 3.49Å; W293-P487 HydrophobicContact CE3-CG 4.47Å; W293-P487 HydrophobicContact CG-CG 3.52Å; A485-P487 WeakPolarHBondContact O-CD 3.45Å; P487-S489 PolarHBondContact O-N 3.11Å; P487-E520 WeakPolarHBondContact CA-O 3.3Å; P487-K525 HydrophobicContact CB-CB 4.47Å; P487-G586 WeakPolarHBondContact O-CA 3.33Å
488	D	90.4	Very high	90.6	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.027	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	9.6	174.9	-52	-21.7	0	0	0	115.5	T296 I490 E520 I521 G523 S526 M557 R585	T296-D488 WeakPolarHBondContact CB-OD2 3.46Å; T296-D488 PolarHBondContact N-OD2 3.09Å; T296-D488 WeakPolarHBondContact OG1-CB 3.43Å; T296-D488 VanDerWaalsContact OG1-CG 3.28Å; T296-D488 PolarHBondContact OG1-OD2 3.19Å; D488-I490 PolarHBondContact O-N 2.83Å; D488-E520 PolarHBondContact N-O 3.25Å; D488-I521 CarbonylContact C-O 3.56Å; D488-G523 WeakPolarHBondContact OD1-CA 3.35Å; D488-S526 PolarHBondContact OD1-N 2.89Å; D488-S526 PolarHBondContact OD1-OG 2.85Å; D488-S526 PolarHBondContact OD2-OG 3.34Å; D488-M557 HydrophobicContact CB-CE 3.79Å; D488-M557 HydrophobicContact CB-SD 4.37Å; D488-R585 PolarHBondContact O-NH1 2.9Å
489	S	91.6	Very high	91	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.			trans	-93.1	5.2	-163.4	67	0	0	0	0	115	I486 P487 T492 R494 A495 I521	I486-S489 WeakPolarHBondContact O-CB 3.29Å; I486-S489 PolarHBondContact O-OG 2.88Å; P487-S489 PolarHBondContact O-N 3.11Å; S489-T492 VanDerWaalsContact O-CB 3.26Å; S489-T492 WeakPolarHBondContact O-CB 3.44Å; S489-T492 VanDerWaalsContact O-CG2 3.29Å; S489-T492 WeakPolarHBondContact O-CG2 3.21Å; S489-T492 PolarHBondContact O-N 3.32Å; S489-T492 PolarHBondContact O-OG1 2.8Å; S489-R494 PolarHBondContact OG-O 3Å; S489-A495 WeakPolarHBondContact O-CB 3.31Å; S489-A495 WeakPolarHBondContact OG-CA 3.23Å; S489-I521 PolarHBondContact N-O 3.22Å; S489-I521 VanDerWaalsContact N-O 3.13Å
490	I	91.4	Very high	91.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	145.5	174.6	-165.9	66.9	0	0	0	111.5	D467 V468 D488 T492 I521 L522 M557 A558 L561 R585	D467-I490 HydrophobicContact CB-CD1 4.45Å; V468-I490 HydrophobicContact CG2-CD1 3.76Å; D488-I490 PolarHBondContact O-N 2.83Å; I490-T492 PolarHBondContact O-N 3.14Å; I490-T492 VanDerWaalsContact O-N 3.11Å; I490-I521 HydrophobicContact CB-CG2 4.11Å; I490-I521 WeakPolarHBondContact CB-O 3.36Å; I490-I521 HydrophobicContact CD1-CG2 4.17Å; I490-I521 PolarHBondContact N-O 2.96Å; I490-L522 HydrophobicContact CB-CD2 4.34Å; I490-L522 HydrophobicContact CD1-CD2 4.16Å; I490-L522 HydrophobicContact CG1-CD2 3.91Å; I490-M557 HydrophobicContact CG2-CG 3.77Å; I490-M557 HydrophobicContact CG2-SD 4.2Å; I490-A558 HydrophobicContact CG2-CB 4.42Å; I490-L561 HydrophobicContact CD1-CD1 4.14Å; I490-L561 HydrophobicContact CD1-CD2 4.2Å; I490-L561 HydrophobicContact CG1-CD1 3.92Å; I490-L561 HydrophobicContact CG1-CD2 4.41Å; I490-L561 HydrophobicContact CG1-CG 4.35Å; I490-R585 PolarHBondContact O-NH1 2.71Å; I490-R585 VanDerWaalsContact O-NH1 3.09Å; I490-R585 PolarHBondContact O-NH2 3.1Å
491	C	86.9	Confident	91.7	Very high	45.5 Å²	45.5	12.4 Å²	12.4	31%	0.307	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	1.5	-172	-50.4	0	0	0	0	115.3	M557 C560	C491-M557 PolarHBondContact SG-O 2.99Å; C491-M557 VanDerWaalsContact SG-O 3.38Å; C491-C560 VanDerWaalsContact CA-SG 3.55Å; C491-C560 HydrophobicContact CB-CB 3.78Å; C491-C560 WeakPolarHBondContact CB-SG 3.16Å; C491-C560 WeakPolarHBondContact SG-CB 3.33Å; C491-C560 CovalentContact SG-SG 2.03Å; C491-C560 PolarHBondContact SG-SG 3.42Å
492	T	86.2	Confident	91.6	Very high	9 Å²	9	13.2 Å²	13.2	6%	0.055	7%	0.074	C	C	.	.	S	Bend	trans	-98.6	162.1	175.9	80.1	0	0	0	0	112	S489 I490 R494 A495 D576 R585	S489-T492 VanDerWaalsContact O-CB 3.26Å; S489-T492 WeakPolarHBondContact O-CB 3.44Å; S489-T492 VanDerWaalsContact O-CG2 3.29Å; S489-T492 WeakPolarHBondContact O-CG2 3.21Å; S489-T492 PolarHBondContact O-N 3.32Å; S489-T492 PolarHBondContact O-OG1 2.8Å; I490-T492 PolarHBondContact O-N 3.14Å; I490-T492 VanDerWaalsContact O-N 3.11Å; T492-R494 PolarHBondContact O-N 2.32Å; T492-R494 VanDerWaalsContact O-N 3.11Å; T492-R494 WeakPolarHBondContact OG1-CA 3.4Å; T492-R494 PolarHBondContact OG1-N 3.05Å; T492-R494 VanDerWaalsContact OG1-N 3.08Å; T492-A495 PolarHBondContact O-N 3.33Å; T492-A495 PolarHBondContact OG1-N 2.99Å; T492-D576 HydrophobicContact CG2-CB 4.31Å; T492-D576 VanDerWaalsContact CG2-OD2 3.28Å; T492-D576 WeakPolarHBondContact CG2-OD2 3.29Å; T492-R585 HydrophobicContact CG2-CB 4.38Å; T492-R585 VanDerWaalsContact CG2-NH2 3.34Å
493	P	82.6	Confident	90.9	Very high	65 Å²	65	15.9 Å²	15.9	42%	0.422	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.4	168.8	1.2	-0.3	0	0	0	114.6	R396	R396-P493 PolarHBondContact NH1-O 2.72Å
494	R	88.9	Confident	90.2	Very high	5.5 Å²	5.5	20.6 Å²	20.6	2%	0.021	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	12	-173.6	-64.3	172.8	-89.3	113.5	-9.3	113.5	I486 S489 T492 V496 D576 R585 G586 E587 T614	I486-R494 WeakPolarHBondContact CB-O 3.21Å; I486-R494 HydrophobicContact CD1-CB 4.28Å; I486-R494 WeakPolarHBondContact CD1-O 3.27Å; S489-R494 PolarHBondContact OG-O 3Å; T492-R494 PolarHBondContact O-N 2.32Å; T492-R494 VanDerWaalsContact O-N 3.11Å; T492-R494 WeakPolarHBondContact OG1-CA 3.4Å; T492-R494 PolarHBondContact OG1-N 3.05Å; T492-R494 VanDerWaalsContact OG1-N 3.08Å; R494-V496 VanDerWaalsContact C-N 3.25Å; R494-V496 PolarHBondContact O-N 2.87Å; R494-D576 PolarHBondContact NH2-O 3.33Å; R494-D576 VanDerWaalsContact NH2-O 3.14Å; R494-R585 PolarHBondContact NH1-O 3.1Å; R494-R585 PolarHBondContact NH2-O 2.97Å; R494-G586 PolarHBondContact NH1-O 3.12Å; R494-E587 IonicContact CZ-OE1 3.13Å; R494-E587 IonicContact CZ-OE2 3.34Å; R494-E587 VanDerWaalsContact NE-CG 3.26Å; R494-E587 IonicContact NE-OE1 3.29Å; R494-E587 PolarHBondContact NE-OE1 2.97Å; R494-E587 VanDerWaalsContact NH1-CG 3.31Å; R494-E587 IonicContact NH1-OE1 3.4Å; R494-E587 PolarHBondContact NH1-OE1 3.26Å; R494-E587 VanDerWaalsContact NH1-OE1 3.12Å; R494-E587 IonicContact NH1-OE2 3.3Å; R494-E587 PolarHBondContact NH1-OE2 3.05Å; R494-E587 IonicContact NH2-OE1 3.51Å; R494-E587 PolarHBondContact NH2-OE1 2.78Å; R494-E587 IonicContact NH2-OE2 2.59Å; R494-E587 PolarHBondContact NH2-OE2 3.37Å; R494-E587 VanDerWaalsContact NH2-OE2 3.13Å; R494-T614 VanDerWaalsContact CD-O 3.31Å; R494-T614 WeakPolarHBondContact CD-O 3.27Å
495	A	92.8	Very high	89.3	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.			trans	-66	71.8	172.3	0	0	0	0	0	113.3	D467 V468 Q469 S489 T492 I521	D467-A495 WeakPolarHBondContact O-CB 3.28Å; V468-A495 WeakPolarHBondContact CA-O 3.02Å; V468-A495 HydrophobicContact CG2-CB 4.39Å; Q469-A495 PolarHBondContact N-O 2.8Å; Q469-A495 VanDerWaalsContact N-O 3.08Å; S489-A495 WeakPolarHBondContact O-CB 3.31Å; S489-A495 WeakPolarHBondContact OG-CA 3.23Å; T492-A495 PolarHBondContact O-N 3.33Å; T492-A495 PolarHBondContact OG1-N 2.99Å; A495-I521 HydrophobicContact CB-CG2 3.94Å
496	V	94.5	Very high	88.7	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.5	-172.4	-54.5	0	0	0	0	113.3	L385 A389 I392 Q469 I486 R494	L385-V496 HydrophobicContact CD1-CG2 4.05Å; A389-V496 HydrophobicContact CB-CG2 4.19Å; I392-V496 HydrophobicContact CD1-CB 4.32Å; I392-V496 HydrophobicContact CD1-CG1 3.54Å; Q469-V496 VanDerWaalsContact O-CA 3.25Å; Q469-V496 WeakPolarHBondContact O-CA 3.25Å; I486-V496 HydrophobicContact CD1-CG2 3.69Å; I486-V496 HydrophobicContact CG1-CG2 4.13Å; I486-V496 PolarHBondContact N-O 3.04Å; R494-V496 VanDerWaalsContact C-N 3.25Å; R494-V496 PolarHBondContact O-N 2.87Å
497	G	95.6	Very high	88.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.5	176.9	0	0	0	0	0	113.9	Q469 L470 L471 I484	Q469-G497 PolarHBondContact O-N 3.18Å; L470-G497 WeakPolarHBondContact CA-O 3.31Å; L471-G497 PolarHBondContact N-O 3.03Å; I484-G497 CarbonylContact O-C 3.51Å; I484-G497 WeakPolarHBondContact O-CA 3.25Å
498	I	96.1	Very high	88.3	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.1	177.5	-45.6	-62.1	0	0	0	108.5	I381 T384 L385 F388 L471 T473 F477 Y483 I484	I381-I498 HydrophobicContact CD1-CB 4.42Å; I381-I498 HydrophobicContact CG1-CB 4.2Å; I381-I498 HydrophobicContact CG1-CG2 4.23Å; T384-I498 HydrophobicContact CG2-CD1 4.39Å; T384-I498 HydrophobicContact CG2-CG2 4.48Å; L385-I498 HydrophobicContact CB-CG1 4Å; L385-I498 HydrophobicContact CD1-CD1 4.42Å; L385-I498 HydrophobicContact CD1-CG1 4.05Å; F388-I498 HydrophobicContact CB-CD1 3.85Å; F388-I498 HydrophobicContact CD1-CD1 3.7Å; F388-I498 HydrophobicContact CG-CD1 3.98Å; L471-I498 HydrophobicContact CB-CD1 3.74Å; L471-I498 HydrophobicContact CD2-CD1 3.97Å; L471-I498 HydrophobicContact CG-CD1 4.48Å; L471-I498 CarbonylContact O-C 3.58Å; L471-I498 WeakPolarHBondContact O-CA 3.02Å; T473-I498 HydrophobicContact CG2-CG2 4.04Å; F477-I498 HydrophobicContact CE2-CG2 4.16Å; F477-I498 HydrophobicContact CZ-CG2 4.01Å; Y483-I498 CarbonylContact C-O 3.51Å; Y483-I498 VanDerWaalsContact CA-O 3.25Å; Y483-I498 WeakPolarHBondContact CA-O 3.39Å; I484-I498 HydrophobicContact CG2-CB 4.06Å; I484-I498 HydrophobicContact CG2-CG1 4.14Å; I484-I498 PolarHBondContact N-O 2.94Å; I484-I498 PolarHBondContact O-N 3.17Å
499	I	95.6	Very high	88.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.9	177.2	-54.4	-125.4	0	0	0	108.5	L470 L471 L472 T473 V510 L513 I514 A517	L470-I499 HydrophobicContact CD1-CD1 4.11Å; L471-I499 PolarHBondContact O-N 2.81Å; L472-I499 HydrophobicContact CG-CB 4.3Å; T473-I499 PolarHBondContact N-O 3.12Å; I499-V510 HydrophobicContact CG2-CG1 4.29Å; I499-L513 HydrophobicContact CD1-CB 4.47Å; I499-L513 HydrophobicContact CG2-CB 3.91Å; I499-L513 HydrophobicContact CG2-CD1 4.13Å; I499-I514 HydrophobicContact CD1-CB 4.07Å; I499-I514 HydrophobicContact CD1-CG1 3.76Å; I499-I514 HydrophobicContact CG1-CG1 3.88Å; I499-A517 HydrophobicContact CD1-CB 4.07Å
500	Q	94.1	Very high	88.4	Confident	32 Å²	32	26 Å²	26	15%	0.15	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121	168.7	-177	175	-68.1	0	0	108.8	R475 F477 E482	R475-Q500 WeakPolarHBondContact O-CG 3.43Å; R475-Q500 PolarHBondContact O-OE1 3.06Å; F477-Q500 HydrophobicContact CD2-CB 4.2Å; F477-Q500 HydrophobicContact CD2-CG 4.49Å; F477-Q500 VanDerWaalsContact CD2-OE1 3.28Å; F477-Q500 HydrophobicContact CE2-CB 4.18Å; E482-Q500 WeakPolarHBondContact O-CB 3.27Å; E482-Q500 PolarHBondContact O-N 2.92Å
501	V	93.2	Very high	88.5	Confident	4.5 Å²	4.5	26 Å²	26	3%	0.027	15%	0.147	C	C	.	.			trans	-100	134.5	171.1	177.4	0	0	0	0	108	L328 Y342 L472 T473 G474 V510	L328-V501 HydrophobicContact CD1-CB 4.07Å; L328-V501 HydrophobicContact CD1-CG1 3.8Å; L328-V501 HydrophobicContact CD2-CB 4.04Å; L328-V501 HydrophobicContact CD2-CG1 4.39Å; L328-V501 HydrophobicContact CD2-CG2 3.81Å; Y342-V501 WeakPolarHBondContact OH-CG1 3.31Å; L472-V501 HydrophobicContact CB-CG2 4.1Å; L472-V501 HydrophobicContact CD2-CG2 4.22Å; L472-V501 HydrophobicContact CG-CG2 4.31Å; T473-V501 PolarHBondContact O-N 3.26Å; G474-V501 WeakPolarHBondContact CA-O 3.31Å; V501-V510 HydrophobicContact CG1-CG2 4.23Å; V501-V510 HydrophobicContact CG2-CG1 3.93Å; V501-V510 HydrophobicContact CG2-CG2 4.27Å
502	N	87.3	Confident	88.7	Confident	33.5 Å²	33.5	24.3 Å²	24.3	18%	0.179	13%	0.134	C	C	.	.			trans	-121.4	122.4	174.4	179	48.1	0	0	0	108.2	R476 T504 D505	R476-N502 PolarHBondContact NH2-OD1 3.12Å; N502-T504 PolarHBondContact ND2-OG1 3.25Å; N502-T504 PolarHBondContact O-N 2.9Å; N502-D505 HydrophobicContact CB-CB 4.5Å; N502-D505 PolarHBondContact ND2-OD1 3.29Å; N502-D505 WeakPolarHBondContact O-CB 3.36Å; N502-D505 PolarHBondContact O-N 3.06Å
503	N	75.6	Confident	89.1	Confident	94.5 Å²	94.5	23.9 Å²	23.9	51%	0.505	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.8	-166.4	-65.9	18.5	0	0	0	115.4	S331	S331-N503 WeakPolarHBondContact CB-ND2 3.32Å; S331-N503 PolarHBondContact OG-ND2 3.1Å
504	T	77.4	Confident	89.7	Confident	117 Å²	117	20.8 Å²	20.8	72%	0.718	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.2	170.3	53.4	0	0	0	0	113.1	N502	N502-T504 PolarHBondContact ND2-OG1 3.25Å; N502-T504 PolarHBondContact O-N 2.9Å
505	D	75.3	Confident	90	Very high	37.5 Å²	37.5	20.5 Å²	20.5	20%	0.201	11%	0.111	C	C	.	.	S	Bend	trans	-88.3	142.6	-175.6	-59.7	14.3	0	0	0	109.6	K281 N502 H509	K281-D505 IonicContact NZ-OD2 2.74Å; K281-D505 PolarHBondContact NZ-OD2 3Å; N502-D505 HydrophobicContact CB-CB 4.5Å; N502-D505 PolarHBondContact ND2-OD1 3.29Å; N502-D505 WeakPolarHBondContact O-CB 3.36Å; N502-D505 PolarHBondContact O-N 3.06Å; D505-H509 HydrophobicContact CB-CB 4.39Å; D505-H509 IonicContact OD2-CD2 3.37Å; D505-H509 PolarHBondContact OD2-CD2 3.15Å; D505-H509 IonicContact OD2-NE2 3.14Å
506	M	81.1	Confident	90.1	Very high	48 Å²	48	20.9 Å²	20.9	24%	0.236	11%	0.113	C	C	.	.			trans	-66.9	146.3	178.8	-65.8	-61.9	-51.7	0	0	111.6	F276 Y508 H509	F276-M506 HydrophobicContact CE2-CE 4.12Å; F276-M506 HydrophobicContact CE2-SD 4.4Å; F276-M506 HydrophobicContact CZ-CE 3.63Å; F276-M506 HydrophobicContact CZ-SD 4.4Å; M506-Y508 PolarHBondContact O-N 2.99Å; M506-H509 WeakPolarHBondContact O-CB 3.37Å; M506-H509 PolarHBondContact O-N 3.22Å
507	D	88.6	Confident	90.1	Very high	31 Å²	31	20.9 Å²	20.9	17%	0.166	11%	0.112	C	C	.	.	H	α-helix	trans	-43.5	-37.6	173.9	-62	27.2	0	0	0	113.3	N345 V346 H509 V510 S511	N345-D507 PolarHBondContact ND2-OD2 3.35Å; V346-D507 HydrophobicContact CG2-CB 4.05Å; D507-H509 VanDerWaalsContact C-N 3.33Å; D507-H509 PolarHBondContact O-N 2.63Å; D507-V510 PolarHBondContact O-N 2.78Å; D507-S511 PolarHBondContact O-N 3.17Å
508	Y	89.4	Confident	90.2	Very high	13.5 Å²	13.5	20.9 Å²	20.9	5%	0.053	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-29.9	178.3	-176.3	-122.9	0	0	0	114.3	I248 T255 H278 Q349 K352 M506 V510 S511 R512	I248-Y508 HydrophobicContact CD1-CD2 3.53Å; I248-Y508 HydrophobicContact CD1-CE2 3.45Å; I248-Y508 VanDerWaalsContact CD1-CE2 3.45Å; I248-Y508 HydrophobicContact CD1-CG 4.42Å; I248-Y508 HydrophobicContact CG2-CD1 4.44Å; I248-Y508 HydrophobicContact CG2-CD2 3.89Å; I248-Y508 HydrophobicContact CG2-CG 3.8Å; T255-Y508 HydrophobicContact CG2-CD1 4.24Å; T255-Y508 HydrophobicContact CG2-CE1 3.83Å; H278-Y508 AromaticContact CD2-CD1 3.54Å; H278-Y508 AromaticContact CD2-CE1 3.94Å; H278-Y508 AromaticContact CE1-CD1 3.85Å; H278-Y508 AromaticContact CG-CD1 3.75Å; H278-Y508 AromaticContact ND1-CD1 3.94Å; H278-Y508 AromaticContact NE2-CD1 3.6Å; Q349-Y508 HydrophobicContact CB-CD2 4.31Å; Q349-Y508 VanDerWaalsContact OE1-CA 3.27Å; K352-Y508 HydrophobicContact CD-CE2 4.3Å; K352-Y508 PolarHBondContact NZ-OH 3.45Å; K352-Y508 VanDerWaalsContact NZ-OH 3.14Å; M506-Y508 PolarHBondContact O-N 2.99Å; Y508-V510 VanDerWaalsContact C-N 3.32Å; Y508-S511 WeakPolarHBondContact CA-OG 3.22Å; Y508-S511 WeakPolarHBondContact CD2-OG 3.33Å; Y508-S511 PolarHBondContact O-N 3.07Å; Y508-S511 PolarHBondContact O-OG 3.03Å; Y508-S511 VanDerWaalsContact O-OG 3.1Å; Y508-R512 HydrophobicContact CE1-CG 4.36Å; Y508-R512 HydrophobicContact CE2-CG 4.27Å; Y508-R512 WeakPolarHBondContact O-CG 3.19Å; Y508-R512 PolarHBondContact O-N 3.32Å
509	H	90.2	Very high	90.1	Very high	6.5 Å²	6.5	20.9 Å²	20.9	3%	0.03	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-41.2	172.7	-178.7	54	0	0	0	110.6	K281 E482 D505 M506 D507 S511 R512 L513	K281-H509 WeakPolarHBondContact CD-NE2 3.43Å; E482-H509 IonicContact OE1-NE2 3.34Å; E482-H509 PolarHBondContact OE1-NE2 3.04Å; E482-H509 IonicContact OE2-CE1 2.7Å; E482-H509 PolarHBondContact OE2-CE1 3Å; E482-H509 VanDerWaalsContact OE2-CE1 3.24Å; E482-H509 IonicContact OE2-NE2 3.87Å; E482-H509 PolarHBondContact OE2-NE2 2.76Å; D505-H509 HydrophobicContact CB-CB 4.39Å; D505-H509 IonicContact OD2-CD2 3.37Å; D505-H509 PolarHBondContact OD2-CD2 3.15Å; D505-H509 IonicContact OD2-NE2 3.14Å; M506-H509 WeakPolarHBondContact O-CB 3.37Å; M506-H509 PolarHBondContact O-N 3.22Å; D507-H509 VanDerWaalsContact C-N 3.33Å; D507-H509 PolarHBondContact O-N 2.63Å; H509-S511 VanDerWaalsContact C-N 3.34Å; H509-S511 PolarHBondContact O-N 3.17Å; H509-R512 PolarHBondContact ND1-NH1 3.39Å; H509-R512 WeakPolarHBondContact O-CB 3.42Å; H509-R512 PolarHBondContact O-N 2.94Å; H509-R512 VanDerWaalsContact O-N 3.17Å; H509-L513 WeakPolarHBondContact O-CG 3.33Å; H509-L513 PolarHBondContact O-N 3.08Å
510	V	93	Very high	90	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-67.8	-35.3	175.1	-175.6	0	0	0	0	111.4	V346 L472 I499 V501 D507 Y508 R512 L513 I514	V346-V510 HydrophobicContact CG1-CB 4.22Å; V346-V510 HydrophobicContact CG1-CG1 4.04Å; L472-V510 HydrophobicContact CD2-CG1 4.3Å; I499-V510 HydrophobicContact CG2-CG1 4.29Å; V501-V510 HydrophobicContact CG1-CG2 4.23Å; V501-V510 HydrophobicContact CG2-CG1 3.93Å; V501-V510 HydrophobicContact CG2-CG2 4.27Å; D507-V510 PolarHBondContact O-N 2.78Å; Y508-V510 VanDerWaalsContact C-N 3.32Å; V510-R512 VanDerWaalsContact C-N 3.31Å; V510-R512 PolarHBondContact O-N 3.47Å; V510-L513 PolarHBondContact O-N 3.05Å; V510-I514 HydrophobicContact CG1-CD1 4.22Å; V510-I514 WeakPolarHBondContact O-CG1 3.38Å; V510-I514 PolarHBondContact O-N 3.04Å
511	S	93.3	Very high	90	Very high	0.5 Å²	0.5	20.1 Å²	20.1	0%	0.003	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-35.9	173.3	85.2	0	0	0	0	112.2	V346 D507 Y508 H509 I514 S515	V346-S511 WeakPolarHBondContact O-CB 3.26Å; D507-S511 PolarHBondContact O-N 3.17Å; Y508-S511 WeakPolarHBondContact CA-OG 3.22Å; Y508-S511 WeakPolarHBondContact CD2-OG 3.33Å; Y508-S511 PolarHBondContact O-N 3.07Å; Y508-S511 PolarHBondContact O-OG 3.03Å; Y508-S511 VanDerWaalsContact O-OG 3.1Å; H509-S511 VanDerWaalsContact C-N 3.34Å; H509-S511 PolarHBondContact O-N 3.17Å; S511-I514 PolarHBondContact O-N 3.38Å; S511-S515 WeakPolarHBondContact O-CB 3.41Å; S511-S515 PolarHBondContact O-N 2.79Å; S511-S515 PolarHBondContact O-OG 2.85Å
512	R	92.7	Very high	90	Very high	9.5 Å²	9.5	19.9 Å²	19.9	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-45.9	170.9	-71.2	167.9	71.5	-128.3	6.5	111.6	K281 I283 Y508 H509 V510 I514 S515 L516 F538 L540	K281-R512 VanDerWaalsContact O-CZ 3.3Å; K281-R512 PolarHBondContact O-NH1 3.39Å; K281-R512 PolarHBondContact O-NH2 3.14Å; I283-R512 HydrophobicContact CD1-CB 3.95Å; Y508-R512 HydrophobicContact CE1-CG 4.36Å; Y508-R512 HydrophobicContact CE2-CG 4.27Å; Y508-R512 WeakPolarHBondContact O-CG 3.19Å; Y508-R512 PolarHBondContact O-N 3.32Å; H509-R512 PolarHBondContact ND1-NH1 3.39Å; H509-R512 WeakPolarHBondContact O-CB 3.42Å; H509-R512 PolarHBondContact O-N 2.94Å; H509-R512 VanDerWaalsContact O-N 3.17Å; V510-R512 VanDerWaalsContact C-N 3.31Å; V510-R512 PolarHBondContact O-N 3.47Å; R512-I514 PolarHBondContact O-N 2.79Å; R512-S515 WeakPolarHBondContact O-CB 3.2Å; R512-S515 PolarHBondContact O-N 3.04Å; R512-L516 WeakPolarHBondContact O-CG 3.32Å; R512-L516 PolarHBondContact O-N 2.95Å; R512-L516 VanDerWaalsContact O-N 3.1Å; R512-F538 PolarHBondContact NH2-O 3.06Å; R512-L540 HydrophobicContact CB-CD1 3.78Å; R512-L540 HydrophobicContact CB-CD2 4.04Å; R512-L540 HydrophobicContact CG-CD1 3.96Å; R512-L540 HydrophobicContact CG-CD2 4.02Å; R512-L540 HydrophobicContact CG-CG 4.45Å
513	L	94	Very high	90.2	Very high	0.5 Å²	0.5	18.3 Å²	18.3	0%	0.003	10%	0.099	C	C	.	.	H	α-helix	trans	-61.4	-44.3	177	-65.7	170	0	0	0	112.5	I283 E482 Y483 I499 H509 V510 S515 L516 A517	I283-L513 HydrophobicContact CD1-CD2 3.94Å; I283-L513 HydrophobicContact CD1-CG 4.44Å; I283-L513 HydrophobicContact CG1-CD2 4.29Å; I283-L513 HydrophobicContact CG2-CD2 4.07Å; E482-L513 HydrophobicContact CB-CD1 3.93Å; E482-L513 HydrophobicContact CB-CD2 3.6Å; E482-L513 HydrophobicContact CB-CG 4.45Å; Y483-L513 HydrophobicContact CD1-CD2 3.67Å; Y483-L513 HydrophobicContact CE1-CD2 4.41Å; Y483-L513 HydrophobicContact CG-CD2 4.43Å; I499-L513 HydrophobicContact CD1-CB 4.47Å; I499-L513 HydrophobicContact CG2-CB 3.91Å; I499-L513 HydrophobicContact CG2-CD1 4.13Å; H509-L513 WeakPolarHBondContact O-CG 3.33Å; H509-L513 PolarHBondContact O-N 3.08Å; V510-L513 PolarHBondContact O-N 3.05Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.28Å; L513-L516 PolarHBondContact O-N 3.02Å; L513-A517 WeakPolarHBondContact O-CB 3.29Å; L513-A517 PolarHBondContact O-N 3.04Å
514	I	95.9	Very high	90.8	Very high	0.5 Å²	0.5	14.4 Å²	14.4	0%	0.003	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-42.3	175	-70.5	165.8	0	0	0	111.3	V346 V350 L470 L472 I499 V510 S511 R512 L516 A517 I518	V346-I514 HydrophobicContact CG1-CD1 3.68Å; V350-I514 HydrophobicContact CG1-CG2 4.3Å; V350-I514 HydrophobicContact CG2-CB 4.03Å; V350-I514 HydrophobicContact CG2-CG2 3.69Å; L470-I514 HydrophobicContact CD1-CB 4.41Å; L470-I514 HydrophobicContact CD1-CG1 4.23Å; L470-I514 HydrophobicContact CD1-CG2 3.85Å; L472-I514 HydrophobicContact CD1-CD1 4.36Å; L472-I514 HydrophobicContact CD2-CD1 4.27Å; I499-I514 HydrophobicContact CD1-CB 4.07Å; I499-I514 HydrophobicContact CD1-CG1 3.76Å; I499-I514 HydrophobicContact CG1-CG1 3.88Å; V510-I514 HydrophobicContact CG1-CD1 4.22Å; V510-I514 WeakPolarHBondContact O-CG1 3.38Å; V510-I514 PolarHBondContact O-N 3.04Å; S511-I514 PolarHBondContact O-N 3.38Å; R512-I514 PolarHBondContact O-N 2.79Å; I514-L516 PolarHBondContact O-N 3.27Å; I514-A517 PolarHBondContact O-N 2.88Å; I514-I518 HydrophobicContact CG2-CD1 3.76Å; I514-I518 HydrophobicContact CG2-CG1 4.44Å; I514-I518 WeakPolarHBondContact O-CG1 3.22Å; I514-I518 PolarHBondContact O-N 2.92Å
515	S	95.1	Very high	91.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-41.9	179.8	-52.2	0	0	0	0	111.7	S353 S511 R512 L513 I518 A519	S353-S515 VanDerWaalsContact CB-OG 3.27Å; S353-S515 WeakPolarHBondContact CB-OG 3.28Å; S353-S515 PolarHBondContact OG-OG 2.74Å; S511-S515 WeakPolarHBondContact O-CB 3.41Å; S511-S515 PolarHBondContact O-N 2.79Å; S511-S515 PolarHBondContact O-OG 2.85Å; R512-S515 WeakPolarHBondContact O-CB 3.2Å; R512-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact C-N 3.31Å; L513-S515 PolarHBondContact O-N 3.28Å; S515-I518 PolarHBondContact O-N 2.75Å; S515-A519 WeakPolarHBondContact O-CB 3.24Å; S515-A519 PolarHBondContact O-N 2.82Å
516	L	94.1	Very high	91.5	Very high	8 Å²	8	12 Å²	12	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.3	-69.1	169.5	0	0	0	111.7	I283 Y483 R512 L513 I514 I518 A519 E520 L540 F541	I283-L516 HydrophobicContact CB-CD1 4.22Å; I283-L516 HydrophobicContact CD1-CD1 3.83Å; I283-L516 HydrophobicContact CG2-CD1 3.74Å; Y483-L516 HydrophobicContact CE1-CB 4.15Å; Y483-L516 HydrophobicContact CE1-CD1 4.07Å; Y483-L516 HydrophobicContact CE2-CB 4.12Å; R512-L516 WeakPolarHBondContact O-CG 3.32Å; R512-L516 PolarHBondContact O-N 2.95Å; R512-L516 VanDerWaalsContact O-N 3.1Å; L513-L516 PolarHBondContact O-N 3.02Å; I514-L516 PolarHBondContact O-N 3.27Å; L516-I518 VanDerWaalsContact C-N 3.33Å; L516-I518 PolarHBondContact O-N 3.16Å; L516-A519 PolarHBondContact O-N 2.92Å; L516-E520 PolarHBondContact O-N 3.08Å; L516-L540 HydrophobicContact CD1-CD1 4.26Å; L516-L540 HydrophobicContact CD2-CD1 4.15Å; L516-L540 HydrophobicContact CG-CD1 3.92Å; L516-F541 HydrophobicContact CD2-CE1 4.12Å
517	A	95.4	Very high	91.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.6	-42.4	175.8	0	0	0	0	0	112.4	L470 Y483 A485 I499 L513 I514 E520 I521	L470-A517 HydrophobicContact CD2-CB 4.36Å; Y483-A517 HydrophobicContact CD2-CB 4.04Å; A485-A517 HydrophobicContact CB-CB 4.01Å; I499-A517 HydrophobicContact CD1-CB 4.07Å; L513-A517 WeakPolarHBondContact O-CB 3.29Å; L513-A517 PolarHBondContact O-N 3.04Å; I514-A517 PolarHBondContact O-N 2.88Å; A517-E520 PolarHBondContact O-N 3.19Å; A517-I521 WeakPolarHBondContact O-CG1 3.46Å; A517-I521 PolarHBondContact O-N 3.19Å; A517-I521 VanDerWaalsContact O-N 3.11Å
518	I	96.3	Very high	91.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.6	-41.9	175.5	-68.5	169.5	0	0	0	111.1	I318 L320 V350 F354 L361 L470 I514 S515 L516 E520 I521 L522	I318-I518 HydrophobicContact CD1-CG2 4.02Å; L320-I518 HydrophobicContact CD1-CD1 4.22Å; L320-I518 HydrophobicContact CD2-CD1 3.96Å; L320-I518 HydrophobicContact CD2-CG1 4.41Å; V350-I518 HydrophobicContact CG1-CD1 4.49Å; F354-I518 HydrophobicContact CE1-CG2 4.09Å; F354-I518 HydrophobicContact CE2-CG2 4.38Å; F354-I518 HydrophobicContact CZ-CB 3.92Å; F354-I518 HydrophobicContact CZ-CG2 3.61Å; L361-I518 HydrophobicContact CD1-CD1 4.4Å; L470-I518 HydrophobicContact CD1-CG1 4.28Å; I514-I518 HydrophobicContact CG2-CD1 3.76Å; I514-I518 HydrophobicContact CG2-CG1 4.44Å; I514-I518 WeakPolarHBondContact O-CG1 3.22Å; I514-I518 PolarHBondContact O-N 2.92Å; S515-I518 PolarHBondContact O-N 2.75Å; L516-I518 VanDerWaalsContact C-N 3.33Å; L516-I518 PolarHBondContact O-N 3.16Å; I518-E520 VanDerWaalsContact C-N 3.33Å; I518-E520 PolarHBondContact O-N 3.08Å; I518-I521 PolarHBondContact O-N 3.03Å; I518-L522 HydrophobicContact CG2-CD1 3.81Å; I518-L522 HydrophobicContact CG2-CG 4.32Å; I518-L522 WeakPolarHBondContact O-CB 3.38Å; I518-L522 VanDerWaalsContact O-CG 3.27Å; I518-L522 WeakPolarHBondContact O-CG 3.36Å; I518-L522 PolarHBondContact O-N 3.13Å
519	A	94.5	Very high	91.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-64.7	-34.1	178.1	0	0	0	0	0	113.2	S515 L516 L522 G523 I524 F541	S515-A519 WeakPolarHBondContact O-CB 3.24Å; S515-A519 PolarHBondContact O-N 2.82Å; L516-A519 PolarHBondContact O-N 2.92Å; A519-L522 PolarHBondContact O-N 3.29Å; A519-G523 PolarHBondContact O-N 3.09Å; A519-I524 HydrophobicContact CB-CB 4.47Å; A519-I524 HydrophobicContact CB-CD1 4.44Å; A519-I524 HydrophobicContact CB-CG2 4.29Å; A519-I524 VanDerWaalsContact O-CB 3.32Å; A519-I524 WeakPolarHBondContact O-CB 3.42Å; A519-I524 VanDerWaalsContact O-CG2 3.28Å; A519-I524 WeakPolarHBondContact O-CG2 3.35Å; A519-I524 PolarHBondContact O-N 3.08Å; A519-I524 VanDerWaalsContact O-N 3.14Å; A519-F541 HydrophobicContact CB-CE1 3.65Å; A519-F541 HydrophobicContact CB-CZ 3.78Å
520	E	93.4	Very high	91.1	Very high	15 Å²	15	17.5 Å²	17.5	7%	0.07	10%	0.1	C	C	.	.	H	α-helix	trans	-67.9	-44.4	172.6	-71.2	-169.7	-153.5	0	0	112.4	Y483 A485 P487 D488 L516 A517 I518 L522 G523 I524 K525	Y483-E520 VanDerWaalsContact CE2-OE1 3.32Å; Y483-E520 WeakPolarHBondContact CE2-OE1 3.31Å; Y483-E520 PolarHBondContact OH-OE1 3.22Å; A485-E520 HydrophobicContact CB-CB 4.35Å; P487-E520 WeakPolarHBondContact CA-O 3.3Å; D488-E520 PolarHBondContact N-O 3.25Å; L516-E520 PolarHBondContact O-N 3.08Å; A517-E520 PolarHBondContact O-N 3.19Å; I518-E520 VanDerWaalsContact C-N 3.33Å; I518-E520 PolarHBondContact O-N 3.08Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.29Å; E520-G523 WeakPolarHBondContact O-CA 3.42Å; E520-G523 PolarHBondContact O-N 2.89Å; E520-I524 HydrophobicContact CG-CG2 4.27Å; E520-K525 HydrophobicContact CG-CD 4.05Å; E520-K525 HydrophobicContact CG-CG 4.41Å; E520-K525 VanDerWaalsContact OE1-CE 3.31Å; E520-K525 WeakPolarHBondContact OE1-CE 3.31Å; E520-K525 IonicContact OE1-NZ 3.55Å; E520-K525 PolarHBondContact OE1-NZ 3.31Å; E520-K525 WeakPolarHBondContact OE2-CE 3.26Å; E520-K525 IonicContact OE2-NZ 3.12Å; E520-K525 PolarHBondContact OE2-NZ 3.19Å
521	I	95	Very high	90.5	Very high	0.5 Å²	0.5	23.8 Å²	23.8	0%	0.003	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-38.1	174.7	-68.4	166.4	0	0	0	111.2	V468 L470 A485 I486 D488 S489 I490 A495 A517 I518 G523	V468-I521 HydrophobicContact CG1-CD1 3.8Å; V468-I521 HydrophobicContact CG2-CG2 4.02Å; L470-I521 HydrophobicContact CD2-CD1 4.16Å; A485-I521 HydrophobicContact CB-CD1 4.19Å; A485-I521 HydrophobicContact CB-CG1 4.02Å; I486-I521 WeakPolarHBondContact O-CG1 3.31Å; D488-I521 CarbonylContact C-O 3.56Å; S489-I521 PolarHBondContact N-O 3.22Å; S489-I521 VanDerWaalsContact N-O 3.13Å; I490-I521 HydrophobicContact CB-CG2 4.11Å; I490-I521 WeakPolarHBondContact CB-O 3.36Å; I490-I521 HydrophobicContact CD1-CG2 4.17Å; I490-I521 PolarHBondContact N-O 2.96Å; A495-I521 HydrophobicContact CB-CG2 3.94Å; A517-I521 WeakPolarHBondContact O-CG1 3.46Å; A517-I521 PolarHBondContact O-N 3.19Å; A517-I521 VanDerWaalsContact O-N 3.11Å; I518-I521 PolarHBondContact O-N 3.03Å; I521-G523 PolarHBondContact O-N 2.85Å
522	L	93.3	Very high	89.9	Confident	0.5 Å²	0.5	31.4 Å²	31.4	0%	0.003	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-8	174.1	-73.6	170.5	0	0	0	114.4	I318 F354 I490 I518 A519 E520 L549 A552 L553 L561	I318-L522 HydrophobicContact CD1-CD1 3.88Å; I318-L522 HydrophobicContact CD1-CD2 3.93Å; I318-L522 HydrophobicContact CD1-CG 4.23Å; F354-L522 HydrophobicContact CE1-CD1 4.2Å; I490-L522 HydrophobicContact CB-CD2 4.34Å; I490-L522 HydrophobicContact CD1-CD2 4.16Å; I490-L522 HydrophobicContact CG1-CD2 3.91Å; I518-L522 HydrophobicContact CG2-CD1 3.81Å; I518-L522 HydrophobicContact CG2-CG 4.32Å; I518-L522 WeakPolarHBondContact O-CB 3.38Å; I518-L522 VanDerWaalsContact O-CG 3.27Å; I518-L522 WeakPolarHBondContact O-CG 3.36Å; I518-L522 PolarHBondContact O-N 3.13Å; A519-L522 PolarHBondContact O-N 3.29Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.29Å; L522-L549 HydrophobicContact CB-CD1 3.7Å; L522-L549 HydrophobicContact CD1-CD1 3.87Å; L522-L549 HydrophobicContact CG-CD1 4.43Å; L522-A552 VanDerWaalsContact O-CB 3.3Å; L522-A552 WeakPolarHBondContact O-CB 3.41Å; L522-L553 HydrophobicContact CD2-CD2 4.03Å; L522-L561 HydrophobicContact CD2-CD1 4.06Å
523	G	89.8	Confident	89.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	23.6	172.5	0	0	0	0	0	116	D488 A519 E520 I521 K525 S526	D488-G523 WeakPolarHBondContact OD1-CA 3.35Å; A519-G523 PolarHBondContact O-N 3.09Å; E520-G523 WeakPolarHBondContact O-CA 3.42Å; E520-G523 PolarHBondContact O-N 2.89Å; I521-G523 PolarHBondContact O-N 2.85Å; G523-K525 PolarHBondContact O-N 2.88Å; G523-K525 VanDerWaalsContact O-N 3.13Å; G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.47Å; G523-S526 PolarHBondContact O-N 2.99Å; G523-S526 VanDerWaalsContact O-N 3.13Å
524	I	89.4	Confident	88.6	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.056	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57	-29.3	176.6	-159.2	174.7	0	0	0	112.8	A519 E520 D545 R548	A519-I524 HydrophobicContact CB-CB 4.47Å; A519-I524 HydrophobicContact CB-CD1 4.44Å; A519-I524 HydrophobicContact CB-CG2 4.29Å; A519-I524 VanDerWaalsContact O-CB 3.32Å; A519-I524 WeakPolarHBondContact O-CB 3.42Å; A519-I524 VanDerWaalsContact O-CG2 3.28Å; A519-I524 WeakPolarHBondContact O-CG2 3.35Å; A519-I524 PolarHBondContact O-N 3.08Å; A519-I524 VanDerWaalsContact O-N 3.14Å; E520-I524 HydrophobicContact CG-CG2 4.27Å; I524-D545 HydrophobicContact CD1-CB 3.78Å; I524-R548 HydrophobicContact CG1-CB 3.77Å; I524-R548 VanDerWaalsContact O-CZ 3.31Å; I524-R548 PolarHBondContact O-NE 2.9Å; I524-R548 PolarHBondContact O-NH2 3.31Å; I524-R548 VanDerWaalsContact O-NH2 3.09Å
525	K	85.5	Confident	87.9	Confident	92.5 Å²	92.5	39.7 Å²	39.7	40%	0.402	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-77.8	-17.9	179.1	-74.9	-177.7	171.6	172.6	0	114	P487 E520 G523 F527	P487-K525 HydrophobicContact CB-CB 4.47Å; E520-K525 HydrophobicContact CG-CD 4.05Å; E520-K525 HydrophobicContact CG-CG 4.41Å; E520-K525 VanDerWaalsContact OE1-CE 3.31Å; E520-K525 WeakPolarHBondContact OE1-CE 3.31Å; E520-K525 IonicContact OE1-NZ 3.55Å; E520-K525 PolarHBondContact OE1-NZ 3.31Å; E520-K525 WeakPolarHBondContact OE2-CE 3.26Å; E520-K525 IonicContact OE2-NZ 3.12Å; E520-K525 PolarHBondContact OE2-NZ 3.19Å; G523-K525 PolarHBondContact O-N 2.88Å; G523-K525 VanDerWaalsContact O-N 3.13Å; K525-F527 PolarHBondContact O-N 2.61Å
526	S	81.6	Confident	87	Confident	13.5 Å²	13.5	46.2 Å²	46.2	9%	0.094	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.9	170.8	-75.2	0	0	0	0	113	D488 G523	D488-S526 PolarHBondContact OD1-N 2.89Å; D488-S526 PolarHBondContact OD1-OG 2.85Å; D488-S526 PolarHBondContact OD2-OG 3.34Å; G523-S526 VanDerWaalsContact O-CB 3.32Å; G523-S526 WeakPolarHBondContact O-CB 3.47Å; G523-S526 PolarHBondContact O-N 2.99Å; G523-S526 VanDerWaalsContact O-N 3.13Å
527	F	84.9	Confident	85.9	Confident	14.5 Å²	14.5	47.9 Å²	47.9	6%	0.064	26%	0.262	C	S	.	.	S	Bend	trans	-106.1	131.3	-173.2	-60.8	-84.8	0	0	0	111.7	I298 K525 R548 L551 A552 M557	I298-F527 HydrophobicContact CB-CZ 4.45Å; I298-F527 HydrophobicContact CD1-CD1 3.83Å; I298-F527 HydrophobicContact CD1-CE1 3.4Å; I298-F527 HydrophobicContact CD1-CE2 4.21Å; I298-F527 HydrophobicContact CD1-CG 4.42Å; I298-F527 HydrophobicContact CD1-CZ 3.61Å; I298-F527 HydrophobicContact CG1-CE1 3.96Å; I298-F527 HydrophobicContact CG1-CE2 4.36Å; I298-F527 HydrophobicContact CG1-CZ 3.71Å; I298-F527 HydrophobicContact CG2-CE1 3.89Å; I298-F527 HydrophobicContact CG2-CZ 3.82Å; K525-F527 PolarHBondContact O-N 2.61Å; F527-R548 HydrophobicContact CB-CB 4.26Å; F527-R548 HydrophobicContact CB-CG 4.1Å; F527-R548 PolarHBondContact O-NE 3.16Å; F527-R548 PolarHBondContact O-NH2 3.13Å; F527-R548 VanDerWaalsContact O-NH2 3.08Å; F527-L551 HydrophobicContact CD1-CB 4.43Å; F527-L551 HydrophobicContact CD1-CD2 3.33Å; F527-L551 HydrophobicContact CD1-CG 3.74Å; F527-L551 HydrophobicContact CE1-CB 4.37Å; F527-L551 HydrophobicContact CE1-CD1 4.44Å; F527-L551 HydrophobicContact CE1-CD2 3.53Å; F527-L551 VanDerWaalsContact CE1-CD2 3.47Å; F527-L551 HydrophobicContact CE1-CG 3.46Å; F527-L551 VanDerWaalsContact CE1-CG 3.46Å; F527-L551 HydrophobicContact CG-CD2 4.11Å; F527-L551 HydrophobicContact CG-CG 4.26Å; F527-L551 HydrophobicContact CZ-CB 4.42Å; F527-L551 HydrophobicContact CZ-CD2 4.4Å; F527-L551 HydrophobicContact CZ-CG 3.96Å; F527-A552 HydrophobicContact CD2-CB 4.03Å; F527-A552 VanDerWaalsContact CE2-CA 3.44Å; F527-A552 HydrophobicContact CE2-CB 3.6Å; F527-A552 HydrophobicContact CZ-CB 4.49Å; F527-M557 HydrophobicContact CE2-CE 4.09Å
528	P	85.1	Confident	84.6	Confident	104.5 Å²	104.5	55.5 Å²	55.5	68%	0.679	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-64	161	172.7	30.2	-35.5	0	0	0	110.4	P530	P528-P530 WeakPolarHBondContact O-CD 3.31Å
529	C	85.8	Confident	83.3	Confident	54 Å²	54	59.1 Å²	59.1	37%	0.365	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-66.9	128.2	173.5	-164.6	0	0	0	0	110.3	Y533 C535	C529-Y533 PolarHBondContact SG-O 2.93Å; C529-Y533 VanDerWaalsContact SG-O 3.34Å; C529-C535 WeakPolarHBondContact CA-SG 3.19Å; C529-C535 HydrophobicContact CB-CB 3.9Å; C529-C535 WeakPolarHBondContact CB-SG 3.48Å; C529-C535 WeakPolarHBondContact SG-CB 3.35Å; C529-C535 PolarHBondContact SG-N 3.36Å; C529-C535 CovalentContact SG-SG 2.04Å; C529-C535 PolarHBondContact SG-SG 2.53Å
530	P	85.1	Confident	82.6	Confident	39.5 Å²	39.5	59.9 Å²	59.9	26%	0.256	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.7	135.6	177	-21	33.1	0	0	0	110.9	P528 L532 Y533 R548	P528-P530 WeakPolarHBondContact O-CD 3.31Å; P530-L532 PolarHBondContact O-N 2.99Å; P530-Y533 HydrophobicContact CB-CD2 4.09Å; P530-Y533 PolarHBondContact O-N 3.34Å; P530-Y533 VanDerWaalsContact O-O 3.1Å; P530-R548 HydrophobicContact CG-CG 4.48Å
531	P	79.8	Confident	82.3	Confident	135 Å²	135	60.1 Å²	60.1	88%	0.877	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-6.1	-168.4	27.3	-36.6	0	0	0	115.5
532	L	81.3	Confident	81.9	Confident	159.5 Å²	159.5	60.6 Å²	60.6	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-0.3	176.8	-61.8	176.7	0	0	0	113.4	P530	P530-L532 PolarHBondContact O-N 2.99Å
533	Y	78	Confident	81.5	Confident	109 Å²	109	65 Å²	65	43%	0.427	35%	0.346	S	S	.	.	S	Bend	trans	-133.2	146.5	-174.5	-67.4	-87.7	0	0	0	111.2	C529 P530 D543	C529-Y533 PolarHBondContact SG-O 2.93Å; C529-Y533 VanDerWaalsContact SG-O 3.34Å; P530-Y533 HydrophobicContact CB-CD2 4.09Å; P530-Y533 PolarHBondContact O-N 3.34Å; P530-Y533 VanDerWaalsContact O-O 3.1Å; Y533-D543 HydrophobicContact CD1-CB 3.55Å; Y533-D543 HydrophobicContact CE1-CB 3.63Å
534	S	82.1	Confident	81.4	Confident	71.5 Å²	71.5	65 Å²	65	50%	0.5	35%	0.346	S	S	.	.			trans	-77.8	138.8	160.9	-173.6	0	0	0	0	110	Y536 S542	S534-Y536 VanDerWaalsContact C-N 3.32Å; S534-Y536 PolarHBondContact OG-N 3.05Å; S534-Y536 PolarHBondContact OG-O 2.9Å; S534-S542 VanDerWaalsContact O-CB 3.31Å; S534-S542 WeakPolarHBondContact O-CB 3.38Å; S534-S542 PolarHBondContact O-OG 3.32Å
535	C	81.5	Confident	81.5	Confident	3.5 Å²	3.5	64.5 Å²	64.5	2%	0.024	34%	0.344	C	S	.	.	S	Bend	trans	-100	10.8	166.8	-57.5	0	0	0	0	112.5	C529 S542 R548	C529-C535 WeakPolarHBondContact CA-SG 3.19Å; C529-C535 HydrophobicContact CB-CB 3.9Å; C529-C535 WeakPolarHBondContact CB-SG 3.48Å; C529-C535 WeakPolarHBondContact SG-CB 3.35Å; C529-C535 PolarHBondContact SG-N 3.36Å; C529-C535 CovalentContact SG-SG 2.04Å; C529-C535 PolarHBondContact SG-SG 2.53Å; C535-S542 WeakPolarHBondContact CA-OG 3.3Å; C535-R548 VanDerWaalsContact SG-CD 3.56Å
536	Y	75.6	Confident	81.7	Confident	137.5 Å²	137.5	60.5 Å²	60.5	54%	0.539	33%	0.327	S	S	.	.			trans	-127.9	116.1	178	-58	-85.2	0	0	0	108.3	D286 S534	D286-Y536 VanDerWaalsContact OD2-CE1 3.25Å; D286-Y536 WeakPolarHBondContact OD2-CE1 2.94Å; D286-Y536 PolarHBondContact OD2-OH 3.25Å; S534-Y536 VanDerWaalsContact C-N 3.32Å; S534-Y536 PolarHBondContact OG-N 3.05Å; S534-Y536 PolarHBondContact OG-O 2.9Å
537	S	70.1	Confident	82	Confident	43 Å²	43	61.5 Å²	61.5	30%	0.301	33%	0.334	S	S	.	.			trans	-135.6	168.4	170.6	-168.8	0	0	0	0	109.7	D539	S537-D539 WeakPolarHBondContact CB-OD2 3.36Å; S537-D539 PolarHBondContact OG-N 3.31Å; S537-D539 PolarHBondContact OG-OD2 3.09Å
538	F	67.7	Low	82.3	Confident	160.5 Å²	160.5	62.5 Å²	62.5	70%	0.704	34%	0.337	S	S	*	.	S	Bend	trans	-66.4	-26	160.9	-66.4	-82.4	0	0	0	111.4	R512	R512-F538 PolarHBondContact NH2-O 3.06Å
539	D	69.1	Low	82.6	Confident	76 Å²	76	57.5 Å²	57.5	41%	0.406	31%	0.305	S	S	.	.	S	Bend	trans	-66.3	158.5	171.7	-49.7	-61.7	0	0	0	112.1	S537	S537-D539 WeakPolarHBondContact CB-OD2 3.36Å; S537-D539 PolarHBondContact OG-N 3.31Å; S537-D539 PolarHBondContact OG-OD2 3.09Å
540	L	81.3	Confident	82.8	Confident	17.5 Å²	17.5	60.5 Å²	60.5	9%	0.092	31%	0.309	C	S	.	.	S	Bend	trans	-70.4	-43.6	-177.4	-172.4	58	0	0	0	112.8	R285 S353 R512 L516	R285-L540 PolarHBondContact NH2-O 2.04Å; S353-L540 WeakPolarHBondContact OG-CD2 3.41Å; R512-L540 HydrophobicContact CB-CD1 3.78Å; R512-L540 HydrophobicContact CB-CD2 4.04Å; R512-L540 HydrophobicContact CG-CD1 3.96Å; R512-L540 HydrophobicContact CG-CD2 4.02Å; R512-L540 HydrophobicContact CG-CG 4.45Å; L516-L540 HydrophobicContact CD1-CD1 4.26Å; L516-L540 HydrophobicContact CD2-CD1 4.15Å; L516-L540 HydrophobicContact CG-CD1 3.92Å
541	F	86.9	Confident	82.9	Confident	19.5 Å²	19.5	61.9 Å²	61.9	9%	0.086	31%	0.313	C	S	.	.	S	Bend	trans	-131	119.8	171.7	-59.6	-51.8	0	0	0	108.9	S353 F354 L516 A519 D545 N546	S353-F541 WeakPolarHBondContact O-CD2 3.32Å; F354-F541 HydrophobicContact CE1-CE2 4.25Å; F354-F541 HydrophobicContact CZ-CE2 4.22Å; F354-F541 HydrophobicContact CZ-CZ 4.3Å; L516-F541 HydrophobicContact CD2-CE1 4.12Å; A519-F541 HydrophobicContact CB-CE1 3.65Å; A519-F541 HydrophobicContact CB-CZ 3.78Å; F541-D545 HydrophobicContact CB-CB 4.01Å; F541-D545 HydrophobicContact CD1-CB 4.22Å; F541-D545 HydrophobicContact CG-CB 4.49Å; F541-N546 PolarHBondContact O-ND2 3.3Å
542	S	86.5	Confident	83.4	Confident	11 Å²	11	55.4 Å²	55.4	8%	0.077	27%	0.271	C	S	.	.			trans	-71.4	168.7	170.4	65.3	0	0	0	0	111.6	S534 C535 G544 D545 N546	S534-S542 VanDerWaalsContact O-CB 3.31Å; S534-S542 WeakPolarHBondContact O-CB 3.38Å; S534-S542 PolarHBondContact O-OG 3.32Å; C535-S542 WeakPolarHBondContact CA-OG 3.3Å; S542-G544 PolarHBondContact O-N 3.03Å; S542-G544 PolarHBondContact OG-N 3.33Å; S542-D545 PolarHBondContact N-OD2 2.94Å; S542-D545 VanDerWaalsContact N-OD2 3.14Å; S542-D545 WeakPolarHBondContact O-CB 3.26Å; S542-D545 PolarHBondContact O-N 2.95Å; S542-D545 VanDerWaalsContact O-N 3.09Å; S542-D545 WeakPolarHBondContact OG-CB 3.34Å; S542-D545 PolarHBondContact OG-N 3.06Å; S542-D545 VanDerWaalsContact OG-N 3.09Å; S542-D545 PolarHBondContact OG-OD2 2.74Å; S542-N546 PolarHBondContact O-N 3.17Å; S542-N546 PolarHBondContact O-ND2 3.21Å
543	D	84.9	Confident	83.7	Confident	91.5 Å²	91.5	48 Å²	48	49%	0.489	23%	0.232	S	C	.	.	H	α-helix	trans	-57.6	-33.3	171	-68.1	-32.4	0	0	0	112.2	Y533 S547	Y533-D543 HydrophobicContact CD1-CB 3.55Å; Y533-D543 HydrophobicContact CE1-CB 3.63Å; D543-S547 VanDerWaalsContact O-CB 3.25Å; D543-S547 WeakPolarHBondContact O-CB 3.25Å; D543-S547 PolarHBondContact O-N 2.98Å; D543-S547 PolarHBondContact O-OG 3.04Å
544	G	87.7	Confident	84	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-43.9	172.3	0	0	0	0	0	112.6	S542 S547 R548	S542-G544 PolarHBondContact O-N 3.03Å; S542-G544 PolarHBondContact OG-N 3.33Å; G544-S547 WeakPolarHBondContact O-CB 3.27Å; G544-S547 PolarHBondContact O-N 3.08Å; G544-R548 WeakPolarHBondContact O-CD 3.44Å; G544-R548 WeakPolarHBondContact O-CG 3.26Å; G544-R548 PolarHBondContact O-N 3.13Å
545	D	91.1	Very high	84	Confident	0.5 Å²	0.5	42.5 Å²	42.5	0%	0.003	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-45	175.3	-70.7	-38.1	0	0	0	112.5	R285 I524 F541 S542 S547 R548 L549	R285-D545 IonicContact CZ-OD2 2.64Å; R285-D545 IonicContact NH1-OD1 3.59Å; R285-D545 IonicContact NH1-OD2 2.72Å; R285-D545 PolarHBondContact NH1-OD2 2.84Å; R285-D545 IonicContact NH2-OD2 2.74Å; I524-D545 HydrophobicContact CD1-CB 3.78Å; F541-D545 HydrophobicContact CB-CB 4.01Å; F541-D545 HydrophobicContact CD1-CB 4.22Å; F541-D545 HydrophobicContact CG-CB 4.49Å; S542-D545 PolarHBondContact N-OD2 2.94Å; S542-D545 VanDerWaalsContact N-OD2 3.14Å; S542-D545 WeakPolarHBondContact O-CB 3.26Å; S542-D545 PolarHBondContact O-N 2.95Å; S542-D545 VanDerWaalsContact O-N 3.09Å; S542-D545 WeakPolarHBondContact OG-CB 3.34Å; S542-D545 PolarHBondContact OG-N 3.06Å; S542-D545 VanDerWaalsContact OG-N 3.09Å; S542-D545 PolarHBondContact OG-OD2 2.74Å; D545-S547 VanDerWaalsContact C-N 3.27Å; D545-S547 PolarHBondContact O-N 3.02Å; D545-R548 PolarHBondContact O-N 3.25Å; D545-R548 IonicContact OD1-CZ 2.68Å; D545-R548 IonicContact OD1-NH1 3.74Å; D545-R548 PolarHBondContact OD1-NH1 3.41Å; D545-R548 VanDerWaalsContact OD1-NH1 3.11Å; D545-L549 VanDerWaalsContact O-CB 3.29Å; D545-L549 WeakPolarHBondContact O-CB 3.25Å; D545-L549 PolarHBondContact O-N 3.05Å
546	N	89.6	Confident	83.9	Confident	10 Å²	10	42.9 Å²	42.9	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-59.7	-39.4	175.4	-71.9	-52.5	0	0	0	110.9	F541 S542 L549 R550	F541-N546 PolarHBondContact O-ND2 3.3Å; S542-N546 PolarHBondContact O-N 3.17Å; S542-N546 PolarHBondContact O-ND2 3.21Å; N546-L549 PolarHBondContact O-N 3.49Å; N546-R550 WeakPolarHBondContact O-CB 3.38Å; N546-R550 VanDerWaalsContact O-CG 3.26Å; N546-R550 WeakPolarHBondContact O-CG 3.21Å; N546-R550 PolarHBondContact O-N 3.26Å
547	S	88.6	Confident	84.2	Confident	34 Å²	34	36.5 Å²	36.5	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-46.2	175.2	-60.8	0	0	0	0	112.4	D543 G544 D545 L549 R550 L551	D543-S547 VanDerWaalsContact O-CB 3.25Å; D543-S547 WeakPolarHBondContact O-CB 3.25Å; D543-S547 PolarHBondContact O-N 2.98Å; D543-S547 PolarHBondContact O-OG 3.04Å; G544-S547 WeakPolarHBondContact O-CB 3.27Å; G544-S547 PolarHBondContact O-N 3.08Å; D545-S547 VanDerWaalsContact C-N 3.27Å; D545-S547 PolarHBondContact O-N 3.02Å; S547-L549 VanDerWaalsContact C-N 3.34Å; S547-L549 PolarHBondContact O-N 3.36Å; S547-R550 PolarHBondContact O-N 3.08Å; S547-L551 WeakPolarHBondContact O-CB 3.2Å; S547-L551 PolarHBondContact O-N 3.09Å
548	R	90.9	Very high	85	Confident	34.5 Å²	34.5	34.4 Å²	34.4	13%	0.13	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-40.7	175.9	-69.1	160.4	74.3	-155.8	11.9	111.7	I524 F527 P530 C535 G544 D545 L551 A552	I524-R548 HydrophobicContact CG1-CB 3.77Å; I524-R548 VanDerWaalsContact O-CZ 3.31Å; I524-R548 PolarHBondContact O-NE 2.9Å; I524-R548 PolarHBondContact O-NH2 3.31Å; I524-R548 VanDerWaalsContact O-NH2 3.09Å; F527-R548 HydrophobicContact CB-CB 4.26Å; F527-R548 HydrophobicContact CB-CG 4.1Å; F527-R548 PolarHBondContact O-NE 3.16Å; F527-R548 PolarHBondContact O-NH2 3.13Å; F527-R548 VanDerWaalsContact O-NH2 3.08Å; P530-R548 HydrophobicContact CG-CG 4.48Å; C535-R548 VanDerWaalsContact SG-CD 3.56Å; G544-R548 WeakPolarHBondContact O-CD 3.44Å; G544-R548 WeakPolarHBondContact O-CG 3.26Å; G544-R548 PolarHBondContact O-N 3.13Å; D545-R548 PolarHBondContact O-N 3.25Å; D545-R548 IonicContact OD1-CZ 2.68Å; D545-R548 IonicContact OD1-NH1 3.74Å; D545-R548 PolarHBondContact OD1-NH1 3.41Å; D545-R548 VanDerWaalsContact OD1-NH1 3.11Å; R548-L551 PolarHBondContact O-N 3.1Å; R548-A552 WeakPolarHBondContact O-CB 3.38Å; R548-A552 PolarHBondContact O-N 3.3Å
549	L	91.3	Very high	85.7	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-41.5	179.4	-172.9	57.3	0	0	0	112	F354 V357 L522 D545 N546 S547 L551 A552 L553	F354-L549 HydrophobicContact CD1-CD2 4.26Å; F354-L549 HydrophobicContact CE1-CD2 4.04Å; V357-L549 HydrophobicContact CB-CD2 4.48Å; V357-L549 HydrophobicContact CG1-CB 4.44Å; V357-L549 HydrophobicContact CG1-CD2 4.08Å; V357-L549 HydrophobicContact CG1-CG 4.29Å; V357-L549 HydrophobicContact CG2-CD2 3.92Å; L522-L549 HydrophobicContact CB-CD1 3.7Å; L522-L549 HydrophobicContact CD1-CD1 3.87Å; L522-L549 HydrophobicContact CG-CD1 4.43Å; D545-L549 VanDerWaalsContact O-CB 3.29Å; D545-L549 WeakPolarHBondContact O-CB 3.25Å; D545-L549 PolarHBondContact O-N 3.05Å; N546-L549 PolarHBondContact O-N 3.49Å; S547-L549 VanDerWaalsContact C-N 3.34Å; S547-L549 PolarHBondContact O-N 3.36Å; L549-L551 VanDerWaalsContact C-N 3.31Å; L549-L551 PolarHBondContact O-N 3.15Å; L549-A552 PolarHBondContact O-N 3.11Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.35Å; L549-L553 PolarHBondContact O-N 3.36Å
550	R	89.7	Confident	86.4	Confident	117 Å²	117	27.8 Å²	27.8	44%	0.442	15%	0.152	S	C	.	.	H	α-helix	trans	-58.4	-43.3	170	-74.1	172.6	-177.7	-171.1	1.9	111.5	H356 V357 N546 S547 L553 S554	H356-R550 PolarHBondContact O-NE 3.34Å; H356-R550 PolarHBondContact O-NH2 3.29Å; V357-R550 HydrophobicContact CG1-CG 4.01Å; N546-R550 WeakPolarHBondContact O-CB 3.38Å; N546-R550 VanDerWaalsContact O-CG 3.26Å; N546-R550 WeakPolarHBondContact O-CG 3.21Å; N546-R550 PolarHBondContact O-N 3.26Å; S547-R550 PolarHBondContact O-N 3.08Å; R550-L553 PolarHBondContact O-N 3.46Å; R550-S554 WeakPolarHBondContact O-CB 3.38Å; R550-S554 PolarHBondContact O-N 3.42Å; R550-S554 PolarHBondContact O-OG 2.52Å
551	L	88.2	Confident	86.7	Confident	68 Å²	68	27.1 Å²	27.1	36%	0.356	15%	0.148	S	C	.	.	H	α-helix	trans	-65.9	-41.7	178.9	-170.7	56.9	0	0	0	111.6	F527 S547 R548 L549 S554 S555	F527-L551 HydrophobicContact CD1-CB 4.43Å; F527-L551 HydrophobicContact CD1-CD2 3.33Å; F527-L551 HydrophobicContact CD1-CG 3.74Å; F527-L551 HydrophobicContact CE1-CB 4.37Å; F527-L551 HydrophobicContact CE1-CD1 4.44Å; F527-L551 HydrophobicContact CE1-CD2 3.53Å; F527-L551 VanDerWaalsContact CE1-CD2 3.47Å; F527-L551 HydrophobicContact CE1-CG 3.46Å; F527-L551 VanDerWaalsContact CE1-CG 3.46Å; F527-L551 HydrophobicContact CG-CD2 4.11Å; F527-L551 HydrophobicContact CG-CG 4.26Å; F527-L551 HydrophobicContact CZ-CB 4.42Å; F527-L551 HydrophobicContact CZ-CD2 4.4Å; F527-L551 HydrophobicContact CZ-CG 3.96Å; S547-L551 WeakPolarHBondContact O-CB 3.2Å; S547-L551 PolarHBondContact O-N 3.09Å; R548-L551 PolarHBondContact O-N 3.1Å; L549-L551 VanDerWaalsContact C-N 3.31Å; L549-L551 PolarHBondContact O-N 3.15Å; L551-S554 WeakPolarHBondContact CA-OG 3.34Å; L551-S554 CarbonylContact O-C 3.53Å; L551-S554 PolarHBondContact O-N 3.03Å; L551-S554 PolarHBondContact O-OG 3.25Å; L551-S555 PolarHBondContact O-N 3.06Å
552	A	88.8	Confident	86.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-45	174.4	0	0	0	0	0	112.8	L522 F527 R548 L549 S554 S555	L522-A552 VanDerWaalsContact O-CB 3.3Å; L522-A552 WeakPolarHBondContact O-CB 3.41Å; F527-A552 HydrophobicContact CD2-CB 4.03Å; F527-A552 VanDerWaalsContact CE2-CA 3.44Å; F527-A552 HydrophobicContact CE2-CB 3.6Å; F527-A552 HydrophobicContact CZ-CB 4.49Å; R548-A552 WeakPolarHBondContact O-CB 3.38Å; R548-A552 PolarHBondContact O-N 3.3Å; L549-A552 PolarHBondContact O-N 3.11Å; A552-S554 VanDerWaalsContact C-N 3.33Å; A552-S554 PolarHBondContact O-N 3.12Å; A552-S555 WeakPolarHBondContact O-CB 3.39Å; A552-S555 PolarHBondContact O-N 2.72Å; A552-S555 PolarHBondContact O-OG 3.02Å
553	L	88.8	Confident	85.4	Confident	2.5 Å²	2.5	32.2 Å²	32.2	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-41.2	173.1	-67.5	167.7	0	0	0	112	Y316 V357 P358 V359 L522 L549 R550 S555 A558	Y316-L553 HydrophobicContact CD1-CD2 3.84Å; Y316-L553 HydrophobicContact CD2-CB 4.39Å; Y316-L553 HydrophobicContact CD2-CD1 4.4Å; Y316-L553 HydrophobicContact CD2-CD2 4.2Å; Y316-L553 HydrophobicContact CE1-CB 4.19Å; Y316-L553 HydrophobicContact CE1-CD2 4.25Å; Y316-L553 WeakPolarHBondContact CE1-O 3.38Å; Y316-L553 HydrophobicContact CE2-CB 4Å; Y316-L553 HydrophobicContact CG-CD2 3.82Å; Y316-L553 VanDerWaalsContact CZ-O 3.32Å; Y316-L553 PolarHBondContact OH-O 2.99Å; V357-L553 HydrophobicContact CB-CD1 4.49Å; P358-L553 HydrophobicContact CG-CD1 4.41Å; V359-L553 HydrophobicContact CG2-CD1 3.68Å; V359-L553 HydrophobicContact CG2-CD2 4.21Å; L522-L553 HydrophobicContact CD2-CD2 4.03Å; L549-L553 VanDerWaalsContact O-CG 3.28Å; L549-L553 WeakPolarHBondContact O-CG 3.35Å; L549-L553 PolarHBondContact O-N 3.36Å; R550-L553 PolarHBondContact O-N 3.46Å; L553-S555 VanDerWaalsContact C-N 3.3Å; L553-S555 PolarHBondContact O-N 3.3Å; L553-A558 HydrophobicContact CD2-CB 3.94Å
554	S	84	Confident	83.8	Confident	59.5 Å²	59.5	35.4 Å²	35.4	42%	0.416	19%	0.188	S	C	.	.	H	α-helix	trans	-74.9	-17.1	-179.4	74.9	0	0	0	0	114.9	R550 L551 A552 G556	R550-S554 WeakPolarHBondContact O-CB 3.38Å; R550-S554 PolarHBondContact O-N 3.42Å; R550-S554 PolarHBondContact O-OG 2.52Å; L551-S554 WeakPolarHBondContact CA-OG 3.34Å; L551-S554 CarbonylContact O-C 3.53Å; L551-S554 PolarHBondContact O-N 3.03Å; L551-S554 PolarHBondContact O-OG 3.25Å; A552-S554 VanDerWaalsContact C-N 3.33Å; A552-S554 PolarHBondContact O-N 3.12Å; S554-G556 PolarHBondContact O-N 3.11Å; S554-G556 VanDerWaalsContact O-N 3.12Å
555	S	82.4	Confident	82.1	Confident	6.5 Å²	6.5	37.6 Å²	37.6	5%	0.045	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.3	-172.9	70.1	0	0	0	0	115.3	I301 L551 A552 L553 M557	I301-S555 WeakPolarHBondContact CG2-O 3.48Å; L551-S555 PolarHBondContact O-N 3.06Å; A552-S555 WeakPolarHBondContact O-CB 3.39Å; A552-S555 PolarHBondContact O-N 2.72Å; A552-S555 PolarHBondContact O-OG 3.02Å; L553-S555 VanDerWaalsContact C-N 3.3Å; L553-S555 PolarHBondContact O-N 3.3Å; S555-M557 WeakPolarHBondContact OG-CB 3.31Å; S555-M557 WeakPolarHBondContact OG-CE 3.11Å; S555-M557 WeakPolarHBondContact OG-CG 3.32Å; S555-M557 PolarHBondContact OG-N 3.07Å; S555-M557 VanDerWaalsContact OG-N 3.13Å
556	G	78.5	Confident	79.6	Confident	12.5 Å²	12.5	41.9 Å²	41.9	13%	0.129	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-13.1	-168.2	0	0	0	0	0	114.1	S554 A558 D559	S554-G556 PolarHBondContact O-N 3.11Å; S554-G556 VanDerWaalsContact O-N 3.12Å; G556-A558 VanDerWaalsContact C-N 3.27Å; G556-A558 PolarHBondContact O-N 3.07Å; G556-D559 PolarHBondContact O-N 3.44Å
557	M	81.7	Confident	77.4	Confident	1.5 Å²	1.5	45.7 Å²	45.7	1%	0.007	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-33	176.5	-125.6	-173.4	-77.2	0	0	113.4	T296 I301 D488 I490 C491 F527 S555 R585	T296-M557 HydrophobicContact CG2-SD 3.78Å; I301-M557 HydrophobicContact CD1-CG 3.55Å; I301-M557 HydrophobicContact CD1-SD 3.97Å; I301-M557 HydrophobicContact CG2-CG 4.39Å; D488-M557 HydrophobicContact CB-CE 3.79Å; D488-M557 HydrophobicContact CB-SD 4.37Å; I490-M557 HydrophobicContact CG2-CG 3.77Å; I490-M557 HydrophobicContact CG2-SD 4.2Å; C491-M557 PolarHBondContact SG-O 2.99Å; C491-M557 VanDerWaalsContact SG-O 3.38Å; F527-M557 HydrophobicContact CE2-CE 4.09Å; S555-M557 WeakPolarHBondContact OG-CB 3.31Å; S555-M557 WeakPolarHBondContact OG-CE 3.11Å; S555-M557 WeakPolarHBondContact OG-CG 3.32Å; S555-M557 PolarHBondContact OG-N 3.07Å; S555-M557 VanDerWaalsContact OG-N 3.13Å; M557-R585 VanDerWaalsContact CG-NH1 3.29Å; M557-R585 PolarHBondContact O-NH1 3.28Å
558	A	87.2	Confident	75	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	7.9	-173.1	0	0	0	0	0	114	Y316 I490 L553 G556 C560 L561	Y316-A558 HydrophobicContact CD1-CB 3.86Å; Y316-A558 HydrophobicContact CE1-CB 3.84Å; I490-A558 HydrophobicContact CG2-CB 4.42Å; L553-A558 HydrophobicContact CD2-CB 3.94Å; G556-A558 VanDerWaalsContact C-N 3.27Å; G556-A558 PolarHBondContact O-N 3.07Å; A558-C560 PolarHBondContact O-N 3.1Å; A558-C560 VanDerWaalsContact O-N 3.09Å; A558-L561 HydrophobicContact CB-CD1 4.27Å; A558-L561 WeakPolarHBondContact O-CB 3.21Å; A558-L561 WeakPolarHBondContact O-CG 3.48Å; A558-L561 PolarHBondContact O-N 3.13Å
559	D	83.2	Confident	72.7	Confident	32 Å²	32	56.3 Å²	56.3	17%	0.171	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.6	-18.5	-171.3	-80.9	3.3	0	0	0	113.7	R314 G556 L561 L562 I565	R314-D559 IonicContact NH1-OD1 3.21Å; G556-D559 PolarHBondContact O-N 3.44Å; D559-L561 VanDerWaalsContact C-N 3.25Å; D559-L561 PolarHBondContact O-N 2.87Å; D559-L562 HydrophobicContact CB-CD1 4.32Å; D559-L562 PolarHBondContact O-N 2.9Å; D559-I565 WeakPolarHBondContact O-CD1 3.03Å
560	C	83.6	Confident	70.2	Confident	65.5 Å²	65.5	62.8 Å²	62.8	44%	0.443	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.7	174.3	75.5	0	0	0	0	114	C491 A558 L562	C491-C560 VanDerWaalsContact CA-SG 3.55Å; C491-C560 HydrophobicContact CB-CB 3.78Å; C491-C560 WeakPolarHBondContact CB-SG 3.16Å; C491-C560 WeakPolarHBondContact SG-CB 3.33Å; C491-C560 CovalentContact SG-SG 2.03Å; C491-C560 PolarHBondContact SG-SG 3.42Å; A558-C560 PolarHBondContact O-N 3.1Å; A558-C560 VanDerWaalsContact O-N 3.09Å; C560-L562 VanDerWaalsContact C-N 3.29Å; C560-L562 PolarHBondContact O-N 3.16Å
561	L	87.4	Confident	67.9	Low	3.5 Å²	3.5	60 Å²	60	2%	0.018	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-83.4	-2.1	-175.6	-53.4	177.4	0	0	0	113.4	Y316 T317 I318 D467 I490 L522 A558 D559 Q563	Y316-L561 HydrophobicContact CD1-CB 4.17Å; T317-L561 PolarHBondContact N-O 3.47Å; T317-L561 PolarHBondContact OG1-O 2.85Å; I318-L561 HydrophobicContact CD1-CD1 4.34Å; I318-L561 HydrophobicContact CG1-CD1 3.72Å; I318-L561 HydrophobicContact CG1-CD2 4.31Å; D467-L561 HydrophobicContact CB-CD2 3.85Å; I490-L561 HydrophobicContact CD1-CD1 4.14Å; I490-L561 HydrophobicContact CD1-CD2 4.2Å; I490-L561 HydrophobicContact CG1-CD1 3.92Å; I490-L561 HydrophobicContact CG1-CD2 4.41Å; I490-L561 HydrophobicContact CG1-CG 4.35Å; L522-L561 HydrophobicContact CD2-CD1 4.06Å; A558-L561 HydrophobicContact CB-CD1 4.27Å; A558-L561 WeakPolarHBondContact O-CB 3.21Å; A558-L561 WeakPolarHBondContact O-CG 3.48Å; A558-L561 PolarHBondContact O-N 3.13Å; D559-L561 VanDerWaalsContact C-N 3.25Å; D559-L561 PolarHBondContact O-N 2.87Å; L561-Q563 PolarHBondContact O-N 3.2Å
562	L	82.8	Confident	65.6	Low	14 Å²	14	64.4 Å²	64.4	7%	0.073	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-84.4	104.6	-172.1	-68.2	171.8	0	0	0	111.4	V310 R314 Y316 D559 C560 N564 I565	V310-L562 HydrophobicContact CG2-CD1 4.46Å; R314-L562 HydrophobicContact CB-CD2 3.93Å; R314-L562 HydrophobicContact CG-CD2 4.33Å; Y316-L562 HydrophobicContact CD1-CD2 3.81Å; Y316-L562 HydrophobicContact CD1-CG 4.09Å; Y316-L562 HydrophobicContact CD2-CD2 4.09Å; Y316-L562 HydrophobicContact CE1-CD1 4.25Å; Y316-L562 HydrophobicContact CE1-CD2 3.67Å; Y316-L562 HydrophobicContact CE1-CG 3.89Å; Y316-L562 HydrophobicContact CE2-CD2 3.94Å; Y316-L562 HydrophobicContact CG-CD2 4.02Å; D559-L562 HydrophobicContact CB-CD1 4.32Å; D559-L562 PolarHBondContact O-N 2.9Å; C560-L562 VanDerWaalsContact C-N 3.29Å; C560-L562 PolarHBondContact O-N 3.16Å; L562-N564 PolarHBondContact O-N 3.27Å; L562-I565 HydrophobicContact CB-CD1 3.86Å; L562-I565 HydrophobicContact CB-CG1 4.11Å; L562-I565 HydrophobicContact CD1-CD1 4.1Å; L562-I565 HydrophobicContact CG-CD1 4.47Å; L562-I565 PolarHBondContact O-N 2.84Å
563	Q	63.1	Low	63.5	Low	123 Å²	123	67.8 Å²	67.8	58%	0.575	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	31.6	-174.6	-108.5	-178.7	35.6	0	0	115	T317 L561	T317-Q563 HydrophobicContact CG2-CB 4.33Å; T317-Q563 HydrophobicContact CG2-CG 4.47Å; T317-Q563 PolarHBondContact OG1-NE2 3.24Å; L561-Q563 PolarHBondContact O-N 3.2Å
564	N	52.1	Low	61.8	Low	158 Å²	158	70.2 Å²	70.2	85%	0.845	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	-1.8	166.4	-89.4	-38.4	0	0	0	113.4	L562 A566	L562-N564 PolarHBondContact O-N 3.27Å; N564-A566 PolarHBondContact O-N 2.87Å
565	I	50.1	Low	60.6	Low	47 Å²	47	72.8 Å²	72.8	24%	0.241	40%	0.402	C	S	.	.			trans	-76.6	100.9	172.3	-55	176.6	0	0	0	108.1	V308 D559 L562 V567	V308-I565 HydrophobicContact CB-CD1 4.23Å; V308-I565 HydrophobicContact CG1-CD1 4.46Å; V308-I565 HydrophobicContact CG1-CG1 4.22Å; V308-I565 HydrophobicContact CG2-CD1 3.81Å; V308-I565 HydrophobicContact CG2-CG1 4.13Å; V308-I565 HydrophobicContact CG2-CG2 4.32Å; D559-I565 WeakPolarHBondContact O-CD1 3.03Å; L562-I565 HydrophobicContact CB-CD1 3.86Å; L562-I565 HydrophobicContact CB-CG1 4.11Å; L562-I565 HydrophobicContact CD1-CD1 4.1Å; L562-I565 HydrophobicContact CG-CD1 4.47Å; L562-I565 PolarHBondContact O-N 2.84Å; I565-V567 VanDerWaalsContact C-N 3.29Å; I565-V567 HydrophobicContact CB-CG2 4.36Å; I565-V567 HydrophobicContact CG2-CG2 3.97Å; I565-V567 WeakPolarHBondContact O-CG2 3.32Å; I565-V567 PolarHBondContact O-N 3.3Å
566	A	40.1	Very low	60.1	Low	91 Å²	91	73.4 Å²	73.4	75%	0.752	40%	0.404	S	S	*	.			trans	-63.8	94.3	157.8	0	0	0	0	0	107.4	N564 T568	N564-A566 PolarHBondContact O-N 2.87Å; A566-T568 VanDerWaalsContact C-N 3.29Å; A566-T568 PolarHBondContact O-N 3.27Å
567	V	43.9	Very low	60	Low	89 Å²	89	76 Å²	76	54%	0.539	42%	0.418	S	S	.	.			trans	-63.4	92.4	-170.9	-179.1	0	0	0	0	110.6	I565 K569 S571	I565-V567 VanDerWaalsContact C-N 3.29Å; I565-V567 HydrophobicContact CB-CG2 4.36Å; I565-V567 HydrophobicContact CG2-CG2 3.97Å; I565-V567 WeakPolarHBondContact O-CG2 3.32Å; I565-V567 PolarHBondContact O-N 3.3Å; V567-K569 PolarHBondContact O-N 3.45Å; V567-S571 WeakPolarHBondContact CG1-OG 3.45Å
568	T	37.8	Very low	60.1	Low	100 Å²	100	77.8 Å²	77.8	61%	0.613	43%	0.43	S	S	*	.			trans	-57.5	128.8	160.8	50.3	0	0	0	0	107.3	A566 D570 S571	A566-T568 VanDerWaalsContact C-N 3.29Å; A566-T568 PolarHBondContact O-N 3.27Å; T568-D570 PolarHBondContact O-N 2.86Å; T568-S571 PolarHBondContact O-N 3.13Å; T568-S571 PolarHBondContact O-OG 2.88Å
569	K	41.7	Very low	59.8	Low	192 Å²	192	78.8 Å²	78.8	84%	0.835	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-0.4	-168.6	-65.2	177	178.7	174.6	0	114.8	V567	V567-K569 PolarHBondContact O-N 3.45Å
570	D	39.7	Very low	59.7	Low	136.5 Å²	136.5	80.6 Å²	80.6	73%	0.73	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-85.4	-5.4	175.5	-54	-53.5	0	0	0	113.3	T568 K572	T568-D570 PolarHBondContact O-N 2.86Å; D570-K572 PolarHBondContact O-N 3.06Å
571	S	40	Very low	59.5	Low	57.5 Å²	57.5	79.3 Å²	79.3	40%	0.402	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-67.5	42.3	166.2	71.4	0	0	0	0	112.1	V567 T568 S573	V567-S571 WeakPolarHBondContact CG1-OG 3.45Å; T568-S571 PolarHBondContact O-N 3.13Å; T568-S571 PolarHBondContact O-OG 2.88Å; S571-S573 PolarHBondContact O-N 3.41Å; S571-S573 PolarHBondContact O-OG 3.41Å
572	K	41.4	Very low	59.2	Low	160.5 Å²	160.5	85.1 Å²	85.1	70%	0.698	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	34.7	163.8	-72.9	-172.9	172.1	-172.2	0	112.6	D570 F574 I575	D570-K572 PolarHBondContact O-N 3.06Å; K572-F574 VanDerWaalsContact C-N 3.26Å; K572-F574 PolarHBondContact O-N 3.02Å; K572-I575 HydrophobicContact CB-CD1 4.04Å; K572-I575 HydrophobicContact CD-CD1 4.11Å; K572-I575 HydrophobicContact CG-CD1 4.06Å; K572-I575 WeakPolarHBondContact O-CG1 3.36Å
573	S	44.2	Very low	59.2	Low	71 Å²	71	86.2 Å²	86.2	50%	0.497	48%	0.48	S	S	.	.			trans	-67	50	171.7	52.8	0	0	0	0	110.5	R304 S571 I575	R304-S573 PolarHBondContact NH1-O 3.06Å; S571-S573 PolarHBondContact O-N 3.41Å; S571-S573 PolarHBondContact O-OG 3.41Å; S573-I575 PolarHBondContact O-N 3.09Å
574	F	52.5	Low	60.3	Low	54.5 Å²	54.5	81.4 Å²	81.4	24%	0.239	46%	0.459	C	S	.	.			trans	-24.9	79.4	162.3	-65.2	-73.8	0	0	0	112.2	I301 K572 D576 R585	I301-F574 HydrophobicContact CD1-CE1 4.06Å; I301-F574 HydrophobicContact CG1-CE1 4.2Å; I301-F574 HydrophobicContact CG2-CE1 4.18Å; I301-F574 HydrophobicContact CG2-CZ 3.81Å; K572-F574 VanDerWaalsContact C-N 3.26Å; K572-F574 PolarHBondContact O-N 3.02Å; F574-D576 WeakPolarHBondContact CA-OD1 3.03Å; F574-D576 WeakPolarHBondContact CB-OD1 3.23Å; F574-D576 WeakPolarHBondContact CD1-OD1 3.38Å; F574-D576 PolarHBondContact O-N 3.05Å; F574-D576 VanDerWaalsContact O-N 3.13Å; F574-R585 VanDerWaalsContact CB-NH2 3.26Å
575	I	58.4	Low	62	Low	113 Å²	113	74.6 Å²	74.6	58%	0.579	42%	0.421	S	S	*	.			trans	-81.3	55.2	169.8	-52.5	-178.2	0	0	0	108.1	K572 S573 T577	K572-I575 HydrophobicContact CB-CD1 4.04Å; K572-I575 HydrophobicContact CD-CD1 4.11Å; K572-I575 HydrophobicContact CG-CD1 4.06Å; K572-I575 WeakPolarHBondContact O-CG1 3.36Å; S573-I575 PolarHBondContact O-N 3.09Å; I575-T577 VanDerWaalsContact CG2-OG1 3.26Å; I575-T577 WeakPolarHBondContact CG2-OG1 3.4Å; I575-T577 VanDerWaalsContact O-CB 3.28Å; I575-T577 WeakPolarHBondContact O-CB 3.24Å; I575-T577 PolarHBondContact O-N 3.13Å; I575-T577 VanDerWaalsContact O-N 3.07Å; I575-T577 PolarHBondContact O-OG1 3.18Å
576	D	71.9	Confident	63.7	Low	20 Å²	20	72.6 Å²	72.6	11%	0.107	41%	0.412	C	S	.	.			trans	-72	93.8	-174.7	-59.7	-6.4	0	0	0	109.1	T492 R494 F574 D584 R585	T492-D576 HydrophobicContact CG2-CB 4.31Å; T492-D576 VanDerWaalsContact CG2-OD2 3.28Å; T492-D576 WeakPolarHBondContact CG2-OD2 3.29Å; R494-D576 PolarHBondContact NH2-O 3.33Å; R494-D576 VanDerWaalsContact NH2-O 3.14Å; F574-D576 WeakPolarHBondContact CA-OD1 3.03Å; F574-D576 WeakPolarHBondContact CB-OD1 3.23Å; F574-D576 WeakPolarHBondContact CD1-OD1 3.38Å; F574-D576 PolarHBondContact O-N 3.05Å; F574-D576 VanDerWaalsContact O-N 3.13Å; D576-D584 WeakPolarHBondContact CA-OD2 3.33Å; D576-D584 HydrophobicContact CB-CB 3.92Å; D576-R585 IonicContact OD2-CZ 3.52Å; D576-R585 IonicContact OD2-NE 2.98Å; D576-R585 PolarHBondContact OD2-NE 2.89Å; D576-R585 IonicContact OD2-NH2 3.56Å; D576-R585 PolarHBondContact OD2-NH2 3.16Å
577	T	76.8	Confident	66	Low	67 Å²	67	68.4 Å²	68.4	41%	0.411	38%	0.377	S	S	.	.			trans	-133	88.6	-153.8	-54.8	0	0	0	0	113.6	I575 G579 N580 D584	I575-T577 VanDerWaalsContact CG2-OG1 3.26Å; I575-T577 WeakPolarHBondContact CG2-OG1 3.4Å; I575-T577 VanDerWaalsContact O-CB 3.28Å; I575-T577 WeakPolarHBondContact O-CB 3.24Å; I575-T577 PolarHBondContact O-N 3.13Å; I575-T577 VanDerWaalsContact O-N 3.07Å; I575-T577 PolarHBondContact O-OG1 3.18Å; T577-G579 PolarHBondContact O-N 3.16Å; T577-N580 VanDerWaalsContact O-CB 3.27Å; T577-N580 WeakPolarHBondContact O-CB 3.23Å; T577-N580 PolarHBondContact O-N 2.98Å; T577-N580 PolarHBondContact O-ND2 3.07Å; T577-N580 VanDerWaalsContact O-ND2 3.14Å; T577-D584 PolarHBondContact N-OD2 3.1Å
578	C	84.6	Confident	68.2	Low	38.5 Å²	38.5	64.1 Å²	64.1	26%	0.26	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38	123	168.7	179.9	0	0	0	0	114.3	E587 D590 C615	C578-E587 WeakPolarHBondContact CA-OE1 3.29Å; C578-E587 VanDerWaalsContact CB-OE1 3.31Å; C578-E587 WeakPolarHBondContact CB-OE1 3.46Å; C578-E587 PolarHBondContact N-OE1 3.17Å; C578-D590 VanDerWaalsContact CA-OD2 3.26Å; C578-D590 WeakPolarHBondContact CA-OD2 3.37Å; C578-C615 WeakPolarHBondContact CA-SG 3.41Å; C578-C615 HydrophobicContact CB-CB 3.65Å; C578-C615 WeakPolarHBondContact CB-SG 3.32Å; C578-C615 WeakPolarHBondContact SG-CB 3.3Å; C578-C615 PolarHBondContact SG-N 2.93Å; C578-C615 CovalentContact SG-SG 2.03Å; C578-C615 PolarHBondContact SG-SG 2.84Å
579	G	80.2	Confident	70.6	Confident	21.5 Å²	21.5	59.6 Å²	59.6	22%	0.222	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	7.8	-176.4	0	0	0	0	0	114.9	T577 D590 V593	T577-G579 PolarHBondContact O-N 3.16Å; G579-D590 VanDerWaalsContact C-OD1 3.22Å; G579-D590 VanDerWaalsContact CA-OD1 3.26Å; G579-D590 WeakPolarHBondContact CA-OD1 3.31Å; G579-D590 VanDerWaalsContact N-CG 3.32Å; G579-D590 PolarHBondContact N-OD1 3.12Å; G579-D590 PolarHBondContact N-OD2 3.3Å; G579-V593 PolarHBondContact O-N 3.31Å
580	N	82.4	Confident	72.8	Confident	69.5 Å²	69.5	51.4 Å²	51.4	37%	0.372	29%	0.289	S	S	.	.	S	Bend	trans	-90	-14.6	-176.7	71.1	18.8	0	0	0	114.5	T577 Q582 D584 D590	T577-N580 VanDerWaalsContact O-CB 3.27Å; T577-N580 WeakPolarHBondContact O-CB 3.23Å; T577-N580 PolarHBondContact O-N 2.98Å; T577-N580 PolarHBondContact O-ND2 3.07Å; T577-N580 VanDerWaalsContact O-ND2 3.14Å; N580-Q582 WeakPolarHBondContact OD1-CA 3.36Å; N580-Q582 WeakPolarHBondContact OD1-CB 3.42Å; N580-Q582 PolarHBondContact OD1-N 3.33Å; N580-Q582 PolarHBondContact OD1-O 3.33Å; N580-Q582 VanDerWaalsContact OD1-O 3.04Å; N580-D584 PolarHBondContact ND2-OD2 2.88Å; N580-D590 PolarHBondContact N-OD1 2.96Å; N580-D590 PolarHBondContact N-OD2 3.38Å; N580-D590 VanDerWaalsContact N-OD2 3.16Å; N580-D590 PolarHBondContact OD1-OD2 2.81Å
581	G	79.1	Confident	74.6	Confident	38 Å²	38	46.8 Å²	46.8	39%	0.392	27%	0.267	S	S	.	.	S	Bend	trans	94	0	-175.4	0	0	0	0	0	116.7	D590 V592	G581-D590 WeakPolarHBondContact CA-OD1 3.4Å; G581-D590 VanDerWaalsContact N-CG 3.28Å; G581-D590 PolarHBondContact N-OD1 3.06Å; G581-V592 VanDerWaalsContact CA-CG2 3.43Å
582	Q	81.1	Confident	76.1	Confident	126 Å²	126	48.4 Å²	48.4	59%	0.589	27%	0.274	S	S	*	.	S	Bend	trans	-123.2	121.6	-176.5	-177.7	-175.9	-73.6	0	0	108.6	N580 D584 D590	N580-Q582 WeakPolarHBondContact OD1-CA 3.36Å; N580-Q582 WeakPolarHBondContact OD1-CB 3.42Å; N580-Q582 PolarHBondContact OD1-N 3.33Å; N580-Q582 PolarHBondContact OD1-O 3.33Å; N580-Q582 VanDerWaalsContact OD1-O 3.04Å; Q582-D584 PolarHBondContact NE2-OD1 3.09Å; Q582-D584 PolarHBondContact O-N 3.09Å; Q582-D590 WeakPolarHBondContact O-CB 3.39Å
583	I	82.9	Confident	77.1	Confident	37 Å²	37	44.1 Å²	44.1	19%	0.19	26%	0.261	C	S	.	.			trans	-70.2	103.1	177.4	-63.1	170.9	0	0	0	108.2	R294 E587 D590	R294-I583 HydrophobicContact CG-CG2 4.26Å; I583-E587 HydrophobicContact CG2-CB 3.98Å; I583-D590 HydrophobicContact CG1-CB 4.14Å
584	D	85.2	Confident	77.5	Confident	22.5 Å²	22.5	50.3 Å²	50.3	12%	0.12	27%	0.273	C	S	.	.			trans	-87.6	-177.3	180	-68	-38.6	0	0	0	111.4	D576 T577 N580 Q582 G586 E587	D576-D584 WeakPolarHBondContact CA-OD2 3.33Å; D576-D584 HydrophobicContact CB-CB 3.92Å; T577-D584 PolarHBondContact N-OD2 3.1Å; N580-D584 PolarHBondContact ND2-OD2 2.88Å; Q582-D584 PolarHBondContact NE2-OD1 3.09Å; Q582-D584 PolarHBondContact O-N 3.09Å; D584-G586 PolarHBondContact O-N 3.1Å; D584-E587 WeakPolarHBondContact CA-OE2 3.2Å; D584-E587 VanDerWaalsContact CB-OE2 3.3Å; D584-E587 WeakPolarHBondContact CB-OE2 3.42Å; D584-E587 PolarHBondContact N-OE2 2.88Å; D584-E587 VanDerWaalsContact O-CB 3.26Å; D584-E587 WeakPolarHBondContact O-CB 3.48Å; D584-E587 PolarHBondContact O-N 3.12Å
585	R	87.2	Confident	77.4	Confident	15 Å²	15	59 Å²	59	6%	0.057	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	125.6	-175.8	-60.7	-176.2	-62.5	143.7	5.8	111.6	T296 D488 I490 T492 R494 M557 F574 D576	T296-R585 HydrophobicContact CG2-CG 3.77Å; D488-R585 PolarHBondContact O-NH1 2.9Å; I490-R585 PolarHBondContact O-NH1 2.71Å; I490-R585 VanDerWaalsContact O-NH1 3.09Å; I490-R585 PolarHBondContact O-NH2 3.1Å; T492-R585 HydrophobicContact CG2-CB 4.38Å; T492-R585 VanDerWaalsContact CG2-NH2 3.34Å; R494-R585 PolarHBondContact NH1-O 3.1Å; R494-R585 PolarHBondContact NH2-O 2.97Å; M557-R585 VanDerWaalsContact CG-NH1 3.29Å; M557-R585 PolarHBondContact O-NH1 3.28Å; F574-R585 VanDerWaalsContact CB-NH2 3.26Å; D576-R585 IonicContact OD2-CZ 3.52Å; D576-R585 IonicContact OD2-NE 2.98Å; D576-R585 PolarHBondContact OD2-NE 2.89Å; D576-R585 IonicContact OD2-NH2 3.56Å; D576-R585 PolarHBondContact OD2-NH2 3.16Å
586	G	85.9	Confident	76.5	Confident	5 Å²	5	58.6 Å²	58.6	5%	0.052	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	37.5	-179.5	0	0	0	0	0	114.1	I486 P487 R494 D584	I486-G586 WeakPolarHBondContact CG2-O 3.42Å; P487-G586 WeakPolarHBondContact O-CA 3.33Å; R494-G586 PolarHBondContact NH1-O 3.12Å; D584-G586 PolarHBondContact O-N 3.1Å
587	E	89.7	Confident	75.1	Confident	1.5 Å²	1.5	64.9 Å²	64.9	1%	0.007	34%	0.34	C	S	.	.			trans	-124.4	151.4	175.4	-103	156.4	-163	0	0	110.7	R494 C578 I583 D584 C615	R494-E587 IonicContact CZ-OE1 3.13Å; R494-E587 IonicContact CZ-OE2 3.34Å; R494-E587 VanDerWaalsContact NE-CG 3.26Å; R494-E587 IonicContact NE-OE1 3.29Å; R494-E587 PolarHBondContact NE-OE1 2.97Å; R494-E587 VanDerWaalsContact NH1-CG 3.31Å; R494-E587 IonicContact NH1-OE1 3.4Å; R494-E587 PolarHBondContact NH1-OE1 3.26Å; R494-E587 VanDerWaalsContact NH1-OE1 3.12Å; R494-E587 IonicContact NH1-OE2 3.3Å; R494-E587 PolarHBondContact NH1-OE2 3.05Å; R494-E587 IonicContact NH2-OE1 3.51Å; R494-E587 PolarHBondContact NH2-OE1 2.78Å; R494-E587 IonicContact NH2-OE2 2.59Å; R494-E587 PolarHBondContact NH2-OE2 3.37Å; R494-E587 VanDerWaalsContact NH2-OE2 3.13Å; C578-E587 WeakPolarHBondContact CA-OE1 3.29Å; C578-E587 VanDerWaalsContact CB-OE1 3.31Å; C578-E587 WeakPolarHBondContact CB-OE1 3.46Å; C578-E587 PolarHBondContact N-OE1 3.17Å; I583-E587 HydrophobicContact CG2-CB 3.98Å; D584-E587 WeakPolarHBondContact CA-OE2 3.2Å; D584-E587 VanDerWaalsContact CB-OE2 3.3Å; D584-E587 WeakPolarHBondContact CB-OE2 3.42Å; D584-E587 PolarHBondContact N-OE2 2.88Å; D584-E587 VanDerWaalsContact O-CB 3.26Å; D584-E587 WeakPolarHBondContact O-CB 3.48Å; D584-E587 PolarHBondContact O-N 3.12Å; E587-C615 HydrophobicContact CB-CB 4.08Å; E587-C615 HydrophobicContact CG-CB 3.5Å; E587-C615 WeakPolarHBondContact OE1-CB 3.44Å
588	E	89.2	Confident	72.8	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-107.1	-16.4	177.2	-64.6	-164.7	122.5	0	0	112.6	V291 F292 W293 K382 C615 L616 A617 T624	V291-E588 WeakPolarHBondContact CA-OE1 3.35Å; V291-E588 WeakPolarHBondContact CB-OE1 3.27Å; F292-E588 HydrophobicContact CB-CB 3.99Å; F292-E588 HydrophobicContact CB-CG 4.33Å; F292-E588 PolarHBondContact N-OE1 2.84Å; W293-E588 HydrophobicContact CD2-CG 4.02Å; W293-E588 HydrophobicContact CE3-CG 3.51Å; W293-E588 HydrophobicContact CH2-CG 4.07Å; W293-E588 HydrophobicContact CZ3-CG 3.54Å; K382-E588 WeakPolarHBondContact CE-OE2 3.31Å; K382-E588 VanDerWaalsContact NZ-CD 3.26Å; K382-E588 IonicContact NZ-OE1 3.34Å; K382-E588 PolarHBondContact NZ-OE1 3.19Å; K382-E588 IonicContact NZ-OE2 3.58Å; K382-E588 PolarHBondContact NZ-OE2 2.94Å; E588-C615 PolarHBondContact N-O 3.23Å; E588-L616 HydrophobicContact CG-CD2 4.4Å; E588-A617 HydrophobicContact CB-CB 4.13Å; E588-A617 WeakPolarHBondContact OE2-CA 3.34Å; E588-A617 WeakPolarHBondContact OE2-CB 3.32Å; E588-A617 PolarHBondContact OE2-N 3.19Å; E588-T624 PolarHBondContact O-OG1 3.36Å
589	C	88.6	Confident	70.3	Confident	5.5 Å²	5.5	75.4 Å²	75.4	4%	0.037	38%	0.383	C	S	.	.			trans	-172.6	136.4	-174.4	47.1	0	0	0	0	110	C610 C615 T624	C589-C610 VanDerWaalsContact C-SG 3.58Å; C589-C610 HydrophobicContact CB-CB 3.72Å; C589-C610 WeakPolarHBondContact CB-SG 3.38Å; C589-C610 PolarHBondContact O-SG 3.17Å; C589-C610 VanDerWaalsContact SG-CA 3.58Å; C589-C610 WeakPolarHBondContact SG-CA 3.37Å; C589-C610 WeakPolarHBondContact SG-CB 3.45Å; C589-C610 CovalentContact SG-SG 2.03Å; C589-C610 PolarHBondContact SG-SG 2.99Å; C589-C615 PolarHBondContact N-O 3Å; C589-C615 CarbonylContact O-C 3.49Å; C589-C615 WeakPolarHBondContact O-CA 3.39Å; C589-C615 WeakPolarHBondContact O-CB 3.47Å; C589-C615 PolarHBondContact O-SG 2.97Å; C589-C615 VanDerWaalsContact O-SG 3.41Å; C589-T624 HydrophobicContact CB-CG2 3.97Å
590	D	87.1	Confident	68	Low	19.5 Å²	19.5	78.5 Å²	78.5	10%	0.104	40%	0.401	C	S	.	.			trans	-125	111.5	167.1	-168.2	-51.2	0	0	0	109.7	C578 G579 N580 G581 Q582 I583	C578-D590 VanDerWaalsContact CA-OD2 3.26Å; C578-D590 WeakPolarHBondContact CA-OD2 3.37Å; G579-D590 VanDerWaalsContact C-OD1 3.22Å; G579-D590 VanDerWaalsContact CA-OD1 3.26Å; G579-D590 WeakPolarHBondContact CA-OD1 3.31Å; G579-D590 VanDerWaalsContact N-CG 3.32Å; G579-D590 PolarHBondContact N-OD1 3.12Å; G579-D590 PolarHBondContact N-OD2 3.3Å; N580-D590 PolarHBondContact N-OD1 2.96Å; N580-D590 PolarHBondContact N-OD2 3.38Å; N580-D590 VanDerWaalsContact N-OD2 3.16Å; N580-D590 PolarHBondContact OD1-OD2 2.81Å; G581-D590 WeakPolarHBondContact CA-OD1 3.4Å; G581-D590 VanDerWaalsContact N-CG 3.28Å; G581-D590 PolarHBondContact N-OD1 3.06Å; Q582-D590 WeakPolarHBondContact O-CB 3.39Å; I583-D590 HydrophobicContact CG1-CB 4.14Å
591	P	78.5	Confident	65.6	Low	40.5 Å²	40.5	80.4 Å²	80.4	26%	0.263	42%	0.42	S	S	.	.			trans	-90.6	119	173.2	32.6	-26.9	0	0	0	111	V593 C610 L612	P591-V593 WeakPolarHBondContact O-CG2 3.26Å; P591-V593 PolarHBondContact O-N 2.83Å; P591-C610 HydrophobicContact CG-CB 4.32Å; P591-L612 HydrophobicContact CB-CD2 4.3Å; P591-L612 HydrophobicContact CG-CD2 3.45Å; P591-L612 VanDerWaalsContact CG-CD2 3.45Å
592	V	70.9	Confident	63.3	Low	91 Å²	91	85.9 Å²	85.9	55%	0.552	44%	0.441	S	S	*	.			trans	-51.2	108.8	174.4	-177.4	0	0	0	0	110.6	G581 R594	G581-V592 VanDerWaalsContact CA-CG2 3.43Å; V592-R594 VanDerWaalsContact C-N 3.26Å; V592-R594 HydrophobicContact CG1-CG 3.89Å; V592-R594 PolarHBondContact O-N 3.07Å
593	V	63.1	Low	61.1	Low	70.5 Å²	70.5	87.4 Å²	87.4	43%	0.427	45%	0.445	S	S	.	.			trans	-78.8	75.2	178.1	-172.9	0	0	0	0	109.9	G579 P591 R595	G579-V593 PolarHBondContact O-N 3.31Å; P591-V593 WeakPolarHBondContact O-CG2 3.26Å; P591-V593 PolarHBondContact O-N 2.83Å; V593-R595 HydrophobicContact CG1-CG 4.44Å; V593-R595 PolarHBondContact O-N 3.19Å
594	R	53.1	Low	58.9	Low	200 Å²	200	91.4 Å²	91.4	76%	0.755	47%	0.472	S	S	*	.			trans	-63.6	98.5	168.4	-70.4	-168.6	178.1	-175.2	0.6	108.8	V592 T596 L597	V592-R594 VanDerWaalsContact C-N 3.26Å; V592-R594 HydrophobicContact CG1-CG 3.89Å; V592-R594 PolarHBondContact O-N 3.07Å; R594-T596 PolarHBondContact O-N 3.23Å; R594-L597 PolarHBondContact O-N 2.87Å
595	R	49.9	Very low	56.7	Low	237 Å²	237	96.9 Å²	96.9	89%	0.894	50%	0.501	S	S	*	.	S	Bend	trans	-62.5	5.3	176	-64.2	-170.6	-179.5	115	5.6	114.7	V593	V593-R595 HydrophobicContact CG1-CG 4.44Å; V593-R595 PolarHBondContact O-N 3.19Å
596	T	39.6	Very low	54.5	Low	106 Å²	106	101 Å²	101	65%	0.65	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	37.7	-174.7	50.2	0	0	0	0	112.5	R594	R594-T596 PolarHBondContact O-N 3.23Å
597	L	41.5	Very low	52.9	Low	151.5 Å²	151.5	105.6 Å²	105.6	79%	0.793	55%	0.551	S	S	*	*			trans	-136.5	106.9	148.7	-126	72.4	0	0	0	111.9	R594	R594-L597 PolarHBondContact O-N 2.87Å
598	S	29.9	Very low	51.9	Low	96.5 Å²	96.5	107.9 Å²	107.9	68%	0.675	57%	0.567	S	S	*	*			trans	-24.5	134.1	160.7	54.6	0	0	0	0	115.6	S600	S598-S600 PolarHBondContact O-N 3.22Å; S598-S600 VanDerWaalsContact O-N 3.11Å
599	Y	31.3	Very low	51.7	Low	229 Å²	229	108.8 Å²	108.8	90%	0.898	57%	0.574	S	S	*	*			trans	-5.3	92.2	144.5	-84.3	-105.9	0	0	0	113.1
600	S	31.1	Very low	51.6	Low	86.5 Å²	86.5	109.1 Å²	109.1	61%	0.605	58%	0.576	S	S	*	*			trans	-100	97.5	154.1	-176.3	0	0	0	0	107.6	S598 N602	S598-S600 PolarHBondContact O-N 3.22Å; S598-S600 VanDerWaalsContact O-N 3.11Å; S600-N602 PolarHBondContact O-N 3.14Å
601	S	32.5	Very low	51.4	Low	109.667 Å²	109.667	110.7 Å²	110.7	77%	0.767	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	26.7	-172.1	59.7	0	0	0	0	114.1
602	N	31.1	Very low	51.4	Low	153.667 Å²	153.667	112.4 Å²	112.4	82%	0.822	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	22.4	-173.8	-100.3	-5.6	0	0	0	113.7	S600	S600-N602 PolarHBondContact O-N 3.14Å
603	F	34.8	Very low	51.7	Low	156.667 Å²	156.667	112.1 Å²	112.1	69%	0.687	59%	0.586	S	S	*	*	S	Bend	trans	-124	128.5	164.1	-128.5	-90.7	0	0	0	109.5	N605 P606	F603-N605 PolarHBondContact O-N 2.95Å; F603-P606 HydrophobicContact CD1-CB 3.95Å; F603-P606 HydrophobicContact CD1-CG 3.64Å; F603-P606 HydrophobicContact CE1-CB 4.11Å; F603-P606 HydrophobicContact CE1-CG 4.17Å; F603-P606 HydrophobicContact CG-CG 4.33Å
604	T	35.8	Very low	52.6	Low	122.667 Å²	122.667	109.8 Å²	109.8	75%	0.753	57%	0.572	S	S	*	*			trans	-67.3	103.9	180	34.2	0	0	0	0	110.6	P606 Q631	T604-P606 VanDerWaalsContact O-CD 3.27Å; T604-P606 WeakPolarHBondContact O-CD 3.31Å; T604-Q631 PolarHBondContact OG1-NE2 3.03Å
605	N	39	Very low	54.3	Low	137 Å²	137	100.2 Å²	100.2	73%	0.733	54%	0.536	S	S	*	.			trans	-10.7	91.7	-171.5	-78.1	-27.9	0	0	0	115.1	F603 M607 S608	F603-N605 PolarHBondContact O-N 2.95Å; N605-M607 PolarHBondContact O-N 3.38Å; N605-M607 VanDerWaalsContact O-N 3.17Å; N605-S608 WeakPolarHBondContact O-CB 3.34Å; N605-S608 PolarHBondContact O-N 3.11Å; N605-S608 PolarHBondContact O-OG 3.3Å
606	P	41.9	Very low	56.1	Low	100.333 Å²	100.333	90.1 Å²	90.1	65%	0.652	50%	0.5	S	S	*	.	S	Bend	trans	-71.1	37.2	174.1	30.6	-34.4	0	0	0	111.7	F603 T604 S608	F603-P606 HydrophobicContact CD1-CB 3.95Å; F603-P606 HydrophobicContact CD1-CG 3.64Å; F603-P606 HydrophobicContact CE1-CB 4.11Å; F603-P606 HydrophobicContact CE1-CG 4.17Å; F603-P606 HydrophobicContact CG-CG 4.33Å; T604-P606 VanDerWaalsContact O-CD 3.27Å; T604-P606 WeakPolarHBondContact O-CD 3.31Å; P606-S608 PolarHBondContact O-N 2.95Å; P606-S608 VanDerWaalsContact O-N 3.13Å
607	M	52	Low	58.4	Low	103 Å²	103	85.5 Å²	85.5	51%	0.507	47%	0.472	S	S	.	.			trans	-70.2	37.7	177.8	-72.4	-178.8	129.5	0	0	113.8	N605 C609 L612 W620 C632	N605-M607 PolarHBondContact O-N 3.38Å; N605-M607 VanDerWaalsContact O-N 3.17Å; M607-C609 PolarHBondContact O-N 3.25Å; M607-C609 VanDerWaalsContact O-N 3.12Å; M607-L612 HydrophobicContact CE-CD1 3.86Å; M607-L612 HydrophobicContact CE-CD2 4.28Å; M607-L612 HydrophobicContact CG-CD1 4.43Å; M607-L612 HydrophobicContact CG-CD2 4.44Å; M607-L612 HydrophobicContact SD-CD1 3.98Å; M607-W620 HydrophobicContact CB-CZ2 4.29Å; M607-W620 HydrophobicContact CE-CB 4.24Å; M607-W620 HydrophobicContact CE-CD2 3.36Å; M607-W620 VanDerWaalsContact CE-CE2 3.43Å; M607-W620 HydrophobicContact CE-CE3 3.87Å; M607-W620 HydrophobicContact CE-CG 3.53Å; M607-W620 HydrophobicContact CE-CH2 4.42Å; M607-W620 HydrophobicContact CE-CZ2 4Å; M607-W620 HydrophobicContact CE-CZ3 4.36Å; M607-W620 HydrophobicContact CG-CZ2 3.99Å; M607-C632 PolarHBondContact O-SG 2.85Å
608	S	69.2	Low	60.4	Low	48.6667 Å²	48.6667	79.5 Å²	79.5	34%	0.34	44%	0.443	S	S	.	.			trans	-83.7	8.1	179.6	88.2	0	0	0	0	113	N605 P606 C610 S618 W620 C632	N605-S608 WeakPolarHBondContact O-CB 3.34Å; N605-S608 PolarHBondContact O-N 3.11Å; N605-S608 PolarHBondContact O-OG 3.3Å; P606-S608 PolarHBondContact O-N 2.95Å; P606-S608 VanDerWaalsContact O-N 3.13Å; S608-C610 WeakPolarHBondContact CB-O 3.37Å; S608-C610 PolarHBondContact O-N 2.98Å; S608-C610 PolarHBondContact OG-N 3.38Å; S608-C610 PolarHBondContact OG-O 3.22Å; S608-S618 WeakPolarHBondContact O-CB 3.25Å; S608-S618 PolarHBondContact O-OG 2.91Å; S608-W620 WeakPolarHBondContact O-CZ2 3.26Å; S608-C632 PolarHBondContact OG-SG 3.47Å
609	C	84.8	Confident	62.7	Low	20 Å²	20	79.1 Å²	79.1	14%	0.135	44%	0.436	C	S	.	.	S	Bend	trans	-78.5	-22.4	-177.3	-45.3	0	0	0	0	113.3	M607 A617 S618 A621 T624 C632	M607-C609 PolarHBondContact O-N 3.25Å; M607-C609 VanDerWaalsContact O-N 3.12Å; C609-A617 CarbonylContact O-C 3.58Å; C609-A617 WeakPolarHBondContact O-CA 3.37Å; C609-S618 PolarHBondContact O-N 2.99Å; C609-A621 HydrophobicContact CB-CB 4.48Å; C609-T624 HydrophobicContact CB-CG2 4.29Å; C609-C632 WeakPolarHBondContact CA-SG 3.37Å; C609-C632 HydrophobicContact CB-CB 3.69Å; C609-C632 WeakPolarHBondContact CB-SG 3.38Å; C609-C632 PolarHBondContact N-SG 3.16Å; C609-C632 VanDerWaalsContact N-SG 3.38Å; C609-C632 WeakPolarHBondContact SG-CA 3.41Å; C609-C632 WeakPolarHBondContact SG-CB 3.26Å; C609-C632 PolarHBondContact SG-N 2.88Å; C609-C632 VanDerWaalsContact SG-N 3.37Å; C609-C632 CovalentContact SG-SG 2.03Å; C609-C632 PolarHBondContact SG-SG 3.31Å
610	C	86.7	Confident	65	Low	11.6667 Å²	11.6667	75.2 Å²	75.2	8%	0.079	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.3	-174.9	-163.3	0	0	0	0	110.9	C589 P591 S608 L612	C589-C610 VanDerWaalsContact C-SG 3.58Å; C589-C610 HydrophobicContact CB-CB 3.72Å; C589-C610 WeakPolarHBondContact CB-SG 3.38Å; C589-C610 PolarHBondContact O-SG 3.17Å; C589-C610 VanDerWaalsContact SG-CA 3.58Å; C589-C610 WeakPolarHBondContact SG-CA 3.37Å; C589-C610 WeakPolarHBondContact SG-CB 3.45Å; C589-C610 CovalentContact SG-SG 2.03Å; C589-C610 PolarHBondContact SG-SG 2.99Å; P591-C610 HydrophobicContact CG-CB 4.32Å; S608-C610 WeakPolarHBondContact CB-O 3.37Å; S608-C610 PolarHBondContact O-N 2.98Å; S608-C610 PolarHBondContact OG-N 3.38Å; S608-C610 PolarHBondContact OG-O 3.22Å; C610-L612 PolarHBondContact O-N 3.15Å
611	N	82.2	Confident	67.5	Low	53.3333 Å²	53.3333	71.5 Å²	71.5	29%	0.285	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.2	172.6	177.4	-39.3	0	0	0	109.8	D613 T614 C615 L616	N611-D613 PolarHBondContact O-N 3.09Å; N611-D613 VanDerWaalsContact O-N 3.1Å; N611-D613 WeakPolarHBondContact OD1-CB 3.42Å; N611-D613 PolarHBondContact OD1-N 2.95Å; N611-D613 VanDerWaalsContact OD1-N 3.09Å; N611-T614 VanDerWaalsContact CB-OG1 3.29Å; N611-T614 WeakPolarHBondContact CB-OG1 3.3Å; N611-T614 PolarHBondContact ND2-OG1 2.04Å; N611-T614 PolarHBondContact O-N 3.15Å; N611-T614 VanDerWaalsContact O-N 3.11Å; N611-T614 PolarHBondContact O-OG1 3Å; N611-T614 WeakPolarHBondContact OD1-CG2 3.37Å; N611-T614 PolarHBondContact OD1-N 2.97Å; N611-T614 VanDerWaalsContact OD1-N 3.11Å; N611-T614 PolarHBondContact OD1-OG1 3.02Å; N611-T614 VanDerWaalsContact OD1-OG1 3.05Å; N611-C615 WeakPolarHBondContact O-CA 3.31Å; N611-C615 PolarHBondContact O-N 3.22Å; N611-L616 WeakPolarHBondContact CB-O 3.38Å; N611-L616 PolarHBondContact N-O 3.35Å
612	L	78.3	Confident	70.1	Confident	75 Å²	75	70.6 Å²	70.6	39%	0.393	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.6	-174.4	-58.3	173.1	0	0	0	115.2	P591 M607 C610	P591-L612 HydrophobicContact CB-CD2 4.3Å; P591-L612 HydrophobicContact CG-CD2 3.45Å; P591-L612 VanDerWaalsContact CG-CD2 3.45Å; M607-L612 HydrophobicContact CE-CD1 3.86Å; M607-L612 HydrophobicContact CE-CD2 4.28Å; M607-L612 HydrophobicContact CG-CD1 4.43Å; M607-L612 HydrophobicContact CG-CD2 4.44Å; M607-L612 HydrophobicContact SD-CD1 3.98Å; C610-L612 PolarHBondContact O-N 3.15Å
613	D	77.6	Confident	72.8	Confident	85 Å²	85	63.4 Å²	63.4	46%	0.455	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-13.6	-178.9	-76.2	-42.5	0	0	0	113.7	H390 I393 R397 N611	H390-D613 IonicContact CD2-OD2 3.97Å; H390-D613 IonicContact NE2-OD2 2.83Å; I393-D613 VanDerWaalsContact CD1-O 3.24Å; I393-D613 WeakPolarHBondContact CD1-O 3.39Å; R397-D613 IonicContact CZ-OD1 3.4Å; R397-D613 IonicContact NH1-OD1 3.65Å; R397-D613 PolarHBondContact NH1-OD1 3.04Å; R397-D613 IonicContact NH2-OD1 3.86Å; R397-D613 PolarHBondContact NH2-OD1 2.91Å; N611-D613 PolarHBondContact O-N 3.09Å; N611-D613 VanDerWaalsContact O-N 3.1Å; N611-D613 WeakPolarHBondContact OD1-CB 3.42Å; N611-D613 PolarHBondContact OD1-N 2.95Å; N611-D613 VanDerWaalsContact OD1-N 3.09Å
614	T	83.5	Confident	75.1	Confident	22 Å²	22	57.1 Å²	57.1	14%	0.135	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-16.4	-172.9	58.2	0	0	0	0	113.9	A389 H390 I393 R494 N611 L616	A389-T614 HydrophobicContact CB-CG2 3.86Å; H390-T614 HydrophobicContact CB-CG2 3.84Å; I393-T614 HydrophobicContact CD1-CG2 4.18Å; R494-T614 VanDerWaalsContact CD-O 3.31Å; R494-T614 WeakPolarHBondContact CD-O 3.27Å; N611-T614 VanDerWaalsContact CB-OG1 3.29Å; N611-T614 WeakPolarHBondContact CB-OG1 3.3Å; N611-T614 PolarHBondContact ND2-OG1 2.04Å; N611-T614 PolarHBondContact O-N 3.15Å; N611-T614 VanDerWaalsContact O-N 3.11Å; N611-T614 PolarHBondContact O-OG1 3Å; N611-T614 WeakPolarHBondContact OD1-CG2 3.37Å; N611-T614 PolarHBondContact OD1-N 2.97Å; N611-T614 VanDerWaalsContact OD1-N 3.11Å; N611-T614 PolarHBondContact OD1-OG1 3.02Å; N611-T614 VanDerWaalsContact OD1-OG1 3.05Å; T614-L616 PolarHBondContact O-N 2.93Å; T614-L616 VanDerWaalsContact O-N 3.13Å
615	C	88	Confident	77.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	30	-174.2	-73.6	0	0	0	0	114.1	C578 E587 E588 C589 N611	C578-C615 WeakPolarHBondContact CA-SG 3.41Å; C578-C615 HydrophobicContact CB-CB 3.65Å; C578-C615 WeakPolarHBondContact CB-SG 3.32Å; C578-C615 WeakPolarHBondContact SG-CB 3.3Å; C578-C615 PolarHBondContact SG-N 2.93Å; C578-C615 CovalentContact SG-SG 2.03Å; C578-C615 PolarHBondContact SG-SG 2.84Å; E587-C615 HydrophobicContact CB-CB 4.08Å; E587-C615 HydrophobicContact CG-CB 3.5Å; E587-C615 WeakPolarHBondContact OE1-CB 3.44Å; E588-C615 PolarHBondContact N-O 3.23Å; C589-C615 PolarHBondContact N-O 3Å; C589-C615 CarbonylContact O-C 3.49Å; C589-C615 WeakPolarHBondContact O-CA 3.39Å; C589-C615 WeakPolarHBondContact O-CB 3.47Å; C589-C615 PolarHBondContact O-SG 2.97Å; C589-C615 VanDerWaalsContact O-SG 3.41Å; N611-C615 WeakPolarHBondContact O-CA 3.31Å; N611-C615 PolarHBondContact O-N 3.22Å
616	L	87.9	Confident	79.5	Confident	24.6667 Å²	24.6667	49.8 Å²	49.8	13%	0.129	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149.5	170.8	-56	-176.4	0	0	0	110.1	W293 N386 A389 I486 E588 N611 T614	W293-L616 HydrophobicContact CH2-CD2 3.44Å; W293-L616 VanDerWaalsContact CH2-CD2 3.44Å; W293-L616 HydrophobicContact CZ3-CD2 3.45Å; W293-L616 VanDerWaalsContact CZ3-CD2 3.45Å; N386-L616 WeakPolarHBondContact OD1-CB 3.34Å; N386-L616 WeakPolarHBondContact OD1-CD1 3.09Å; A389-L616 HydrophobicContact CB-CD1 4.14Å; I486-L616 HydrophobicContact CD1-CD1 3.88Å; I486-L616 HydrophobicContact CD1-CD2 4.13Å; E588-L616 HydrophobicContact CG-CD2 4.4Å; N611-L616 WeakPolarHBondContact CB-O 3.38Å; N611-L616 PolarHBondContact N-O 3.35Å; T614-L616 PolarHBondContact O-N 2.93Å; T614-L616 VanDerWaalsContact O-N 3.13Å
617	A	87	Confident	81.7	Confident	7.66667 Å²	7.66667	48 Å²	48	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	145.3	178.2	0	0	0	0	0	111.1	F292 N386 E588 C609 A621 T624	F292-A617 HydrophobicContact CD2-CB 3.63Å; F292-A617 HydrophobicContact CE2-CB 3.92Å; N386-A617 PolarHBondContact ND2-O 3.18Å; E588-A617 HydrophobicContact CB-CB 4.13Å; E588-A617 WeakPolarHBondContact OE2-CA 3.34Å; E588-A617 WeakPolarHBondContact OE2-CB 3.32Å; E588-A617 PolarHBondContact OE2-N 3.19Å; C609-A617 CarbonylContact O-C 3.58Å; C609-A617 WeakPolarHBondContact O-CA 3.37Å; A617-A621 HydrophobicContact CB-CB 4.38Å; A617-T624 HydrophobicContact CB-CG2 3.48Å; A617-T624 VanDerWaalsContact CB-CG2 3.4Å
618	S	83.6	Confident	83.6	Confident	27 Å²	27	43.1 Å²	43.1	19%	0.189	25%	0.246	C	C	.	.			trans	-58.4	141	166.5	-69.8	0	0	0	0	110	S608 C609 W620 A621	S608-S618 WeakPolarHBondContact O-CB 3.25Å; S608-S618 PolarHBondContact O-OG 2.91Å; C609-S618 PolarHBondContact O-N 2.99Å; S618-W620 VanDerWaalsContact CB-NE1 3.29Å; S618-W620 PolarHBondContact O-N 2.75Å; S618-W620 VanDerWaalsContact O-N 3.12Å; S618-A621 VanDerWaalsContact O-CB 3.3Å; S618-A621 WeakPolarHBondContact O-CB 3.33Å; S618-A621 PolarHBondContact O-N 3.1Å
619	V	79.1	Confident	84.6	Confident	87 Å²	87	41.9 Å²	41.9	53%	0.527	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	-170.8	-175.8	0	0	0	0	114	K382 T383	K382-V619 HydrophobicContact CB-CG2 3.95Å; K382-V619 HydrophobicContact CD-CG2 4.12Å; K382-V619 HydrophobicContact CG-CG2 3.92Å; T383-V619 VanDerWaalsContact OG1-CG2 3.3Å; T383-V619 WeakPolarHBondContact OG1-CG2 3.3Å
620	W	78	Confident	84.7	Confident	148 Å²	148	46 Å²	46	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.2	176.2	56	-63.1	0	0	0	114.3	M607 S608 S618 V622 C632	M607-W620 HydrophobicContact CB-CZ2 4.29Å; M607-W620 HydrophobicContact CE-CB 4.24Å; M607-W620 HydrophobicContact CE-CD2 3.36Å; M607-W620 VanDerWaalsContact CE-CE2 3.43Å; M607-W620 HydrophobicContact CE-CE3 3.87Å; M607-W620 HydrophobicContact CE-CG 3.53Å; M607-W620 HydrophobicContact CE-CH2 4.42Å; M607-W620 HydrophobicContact CE-CZ2 4Å; M607-W620 HydrophobicContact CE-CZ3 4.36Å; M607-W620 HydrophobicContact CG-CZ2 3.99Å; S608-W620 WeakPolarHBondContact O-CZ2 3.26Å; S618-W620 VanDerWaalsContact CB-NE1 3.29Å; S618-W620 PolarHBondContact O-N 2.75Å; S618-W620 VanDerWaalsContact O-N 3.12Å; W620-V622 PolarHBondContact O-N 2.85Å; W620-C632 HydrophobicContact CE3-CB 4.22Å; W620-C632 HydrophobicContact CH2-CB 4.06Å; W620-C632 WeakPolarHBondContact CH2-SG 3.33Å; W620-C632 HydrophobicContact CZ3-CB 3.57Å; W620-C632 VanDerWaalsContact CZ3-SG 3.54Å
621	A	84.8	Confident	84.6	Confident	9 Å²	9	51.4 Å²	51.4	7%	0.074	28%	0.279	C	S	.	.			trans	-80.7	122.3	-179.2	0	0	0	0	0	110.5	F292 C609 A617 S618 C623 C632	F292-A621 HydrophobicContact CE2-CB 4.33Å; F292-A621 WeakPolarHBondContact CE2-O 3.39Å; F292-A621 VanDerWaalsContact CZ-O 3.25Å; F292-A621 WeakPolarHBondContact CZ-O 3.48Å; C609-A621 HydrophobicContact CB-CB 4.48Å; A617-A621 HydrophobicContact CB-CB 4.38Å; S618-A621 VanDerWaalsContact O-CB 3.3Å; S618-A621 WeakPolarHBondContact O-CB 3.33Å; S618-A621 PolarHBondContact O-N 3.1Å; A621-C623 VanDerWaalsContact C-N 3.3Å; A621-C632 CarbonylContact C-O 3.53Å; A621-C632 WeakPolarHBondContact CA-O 3.23Å; A621-C632 HydrophobicContact CB-CB 3.81Å
622	V	86.8	Confident	84.9	Confident	89.3333 Å²	89.3333	48.9 Å²	48.9	54%	0.541	27%	0.265	S	S	.	.	S	Bend	trans	-85	-19.3	170.3	-170.5	0	0	0	0	110.5	F292 W620 C632 L634	F292-V622 VanDerWaalsContact CE1-O 3.25Å; F292-V622 WeakPolarHBondContact CE1-O 3.39Å; F292-V622 VanDerWaalsContact CZ-C 3.47Å; F292-V622 WeakPolarHBondContact CZ-O 3.41Å; W620-V622 PolarHBondContact O-N 2.85Å; V622-C632 PolarHBondContact N-O 3.21Å; V622-L634 HydrophobicContact CG1-CD1 4.19Å; V622-L634 HydrophobicContact CG1-CG 4.05Å
623	C	87.2	Confident	85.4	Confident	2.66667 Å²	2.66667	53.6 Å²	53.6	2%	0.018	28%	0.278	C	S	.	.			trans	-153.6	159.7	172.3	60.7	0	0	0	0	111.1	A621 C629 C632 R633 L634 P659	A621-C623 VanDerWaalsContact C-N 3.3Å; C623-C629 HydrophobicContact CB-CB 3.81Å; C623-C629 WeakPolarHBondContact CB-SG 3.39Å; C623-C629 PolarHBondContact O-SG 3.37Å; C623-C629 WeakPolarHBondContact SG-CA 3.25Å; C623-C629 WeakPolarHBondContact SG-CB 3.44Å; C623-C629 CovalentContact SG-SG 2.04Å; C623-C629 PolarHBondContact SG-SG 3.2Å; C623-C632 PolarHBondContact N-O 3.04Å; C623-C632 VanDerWaalsContact N-O 3.17Å; C623-C632 CarbonylContact O-C 3.57Å; C623-C632 VanDerWaalsContact O-CA 3.3Å; C623-C632 WeakPolarHBondContact O-CA 3.26Å; C623-C632 VanDerWaalsContact SG-C 3.56Å; C623-R633 PolarHBondContact SG-O 3.03Å; C623-L634 HydrophobicContact CB-CD2 3.97Å; C623-P659 HydrophobicContact CB-CB 3.61Å; C623-P659 HydrophobicContact CB-CG 4.32Å
624	T	83.8	Confident	86	Confident	25.3333 Å²	25.3333	51.7 Å²	51.7	16%	0.155	27%	0.267	C	S	.	.	S	Bend	trans	-119.2	-21.1	-179.9	57	0	0	0	0	114.5	F292 E588 C589 C609 A617	F292-T624 HydrophobicContact CD2-CG2 3.89Å; F292-T624 HydrophobicContact CE2-CG2 4.25Å; F292-T624 HydrophobicContact CG-CG2 4.38Å; E588-T624 PolarHBondContact O-OG1 3.36Å; C589-T624 HydrophobicContact CB-CG2 3.97Å; C609-T624 HydrophobicContact CB-CG2 4.29Å; A617-T624 HydrophobicContact CB-CG2 3.48Å; A617-T624 VanDerWaalsContact CB-CG2 3.4Å
625	H	82.3	Confident	86.3	Confident	73 Å²	73	53.7 Å²	53.7	34%	0.338	27%	0.274	S	S	.	.	S	Bend	trans	-157.1	168	-173.4	61	-85.3	0	0	0	111.1	R294 C629 P659	R294-H625 PolarHBondContact NH2-CD2 2.93Å; R294-H625 PolarHBondContact NH2-NE2 2.91Å; H625-C629 WeakPolarHBondContact O-CB 3.23Å; H625-P659 WeakPolarHBondContact O-CB 3.35Å
626	G	83.9	Confident	86.4	Confident	34 Å²	34	61.5 Å²	61.5	35%	0.351	31%	0.311	S	S	.	.	S	Bend	trans	101.9	156.6	174.8	0	0	0	0	0	114.5	C628 C629 P659	G626-C628 VanDerWaalsContact C-N 3.27Å; G626-C628 PolarHBondContact O-N 3.01Å; G626-C629 WeakPolarHBondContact O-CB 3.42Å; G626-C629 PolarHBondContact O-N 3.25Å; G626-P659 CarbonylContact C-O 3.49Å; G626-P659 VanDerWaalsContact C-O 3.25Å; G626-P659 WeakPolarHBondContact CA-O 3.27Å
627	P	88	Confident	86.4	Confident	62.3333 Å²	62.3333	64.5 Å²	64.5	41%	0.405	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.8	-172.1	30.7	-38	0	0	0	114.1	K635 C641 C661	P627-K635 WeakPolarHBondContact O-CD 3.38Å; P627-K635 WeakPolarHBondContact O-CE 3.4Å; P627-K635 PolarHBondContact O-NZ 3.09Å; P627-C641 HydrophobicContact CB-CB 4.11Å; P627-C641 HydrophobicContact CG-CB 4.26Å; P627-C661 HydrophobicContact CG-CB 3.85Å
628	C	92.8	Very high	86.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	9.6	170.6	-67.7	0	0	0	0	113.4	G626 L634 K635 C641 C654 H658 P659	G626-C628 VanDerWaalsContact C-N 3.27Å; G626-C628 PolarHBondContact O-N 3.01Å; C628-L634 CarbonylContact O-C 3.52Å; C628-L634 WeakPolarHBondContact O-CA 3.28Å; C628-K635 PolarHBondContact O-N 2.81Å; C628-C641 VanDerWaalsContact SG-CB 3.52Å; C628-C641 WeakPolarHBondContact SG-CB 3.42Å; C628-C641 VanDerWaalsContact SG-SG 3.65Å; C628-C654 WeakPolarHBondContact CA-SG 3.18Å; C628-C654 HydrophobicContact CB-CB 3.81Å; C628-C654 WeakPolarHBondContact CB-SG 3.45Å; C628-C654 WeakPolarHBondContact SG-CA 3.4Å; C628-C654 WeakPolarHBondContact SG-CB 3.22Å; C628-C654 CovalentContact SG-SG 2.03Å; C628-C654 PolarHBondContact SG-SG 3.02Å; C628-H658 VanDerWaalsContact CB-O 3.28Å; C628-H658 WeakPolarHBondContact CB-O 3.45Å; C628-P659 CarbonylContact C-O 3.59Å; C628-P659 WeakPolarHBondContact CA-O 3.38Å; C628-P659 WeakPolarHBondContact CB-O 3.26Å; C628-P659 PolarHBondContact N-O 3.36Å
629	C	90.1	Very high	86.7	Confident	23 Å²	23	65.8 Å²	65.8	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.9	169.3	-166.3	0	0	0	0	110.8	C623 H625 G626 P659	C623-C629 HydrophobicContact CB-CB 3.81Å; C623-C629 WeakPolarHBondContact CB-SG 3.39Å; C623-C629 PolarHBondContact O-SG 3.37Å; C623-C629 WeakPolarHBondContact SG-CA 3.25Å; C623-C629 WeakPolarHBondContact SG-CB 3.44Å; C623-C629 CovalentContact SG-SG 2.04Å; C623-C629 PolarHBondContact SG-SG 3.2Å; H625-C629 WeakPolarHBondContact O-CB 3.23Å; G626-C629 WeakPolarHBondContact O-CB 3.42Å; G626-C629 PolarHBondContact O-N 3.25Å; C629-P659 HydrophobicContact CB-CB 4.22Å
630	H	87.9	Confident	87.2	Confident	105.667 Å²	105.667	64.9 Å²	64.9	49%	0.489	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	128.6	174.1	-174.8	80.6	0	0	0	109.7	C632 R633 K635	H630-C632 PolarHBondContact O-N 3.25Å; H630-C632 VanDerWaalsContact O-N 3.15Å; H630-R633 PolarHBondContact N-O 3.23Å; H630-R633 PolarHBondContact O-N 3.03Å; H630-K635 HydrophobicContact CB-CG 4.05Å
631	Q	84.2	Confident	87.9	Confident	126 Å²	126	59 Å²	59	59%	0.589	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.1	42.5	-176.8	-61.9	175.8	14.1	0	0	112.9	T604 R633	T604-Q631 PolarHBondContact OG1-NE2 3.03Å; Q631-R633 PolarHBondContact O-N 3.01Å; Q631-R633 VanDerWaalsContact O-N 3.13Å
632	C	87.1	Confident	88.2	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	13.3	-178.8	-31	0	0	0	0	115.6	M607 S608 C609 W620 A621 V622 C623 H630	M607-C632 PolarHBondContact O-SG 2.85Å; S608-C632 PolarHBondContact OG-SG 3.47Å; C609-C632 WeakPolarHBondContact CA-SG 3.37Å; C609-C632 HydrophobicContact CB-CB 3.69Å; C609-C632 WeakPolarHBondContact CB-SG 3.38Å; C609-C632 PolarHBondContact N-SG 3.16Å; C609-C632 VanDerWaalsContact N-SG 3.38Å; C609-C632 WeakPolarHBondContact SG-CA 3.41Å; C609-C632 WeakPolarHBondContact SG-CB 3.26Å; C609-C632 PolarHBondContact SG-N 2.88Å; C609-C632 VanDerWaalsContact SG-N 3.37Å; C609-C632 CovalentContact SG-SG 2.03Å; C609-C632 PolarHBondContact SG-SG 3.31Å; W620-C632 HydrophobicContact CE3-CB 4.22Å; W620-C632 HydrophobicContact CH2-CB 4.06Å; W620-C632 WeakPolarHBondContact CH2-SG 3.33Å; W620-C632 HydrophobicContact CZ3-CB 3.57Å; W620-C632 VanDerWaalsContact CZ3-SG 3.54Å; A621-C632 CarbonylContact C-O 3.53Å; A621-C632 WeakPolarHBondContact CA-O 3.23Å; A621-C632 HydrophobicContact CB-CB 3.81Å; V622-C632 PolarHBondContact N-O 3.21Å; C623-C632 PolarHBondContact N-O 3.04Å; C623-C632 VanDerWaalsContact N-O 3.17Å; C623-C632 CarbonylContact O-C 3.57Å; C623-C632 VanDerWaalsContact O-CA 3.3Å; C623-C632 WeakPolarHBondContact O-CA 3.26Å; C623-C632 VanDerWaalsContact SG-C 3.56Å; H630-C632 PolarHBondContact O-N 3.25Å; H630-C632 VanDerWaalsContact O-N 3.15Å
633	R	89.1	Confident	88.3	Confident	172 Å²	172	61.3 Å²	61.3	65%	0.649	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	154.6	174.7	-65.6	-179.7	176.3	-174.9	-1.5	109.9	C623 H630 Q631 K635	C623-R633 PolarHBondContact SG-O 3.03Å; H630-R633 PolarHBondContact N-O 3.23Å; H630-R633 PolarHBondContact O-N 3.03Å; Q631-R633 PolarHBondContact O-N 3.01Å; Q631-R633 VanDerWaalsContact O-N 3.13Å; R633-K635 PolarHBondContact O-N 3.24Å
634	L	90.1	Very high	88.3	Confident	45.3333 Å²	45.3333	62.2 Å²	62.2	24%	0.237	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.9	171.4	-60.6	177.8	0	0	0	109.2	V622 C623 C628 G656 P659	V622-L634 HydrophobicContact CG1-CD1 4.19Å; V622-L634 HydrophobicContact CG1-CG 4.05Å; C623-L634 HydrophobicContact CB-CD2 3.97Å; C628-L634 CarbonylContact O-C 3.52Å; C628-L634 WeakPolarHBondContact O-CA 3.28Å; L634-G656 VanDerWaalsContact CD1-O 3.28Å; L634-G656 WeakPolarHBondContact CD1-O 3.3Å; L634-P659 HydrophobicContact CD2-CB 3.74Å; L634-P659 HydrophobicContact CD2-CG 4.44Å
635	K	90.6	Very high	88.2	Confident	65 Å²	65	67.8 Å²	67.8	28%	0.283	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-58.5	148.3	167.7	-76.8	-173.1	178.7	167.1	0	109.3	P627 C628 H630 R633 V640 C654	P627-K635 WeakPolarHBondContact O-CD 3.38Å; P627-K635 WeakPolarHBondContact O-CE 3.4Å; P627-K635 PolarHBondContact O-NZ 3.09Å; C628-K635 PolarHBondContact O-N 2.81Å; H630-K635 HydrophobicContact CB-CG 4.05Å; R633-K635 PolarHBondContact O-N 3.24Å; K635-V640 PolarHBondContact NZ-O 3Å; K635-V640 VanDerWaalsContact NZ-O 3.11Å; K635-C654 HydrophobicContact CB-CB 4.23Å
636	Q	89.5	Confident	88.1	Confident	163.667 Å²	163.667	65.9 Å²	65.9	77%	0.765	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-59	149.1	176.7	-65.5	-177	0.5	0	0	111.1	G638 S639	Q636-G638 PolarHBondContact O-N 3.03Å; Q636-S639 VanDerWaalsContact O-CB 3.3Å; Q636-S639 WeakPolarHBondContact O-CB 3.42Å; Q636-S639 PolarHBondContact O-N 2.94Å; Q636-S639 VanDerWaalsContact O-N 3.14Å; Q636-S639 PolarHBondContact O-OG 3.13Å
637	K	88.9	Confident	88.1	Confident	87.3333 Å²	87.3333	66.9 Å²	66.9	38%	0.38	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	135.5	174.2	-172.2	-176.2	179.9	-174.4	0	109.7	S639 C654 T655 S945 E947 W951 W953 E957	K637-S639 VanDerWaalsContact C-N 3.34Å; K637-C654 CarbonylContact C-O 3.56Å; K637-C654 VanDerWaalsContact CA-O 3.28Å; K637-C654 WeakPolarHBondContact CA-O 3.34Å; K637-T655 WeakPolarHBondContact CG-O 3.28Å; K637-S945 PolarHBondContact NZ-OG 3.47Å; K637-E947 VanDerWaalsContact CE-OE2 3.23Å; K637-E947 WeakPolarHBondContact CE-OE2 3.37Å; K637-E947 IonicContact NZ-OE1 2.78Å; K637-E947 PolarHBondContact NZ-OE1 3.43Å; K637-E947 IonicContact NZ-OE2 2.74Å; K637-E947 PolarHBondContact NZ-OE2 3.37Å; K637-W951 HydrophobicContact CD-CH2 4.23Å; K637-W951 HydrophobicContact CG-CH2 3.92Å; K637-W951 HydrophobicContact CG-CZ3 4.11Å; K637-W953 VanDerWaalsContact CE-CE3 3.43Å; K637-W953 HydrophobicContact CG-CE3 4.39Å; K637-W953 HydrophobicContact CG-CZ3 4.4Å; K637-E957 WeakPolarHBondContact CE-OE2 3.29Å; K637-E957 VanDerWaalsContact NZ-CD 3.31Å; K637-E957 IonicContact NZ-OE1 3.33Å; K637-E957 PolarHBondContact NZ-OE1 3.48Å; K637-E957 VanDerWaalsContact NZ-OE1 3.17Å; K637-E957 IonicContact NZ-OE2 3.25Å; K637-E957 PolarHBondContact NZ-OE2 3.15Å
638	G	86.7	Confident	88.2	Confident	24.6667 Å²	24.6667	64 Å²	64	25%	0.254	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-5.4	-176	0	0	0	0	0	115.5	Q636 V640 F653 C654	Q636-G638 PolarHBondContact O-N 3.03Å; G638-V640 PolarHBondContact O-N 3.1Å; G638-F653 WeakPolarHBondContact O-CB 3.35Å; G638-F653 WeakPolarHBondContact O-CD1 3.39Å; G638-C654 PolarHBondContact N-O 2.98Å
639	S	90.3	Very high	88	Confident	37.3333 Å²	37.3333	64.4 Å²	64.4	26%	0.261	32%	0.32	S	S	.	.			trans	-71	120.1	174.8	-55.5	0	0	0	0	111.3	Q636 K637 C641 F653 C654	Q636-S639 VanDerWaalsContact O-CB 3.3Å; Q636-S639 WeakPolarHBondContact O-CB 3.42Å; Q636-S639 PolarHBondContact O-N 2.94Å; Q636-S639 VanDerWaalsContact O-N 3.14Å; Q636-S639 PolarHBondContact O-OG 3.13Å; K637-S639 VanDerWaalsContact C-N 3.34Å; S639-C641 PolarHBondContact O-N 2.93Å; S639-F653 CarbonylContact O-C 3.55Å; S639-F653 VanDerWaalsContact O-CA 3.29Å; S639-F653 WeakPolarHBondContact O-CA 3.2Å; S639-F653 WeakPolarHBondContact O-CB 3.46Å; S639-C654 PolarHBondContact O-N 3.01Å; S639-C654 PolarHBondContact O-SG 3.38Å; S639-C654 VanDerWaalsContact O-SG 3.33Å
640	V	89.4	Confident	88	Confident	69 Å²	69	64 Å²	64	42%	0.418	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	131.7	178	-175.5	0	0	0	0	110.8	K635 G638 P643 E652 F653	K635-V640 PolarHBondContact NZ-O 3Å; K635-V640 VanDerWaalsContact NZ-O 3.11Å; G638-V640 PolarHBondContact O-N 3.1Å; V640-P643 HydrophobicContact CG1-CB 4.41Å; V640-E652 WeakPolarHBondContact CA-O 3.42Å; V640-F653 HydrophobicContact CB-CD1 4.09Å; V640-F653 HydrophobicContact CG1-CD1 4.45Å; V640-F653 HydrophobicContact CG2-CD1 3.58Å; V640-F653 VanDerWaalsContact CG2-CD1 3.48Å; V640-F653 HydrophobicContact CG2-CE1 3.66Å; V640-F653 VanDerWaalsContact CG2-CE1 3.49Å; V640-F653 HydrophobicContact CG2-CZ 4.38Å
641	C	92.6	Very high	88	Confident	22.3333 Å²	22.3333	59.4 Å²	59.4	15%	0.151	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-23.1	175.3	56.4	0	0	0	0	113.9	P627 C628 S639 E652 F653 C661 P662	P627-C641 HydrophobicContact CB-CB 4.11Å; P627-C641 HydrophobicContact CG-CB 4.26Å; C628-C641 VanDerWaalsContact SG-CB 3.52Å; C628-C641 WeakPolarHBondContact SG-CB 3.42Å; C628-C641 VanDerWaalsContact SG-SG 3.65Å; S639-C641 PolarHBondContact O-N 2.93Å; C641-E652 PolarHBondContact N-O 3.03Å; C641-E652 PolarHBondContact SG-O 3Å; C641-F653 VanDerWaalsContact SG-CA 3.56Å; C641-F653 WeakPolarHBondContact SG-CA 3.37Å; C641-C661 VanDerWaalsContact C-SG 3.55Å; C641-C661 HydrophobicContact CB-CB 3.81Å; C641-C661 WeakPolarHBondContact CB-SG 3.35Å; C641-C661 WeakPolarHBondContact SG-CA 3.35Å; C641-C661 WeakPolarHBondContact SG-CB 3.43Å; C641-C661 CovalentContact SG-SG 2.04Å; C641-C661 PolarHBondContact SG-SG 3.1Å; C641-P662 VanDerWaalsContact SG-CD 3.54Å
642	R	91.9	Very high	88.3	Confident	59.3333 Å²	59.3333	53.7 Å²	53.7	22%	0.224	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.1	164.1	-174.7	-170.9	75.5	100.5	-2.3	108.4	D649 L650 P651 E652 D664	R642-D649 IonicContact CZ-OD1 2.88Å; R642-D649 VanDerWaalsContact CZ-OD1 3.31Å; R642-D649 IonicContact CZ-OD2 2.91Å; R642-D649 VanDerWaalsContact NH1-CG 3.31Å; R642-D649 IonicContact NH1-OD1 2.8Å; R642-D649 PolarHBondContact NH1-OD1 2.8Å; R642-D649 IonicContact NH1-OD2 3.11Å; R642-D649 PolarHBondContact NH1-OD2 2.96Å; R642-D649 IonicContact NH2-OD1 2.79Å; R642-D649 PolarHBondContact NH2-OD1 2.82Å; R642-D649 IonicContact NH2-OD2 2.7Å; R642-L650 PolarHBondContact NH2-O 3.29Å; R642-L650 VanDerWaalsContact NH2-O 3.11Å; R642-P651 WeakPolarHBondContact O-CA 2.95Å; R642-E652 WeakPolarHBondContact CB-OE2 3.34Å; R642-E652 IonicContact CZ-OE1 3.41Å; R642-E652 IonicContact CZ-OE2 3.04Å; R642-E652 PolarHBondContact N-O 2.82Å; R642-E652 VanDerWaalsContact N-O 3.12Å; R642-E652 IonicContact NE-OE1 3.23Å; R642-E652 PolarHBondContact NE-OE1 3.03Å; R642-E652 IonicContact NE-OE2 3.3Å; R642-E652 PolarHBondContact NE-OE2 3.28Å; R642-E652 IonicContact NH2-OE1 3.12Å; R642-E652 PolarHBondContact NH2-OE1 3.11Å; R642-E652 IonicContact NH2-OE2 3.69Å; R642-E652 PolarHBondContact NH2-OE2 2.91Å; R642-E652 VanDerWaalsContact NH2-OE2 3.14Å; R642-E652 PolarHBondContact O-N 3.03Å; R642-E652 VanDerWaalsContact O-N 3.07Å; R642-E652 VanDerWaalsContact O-O 3.09Å; R642-D664 IonicContact CZ-OD1 3.29Å; R642-D664 IonicContact CZ-OD2 3.33Å; R642-D664 IonicContact NE-OD2 3.31Å; R642-D664 PolarHBondContact NE-OD2 3.38Å; R642-D664 VanDerWaalsContact NH1-CG 3.3Å; R642-D664 IonicContact NH1-OD1 2.69Å; R642-D664 PolarHBondContact NH1-OD1 2.75Å; R642-D664 IonicContact NH1-OD2 3.14Å; R642-D664 PolarHBondContact NH1-OD2 2.89Å; R642-D664 IonicContact NH2-OD1 3.06Å; R642-D664 PolarHBondContact NH2-OD1 3.09Å; R642-D664 IonicContact NH2-OD2 3.62Å
643	P	88.6	Confident	88.4	Confident	87.6667 Å²	87.6667	54 Å²	54	57%	0.569	27%	0.271	S	S	*	.			trans	-77.6	154.6	170.2	33.5	-33.8	0	0	0	110.3	V640	V640-P643 HydrophobicContact CG1-CB 4.41Å
644	A	85.9	Confident	88.6	Confident	22.6667 Å²	22.6667	45.8 Å²	45.8	19%	0.187	24%	0.24	C	C	.	.			trans	-59.8	141.4	169.8	0	0	0	0	0	111.5	D649 Y955	A644-D649 HydrophobicContact CB-CB 4.12Å; A644-D649 VanDerWaalsContact CB-O 3.29Å; A644-D649 WeakPolarHBondContact CB-O 3.09Å; A644-Y955 HydrophobicContact CB-CE1 3.64Å; A644-Y955 PolarHBondContact O-OH 3.06Å
645	F	81.9	Confident	88.5	Confident	142.333 Å²	142.333	45.5 Å²	45.5	62%	0.624	24%	0.24	S	C	*	.	S	Bend	trans	-81	-44	177.5	-177.7	-93.8	0	0	0	112.6	D649 R734	F645-D649 HydrophobicContact CB-CB 4.32Å; F645-D649 WeakPolarHBondContact CB-OD2 3.4Å; F645-D649 PolarHBondContact N-OD2 3.23Å; F645-R734 HydrophobicContact CD1-CG 4.44Å
646	D	80.7	Confident	88.3	Confident	33.6667 Å²	33.6667	43.8 Å²	43.8	18%	0.18	24%	0.24	C	C	.	.	S	Bend	trans	-147.8	-169	172.5	72.2	53.4	0	0	0	111.4	C648 D649 R734 C735	D646-C648 VanDerWaalsContact C-N 3.28Å; D646-C648 PolarHBondContact O-N 3.31Å; D646-C648 VanDerWaalsContact O-N 3.15Å; D646-C648 VanDerWaalsContact OD1-CB 3.3Å; D646-C648 WeakPolarHBondContact OD1-CB 3.16Å; D646-C648 PolarHBondContact OD1-N 2.82Å; D646-D649 VanDerWaalsContact O-CB 3.3Å; D646-D649 WeakPolarHBondContact O-CB 3.37Å; D646-D649 PolarHBondContact O-N 2.93Å; D646-R734 VanDerWaalsContact OD2-CA 3.27Å; D646-R734 WeakPolarHBondContact OD2-CA 3.29Å; D646-C735 VanDerWaalsContact CG-N 3.34Å; D646-C735 WeakPolarHBondContact OD1-CB 3Å; D646-C735 PolarHBondContact OD1-N 2.97Å; D646-C735 VanDerWaalsContact OD1-N 3.11Å; D646-C735 PolarHBondContact OD2-N 3.16Å
647	Q	84.4	Confident	88.2	Confident	55.3333 Å²	55.3333	40.3 Å²	40.3	26%	0.259	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.1	-176.9	-45.6	176	21.2	0	0	114.9	D649 C673 L674 C735 Y963	Q647-D649 VanDerWaalsContact C-N 3.3Å; Q647-C673 HydrophobicContact CB-CB 4.29Å; Q647-C673 HydrophobicContact CG-CB 3.76Å; Q647-L674 PolarHBondContact NE2-O 3.01Å; Q647-L674 PolarHBondContact OE1-O 2.76Å; Q647-C735 HydrophobicContact CG-CB 4.48Å; Q647-C735 PolarHBondContact NE2-SG 2.95Å; Q647-C735 VanDerWaalsContact NE2-SG 3.41Å; Q647-Y963 HydrophobicContact CG-CE1 4.04Å; Q647-Y963 HydrophobicContact CG-CE2 4.45Å
648	C	89.1	Confident	88	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-9.2	178	-65.9	0	0	0	0	113	D646 Y666 L667 C673 C730 R734	D646-C648 VanDerWaalsContact C-N 3.28Å; D646-C648 PolarHBondContact O-N 3.31Å; D646-C648 VanDerWaalsContact O-N 3.15Å; D646-C648 VanDerWaalsContact OD1-CB 3.3Å; D646-C648 WeakPolarHBondContact OD1-CB 3.16Å; D646-C648 PolarHBondContact OD1-N 2.82Å; C648-Y666 WeakPolarHBondContact O-CB 3.44Å; C648-L667 PolarHBondContact O-N 3.23Å; C648-C673 VanDerWaalsContact SG-CB 3.53Å; C648-C673 WeakPolarHBondContact SG-CB 3.26Å; C648-C673 VanDerWaalsContact SG-SG 3.65Å; C648-C730 VanDerWaalsContact CA-SG 3.55Å; C648-C730 HydrophobicContact CB-CB 3.63Å; C648-C730 WeakPolarHBondContact CB-SG 3.36Å; C648-C730 WeakPolarHBondContact SG-CA 3.23Å; C648-C730 WeakPolarHBondContact SG-CB 3.38Å; C648-C730 CovalentContact SG-SG 2.03Å; C648-C730 PolarHBondContact SG-SG 2.92Å; C648-R734 VanDerWaalsContact CB-C 3.5Å; C648-R734 VanDerWaalsContact SG-C 3.51Å; C648-R734 PolarHBondContact SG-O 3.02Å; C648-R734 VanDerWaalsContact SG-O 3.34Å
649	D	89.9	Confident	88	Confident	8.33333 Å²	8.33333	42.1 Å²	42.1	5%	0.045	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-106.5	149.7	-174	-164	15.9	0	0	0	110	R642 A644 F645 D646 Q647 G733	R642-D649 IonicContact CZ-OD1 2.88Å; R642-D649 VanDerWaalsContact CZ-OD1 3.31Å; R642-D649 IonicContact CZ-OD2 2.91Å; R642-D649 VanDerWaalsContact NH1-CG 3.31Å; R642-D649 IonicContact NH1-OD1 2.8Å; R642-D649 PolarHBondContact NH1-OD1 2.8Å; R642-D649 IonicContact NH1-OD2 3.11Å; R642-D649 PolarHBondContact NH1-OD2 2.96Å; R642-D649 IonicContact NH2-OD1 2.79Å; R642-D649 PolarHBondContact NH2-OD1 2.82Å; R642-D649 IonicContact NH2-OD2 2.7Å; A644-D649 HydrophobicContact CB-CB 4.12Å; A644-D649 VanDerWaalsContact CB-O 3.29Å; A644-D649 WeakPolarHBondContact CB-O 3.09Å; F645-D649 HydrophobicContact CB-CB 4.32Å; F645-D649 WeakPolarHBondContact CB-OD2 3.4Å; F645-D649 PolarHBondContact N-OD2 3.23Å; D646-D649 VanDerWaalsContact O-CB 3.3Å; D646-D649 WeakPolarHBondContact O-CB 3.37Å; D646-D649 PolarHBondContact O-N 2.93Å; Q647-D649 VanDerWaalsContact C-N 3.3Å; D649-G733 WeakPolarHBondContact CB-O 3.21Å
650	L	88.5	Confident	87.9	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.079	25%	0.246	C	C	.	.			trans	-116	143.2	-178.7	-56.3	168.6	0	0	0	110.7	R642 L665 L667 T887 L893 I952 L956	R642-L650 PolarHBondContact NH2-O 3.29Å; R642-L650 VanDerWaalsContact NH2-O 3.11Å; L650-L665 HydrophobicContact CB-CB 4.36Å; L650-L665 VanDerWaalsContact CB-O 3.27Å; L650-L665 WeakPolarHBondContact CB-O 3.23Å; L650-L665 HydrophobicContact CD1-CB 4.28Å; L650-L665 PolarHBondContact N-O 3.13Å; L650-L665 VanDerWaalsContact N-O 3.09Å; L650-L667 HydrophobicContact CD1-CD2 4.31Å; L650-L667 HydrophobicContact CD2-CD2 4.15Å; L650-L667 HydrophobicContact CD2-CG 4.43Å; L650-L667 HydrophobicContact CG-CD2 4.45Å; L650-T887 HydrophobicContact CD1-CG2 4.01Å; L650-L893 HydrophobicContact CD1-CD1 3.63Å; L650-L893 VanDerWaalsContact CD1-CD1 3.48Å; L650-L893 HydrophobicContact CD2-CD1 3.97Å; L650-I952 HydrophobicContact CD2-CG2 4.11Å; L650-L956 HydrophobicContact CD2-CD1 4.15Å; L650-L956 HydrophobicContact CD2-CD2 4.1Å; L650-L956 HydrophobicContact CD2-CG 4.49Å
651	P	88.7	Confident	87.9	Confident	9 Å²	9	41.7 Å²	41.7	6%	0.058	24%	0.236	C	C	.	.			trans	-71.9	135.5	174.9	30.6	-34.3	0	0	0	110.5	R642 F653 I949 I952 Y955	R642-P651 WeakPolarHBondContact O-CA 2.95Å; P651-F653 HydrophobicContact CB-CE1 4.36Å; P651-F653 HydrophobicContact CB-CE2 4.13Å; P651-F653 HydrophobicContact CB-CZ 3.92Å; P651-F653 HydrophobicContact CG-CE1 4.48Å; P651-F653 HydrophobicContact CG-CE2 3.96Å; P651-F653 HydrophobicContact CG-CZ 3.74Å; P651-F653 WeakPolarHBondContact O-CD2 3.33Å; P651-F653 VanDerWaalsContact O-CE2 3.31Å; P651-F653 WeakPolarHBondContact O-CE2 3.42Å; P651-I949 HydrophobicContact CG-CG1 4.46Å; P651-I952 HydrophobicContact CG-CG1 4.43Å; P651-Y955 HydrophobicContact CB-CD1 4.25Å; P651-Y955 HydrophobicContact CB-CD2 4.38Å; P651-Y955 HydrophobicContact CB-CE1 4.39Å; P651-Y955 HydrophobicContact CB-CG 4.25Å; P651-Y955 HydrophobicContact CG-CD1 3.54Å; P651-Y955 HydrophobicContact CG-CD2 4.23Å; P651-Y955 HydrophobicContact CG-CE1 4.08Å; P651-Y955 HydrophobicContact CG-CG 3.63Å
652	E	89.6	Confident	87.8	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	151.3	165.4	-45.9	83.3	-173.8	0	0	113	V640 C641 R642 C661 P662 D664 L665	V640-E652 WeakPolarHBondContact CA-O 3.42Å; C641-E652 PolarHBondContact N-O 3.03Å; C641-E652 PolarHBondContact SG-O 3Å; R642-E652 WeakPolarHBondContact CB-OE2 3.34Å; R642-E652 IonicContact CZ-OE1 3.41Å; R642-E652 IonicContact CZ-OE2 3.04Å; R642-E652 PolarHBondContact N-O 2.82Å; R642-E652 VanDerWaalsContact N-O 3.12Å; R642-E652 IonicContact NE-OE1 3.23Å; R642-E652 PolarHBondContact NE-OE1 3.03Å; R642-E652 IonicContact NE-OE2 3.3Å; R642-E652 PolarHBondContact NE-OE2 3.28Å; R642-E652 IonicContact NH2-OE1 3.12Å; R642-E652 PolarHBondContact NH2-OE1 3.11Å; R642-E652 IonicContact NH2-OE2 3.69Å; R642-E652 PolarHBondContact NH2-OE2 2.91Å; R642-E652 VanDerWaalsContact NH2-OE2 3.14Å; R642-E652 PolarHBondContact O-N 3.03Å; R642-E652 VanDerWaalsContact O-N 3.07Å; R642-E652 VanDerWaalsContact O-O 3.09Å; E652-C661 VanDerWaalsContact CB-SG 3.57Å; E652-P662 HydrophobicContact CB-CB 4.41Å; E652-P662 HydrophobicContact CB-CG 4.07Å; E652-P662 HydrophobicContact CG-CB 4.32Å; E652-P662 HydrophobicContact CG-CG 4.14Å; E652-D664 VanDerWaalsContact OE1-CA 3.29Å; E652-D664 WeakPolarHBondContact OE1-CA 3.4Å; E652-L665 HydrophobicContact CG-CB 4.31Å; E652-L665 HydrophobicContact CG-CD1 4.39Å; E652-L665 PolarHBondContact OE1-N 2.92Å
653	F	89.9	Confident	87.5	Confident	7 Å²	7	45.5 Å²	45.5	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.5	-172.3	-35.3	-113.7	0	0	0	109.3	G638 S639 V640 C641 P651 T655 P662 V948 I949 W951 I952 W953	G638-F653 WeakPolarHBondContact O-CB 3.35Å; G638-F653 WeakPolarHBondContact O-CD1 3.39Å; S639-F653 CarbonylContact O-C 3.55Å; S639-F653 VanDerWaalsContact O-CA 3.29Å; S639-F653 WeakPolarHBondContact O-CA 3.2Å; S639-F653 WeakPolarHBondContact O-CB 3.46Å; V640-F653 HydrophobicContact CB-CD1 4.09Å; V640-F653 HydrophobicContact CG1-CD1 4.45Å; V640-F653 HydrophobicContact CG2-CD1 3.58Å; V640-F653 VanDerWaalsContact CG2-CD1 3.48Å; V640-F653 HydrophobicContact CG2-CE1 3.66Å; V640-F653 VanDerWaalsContact CG2-CE1 3.49Å; V640-F653 HydrophobicContact CG2-CZ 4.38Å; C641-F653 VanDerWaalsContact SG-CA 3.56Å; C641-F653 WeakPolarHBondContact SG-CA 3.37Å; P651-F653 HydrophobicContact CB-CE1 4.36Å; P651-F653 HydrophobicContact CB-CE2 4.13Å; P651-F653 HydrophobicContact CB-CZ 3.92Å; P651-F653 HydrophobicContact CG-CE1 4.48Å; P651-F653 HydrophobicContact CG-CE2 3.96Å; P651-F653 HydrophobicContact CG-CZ 3.74Å; P651-F653 WeakPolarHBondContact O-CD2 3.33Å; P651-F653 VanDerWaalsContact O-CE2 3.31Å; P651-F653 WeakPolarHBondContact O-CE2 3.42Å; F653-T655 PolarHBondContact O-N 2.83Å; F653-P662 WeakPolarHBondContact O-CD 3.39Å; F653-P662 VanDerWaalsContact O-CG 3.32Å; F653-P662 WeakPolarHBondContact O-CG 3.47Å; F653-V948 HydrophobicContact CD2-CG1 4.05Å; F653-I949 HydrophobicContact CD1-CG2 4.16Å; F653-I949 HydrophobicContact CE1-CB 4.16Å; F653-I949 HydrophobicContact CE1-CD1 4.12Å; F653-I949 HydrophobicContact CE1-CG1 4.12Å; F653-I949 HydrophobicContact CE1-CG2 3.51Å; F653-I949 VanDerWaalsContact CE1-CG2 3.42Å; F653-I949 HydrophobicContact CZ-CB 4.32Å; F653-I949 HydrophobicContact CZ-CG1 4.07Å; F653-I949 HydrophobicContact CZ-CG2 3.85Å; F653-W951 HydrophobicContact CB-CE3 4.16Å; F653-W951 HydrophobicContact CD1-CB 4.27Å; F653-W951 HydrophobicContact CD1-CE3 4.31Å; F653-W951 HydrophobicContact CD2-CB 4.2Å; F653-W951 HydrophobicContact CD2-CE3 4.5Å; F653-W951 HydrophobicContact CE1-CB 3.78Å; F653-W951 HydrophobicContact CE1-CG 4.47Å; F653-W951 HydrophobicContact CE2-CB 3.72Å; F653-W951 HydrophobicContact CG-CB 4.46Å; F653-W951 HydrophobicContact CG-CE3 4.08Å; F653-W951 HydrophobicContact CZ-CB 3.49Å; F653-W951 VanDerWaalsContact CZ-CB 3.49Å; F653-I952 HydrophobicContact CD2-CG1 4.44Å; F653-I952 HydrophobicContact CE2-CG1 3.83Å; F653-I952 HydrophobicContact CE2-CG2 4.39Å; F653-W953 HydrophobicContact CB-CZ2 3.55Å; F653-W953 AromaticContact CD1-CD1 3.99Å; F653-W953 AromaticContact CD1-NE1 3.59Å; F653-W953 AromaticContact CD2-CD1 3.84Å; F653-W953 AromaticContact CD2-CE2 3.58Å; F653-W953 AromaticContact CD2-CZ2 3.81Å; F653-W953 HydrophobicContact CD2-CZ2 3.81Å; F653-W953 AromaticContact CD2-NE1 2.92Å; F653-W953 AromaticContact CE1-NE1 3.89Å; F653-W953 AromaticContact CE2-CD1 3.77Å; F653-W953 AromaticContact CE2-NE1 3.49Å; F653-W953 AromaticContact CG-CD1 3.88Å; F653-W953 AromaticContact CG-CE2 3.8Å; F653-W953 HydrophobicContact CG-CZ2 4.04Å; F653-W953 AromaticContact CG-NE1 3Å; F653-W953 AromaticContact CZ-CD1 3.93Å; F653-W953 AromaticContact CZ-NE1 3.89Å; F653-W953 VanDerWaalsContact O-CZ2 3.31Å; F653-W953 WeakPolarHBondContact O-CZ2 3.37Å
654	C	92.7	Very high	87.4	Confident	0.333333 Å²	0.333333	45 Å²	45	0%	0.002	26%	0.255	C	S	.	.			trans	-63.7	136.9	-177.1	-60.3	0	0	0	0	111.6	C628 K635 K637 G638 S639 G656	C628-C654 WeakPolarHBondContact CA-SG 3.18Å; C628-C654 HydrophobicContact CB-CB 3.81Å; C628-C654 WeakPolarHBondContact CB-SG 3.45Å; C628-C654 WeakPolarHBondContact SG-CA 3.4Å; C628-C654 WeakPolarHBondContact SG-CB 3.22Å; C628-C654 CovalentContact SG-SG 2.03Å; C628-C654 PolarHBondContact SG-SG 3.02Å; K635-C654 HydrophobicContact CB-CB 4.23Å; K637-C654 CarbonylContact C-O 3.56Å; K637-C654 VanDerWaalsContact CA-O 3.28Å; K637-C654 WeakPolarHBondContact CA-O 3.34Å; G638-C654 PolarHBondContact N-O 2.98Å; S639-C654 PolarHBondContact O-N 3.01Å; S639-C654 PolarHBondContact O-SG 3.38Å; S639-C654 VanDerWaalsContact O-SG 3.33Å; C654-G656 PolarHBondContact O-N 2.99Å
655	T	88.4	Confident	87.4	Confident	39.3333 Å²	39.3333	45.2 Å²	45.2	24%	0.241	25%	0.252	C	S	.	.			trans	-72.7	-14	173.5	60.4	0	0	0	0	113	K637 F653 T657 H658 P662	K637-T655 WeakPolarHBondContact CG-O 3.28Å; F653-T655 PolarHBondContact O-N 2.83Å; T655-T657 WeakPolarHBondContact CB-OG1 3.41Å; T655-T657 PolarHBondContact O-N 2.67Å; T655-T657 PolarHBondContact OG1-N 2.92Å; T655-T657 VanDerWaalsContact OG1-N 3.17Å; T655-T657 PolarHBondContact OG1-OG1 3.12Å; T655-H658 PolarHBondContact OG1-N 2.87Å; T655-P662 HydrophobicContact CG2-CG 4.31Å
656	G	87.3	Confident	87.8	Confident	28 Å²	28	41.4 Å²	41.4	29%	0.289	23%	0.234	S	C	.	.	S	Bend	trans	75.6	-4.8	-166.7	0	0	0	0	0	114.4	L634 C654	L634-G656 VanDerWaalsContact CD1-O 3.28Å; L634-G656 WeakPolarHBondContact CD1-O 3.3Å; C654-G656 PolarHBondContact O-N 2.99Å
657	T	86.9	Confident	88.2	Confident	91 Å²	91	40.3 Å²	40.3	56%	0.558	23%	0.228	S	C	*	.	S	Bend	trans	-112.4	-20.3	-174.9	61.4	0	0	0	0	114.4	T655	T655-T657 WeakPolarHBondContact CB-OG1 3.41Å; T655-T657 PolarHBondContact O-N 2.67Å; T655-T657 PolarHBondContact OG1-N 2.92Å; T655-T657 VanDerWaalsContact OG1-N 3.17Å; T655-T657 PolarHBondContact OG1-OG1 3.12Å
658	H	85.4	Confident	88.3	Confident	116.667 Å²	116.667	38.7 Å²	38.7	54%	0.54	22%	0.221	S	C	.	.			trans	-131.6	148.3	-178.6	-65.1	-45.2	0	0	0	111.9	C628 T655	C628-H658 VanDerWaalsContact CB-O 3.28Å; C628-H658 WeakPolarHBondContact CB-O 3.45Å; T655-H658 PolarHBondContact OG1-N 2.87Å
659	P	86	Confident	88.3	Confident	33 Å²	33	41.1 Å²	41.1	21%	0.214	23%	0.233	C	C	.	.	S	Bend	trans	-85.7	-15.6	-178.3	35.4	-37.3	0	0	0	113.6	C623 H625 G626 C628 C629 L634	C623-P659 HydrophobicContact CB-CB 3.61Å; C623-P659 HydrophobicContact CB-CG 4.32Å; H625-P659 WeakPolarHBondContact O-CB 3.35Å; G626-P659 CarbonylContact C-O 3.49Å; G626-P659 VanDerWaalsContact C-O 3.25Å; G626-P659 WeakPolarHBondContact CA-O 3.27Å; C628-P659 CarbonylContact C-O 3.59Å; C628-P659 WeakPolarHBondContact CA-O 3.38Å; C628-P659 WeakPolarHBondContact CB-O 3.26Å; C628-P659 PolarHBondContact N-O 3.36Å; C629-P659 HydrophobicContact CB-CB 4.22Å; L634-P659 HydrophobicContact CD2-CB 3.74Å; L634-P659 HydrophobicContact CD2-CG 4.44Å
660	S	87.8	Confident	88.1	Confident	67.3333 Å²	67.3333	41.7 Å²	41.7	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	-78.8	154.2	165.1	-58.5	0	0	0	0	110.8
661	C	90.5	Very high	87.9	Confident	29.6667 Å²	29.6667	41.9 Å²	41.9	20%	0.2	24%	0.244	C	C	.	.			trans	-64.5	157.2	162.2	-149.5	0	0	0	0	109.2	P627 C641 E652	P627-C661 HydrophobicContact CG-CB 3.85Å; C641-C661 VanDerWaalsContact C-SG 3.55Å; C641-C661 HydrophobicContact CB-CB 3.81Å; C641-C661 WeakPolarHBondContact CB-SG 3.35Å; C641-C661 WeakPolarHBondContact SG-CA 3.35Å; C641-C661 WeakPolarHBondContact SG-CB 3.43Å; C641-C661 CovalentContact SG-SG 2.04Å; C641-C661 PolarHBondContact SG-SG 3.1Å; E652-C661 VanDerWaalsContact CB-SG 3.57Å
662	P	89.3	Confident	87.7	Confident	54 Å²	54	46.2 Å²	46.2	35%	0.351	27%	0.272	S	S	.	.			trans	-58.8	-179.5	168.3	-8.5	14	0	0	0	113.2	C641 E652 F653 T655	C641-P662 VanDerWaalsContact SG-CD 3.54Å; E652-P662 HydrophobicContact CB-CB 4.41Å; E652-P662 HydrophobicContact CB-CG 4.07Å; E652-P662 HydrophobicContact CG-CB 4.32Å; E652-P662 HydrophobicContact CG-CG 4.14Å; F653-P662 WeakPolarHBondContact O-CD 3.39Å; F653-P662 VanDerWaalsContact O-CG 3.32Å; F653-P662 WeakPolarHBondContact O-CG 3.47Å; T655-P662 HydrophobicContact CG2-CG 4.31Å
663	L	86	Confident	87.6	Confident	108.667 Å²	108.667	46 Å²	46	57%	0.569	27%	0.272	S	S	*	.			trans	-67.5	148.5	170.6	-66.9	175.4	0	0	0	110.7	L665 I1269 K1271	L663-L665 PolarHBondContact O-N 3.27Å; L663-I1269 HydrophobicContact CD1-CG2 4.01Å; L663-K1271 WeakPolarHBondContact CD2-O 3.34Å
664	D	85.8	Confident	87.1	Confident	77.6667 Å²	77.6667	48 Å²	48	42%	0.415	28%	0.283	S	S	.	.			trans	-62.3	116.9	-178.9	-160.9	-54.2	0	0	0	110.7	R642 E652 Y666 N888	R642-D664 IonicContact CZ-OD1 3.29Å; R642-D664 IonicContact CZ-OD2 3.33Å; R642-D664 IonicContact NE-OD2 3.31Å; R642-D664 PolarHBondContact NE-OD2 3.38Å; R642-D664 VanDerWaalsContact NH1-CG 3.3Å; R642-D664 IonicContact NH1-OD1 2.69Å; R642-D664 PolarHBondContact NH1-OD1 2.75Å; R642-D664 IonicContact NH1-OD2 3.14Å; R642-D664 PolarHBondContact NH1-OD2 2.89Å; R642-D664 IonicContact NH2-OD1 3.06Å; R642-D664 PolarHBondContact NH2-OD1 3.09Å; R642-D664 IonicContact NH2-OD2 3.62Å; E652-D664 VanDerWaalsContact OE1-CA 3.29Å; E652-D664 WeakPolarHBondContact OE1-CA 3.4Å; D664-Y666 WeakPolarHBondContact OD1-CD1 3.17Å; D664-N888 PolarHBondContact O-ND2 3.06Å
665	L	87.4	Confident	85.8	Confident	26.3333 Å²	26.3333	50.4 Å²	50.4	14%	0.138	30%	0.295	C	S	.	.			trans	-110.4	131.6	-178.1	-77.4	170.2	0	0	0	110	L650 E652 L663 N888 A889 F891 L944 L956	L650-L665 HydrophobicContact CB-CB 4.36Å; L650-L665 VanDerWaalsContact CB-O 3.27Å; L650-L665 WeakPolarHBondContact CB-O 3.23Å; L650-L665 HydrophobicContact CD1-CB 4.28Å; L650-L665 PolarHBondContact N-O 3.13Å; L650-L665 VanDerWaalsContact N-O 3.09Å; E652-L665 HydrophobicContact CG-CB 4.31Å; E652-L665 HydrophobicContact CG-CD1 4.39Å; E652-L665 PolarHBondContact OE1-N 2.92Å; L663-L665 PolarHBondContact O-N 3.27Å; L665-N888 WeakPolarHBondContact CA-OD1 3.46Å; L665-N888 WeakPolarHBondContact CD2-OD1 3.38Å; L665-A889 HydrophobicContact CD2-CB 3.9Å; L665-F891 HydrophobicContact CD1-CZ 4.18Å; L665-F891 HydrophobicContact CD2-CE1 4.09Å; L665-F891 HydrophobicContact CD2-CZ 4.3Å; L665-L944 HydrophobicContact CD1-CD1 3.89Å; L665-L944 HydrophobicContact CD1-CD2 4.29Å; L665-L956 HydrophobicContact CD1-CD1 4.26Å; L665-L956 HydrophobicContact CD1-CD2 4.23Å
666	Y	89.5	Confident	84.3	Confident	61.3333 Å²	61.3333	54.4 Å²	54.4	24%	0.241	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-151.8	164.9	-179	55.3	-99.7	0	0	0	111.4	C648 D664 G733 T887 N888	C648-Y666 WeakPolarHBondContact O-CB 3.44Å; D664-Y666 WeakPolarHBondContact OD1-CD1 3.17Å; Y666-G733 VanDerWaalsContact CB-CA 3.48Å; Y666-G733 VanDerWaalsContact CD2-N 3.32Å; Y666-G733 VanDerWaalsContact CG-CA 3.48Å; Y666-T887 CarbonylContact O-C 3.57Å; Y666-T887 WeakPolarHBondContact O-CA 3.29Å; Y666-N888 HydrophobicContact CD1-CB 4.35Å; Y666-N888 WeakPolarHBondContact CD1-ND2 3.28Å; Y666-N888 HydrophobicContact CD2-CB 3.66Å; Y666-N888 HydrophobicContact CE1-CB 4.21Å; Y666-N888 WeakPolarHBondContact CE1-ND2 3.27Å; Y666-N888 HydrophobicContact CE2-CB 3.49Å; Y666-N888 VanDerWaalsContact CE2-CB 3.43Å; Y666-N888 HydrophobicContact CG-CB 4.09Å; Y666-N888 PolarHBondContact N-OD1 3.08Å; Y666-N888 VanDerWaalsContact N-OD1 3.08Å; Y666-N888 WeakPolarHBondContact O-CB 3.32Å; Y666-N888 PolarHBondContact O-N 3.25Å; Y666-N888 PolarHBondContact O-OD1 3.18Å
667	L	88.9	Confident	82.2	Confident	11 Å²	11	55.3 Å²	55.3	6%	0.058	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-67	139.7	178.8	-60.1	-172.6	0	0	0	111.3	C648 L650 L885 C886 L893	C648-L667 PolarHBondContact O-N 3.23Å; L650-L667 HydrophobicContact CD1-CD2 4.31Å; L650-L667 HydrophobicContact CD2-CD2 4.15Å; L650-L667 HydrophobicContact CD2-CG 4.43Å; L650-L667 HydrophobicContact CG-CD2 4.45Å; L667-L885 HydrophobicContact CD1-CD1 4.14Å; L667-L885 HydrophobicContact CD2-CB 3.93Å; L667-L885 HydrophobicContact CD2-CD1 4.16Å; L667-C886 WeakPolarHBondContact CA-O 3.27Å; L667-L893 HydrophobicContact CD2-CD1 4.45Å
668	E	87.6	Confident	79.8	Confident	22.3333 Å²	22.3333	56.1 Å²	56.1	10%	0.104	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-60.4	144.1	-177.9	-169.4	173	-133.5	0	0	111.5	G670 S671 S857 N858 C886	E668-G670 PolarHBondContact O-N 3.15Å; E668-S671 WeakPolarHBondContact O-CB 3.35Å; E668-S671 PolarHBondContact O-N 2.89Å; E668-S671 PolarHBondContact O-OG 3.2Å; E668-S857 WeakPolarHBondContact OE2-CA 3.42Å; E668-S857 WeakPolarHBondContact OE2-CB 3.38Å; E668-S857 PolarHBondContact OE2-OG 3.45Å; E668-N858 WeakPolarHBondContact OE1-CB 3.42Å; E668-N858 PolarHBondContact OE1-N 2.98Å; E668-N858 PolarHBondContact OE1-ND2 3.25Å; E668-N858 PolarHBondContact OE2-N 3.14Å; E668-C886 HydrophobicContact CB-CB 4.12Å; E668-C886 VanDerWaalsContact CD-SG 3.6Å; E668-C886 PolarHBondContact N-O 3.06Å; E668-C886 PolarHBondContact OE2-SG 3.2Å
669	N	87.8	Confident	77.5	Confident	49.6667 Å²	49.6667	57.7 Å²	57.7	27%	0.266	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	128.3	-179.6	-61.7	-27	0	0	0	110.5	C730 Y731 Q732 F855	N669-C730 CarbonylContact C-O 3.54Å; N669-C730 VanDerWaalsContact CA-O 3.3Å; N669-C730 WeakPolarHBondContact CA-O 3.31Å; N669-Y731 HydrophobicContact CB-CD2 4.2Å; N669-Y731 HydrophobicContact CB-CE2 4.43Å; N669-Y731 WeakPolarHBondContact OD1-CA 3.45Å; N669-Q732 PolarHBondContact OD1-N 3.33Å; N669-F855 HydrophobicContact CB-CD1 3.92Å; N669-F855 HydrophobicContact CB-CE1 3.4Å; N669-F855 VanDerWaalsContact CB-CE1 3.46Å; N669-F855 HydrophobicContact CB-CZ 3.95Å; N669-F855 WeakPolarHBondContact O-CD1 3.38Å; N669-F855 WeakPolarHBondContact O-CG 3.26Å
670	G	85.1	Confident	75	Confident	22 Å²	22	59.8 Å²	59.8	23%	0.227	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	101	-8.9	-173.5	0	0	0	0	0	115.1	E668 C730 F855	E668-G670 PolarHBondContact O-N 3.15Å; G670-C730 PolarHBondContact N-O 3.12Å; G670-F855 VanDerWaalsContact CA-CD2 3.45Å; G670-F855 VanDerWaalsContact CA-CE2 3.44Å
671	S	85.9	Confident	72.4	Confident	18.3333 Å²	18.3333	63.3 Å²	63.3	13%	0.128	35%	0.354	C	S	.	.			trans	-61.8	138.5	169.5	-57.4	0	0	0	0	110.7	E668 L729 C730	E668-S671 WeakPolarHBondContact O-CB 3.35Å; E668-S671 PolarHBondContact O-N 2.89Å; E668-S671 PolarHBondContact O-OG 3.2Å; S671-L729 CarbonylContact O-C 3.4Å; S671-L729 WeakPolarHBondContact O-CA 3.43Å; S671-C730 WeakPolarHBondContact O-CB 3.41Å; S671-C730 PolarHBondContact O-N 3.12Å; S671-C730 PolarHBondContact O-SG 3.18Å; S671-C730 VanDerWaalsContact O-SG 3.37Å
672	P	84.3	Confident	69.6	Low	98.6667 Å²	98.6667	69.2 Å²	69.2	64%	0.641	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.8	-178.3	30.1	-34.6	0	0	0	112.3
673	C	87.9	Confident	66.8	Low	4 Å²	4	69.5 Å²	69.5	3%	0.027	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.2	175	70.9	0	0	0	0	111.8	Q647 C648 S728 C735	Q647-C673 HydrophobicContact CB-CB 4.29Å; Q647-C673 HydrophobicContact CG-CB 3.76Å; C648-C673 VanDerWaalsContact SG-CB 3.53Å; C648-C673 WeakPolarHBondContact SG-CB 3.26Å; C648-C673 VanDerWaalsContact SG-SG 3.65Å; C673-S728 PolarHBondContact N-O 3.12Å; C673-S728 PolarHBondContact O-N 3.18Å; C673-S728 VanDerWaalsContact O-O 3.12Å; C673-S728 PolarHBondContact SG-O 2.86Å; C673-S728 PolarHBondContact SG-OG 2.62Å; C673-S728 VanDerWaalsContact SG-OG 3.35Å; C673-C735 HydrophobicContact CB-CB 3.88Å; C673-C735 WeakPolarHBondContact CB-SG 3.4Å; C673-C735 WeakPolarHBondContact SG-CA 3.28Å; C673-C735 WeakPolarHBondContact SG-CB 3.37Å; C673-C735 CovalentContact SG-SG 2.05Å; C673-C735 PolarHBondContact SG-SG 3.28Å
674	L	78.4	Confident	64	Low	49.3333 Å²	49.3333	70.8 Å²	70.8	26%	0.258	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.4	-174.3	-72.2	168.3	0	0	0	111.9	Q647 Q676 V723 H726 K727 I940	Q647-L674 PolarHBondContact NE2-O 3.01Å; Q647-L674 PolarHBondContact OE1-O 2.76Å; L674-Q676 PolarHBondContact O-N 3.17Å; L674-Q676 VanDerWaalsContact O-N 3.15Å; L674-V723 HydrophobicContact CD2-CG1 4.35Å; L674-H726 WeakPolarHBondContact CA-O 3.29Å; L674-K727 HydrophobicContact CD2-CG 4.01Å; L674-I940 HydrophobicContact CB-CD1 4.22Å; L674-I940 HydrophobicContact CD1-CD1 3.66Å; L674-I940 HydrophobicContact CD1-CG1 4.04Å
675	I	65.9	Low	61.4	Low	50 Å²	50	73.9 Å²	73.9	26%	0.256	43%	0.429	S	S	.	.			trans	-71.3	119.9	175.9	-52.7	175.4	0	0	0	109.2	S677 H726 S728 T737 R967	I675-S677 VanDerWaalsContact C-N 3.35Å; I675-S677 PolarHBondContact O-N 2.89Å; I675-S677 VanDerWaalsContact O-N 3.09Å; I675-H726 HydrophobicContact CB-CB 4.15Å; I675-H726 WeakPolarHBondContact CB-O 3.02Å; I675-H726 HydrophobicContact CG1-CB 4.44Å; I675-H726 PolarHBondContact N-O 3.03Å; I675-S728 WeakPolarHBondContact CG1-OG 3.32Å; I675-T737 HydrophobicContact CD1-CG2 3.72Å; I675-T737 VanDerWaalsContact CD1-CG2 3.41Å; I675-T737 HydrophobicContact CG1-CG2 3.75Å; I675-T737 HydrophobicContact CG2-CG2 4.22Å; I675-R967 PolarHBondContact O-NH2 3.35Å
676	Q	55.8	Low	58.6	Low	124 Å²	124	78.3 Å²	78.3	58%	0.579	46%	0.463	S	S	*	.			trans	-71	96.5	164.5	-71.9	-167.9	4.5	0	0	108.7	L674 T678 Y963	L674-Q676 PolarHBondContact O-N 3.17Å; L674-Q676 VanDerWaalsContact O-N 3.15Å; Q676-T678 HydrophobicContact CB-CG2 4.33Å; Q676-T678 PolarHBondContact O-N 3Å; Q676-T678 PolarHBondContact O-OG1 3.02Å; Q676-Y963 HydrophobicContact CG-CD1 3.55Å; Q676-Y963 HydrophobicContact CG-CE1 3.43Å; Q676-Y963 VanDerWaalsContact CG-CE1 3.43Å; Q676-Y963 VanDerWaalsContact NE2-CZ 3.27Å
677	S	43.7	Very low	55.9	Low	46 Å²	46	79.7 Å²	79.7	32%	0.322	49%	0.486	S	S	.	.			trans	-74.3	78.7	179.5	61.4	0	0	0	0	111.4	I675 Q679 S680 H726	I675-S677 VanDerWaalsContact C-N 3.35Å; I675-S677 PolarHBondContact O-N 2.89Å; I675-S677 VanDerWaalsContact O-N 3.09Å; S677-Q679 PolarHBondContact O-N 3.27Å; S677-S680 PolarHBondContact O-OG 3.2Å; S677-S680 PolarHBondContact OG-OG 2.9Å; S677-H726 WeakPolarHBondContact CB-NE2 2.97Å
678	T	37.3	Very low	53.3	Low	108 Å²	108	84.3 Å²	84.3	66%	0.663	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	43.3	-179	47.1	0	0	0	0	113.6	Q676	Q676-T678 HydrophobicContact CB-CG2 4.33Å; Q676-T678 PolarHBondContact O-N 3Å; Q676-T678 PolarHBondContact O-OG1 3.02Å
679	Q	37	Very low	50.7	Low	150 Å²	150	88 Å²	88	70%	0.701	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157	-4.6	178.2	-115	152.8	79.1	0	0	115.8	S677 L681 L682	S677-Q679 PolarHBondContact O-N 3.27Å; Q679-L681 PolarHBondContact O-N 2.74Å; Q679-L681 VanDerWaalsContact O-N 3.1Å; Q679-L682 PolarHBondContact O-N 2.86Å
680	S	32.4	Very low	48.2	Very low	78.3333 Å²	78.3333	91.7 Å²	91.7	55%	0.548	57%	0.573	S	S	.	*	S	Bend	trans	-98.8	-10.8	-171.3	60	0	0	0	0	116.2	S677 H726	S677-S680 PolarHBondContact O-OG 3.2Å; S677-S680 PolarHBondContact OG-OG 2.9Å; S680-H726 PolarHBondContact OG-NE2 3.11Å
681	L	34.4	Very low	45.7	Very low	141 Å²	141	95.7 Å²	95.7	74%	0.738	60%	0.597	S	S	*	*	S	Bend	trans	-122.2	1.8	-173.9	-97	162.6	0	0	0	115.9	Q679 L971	Q679-L681 PolarHBondContact O-N 2.74Å; Q679-L681 VanDerWaalsContact O-N 3.1Å; L681-L971 HydrophobicContact CD1-CD1 4.36Å
682	L	30.8	Very low	43.3	Very low	151.667 Å²	151.667	102.9 Å²	102.9	79%	0.794	63%	0.633	S	S	*	*			trans	-121.7	65	175.7	-88.6	159.9	0	0	0	111.5	Q679 T684 F974	Q679-L682 PolarHBondContact O-N 2.86Å; L682-T684 PolarHBondContact O-N 3.17Å; L682-F974 HydrophobicContact CD2-CZ 3.8Å; L682-F974 HydrophobicContact CG-CE2 4.43Å; L682-F974 HydrophobicContact CG-CZ 4.1Å
683	G	30.2	Very low	40.8	Very low	61.6667 Å²	61.6667	103.6 Å²	103.6	64%	0.636	64%	0.641	S	S	*	*			trans	-72.3	119.4	171.7	0	0	0	0	0	111.9
684	T	28.1	Very low	38.2	Very low	136.333 Å²	136.333	107.8 Å²	107.8	84%	0.836	68%	0.675	S	S	*	*			trans	59	98	159.5	64	0	0	0	0	117.8	L682	L682-T684 PolarHBondContact O-N 3.17Å
685	V	30.7	Very low	36.1	Very low	141.667 Å²	141.667	113.5 Å²	113.5	86%	0.859	71%	0.705	S	S	*	*			trans	-167.7	93.6	148.8	-169.3	0	0	0	0	111.9
686	S	28.4	Very low	34.5	Very low	119.667 Å²	119.667	116 Å²	116	84%	0.837	73%	0.727	S	S	*	*			trans	-128.5	75.6	171.3	56.1	0	0	0	0	111.8
687	A	32.6	Very low	33.6	Very low	89 Å²	89	115.2 Å²	115.2	74%	0.736	74%	0.735	S	S	*	*			trans	-155.8	109.4	172.8	0	0	0	0	0	113.7
688	S	35.6	Very low	33.3	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	76%	0.755	S	S	*	*			trans	41.3	110.8	156.3	54.1	0	0	0	0	117.4
689	S	33	Very low	33.1	Very low	100.333 Å²	100.333	117.8 Å²	117.8	70%	0.702	76%	0.758	S	S	*	*			trans	-30.2	152.9	153	57.5	0	0	0	0	117.6	S691	S689-S691 PolarHBondContact O-N 2.81Å; S689-S691 VanDerWaalsContact O-N 3.11Å
690	T	34.2	Very low	33.1	Very low	127 Å²	127	118.2 Å²	118.2	78%	0.779	76%	0.763	S	S	*	*			trans	51.3	92.9	150.4	48.8	0	0	0	0	118.3
691	S	34	Very low	33.1	Very low	104.667 Å²	104.667	119.8 Å²	119.8	73%	0.732	77%	0.77	S	S	*	*			trans	53.1	133	136.4	56.4	0	0	0	0	116.1	S689	S689-S691 PolarHBondContact O-N 2.81Å; S689-S691 VanDerWaalsContact O-N 3.11Å
692	L	33.8	Very low	33	Very low	170.333 Å²	170.333	118.9 Å²	118.9	89%	0.892	77%	0.77	S	S	*	*			trans	168.2	109.6	146.7	-91.5	162.1	0	0	0	112.8
693	S	31.9	Very low	33.2	Very low	114.333 Å²	114.333	117.7 Å²	117.7	80%	0.8	77%	0.769	S	S	*	*			trans	-87.5	126.1	163.7	52.5	0	0	0	0	110.6
694	A	34.7	Very low	33.6	Very low	90.6667 Å²	90.6667	119.9 Å²	119.9	75%	0.749	78%	0.775	S	S	*	*			trans	165.7	134.7	167.3	0	0	0	0	0	114
695	L	34.1	Very low	33.9	Very low	170.333 Å²	170.333	119.3 Å²	119.3	89%	0.892	77%	0.772	S	S	*	*			trans	-85.6	100.6	159	-80.7	130.8	0	0	0	114.8
696	S	32.5	Very low	34.2	Very low	102 Å²	102	119.7 Å²	119.7	71%	0.713	77%	0.774	S	S	*	*			trans	-57.1	156.1	149.8	58.9	0	0	0	0	115.6
697	S	36.3	Very low	34.4	Very low	106.667 Å²	106.667	119.6 Å²	119.6	75%	0.746	77%	0.768	S	S	*	*			trans	79.7	125.1	160.7	-48.4	0	0	0	0	117.8
698	S	37.1	Very low	34.5	Very low	107.333 Å²	107.333	122.2 Å²	122.2	75%	0.751	78%	0.775	S	S	*	*				93	115.2	108	-25.2	0	0	0	0	118.1
699	S	34.3	Very low	34.4	Very low	102.667 Å²	102.667	124.8 Å²	124.8	72%	0.718	78%	0.775	S	S	*	*			trans	9.3	152.2	138.2	60.9	0	0	0	0	119.1
700	I	36	Very low	34.4	Very low	156.667 Å²	156.667	129.6 Å²	129.6	80%	0.803	78%	0.783	S	S	*	*			trans	159.5	139.6	131.8	-84	161.8	0	0	0	113.5
701	T	32.5	Very low	34.2	Very low	113.333 Å²	113.333	130 Å²	130	70%	0.695	78%	0.78	S	S	*	*			trans	-85.9	141.9	-158.7	46.8	0	0	0	0	115.3
702	T	32.1	Very low	34.1	Very low	121.333 Å²	121.333	132 Å²	132	74%	0.744	78%	0.783	S	S	*	*				62.3	131.7	127	52.6	0	0	0	0	120.2
703	T	35.8	Very low	33.9	Very low	126 Å²	126	132.9 Å²	132.9	77%	0.773	78%	0.782	S	S	*	*			trans	104.6	136.9	135	50.4	0	0	0	0	117.4
704	S	37.7	Very low	33.8	Very low	108 Å²	108	131.5 Å²	131.5	76%	0.755	77%	0.773	S	S	*	*				-166.5	123.2	127.2	-62.7	0	0	0	0	113.7
705	T	34.3	Very low	33.6	Very low	125 Å²	125	131.8 Å²	131.8	77%	0.767	77%	0.769	S	S	*	*			trans	39.3	124.8	139.6	57.2	0	0	0	0	117.2
706	T	37.2	Very low	33.5	Very low	149.333 Å²	149.333	127.9 Å²	127.9	92%	0.916	76%	0.756	S	S	*	*			trans	-139.9	138.2	136.4	24.5	0	0	0	0	110.6
707	V	33	Very low	33.4	Very low	117 Å²	117	126.6 Å²	126.6	71%	0.709	75%	0.747	S	S	*	*			trans	-82.9	136	-166.3	175.3	0	0	0	0	113.3	Q709	V707-Q709 HydrophobicContact CG1-CB 4.48Å; V707-Q709 HydrophobicContact CG1-CG 4.12Å
708	V	35.5	Very low	33.3	Very low	144.667 Å²	144.667	128.1 Å²	128.1	88%	0.877	74%	0.742	S	S	*	*			trans	-128.3	110.7	145.5	179.7	0	0	0	0	108
709	Q	32.1	Very low	33.2	Very low	163.333 Å²	163.333	128.3 Å²	128.3	76%	0.763	74%	0.735	S	S	*	*			trans	-81.4	140.7	169.3	-77.6	179.6	-50.6	0	0	110.3	V707	V707-Q709 HydrophobicContact CG1-CB 4.48Å; V707-Q709 HydrophobicContact CG1-CG 4.12Å
710	K	32.6	Very low	33.2	Very low	200.333 Å²	200.333	128.4 Å²	128.4	87%	0.871	73%	0.727	S	S	*	*			trans	-126.2	124.8	154.9	-105.5	176.3	-177.3	179.3	0	109.9
711	N	31.8	Very low	32.9	Very low	135 Å²	135	128.4 Å²	128.4	72%	0.722	72%	0.718	S	S	*	*			trans	-96.4	144.2	170.8	-66.6	-18.2	0	0	0	109.4	H713	N711-H713 PolarHBondContact O-N 2.96Å
712	N	30.3	Very low	33.1	Very low	148.333 Å²	148.333	127.3 Å²	127.3	79%	0.793	71%	0.708	S	S	*	*			trans	-153.5	132.9	140.7	-79.5	-14.7	0	0	0	111.8	S714	N712-S714 PolarHBondContact O-N 2.89Å
713	H	29.5	Very low	33.8	Very low	188.667 Å²	188.667	124.5 Å²	124.5	87%	0.873	69%	0.69	S	S	*	*			trans	-96.7	89.1	178.3	-78	-97.4	0	0	0	113.8	N711 S715	N711-H713 PolarHBondContact O-N 2.96Å; H713-S715 PolarHBondContact O-N 3.29Å
714	S	31.4	Very low	34.1	Very low	85.6667 Å²	85.6667	123 Å²	123	60%	0.599	67%	0.674	S	S	*	*			trans	-145.7	9	173.4	62.2	0	0	0	0	116.5	N712 S717	N712-S714 PolarHBondContact O-N 2.89Å; S714-S717 VanDerWaalsContact C-OG 3.3Å; S714-S717 WeakPolarHBondContact CA-OG 3.32Å; S714-S717 PolarHBondContact O-OG 3.11Å; S714-S717 VanDerWaalsContact O-OG 3.14Å
715	S	30	Very low	34.7	Very low	96.6667 Å²	96.6667	121.9 Å²	121.9	68%	0.676	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-25.2	-169.2	43.1	0	0	0	0	115.5	H713 S717 Q718	H713-S715 PolarHBondContact O-N 3.29Å; S715-S717 VanDerWaalsContact C-N 3.31Å; S715-S717 PolarHBondContact O-N 2.03Å; S715-Q718 PolarHBondContact O-N 3.25Å
716	S	30.8	Very low	35.9	Very low	88 Å²	88	118.3 Å²	118.3	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-72	-27.4	-178.1	19.4	0	0	0	0	114	Q718 L719 N720	S716-Q718 VanDerWaalsContact C-N 3.29Å; S716-Q718 PolarHBondContact O-N 3.1Å; S716-L719 PolarHBondContact O-N 3.47Å; S716-L719 VanDerWaalsContact O-N 3.14Å; S716-N720 PolarHBondContact O-N 2.89Å
717	S	32.2	Very low	37.7	Very low	74.6667 Å²	74.6667	114.2 Å²	114.2	52%	0.522	60%	0.604	S	S	.	*	H	α-helix	trans	-71.6	-30.9	-179.7	51.8	0	0	0	0	113.6	S714 S715 L719 Y721	S714-S717 VanDerWaalsContact C-OG 3.3Å; S714-S717 WeakPolarHBondContact CA-OG 3.32Å; S714-S717 PolarHBondContact O-OG 3.11Å; S714-S717 VanDerWaalsContact O-OG 3.14Å; S715-S717 VanDerWaalsContact C-N 3.31Å; S715-S717 PolarHBondContact O-N 2.03Å; S717-L719 PolarHBondContact O-N 3.16Å; S717-Y721 WeakPolarHBondContact O-CB 3.3Å; S717-Y721 PolarHBondContact O-N 2.73Å; S717-Y721 VanDerWaalsContact O-N 3.14Å
718	Q	33	Very low	40.2	Very low	138 Å²	138	108.7 Å²	108.7	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-71.2	-30.4	-179.3	-70.6	-173.9	-24	0	0	113	S715 S716 Y721 L722	S715-Q718 PolarHBondContact O-N 3.25Å; S716-Q718 VanDerWaalsContact C-N 3.29Å; S716-Q718 PolarHBondContact O-N 3.1Å; Q718-Y721 PolarHBondContact O-N 3.37Å; Q718-L722 WeakPolarHBondContact O-CB 3.35Å; Q718-L722 WeakPolarHBondContact O-CG 3.32Å; Q718-L722 PolarHBondContact O-N 3.19Å; Q718-L722 VanDerWaalsContact O-N 3.14Å
719	L	34.7	Very low	42.7	Very low	112 Å²	112	102.2 Å²	102.2	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-70.2	-43.1	178.7	-166.1	67.2	0	0	0	111.4	S716 S717 Y721 L722 V723	S716-L719 PolarHBondContact O-N 3.47Å; S716-L719 VanDerWaalsContact O-N 3.14Å; S717-L719 PolarHBondContact O-N 3.16Å; L719-Y721 VanDerWaalsContact C-N 3.34Å; L719-Y721 PolarHBondContact O-N 3.42Å; L719-L722 WeakPolarHBondContact O-CB 3.27Å; L719-L722 PolarHBondContact O-N 3.16Å; L719-V723 WeakPolarHBondContact O-CG2 3.32Å; L719-V723 PolarHBondContact O-N 3.16Å; L719-V723 VanDerWaalsContact O-N 3.14Å
720	N	33.9	Very low	45.4	Very low	105.333 Å²	105.333	94.4 Å²	94.4	56%	0.563	49%	0.494	S	S	*	.	H	α-helix	trans	-63.6	-41.7	175.8	-70.4	4.6	0	0	0	111.5	S716 L722 V723 E724	S716-N720 PolarHBondContact O-N 2.89Å; N720-L722 VanDerWaalsContact C-N 3.29Å; N720-L722 PolarHBondContact O-N 2.74Å; N720-V723 WeakPolarHBondContact O-CA 3.37Å; N720-V723 WeakPolarHBondContact O-CB 3.27Å; N720-V723 PolarHBondContact O-N 2.93Å; N720-V723 VanDerWaalsContact O-N 3.14Å; N720-E724 PolarHBondContact O-N 2.97Å; N720-E724 VanDerWaalsContact O-N 3.13Å
721	Y	30.8	Very low	48.1	Very low	156.667 Å²	156.667	87.3 Å²	87.3	61%	0.614	46%	0.462	S	S	*	.	H	α-helix	trans	-62.4	-34.1	176.1	-163.8	-94.8	0	0	0	112.7	S717 Q718 L719 N725	S717-Y721 WeakPolarHBondContact O-CB 3.3Å; S717-Y721 PolarHBondContact O-N 2.73Å; S717-Y721 VanDerWaalsContact O-N 3.14Å; Q718-Y721 PolarHBondContact O-N 3.37Å; L719-Y721 VanDerWaalsContact C-N 3.34Å; L719-Y721 PolarHBondContact O-N 3.42Å; Y721-N725 WeakPolarHBondContact CE1-ND2 3.45Å; Y721-N725 PolarHBondContact O-N 3.25Å; Y721-N725 PolarHBondContact O-ND2 2.88Å
722	L	37.6	Very low	50.7	Low	90.3333 Å²	90.3333	86.4 Å²	86.4	47%	0.473	45%	0.454	S	S	.	.	H	α-helix	trans	-69.4	-37.1	172.1	-83.9	162.6	0	0	0	112.6	Q718 L719 N720 N725 H726	Q718-L722 WeakPolarHBondContact O-CB 3.35Å; Q718-L722 WeakPolarHBondContact O-CG 3.32Å; Q718-L722 PolarHBondContact O-N 3.19Å; Q718-L722 VanDerWaalsContact O-N 3.14Å; L719-L722 WeakPolarHBondContact O-CB 3.27Å; L719-L722 PolarHBondContact O-N 3.16Å; N720-L722 VanDerWaalsContact C-N 3.29Å; N720-L722 PolarHBondContact O-N 2.74Å; L722-N725 PolarHBondContact O-N 3.04Å; L722-H726 PolarHBondContact O-CD2 3.15Å; L722-H726 PolarHBondContact O-N 2.99Å
723	V	45.1	Very low	53.3	Low	62 Å²	62	79.6 Å²	79.6	38%	0.376	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-39.2	178.5	171	0	0	0	0	111.9	L674 L719 N720 N725 H726 K727	L674-V723 HydrophobicContact CD2-CG1 4.35Å; L719-V723 WeakPolarHBondContact O-CG2 3.32Å; L719-V723 PolarHBondContact O-N 3.16Å; L719-V723 VanDerWaalsContact O-N 3.14Å; N720-V723 WeakPolarHBondContact O-CA 3.37Å; N720-V723 WeakPolarHBondContact O-CB 3.27Å; N720-V723 PolarHBondContact O-N 2.93Å; N720-V723 VanDerWaalsContact O-N 3.14Å; V723-N725 PolarHBondContact O-N 3.08Å; V723-H726 CarbonylContact O-C 3.22Å; V723-H726 PolarHBondContact O-N 2.98Å; V723-H726 VanDerWaalsContact O-N 3.11Å; V723-K727 PolarHBondContact O-N 3.18Å
724	E	42	Very low	56.1	Low	95 Å²	95	76.8 Å²	76.8	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-65.2	-39.5	178.4	-72.2	178.2	157.9	0	0	113.1	N720 H726 K727	N720-E724 PolarHBondContact O-N 2.97Å; N720-E724 VanDerWaalsContact O-N 3.13Å; E724-H726 PolarHBondContact O-N 3.11Å; E724-H726 VanDerWaalsContact O-N 3.13Å; E724-K727 PolarHBondContact O-N 3.02Å
725	N	50.8	Low	58.8	Low	84.6667 Å²	84.6667	73.5 Å²	73.5	45%	0.453	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-3.9	176.4	-75.2	-78.4	0	0	0	113.8	Y721 L722 V723	Y721-N725 WeakPolarHBondContact CE1-ND2 3.45Å; Y721-N725 PolarHBondContact O-N 3.25Å; Y721-N725 PolarHBondContact O-ND2 2.88Å; L722-N725 PolarHBondContact O-N 3.04Å; V723-N725 PolarHBondContact O-N 3.08Å
726	H	60.3	Low	61.5	Low	48.6667 Å²	48.6667	69.6 Å²	69.6	23%	0.225	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	19.5	-179.2	-68.7	-30.1	0	0	0	113.7	L674 I675 S677 S680 L722 V723 E724	L674-H726 WeakPolarHBondContact CA-O 3.29Å; I675-H726 HydrophobicContact CB-CB 4.15Å; I675-H726 WeakPolarHBondContact CB-O 3.02Å; I675-H726 HydrophobicContact CG1-CB 4.44Å; I675-H726 PolarHBondContact N-O 3.03Å; S677-H726 WeakPolarHBondContact CB-NE2 2.97Å; S680-H726 PolarHBondContact OG-NE2 3.11Å; L722-H726 PolarHBondContact O-CD2 3.15Å; L722-H726 PolarHBondContact O-N 2.99Å; V723-H726 CarbonylContact O-C 3.22Å; V723-H726 PolarHBondContact O-N 2.98Å; V723-H726 VanDerWaalsContact O-N 3.11Å; E724-H726 PolarHBondContact O-N 3.11Å; E724-H726 VanDerWaalsContact O-N 3.13Å
727	K	73.4	Confident	64.2	Low	63.6667 Å²	63.6667	66.1 Å²	66.1	28%	0.277	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.7	167.1	-65.5	171.6	-175.7	171.1	0	110.6	L674 V723 E724 S836	L674-K727 HydrophobicContact CD2-CG 4.01Å; V723-K727 PolarHBondContact O-N 3.18Å; E724-K727 PolarHBondContact O-N 3.02Å; K727-S836 VanDerWaalsContact O-CB 3.26Å; K727-S836 WeakPolarHBondContact O-CB 3.27Å
728	S	85.7	Confident	67	Low	2 Å²	2	63.9 Å²	63.9	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	168.4	166.6	28.4	0	0	0	0	109.4	C673 I675 C735 P736	C673-S728 PolarHBondContact N-O 3.12Å; C673-S728 PolarHBondContact O-N 3.18Å; C673-S728 VanDerWaalsContact O-O 3.12Å; C673-S728 PolarHBondContact SG-O 2.86Å; C673-S728 PolarHBondContact SG-OG 2.62Å; C673-S728 VanDerWaalsContact SG-OG 3.35Å; I675-S728 WeakPolarHBondContact CG1-OG 3.32Å; S728-C735 PolarHBondContact OG-SG 2.91Å; S728-P736 WeakPolarHBondContact CB-O 3.35Å
729	L	88.5	Confident	69.6	Low	6.66667 Å²	6.66667	60.2 Å²	60.2	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.2	173.2	-56.9	-175.5	0	0	0	110.6	S671 Y731 P736 G834 Y842 F844 P851 F855	S671-L729 CarbonylContact O-C 3.4Å; S671-L729 WeakPolarHBondContact O-CA 3.43Å; L729-Y731 PolarHBondContact O-N 3.12Å; L729-P736 WeakPolarHBondContact O-CD 3.31Å; L729-P736 VanDerWaalsContact O-CG 3.24Å; L729-P736 WeakPolarHBondContact O-CG 3.22Å; L729-G834 PolarHBondContact N-O 3.16Å; L729-Y842 HydrophobicContact CD1-CD1 4.25Å; L729-Y842 HydrophobicContact CD1-CD2 3.57Å; L729-Y842 HydrophobicContact CD1-CE2 3.97Å; L729-Y842 HydrophobicContact CD1-CG 3.72Å; L729-Y842 HydrophobicContact CD2-CD1 4.46Å; L729-Y842 HydrophobicContact CD2-CD2 4.41Å; L729-Y842 HydrophobicContact CD2-CE1 4.07Å; L729-Y842 HydrophobicContact CD2-CE2 4.01Å; L729-Y842 HydrophobicContact CG-CD1 3.7Å; L729-Y842 HydrophobicContact CG-CD2 3.84Å; L729-Y842 HydrophobicContact CG-CE1 3.81Å; L729-Y842 HydrophobicContact CG-CE2 3.94Å; L729-Y842 HydrophobicContact CG-CG 3.71Å; L729-F844 HydrophobicContact CD1-CE2 4.19Å; L729-F844 HydrophobicContact CD1-CZ 4.28Å; L729-P851 HydrophobicContact CD1-CB 3.96Å; L729-P851 HydrophobicContact CD1-CG 4.04Å; L729-F855 HydrophobicContact CD1-CD2 4.42Å; L729-F855 HydrophobicContact CD1-CE2 4.15Å
730	C	90.1	Very high	72.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.275	C	S	.	.			trans	-53.7	134.4	171.8	-65.5	0	0	0	0	111.1	C648 N669 G670 S671 R734	C648-C730 VanDerWaalsContact CA-SG 3.55Å; C648-C730 HydrophobicContact CB-CB 3.63Å; C648-C730 WeakPolarHBondContact CB-SG 3.36Å; C648-C730 WeakPolarHBondContact SG-CA 3.23Å; C648-C730 WeakPolarHBondContact SG-CB 3.38Å; C648-C730 CovalentContact SG-SG 2.03Å; C648-C730 PolarHBondContact SG-SG 2.92Å; N669-C730 CarbonylContact C-O 3.54Å; N669-C730 VanDerWaalsContact CA-O 3.3Å; N669-C730 WeakPolarHBondContact CA-O 3.31Å; G670-C730 PolarHBondContact N-O 3.12Å; S671-C730 WeakPolarHBondContact O-CB 3.41Å; S671-C730 PolarHBondContact O-N 3.12Å; S671-C730 PolarHBondContact O-SG 3.18Å; S671-C730 VanDerWaalsContact O-SG 3.37Å; C730-R734 WeakPolarHBondContact CA-O 3.32Å
731	Y	88.7	Confident	74.7	Confident	52 Å²	52	53 Å²	53	20%	0.204	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-146.1	121.7	176.4	-164.9	-105.1	0	0	0	110.3	N669 L729 G733 R734 E833 F844 F855	N669-Y731 HydrophobicContact CB-CD2 4.2Å; N669-Y731 HydrophobicContact CB-CE2 4.43Å; N669-Y731 WeakPolarHBondContact OD1-CA 3.45Å; L729-Y731 PolarHBondContact O-N 3.12Å; Y731-G733 VanDerWaalsContact C-N 3.28Å; Y731-G733 PolarHBondContact O-N 3.12Å; Y731-R734 PolarHBondContact N-O 3.04Å; Y731-R734 PolarHBondContact O-N 2.63Å; Y731-R734 VanDerWaalsContact O-N 3.13Å; Y731-E833 WeakPolarHBondContact CB-O 3.33Å; Y731-E833 HydrophobicContact CD1-CB 3.97Å; Y731-E833 HydrophobicContact CD2-CB 4.09Å; Y731-E833 HydrophobicContact CE1-CB 3.77Å; Y731-E833 HydrophobicContact CE1-CG 4.27Å; Y731-E833 VanDerWaalsContact CE1-OE2 3.28Å; Y731-E833 WeakPolarHBondContact CE1-OE2 3.35Å; Y731-E833 HydrophobicContact CE2-CB 4.13Å; Y731-E833 WeakPolarHBondContact CE2-OE2 3.31Å; Y731-E833 HydrophobicContact CG-CB 4.3Å; Y731-E833 VanDerWaalsContact CZ-OE2 3.26Å; Y731-E833 PolarHBondContact OH-OE2 2.98Å; Y731-F844 AromaticContact CD2-CE1 3.92Å; Y731-F844 HydrophobicContact CD2-CE1 3.92Å; Y731-F844 HydrophobicContact CE2-CD1 4.37Å; Y731-F844 HydrophobicContact CE2-CE1 4.06Å; Y731-F855 HydrophobicContact CD2-CE1 4.41Å; Y731-F855 HydrophobicContact CD2-CZ 4.29Å; Y731-F855 HydrophobicContact CE2-CE1 4.37Å; Y731-F855 HydrophobicContact CE2-CZ 4.46Å
732	Q	86.2	Confident	77.7	Confident	115.667 Å²	115.667	45.5 Å²	45.5	54%	0.54	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.7	-177.3	-58.8	-178.3	1.5	0	0	112.7	N669 R734	N669-Q732 PolarHBondContact OD1-N 3.33Å; Q732-R734 VanDerWaalsContact C-N 3.32Å; Q732-R734 PolarHBondContact O-N 3.05Å
733	G	85.4	Confident	80.2	Confident	4.66667 Å²	4.66667	45 Å²	45	5%	0.048	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	21.1	178	0	0	0	0	0	115.5	D649 Y666 Y731	D649-G733 WeakPolarHBondContact CB-O 3.21Å; Y666-G733 VanDerWaalsContact CB-CA 3.48Å; Y666-G733 VanDerWaalsContact CD2-N 3.32Å; Y666-G733 VanDerWaalsContact CG-CA 3.48Å; Y731-G733 VanDerWaalsContact C-N 3.28Å; Y731-G733 PolarHBondContact O-N 3.12Å
734	R	87	Confident	82.2	Confident	130 Å²	130	46.4 Å²	46.4	49%	0.491	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-130.4	160.1	175.8	-66.2	-176.4	175.9	-173.2	-3.3	112.1	F645 D646 C648 C730 Y731 Q732 P736	F645-R734 HydrophobicContact CD1-CG 4.44Å; D646-R734 VanDerWaalsContact OD2-CA 3.27Å; D646-R734 WeakPolarHBondContact OD2-CA 3.29Å; C648-R734 VanDerWaalsContact CB-C 3.5Å; C648-R734 VanDerWaalsContact SG-C 3.51Å; C648-R734 PolarHBondContact SG-O 3.02Å; C648-R734 VanDerWaalsContact SG-O 3.34Å; C730-R734 WeakPolarHBondContact CA-O 3.32Å; Y731-R734 PolarHBondContact N-O 3.04Å; Y731-R734 PolarHBondContact O-N 2.63Å; Y731-R734 VanDerWaalsContact O-N 3.13Å; Q732-R734 VanDerWaalsContact C-N 3.32Å; Q732-R734 PolarHBondContact O-N 3.05Å; R734-P736 WeakPolarHBondContact O-CD 3.26Å
735	C	89.1	Confident	84.5	Confident	16 Å²	16	42 Å²	42	11%	0.108	20%	0.201	C	C	.	.			trans	-97.4	90.8	169.3	-167.7	0	0	0	0	110.7	D646 Q647 C673 S728	D646-C735 VanDerWaalsContact CG-N 3.34Å; D646-C735 WeakPolarHBondContact OD1-CB 3Å; D646-C735 PolarHBondContact OD1-N 2.97Å; D646-C735 VanDerWaalsContact OD1-N 3.11Å; D646-C735 PolarHBondContact OD2-N 3.16Å; Q647-C735 HydrophobicContact CG-CB 4.48Å; Q647-C735 PolarHBondContact NE2-SG 2.95Å; Q647-C735 VanDerWaalsContact NE2-SG 3.41Å; C673-C735 HydrophobicContact CB-CB 3.88Å; C673-C735 WeakPolarHBondContact CB-SG 3.4Å; C673-C735 WeakPolarHBondContact SG-CA 3.28Å; C673-C735 WeakPolarHBondContact SG-CB 3.37Å; C673-C735 CovalentContact SG-SG 2.05Å; C673-C735 PolarHBondContact SG-SG 3.28Å; S728-C735 PolarHBondContact OG-SG 2.91Å
736	P	86.9	Confident	86.5	Confident	15 Å²	15	38 Å²	38	10%	0.097	18%	0.18	C	C	.	.			trans	-73.4	128.4	-172.1	29.1	-37.8	0	0	0	113.3	S728 L729 R734 P832 E833	S728-P736 WeakPolarHBondContact CB-O 3.35Å; L729-P736 WeakPolarHBondContact O-CD 3.31Å; L729-P736 VanDerWaalsContact O-CG 3.24Å; L729-P736 WeakPolarHBondContact O-CG 3.22Å; R734-P736 WeakPolarHBondContact O-CD 3.26Å; P736-P832 HydrophobicContact CB-CB 3.9Å; P736-P832 HydrophobicContact CB-CG 4.04Å; P736-E833 VanDerWaalsContact CB-O 3.26Å; P736-E833 WeakPolarHBondContact CB-O 3.3Å; P736-E833 WeakPolarHBondContact CG-O 3.39Å
737	T	87.2	Confident	87.9	Confident	14.6667 Å²	14.6667	36.3 Å²	36.3	9%	0.09	18%	0.175	C	C	.	.			trans	-138.2	152.1	175.3	89.9	0	0	0	0	111.1	I675 H739 S740 Q741	I675-T737 HydrophobicContact CD1-CG2 3.72Å; I675-T737 VanDerWaalsContact CD1-CG2 3.41Å; I675-T737 HydrophobicContact CG1-CG2 3.75Å; I675-T737 HydrophobicContact CG2-CG2 4.22Å; T737-H739 VanDerWaalsContact C-N 3.3Å; T737-H739 PolarHBondContact O-N 2.96Å; T737-H739 PolarHBondContact OG1-N 3.2Å; T737-S740 PolarHBondContact O-OG 3.21Å; T737-S740 WeakPolarHBondContact OG1-CB 3.28Å; T737-S740 PolarHBondContact OG1-N 2.96Å; T737-S740 PolarHBondContact OG1-OG 3.12Å; T737-Q741 WeakPolarHBondContact O-CB 3.06Å; T737-Q741 PolarHBondContact O-N 2.97Å
738	R	90	Very high	88.4	Confident	29 Å²	29	41 Å²	41	11%	0.109	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-37	172.7	-68.7	-173.3	-57.1	-91	-18.8	111.8	Q741 C742 E752 L786 V831 S836	R738-Q741 PolarHBondContact O-N 2.91Å; R738-C742 WeakPolarHBondContact O-CB 3.37Å; R738-C742 PolarHBondContact O-N 3.1Å; R738-C742 PolarHBondContact O-SG 2.65Å; R738-E752 HydrophobicContact CB-CB 3.96Å; R738-E752 WeakPolarHBondContact CB-OE2 3.26Å; R738-E752 IonicContact CZ-OE2 2.87Å; R738-E752 IonicContact NE-OE2 3.03Å; R738-E752 PolarHBondContact NE-OE2 3.07Å; R738-E752 IonicContact NH2-OE1 3.29Å; R738-E752 IonicContact NH2-OE2 2.76Å; R738-E752 PolarHBondContact NH2-OE2 2.99Å; R738-L786 HydrophobicContact CB-CD1 3.94Å; R738-L786 HydrophobicContact CG-CD1 3.97Å; R738-V831 HydrophobicContact CG-CG1 3.83Å; R738-V831 HydrophobicContact CG-CG2 4.14Å; R738-S836 PolarHBondContact NH1-O 3.17Å
739	H	88.6	Confident	88.6	Confident	61 Å²	61	48.7 Å²	48.7	28%	0.282	23%	0.234	S	C	.	.	H	α-helix	trans	-61.7	-56.9	178.7	-173.7	106.6	0	0	0	111.8	T737 Q741 C742 E743	T737-H739 VanDerWaalsContact C-N 3.3Å; T737-H739 PolarHBondContact O-N 2.96Å; T737-H739 PolarHBondContact OG1-N 3.2Å; H739-Q741 VanDerWaalsContact C-N 3.27Å; H739-Q741 PolarHBondContact O-N 2.97Å; H739-C742 WeakPolarHBondContact O-CB 3.3Å; H739-C742 PolarHBondContact O-N 2.87Å; H739-E743 PolarHBondContact O-N 3.36Å
740	S	86.2	Confident	88.7	Confident	47.6667 Å²	47.6667	48.5 Å²	48.5	33%	0.333	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-29.1	-179.2	57.4	0	0	0	0	112.9	T737 M744	T737-S740 PolarHBondContact O-OG 3.21Å; T737-S740 WeakPolarHBondContact OG1-CB 3.28Å; T737-S740 PolarHBondContact OG1-N 2.96Å; T737-S740 PolarHBondContact OG1-OG 3.12Å; S740-M744 VanDerWaalsContact O-CB 3.23Å; S740-M744 WeakPolarHBondContact O-CB 3.34Å; S740-M744 PolarHBondContact O-N 2.9Å
741	Q	89.9	Confident	88.8	Confident	17 Å²	17	50.1 Å²	50.1	8%	0.079	24%	0.243	C	C	.	.	H	α-helix	trans	-71.8	-38.9	170.2	-169	175.6	-22	0	0	112.6	T737 R738 H739 E743 M744 I745 L786 V828 F830 P832	T737-Q741 WeakPolarHBondContact O-CB 3.06Å; T737-Q741 PolarHBondContact O-N 2.97Å; R738-Q741 PolarHBondContact O-N 2.91Å; H739-Q741 VanDerWaalsContact C-N 3.27Å; H739-Q741 PolarHBondContact O-N 2.97Å; Q741-E743 VanDerWaalsContact C-N 3.35Å; Q741-M744 HydrophobicContact CB-CE 4.41Å; Q741-M744 HydrophobicContact CG-CE 4.1Å; Q741-M744 PolarHBondContact O-N 3.26Å; Q741-I745 HydrophobicContact CG-CD1 3.81Å; Q741-I745 HydrophobicContact CG-CG1 4.42Å; Q741-I745 WeakPolarHBondContact O-CB 3.4Å; Q741-I745 WeakPolarHBondContact O-CD1 3.18Å; Q741-I745 WeakPolarHBondContact O-CG1 3.25Å; Q741-I745 PolarHBondContact O-N 2.95Å; Q741-L786 HydrophobicContact CB-CD2 4.04Å; Q741-L786 HydrophobicContact CG-CD2 3.67Å; Q741-V828 PolarHBondContact NE2-O 3.24Å; Q741-F830 PolarHBondContact NE2-O 3.38Å; Q741-F830 PolarHBondContact OE1-O 2.72Å; Q741-P832 HydrophobicContact CB-CG 4.47Å; Q741-P832 VanDerWaalsContact OE1-CB 3.26Å; Q741-P832 VanDerWaalsContact OE1-CG 3.23Å
742	C	92.8	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-43.1	172.9	-73.6	0	0	0	0	112	R738 H739 I745 W746 A750 T751 C788	R738-C742 WeakPolarHBondContact O-CB 3.37Å; R738-C742 PolarHBondContact O-N 3.1Å; R738-C742 PolarHBondContact O-SG 2.65Å; H739-C742 WeakPolarHBondContact O-CB 3.3Å; H739-C742 PolarHBondContact O-N 2.87Å; C742-I745 PolarHBondContact O-N 3.01Å; C742-W746 VanDerWaalsContact O-CD1 3.3Å; C742-W746 PolarHBondContact O-N 2.98Å; C742-A750 HydrophobicContact CB-CB 4.47Å; C742-A750 WeakPolarHBondContact O-CB 3.3Å; C742-T751 WeakPolarHBondContact CB-O 3.34Å; C742-T751 PolarHBondContact SG-O 2.76Å; C742-C788 WeakPolarHBondContact CA-SG 3.48Å; C742-C788 HydrophobicContact CB-CB 3.72Å; C742-C788 WeakPolarHBondContact CB-SG 3.34Å; C742-C788 VanDerWaalsContact SG-CA 3.53Å; C742-C788 WeakPolarHBondContact SG-CB 3.32Å; C742-C788 CovalentContact SG-SG 2.03Å; C742-C788 PolarHBondContact SG-SG 3.28Å
743	E	90	Very high	89.2	Confident	80.3333 Å²	80.3333	45.4 Å²	45.4	38%	0.375	22%	0.223	S	C	.	.	H	α-helix	trans	-61.7	-46.8	174.5	-165.9	-174.8	-172.5	0	0	111.9	H739 Q741 I745 W746 G747	H739-E743 PolarHBondContact O-N 3.36Å; Q741-E743 VanDerWaalsContact C-N 3.35Å; E743-I745 VanDerWaalsContact C-N 3.26Å; E743-I745 PolarHBondContact O-N 3.09Å; E743-W746 PolarHBondContact O-N 3.32Å; E743-G747 CarbonylContact O-C 3.55Å; E743-G747 WeakPolarHBondContact O-CA 3.37Å; E743-G747 PolarHBondContact O-N 2.98Å
744	M	88.1	Confident	89.5	Confident	90 Å²	90	46.9 Å²	46.9	44%	0.443	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-31	175.2	179.2	177.8	21.7	0	0	113.2	S740 Q741 S797	S740-M744 VanDerWaalsContact O-CB 3.23Å; S740-M744 WeakPolarHBondContact O-CB 3.34Å; S740-M744 PolarHBondContact O-N 2.9Å; Q741-M744 HydrophobicContact CB-CE 4.41Å; Q741-M744 HydrophobicContact CG-CE 4.1Å; Q741-M744 PolarHBondContact O-N 3.26Å; M744-S797 VanDerWaalsContact O-CB 3.23Å; M744-S797 WeakPolarHBondContact O-CB 3.37Å; M744-S797 PolarHBondContact O-OG 3.13Å
745	I	89.9	Confident	89.7	Confident	2.33333 Å²	2.33333	44 Å²	44	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-83.7	-48	-179.5	-70.1	168.5	0	0	0	111.8	Q741 C742 E743 L786 P795 V796 A800 L822 V828	Q741-I745 HydrophobicContact CG-CD1 3.81Å; Q741-I745 HydrophobicContact CG-CG1 4.42Å; Q741-I745 WeakPolarHBondContact O-CB 3.4Å; Q741-I745 WeakPolarHBondContact O-CD1 3.18Å; Q741-I745 WeakPolarHBondContact O-CG1 3.25Å; Q741-I745 PolarHBondContact O-N 2.95Å; C742-I745 PolarHBondContact O-N 3.01Å; E743-I745 VanDerWaalsContact C-N 3.26Å; E743-I745 PolarHBondContact O-N 3.09Å; I745-L786 HydrophobicContact CD1-CD2 3.85Å; I745-P795 HydrophobicContact CG2-CB 4.26Å; I745-P795 CarbonylContact O-C 3.51Å; I745-P795 WeakPolarHBondContact O-CA 3.35Å; I745-P795 WeakPolarHBondContact O-CB 3.32Å; I745-V796 WeakPolarHBondContact O-CG2 3.08Å; I745-V796 PolarHBondContact O-N 3.03Å; I745-A800 HydrophobicContact CB-CB 4.4Å; I745-A800 HydrophobicContact CG1-CB 4.22Å; I745-A800 HydrophobicContact CG2-CB 3.97Å; I745-L822 HydrophobicContact CD1-CD1 4.19Å; I745-L822 HydrophobicContact CG2-CD1 3.96Å; I745-L822 HydrophobicContact CG2-CD2 4.43Å; I745-L822 HydrophobicContact CG2-CG 4.4Å; I745-V828 HydrophobicContact CD1-CB 4.18Å; I745-V828 HydrophobicContact CD1-CG2 3.96Å; I745-V828 VanDerWaalsContact CD1-O 3.23Å; I745-V828 WeakPolarHBondContact CD1-O 3.35Å; I745-V828 HydrophobicContact CG1-CB 4.49Å; I745-V828 HydrophobicContact CG1-CG2 4.02Å
746	W	92.1	Very high	89.8	Confident	2 Å²	2	46 Å²	46	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-111.5	-4.9	-169.5	-49.6	99.6	0	0	0	114.3	C742 E743 A750 C788 R792 P795 P805 K820 L822	C742-W746 VanDerWaalsContact O-CD1 3.3Å; C742-W746 PolarHBondContact O-N 2.98Å; E743-W746 PolarHBondContact O-N 3.32Å; W746-A750 HydrophobicContact CB-CB 3.68Å; W746-A750 HydrophobicContact CG-CB 4.44Å; W746-C788 PolarHBondContact NE1-SG 3.09Å; W746-R792 VanDerWaalsContact CE3-O 3.32Å; W746-R792 VanDerWaalsContact O-CB 3.3Å; W746-R792 WeakPolarHBondContact O-CB 3.33Å; W746-R792 WeakPolarHBondContact O-CG 3.43Å; W746-R792 PolarHBondContact O-N 2.93Å; W746-P795 HydrophobicContact CE3-CG 4.27Å; W746-P795 HydrophobicContact CH2-CG 4.39Å; W746-P795 HydrophobicContact CZ3-CG 3.96Å; W746-P805 HydrophobicContact CH2-CB 3.49Å; W746-P805 VanDerWaalsContact CH2-CB 3.49Å; W746-P805 HydrophobicContact CZ3-CB 3.63Å; W746-K820 HydrophobicContact CD2-CD 4.28Å; W746-K820 HydrophobicContact CE3-CD 4.45Å; W746-K820 HydrophobicContact CH2-CB 4.4Å; W746-K820 HydrophobicContact CZ2-CB 3.87Å; W746-L822 HydrophobicContact CH2-CD2 3.9Å; W746-L822 HydrophobicContact CZ2-CD2 3.96Å; W746-L822 HydrophobicContact CZ2-CG 4.38Å
747	G	89.6	Confident	90.1	Very high	12.3333 Å²	12.3333	45.3 Å²	45.3	13%	0.127	23%	0.228	C	C	.	.			trans	94.6	170.4	-179.2	0	0	0	0	0	114.1	E743 Q749 A750	E743-G747 CarbonylContact O-C 3.55Å; E743-G747 WeakPolarHBondContact O-CA 3.37Å; E743-G747 PolarHBondContact O-N 2.98Å; G747-Q749 PolarHBondContact O-N 2.91Å; G747-A750 WeakPolarHBondContact O-CB 3.29Å; G747-A750 PolarHBondContact O-N 3.02Å; G747-A750 VanDerWaalsContact O-N 3.09Å
748	E	85.1	Confident	90.4	Very high	163.333 Å²	163.333	44.6 Å²	44.6	76%	0.763	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-38.7	-12.1	178.7	-138.9	175.9	-170.6	0	0	115.8	A750	E748-A750 VanDerWaalsContact C-N 3.27Å; E748-A750 PolarHBondContact O-N 2.72Å
749	Q	89.1	Confident	90.6	Very high	164 Å²	164	46.2 Å²	46.2	77%	0.766	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	8.1	-178	-59.7	-176.6	-18.6	0	0	114.5	G747 G790 G791	G747-Q749 PolarHBondContact O-N 2.91Å; Q749-G790 CarbonylContact O-C 3.43Å; Q749-G791 VanDerWaalsContact C-N 3.3Å; Q749-G791 PolarHBondContact O-N 3.2Å
750	A	91.4	Very high	90.7	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.1	178	0	0	0	0	0	111.7	C742 W746 G747 E748 Q789	C742-A750 HydrophobicContact CB-CB 4.47Å; C742-A750 WeakPolarHBondContact O-CB 3.3Å; W746-A750 HydrophobicContact CB-CB 3.68Å; W746-A750 HydrophobicContact CG-CB 4.44Å; G747-A750 WeakPolarHBondContact O-CB 3.29Å; G747-A750 PolarHBondContact O-N 3.02Å; G747-A750 VanDerWaalsContact O-N 3.09Å; E748-A750 VanDerWaalsContact C-N 3.27Å; E748-A750 PolarHBondContact O-N 2.72Å; A750-Q789 WeakPolarHBondContact CA-O 3.42Å
751	T	91.5	Very high	90.9	Very high	35 Å²	35	43.9 Å²	43.9	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	167.4	-178.8	61.8	0	0	0	0	109.7	C742 C788 Q789	C742-T751 WeakPolarHBondContact CB-O 3.34Å; C742-T751 PolarHBondContact SG-O 2.76Å; T751-C788 CarbonylContact O-C 3.58Å; T751-C788 VanDerWaalsContact O-CA 3.28Å; T751-C788 WeakPolarHBondContact O-CA 3.41Å; T751-C788 WeakPolarHBondContact O-CB 2.85Å; T751-Q789 PolarHBondContact N-O 3Å; T751-Q789 PolarHBondContact O-N 3.27Å; T751-Q789 WeakPolarHBondContact OG1-CG 3.43Å; T751-Q789 PolarHBondContact OG1-NE2 3.29Å; T751-Q789 VanDerWaalsContact OG1-NE2 3.14Å; T751-Q789 PolarHBondContact OG1-O 3.36Å
752	E	90.7	Very high	91	Very high	64.6667 Å²	64.6667	43.1 Å²	43.1	30%	0.302	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	141.6	167.1	62.7	179.3	169.8	0	0	110.4	R738 Q789	R738-E752 HydrophobicContact CB-CB 3.96Å; R738-E752 WeakPolarHBondContact CB-OE2 3.26Å; R738-E752 IonicContact CZ-OE2 2.87Å; R738-E752 IonicContact NE-OE2 3.03Å; R738-E752 PolarHBondContact NE-OE2 3.07Å; R738-E752 IonicContact NH2-OE1 3.29Å; R738-E752 IonicContact NH2-OE2 2.76Å; R738-E752 PolarHBondContact NH2-OE2 2.99Å; E752-Q789 VanDerWaalsContact O-CD 3.31Å; E752-Q789 WeakPolarHBondContact O-CG 3.35Å; E752-Q789 PolarHBondContact O-NE2 2.9Å; E752-Q789 VanDerWaalsContact O-NE2 3.09Å
753	A	92.3	Very high	90.9	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.033	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.6	162.3	175	0	0	0	0	0	111	D755 C757 F758 Q787 Q789	A753-D755 PolarHBondContact O-N 3.38Å; A753-C757 HydrophobicContact CB-CB 3.73Å; A753-F758 HydrophobicContact CB-CE2 4.41Å; A753-F758 WeakPolarHBondContact O-CE2 3.37Å; A753-Q787 HydrophobicContact CB-CB 3.76Å; A753-Q787 WeakPolarHBondContact CB-O 3.35Å; A753-Q787 PolarHBondContact N-O 3.13Å; A753-Q789 HydrophobicContact CB-CB 4.46Å
754	S	91.6	Very high	90.8	Very high	36 Å²	36	48.4 Å²	48.4	25%	0.252	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-49.3	141.4	166.7	177.1	0	0	0	0	111.7	Y756 C757 F817	S754-Y756 PolarHBondContact O-N 3.25Å; S754-Y756 PolarHBondContact OG-N 3.22Å; S754-C757 WeakPolarHBondContact O-CB 3.3Å; S754-C757 PolarHBondContact O-N 2.8Å; S754-F817 VanDerWaalsContact CB-CD1 3.49Å; S754-F817 WeakPolarHBondContact OG-CE1 3.33Å
755	D	90.7	Very high	90.5	Very high	69.6667 Å²	69.6667	45.9 Å²	45.9	37%	0.373	23%	0.229	S	C	.	.	H	α-helix	trans	-45.8	-32.9	172.2	-76.7	-13.5	0	0	0	113.2	A753 C757 F758 H759 K782	A753-D755 PolarHBondContact O-N 3.38Å; D755-C757 VanDerWaalsContact C-N 3.31Å; D755-C757 PolarHBondContact O-N 3.14Å; D755-F758 WeakPolarHBondContact O-CB 3.44Å; D755-F758 PolarHBondContact O-N 3.27Å; D755-F758 VanDerWaalsContact O-N 3.15Å; D755-H759 PolarHBondContact O-CD2 3.07Å; D755-H759 PolarHBondContact O-N 3.13Å; D755-K782 VanDerWaalsContact CG-CE 3.42Å; D755-K782 WeakPolarHBondContact OD1-CE 3.39Å; D755-K782 IonicContact OD1-NZ 2.9Å; D755-K782 PolarHBondContact OD1-NZ 3.24Å; D755-K782 VanDerWaalsContact OD2-CE 3.29Å; D755-K782 WeakPolarHBondContact OD2-CE 3.34Å; D755-K782 IonicContact OD2-NZ 2.73Å; D755-K782 PolarHBondContact OD2-NZ 2.98Å
756	Y	91.7	Very high	90.1	Very high	57.6667 Å²	57.6667	51.3 Å²	51.3	23%	0.226	26%	0.258	C	S	.	.	H	α-helix	trans	-55.9	-41.5	174	176.7	-112.7	0	0	0	112.9	S754 F758 H759 L760 E811 H812 F817	S754-Y756 PolarHBondContact O-N 3.25Å; S754-Y756 PolarHBondContact OG-N 3.22Å; Y756-F758 PolarHBondContact O-N 3.01Å; Y756-H759 PolarHBondContact O-N 3.47Å; Y756-L760 HydrophobicContact CE1-CD2 3.86Å; Y756-L760 HydrophobicContact CE2-CB 4.34Å; Y756-L760 WeakPolarHBondContact O-CB 3.36Å; Y756-L760 PolarHBondContact O-N 3.02Å; Y756-E811 PolarHBondContact OH-O 3.16Å; Y756-H812 HydrophobicContact CD1-CB 3.94Å; Y756-H812 HydrophobicContact CD2-CB 4.17Å; Y756-H812 AromaticContact CD2-CD2 3.97Å; Y756-H812 AromaticContact CD2-CG 3.88Å; Y756-H812 HydrophobicContact CE1-CB 3.6Å; Y756-H812 HydrophobicContact CE2-CB 3.88Å; Y756-H812 AromaticContact CE2-CD2 3.48Å; Y756-H812 VanDerWaalsContact CE2-CD2 3.47Å; Y756-H812 WeakPolarHBondContact CE2-CD2 3.3Å; Y756-H812 AromaticContact CE2-CG 3.7Å; Y756-H812 HydrophobicContact CG-CB 4.2Å; Y756-H812 AromaticContact CZ-CD2 3.92Å; Y756-H812 AromaticContact CZ-CG 3.92Å; Y756-F817 HydrophobicContact CD1-CB 4.46Å; Y756-F817 AromaticContact CD1-CD2 3.94Å; Y756-F817 HydrophobicContact CD1-CD2 3.96Å; Y756-F817 HydrophobicContact CD1-CE2 4.49Å; Y756-F817 HydrophobicContact CD1-CG 4.34Å; Y756-F817 HydrophobicContact CE1-CD2 4.41Å
757	C	93.9	Very high	89.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-42.7	176.3	-72.5	0	0	0	0	111.7	A753 S754 D755 H761 Q787 E818 C819	A753-C757 HydrophobicContact CB-CB 3.73Å; S754-C757 WeakPolarHBondContact O-CB 3.3Å; S754-C757 PolarHBondContact O-N 2.8Å; D755-C757 VanDerWaalsContact C-N 3.31Å; D755-C757 PolarHBondContact O-N 3.14Å; C757-H761 WeakPolarHBondContact O-CB 3.29Å; C757-H761 PolarHBondContact O-N 3.14Å; C757-H761 PolarHBondContact O-ND1 2.94Å; C757-Q787 HydrophobicContact CB-CB 3.98Å; C757-Q787 HydrophobicContact CB-CG 4.2Å; C757-E818 PolarHBondContact SG-O 2.85Å; C757-C819 HydrophobicContact CB-CB 3.71Å; C757-C819 WeakPolarHBondContact CB-SG 3.41Å; C757-C819 VanDerWaalsContact SG-CA 3.55Å; C757-C819 WeakPolarHBondContact SG-CB 3.31Å; C757-C819 CovalentContact SG-SG 2.04Å; C757-C819 PolarHBondContact SG-SG 2.91Å
758	F	93.7	Very high	89.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-53.3	177	-72.2	-87.6	0	0	0	110.9	A753 D755 Y756 L760 N762 L786 Q787 V831	A753-F758 HydrophobicContact CB-CE2 4.41Å; A753-F758 WeakPolarHBondContact O-CE2 3.37Å; D755-F758 WeakPolarHBondContact O-CB 3.44Å; D755-F758 PolarHBondContact O-N 3.27Å; D755-F758 VanDerWaalsContact O-N 3.15Å; Y756-F758 PolarHBondContact O-N 3.01Å; F758-L760 VanDerWaalsContact C-N 3.32Å; F758-L760 PolarHBondContact O-N 3.22Å; F758-N762 WeakPolarHBondContact O-CB 3.22Å; F758-N762 PolarHBondContact O-N 3.08Å; F758-L786 HydrophobicContact CE1-CD1 4.42Å; F758-L786 HydrophobicContact CZ-CD1 4.33Å; F758-Q787 HydrophobicContact CD1-CB 4.14Å; F758-Q787 HydrophobicContact CD1-CG 3.94Å; F758-Q787 HydrophobicContact CD2-CB 4.05Å; F758-Q787 HydrophobicContact CD2-CG 4.44Å; F758-Q787 HydrophobicContact CE1-CB 3.94Å; F758-Q787 HydrophobicContact CE1-CG 4.13Å; F758-Q787 VanDerWaalsContact CE1-N 3.35Å; F758-Q787 HydrophobicContact CE2-CB 3.84Å; F758-Q787 HydrophobicContact CG-CB 4.18Å; F758-Q787 HydrophobicContact CG-CG 4.09Å; F758-Q787 HydrophobicContact CZ-CB 3.77Å; F758-Q787 HydrophobicContact CZ-CG 4.45Å; F758-Q787 VanDerWaalsContact CZ-O 3.22Å; F758-Q787 WeakPolarHBondContact CZ-O 3.38Å; F758-V831 HydrophobicContact CE1-CG2 3.88Å
759	H	92.8	Very high	89.4	Confident	62.3333 Å²	62.3333	44.2 Å²	44.2	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-41.1	178.9	-68.3	-64.8	0	0	0	112.4	D755 Y756 H761 T763 I778 A781	D755-H759 PolarHBondContact O-CD2 3.07Å; D755-H759 PolarHBondContact O-N 3.13Å; Y756-H759 PolarHBondContact O-N 3.47Å; H759-H761 PolarHBondContact O-N 2.93Å; H759-T763 WeakPolarHBondContact O-CB 3.22Å; H759-T763 VanDerWaalsContact O-CG2 3.27Å; H759-T763 WeakPolarHBondContact O-CG2 3.43Å; H759-T763 PolarHBondContact O-N 3.47Å; H759-T763 PolarHBondContact O-OG1 2.89Å; H759-T763 VanDerWaalsContact O-OG1 3.1Å; H759-I778 PolarHBondContact CE1-O 3.07Å; H759-I778 PolarHBondContact ND1-O 3.22Å; H759-A781 WeakPolarHBondContact ND1-CB 3.33Å
760	L	90.7	Very high	88.6	Confident	34.6667 Å²	34.6667	37 Å²	37	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-65.2	-49.5	-179.2	175.3	63.7	0	0	0	112.7	Y756 F758 K764 T810	Y756-L760 HydrophobicContact CE1-CD2 3.86Å; Y756-L760 HydrophobicContact CE2-CB 4.34Å; Y756-L760 WeakPolarHBondContact O-CB 3.36Å; Y756-L760 PolarHBondContact O-N 3.02Å; F758-L760 VanDerWaalsContact C-N 3.32Å; F758-L760 PolarHBondContact O-N 3.22Å; L760-K764 HydrophobicContact CD1-CD 4.19Å; L760-K764 VanDerWaalsContact CD1-NZ 3.28Å; L760-K764 VanDerWaalsContact O-CD 3.31Å; L760-K764 WeakPolarHBondContact O-CD 3.3Å; L760-K764 VanDerWaalsContact O-CG 3.32Å; L760-K764 WeakPolarHBondContact O-CG 3.26Å; L760-T810 HydrophobicContact CD2-CG2 3.76Å
761	H	90.5	Very high	87.2	Confident	25.6667 Å²	25.6667	43.5 Å²	43.5	12%	0.119	23%	0.234	C	C	.	.	H	α-helix	trans	-83.7	-43.5	-173.5	-92.2	81.5	0	0	0	111.5	C757 H759 T763 K764 T765 Y821	C757-H761 WeakPolarHBondContact O-CB 3.29Å; C757-H761 PolarHBondContact O-N 3.14Å; C757-H761 PolarHBondContact O-ND1 2.94Å; H759-H761 PolarHBondContact O-N 2.93Å; H761-T763 VanDerWaalsContact C-N 3.31Å; H761-T763 PolarHBondContact O-N 2.56Å; H761-K764 CarbonylContact O-C 3.51Å; H761-K764 PolarHBondContact O-N 3.23Å; H761-K764 VanDerWaalsContact O-N 3.09Å; H761-T765 PolarHBondContact CD2-OG1 2.72Å; H761-T765 VanDerWaalsContact O-CB 3.26Å; H761-T765 WeakPolarHBondContact O-CB 3.33Å; H761-T765 PolarHBondContact O-N 3.09Å; H761-T765 PolarHBondContact O-OG1 3.04Å; H761-T765 VanDerWaalsContact O-OG1 3.13Å; H761-Y821 AromaticContact CD2-CE1 3.62Å; H761-Y821 AromaticContact CD2-CZ 3.92Å; H761-Y821 AromaticContact CE1-CE1 3.76Å; H761-Y821 AromaticContact NE2-CE1 3.14Å; H761-Y821 WeakPolarHBondContact NE2-CE1 3.05Å; H761-Y821 AromaticContact NE2-CZ 3.27Å; H761-Y821 VanDerWaalsContact NE2-CZ 3.27Å; H761-Y821 PolarHBondContact NE2-OH 3.43Å; H761-Y821 VanDerWaalsContact NE2-OH 3.14Å
762	N	92.7	Very high	85.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-77.8	-22.3	-168.1	-59.6	-6.2	0	0	0	112.5	F758 K764 A768 C776 A781 L785 Q787	F758-N762 WeakPolarHBondContact O-CB 3.22Å; F758-N762 PolarHBondContact O-N 3.08Å; N762-K764 VanDerWaalsContact C-N 3.31Å; N762-A768 HydrophobicContact CB-CB 4.03Å; N762-A768 WeakPolarHBondContact O-CB 3.45Å; N762-C776 HydrophobicContact CB-CB 4.24Å; N762-C776 VanDerWaalsContact O-CB 3.3Å; N762-C776 WeakPolarHBondContact O-CB 3.27Å; N762-C776 PolarHBondContact O-N 3.17Å; N762-A781 HydrophobicContact CB-CB 4.4Å; N762-A781 PolarHBondContact ND2-O 3.05Å; N762-L785 PolarHBondContact ND2-N 3.23Å; N762-L785 PolarHBondContact ND2-O 2.92Å; N762-L785 WeakPolarHBondContact OD1-CB 3.42Å; N762-Q787 PolarHBondContact OD1-NE2 2.99Å
763	T	90.6	Very high	84.5	Confident	41.3333 Å²	41.3333	48 Å²	48	25%	0.254	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.7	170.5	71.1	0	0	0	0	113.9	H759 H761 I778 A781	H759-T763 WeakPolarHBondContact O-CB 3.22Å; H759-T763 VanDerWaalsContact O-CG2 3.27Å; H759-T763 WeakPolarHBondContact O-CG2 3.43Å; H759-T763 PolarHBondContact O-N 3.47Å; H759-T763 PolarHBondContact O-OG1 2.89Å; H759-T763 VanDerWaalsContact O-OG1 3.1Å; H761-T763 VanDerWaalsContact C-N 3.31Å; H761-T763 PolarHBondContact O-N 2.56Å; T763-I778 HydrophobicContact CG2-CG1 4.33Å; T763-A781 HydrophobicContact CG2-CB 4.16Å
764	K	87.4	Confident	83.7	Confident	150 Å²	150	53.4 Å²	53.4	65%	0.652	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-10.9	-177.2	-63	-175.5	-174.6	176.7	0	114.6	L760 H761 N762	L760-K764 HydrophobicContact CD1-CD 4.19Å; L760-K764 VanDerWaalsContact CD1-NZ 3.28Å; L760-K764 VanDerWaalsContact O-CD 3.31Å; L760-K764 WeakPolarHBondContact O-CD 3.3Å; L760-K764 VanDerWaalsContact O-CG 3.32Å; L760-K764 WeakPolarHBondContact O-CG 3.26Å; H761-K764 CarbonylContact O-C 3.51Å; H761-K764 PolarHBondContact O-N 3.23Å; H761-K764 VanDerWaalsContact O-N 3.09Å; N762-K764 VanDerWaalsContact C-N 3.31Å
765	T	82.5	Confident	83.4	Confident	38.3333 Å²	38.3333	57 Å²	57	24%	0.235	30%	0.299	C	S	.	.	S	Bend	trans	-104.3	118.7	-178.3	-57.1	0	0	0	0	110.2	H761 G767 A768	H761-T765 PolarHBondContact CD2-OG1 2.72Å; H761-T765 VanDerWaalsContact O-CB 3.26Å; H761-T765 WeakPolarHBondContact O-CB 3.33Å; H761-T765 PolarHBondContact O-N 3.09Å; H761-T765 PolarHBondContact O-OG1 3.04Å; H761-T765 VanDerWaalsContact O-OG1 3.13Å; T765-G767 PolarHBondContact O-N 3.17Å; T765-A768 HydrophobicContact CG2-CB 4.41Å; T765-A768 WeakPolarHBondContact O-CB 3.39Å; T765-A768 PolarHBondContact O-N 3.02Å; T765-A768 VanDerWaalsContact O-N 3.15Å
766	D	81	Confident	83.4	Confident	115.333 Å²	115.333	53.9 Å²	53.9	62%	0.617	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	128	175.5	-64.7	-27.3	0	0	0	111.1	A768 G773	D766-A768 VanDerWaalsContact C-N 3.34Å; D766-G773 CarbonylContact C-O 3.54Å; D766-G773 VanDerWaalsContact CA-O 3.31Å; D766-G773 WeakPolarHBondContact CA-O 3.31Å; D766-G773 VanDerWaalsContact CB-O 3.32Å; D766-G773 WeakPolarHBondContact CB-O 3.29Å
767	G	79.9	Confident	83.3	Confident	5 Å²	5	54.4 Å²	54.4	5%	0.052	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	22.1	-177.2	0	0	0	0	0	114.1	T765 G770 G773 Q774 R829	T765-G767 PolarHBondContact O-N 3.17Å; G767-G770 WeakPolarHBondContact CA-O 3.32Å; G767-G773 PolarHBondContact N-O 3.09Å; G767-Q774 WeakPolarHBondContact CA-O 3.4Å; G767-Q774 PolarHBondContact N-O 3.09Å; G767-Q774 VanDerWaalsContact N-O 3.09Å; G767-R829 PolarHBondContact O-NH2 3.01Å
768	A	86.1	Confident	83.1	Confident	0.666667 Å²	0.666667	60.5 Å²	60.5	1%	0.006	32%	0.323	C	S	.	.	S	Bend	trans	-74.1	-32.1	166.8	0	0	0	0	0	112.4	N762 T765 D766 Q774 G784 L785 F830	N762-A768 HydrophobicContact CB-CB 4.03Å; N762-A768 WeakPolarHBondContact O-CB 3.45Å; T765-A768 HydrophobicContact CG2-CB 4.41Å; T765-A768 WeakPolarHBondContact O-CB 3.39Å; T765-A768 PolarHBondContact O-N 3.02Å; T765-A768 VanDerWaalsContact O-N 3.15Å; D766-A768 VanDerWaalsContact C-N 3.34Å; A768-Q774 PolarHBondContact N-O 2.95Å; A768-G784 CarbonylContact O-C 3.59Å; A768-G784 VanDerWaalsContact O-C 3.29Å; A768-G784 WeakPolarHBondContact O-CA 3.24Å; A768-L785 HydrophobicContact CB-CB 4.31Å; A768-L785 PolarHBondContact O-N 2.85Å; A768-L785 VanDerWaalsContact O-N 3.09Å; A768-F830 WeakPolarHBondContact O-CE1 3.41Å
769	C	86.9	Confident	82.8	Confident	23.6667 Å²	23.6667	66.8 Å²	66.8	16%	0.16	35%	0.353	C	S	.	.	S	Bend	trans	-110.5	84.4	169.6	-83.6	0	0	0	0	109.9	Q774 C776 Q846	C769-Q774 PolarHBondContact N-O 2.93Å; C769-C776 HydrophobicContact CB-CB 4.01Å; C769-C776 WeakPolarHBondContact CB-SG 3.27Å; C769-C776 PolarHBondContact N-SG 3.23Å; C769-C776 VanDerWaalsContact SG-CA 3.55Å; C769-C776 WeakPolarHBondContact SG-CB 3.43Å; C769-C776 CovalentContact SG-SG 2.03Å; C769-C776 PolarHBondContact SG-SG 2.91Å; C769-Q846 HydrophobicContact CB-CB 4.44Å
770	G	72.7	Confident	82.8	Confident	11 Å²	11	65.8 Å²	65.8	11%	0.113	35%	0.348	C	S	.	.	S	Bend	trans	86.8	179.8	171.2	0	0	0	0	0	116.5	G767 Q772 Q846	G767-G770 WeakPolarHBondContact CA-O 3.32Å; G770-Q772 VanDerWaalsContact C-N 3.32Å; G770-Q772 PolarHBondContact O-N 2.76Å; G770-Q846 VanDerWaalsContact CA-OE1 3.29Å
771	V	60.6	Low	82.9	Confident	138.333 Å²	138.333	64.1 Å²	64.1	84%	0.838	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14	-166.8	-157	0	0	0	0	113.3	G773	V771-G773 VanDerWaalsContact C-N 3.28Å; V771-G773 PolarHBondContact O-N 3.28Å; V771-G773 VanDerWaalsContact O-N 3.11Å
772	Q	63.6	Low	83	Confident	160 Å²	160	64.8 Å²	64.8	75%	0.748	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	7.2	-177.2	-59.7	-170	18.6	0	0	114.2	G770 Q774	G770-Q772 VanDerWaalsContact C-N 3.32Å; G770-Q772 PolarHBondContact O-N 2.76Å; Q772-Q774 VanDerWaalsContact C-N 3.31Å; Q772-Q774 HydrophobicContact CB-CG 4.25Å; Q772-Q774 PolarHBondContact O-N 3.04Å; Q772-Q774 VanDerWaalsContact OE1-NE2 3.1Å
773	G	63.7	Low	83	Confident	34.6667 Å²	34.6667	64.8 Å²	64.8	36%	0.357	34%	0.342	S	S	.	.			trans	78.7	7.2	177.8	0	0	0	0	0	114.9	D766 G767 V771	D766-G773 CarbonylContact C-O 3.54Å; D766-G773 VanDerWaalsContact CA-O 3.31Å; D766-G773 WeakPolarHBondContact CA-O 3.31Å; D766-G773 VanDerWaalsContact CB-O 3.32Å; D766-G773 WeakPolarHBondContact CB-O 3.29Å; G767-G773 PolarHBondContact N-O 3.09Å; V771-G773 VanDerWaalsContact C-N 3.28Å; V771-G773 PolarHBondContact O-N 3.28Å; V771-G773 VanDerWaalsContact O-N 3.11Å
774	Q	73.7	Confident	83	Confident	117.667 Å²	117.667	62.9 Å²	62.9	55%	0.55	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-74.5	144.7	-179.2	-61.7	-176.8	13.3	0	0	112.2	G767 A768 C769 Q772	G767-Q774 WeakPolarHBondContact CA-O 3.4Å; G767-Q774 PolarHBondContact N-O 3.09Å; G767-Q774 VanDerWaalsContact N-O 3.09Å; A768-Q774 PolarHBondContact N-O 2.95Å; C769-Q774 PolarHBondContact N-O 2.93Å; Q772-Q774 VanDerWaalsContact C-N 3.31Å; Q772-Q774 HydrophobicContact CB-CG 4.25Å; Q772-Q774 PolarHBondContact O-N 3.04Å; Q772-Q774 VanDerWaalsContact OE1-NE2 3.1Å
775	H	85.5	Confident	83.2	Confident	111.667 Å²	111.667	56 Å²	56	52%	0.517	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-74.6	151.2	163	59.6	64.9	0	0	0	109.9
776	C	90.5	Very high	83.8	Confident	3.33333 Å²	3.33333	54.4 Å²	54.4	2%	0.023	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.6	150.8	175.5	-59.7	0	0	0	0	111.9	N762 C769 A781	N762-C776 HydrophobicContact CB-CB 4.24Å; N762-C776 VanDerWaalsContact O-CB 3.3Å; N762-C776 WeakPolarHBondContact O-CB 3.27Å; N762-C776 PolarHBondContact O-N 3.17Å; C769-C776 HydrophobicContact CB-CB 4.01Å; C769-C776 WeakPolarHBondContact CB-SG 3.27Å; C769-C776 PolarHBondContact N-SG 3.23Å; C769-C776 VanDerWaalsContact SG-CA 3.55Å; C769-C776 WeakPolarHBondContact SG-CB 3.43Å; C769-C776 CovalentContact SG-SG 2.03Å; C769-C776 PolarHBondContact SG-SG 2.91Å; C776-A781 HydrophobicContact CB-CB 4.44Å
777	T	90.2	Very high	84.4	Confident	68.3333 Å²	68.3333	48.9 Å²	48.9	42%	0.419	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-70.2	163.8	156.9	58.1	0	0	0	0	109.8	E779 H780 A781	T777-E779 VanDerWaalsContact C-N 3.27Å; T777-E779 PolarHBondContact O-N 3.18Å; T777-E779 WeakPolarHBondContact OG1-CG 3.29Å; T777-E779 PolarHBondContact OG1-OE1 2.93Å; T777-H780 PolarHBondContact O-N 3.03Å; T777-H780 VanDerWaalsContact O-N 3.14Å; T777-H780 WeakPolarHBondContact OG1-CB 3.41Å; T777-H780 PolarHBondContact OG1-CD2 3.26Å; T777-H780 VanDerWaalsContact OG1-CD2 3.25Å; T777-H780 VanDerWaalsContact OG1-CG 3.24Å; T777-H780 PolarHBondContact OG1-N 2.89Å; T777-A781 PolarHBondContact O-N 2.92Å
778	I	89	Confident	85.1	Confident	128.667 Å²	128.667	48.7 Å²	48.7	66%	0.66	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-38.3	177.9	-63.1	175	0	0	0	110.8	H759 T763 H780 A781	H759-I778 PolarHBondContact CE1-O 3.07Å; H759-I778 PolarHBondContact ND1-O 3.22Å; T763-I778 HydrophobicContact CG2-CG1 4.33Å; I778-H780 VanDerWaalsContact C-N 3.33Å; I778-H780 PolarHBondContact O-N 2.9Å; I778-A781 WeakPolarHBondContact O-CB 3.43Å; I778-A781 PolarHBondContact O-N 3.18Å
779	E	89.1	Confident	85.5	Confident	131.667 Å²	131.667	51.7 Å²	51.7	62%	0.615	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.7	176.6	-34.1	-176.9	-163.1	0	0	113.8	T777 C848	T777-E779 VanDerWaalsContact C-N 3.27Å; T777-E779 PolarHBondContact O-N 3.18Å; T777-E779 WeakPolarHBondContact OG1-CG 3.29Å; T777-E779 PolarHBondContact OG1-OE1 2.93Å; E779-C848 WeakPolarHBondContact O-CB 3.35Å
780	H	91.4	Very high	85.7	Confident	41.6667 Å²	41.6667	51.8 Å²	51.8	19%	0.193	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-3.7	-178.2	-55.5	-15	0	0	0	113	T777 I778 K782 C783 G784 C848	T777-H780 PolarHBondContact O-N 3.03Å; T777-H780 VanDerWaalsContact O-N 3.14Å; T777-H780 WeakPolarHBondContact OG1-CB 3.41Å; T777-H780 PolarHBondContact OG1-CD2 3.26Å; T777-H780 VanDerWaalsContact OG1-CD2 3.25Å; T777-H780 VanDerWaalsContact OG1-CG 3.24Å; T777-H780 PolarHBondContact OG1-N 2.89Å; I778-H780 VanDerWaalsContact C-N 3.33Å; I778-H780 PolarHBondContact O-N 2.9Å; H780-K782 PolarHBondContact O-N 3.19Å; H780-K782 VanDerWaalsContact O-N 3.12Å; H780-C783 PolarHBondContact O-N 2.59Å; H780-G784 PolarHBondContact O-N 2.67Å; H780-C848 PolarHBondContact ND1-N 3.02Å; H780-C848 VanDerWaalsContact ND1-N 3.15Å
781	A	92.7	Very high	86.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31.9	-178.3	0	0	0	0	0	113.7	H759 N762 T763 C776 T777 I778 C783	H759-A781 WeakPolarHBondContact ND1-CB 3.33Å; N762-A781 HydrophobicContact CB-CB 4.4Å; N762-A781 PolarHBondContact ND2-O 3.05Å; T763-A781 HydrophobicContact CG2-CB 4.16Å; C776-A781 HydrophobicContact CB-CB 4.44Å; T777-A781 PolarHBondContact O-N 2.92Å; I778-A781 WeakPolarHBondContact O-CB 3.43Å; I778-A781 PolarHBondContact O-N 3.18Å; A781-C783 VanDerWaalsContact C-N 3.3Å; A781-C783 PolarHBondContact O-N 3.14Å
782	K	92.6	Very high	87.9	Confident	39.3333 Å²	39.3333	53.5 Å²	53.5	17%	0.171	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-77.9	-2.5	175.7	-69.9	-164.8	-177.3	-159.3	0	115.2	D755 H780 V831 C837	D755-K782 VanDerWaalsContact CG-CE 3.42Å; D755-K782 WeakPolarHBondContact OD1-CE 3.39Å; D755-K782 IonicContact OD1-NZ 2.9Å; D755-K782 PolarHBondContact OD1-NZ 3.24Å; D755-K782 VanDerWaalsContact OD2-CE 3.29Å; D755-K782 WeakPolarHBondContact OD2-CE 3.34Å; D755-K782 IonicContact OD2-NZ 2.73Å; D755-K782 PolarHBondContact OD2-NZ 2.98Å; H780-K782 PolarHBondContact O-N 3.19Å; H780-K782 VanDerWaalsContact O-N 3.12Å; K782-V831 WeakPolarHBondContact O-CG2 3.17Å; K782-C837 HydrophobicContact CB-CB 4.03Å; K782-C837 VanDerWaalsContact CD-O 3.24Å; K782-C837 WeakPolarHBondContact CD-O 3.35Å
783	C	92.9	Very high	88.9	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.007	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-118.4	-3.8	179.2	-61.7	0	0	0	0	114.2	H780 A781 C837 C843 Q846 E847	H780-C783 PolarHBondContact O-N 2.59Å; A781-C783 VanDerWaalsContact C-N 3.3Å; A781-C783 PolarHBondContact O-N 3.14Å; C783-C837 VanDerWaalsContact SG-CB 3.5Å; C783-C837 WeakPolarHBondContact SG-CB 3.41Å; C783-C843 WeakPolarHBondContact CA-SG 3.44Å; C783-C843 HydrophobicContact CB-CB 3.62Å; C783-C843 WeakPolarHBondContact CB-SG 3.36Å; C783-C843 WeakPolarHBondContact SG-CA 3.43Å; C783-C843 WeakPolarHBondContact SG-CB 3.31Å; C783-C843 CovalentContact SG-SG 2.04Å; C783-C843 PolarHBondContact SG-SG 3.11Å; C783-Q846 VanDerWaalsContact CB-O 3.32Å; C783-Q846 WeakPolarHBondContact CB-O 3.33Å; C783-Q846 WeakPolarHBondContact O-CA 3.22Å; C783-Q846 WeakPolarHBondContact O-CB 3.01Å; C783-E847 PolarHBondContact SG-O 3.19Å; C783-E847 VanDerWaalsContact SG-O 3.4Å
784	G	91.6	Very high	90	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-78.4	-133.6	174.6	0	0	0	0	0	113.6	A768 H780 L786 F830 V831	A768-G784 CarbonylContact O-C 3.59Å; A768-G784 VanDerWaalsContact O-C 3.29Å; A768-G784 WeakPolarHBondContact O-CA 3.24Å; H780-G784 PolarHBondContact O-N 2.67Å; G784-L786 PolarHBondContact O-N 2.77Å; G784-F830 WeakPolarHBondContact O-CA 3.36Å; G784-V831 PolarHBondContact O-N 3.17Å
785	L	91.8	Very high	90.7	Very high	5.66667 Å²	5.66667	53.6 Å²	53.6	3%	0.03	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-62.8	133.1	179.3	-157.8	73.3	0	0	0	111	N762 A768 Q787 Y821 R829 F830	N762-L785 PolarHBondContact ND2-N 3.23Å; N762-L785 PolarHBondContact ND2-O 2.92Å; N762-L785 WeakPolarHBondContact OD1-CB 3.42Å; A768-L785 HydrophobicContact CB-CB 4.31Å; A768-L785 PolarHBondContact O-N 2.85Å; A768-L785 VanDerWaalsContact O-N 3.09Å; L785-Q787 PolarHBondContact O-N 3Å; L785-Y821 HydrophobicContact CD2-CD2 3.55Å; L785-Y821 HydrophobicContact CD2-CE2 4.19Å; L785-Y821 HydrophobicContact CD2-CG 3.78Å; L785-R829 HydrophobicContact CD1-CB 4.08Å; L785-R829 HydrophobicContact CD1-CG 3.92Å; L785-R829 WeakPolarHBondContact CD1-O 3.41Å; L785-F830 HydrophobicContact CD1-CD1 4.37Å; L785-F830 HydrophobicContact CD1-CE1 4.36Å
786	L	93.6	Very high	90.7	Very high	4.66667 Å²	4.66667	50.9 Å²	50.9	2%	0.024	26%	0.257	C	S	.	.			trans	-70.8	128	179.1	-178.2	68.5	0	0	0	110.2	R738 Q741 I745 F758 G784 Y821 R829 V831	R738-L786 HydrophobicContact CB-CD1 3.94Å; R738-L786 HydrophobicContact CG-CD1 3.97Å; Q741-L786 HydrophobicContact CB-CD2 4.04Å; Q741-L786 HydrophobicContact CG-CD2 3.67Å; I745-L786 HydrophobicContact CD1-CD2 3.85Å; F758-L786 HydrophobicContact CE1-CD1 4.42Å; F758-L786 HydrophobicContact CZ-CD1 4.33Å; G784-L786 PolarHBondContact O-N 2.77Å; L786-Y821 VanDerWaalsContact O-CB 3.31Å; L786-Y821 WeakPolarHBondContact O-CB 3.38Å; L786-R829 WeakPolarHBondContact CB-O 3.32Å; L786-R829 PolarHBondContact N-O 2.95Å; L786-V831 HydrophobicContact CB-CG2 4.35Å; L786-V831 HydrophobicContact CD1-CG2 3.98Å
787	Q	94.1	Very high	90.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.			trans	-111	126.5	173.9	-55.7	-65.6	-26.8	0	0	109.4	A753 C757 F758 N762 L785 K820	A753-Q787 HydrophobicContact CB-CB 3.76Å; A753-Q787 WeakPolarHBondContact CB-O 3.35Å; A753-Q787 PolarHBondContact N-O 3.13Å; C757-Q787 HydrophobicContact CB-CB 3.98Å; C757-Q787 HydrophobicContact CB-CG 4.2Å; F758-Q787 HydrophobicContact CD1-CB 4.14Å; F758-Q787 HydrophobicContact CD1-CG 3.94Å; F758-Q787 HydrophobicContact CD2-CB 4.05Å; F758-Q787 HydrophobicContact CD2-CG 4.44Å; F758-Q787 HydrophobicContact CE1-CB 3.94Å; F758-Q787 HydrophobicContact CE1-CG 4.13Å; F758-Q787 VanDerWaalsContact CE1-N 3.35Å; F758-Q787 HydrophobicContact CE2-CB 3.84Å; F758-Q787 HydrophobicContact CG-CB 4.18Å; F758-Q787 HydrophobicContact CG-CG 4.09Å; F758-Q787 HydrophobicContact CZ-CB 3.77Å; F758-Q787 HydrophobicContact CZ-CG 4.45Å; F758-Q787 VanDerWaalsContact CZ-O 3.22Å; F758-Q787 WeakPolarHBondContact CZ-O 3.38Å; N762-Q787 PolarHBondContact OD1-NE2 2.99Å; L785-Q787 PolarHBondContact O-N 3Å; Q787-K820 CarbonylContact C-O 3.42Å; Q787-K820 WeakPolarHBondContact CA-O 3.39Å
788	C	95.1	Very high	89.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163.6	-179.7	-55.7	0	0	0	0	111.6	C742 W746 T751 K820	C742-C788 WeakPolarHBondContact CA-SG 3.48Å; C742-C788 HydrophobicContact CB-CB 3.72Å; C742-C788 WeakPolarHBondContact CB-SG 3.34Å; C742-C788 VanDerWaalsContact SG-CA 3.53Å; C742-C788 WeakPolarHBondContact SG-CB 3.32Å; C742-C788 CovalentContact SG-SG 2.03Å; C742-C788 PolarHBondContact SG-SG 3.28Å; W746-C788 PolarHBondContact NE1-SG 3.09Å; T751-C788 CarbonylContact O-C 3.58Å; T751-C788 VanDerWaalsContact O-CA 3.28Å; T751-C788 WeakPolarHBondContact O-CA 3.41Å; T751-C788 WeakPolarHBondContact O-CB 2.85Å; C788-K820 HydrophobicContact CB-CB 4.27Å; C788-K820 PolarHBondContact N-O 3.11Å; C788-K820 WeakPolarHBondContact O-CA 3.24Å; C788-K820 VanDerWaalsContact O-CB 3.27Å; C788-K820 WeakPolarHBondContact O-CB 3.34Å; C788-K820 PolarHBondContact O-N 3Å
789	Q	93.8	Very high	89	Confident	62.6667 Å²	62.6667	52.6 Å²	52.6	29%	0.293	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.2	172.7	68.3	-169.9	1.4	0	0	109.7	A750 T751 E752 A753 E818	A750-Q789 WeakPolarHBondContact CA-O 3.42Å; T751-Q789 PolarHBondContact N-O 3Å; T751-Q789 PolarHBondContact O-N 3.27Å; T751-Q789 WeakPolarHBondContact OG1-CG 3.43Å; T751-Q789 PolarHBondContact OG1-NE2 3.29Å; T751-Q789 VanDerWaalsContact OG1-NE2 3.14Å; T751-Q789 PolarHBondContact OG1-O 3.36Å; E752-Q789 VanDerWaalsContact O-CD 3.31Å; E752-Q789 WeakPolarHBondContact O-CG 3.35Å; E752-Q789 PolarHBondContact O-NE2 2.9Å; E752-Q789 VanDerWaalsContact O-NE2 3.09Å; A753-Q789 HydrophobicContact CB-CB 4.46Å; Q789-E818 HydrophobicContact CB-CB 4.38Å; Q789-E818 WeakPolarHBondContact CB-O 3.04Å
790	G	92.1	Very high	88.5	Confident	27.3333 Å²	27.3333	46.3 Å²	46.3	28%	0.282	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	72.9	-161.8	-175.8	0	0	0	0	0	113.6	Q749 E818 K820	Q749-G790 CarbonylContact O-C 3.43Å; G790-E818 PolarHBondContact N-OE2 3.02Å; G790-K820 PolarHBondContact O-NZ 3.35Å
791	G	90.1	Very high	88.1	Confident	21.6667 Å²	21.6667	49.7 Å²	49.7	22%	0.223	25%	0.25	C	C	.	.	S	Bend	trans	66.7	-169.6	-177.8	0	0	0	0	0	115	Q749	Q749-G791 VanDerWaalsContact C-N 3.3Å; Q749-G791 PolarHBondContact O-N 3.2Å
792	R	89.1	Confident	87.5	Confident	161.667 Å²	161.667	52.8 Å²	52.8	61%	0.61	27%	0.271	S	S	*	.			trans	-75	149.8	-179	-60.1	-174.7	-175.3	-178.7	2	111.4	W746 R794 V796	W746-R792 VanDerWaalsContact CE3-O 3.32Å; W746-R792 VanDerWaalsContact O-CB 3.3Å; W746-R792 WeakPolarHBondContact O-CB 3.33Å; W746-R792 WeakPolarHBondContact O-CG 3.43Å; W746-R792 PolarHBondContact O-N 2.93Å; R792-R794 PolarHBondContact O-N 3.1Å; R792-R794 VanDerWaalsContact O-N 3.12Å; R792-V796 HydrophobicContact CG-CG1 4.49Å
793	P	84.3	Confident	86.8	Confident	102 Å²	102	51.2 Å²	51.2	66%	0.662	27%	0.266	S	S	*	.	S	Bend	trans	-74.7	-2	180	31.4	-37.4	0	0	0	114.5
794	R	86.7	Confident	86.4	Confident	197.667 Å²	197.667	56.8 Å²	56.8	75%	0.746	29%	0.292	S	S	*	.	S	Bend	trans	-133.5	148.4	170.9	-71	-170.7	177.9	113.4	0.9	109.3	R792	R792-R794 PolarHBondContact O-N 3.1Å; R792-R794 VanDerWaalsContact O-N 3.12Å
795	P	87.8	Confident	86.3	Confident	16 Å²	16	58.9 Å²	58.9	10%	0.104	31%	0.306	C	S	.	.			trans	-64.3	146.3	-178.7	-21.5	34.1	0	0	0	113	I745 W746 A800 Q801 P805 L822	I745-P795 HydrophobicContact CG2-CB 4.26Å; I745-P795 CarbonylContact O-C 3.51Å; I745-P795 WeakPolarHBondContact O-CA 3.35Å; I745-P795 WeakPolarHBondContact O-CB 3.32Å; W746-P795 HydrophobicContact CE3-CG 4.27Å; W746-P795 HydrophobicContact CH2-CG 4.39Å; W746-P795 HydrophobicContact CZ3-CG 3.96Å; P795-A800 HydrophobicContact CB-CB 3.52Å; P795-A800 VanDerWaalsContact CB-CB 3.47Å; P795-A800 HydrophobicContact CG-CB 4.26Å; P795-Q801 HydrophobicContact CB-CG 4.47Å; P795-P805 HydrophobicContact CG-CB 4.5Å; P795-L822 HydrophobicContact CG-CD2 3.71Å
796	V	87.1	Confident	86.2	Confident	54.6667 Å²	54.6667	62.2 Å²	62.2	33%	0.331	32%	0.32	S	S	.	.			trans	-92.2	-41.2	177.3	-63.9	0	0	0	0	112.4	I745 R792 Q801	I745-V796 WeakPolarHBondContact O-CG2 3.08Å; I745-V796 PolarHBondContact O-N 3.03Å; R792-V796 HydrophobicContact CG-CG1 4.49Å; V796-Q801 PolarHBondContact O-NE2 2.81Å
797	S	78.5	Confident	86	Confident	25.3333 Å²	25.3333	64.7 Å²	64.7	18%	0.177	34%	0.335	C	S	.	.	S	Bend	trans	-72.6	141.4	-177.1	49.6	0	0	0	0	112.5	M744 E799 A800 Q801	M744-S797 VanDerWaalsContact O-CB 3.23Å; M744-S797 WeakPolarHBondContact O-CB 3.37Å; M744-S797 PolarHBondContact O-OG 3.13Å; S797-E799 PolarHBondContact O-N 3.06Å; S797-A800 WeakPolarHBondContact O-CB 3.42Å; S797-A800 PolarHBondContact O-N 2.89Å; S797-A800 VanDerWaalsContact O-N 3.15Å; S797-A800 VanDerWaalsContact OG-CB 3.25Å; S797-A800 WeakPolarHBondContact OG-CB 3.43Å; S797-Q801 WeakPolarHBondContact O-CG 3.3Å; S797-Q801 PolarHBondContact O-N 2.56Å; S797-Q801 VanDerWaalsContact O-N 3.09Å
798	L	78.1	Confident	85.9	Confident	113.333 Å²	113.333	66.9 Å²	66.9	59%	0.593	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-34.9	-176.3	-158.6	65.5	0	0	0	112.4	A800 Q801	L798-A800 VanDerWaalsContact C-N 3.25Å; L798-A800 PolarHBondContact O-N 3.1Å; L798-Q801 PolarHBondContact O-N 2.8Å
799	E	75.9	Confident	85.6	Confident	96.6667 Å²	96.6667	74.4 Å²	74.4	45%	0.452	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.1	177.1	-57.8	157.6	179.6	0	0	112.7	S797 Q801 S802 S826 V828	S797-E799 PolarHBondContact O-N 3.06Å; E799-Q801 VanDerWaalsContact C-N 3.33Å; E799-Q801 PolarHBondContact O-N 3.46Å; E799-S802 WeakPolarHBondContact O-CB 3.26Å; E799-S802 PolarHBondContact O-N 3.49Å; E799-S802 PolarHBondContact O-OG 2.82Å; E799-S826 PolarHBondContact O-OG 3.06Å; E799-V828 HydrophobicContact CB-CG1 4.4Å
800	A	80.1	Confident	85.4	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-79.7	-27.2	177.5	0	0	0	0	0	112.9	I745 P795 S797 L798 S802 G803 L822 V828	I745-A800 HydrophobicContact CB-CB 4.4Å; I745-A800 HydrophobicContact CG1-CB 4.22Å; I745-A800 HydrophobicContact CG2-CB 3.97Å; P795-A800 HydrophobicContact CB-CB 3.52Å; P795-A800 VanDerWaalsContact CB-CB 3.47Å; P795-A800 HydrophobicContact CG-CB 4.26Å; S797-A800 WeakPolarHBondContact O-CB 3.42Å; S797-A800 PolarHBondContact O-N 2.89Å; S797-A800 VanDerWaalsContact O-N 3.15Å; S797-A800 VanDerWaalsContact OG-CB 3.25Å; S797-A800 WeakPolarHBondContact OG-CB 3.43Å; L798-A800 VanDerWaalsContact C-N 3.25Å; L798-A800 PolarHBondContact O-N 3.1Å; A800-S802 PolarHBondContact O-N 3.33Å; A800-S802 VanDerWaalsContact O-N 3.12Å; A800-G803 WeakPolarHBondContact O-CA 3.13Å; A800-G803 PolarHBondContact O-N 3.13Å; A800-L822 HydrophobicContact CB-CD1 3.91Å; A800-V828 HydrophobicContact CB-CG2 3.91Å
801	Q	82.4	Confident	85.2	Confident	113.25 Å²	113.25	76.8 Å²	76.8	53%	0.529	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-63	-15.3	174.8	-71.2	174.3	48.1	0	0	113.7	P795 V796 S797 L798 E799 G803	P795-Q801 HydrophobicContact CB-CG 4.47Å; V796-Q801 PolarHBondContact O-NE2 2.81Å; S797-Q801 WeakPolarHBondContact O-CG 3.3Å; S797-Q801 PolarHBondContact O-N 2.56Å; S797-Q801 VanDerWaalsContact O-N 3.09Å; L798-Q801 PolarHBondContact O-N 2.8Å; E799-Q801 VanDerWaalsContact C-N 3.33Å; E799-Q801 PolarHBondContact O-N 3.46Å; Q801-G803 VanDerWaalsContact C-N 3.29Å; Q801-G803 PolarHBondContact O-N 3.16Å
802	S	79.8	Confident	85	Confident	64.25 Å²	64.25	79.2 Å²	79.2	45%	0.449	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-72.5	-18.1	168.4	71.9	0	0	0	0	113.7	E799 A800 T825 S826	E799-S802 WeakPolarHBondContact O-CB 3.26Å; E799-S802 PolarHBondContact O-N 3.49Å; E799-S802 PolarHBondContact O-OG 2.82Å; A800-S802 PolarHBondContact O-N 3.33Å; A800-S802 VanDerWaalsContact O-N 3.12Å; S802-T825 VanDerWaalsContact O-CB 3.3Å; S802-T825 WeakPolarHBondContact O-CB 3.33Å; S802-T825 PolarHBondContact O-OG1 2.94Å; S802-T825 PolarHBondContact OG-O 2.98Å; S802-S826 VanDerWaalsContact OG-CA 3.32Å; S802-S826 WeakPolarHBondContact OG-CA 3.44Å; S802-S826 WeakPolarHBondContact OG-CB 3.44Å
803	G	78.3	Confident	84.8	Confident	6.25 Å²	6.25	79.8 Å²	79.8	6%	0.064	40%	0.398	C	S	.	.	S	Bend	trans	-91.5	136.2	177.6	0	0	0	0	0	111.9	A800 Q801 P805 S823 T825	A800-G803 WeakPolarHBondContact O-CA 3.13Å; A800-G803 PolarHBondContact O-N 3.13Å; Q801-G803 VanDerWaalsContact C-N 3.29Å; Q801-G803 PolarHBondContact O-N 3.16Å; G803-P805 WeakPolarHBondContact O-CD 3.09Å; G803-S823 WeakPolarHBondContact CA-OG 3.43Å; G803-T825 WeakPolarHBondContact CA-OG1 3.25Å
804	Q	84.4	Confident	84.9	Confident	119 Å²	119	77.9 Å²	77.9	56%	0.556	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-70.8	124.6	164.7	178.6	176.2	-13.8	0	0	108.6	F806 S823	Q804-F806 HydrophobicContact CB-CE2 4.22Å; Q804-F806 HydrophobicContact CG-CD2 4.38Å; Q804-F806 HydrophobicContact CG-CE2 4.1Å; Q804-F806 HydrophobicContact CG-CZ 4.37Å; Q804-F806 VanDerWaalsContact NE2-CZ 3.34Å; Q804-F806 WeakPolarHBondContact O-CD2 3.34Å; Q804-S823 PolarHBondContact N-OG 3.06Å; Q804-S823 WeakPolarHBondContact O-CB 3.31Å; Q804-S823 PolarHBondContact O-N 3Å
805	P	89	Confident	84.9	Confident	44.75 Å²	44.75	77 Å²	77	29%	0.291	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	139.3	177.8	30.9	-34.4	0	0	0	111.2	W746 P795 G803 L822	W746-P805 HydrophobicContact CH2-CB 3.49Å; W746-P805 VanDerWaalsContact CH2-CB 3.49Å; W746-P805 HydrophobicContact CZ3-CB 3.63Å; P795-P805 HydrophobicContact CG-CB 4.5Å; G803-P805 WeakPolarHBondContact O-CD 3.09Å; P805-L822 HydrophobicContact CB-CD2 4.43Å
806	F	89.3	Confident	85	Confident	73.25 Å²	73.25	83.3 Å²	83.3	32%	0.321	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.4	170.1	-73.1	-87.7	0	0	0	109.7	Q804 K820 Y821	Q804-F806 HydrophobicContact CB-CE2 4.22Å; Q804-F806 HydrophobicContact CG-CD2 4.38Å; Q804-F806 HydrophobicContact CG-CE2 4.1Å; Q804-F806 HydrophobicContact CG-CZ 4.37Å; Q804-F806 VanDerWaalsContact NE2-CZ 3.34Å; Q804-F806 WeakPolarHBondContact O-CD2 3.34Å; F806-K820 VanDerWaalsContact O-CA 3.3Å; F806-K820 WeakPolarHBondContact O-CA 3.21Å; F806-Y821 HydrophobicContact CB-CD1 4.13Å; F806-Y821 HydrophobicContact CB-CD2 3.93Å; F806-Y821 HydrophobicContact CB-CE1 3.76Å; F806-Y821 HydrophobicContact CB-CE2 3.54Å; F806-Y821 HydrophobicContact CB-CG 4.22Å; F806-Y821 VanDerWaalsContact CB-CZ 3.46Å; F806-Y821 HydrophobicContact CD1-CE2 4.48Å; F806-Y821 HydrophobicContact CD2-CD2 4.2Å; F806-Y821 AromaticContact CD2-CE2 3.62Å; F806-Y821 HydrophobicContact CD2-CE2 3.62Å; F806-Y821 VanDerWaalsContact CD2-CE2 3.42Å; F806-Y821 AromaticContact CD2-CZ 3.95Å; F806-Y821 HydrophobicContact CE2-CE2 4.31Å; F806-Y821 HydrophobicContact CG-CD2 4.38Å; F806-Y821 HydrophobicContact CG-CE1 4.4Å; F806-Y821 AromaticContact CG-CE2 3.68Å; F806-Y821 HydrophobicContact CG-CE2 3.68Å; F806-Y821 AromaticContact CG-CZ 3.78Å; F806-Y821 PolarHBondContact N-O 3.07Å; F806-Y821 PolarHBondContact O-N 3.23Å
807	V	90.6	Very high	85.2	Confident	57.25 Å²	57.25	82.5 Å²	82.5	35%	0.347	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126.4	176.7	-174.5	0	0	0	0	107.3	Y809 E818 K820	V807-Y809 HydrophobicContact CG1-CE2 4Å; V807-E818 HydrophobicContact CG1-CG 3.99Å; V807-K820 HydrophobicContact CB-CG 4.43Å; V807-K820 HydrophobicContact CG1-CG 4.05Å; V807-K820 HydrophobicContact CG2-CD 4.37Å; V807-K820 HydrophobicContact CG2-CG 4.03Å
808	T	90.2	Very high	85.8	Confident	47.5 Å²	47.5	83 Å²	83	29%	0.291	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.1	179.3	-34	0	0	0	0	109.6	T810 C819	T808-T810 HydrophobicContact CG2-CG2 3.78Å; T808-C819 PolarHBondContact N-O 2.84Å; T808-C819 PolarHBondContact O-N 2.97Å; T808-C819 PolarHBondContact OG1-O 3.47Å; T808-C819 VanDerWaalsContact OG1-O 3.08Å
809	Y	90.4	Very high	86.6	Confident	158.25 Å²	158.25	77.6 Å²	77.6	62%	0.621	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.1	171.7	-62.6	-82.9	0	0	0	108.5	V807 F817 E818	V807-Y809 HydrophobicContact CG1-CE2 4Å; Y809-F817 WeakPolarHBondContact CA-O 3.31Å; Y809-E818 HydrophobicContact CD1-CB 4.09Å; Y809-E818 HydrophobicContact CD1-CG 4.22Å; Y809-E818 HydrophobicContact CE1-CB 3.83Å; Y809-E818 HydrophobicContact CE1-CG 3.67Å; Y809-E818 VanDerWaalsContact CE1-CG 3.46Å; Y809-E818 WeakPolarHBondContact CE1-OE1 3.42Å; Y809-E818 PolarHBondContact OH-OE1 3.11Å; Y809-E818 VanDerWaalsContact OH-OE1 3.12Å
810	T	88.4	Confident	87.4	Confident	21.75 Å²	21.75	73.4 Å²	73.4	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.1	-174.7	63.2	0	0	0	0	109.8	L760 T808 Q816 F817 C819	L760-T810 HydrophobicContact CD2-CG2 3.76Å; T808-T810 HydrophobicContact CG2-CG2 3.78Å; T810-Q816 CarbonylContact O-C 3.49Å; T810-Q816 WeakPolarHBondContact O-CA 3.27Å; T810-F817 PolarHBondContact N-O 3.05Å; T810-F817 PolarHBondContact O-N 2.96Å; T810-C819 PolarHBondContact OG1-SG 2.8Å
811	E	88.1	Confident	87.9	Confident	118.25 Å²	118.25	75.2 Å²	75.2	55%	0.553	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.2	179.3	-161.6	176.9	135.2	0	0	110.8	Y756 R815 Q816	Y756-E811 PolarHBondContact OH-O 3.16Å; E811-R815 WeakPolarHBondContact CA-O 3.35Å; E811-Q816 HydrophobicContact CB-CG 4.46Å; E811-Q816 HydrophobicContact CG-CG 4.23Å
812	H	85.5	Confident	88.2	Confident	71.25 Å²	71.25	70 Å²	70	33%	0.33	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	128.3	173.1	-175.9	-108	0	0	0	109.4	Y756 G814 R815 F817	Y756-H812 HydrophobicContact CD1-CB 3.94Å; Y756-H812 HydrophobicContact CD2-CB 4.17Å; Y756-H812 AromaticContact CD2-CD2 3.97Å; Y756-H812 AromaticContact CD2-CG 3.88Å; Y756-H812 HydrophobicContact CE1-CB 3.6Å; Y756-H812 HydrophobicContact CE2-CB 3.88Å; Y756-H812 AromaticContact CE2-CD2 3.48Å; Y756-H812 VanDerWaalsContact CE2-CD2 3.47Å; Y756-H812 WeakPolarHBondContact CE2-CD2 3.3Å; Y756-H812 AromaticContact CE2-CG 3.7Å; Y756-H812 HydrophobicContact CG-CB 4.2Å; Y756-H812 AromaticContact CZ-CD2 3.92Å; Y756-H812 AromaticContact CZ-CG 3.92Å; H812-G814 VanDerWaalsContact C-N 3.27Å; H812-G814 PolarHBondContact O-N 2.94Å; H812-G814 VanDerWaalsContact O-N 3.16Å; H812-R815 PolarHBondContact N-O 3.14Å; H812-R815 PolarHBondContact O-N 3.03Å; H812-F817 HydrophobicContact CB-CD2 4.26Å; H812-F817 HydrophobicContact CB-CE2 4Å
813	Q	86.7	Confident	88.1	Confident	174.5 Å²	174.5	67.9 Å²	67.9	82%	0.815	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.1	-179.8	-61.6	172.5	-11.6	0	0	113.6	R815	Q813-R815 PolarHBondContact O-N 3Å
814	G	84.7	Confident	87.8	Confident	62.75 Å²	62.75	73.7 Å²	73.7	65%	0.647	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	8.8	-178.8	0	0	0	0	0	115.1	H812	H812-G814 VanDerWaalsContact C-N 3.27Å; H812-G814 PolarHBondContact O-N 2.94Å; H812-G814 VanDerWaalsContact O-N 3.16Å
815	R	88.5	Confident	87.1	Confident	179.75 Å²	179.75	72.7 Å²	72.7	68%	0.678	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	134.2	173.3	-87.9	179.2	174.8	-179.5	-1.6	110.2	E811 H812 Q813 F817	E811-R815 WeakPolarHBondContact CA-O 3.35Å; H812-R815 PolarHBondContact N-O 3.14Å; H812-R815 PolarHBondContact O-N 3.03Å; Q813-R815 PolarHBondContact O-N 3Å; R815-F817 HydrophobicContact CB-CE2 3.78Å; R815-F817 HydrophobicContact CB-CZ 4.04Å; R815-F817 HydrophobicContact CG-CD2 4.42Å; R815-F817 HydrophobicContact CG-CE1 4.34Å; R815-F817 HydrophobicContact CG-CE2 3.83Å; R815-F817 HydrophobicContact CG-CZ 3.8Å; R815-F817 WeakPolarHBondContact O-CD2 3.32Å; R815-F817 WeakPolarHBondContact O-CE2 3.28Å
816	Q	88.5	Confident	86.2	Confident	147.5 Å²	147.5	70.7 Å²	70.7	69%	0.689	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.8	173.1	-66.5	-176.8	-6.3	0	0	110.4	T810 E811	T810-Q816 CarbonylContact O-C 3.49Å; T810-Q816 WeakPolarHBondContact O-CA 3.27Å; E811-Q816 HydrophobicContact CB-CG 4.46Å; E811-Q816 HydrophobicContact CG-CG 4.23Å
817	F	91.3	Very high	85.6	Confident	38 Å²	38	73.6 Å²	73.6	17%	0.167	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	179.3	-64.4	-85.3	0	0	0	109.5	S754 Y756 Y809 T810 H812 R815	S754-F817 VanDerWaalsContact CB-CD1 3.49Å; S754-F817 WeakPolarHBondContact OG-CE1 3.33Å; Y756-F817 HydrophobicContact CD1-CB 4.46Å; Y756-F817 AromaticContact CD1-CD2 3.94Å; Y756-F817 HydrophobicContact CD1-CD2 3.96Å; Y756-F817 HydrophobicContact CD1-CE2 4.49Å; Y756-F817 HydrophobicContact CD1-CG 4.34Å; Y756-F817 HydrophobicContact CE1-CD2 4.41Å; Y809-F817 WeakPolarHBondContact CA-O 3.31Å; T810-F817 PolarHBondContact N-O 3.05Å; T810-F817 PolarHBondContact O-N 2.96Å; H812-F817 HydrophobicContact CB-CD2 4.26Å; H812-F817 HydrophobicContact CB-CE2 4Å; R815-F817 HydrophobicContact CB-CE2 3.78Å; R815-F817 HydrophobicContact CB-CZ 4.04Å; R815-F817 HydrophobicContact CG-CD2 4.42Å; R815-F817 HydrophobicContact CG-CE1 4.34Å; R815-F817 HydrophobicContact CG-CE2 3.83Å; R815-F817 HydrophobicContact CG-CZ 3.8Å; R815-F817 WeakPolarHBondContact O-CD2 3.32Å; R815-F817 WeakPolarHBondContact O-CE2 3.28Å
818	E	92.6	Very high	85.4	Confident	35 Å²	35	72 Å²	72	16%	0.164	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.9	170.7	-173.8	-174.4	-132.8	0	0	109.3	C757 Q789 G790 V807 Y809 K820	C757-E818 PolarHBondContact SG-O 2.85Å; Q789-E818 HydrophobicContact CB-CB 4.38Å; Q789-E818 WeakPolarHBondContact CB-O 3.04Å; G790-E818 PolarHBondContact N-OE2 3.02Å; V807-E818 HydrophobicContact CG1-CG 3.99Å; Y809-E818 HydrophobicContact CD1-CB 4.09Å; Y809-E818 HydrophobicContact CD1-CG 4.22Å; Y809-E818 HydrophobicContact CE1-CB 3.83Å; Y809-E818 HydrophobicContact CE1-CG 3.67Å; Y809-E818 VanDerWaalsContact CE1-CG 3.46Å; Y809-E818 WeakPolarHBondContact CE1-OE1 3.42Å; Y809-E818 PolarHBondContact OH-OE1 3.11Å; Y809-E818 VanDerWaalsContact OH-OE1 3.12Å; E818-K820 HydrophobicContact CG-CD 4.45Å; E818-K820 HydrophobicContact CG-CG 4.11Å; E818-K820 WeakPolarHBondContact OE1-CE 3.31Å; E818-K820 IonicContact OE1-NZ 3.41Å; E818-K820 PolarHBondContact OE1-NZ 3.17Å; E818-K820 WeakPolarHBondContact OE2-CE 3.43Å; E818-K820 IonicContact OE2-NZ 3.32Å; E818-K820 PolarHBondContact OE2-NZ 3.05Å
819	C	93.6	Very high	85.3	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	112.7	174.3	-45.2	0	0	0	0	109.2	C757 T808 T810	C757-C819 HydrophobicContact CB-CB 3.71Å; C757-C819 WeakPolarHBondContact CB-SG 3.41Å; C757-C819 VanDerWaalsContact SG-CA 3.55Å; C757-C819 WeakPolarHBondContact SG-CB 3.31Å; C757-C819 CovalentContact SG-SG 2.04Å; C757-C819 PolarHBondContact SG-SG 2.91Å; T808-C819 PolarHBondContact N-O 2.84Å; T808-C819 PolarHBondContact O-N 2.97Å; T808-C819 PolarHBondContact OG1-O 3.47Å; T808-C819 VanDerWaalsContact OG1-O 3.08Å; T810-C819 PolarHBondContact OG1-SG 2.8Å
820	K	92.6	Very high	85.3	Confident	8.75 Å²	8.75	65 Å²	65	4%	0.038	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.1	176.9	-59.9	-173.7	158.7	117.5	0	111.5	W746 Q787 C788 G790 F806 V807 E818	W746-K820 HydrophobicContact CD2-CD 4.28Å; W746-K820 HydrophobicContact CE3-CD 4.45Å; W746-K820 HydrophobicContact CH2-CB 4.4Å; W746-K820 HydrophobicContact CZ2-CB 3.87Å; Q787-K820 CarbonylContact C-O 3.42Å; Q787-K820 WeakPolarHBondContact CA-O 3.39Å; C788-K820 HydrophobicContact CB-CB 4.27Å; C788-K820 PolarHBondContact N-O 3.11Å; C788-K820 WeakPolarHBondContact O-CA 3.24Å; C788-K820 VanDerWaalsContact O-CB 3.27Å; C788-K820 WeakPolarHBondContact O-CB 3.34Å; C788-K820 PolarHBondContact O-N 3Å; G790-K820 PolarHBondContact O-NZ 3.35Å; F806-K820 VanDerWaalsContact O-CA 3.3Å; F806-K820 WeakPolarHBondContact O-CA 3.21Å; V807-K820 HydrophobicContact CB-CG 4.43Å; V807-K820 HydrophobicContact CG1-CG 4.05Å; V807-K820 HydrophobicContact CG2-CD 4.37Å; V807-K820 HydrophobicContact CG2-CG 4.03Å; E818-K820 HydrophobicContact CG-CD 4.45Å; E818-K820 HydrophobicContact CG-CG 4.11Å; E818-K820 WeakPolarHBondContact OE1-CE 3.31Å; E818-K820 IonicContact OE1-NZ 3.41Å; E818-K820 PolarHBondContact OE1-NZ 3.17Å; E818-K820 WeakPolarHBondContact OE2-CE 3.43Å; E818-K820 IonicContact OE2-NZ 3.32Å; E818-K820 PolarHBondContact OE2-NZ 3.05Å
821	Y	91.3	Very high	85.5	Confident	38.5 Å²	38.5	64.3 Å²	64.3	15%	0.151	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	172.8	175.8	65.1	-94.3	0	0	0	112.7	H761 L785 L786 F806	H761-Y821 AromaticContact CD2-CE1 3.62Å; H761-Y821 AromaticContact CD2-CZ 3.92Å; H761-Y821 AromaticContact CE1-CE1 3.76Å; H761-Y821 AromaticContact NE2-CE1 3.14Å; H761-Y821 WeakPolarHBondContact NE2-CE1 3.05Å; H761-Y821 AromaticContact NE2-CZ 3.27Å; H761-Y821 VanDerWaalsContact NE2-CZ 3.27Å; H761-Y821 PolarHBondContact NE2-OH 3.43Å; H761-Y821 VanDerWaalsContact NE2-OH 3.14Å; L785-Y821 HydrophobicContact CD2-CD2 3.55Å; L785-Y821 HydrophobicContact CD2-CE2 4.19Å; L785-Y821 HydrophobicContact CD2-CG 3.78Å; L786-Y821 VanDerWaalsContact O-CB 3.31Å; L786-Y821 WeakPolarHBondContact O-CB 3.38Å; F806-Y821 HydrophobicContact CB-CD1 4.13Å; F806-Y821 HydrophobicContact CB-CD2 3.93Å; F806-Y821 HydrophobicContact CB-CE1 3.76Å; F806-Y821 HydrophobicContact CB-CE2 3.54Å; F806-Y821 HydrophobicContact CB-CG 4.22Å; F806-Y821 VanDerWaalsContact CB-CZ 3.46Å; F806-Y821 HydrophobicContact CD1-CE2 4.48Å; F806-Y821 HydrophobicContact CD2-CD2 4.2Å; F806-Y821 AromaticContact CD2-CE2 3.62Å; F806-Y821 HydrophobicContact CD2-CE2 3.62Å; F806-Y821 VanDerWaalsContact CD2-CE2 3.42Å; F806-Y821 AromaticContact CD2-CZ 3.95Å; F806-Y821 HydrophobicContact CE2-CE2 4.31Å; F806-Y821 HydrophobicContact CG-CD2 4.38Å; F806-Y821 HydrophobicContact CG-CE1 4.4Å; F806-Y821 AromaticContact CG-CE2 3.68Å; F806-Y821 HydrophobicContact CG-CE2 3.68Å; F806-Y821 AromaticContact CG-CZ 3.78Å; F806-Y821 PolarHBondContact N-O 3.07Å; F806-Y821 PolarHBondContact O-N 3.23Å
822	L	88.7	Confident	85.6	Confident	4.25 Å²	4.25	60 Å²	60	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	146.1	178.4	-62.5	177	0	0	0	112.5	I745 W746 P795 A800 P805 S826 V828 R829	I745-L822 HydrophobicContact CD1-CD1 4.19Å; I745-L822 HydrophobicContact CG2-CD1 3.96Å; I745-L822 HydrophobicContact CG2-CD2 4.43Å; I745-L822 HydrophobicContact CG2-CG 4.4Å; W746-L822 HydrophobicContact CH2-CD2 3.9Å; W746-L822 HydrophobicContact CZ2-CD2 3.96Å; W746-L822 HydrophobicContact CZ2-CG 4.38Å; P795-L822 HydrophobicContact CG-CD2 3.71Å; A800-L822 HydrophobicContact CB-CD1 3.91Å; P805-L822 HydrophobicContact CB-CD2 4.43Å; L822-S826 VanDerWaalsContact CB-OG 3.27Å; L822-S826 WeakPolarHBondContact CB-OG 3.29Å; L822-S826 WeakPolarHBondContact CD1-OG 3.49Å; L822-V828 HydrophobicContact CD1-CG2 4.08Å; L822-R829 HydrophobicContact CB-CB 3.98Å; L822-R829 PolarHBondContact O-NE 2.85Å
823	S	78	Confident	85.9	Confident	20 Å²	20	58.5 Å²	58.5	14%	0.14	29%	0.291	C	S	.	.			trans	-66.8	169.4	175.9	95.3	0	0	0	0	114	G803 Q804 T825 S826 R829	G803-S823 WeakPolarHBondContact CA-OG 3.43Å; Q804-S823 PolarHBondContact N-OG 3.06Å; Q804-S823 WeakPolarHBondContact O-CB 3.31Å; Q804-S823 PolarHBondContact O-N 3Å; S823-T825 PolarHBondContact O-N 3.08Å; S823-T825 PolarHBondContact OG-OG1 2.98Å; S823-T825 VanDerWaalsContact OG-OG1 3.06Å; S823-S826 PolarHBondContact O-N 3.05Å; S823-S826 PolarHBondContact O-OG 3.31Å; S823-R829 WeakPolarHBondContact O-CD 3.33Å; S823-R829 PolarHBondContact O-NE 2.86Å; S823-R829 VanDerWaalsContact O-NE 3.16Å
824	H	70.7	Confident	86	Confident	126.75 Å²	126.75	50.2 Å²	50.2	59%	0.587	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-13.4	-174.2	-59.4	-95.5	0	0	0	116.2	R829	H824-R829 PolarHBondContact ND1-NH1 3.09Å; H824-R829 PolarHBondContact ND1-NH2 2.82Å; H824-R829 PolarHBondContact O-NE 2.85Å; H824-R829 PolarHBondContact O-NH1 2.88Å
825	T	70.3	Confident	86.3	Confident	97.75 Å²	97.75	47.3 Å²	47.3	60%	0.6	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-18	-176.1	47.8	0	0	0	0	115.1	S802 G803 S823	S802-T825 VanDerWaalsContact O-CB 3.3Å; S802-T825 WeakPolarHBondContact O-CB 3.33Å; S802-T825 PolarHBondContact O-OG1 2.94Å; S802-T825 PolarHBondContact OG-O 2.98Å; G803-T825 WeakPolarHBondContact CA-OG1 3.25Å; S823-T825 PolarHBondContact O-N 3.08Å; S823-T825 PolarHBondContact OG-OG1 2.98Å; S823-T825 VanDerWaalsContact OG-OG1 3.06Å
826	S	71.1	Confident	86.4	Confident	4.25 Å²	4.25	40 Å²	40	3%	0.03	20%	0.198	C	C	.	.			trans	-94.6	137.6	178	123	0	0	0	0	112.2	E799 S802 L822 S823 V828 R829	E799-S826 PolarHBondContact O-OG 3.06Å; S802-S826 VanDerWaalsContact OG-CA 3.32Å; S802-S826 WeakPolarHBondContact OG-CA 3.44Å; S802-S826 WeakPolarHBondContact OG-CB 3.44Å; L822-S826 VanDerWaalsContact CB-OG 3.27Å; L822-S826 WeakPolarHBondContact CB-OG 3.29Å; L822-S826 WeakPolarHBondContact CD1-OG 3.49Å; S823-S826 PolarHBondContact O-N 3.05Å; S823-S826 PolarHBondContact O-OG 3.31Å; S826-V828 VanDerWaalsContact C-N 3.32Å; S826-V828 PolarHBondContact O-N 3.1Å; S826-V828 VanDerWaalsContact OG-CG2 3.31Å; S826-V828 WeakPolarHBondContact OG-CG2 3.39Å; S826-V828 PolarHBondContact OG-N 3.1Å; S826-R829 WeakPolarHBondContact O-CB 3.25Å; S826-R829 WeakPolarHBondContact O-CD 3.41Å; S826-R829 VanDerWaalsContact O-CG 3.32Å; S826-R829 WeakPolarHBondContact O-CG 3.34Å; S826-R829 PolarHBondContact O-N 3.02Å
827	K	76.8	Confident	86.6	Confident	133.25 Å²	133.25	33.4 Å²	33.4	58%	0.579	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-65.1	-37.3	174.2	-67.4	-172.3	177.4	-177	0	112.3	R829 S1277 Y1278	K827-R829 VanDerWaalsContact C-N 3.29Å; K827-R829 PolarHBondContact O-N 3.2Å; K827-S1277 PolarHBondContact NZ-O 3.31Å; K827-Y1278 HydrophobicContact CB-CE2 3.96Å; K827-Y1278 HydrophobicContact CD-CD2 3.62Å; K827-Y1278 HydrophobicContact CD-CE1 4.43Å; K827-Y1278 HydrophobicContact CD-CE2 3.45Å; K827-Y1278 VanDerWaalsContact CD-CE2 3.45Å; K827-Y1278 HydrophobicContact CD-CG 4.22Å; K827-Y1278 VanDerWaalsContact CE-CD2 3.42Å; K827-Y1278 VanDerWaalsContact CE-CG 3.49Å; K827-Y1278 HydrophobicContact CG-CD2 4.28Å; K827-Y1278 HydrophobicContact CG-CE1 4.28Å; K827-Y1278 HydrophobicContact CG-CE2 3.61Å
828	V	84.9	Confident	86.4	Confident	24.5 Å²	24.5	33.3 Å²	33.3	15%	0.148	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-82.5	23.9	-176.5	-60.5	0	0	0	0	113.8	Q741 I745 E799 A800 L822 S826	Q741-V828 PolarHBondContact NE2-O 3.24Å; I745-V828 HydrophobicContact CD1-CB 4.18Å; I745-V828 HydrophobicContact CD1-CG2 3.96Å; I745-V828 VanDerWaalsContact CD1-O 3.23Å; I745-V828 WeakPolarHBondContact CD1-O 3.35Å; I745-V828 HydrophobicContact CG1-CB 4.49Å; I745-V828 HydrophobicContact CG1-CG2 4.02Å; E799-V828 HydrophobicContact CB-CG1 4.4Å; A800-V828 HydrophobicContact CB-CG2 3.91Å; L822-V828 HydrophobicContact CD1-CG2 4.08Å; S826-V828 VanDerWaalsContact C-N 3.32Å; S826-V828 PolarHBondContact O-N 3.1Å; S826-V828 VanDerWaalsContact OG-CG2 3.31Å; S826-V828 WeakPolarHBondContact OG-CG2 3.39Å; S826-V828 PolarHBondContact OG-N 3.1Å
829	R	88.1	Confident	86	Confident	21.75 Å²	21.75	36 Å²	36	8%	0.082	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-83.4	-19.7	-178.7	76.1	-177.7	-141.1	171.8	3.1	114.8	G767 L785 L786 L822 S823 H824 S826 K827	G767-R829 PolarHBondContact O-NH2 3.01Å; L785-R829 HydrophobicContact CD1-CB 4.08Å; L785-R829 HydrophobicContact CD1-CG 3.92Å; L785-R829 WeakPolarHBondContact CD1-O 3.41Å; L786-R829 WeakPolarHBondContact CB-O 3.32Å; L786-R829 PolarHBondContact N-O 2.95Å; L822-R829 HydrophobicContact CB-CB 3.98Å; L822-R829 PolarHBondContact O-NE 2.85Å; S823-R829 WeakPolarHBondContact O-CD 3.33Å; S823-R829 PolarHBondContact O-NE 2.86Å; S823-R829 VanDerWaalsContact O-NE 3.16Å; H824-R829 PolarHBondContact ND1-NH1 3.09Å; H824-R829 PolarHBondContact ND1-NH2 2.82Å; H824-R829 PolarHBondContact O-NE 2.85Å; H824-R829 PolarHBondContact O-NH1 2.88Å; S826-R829 WeakPolarHBondContact O-CB 3.25Å; S826-R829 WeakPolarHBondContact O-CD 3.41Å; S826-R829 VanDerWaalsContact O-CG 3.32Å; S826-R829 WeakPolarHBondContact O-CG 3.34Å; S826-R829 PolarHBondContact O-N 3.02Å; K827-R829 VanDerWaalsContact C-N 3.29Å; K827-R829 PolarHBondContact O-N 3.2Å
830	F	91.1	Very high	85.5	Confident	37.25 Å²	37.25	40.6 Å²	40.6	16%	0.163	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-98.8	158.6	-179.7	-63	-69	0	0	0	110.9	Q741 A768 G784 L785 Q846	Q741-F830 PolarHBondContact NE2-O 3.38Å; Q741-F830 PolarHBondContact OE1-O 2.72Å; A768-F830 WeakPolarHBondContact O-CE1 3.41Å; G784-F830 WeakPolarHBondContact O-CA 3.36Å; L785-F830 HydrophobicContact CD1-CD1 4.37Å; L785-F830 HydrophobicContact CD1-CE1 4.36Å; F830-Q846 HydrophobicContact CB-CG 4.47Å; F830-Q846 HydrophobicContact CD1-CG 4.19Å; F830-Q846 HydrophobicContact CE1-CG 4.39Å; F830-Q846 HydrophobicContact CG-CG 4.36Å
831	V	92.8	Very high	85.4	Confident	6.75 Å²	6.75	44.8 Å²	44.8	4%	0.041	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-57.8	141.4	169.6	170.6	0	0	0	0	109.7	R738 F758 K782 G784 L786 A835 C843	R738-V831 HydrophobicContact CG-CG1 3.83Å; R738-V831 HydrophobicContact CG-CG2 4.14Å; F758-V831 HydrophobicContact CE1-CG2 3.88Å; K782-V831 WeakPolarHBondContact O-CG2 3.17Å; G784-V831 PolarHBondContact O-N 3.17Å; L786-V831 HydrophobicContact CB-CG2 4.35Å; L786-V831 HydrophobicContact CD1-CG2 3.98Å; V831-A835 HydrophobicContact CG1-CB 4.17Å; V831-C843 HydrophobicContact CG1-CB 4.19Å
832	P	91.1	Very high	85.4	Confident	26.75 Å²	26.75	43.5 Å²	43.5	17%	0.174	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-77.2	145.1	-174.5	26.1	-20	0	0	0	110.6	P736 Q741 G834 A835	P736-P832 HydrophobicContact CB-CB 3.9Å; P736-P832 HydrophobicContact CB-CG 4.04Å; Q741-P832 HydrophobicContact CB-CG 4.47Å; Q741-P832 VanDerWaalsContact OE1-CB 3.26Å; Q741-P832 VanDerWaalsContact OE1-CG 3.23Å; P832-G834 PolarHBondContact O-N 3.35Å; P832-A835 HydrophobicContact CG-CB 4.17Å; P832-A835 VanDerWaalsContact O-CB 3.31Å; P832-A835 WeakPolarHBondContact O-CB 3.33Å; P832-A835 PolarHBondContact O-N 3.21Å
833	E	90.3	Very high	85.5	Confident	40.25 Å²	40.25	43.4 Å²	43.4	19%	0.188	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	140.9	176.2	-59.2	-161	139.1	0	0	110.4	Y731 P736 A835 C843 F844 H845	Y731-E833 WeakPolarHBondContact CB-O 3.33Å; Y731-E833 HydrophobicContact CD1-CB 3.97Å; Y731-E833 HydrophobicContact CD2-CB 4.09Å; Y731-E833 HydrophobicContact CE1-CB 3.77Å; Y731-E833 HydrophobicContact CE1-CG 4.27Å; Y731-E833 VanDerWaalsContact CE1-OE2 3.28Å; Y731-E833 WeakPolarHBondContact CE1-OE2 3.35Å; Y731-E833 HydrophobicContact CE2-CB 4.13Å; Y731-E833 WeakPolarHBondContact CE2-OE2 3.31Å; Y731-E833 HydrophobicContact CG-CB 4.3Å; Y731-E833 VanDerWaalsContact CZ-OE2 3.26Å; Y731-E833 PolarHBondContact OH-OE2 2.98Å; P736-E833 VanDerWaalsContact CB-O 3.26Å; P736-E833 WeakPolarHBondContact CB-O 3.3Å; P736-E833 WeakPolarHBondContact CG-O 3.39Å; E833-A835 VanDerWaalsContact C-N 3.3Å; E833-A835 PolarHBondContact O-N 3.46Å; E833-C843 CarbonylContact C-O 3.4Å; E833-C843 WeakPolarHBondContact CA-O 3.33Å; E833-F844 HydrophobicContact CB-CD1 3.86Å; E833-F844 HydrophobicContact CB-CE1 4.04Å; E833-F844 HydrophobicContact CG-CD1 4.34Å; E833-H845 WeakPolarHBondContact OE1-CA 3.34Å; E833-H845 PolarHBondContact OE1-N 3.01Å; E833-H845 IonicContact OE1-ND1 3.85Å
834	G	89.4	Confident	86.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-13.2	-173	0	0	0	0	0	115.7	L729 P832 Y842 C843 F844	L729-G834 PolarHBondContact N-O 3.16Å; P832-G834 PolarHBondContact O-N 3.35Å; G834-Y842 WeakPolarHBondContact O-CD1 3.34Å; G834-C843 PolarHBondContact N-O 3.41Å; G834-F844 VanDerWaalsContact CA-CZ 3.49Å; G834-F844 VanDerWaalsContact N-CE1 3.29Å
835	A	91.2	Very high	86.8	Confident	1.75 Å²	1.75	41.9 Å²	41.9	1%	0.014	22%	0.221	C	C	.	.			trans	-68	141	173.7	0	0	0	0	0	111.6	V831 P832 E833 Y842 C843	V831-A835 HydrophobicContact CG1-CB 4.17Å; P832-A835 HydrophobicContact CG-CB 4.17Å; P832-A835 VanDerWaalsContact O-CB 3.31Å; P832-A835 WeakPolarHBondContact O-CB 3.33Å; P832-A835 PolarHBondContact O-N 3.21Å; E833-A835 VanDerWaalsContact C-N 3.3Å; E833-A835 PolarHBondContact O-N 3.46Å; A835-Y842 CarbonylContact O-C 3.45Å; A835-Y842 VanDerWaalsContact O-CA 3.32Å; A835-Y842 WeakPolarHBondContact O-CA 3.27Å; A835-C843 PolarHBondContact O-N 3.1Å
836	S	90.3	Very high	87.7	Confident	26 Å²	26	39.2 Å²	39.2	18%	0.182	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.6	177.5	151.4	0	0	0	0	112.3	K727 R738 A838 R841	K727-S836 VanDerWaalsContact O-CB 3.26Å; K727-S836 WeakPolarHBondContact O-CB 3.27Å; R738-S836 PolarHBondContact NH1-O 3.17Å; S836-A838 PolarHBondContact OG-O 3.2Å; S836-A838 VanDerWaalsContact OG-O 3.09Å; S836-R841 WeakPolarHBondContact CA-O 3.36Å; S836-R841 PolarHBondContact OG-O 3.1Å
837	C	91.8	Very high	88.6	Confident	9 Å²	9	43.7 Å²	43.7	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-29.1	176	52	0	0	0	0	113.1	K782 C783 R841 Y842 C848	K782-C837 HydrophobicContact CB-CB 4.03Å; K782-C837 VanDerWaalsContact CD-O 3.24Å; K782-C837 WeakPolarHBondContact CD-O 3.35Å; C783-C837 VanDerWaalsContact SG-CB 3.5Å; C783-C837 WeakPolarHBondContact SG-CB 3.41Å; C837-R841 PolarHBondContact N-O 3.02Å; C837-R841 PolarHBondContact SG-O 3.19Å; C837-R841 VanDerWaalsContact SG-O 3.33Å; C837-Y842 PolarHBondContact SG-N 3.16Å; C837-Y842 VanDerWaalsContact SG-N 3.43Å; C837-C848 HydrophobicContact CB-CB 3.93Å; C837-C848 WeakPolarHBondContact CB-SG 3.25Å; C837-C848 VanDerWaalsContact SG-CA 3.51Å; C837-C848 WeakPolarHBondContact SG-CA 3.39Å; C837-C848 WeakPolarHBondContact SG-CB 3.34Å; C837-C848 CovalentContact SG-SG 2.03Å; C837-C848 PolarHBondContact SG-SG 3.01Å
838	A	87.2	Confident	89.3	Confident	37.75 Å²	37.75	37.7 Å²	37.7	31%	0.312	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	171.6	173.2	0	0	0	0	0	108.7	S836 D840 R841	S836-A838 PolarHBondContact OG-O 3.2Å; S836-A838 VanDerWaalsContact OG-O 3.09Å; A838-D840 PolarHBondContact O-N 3.18Å; A838-R841 HydrophobicContact CB-CB 4.18Å; A838-R841 PolarHBondContact N-O 3.26Å; A838-R841 PolarHBondContact O-N 3.01Å; A838-R841 VanDerWaalsContact O-O 3.05Å
839	P	85.3	Confident	89.6	Confident	91.75 Å²	91.75	37.6 Å²	37.6	60%	0.596	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	129.3	172.9	-28.7	37.2	0	0	0	111.7	R841	P839-R841 PolarHBondContact O-N 2.71Å; P839-R841 VanDerWaalsContact O-N 3.07Å
840	D	83.4	Confident	89.6	Confident	96.25 Å²	96.25	39.8 Å²	39.8	52%	0.515	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	25.9	-174.5	-55.7	-45.7	0	0	0	116	A838 P851	A838-D840 PolarHBondContact O-N 3.18Å; D840-P851 WeakPolarHBondContact O-CD 3.47Å
841	R	89.1	Confident	88.8	Confident	97 Å²	97	39.8 Å²	39.8	37%	0.366	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.1	178	-67.3	179.8	174.7	-119.9	5.6	112.8	S836 C837 A838 P839 C848 V849 L850	S836-R841 WeakPolarHBondContact CA-O 3.36Å; S836-R841 PolarHBondContact OG-O 3.1Å; C837-R841 PolarHBondContact N-O 3.02Å; C837-R841 PolarHBondContact SG-O 3.19Å; C837-R841 VanDerWaalsContact SG-O 3.33Å; A838-R841 HydrophobicContact CB-CB 4.18Å; A838-R841 PolarHBondContact N-O 3.26Å; A838-R841 PolarHBondContact O-N 3.01Å; A838-R841 VanDerWaalsContact O-O 3.05Å; P839-R841 PolarHBondContact O-N 2.71Å; P839-R841 VanDerWaalsContact O-N 3.07Å; R841-C848 PolarHBondContact NH1-O 3.16Å; R841-C848 VanDerWaalsContact NH1-O 3.12Å; R841-V849 CarbonylContact C-O 3.54Å; R841-V849 VanDerWaalsContact CA-O 3.29Å; R841-V849 WeakPolarHBondContact CA-O 3.37Å; R841-L850 HydrophobicContact CG-CD1 4.15Å; R841-L850 HydrophobicContact CG-CG 4.32Å; R841-L850 VanDerWaalsContact CZ-CD1 3.49Å
842	Y	90.8	Very high	88	Confident	10.75 Å²	10.75	47 Å²	47	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.2	-168.4	-54.1	-86.6	0	0	0	111.4	L729 G834 A835 C837 V849 P851	L729-Y842 HydrophobicContact CD1-CD1 4.25Å; L729-Y842 HydrophobicContact CD1-CD2 3.57Å; L729-Y842 HydrophobicContact CD1-CE2 3.97Å; L729-Y842 HydrophobicContact CD1-CG 3.72Å; L729-Y842 HydrophobicContact CD2-CD1 4.46Å; L729-Y842 HydrophobicContact CD2-CD2 4.41Å; L729-Y842 HydrophobicContact CD2-CE1 4.07Å; L729-Y842 HydrophobicContact CD2-CE2 4.01Å; L729-Y842 HydrophobicContact CG-CD1 3.7Å; L729-Y842 HydrophobicContact CG-CD2 3.84Å; L729-Y842 HydrophobicContact CG-CE1 3.81Å; L729-Y842 HydrophobicContact CG-CE2 3.94Å; L729-Y842 HydrophobicContact CG-CG 3.71Å; G834-Y842 WeakPolarHBondContact O-CD1 3.34Å; A835-Y842 CarbonylContact O-C 3.45Å; A835-Y842 VanDerWaalsContact O-CA 3.32Å; A835-Y842 WeakPolarHBondContact O-CA 3.27Å; C837-Y842 PolarHBondContact SG-N 3.16Å; C837-Y842 VanDerWaalsContact SG-N 3.43Å; Y842-V849 PolarHBondContact N-O 3.18Å; Y842-V849 PolarHBondContact O-N 3.29Å; Y842-P851 HydrophobicContact CD2-CG 3.8Å; Y842-P851 HydrophobicContact CE2-CG 3.7Å
843	C	91.9	Very high	87	Confident	2.5 Å²	2.5	49.8 Å²	49.8	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.1	-178	-63.8	0	0	0	0	112	C783 V831 E833 G834 A835 E847	C783-C843 WeakPolarHBondContact CA-SG 3.44Å; C783-C843 HydrophobicContact CB-CB 3.62Å; C783-C843 WeakPolarHBondContact CB-SG 3.36Å; C783-C843 WeakPolarHBondContact SG-CA 3.43Å; C783-C843 WeakPolarHBondContact SG-CB 3.31Å; C783-C843 CovalentContact SG-SG 2.04Å; C783-C843 PolarHBondContact SG-SG 3.11Å; V831-C843 HydrophobicContact CG1-CB 4.19Å; E833-C843 CarbonylContact C-O 3.4Å; E833-C843 WeakPolarHBondContact CA-O 3.33Å; G834-C843 PolarHBondContact N-O 3.41Å; A835-C843 PolarHBondContact O-N 3.1Å; C843-E847 WeakPolarHBondContact CA-O 3.35Å
844	F	89.4	Confident	85.9	Confident	3.75 Å²	3.75	50.3 Å²	50.3	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	135.1	171	-67.4	-68.7	0	0	0	109.7	L729 Y731 E833 G834 Q846 E847 V849 V854 F855	L729-F844 HydrophobicContact CD1-CE2 4.19Å; L729-F844 HydrophobicContact CD1-CZ 4.28Å; Y731-F844 AromaticContact CD2-CE1 3.92Å; Y731-F844 HydrophobicContact CD2-CE1 3.92Å; Y731-F844 HydrophobicContact CE2-CD1 4.37Å; Y731-F844 HydrophobicContact CE2-CE1 4.06Å; E833-F844 HydrophobicContact CB-CD1 3.86Å; E833-F844 HydrophobicContact CB-CE1 4.04Å; E833-F844 HydrophobicContact CG-CD1 4.34Å; G834-F844 VanDerWaalsContact CA-CZ 3.49Å; G834-F844 VanDerWaalsContact N-CE1 3.29Å; F844-Q846 PolarHBondContact O-N 3.05Å; F844-Q846 VanDerWaalsContact O-N 3.09Å; F844-E847 PolarHBondContact N-O 3.16Å; F844-E847 PolarHBondContact O-N 3.21Å; F844-V849 HydrophobicContact CB-CG2 4.09Å; F844-V849 HydrophobicContact CD2-CG2 3.8Å; F844-V849 HydrophobicContact CG-CG2 4.43Å; F844-V854 HydrophobicContact CB-CG1 4.24Å; F844-V854 HydrophobicContact CB-CG2 3.94Å; F844-V854 HydrophobicContact CD1-CG1 4.04Å; F844-V854 HydrophobicContact CD2-CB 4.26Å; F844-V854 HydrophobicContact CD2-CG1 4.26Å; F844-V854 HydrophobicContact CD2-CG2 3.74Å; F844-V854 HydrophobicContact CE2-CG2 4.44Å; F844-V854 HydrophobicContact CG-CB 4.35Å; F844-V854 HydrophobicContact CG-CG1 3.89Å; F844-V854 HydrophobicContact CG-CG2 3.91Å; F844-F855 HydrophobicContact CD1-CZ 4.26Å; F844-F855 HydrophobicContact CE1-CE1 4.38Å; F844-F855 AromaticContact CE1-CE2 3.95Å; F844-F855 HydrophobicContact CE1-CE2 3.99Å; F844-F855 AromaticContact CE1-CZ 3.42Å; F844-F855 HydrophobicContact CE1-CZ 3.42Å; F844-F855 VanDerWaalsContact CE1-CZ 3.44Å; F844-F855 AromaticContact CE2-CE2 3.79Å; F844-F855 HydrophobicContact CE2-CE2 3.79Å; F844-F855 HydrophobicContact CE2-CZ 4.09Å; F844-F855 HydrophobicContact CZ-CE1 4.45Å; F844-F855 AromaticContact CZ-CE2 3.38Å; F844-F855 HydrophobicContact CZ-CE2 3.38Å; F844-F855 VanDerWaalsContact CZ-CE2 3.44Å; F844-F855 AromaticContact CZ-CZ 3.3Å; F844-F855 HydrophobicContact CZ-CZ 3.3Å
845	H	86.7	Confident	85.2	Confident	111.75 Å²	111.75	52.9 Å²	52.9	52%	0.517	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	31.3	-175	-60.3	90.3	0	0	0	114.3	E833 E847	E833-H845 WeakPolarHBondContact OE1-CA 3.34Å; E833-H845 PolarHBondContact OE1-N 3.01Å; E833-H845 IonicContact OE1-ND1 3.85Å; H845-E847 VanDerWaalsContact C-N 3.27Å; H845-E847 PolarHBondContact O-N 2.95Å
846	Q	88.4	Confident	84.6	Confident	40.5 Å²	40.5	61.4 Å²	61.4	19%	0.189	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	9	-173.5	-60	79.8	79.1	0	0	115.8	C769 G770 C783 F830 F844	C769-Q846 HydrophobicContact CB-CB 4.44Å; G770-Q846 VanDerWaalsContact CA-OE1 3.29Å; C783-Q846 VanDerWaalsContact CB-O 3.32Å; C783-Q846 WeakPolarHBondContact CB-O 3.33Å; C783-Q846 WeakPolarHBondContact O-CA 3.22Å; C783-Q846 WeakPolarHBondContact O-CB 3.01Å; F830-Q846 HydrophobicContact CB-CG 4.47Å; F830-Q846 HydrophobicContact CD1-CG 4.19Å; F830-Q846 HydrophobicContact CE1-CG 4.39Å; F830-Q846 HydrophobicContact CG-CG 4.36Å; F844-Q846 PolarHBondContact O-N 3.05Å; F844-Q846 VanDerWaalsContact O-N 3.09Å
847	E	90	Very high	84.2	Confident	99 Å²	99	62.3 Å²	62.3	46%	0.463	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	157	172.4	-62	178.6	-178	0	0	111.5	C783 C843 F844 H845 V849	C783-E847 PolarHBondContact SG-O 3.19Å; C783-E847 VanDerWaalsContact SG-O 3.4Å; C843-E847 WeakPolarHBondContact CA-O 3.35Å; F844-E847 PolarHBondContact N-O 3.16Å; F844-E847 PolarHBondContact O-N 3.21Å; H845-E847 VanDerWaalsContact C-N 3.27Å; H845-E847 PolarHBondContact O-N 2.95Å; E847-V849 HydrophobicContact CB-CG1 3.89Å
848	C	92.5	Very high	83.8	Confident	6.75 Å²	6.75	67.2 Å²	67.2	5%	0.046	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	92.6	180	-179.5	0	0	0	0	111	E779 H780 C837 R841	E779-C848 WeakPolarHBondContact O-CB 3.35Å; H780-C848 PolarHBondContact ND1-N 3.02Å; H780-C848 VanDerWaalsContact ND1-N 3.15Å; C837-C848 HydrophobicContact CB-CB 3.93Å; C837-C848 WeakPolarHBondContact CB-SG 3.25Å; C837-C848 VanDerWaalsContact SG-CA 3.51Å; C837-C848 WeakPolarHBondContact SG-CA 3.39Å; C837-C848 WeakPolarHBondContact SG-CB 3.34Å; C837-C848 CovalentContact SG-SG 2.03Å; C837-C848 PolarHBondContact SG-SG 3.01Å; R841-C848 PolarHBondContact NH1-O 3.16Å; R841-C848 VanDerWaalsContact NH1-O 3.12Å
849	V	90.9	Very high	84	Confident	22.25 Å²	22.25	65.8 Å²	65.8	14%	0.135	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	166.2	-164.1	-59.5	0	0	0	0	112.9	R841 Y842 F844 E847 V854	R841-V849 CarbonylContact C-O 3.54Å; R841-V849 VanDerWaalsContact CA-O 3.29Å; R841-V849 WeakPolarHBondContact CA-O 3.37Å; Y842-V849 PolarHBondContact N-O 3.18Å; Y842-V849 PolarHBondContact O-N 3.29Å; F844-V849 HydrophobicContact CB-CG2 4.09Å; F844-V849 HydrophobicContact CD2-CG2 3.8Å; F844-V849 HydrophobicContact CG-CG2 4.43Å; E847-V849 HydrophobicContact CB-CG1 3.89Å; V849-V854 HydrophobicContact CG2-CG2 3.62Å
850	L	86.9	Confident	84.3	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.356	33%	0.326	S	S	.	.			trans	-82.3	149.4	174.8	-72.6	78.9	0	0	0	110.5	R841 H852 V853	R841-L850 HydrophobicContact CG-CD1 4.15Å; R841-L850 HydrophobicContact CG-CG 4.32Å; R841-L850 VanDerWaalsContact CZ-CD1 3.49Å; L850-H852 VanDerWaalsContact C-N 3.32Å; L850-H852 PolarHBondContact O-N 2.9Å; L850-V853 HydrophobicContact CB-CG2 4.34Å; L850-V853 WeakPolarHBondContact O-CB 3.41Å; L850-V853 PolarHBondContact O-N 3.14Å; L850-V853 VanDerWaalsContact O-N 3.14Å
851	P	76.2	Confident	84.6	Confident	36.5 Å²	36.5	62.9 Å²	62.9	24%	0.237	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-54.2	-42.8	-173.2	-24.5	30.4	0	0	0	114.5	L729 D840 Y842 V853 V854 F855	L729-P851 HydrophobicContact CD1-CB 3.96Å; L729-P851 HydrophobicContact CD1-CG 4.04Å; D840-P851 WeakPolarHBondContact O-CD 3.47Å; Y842-P851 HydrophobicContact CD2-CG 3.8Å; Y842-P851 HydrophobicContact CE2-CG 3.7Å; P851-V853 PolarHBondContact O-N 3.08Å; P851-V853 VanDerWaalsContact O-N 3.09Å; P851-V854 PolarHBondContact O-N 3.13Å; P851-V854 VanDerWaalsContact O-N 3.11Å; P851-F855 PolarHBondContact O-N 2.95Å
852	H	74.5	Confident	84.4	Confident	159 Å²	159	58.5 Å²	58.5	74%	0.736	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.6	-8.3	-174.8	5.1	-85.2	0	0	0	114.6	L850 V854	L850-H852 VanDerWaalsContact C-N 3.32Å; L850-H852 PolarHBondContact O-N 2.9Å; H852-V854 VanDerWaalsContact C-N 3.34Å
853	V	69.9	Low	84.1	Confident	84.5 Å²	84.5	61.5 Å²	61.5	51%	0.512	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-83.9	-19.3	178.8	-174.1	0	0	0	0	111.6	L850 P851 Y1244 R1288	L850-V853 HydrophobicContact CB-CG2 4.34Å; L850-V853 WeakPolarHBondContact O-CB 3.41Å; L850-V853 PolarHBondContact O-N 3.14Å; L850-V853 VanDerWaalsContact O-N 3.14Å; P851-V853 PolarHBondContact O-N 3.08Å; P851-V853 VanDerWaalsContact O-N 3.09Å; V853-Y1244 HydrophobicContact CG1-CE2 3.88Å; V853-R1288 PolarHBondContact O-NH2 2.99Å
854	V	68.6	Low	83.6	Confident	52 Å²	52	62.6 Å²	62.6	32%	0.315	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-33.9	-167.2	-175	0	0	0	0	113	F844 V849 P851 H852	F844-V854 HydrophobicContact CB-CG1 4.24Å; F844-V854 HydrophobicContact CB-CG2 3.94Å; F844-V854 HydrophobicContact CD1-CG1 4.04Å; F844-V854 HydrophobicContact CD2-CB 4.26Å; F844-V854 HydrophobicContact CD2-CG1 4.26Å; F844-V854 HydrophobicContact CD2-CG2 3.74Å; F844-V854 HydrophobicContact CE2-CG2 4.44Å; F844-V854 HydrophobicContact CG-CB 4.35Å; F844-V854 HydrophobicContact CG-CG1 3.89Å; F844-V854 HydrophobicContact CG-CG2 3.91Å; V849-V854 HydrophobicContact CG2-CG2 3.62Å; P851-V854 PolarHBondContact O-N 3.13Å; P851-V854 VanDerWaalsContact O-N 3.11Å; H852-V854 VanDerWaalsContact C-N 3.34Å
855	F	74.5	Confident	82.8	Confident	53.5 Å²	53.5	66.1 Å²	66.1	24%	0.235	36%	0.359	C	S	.	.			trans	-110.9	134.3	-170.6	-58.9	-59.1	0	0	0	113.7	N669 G670 L729 Y731 F844 P851	N669-F855 HydrophobicContact CB-CD1 3.92Å; N669-F855 HydrophobicContact CB-CE1 3.4Å; N669-F855 VanDerWaalsContact CB-CE1 3.46Å; N669-F855 HydrophobicContact CB-CZ 3.95Å; N669-F855 WeakPolarHBondContact O-CD1 3.38Å; N669-F855 WeakPolarHBondContact O-CG 3.26Å; G670-F855 VanDerWaalsContact CA-CD2 3.45Å; G670-F855 VanDerWaalsContact CA-CE2 3.44Å; L729-F855 HydrophobicContact CD1-CD2 4.42Å; L729-F855 HydrophobicContact CD1-CE2 4.15Å; Y731-F855 HydrophobicContact CD2-CE1 4.41Å; Y731-F855 HydrophobicContact CD2-CZ 4.29Å; Y731-F855 HydrophobicContact CE2-CE1 4.37Å; Y731-F855 HydrophobicContact CE2-CZ 4.46Å; F844-F855 HydrophobicContact CD1-CZ 4.26Å; F844-F855 HydrophobicContact CE1-CE1 4.38Å; F844-F855 AromaticContact CE1-CE2 3.95Å; F844-F855 HydrophobicContact CE1-CE2 3.99Å; F844-F855 AromaticContact CE1-CZ 3.42Å; F844-F855 HydrophobicContact CE1-CZ 3.42Å; F844-F855 VanDerWaalsContact CE1-CZ 3.44Å; F844-F855 AromaticContact CE2-CE2 3.79Å; F844-F855 HydrophobicContact CE2-CE2 3.79Å; F844-F855 HydrophobicContact CE2-CZ 4.09Å; F844-F855 HydrophobicContact CZ-CE1 4.45Å; F844-F855 AromaticContact CZ-CE2 3.38Å; F844-F855 HydrophobicContact CZ-CE2 3.38Å; F844-F855 VanDerWaalsContact CZ-CE2 3.44Å; F844-F855 AromaticContact CZ-CZ 3.3Å; F844-F855 HydrophobicContact CZ-CZ 3.3Å; P851-F855 PolarHBondContact O-N 2.95Å
856	Q	78.5	Confident	81.9	Confident	180.25 Å²	180.25	64.7 Å²	64.7	84%	0.842	35%	0.352	S	S	*	.			trans	-121.9	118.2	164.9	-123	178.5	-11.9	0	0	106.8
857	S	80.4	Confident	81	Confident	45.75 Å²	45.75	69.7 Å²	69.7	32%	0.32	38%	0.375	S	S	.	.			trans	-74.2	142	-174.4	72.4	0	0	0	0	112.5	E668 C859 T879 C886	E668-S857 WeakPolarHBondContact OE2-CA 3.42Å; E668-S857 WeakPolarHBondContact OE2-CB 3.38Å; E668-S857 PolarHBondContact OE2-OG 3.45Å; S857-C859 VanDerWaalsContact C-N 3.32Å; S857-C859 PolarHBondContact OG-N 3.03Å; S857-T879 WeakPolarHBondContact OG-CG2 3.27Å; S857-T879 PolarHBondContact OG-OG1 3.28Å; S857-C886 PolarHBondContact OG-SG 2.87Å; S857-C886 VanDerWaalsContact OG-SG 3.41Å
858	N	85.2	Confident	80.1	Confident	111 Å²	111	68.5 Å²	68.5	59%	0.594	37%	0.371	S	S	*	.			trans	-87.5	-12.5	175.7	-65.5	-88.1	0	0	0	113	E668 R1268	E668-N858 WeakPolarHBondContact OE1-CB 3.42Å; E668-N858 PolarHBondContact OE1-N 2.98Å; E668-N858 PolarHBondContact OE1-ND2 3.25Å; E668-N858 PolarHBondContact OE2-N 3.14Å; N858-R1268 VanDerWaalsContact CG-NH1 3.27Å; N858-R1268 VanDerWaalsContact OD1-CZ 3.27Å; N858-R1268 PolarHBondContact OD1-NH1 2.97Å; N858-R1268 PolarHBondContact OD1-NH2 2.81Å
859	C	90.6	Very high	79.2	Confident	8 Å²	8	78.3 Å²	78.3	5%	0.054	42%	0.417	C	S	.	.	S	Bend	trans	-72.6	154.5	176.3	-72.8	0	0	0	0	113.4	S857 T879 C886 G890 F891	S857-C859 VanDerWaalsContact C-N 3.32Å; S857-C859 PolarHBondContact OG-N 3.03Å; C859-T879 HydrophobicContact CB-CG2 3.64Å; C859-C886 HydrophobicContact CB-CB 3.78Å; C859-C886 WeakPolarHBondContact CB-SG 3.41Å; C859-C886 WeakPolarHBondContact SG-CA 3.31Å; C859-C886 WeakPolarHBondContact SG-CB 3.36Å; C859-C886 CovalentContact SG-SG 2.02Å; C859-C886 PolarHBondContact SG-SG 3.19Å; C859-G890 WeakPolarHBondContact CA-O 3.49Å; C859-G890 VanDerWaalsContact SG-C 3.53Å; C859-F891 VanDerWaalsContact SG-C 3.57Å; C859-F891 PolarHBondContact SG-N 2.82Å; C859-F891 VanDerWaalsContact SG-N 3.39Å; C859-F891 PolarHBondContact SG-O 2.95Å; C859-F891 VanDerWaalsContact SG-O 3.35Å
860	P	91.7	Very high	78.5	Confident	51 Å²	51	83 Å²	83	33%	0.331	44%	0.441	S	S	.	.			trans	-65	150.4	174.4	29.7	-36.5	0	0	0	111.9	C880 N901 A902	P860-C880 PolarHBondContact O-N 3.34Å; P860-C880 VanDerWaalsContact O-N 3.1Å; P860-N901 WeakPolarHBondContact CG-O 3.44Å; P860-A902 HydrophobicContact CB-CB 4.06Å; P860-A902 HydrophobicContact CG-CB 4Å
861	T	89.5	Confident	77.9	Confident	77 Å²	77	81.8 Å²	81.8	47%	0.472	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.7	174.3	60	0	0	0	0	110.2	V878	T861-V878 CarbonylContact C-O 3.56Å; T861-V878 VanDerWaalsContact CA-O 3.24Å; T861-V878 WeakPolarHBondContact CA-O 3.36Å; T861-V878 WeakPolarHBondContact CB-O 3.37Å
862	G	84.9	Confident	77.9	Confident	3.75 Å²	3.75	85.9 Å²	85.9	4%	0.039	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164.7	176.1	0	0	0	0	0	111.6	N877 V878 S881	G862-N877 WeakPolarHBondContact O-CA 3.42Å; G862-V878 PolarHBondContact N-O 3.22Å; G862-V878 PolarHBondContact O-N 3.1Å; G862-S881 VanDerWaalsContact CA-OG 3.31Å; G862-S881 WeakPolarHBondContact CA-OG 3.42Å
863	P	84.9	Confident	77.9	Confident	75 Å²	75	82.3 Å²	82.3	49%	0.487	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.8	-173.2	31.7	-33.5	0	0	0	112.1
864	I	80.8	Confident	78.2	Confident	26.25 Å²	26.25	82.2 Å²	82.2	14%	0.135	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.1	163.4	-169.5	166.8	0	0	0	110.5	K866 Y875 Q876 V878 D882	I864-K866 HydrophobicContact CG1-CG 4.5Å; I864-K866 HydrophobicContact CG2-CD 4.45Å; I864-K866 HydrophobicContact CG2-CG 4.42Å; I864-Y875 WeakPolarHBondContact O-CA 3.32Å; I864-Q876 HydrophobicContact CG2-CB 4.22Å; I864-Q876 WeakPolarHBondContact CG2-O 3.28Å; I864-Q876 PolarHBondContact N-O 3.27Å; I864-Q876 PolarHBondContact O-N 3.19Å; I864-V878 HydrophobicContact CB-CG2 4.1Å; I864-V878 HydrophobicContact CG2-CB 4.44Å; I864-V878 HydrophobicContact CG2-CG1 3.92Å; I864-V878 HydrophobicContact CG2-CG2 3.61Å; I864-D882 HydrophobicContact CD1-CB 3.72Å
865	S	72.1	Confident	78.5	Confident	75.5 Å²	75.5	87.8 Å²	87.8	53%	0.528	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.1	172.6	52.7	0	0	0	0	110.7
866	K	69.1	Low	78.8	Confident	83.5 Å²	83.5	89.5 Å²	89.5	36%	0.363	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.5	173.7	-70.9	176.9	179.6	171.1	0	109.6	I864 L868 I873 I874	I864-K866 HydrophobicContact CG1-CG 4.5Å; I864-K866 HydrophobicContact CG2-CD 4.45Å; I864-K866 HydrophobicContact CG2-CG 4.42Å; K866-L868 WeakPolarHBondContact O-CD1 3.3Å; K866-I873 WeakPolarHBondContact O-CA 3.34Å; K866-I874 PolarHBondContact N-O 3.12Å; K866-I874 PolarHBondContact O-N 3.09Å
867	Q	69.3	Low	79	Confident	145.75 Å²	145.75	86.2 Å²	86.2	68%	0.681	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.3	170.2	-168.7	174.2	15.5	0	0	109.1	G871 H872 I873	Q867-G871 PolarHBondContact NE2-O 3.32Å; Q867-H872 WeakPolarHBondContact CA-O 3.27Å; Q867-I873 HydrophobicContact CB-CG1 4.46Å; Q867-I873 HydrophobicContact CG-CG1 4.38Å
868	L	70.3	Confident	79.2	Confident	73.25 Å²	73.25	85.1 Å²	85.1	38%	0.384	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-82.8	162.4	175	-81.6	66.6	0	0	0	110.3	K866 N870 G871 H872 I874	K866-L868 WeakPolarHBondContact O-CD1 3.3Å; L868-N870 VanDerWaalsContact CB-OD1 3.25Å; L868-N870 WeakPolarHBondContact CB-OD1 3.34Å; L868-N870 PolarHBondContact O-N 3.15Å; L868-N870 VanDerWaalsContact O-N 3.07Å; L868-G871 WeakPolarHBondContact O-CA 3.43Å; L868-G871 PolarHBondContact O-N 2.88Å; L868-H872 PolarHBondContact N-O 3.12Å; L868-I874 HydrophobicContact CD1-CB 4.08Å; L868-I874 HydrophobicContact CD1-CD1 3.76Å; L868-I874 HydrophobicContact CD1-CG1 3.81Å; L868-I874 HydrophobicContact CD2-CD1 3.83Å; L868-I874 HydrophobicContact CD2-CG1 4.45Å; L868-I874 HydrophobicContact CG-CD1 4.43Å
869	E	73.7	Confident	79.4	Confident	212.75 Å²	212.75	82.3 Å²	82.3	99%	0.994	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.2	179.7	-60.4	179.2	158.2	0	0	113.6	G871	E869-G871 VanDerWaalsContact C-N 3.28Å; E869-G871 PolarHBondContact O-N 3.19Å
870	N	77.1	Confident	79.4	Confident	121.5 Å²	121.5	81.9 Å²	81.9	65%	0.65	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	9	173.7	67.7	-1.8	0	0	0	113.9	L868 H872	L868-N870 VanDerWaalsContact CB-OD1 3.25Å; L868-N870 WeakPolarHBondContact CB-OD1 3.34Å; L868-N870 PolarHBondContact O-N 3.15Å; L868-N870 VanDerWaalsContact O-N 3.07Å; N870-H872 VanDerWaalsContact C-N 3.27Å; N870-H872 PolarHBondContact O-N 3.06Å; N870-H872 WeakPolarHBondContact OD1-CB 3.34Å; N870-H872 PolarHBondContact OD1-N 3.12Å; N870-H872 VanDerWaalsContact OD1-N 3.17Å
871	G	74	Confident	79.3	Confident	42.5 Å²	42.5	79.5 Å²	79.5	44%	0.438	42%	0.415	S	S	.	.	S	Bend	trans	79	-5.5	-178.6	0	0	0	0	0	115.4	Q867 L868 E869	Q867-G871 PolarHBondContact NE2-O 3.32Å; L868-G871 WeakPolarHBondContact O-CA 3.43Å; L868-G871 PolarHBondContact O-N 2.88Å; E869-G871 VanDerWaalsContact C-N 3.28Å; E869-G871 PolarHBondContact O-N 3.19Å
872	H	77	Confident	79.2	Confident	122.25 Å²	122.25	80.8 Å²	80.8	57%	0.566	42%	0.419	S	S	*	.			trans	-74.7	132.5	-179	-148	88.8	0	0	0	111.1	Q867 L868 N870	Q867-H872 WeakPolarHBondContact CA-O 3.27Å; L868-H872 PolarHBondContact N-O 3.12Å; N870-H872 VanDerWaalsContact C-N 3.27Å; N870-H872 PolarHBondContact O-N 3.06Å; N870-H872 WeakPolarHBondContact OD1-CB 3.34Å; N870-H872 PolarHBondContact OD1-N 3.12Å; N870-H872 VanDerWaalsContact OD1-N 3.17Å
873	I	74.3	Confident	79.4	Confident	84 Å²	84	82.5 Å²	82.5	43%	0.431	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	118.1	175.6	-58.6	175.1	0	0	0	108.7	K866 Q867 Y875	K866-I873 WeakPolarHBondContact O-CA 3.34Å; Q867-I873 HydrophobicContact CB-CG1 4.46Å; Q867-I873 HydrophobicContact CG-CG1 4.38Å; I873-Y875 HydrophobicContact CG2-CE2 4.27Å
874	I	76	Confident	79.5	Confident	80.75 Å²	80.75	79.5 Å²	79.5	41%	0.414	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.9	170.7	-65.8	-175.6	0	0	0	109	K866 L868	K866-I874 PolarHBondContact N-O 3.12Å; K866-I874 PolarHBondContact O-N 3.09Å; L868-I874 HydrophobicContact CD1-CB 4.08Å; L868-I874 HydrophobicContact CD1-CD1 3.76Å; L868-I874 HydrophobicContact CD1-CG1 3.81Å; L868-I874 HydrophobicContact CD2-CD1 3.83Å; L868-I874 HydrophobicContact CD2-CG1 4.45Å; L868-I874 HydrophobicContact CG-CD1 4.43Å
875	Y	74.5	Confident	79.9	Confident	169.5 Å²	169.5	81.4 Å²	81.4	67%	0.665	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.3	168	-62.6	-84.6	0	0	0	109.3	I864 I873	I864-Y875 WeakPolarHBondContact O-CA 3.32Å; I873-Y875 HydrophobicContact CG2-CE2 4.27Å
876	Q	80.3	Confident	80.8	Confident	89.5 Å²	89.5	78.3 Å²	78.3	42%	0.418	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.1	176.1	-171.2	-178.8	11.7	0	0	109	I864 V878	I864-Q876 HydrophobicContact CG2-CB 4.22Å; I864-Q876 WeakPolarHBondContact CG2-O 3.28Å; I864-Q876 PolarHBondContact N-O 3.27Å; I864-Q876 PolarHBondContact O-N 3.19Å; Q876-V878 HydrophobicContact CB-CG1 4.34Å; Q876-V878 HydrophobicContact CG-CG1 3.82Å; Q876-V878 PolarHBondContact O-N 3.16Å
877	N	83.3	Confident	81.9	Confident	111.5 Å²	111.5	74.3 Å²	74.3	60%	0.596	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	123	168.3	-72.7	6.5	0	0	0	108.9	G862	G862-N877 WeakPolarHBondContact O-CA 3.42Å
878	V	85.6	Confident	82.8	Confident	23.75 Å²	23.75	69.8 Å²	69.8	14%	0.144	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.5	179.6	-60.4	0	0	0	0	110.2	T861 G862 I864 Q876 C880 S881 D882	T861-V878 CarbonylContact C-O 3.56Å; T861-V878 VanDerWaalsContact CA-O 3.24Å; T861-V878 WeakPolarHBondContact CA-O 3.36Å; T861-V878 WeakPolarHBondContact CB-O 3.37Å; G862-V878 PolarHBondContact N-O 3.22Å; G862-V878 PolarHBondContact O-N 3.1Å; I864-V878 HydrophobicContact CB-CG2 4.1Å; I864-V878 HydrophobicContact CG2-CB 4.44Å; I864-V878 HydrophobicContact CG2-CG1 3.92Å; I864-V878 HydrophobicContact CG2-CG2 3.61Å; Q876-V878 HydrophobicContact CB-CG1 4.34Å; Q876-V878 HydrophobicContact CG-CG1 3.82Å; Q876-V878 PolarHBondContact O-N 3.16Å; V878-C880 PolarHBondContact O-N 3.08Å; V878-S881 VanDerWaalsContact CG2-C 3.44Å; V878-S881 PolarHBondContact O-N 3.2Å; V878-S881 VanDerWaalsContact O-N 3.15Å; V878-D882 HydrophobicContact CG2-CB 4.2Å
879	T	87.5	Confident	83.6	Confident	50.5 Å²	50.5	69.1 Å²	69.1	31%	0.31	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	128.8	179.1	-48.3	0	0	0	0	109.9	S857 C859 S881 D882 C886	S857-T879 WeakPolarHBondContact OG-CG2 3.27Å; S857-T879 PolarHBondContact OG-OG1 3.28Å; C859-T879 HydrophobicContact CB-CG2 3.64Å; T879-S881 PolarHBondContact O-N 3.38Å; T879-S881 VanDerWaalsContact O-N 3.09Å; T879-D882 PolarHBondContact O-N 3.17Å; T879-C886 HydrophobicContact CG2-CB 4.27Å
880	C	90.9	Very high	84.3	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.007	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	52.8	27.7	-178.2	-51	0	0	0	0	115.1	P860 V878 D882 H883 G884 C892 A902	P860-C880 PolarHBondContact O-N 3.34Å; P860-C880 VanDerWaalsContact O-N 3.1Å; V878-C880 PolarHBondContact O-N 3.08Å; C880-D882 PolarHBondContact O-N 3.04Å; C880-H883 CarbonylContact O-C 3.35Å; C880-H883 PolarHBondContact O-N 2.96Å; C880-G884 VanDerWaalsContact CB-O 3.24Å; C880-G884 WeakPolarHBondContact CB-O 3.28Å; C880-G884 PolarHBondContact O-N 2.88Å; C880-C892 WeakPolarHBondContact CA-SG 3.31Å; C880-C892 HydrophobicContact CB-CB 3.7Å; C880-C892 WeakPolarHBondContact CB-SG 3.26Å; C880-C892 VanDerWaalsContact SG-CA 3.55Å; C880-C892 WeakPolarHBondContact SG-CB 3.34Å; C880-C892 CovalentContact SG-SG 2.03Å; C880-C892 PolarHBondContact SG-SG 3.37Å; C880-A902 CarbonylContact C-O 3.56Å; C880-A902 VanDerWaalsContact CA-O 3.28Å; C880-A902 WeakPolarHBondContact CA-O 3.45Å
881	S	89.9	Confident	84.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	55.2	17.5	179.1	-50.7	0	0	0	0	115.9	G862 V878 T879 H883 A902	G862-S881 VanDerWaalsContact CA-OG 3.31Å; G862-S881 WeakPolarHBondContact CA-OG 3.42Å; V878-S881 VanDerWaalsContact CG2-C 3.44Å; V878-S881 PolarHBondContact O-N 3.2Å; V878-S881 VanDerWaalsContact O-N 3.15Å; T879-S881 PolarHBondContact O-N 3.38Å; T879-S881 VanDerWaalsContact O-N 3.09Å; S881-H883 PolarHBondContact O-CE1 3.16Å; S881-H883 PolarHBondContact O-N 3.36Å; S881-H883 PolarHBondContact O-ND1 2.96Å; S881-A902 VanDerWaalsContact CB-O 3.26Å; S881-A902 WeakPolarHBondContact CB-O 3.38Å; S881-A902 PolarHBondContact N-O 2.93Å; S881-A902 VanDerWaalsContact N-O 3.15Å; S881-A902 PolarHBondContact OG-O 2.94Å
882	D	86.8	Confident	85.7	Confident	103.75 Å²	103.75	53.1 Å²	53.1	56%	0.555	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	63.5	9.2	-166.7	-125.7	-3.6	0	0	0	113.6	I864 V878 T879 C880	I864-D882 HydrophobicContact CD1-CB 3.72Å; V878-D882 HydrophobicContact CG2-CB 4.2Å; T879-D882 PolarHBondContact O-N 3.17Å; C880-D882 PolarHBondContact O-N 3.04Å
883	H	89.3	Confident	86.3	Confident	39 Å²	39	48.1 Å²	48.1	18%	0.181	26%	0.258	C	S	.	.	S	Bend	trans	-114	15.7	-175.8	-55.1	147	0	0	0	113.2	C880 S881 C894 H895 W898 C903	C880-H883 CarbonylContact O-C 3.35Å; C880-H883 PolarHBondContact O-N 2.96Å; S881-H883 PolarHBondContact O-CE1 3.16Å; S881-H883 PolarHBondContact O-N 3.36Å; S881-H883 PolarHBondContact O-ND1 2.96Å; H883-C894 CarbonylContact O-C 3.41Å; H883-C894 WeakPolarHBondContact O-CA 3.32Å; H883-H895 VanDerWaalsContact C-ND1 3.27Å; H883-H895 PolarHBondContact O-N 3.12Å; H883-H895 PolarHBondContact O-ND1 3.27Å; H883-W898 HydrophobicContact CB-CB 4.09Å; H883-W898 HydrophobicContact CB-CD2 3.76Å; H883-W898 HydrophobicContact CB-CE3 4.23Å; H883-W898 HydrophobicContact CB-CG 3.67Å; H883-W898 AromaticContact CD2-CE2 3.89Å; H883-W898 AromaticContact CD2-CZ2 3.98Å; H883-W898 AromaticContact CE1-CE2 3.86Å; H883-W898 AromaticContact CE1-CE3 3.94Å; H883-W898 AromaticContact CE1-CH2 3.24Å; H883-W898 WeakPolarHBondContact CE1-CH2 3.36Å; H883-W898 AromaticContact CE1-CZ2 3.44Å; H883-W898 VanDerWaalsContact CE1-CZ2 3.44Å; H883-W898 WeakPolarHBondContact CE1-CZ2 3.41Å; H883-W898 AromaticContact CE1-CZ3 3.51Å; H883-W898 VanDerWaalsContact CE1-CZ3 3.49Å; H883-W898 WeakPolarHBondContact CE1-CZ3 3.5Å; H883-W898 AromaticContact CG-CD2 3.61Å; H883-W898 AromaticContact CG-CE2 3.66Å; H883-W898 AromaticContact CG-CE3 3.91Å; H883-W898 AromaticContact CG-CG 3.97Å; H883-W898 AromaticContact ND1-CD2 3.48Å; H883-W898 AromaticContact ND1-CE2 3.64Å; H883-W898 AromaticContact ND1-CE3 3.29Å; H883-W898 VanDerWaalsContact ND1-CE3 3.29Å; H883-W898 AromaticContact ND1-CH2 3.52Å; H883-W898 WeakPolarHBondContact ND1-CH2 3.39Å; H883-W898 AromaticContact ND1-CZ2 3.67Å; H883-W898 AromaticContact ND1-CZ3 3.32Å; H883-W898 VanDerWaalsContact ND1-CZ3 3.32Å; H883-W898 WeakPolarHBondContact ND1-CZ3 3.43Å; H883-W898 AromaticContact NE2-CE2 3.98Å; H883-W898 AromaticContact NE2-CH2 3.92Å; H883-W898 AromaticContact NE2-CZ2 3.65Å; H883-C903 HydrophobicContact CB-CB 3.85Å; H883-C903 WeakPolarHBondContact CB-O 3.34Å; H883-C903 PolarHBondContact ND1-O 3.01Å; H883-C903 WeakPolarHBondContact O-CB 3.33Å
884	G	88.4	Confident	87.1	Confident	12.25 Å²	12.25	44.8 Å²	44.8	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	167.1	174	0	0	0	0	0	113.8	C880 L893	C880-G884 VanDerWaalsContact CB-O 3.24Å; C880-G884 WeakPolarHBondContact CB-O 3.28Å; C880-G884 PolarHBondContact O-N 2.88Å; G884-L893 CarbonylContact C-O 3.49Å; G884-L893 WeakPolarHBondContact CA-O 3.33Å
885	L	89.2	Confident	87.7	Confident	66.25 Å²	66.25	44.2 Å²	44.2	35%	0.347	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.9	-179.4	-57.7	175.6	0	0	0	110.6	L667 C892 L893 W953 L956	L667-L885 HydrophobicContact CD1-CD1 4.14Å; L667-L885 HydrophobicContact CD2-CB 3.93Å; L667-L885 HydrophobicContact CD2-CD1 4.16Å; L885-C892 CarbonylContact O-C 3.55Å; L885-C892 WeakPolarHBondContact O-CA 3.33Å; L885-L893 HydrophobicContact CB-CB 4.41Å; L885-L893 PolarHBondContact N-O 3.14Å; L885-L893 PolarHBondContact O-N 3.07Å; L885-W953 HydrophobicContact CD1-CH2 3.57Å; L885-W953 HydrophobicContact CD1-CZ2 4.06Å; L885-W953 HydrophobicContact CD1-CZ3 4.02Å; L885-W953 HydrophobicContact CD2-CH2 4.43Å; L885-W953 HydrophobicContact CG-CH2 3.65Å; L885-W953 HydrophobicContact CG-CZ2 4.01Å; L885-L956 HydrophobicContact CD1-CD1 3.82Å
886	C	90.8	Very high	88.1	Confident	10.75 Å²	10.75	39.1 Å²	39.1	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	139	176.5	-175.6	0	0	0	0	111.9	L667 E668 S857 C859 T879	L667-C886 WeakPolarHBondContact CA-O 3.27Å; E668-C886 HydrophobicContact CB-CB 4.12Å; E668-C886 VanDerWaalsContact CD-SG 3.6Å; E668-C886 PolarHBondContact N-O 3.06Å; E668-C886 PolarHBondContact OE2-SG 3.2Å; S857-C886 PolarHBondContact OG-SG 2.87Å; S857-C886 VanDerWaalsContact OG-SG 3.41Å; C859-C886 HydrophobicContact CB-CB 3.78Å; C859-C886 WeakPolarHBondContact CB-SG 3.41Å; C859-C886 WeakPolarHBondContact SG-CA 3.31Å; C859-C886 WeakPolarHBondContact SG-CB 3.36Å; C859-C886 CovalentContact SG-SG 2.02Å; C859-C886 PolarHBondContact SG-SG 3.19Å; T879-C886 HydrophobicContact CG2-CB 4.27Å
887	T	91.2	Very high	88.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-99	157.6	174.8	60.4	0	0	0	0	112.7	L650 Y666 A889 G890 F891 L893	L650-T887 HydrophobicContact CD1-CG2 4.01Å; Y666-T887 CarbonylContact O-C 3.57Å; Y666-T887 WeakPolarHBondContact O-CA 3.29Å; T887-A889 PolarHBondContact O-N 2.89Å; T887-A889 VanDerWaalsContact O-N 3.07Å; T887-G890 PolarHBondContact O-N 3.08Å; T887-F891 WeakPolarHBondContact CB-O 3.44Å; T887-F891 HydrophobicContact CG2-CD2 4.23Å; T887-F891 HydrophobicContact CG2-CE1 4.37Å; T887-F891 HydrophobicContact CG2-CE2 3.79Å; T887-F891 HydrophobicContact CG2-CZ 3.88Å; T887-F891 WeakPolarHBondContact CG2-O 3.45Å; T887-F891 PolarHBondContact N-O 3.18Å; T887-F891 VanDerWaalsContact N-O 3.13Å; T887-F891 VanDerWaalsContact OG1-CD1 3.27Å; T887-F891 WeakPolarHBondContact OG1-CD1 3.35Å; T887-F891 WeakPolarHBondContact OG1-CE1 3.43Å; T887-F891 WeakPolarHBondContact OG1-CG 3.46Å; T887-F891 PolarHBondContact OG1-N 2.98Å; T887-F891 PolarHBondContact OG1-O 3.15Å; T887-L893 HydrophobicContact CG2-CD1 3.62Å; T887-L893 VanDerWaalsContact CG2-CD1 3.46Å; T887-L893 HydrophobicContact CG2-CG 3.8Å
888	N	89	Confident	88.6	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.273	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-20.5	169.3	68.4	-26.1	0	0	0	114.6	D664 L665 Y666 G890	D664-N888 PolarHBondContact O-ND2 3.06Å; L665-N888 WeakPolarHBondContact CA-OD1 3.46Å; L665-N888 WeakPolarHBondContact CD2-OD1 3.38Å; Y666-N888 HydrophobicContact CD1-CB 4.35Å; Y666-N888 WeakPolarHBondContact CD1-ND2 3.28Å; Y666-N888 HydrophobicContact CD2-CB 3.66Å; Y666-N888 HydrophobicContact CE1-CB 4.21Å; Y666-N888 WeakPolarHBondContact CE1-ND2 3.27Å; Y666-N888 HydrophobicContact CE2-CB 3.49Å; Y666-N888 VanDerWaalsContact CE2-CB 3.43Å; Y666-N888 HydrophobicContact CG-CB 4.09Å; Y666-N888 PolarHBondContact N-OD1 3.08Å; Y666-N888 VanDerWaalsContact N-OD1 3.08Å; Y666-N888 WeakPolarHBondContact O-CB 3.32Å; Y666-N888 PolarHBondContact O-N 3.25Å; Y666-N888 PolarHBondContact O-OD1 3.18Å; N888-G890 VanDerWaalsContact C-N 3.33Å
889	A	86.9	Confident	88.7	Confident	58.25 Å²	58.25	41 Å²	41	48%	0.481	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-0.1	176.3	0	0	0	0	0	114	L665 T887 F891	L665-A889 HydrophobicContact CD2-CB 3.9Å; T887-A889 PolarHBondContact O-N 2.89Å; T887-A889 VanDerWaalsContact O-N 3.07Å; A889-F891 HydrophobicContact CB-CD1 3.72Å; A889-F891 HydrophobicContact CB-CE1 3.65Å
890	G	88.4	Confident	88.6	Confident	20 Å²	20	39.5 Å²	39.5	21%	0.206	22%	0.223	C	C	.	.	S	Bend	trans	79.4	23.8	176.8	0	0	0	0	0	114.8	C859 T887 N888	C859-G890 WeakPolarHBondContact CA-O 3.49Å; C859-G890 VanDerWaalsContact SG-C 3.53Å; T887-G890 PolarHBondContact O-N 3.08Å; N888-G890 VanDerWaalsContact C-N 3.33Å
891	F	88.5	Confident	88.5	Confident	20.75 Å²	20.75	44 Å²	44	9%	0.091	25%	0.248	C	C	.	.			trans	-122.8	151.4	172.5	72.2	-98.4	0	0	0	112.3	L665 C859 T887 A889 L893 N942 P943 L944 Y955 L956 M959	L665-F891 HydrophobicContact CD1-CZ 4.18Å; L665-F891 HydrophobicContact CD2-CE1 4.09Å; L665-F891 HydrophobicContact CD2-CZ 4.3Å; C859-F891 VanDerWaalsContact SG-C 3.57Å; C859-F891 PolarHBondContact SG-N 2.82Å; C859-F891 VanDerWaalsContact SG-N 3.39Å; C859-F891 PolarHBondContact SG-O 2.95Å; C859-F891 VanDerWaalsContact SG-O 3.35Å; T887-F891 WeakPolarHBondContact CB-O 3.44Å; T887-F891 HydrophobicContact CG2-CD2 4.23Å; T887-F891 HydrophobicContact CG2-CE1 4.37Å; T887-F891 HydrophobicContact CG2-CE2 3.79Å; T887-F891 HydrophobicContact CG2-CZ 3.88Å; T887-F891 WeakPolarHBondContact CG2-O 3.45Å; T887-F891 PolarHBondContact N-O 3.18Å; T887-F891 VanDerWaalsContact N-O 3.13Å; T887-F891 VanDerWaalsContact OG1-CD1 3.27Å; T887-F891 WeakPolarHBondContact OG1-CD1 3.35Å; T887-F891 WeakPolarHBondContact OG1-CE1 3.43Å; T887-F891 WeakPolarHBondContact OG1-CG 3.46Å; T887-F891 PolarHBondContact OG1-N 2.98Å; T887-F891 PolarHBondContact OG1-O 3.15Å; A889-F891 HydrophobicContact CB-CD1 3.72Å; A889-F891 HydrophobicContact CB-CE1 3.65Å; F891-L893 HydrophobicContact CE2-CD2 3.88Å; F891-L893 HydrophobicContact CE2-CG 4.14Å; F891-L893 HydrophobicContact CZ-CD2 4.49Å; F891-N942 HydrophobicContact CD2-CB 4.43Å; F891-N942 WeakPolarHBondContact CD2-OD1 3.02Å; F891-P943 HydrophobicContact CD1-CG 3.84Å; F891-P943 HydrophobicContact CE1-CG 3.53Å; F891-P943 HydrophobicContact CZ-CG 3.97Å; F891-L944 HydrophobicContact CZ-CD1 3.92Å; F891-L944 HydrophobicContact CZ-CD2 4.43Å; F891-Y955 HydrophobicContact CB-CE1 4.17Å; F891-Y955 AromaticContact CD2-CD1 3.98Å; F891-Y955 HydrophobicContact CD2-CD1 3.98Å; F891-Y955 AromaticContact CD2-CE1 3.62Å; F891-Y955 HydrophobicContact CD2-CE1 3.85Å; F891-Y955 HydrophobicContact CE2-CD1 4.02Å; F891-Y955 AromaticContact CE2-CE1 3.82Å; F891-Y955 HydrophobicContact CE2-CE1 4.16Å; F891-Y955 AromaticContact CG-CE1 3.88Å; F891-Y955 HydrophobicContact CG-CE1 3.88Å; F891-L956 HydrophobicContact CE1-CD2 4.24Å; F891-L956 HydrophobicContact CE2-CD2 4.04Å; F891-L956 HydrophobicContact CZ-CD2 3.64Å; F891-M959 HydrophobicContact CB-CE 3.67Å; F891-M959 HydrophobicContact CD1-CE 4.32Å; F891-M959 HydrophobicContact CD2-CE 4.07Å; F891-M959 HydrophobicContact CG-CE 4.23Å
892	C	91.6	Very high	88.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	136	-179.9	-63.7	0	0	0	0	112	C880 L885 C894 C903 N942 Y955	C880-C892 WeakPolarHBondContact CA-SG 3.31Å; C880-C892 HydrophobicContact CB-CB 3.7Å; C880-C892 WeakPolarHBondContact CB-SG 3.26Å; C880-C892 VanDerWaalsContact SG-CA 3.55Å; C880-C892 WeakPolarHBondContact SG-CB 3.34Å; C880-C892 CovalentContact SG-SG 2.03Å; C880-C892 PolarHBondContact SG-SG 3.37Å; L885-C892 CarbonylContact O-C 3.55Å; L885-C892 WeakPolarHBondContact O-CA 3.33Å; C892-C894 PolarHBondContact O-N 3.21Å; C892-C903 VanDerWaalsContact CB-SG 3.57Å; C892-N942 PolarHBondContact O-ND2 3.39Å; C892-N942 PolarHBondContact O-OD1 2.9Å; C892-Y955 WeakPolarHBondContact O-CE1 3.21Å; C892-Y955 PolarHBondContact O-OH 3.09Å
893	L	89.6	Confident	88.7	Confident	17.75 Å²	17.75	39.3 Å²	39.3	9%	0.093	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	100.2	165.4	-71.3	168.8	0	0	0	108.5	L650 L667 G884 L885 T887 F891 L944 I949 I952 W953 Y955	L650-L893 HydrophobicContact CD1-CD1 3.63Å; L650-L893 VanDerWaalsContact CD1-CD1 3.48Å; L650-L893 HydrophobicContact CD2-CD1 3.97Å; L667-L893 HydrophobicContact CD2-CD1 4.45Å; G884-L893 CarbonylContact C-O 3.49Å; G884-L893 WeakPolarHBondContact CA-O 3.33Å; L885-L893 HydrophobicContact CB-CB 4.41Å; L885-L893 PolarHBondContact N-O 3.14Å; L885-L893 PolarHBondContact O-N 3.07Å; T887-L893 HydrophobicContact CG2-CD1 3.62Å; T887-L893 VanDerWaalsContact CG2-CD1 3.46Å; T887-L893 HydrophobicContact CG2-CG 3.8Å; F891-L893 HydrophobicContact CE2-CD2 3.88Å; F891-L893 HydrophobicContact CE2-CG 4.14Å; F891-L893 HydrophobicContact CZ-CD2 4.49Å; L893-L944 HydrophobicContact CD2-CD2 4.03Å; L893-I949 HydrophobicContact CD2-CG1 4.15Å; L893-I952 HydrophobicContact CD1-CG2 4.46Å; L893-I952 HydrophobicContact CD2-CD1 4.17Å; L893-I952 HydrophobicContact CD2-CG1 4.37Å; L893-W953 WeakPolarHBondContact O-CZ2 3.39Å; L893-Y955 HydrophobicContact CD2-CD1 3.78Å; L893-Y955 HydrophobicContact CD2-CE1 4.1Å
894	C	91.2	Very high	88.7	Confident	14.75 Å²	14.75	40.9 Å²	40.9	10%	0.1	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.8	-176.6	-52.9	0	0	0	0	112.6	H883 C892 W898 C903 I949 W951 W953 Y955	H883-C894 CarbonylContact O-C 3.41Å; H883-C894 WeakPolarHBondContact O-CA 3.32Å; C892-C894 PolarHBondContact O-N 3.21Å; C894-W898 HydrophobicContact CB-CB 4.17Å; C894-W898 VanDerWaalsContact CB-O 3.25Å; C894-W898 WeakPolarHBondContact CB-O 3.33Å; C894-C903 WeakPolarHBondContact CA-SG 3.34Å; C894-C903 HydrophobicContact CB-CB 3.73Å; C894-C903 WeakPolarHBondContact CB-SG 3.43Å; C894-C903 WeakPolarHBondContact SG-CA 3.41Å; C894-C903 WeakPolarHBondContact SG-CB 3.26Å; C894-C903 CovalentContact SG-SG 2.04Å; C894-C903 PolarHBondContact SG-SG 3.06Å; C894-I949 WeakPolarHBondContact O-CG2 3.44Å; C894-W951 WeakPolarHBondContact O-CH2 3.33Å; C894-W951 WeakPolarHBondContact O-CZ2 3.38Å; C894-W953 PolarHBondContact O-NE1 3.07Å; C894-Y955 HydrophobicContact CB-CE2 4.18Å; C894-Y955 PolarHBondContact SG-OH 3.31Å; C894-Y955 VanDerWaalsContact SG-OH 3.35Å
895	H	89.8	Confident	88.6	Confident	67.75 Å²	67.75	44.8 Å²	44.8	31%	0.314	25%	0.248	S	C	.	.			trans	-63	158	168.7	-61.6	130.5	0	0	0	110.6	H883 E897 W898 W953	H883-H895 VanDerWaalsContact C-ND1 3.27Å; H883-H895 PolarHBondContact O-N 3.12Å; H883-H895 PolarHBondContact O-ND1 3.27Å; H895-E897 PolarHBondContact O-N 3.05Å; H895-W898 PolarHBondContact O-N 3.15Å; H895-W953 HydrophobicContact CB-CZ2 4.41Å; H895-W953 AromaticContact CD2-CH2 3.3Å; H895-W953 WeakPolarHBondContact CD2-CH2 3.31Å; H895-W953 AromaticContact CD2-CZ2 3.6Å; H895-W953 AromaticContact CD2-CZ3 3.64Å; H895-W953 AromaticContact CE1-CH2 3.88Å; H895-W953 AromaticContact CG-CH2 3.94Å; H895-W953 AromaticContact CG-CZ2 3.81Å; H895-W953 AromaticContact NE2-CH2 3.27Å; H895-W953 VanDerWaalsContact NE2-CH2 3.27Å; H895-W953 WeakPolarHBondContact NE2-CH2 3.45Å; H895-W953 AromaticContact NE2-CZ2 3.94Å; H895-W953 AromaticContact NE2-CZ3 3.73Å
896	P	82.1	Confident	88.4	Confident	63 Å²	63	45.4 Å²	45.4	41%	0.409	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.9	-169.1	-27.9	36.7	0	0	0	116.3	W898 L907 M941 W951 W953	P896-W898 VanDerWaalsContact C-N 3.3Å; P896-W898 PolarHBondContact O-N 3.17Å; P896-L907 WeakPolarHBondContact O-CD2 3.31Å; P896-M941 VanDerWaalsContact CD-CE 3.47Å; P896-M941 HydrophobicContact CG-CE 3.87Å; P896-W951 HydrophobicContact CB-CE3 4.3Å; P896-W951 HydrophobicContact CB-CH2 4.18Å; P896-W951 HydrophobicContact CB-CZ2 4.45Å; P896-W951 HydrophobicContact CB-CZ3 3.78Å; P896-W951 HydrophobicContact CG-CE3 4.01Å; P896-W951 HydrophobicContact CG-CH2 4.3Å; P896-W951 HydrophobicContact CG-CZ2 4.06Å; P896-W951 HydrophobicContact CG-CZ3 3.46Å; P896-W951 VanDerWaalsContact CG-CZ3 3.46Å; P896-W951 VanDerWaalsContact O-CH2 3.23Å; P896-W951 WeakPolarHBondContact O-CH2 3.44Å; P896-W953 HydrophobicContact CG-CB 4.36Å; P896-W953 HydrophobicContact CG-CG 4.36Å
897	E	85.9	Confident	87.8	Confident	139.5 Å²	139.5	48.7 Å²	48.7	65%	0.652	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.1	178.7	-57.6	-159	151.3	0	0	113.4	H895 P906 L907	H895-E897 PolarHBondContact O-N 3.05Å; E897-P906 CarbonylContact O-C 3.51Å; E897-P906 VanDerWaalsContact O-CA 3.32Å; E897-P906 WeakPolarHBondContact O-CA 3.41Å; E897-L907 PolarHBondContact O-N 3.05Å
898	W	87.8	Confident	86.9	Confident	72 Å²	72	54.3 Å²	54.3	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	150.9	-170.7	-65.6	89.2	0	0	0	113.4	H883 C894 H895 P896 C903 L905 P906	H883-W898 HydrophobicContact CB-CB 4.09Å; H883-W898 HydrophobicContact CB-CD2 3.76Å; H883-W898 HydrophobicContact CB-CE3 4.23Å; H883-W898 HydrophobicContact CB-CG 3.67Å; H883-W898 AromaticContact CD2-CE2 3.89Å; H883-W898 AromaticContact CD2-CZ2 3.98Å; H883-W898 AromaticContact CE1-CE2 3.86Å; H883-W898 AromaticContact CE1-CE3 3.94Å; H883-W898 AromaticContact CE1-CH2 3.24Å; H883-W898 WeakPolarHBondContact CE1-CH2 3.36Å; H883-W898 AromaticContact CE1-CZ2 3.44Å; H883-W898 VanDerWaalsContact CE1-CZ2 3.44Å; H883-W898 WeakPolarHBondContact CE1-CZ2 3.41Å; H883-W898 AromaticContact CE1-CZ3 3.51Å; H883-W898 VanDerWaalsContact CE1-CZ3 3.49Å; H883-W898 WeakPolarHBondContact CE1-CZ3 3.5Å; H883-W898 AromaticContact CG-CD2 3.61Å; H883-W898 AromaticContact CG-CE2 3.66Å; H883-W898 AromaticContact CG-CE3 3.91Å; H883-W898 AromaticContact CG-CG 3.97Å; H883-W898 AromaticContact ND1-CD2 3.48Å; H883-W898 AromaticContact ND1-CE2 3.64Å; H883-W898 AromaticContact ND1-CE3 3.29Å; H883-W898 VanDerWaalsContact ND1-CE3 3.29Å; H883-W898 AromaticContact ND1-CH2 3.52Å; H883-W898 WeakPolarHBondContact ND1-CH2 3.39Å; H883-W898 AromaticContact ND1-CZ2 3.67Å; H883-W898 AromaticContact ND1-CZ3 3.32Å; H883-W898 VanDerWaalsContact ND1-CZ3 3.32Å; H883-W898 WeakPolarHBondContact ND1-CZ3 3.43Å; H883-W898 AromaticContact NE2-CE2 3.98Å; H883-W898 AromaticContact NE2-CH2 3.92Å; H883-W898 AromaticContact NE2-CZ2 3.65Å; C894-W898 HydrophobicContact CB-CB 4.17Å; C894-W898 VanDerWaalsContact CB-O 3.25Å; C894-W898 WeakPolarHBondContact CB-O 3.33Å; H895-W898 PolarHBondContact O-N 3.15Å; P896-W898 VanDerWaalsContact C-N 3.3Å; P896-W898 PolarHBondContact O-N 3.17Å; W898-C903 HydrophobicContact CB-CB 4.35Å; W898-C903 VanDerWaalsContact CE3-O 3.28Å; W898-L905 CarbonylContact C-O 3.53Å; W898-L905 WeakPolarHBondContact CA-O 3.35Å; W898-L905 VanDerWaalsContact CE3-C 3.45Å; W898-P906 HydrophobicContact CE3-CB 4.47Å; W898-P906 HydrophobicContact CH2-CB 4.49Å; W898-P906 HydrophobicContact CZ3-CB 4.31Å
899	T	88	Confident	85.7	Confident	53 Å²	53	57.9 Å²	57.9	33%	0.325	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	-178.6	-177.6	-166.3	0	0	0	0	110.8	C903 E904 L905 L907	T899-C903 CarbonylContact O-C 3.52Å; T899-C903 VanDerWaalsContact O-C 3.27Å; T899-C903 VanDerWaalsContact O-CA 3.28Å; T899-C903 WeakPolarHBondContact O-CA 3.36Å; T899-E904 PolarHBondContact O-N 3.12Å; T899-L905 HydrophobicContact CG2-CB 3.92Å; T899-L905 PolarHBondContact N-O 2.99Å; T899-L905 WeakPolarHBondContact O-CB 3.49Å; T899-L905 PolarHBondContact O-N 3.29Å; T899-L907 HydrophobicContact CG2-CD1 4.24Å
900	G	85.6	Confident	83.9	Confident	18 Å²	18	60.1 Å²	60.1	19%	0.186	33%	0.332	C	S	.	.	S	Bend	trans	92.6	164.3	-166.5	0	0	0	0	0	112.2	A902 C903 E904	G900-A902 VanDerWaalsContact C-N 3.28Å; G900-A902 PolarHBondContact O-N 3.16Å; G900-C903 PolarHBondContact O-N 3.05Å; G900-C903 VanDerWaalsContact O-N 3.16Å; G900-E904 VanDerWaalsContact C-OE2 3.23Å; G900-E904 WeakPolarHBondContact CA-OE1 3.25Å; G900-E904 WeakPolarHBondContact CA-OE2 3.48Å
901	N	88.5	Confident	81.6	Confident	96.75 Å²	96.75	65.5 Å²	65.5	52%	0.517	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.6	-171	-73.2	-30.5	0	0	0	112.7	P860 E904	P860-N901 WeakPolarHBondContact CG-O 3.44Å; N901-E904 PolarHBondContact N-OE1 2.78Å; N901-E904 PolarHBondContact N-OE2 3.09Å
902	A	89.7	Confident	79.2	Confident	5 Å²	5	73.3 Å²	73.3	4%	0.041	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	23.9	174.9	0	0	0	0	0	111.4	P860 C880 S881 G900 E904	P860-A902 HydrophobicContact CB-CB 4.06Å; P860-A902 HydrophobicContact CG-CB 4Å; C880-A902 CarbonylContact C-O 3.56Å; C880-A902 VanDerWaalsContact CA-O 3.28Å; C880-A902 WeakPolarHBondContact CA-O 3.45Å; S881-A902 VanDerWaalsContact CB-O 3.26Å; S881-A902 WeakPolarHBondContact CB-O 3.38Å; S881-A902 PolarHBondContact N-O 2.93Å; S881-A902 VanDerWaalsContact N-O 3.15Å; S881-A902 PolarHBondContact OG-O 2.94Å; G900-A902 VanDerWaalsContact C-N 3.28Å; G900-A902 PolarHBondContact O-N 3.16Å; A902-E904 VanDerWaalsContact CA-OE2 3.26Å; A902-E904 WeakPolarHBondContact CA-OE2 3.32Å; A902-E904 WeakPolarHBondContact CB-OE2 3.26Å; A902-E904 PolarHBondContact N-OE2 2.85Å; A902-E904 PolarHBondContact O-N 3.2Å
903	C	91.7	Very high	76.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	43%	0.425	C	S	.	.	S	Bend	trans	56.9	31.9	-179.2	-46.3	0	0	0	0	114.2	H883 C892 C894 W898 T899 G900	H883-C903 HydrophobicContact CB-CB 3.85Å; H883-C903 WeakPolarHBondContact CB-O 3.34Å; H883-C903 PolarHBondContact ND1-O 3.01Å; H883-C903 WeakPolarHBondContact O-CB 3.33Å; C892-C903 VanDerWaalsContact CB-SG 3.57Å; C894-C903 WeakPolarHBondContact CA-SG 3.34Å; C894-C903 HydrophobicContact CB-CB 3.73Å; C894-C903 WeakPolarHBondContact CB-SG 3.43Å; C894-C903 WeakPolarHBondContact SG-CA 3.41Å; C894-C903 WeakPolarHBondContact SG-CB 3.26Å; C894-C903 CovalentContact SG-SG 2.04Å; C894-C903 PolarHBondContact SG-SG 3.06Å; W898-C903 HydrophobicContact CB-CB 4.35Å; W898-C903 VanDerWaalsContact CE3-O 3.28Å; T899-C903 CarbonylContact O-C 3.52Å; T899-C903 VanDerWaalsContact O-C 3.27Å; T899-C903 VanDerWaalsContact O-CA 3.28Å; T899-C903 WeakPolarHBondContact O-CA 3.36Å; G900-C903 PolarHBondContact O-N 3.05Å; G900-C903 VanDerWaalsContact O-N 3.16Å
904	E	88.6	Confident	73.8	Confident	71.75 Å²	71.75	84.1 Å²	84.1	34%	0.335	46%	0.459	S	S	.	.			trans	-83.1	-10.8	-174	70.6	-76.9	-174.5	0	0	114.5	T899 G900 N901 A902	T899-E904 PolarHBondContact O-N 3.12Å; G900-E904 VanDerWaalsContact C-OE2 3.23Å; G900-E904 WeakPolarHBondContact CA-OE1 3.25Å; G900-E904 WeakPolarHBondContact CA-OE2 3.48Å; N901-E904 PolarHBondContact N-OE1 2.78Å; N901-E904 PolarHBondContact N-OE2 3.09Å; A902-E904 VanDerWaalsContact CA-OE2 3.26Å; A902-E904 WeakPolarHBondContact CA-OE2 3.32Å; A902-E904 WeakPolarHBondContact CB-OE2 3.26Å; A902-E904 PolarHBondContact N-OE2 2.85Å; A902-E904 PolarHBondContact O-N 3.2Å
905	L	86.7	Confident	71	Confident	93.5 Å²	93.5	90.7 Å²	90.7	49%	0.49	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.2	-176.7	-56.6	177.9	0	0	0	111.5	W898 T899	W898-L905 CarbonylContact C-O 3.53Å; W898-L905 WeakPolarHBondContact CA-O 3.35Å; W898-L905 VanDerWaalsContact CE3-C 3.45Å; T899-L905 HydrophobicContact CG2-CB 3.92Å; T899-L905 PolarHBondContact N-O 2.99Å; T899-L905 WeakPolarHBondContact O-CB 3.49Å; T899-L905 PolarHBondContact O-N 3.29Å
906	P	84	Confident	68.5	Low	79.75 Å²	79.75	95.6 Å²	95.6	52%	0.518	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	143.2	169.3	30.5	-34	0	0	0	111.2	E897 W898 V908	E897-P906 CarbonylContact O-C 3.51Å; E897-P906 VanDerWaalsContact O-CA 3.32Å; E897-P906 WeakPolarHBondContact O-CA 3.41Å; W898-P906 HydrophobicContact CE3-CB 4.47Å; W898-P906 HydrophobicContact CH2-CB 4.49Å; W898-P906 HydrophobicContact CZ3-CB 4.31Å; P906-V908 PolarHBondContact O-N 2.91Å; P906-V908 VanDerWaalsContact O-N 3.13Å
907	L	79.4	Confident	66.2	Low	80 Å²	80	98 Å²	98	42%	0.419	53%	0.533	S	S	.	.			trans	-79.2	100.2	-178.8	-172.7	72.3	0	0	0	110.9	P896 E897 T899 I909 W951	P896-L907 WeakPolarHBondContact O-CD2 3.31Å; E897-L907 PolarHBondContact O-N 3.05Å; T899-L907 HydrophobicContact CG2-CD1 4.24Å; L907-I909 HydrophobicContact CD2-CG1 4.34Å; L907-I909 HydrophobicContact CG-CG1 4.28Å; L907-I909 PolarHBondContact O-N 3.13Å; L907-I909 VanDerWaalsContact O-N 3.13Å; L907-W951 HydrophobicContact CD2-CH2 4.02Å; L907-W951 HydrophobicContact CD2-CZ2 3.91Å
908	V	72.6	Confident	63.7	Low	117 Å²	117	98.1 Å²	98.1	71%	0.709	54%	0.538	S	S	*	.			trans	-76	93.6	177.9	-175.1	0	0	0	0	110.6	P906 T910	P906-V908 PolarHBondContact O-N 2.91Å; P906-V908 VanDerWaalsContact O-N 3.13Å; V908-T910 VanDerWaalsContact C-N 3.35Å; V908-T910 HydrophobicContact CG1-CG2 4.27Å; V908-T910 PolarHBondContact O-N 3.22Å
909	I	62.4	Low	61.2	Low	126.5 Å²	126.5	102.1 Å²	102.1	65%	0.649	57%	0.565	S	S	*	*			trans	-71.3	95	174.7	-55.5	177.1	0	0	0	109.6	L907 N911	L907-I909 HydrophobicContact CD2-CG1 4.34Å; L907-I909 HydrophobicContact CG-CG1 4.28Å; L907-I909 PolarHBondContact O-N 3.13Å; L907-I909 VanDerWaalsContact O-N 3.13Å; I909-N911 PolarHBondContact O-N 2.78Å
910	T	49.5	Very low	58.8	Low	104.75 Å²	104.75	108.3 Å²	108.3	64%	0.643	59%	0.59	S	S	*	*			trans	-77.8	105.3	172.2	52.1	0	0	0	0	110.3	V908 Q912	V908-T910 VanDerWaalsContact C-N 3.35Å; V908-T910 HydrophobicContact CG1-CG2 4.27Å; V908-T910 PolarHBondContact O-N 3.22Å; T910-Q912 VanDerWaalsContact C-N 3.31Å; T910-Q912 PolarHBondContact O-N 2.92Å
911	N	40.9	Very low	56.2	Low	133.75 Å²	133.75	114.9 Å²	114.9	72%	0.715	62%	0.621	S	S	*	*			trans	-66.3	84.7	176.9	-76.8	-23.9	0	0	0	112.2	I909 S913	I909-N911 PolarHBondContact O-N 2.78Å; N911-S913 VanDerWaalsContact C-N 3.29Å; N911-S913 PolarHBondContact O-N 3.4Å
912	Q	36.7	Very low	53.7	Low	184.5 Å²	184.5	117.6 Å²	117.6	86%	0.862	64%	0.636	S	S	*	*			trans	-101.3	53	169.8	-68.2	-163.7	-3.5	0	0	112.1	T910	T910-Q912 VanDerWaalsContact C-N 3.31Å; T910-Q912 PolarHBondContact O-N 2.92Å
913	S	35.7	Very low	51.1	Low	96.75 Å²	96.75	125.1 Å²	125.1	68%	0.677	67%	0.673	S	S	*	*			trans	-123.9	33	169.8	52.1	0	0	0	0	113	N911 N915	N911-S913 VanDerWaalsContact C-N 3.29Å; N911-S913 PolarHBondContact O-N 3.4Å; S913-N915 VanDerWaalsContact C-N 3.26Å; S913-N915 PolarHBondContact O-N 3.02Å
914	N	33.9	Very low	48.3	Very low	149 Å²	149	133.3 Å²	133.3	80%	0.797	72%	0.716	S	S	*	*			trans	-94.6	94.8	166	-80	-13.1	0	0	0	111
915	N	31.7	Very low	45.6	Very low	152.25 Å²	152.25	134.5 Å²	134.5	81%	0.814	73%	0.732	S	S	*	*			trans	167.5	66.5	155.5	-91.1	-15	0	0	0	114.3	S913	S913-N915 VanDerWaalsContact C-N 3.26Å; S913-N915 PolarHBondContact O-N 3.02Å
916	I	36.7	Very low	43	Very low	171 Å²	171	137.3 Å²	137.3	88%	0.877	75%	0.748	S	S	*	*			trans	-139.6	110.7	143.4	-76.9	164.6	0	0	0	107.3
917	T	35.2	Very low	40.5	Very low	114.25 Å²	114.25	138.7 Å²	138.7	70%	0.701	76%	0.76	S	S	*	*			trans	-99.6	138.1	179.8	48.6	0	0	0	0	111.3
918	N	32.9	Very low	38.3	Very low	141 Å²	141	140.1 Å²	140.1	75%	0.754	78%	0.776	S	S	*	*			trans	55.2	110.6	156.9	-53.8	-14.9	0	0	0	117.3
919	N	34.6	Very low	36.3	Very low	156 Å²	156	142.5 Å²	142.5	83%	0.834	78%	0.784	S	S	*	*				172.9	137.7	120.1	-87.7	-21	0	0	0	115.2
920	Q	37.6	Very low	34.7	Very low	183.5 Å²	183.5	142 Å²	142	86%	0.857	79%	0.792	S	S	*	*			trans	60.2	108.2	161.1	-76.9	172.1	-28.2	0	0	114.9	D922	Q920-D922 PolarHBondContact O-N 3.33Å
921	N	32	Very low	33.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	80%	0.796	S	S	*	*			trans	-61.8	135.8	149.6	-58.5	-28.9	0	0	0	110.7
922	D	34.5	Very low	33.2	Very low	155.25 Å²	155.25	142.7 Å²	142.7	83%	0.83	80%	0.798	S	S	*	*			trans	172.8	149.4	144.7	-94.3	-29.1	0	0	0	112	Q920	Q920-D922 PolarHBondContact O-N 3.33Å
923	I	36.3	Very low	32.9	Very low	162.25 Å²	162.25	140 Å²	140	83%	0.832	79%	0.794	S	S	*	*			trans	66.8	82.8	173.1	-45.8	178	0	0	0	113.8
924	L	31.7	Very low	32.4	Very low	170.5 Å²	170.5	140.8 Å²	140.8	89%	0.893	80%	0.8	S	S	*	*			trans	-120.6	112.4	159.7	-162.5	108.1	0	0	0	110.8
925	S	32.6	Very low	32.1	Very low	97.25 Å²	97.25	138.4 Å²	138.4	68%	0.68	79%	0.794	S	S	*	*			trans	179.7	126.8	171.4	58.7	0	0	0	0	111.8
926	N	31.8	Very low	32	Very low	153.75 Å²	153.75	140.1 Å²	140.1	82%	0.822	80%	0.797	S	S	*	*				-161.9	137.3	60.4	-87.9	-34.3	0	0	0	112
927	S	32.4	Very low	31.6	Very low	108.25 Å²	108.25	136.7 Å²	136.7	76%	0.757	79%	0.789	S	S	*	*			trans	-167	124.4	145.2	31.7	0	0	0	0	115	L929	S927-L929 PolarHBondContact O-N 3.06Å
928	S	32.4	Very low	31.3	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	79%	0.787	S	S	*	*			trans	121.5	87.1	151.9	55.7	0	0	0	0	116.2
929	L	30.2	Very low	31.3	Very low	167.75 Å²	167.75	135.6 Å²	135.6	88%	0.878	78%	0.782	S	S	*	*			trans	-113.3	69.9	169.7	-157.8	77.5	0	0	0	113.1	S927	S927-L929 PolarHBondContact O-N 3.06Å
930	S	29.1	Very low	31.3	Very low	114.5 Å²	114.5	133.5 Å²	133.5	80%	0.801	77%	0.769	S	S	*	*	S	Bend	trans	-169.9	49.7	174.3	54.9	0	0	0	0	116.8
931	S	29.1	Very low	31.2	Very low	104.5 Å²	104.5	130.2 Å²	130.2	73%	0.731	76%	0.755	S	S	*	*			trans	-144.2	45.1	168.2	60.4	0	0	0	0	115.1
932	I	30.2	Very low	31.7	Very low	148.5 Å²	148.5	127.6 Å²	127.6	76%	0.762	74%	0.741	S	S	*	*			trans	-104.8	63.9	164	-55.1	177.4	0	0	0	111.7	S934	I932-S934 PolarHBondContact O-N 3.06Å
933	V	29.7	Very low	32.2	Very low	129.25 Å²	129.25	123.8 Å²	123.8	78%	0.783	73%	0.725	S	S	*	*			trans	-108.3	121.4	154	178.9	0	0	0	0	110.7
934	S	26	Very low	33	Very low	113.25 Å²	113.25	120.3 Å²	120.3	79%	0.792	71%	0.708	S	S	*	*	S	Bend	trans	83.1	77.9	172.1	2.2	0	0	0	0	117.6	I932	I932-S934 PolarHBondContact O-N 3.06Å
935	S	28.3	Very low	34.1	Very low	97.75 Å²	97.75	114.7 Å²	114.7	68%	0.684	68%	0.682	S	S	*	*			trans	-171.3	113.2	158	57.3	0	0	0	0	114.6	S937	S935-S937 PolarHBondContact O-N 2.95Å; S935-S937 PolarHBondContact O-OG 3.16Å
936	Q	27.8	Very low	35.3	Very low	188.5 Å²	188.5	114.6 Å²	114.6	88%	0.881	68%	0.682	S	S	*	*			trans	-65.6	91.3	164.3	-66.5	176.9	-6.4	0	0	112.4	T938	Q936-T938 PolarHBondContact O-N 3.15Å; Q936-T938 VanDerWaalsContact O-N 3.07Å
937	S	29.1	Very low	36.6	Very low	99.25 Å²	99.25	113.5 Å²	113.5	69%	0.694	67%	0.672	S	S	*	*			trans	-102.5	92	169.8	49.7	0	0	0	0	111.4	S935 I939	S935-S937 PolarHBondContact O-N 2.95Å; S935-S937 PolarHBondContact O-OG 3.16Å; S937-I939 PolarHBondContact O-N 2.96Å; S937-I939 VanDerWaalsContact O-N 3.11Å
938	T	29.1	Very low	38.1	Very low	107 Å²	107	110.1 Å²	110.1	66%	0.656	65%	0.647	S	S	*	*			trans	-62.9	107.9	166.7	47.5	0	0	0	0	108.8	Q936 I940	Q936-T938 PolarHBondContact O-N 3.15Å; Q936-T938 VanDerWaalsContact O-N 3.07Å; T938-I940 VanDerWaalsContact C-N 3.34Å; T938-I940 PolarHBondContact O-N 3.22Å; T938-I940 VanDerWaalsContact O-N 3.08Å
939	I	32.9	Very low	39.5	Very low	126 Å²	126	106.9 Å²	106.9	65%	0.646	62%	0.62	S	S	*	*			trans	-69.5	102.2	-178.4	-56	176.8	0	0	0	108.6	S937 M941	S937-I939 PolarHBondContact O-N 2.96Å; S937-I939 VanDerWaalsContact O-N 3.11Å; I939-M941 VanDerWaalsContact C-N 3.27Å; I939-M941 HydrophobicContact CB-CE 4.08Å; I939-M941 HydrophobicContact CB-CG 4.1Å; I939-M941 HydrophobicContact CB-SD 4.29Å; I939-M941 HydrophobicContact CD1-CE 3.8Å; I939-M941 HydrophobicContact CG2-CE 3.99Å; I939-M941 HydrophobicContact CG2-CG 4.09Å; I939-M941 HydrophobicContact CG2-SD 4.04Å; I939-M941 VanDerWaalsContact CG2-SD 3.58Å; I939-M941 PolarHBondContact O-N 2.89Å
940	I	34	Very low	41	Very low	112.5 Å²	112.5	105 Å²	105	58%	0.577	61%	0.606	S	S	*	*			trans	-70.8	92.3	172.8	-54.9	176.2	0	0	0	107.4	L674 T938 N942	L674-I940 HydrophobicContact CB-CD1 4.22Å; L674-I940 HydrophobicContact CD1-CD1 3.66Å; L674-I940 HydrophobicContact CD1-CG1 4.04Å; T938-I940 VanDerWaalsContact C-N 3.34Å; T938-I940 PolarHBondContact O-N 3.22Å; T938-I940 VanDerWaalsContact O-N 3.08Å; I940-N942 HydrophobicContact CG2-CB 4.46Å; I940-N942 PolarHBondContact O-N 3.14Å
941	M	35.7	Very low	42.7	Very low	112.25 Å²	112.25	104.5 Å²	104.5	55%	0.553	59%	0.587	S	S	*	*			trans	-71.1	92	173.2	-76.4	-64.4	-171.3	0	0	110.3	P896 I939 P943 V948	P896-M941 VanDerWaalsContact CD-CE 3.47Å; P896-M941 HydrophobicContact CG-CE 3.87Å; I939-M941 VanDerWaalsContact C-N 3.27Å; I939-M941 HydrophobicContact CB-CE 4.08Å; I939-M941 HydrophobicContact CB-CG 4.1Å; I939-M941 HydrophobicContact CB-SD 4.29Å; I939-M941 HydrophobicContact CD1-CE 3.8Å; I939-M941 HydrophobicContact CG2-CE 3.99Å; I939-M941 HydrophobicContact CG2-CG 4.09Å; I939-M941 HydrophobicContact CG2-SD 4.04Å; I939-M941 VanDerWaalsContact CG2-SD 3.58Å; I939-M941 PolarHBondContact O-N 2.89Å; M941-P943 VanDerWaalsContact O-CD 3.26Å; M941-P943 WeakPolarHBondContact O-CD 3.39Å; M941-V948 HydrophobicContact SD-CG2 4.27Å
942	N	43	Very low	44.5	Very low	101.5 Å²	101.5	100.4 Å²	100.4	54%	0.543	56%	0.557	S	S	.	*			trans	-72.4	116.5	165.6	-108.2	-7.6	0	0	0	108.3	F891 C892 I940 L944	F891-N942 HydrophobicContact CD2-CB 4.43Å; F891-N942 WeakPolarHBondContact CD2-OD1 3.02Å; C892-N942 PolarHBondContact O-ND2 3.39Å; C892-N942 PolarHBondContact O-OD1 2.9Å; I940-N942 HydrophobicContact CG2-CB 4.46Å; I940-N942 PolarHBondContact O-N 3.14Å; N942-L944 PolarHBondContact O-N 2.96Å; N942-L944 VanDerWaalsContact O-N 3.14Å
943	P	46	Very low	46.4	Very low	75.5 Å²	75.5	94.8 Å²	94.8	49%	0.49	53%	0.526	S	S	.	.	S	Bend	trans	-77.4	47.9	-167.7	19	-17.9	0	0	0	113.5	F891 M941	F891-P943 HydrophobicContact CD1-CG 3.84Å; F891-P943 HydrophobicContact CE1-CG 3.53Å; F891-P943 HydrophobicContact CZ-CG 3.97Å; M941-P943 VanDerWaalsContact O-CD 3.26Å; M941-P943 WeakPolarHBondContact O-CD 3.39Å
944	L	52.3	Low	48.2	Very low	89.25 Å²	89.25	92.1 Å²	92.1	47%	0.467	51%	0.507	S	S	.	.			trans	-133.7	59.4	169.6	-121.9	70.2	0	0	0	114.3	L665 F891 L893 N942 V948 I949 I952	L665-L944 HydrophobicContact CD1-CD1 3.89Å; L665-L944 HydrophobicContact CD1-CD2 4.29Å; F891-L944 HydrophobicContact CZ-CD1 3.92Å; F891-L944 HydrophobicContact CZ-CD2 4.43Å; L893-L944 HydrophobicContact CD2-CD2 4.03Å; N942-L944 PolarHBondContact O-N 2.96Å; N942-L944 VanDerWaalsContact O-N 3.14Å; L944-V948 HydrophobicContact CB-CB 4.4Å; L944-V948 HydrophobicContact CD1-CB 4.33Å; L944-V948 HydrophobicContact CD1-CG1 3.84Å; L944-V948 HydrophobicContact CD2-CB 4.48Å; L944-V948 HydrophobicContact CD2-CG1 3.82Å; L944-V948 HydrophobicContact CG-CB 4.36Å; L944-V948 HydrophobicContact CG-CG1 3.96Å; L944-I949 HydrophobicContact CB-CG1 4.04Å; L944-I949 HydrophobicContact CD1-CG1 4.41Å; L944-I949 HydrophobicContact CD2-CD1 3.92Å; L944-I949 HydrophobicContact CD2-CG1 3.67Å; L944-I949 HydrophobicContact CG-CD1 4.37Å; L944-I949 HydrophobicContact CG-CG1 3.75Å; L944-I952 HydrophobicContact CD1-CD1 3.89Å; L944-I952 HydrophobicContact CD2-CD1 3.51Å
945	S	55.6	Low	50.1	Low	52 Å²	52	88.4 Å²	88.4	36%	0.364	48%	0.476	S	S	.	.			trans	-68.8	151.6	164.3	72.2	0	0	0	0	110.8	K637 E947 V948 I949	K637-S945 PolarHBondContact NZ-OG 3.47Å; S945-E947 PolarHBondContact O-N 3.16Å; S945-E947 VanDerWaalsContact O-N 3.11Å; S945-E947 PolarHBondContact OG-N 3.04Å; S945-V948 WeakPolarHBondContact O-CB 3.33Å; S945-V948 PolarHBondContact O-N 3.08Å; S945-V948 VanDerWaalsContact O-N 3.12Å; S945-V948 WeakPolarHBondContact OG-CG2 3.43Å; S945-I949 WeakPolarHBondContact O-CG1 3.42Å; S945-I949 PolarHBondContact O-N 3.04Å
946	S	57.1	Low	51.9	Low	95.5 Å²	95.5	85.2 Å²	85.2	67%	0.668	45%	0.451	S	S	*	.	H	α-helix	trans	-58.5	-24.9	179	60.5	0	0	0	0	114	V948 I949 H950	S946-V948 VanDerWaalsContact C-N 3.29Å; S946-V948 PolarHBondContact O-N 2.91Å; S946-I949 WeakPolarHBondContact O-CB 3.43Å; S946-I949 PolarHBondContact O-N 2.93Å; S946-H950 PolarHBondContact O-N 2.93Å
947	E	59.7	Low	53.9	Low	130.75 Å²	130.75	79.4 Å²	79.4	61%	0.611	42%	0.424	S	S	*	.	H	α-helix	trans	-71.3	-43.4	177.4	-64.4	164.6	-179.5	0	0	111.7	K637 S945 I949 H950 W951	K637-E947 VanDerWaalsContact CE-OE2 3.23Å; K637-E947 WeakPolarHBondContact CE-OE2 3.37Å; K637-E947 IonicContact NZ-OE1 2.78Å; K637-E947 PolarHBondContact NZ-OE1 3.43Å; K637-E947 IonicContact NZ-OE2 2.74Å; K637-E947 PolarHBondContact NZ-OE2 3.37Å; S945-E947 PolarHBondContact O-N 3.16Å; S945-E947 VanDerWaalsContact O-N 3.11Å; S945-E947 PolarHBondContact OG-N 3.04Å; E947-I949 VanDerWaalsContact C-N 3.25Å; E947-I949 PolarHBondContact O-N 2.99Å; E947-H950 WeakPolarHBondContact O-CB 3.38Å; E947-H950 PolarHBondContact O-N 3.12Å; E947-H950 VanDerWaalsContact O-N 3.1Å; E947-W951 HydrophobicContact CB-CH2 3.93Å; E947-W951 HydrophobicContact CB-CZ2 4Å; E947-W951 HydrophobicContact CB-CZ3 4.33Å; E947-W951 WeakPolarHBondContact O-CB 3.32Å; E947-W951 VanDerWaalsContact O-CD2 3.24Å; E947-W951 VanDerWaalsContact O-CG 3.3Å; E947-W951 PolarHBondContact O-N 3.05Å; E947-W951 VanDerWaalsContact O-N 3.14Å
948	V	62.9	Low	55.4	Low	37.5 Å²	37.5	79.5 Å²	79.5	23%	0.227	41%	0.413	C	S	.	.	H	α-helix	trans	-63.9	-36.8	176.1	177.5	0	0	0	0	110.8	F653 M941 L944 S945 S946 H950 W951 I952	F653-V948 HydrophobicContact CD2-CG1 4.05Å; M941-V948 HydrophobicContact SD-CG2 4.27Å; L944-V948 HydrophobicContact CB-CB 4.4Å; L944-V948 HydrophobicContact CD1-CB 4.33Å; L944-V948 HydrophobicContact CD1-CG1 3.84Å; L944-V948 HydrophobicContact CD2-CB 4.48Å; L944-V948 HydrophobicContact CD2-CG1 3.82Å; L944-V948 HydrophobicContact CG-CB 4.36Å; L944-V948 HydrophobicContact CG-CG1 3.96Å; S945-V948 WeakPolarHBondContact O-CB 3.33Å; S945-V948 PolarHBondContact O-N 3.08Å; S945-V948 VanDerWaalsContact O-N 3.12Å; S945-V948 WeakPolarHBondContact OG-CG2 3.43Å; S946-V948 VanDerWaalsContact C-N 3.29Å; S946-V948 PolarHBondContact O-N 2.91Å; V948-H950 VanDerWaalsContact C-N 3.3Å; V948-H950 PolarHBondContact O-N 2.78Å; V948-W951 HydrophobicContact CB-CE3 4.24Å; V948-W951 HydrophobicContact CG1-CE3 4.25Å; V948-W951 HydrophobicContact CG2-CE3 4.1Å; V948-W951 HydrophobicContact CG2-CZ3 4.05Å; V948-W951 PolarHBondContact O-N 3.1Å; V948-I952 HydrophobicContact CG1-CD1 4.04Å; V948-I952 HydrophobicContact CG1-CG1 4.39Å; V948-I952 WeakPolarHBondContact O-CB 3.03Å; V948-I952 VanDerWaalsContact O-CG1 3.32Å; V948-I952 WeakPolarHBondContact O-CG1 3.31Å; V948-I952 PolarHBondContact O-N 3.15Å
949	I	61.6	Low	56.7	Low	41 Å²	41	76.2 Å²	76.2	21%	0.21	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-44.5	172.9	-72	173.6	0	0	0	111.2	P651 F653 L893 C894 L944 S945 S946 E947 W951 I952 W953	P651-I949 HydrophobicContact CG-CG1 4.46Å; F653-I949 HydrophobicContact CD1-CG2 4.16Å; F653-I949 HydrophobicContact CE1-CB 4.16Å; F653-I949 HydrophobicContact CE1-CD1 4.12Å; F653-I949 HydrophobicContact CE1-CG1 4.12Å; F653-I949 HydrophobicContact CE1-CG2 3.51Å; F653-I949 VanDerWaalsContact CE1-CG2 3.42Å; F653-I949 HydrophobicContact CZ-CB 4.32Å; F653-I949 HydrophobicContact CZ-CG1 4.07Å; F653-I949 HydrophobicContact CZ-CG2 3.85Å; L893-I949 HydrophobicContact CD2-CG1 4.15Å; C894-I949 WeakPolarHBondContact O-CG2 3.44Å; L944-I949 HydrophobicContact CB-CG1 4.04Å; L944-I949 HydrophobicContact CD1-CG1 4.41Å; L944-I949 HydrophobicContact CD2-CD1 3.92Å; L944-I949 HydrophobicContact CD2-CG1 3.67Å; L944-I949 HydrophobicContact CG-CD1 4.37Å; L944-I949 HydrophobicContact CG-CG1 3.75Å; S945-I949 WeakPolarHBondContact O-CG1 3.42Å; S945-I949 PolarHBondContact O-N 3.04Å; S946-I949 WeakPolarHBondContact O-CB 3.43Å; S946-I949 PolarHBondContact O-N 2.93Å; E947-I949 VanDerWaalsContact C-N 3.25Å; E947-I949 PolarHBondContact O-N 2.99Å; I949-W951 VanDerWaalsContact C-N 3.33Å; I949-W951 PolarHBondContact O-N 3.26Å; I949-I952 PolarHBondContact O-N 3.07Å; I949-W953 WeakPolarHBondContact O-CB 3.38Å; I949-W953 PolarHBondContact O-N 3.11Å; I949-W953 VanDerWaalsContact O-N 3.13Å
950	H	62.2	Low	57.9	Low	128 Å²	128	76.2 Å²	76.2	59%	0.593	39%	0.388	S	S	*	.	H	α-helix	trans	-67.5	-37.5	178.1	-168.6	-66.4	0	0	0	112.2	S946 E947 V948 W953 D954	S946-H950 PolarHBondContact O-N 2.93Å; E947-H950 WeakPolarHBondContact O-CB 3.38Å; E947-H950 PolarHBondContact O-N 3.12Å; E947-H950 VanDerWaalsContact O-N 3.1Å; V948-H950 VanDerWaalsContact C-N 3.3Å; V948-H950 PolarHBondContact O-N 2.78Å; H950-W953 WeakPolarHBondContact O-CB 3.18Å; H950-W953 PolarHBondContact O-N 3.27Å; H950-D954 PolarHBondContact O-N 3.1Å
951	W	65.6	Low	58.8	Low	105.75 Å²	105.75	76.5 Å²	76.5	40%	0.401	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-42	177.2	-91.8	20.3	0	0	0	112.9	K637 F653 C894 P896 L907 E947 V948 I949 W953 D954 Y955	K637-W951 HydrophobicContact CD-CH2 4.23Å; K637-W951 HydrophobicContact CG-CH2 3.92Å; K637-W951 HydrophobicContact CG-CZ3 4.11Å; F653-W951 HydrophobicContact CB-CE3 4.16Å; F653-W951 HydrophobicContact CD1-CB 4.27Å; F653-W951 HydrophobicContact CD1-CE3 4.31Å; F653-W951 HydrophobicContact CD2-CB 4.2Å; F653-W951 HydrophobicContact CD2-CE3 4.5Å; F653-W951 HydrophobicContact CE1-CB 3.78Å; F653-W951 HydrophobicContact CE1-CG 4.47Å; F653-W951 HydrophobicContact CE2-CB 3.72Å; F653-W951 HydrophobicContact CG-CB 4.46Å; F653-W951 HydrophobicContact CG-CE3 4.08Å; F653-W951 HydrophobicContact CZ-CB 3.49Å; F653-W951 VanDerWaalsContact CZ-CB 3.49Å; C894-W951 WeakPolarHBondContact O-CH2 3.33Å; C894-W951 WeakPolarHBondContact O-CZ2 3.38Å; P896-W951 HydrophobicContact CB-CE3 4.3Å; P896-W951 HydrophobicContact CB-CH2 4.18Å; P896-W951 HydrophobicContact CB-CZ2 4.45Å; P896-W951 HydrophobicContact CB-CZ3 3.78Å; P896-W951 HydrophobicContact CG-CE3 4.01Å; P896-W951 HydrophobicContact CG-CH2 4.3Å; P896-W951 HydrophobicContact CG-CZ2 4.06Å; P896-W951 HydrophobicContact CG-CZ3 3.46Å; P896-W951 VanDerWaalsContact CG-CZ3 3.46Å; P896-W951 VanDerWaalsContact O-CH2 3.23Å; P896-W951 WeakPolarHBondContact O-CH2 3.44Å; L907-W951 HydrophobicContact CD2-CH2 4.02Å; L907-W951 HydrophobicContact CD2-CZ2 3.91Å; E947-W951 HydrophobicContact CB-CH2 3.93Å; E947-W951 HydrophobicContact CB-CZ2 4Å; E947-W951 HydrophobicContact CB-CZ3 4.33Å; E947-W951 WeakPolarHBondContact O-CB 3.32Å; E947-W951 VanDerWaalsContact O-CD2 3.24Å; E947-W951 VanDerWaalsContact O-CG 3.3Å; E947-W951 PolarHBondContact O-N 3.05Å; E947-W951 VanDerWaalsContact O-N 3.14Å; V948-W951 HydrophobicContact CB-CE3 4.24Å; V948-W951 HydrophobicContact CG1-CE3 4.25Å; V948-W951 HydrophobicContact CG2-CE3 4.1Å; V948-W951 HydrophobicContact CG2-CZ3 4.05Å; V948-W951 PolarHBondContact O-N 3.1Å; I949-W951 VanDerWaalsContact C-N 3.33Å; I949-W951 PolarHBondContact O-N 3.26Å; W951-W953 PolarHBondContact O-N 3.04Å; W951-D954 PolarHBondContact O-N 3.15Å; W951-Y955 WeakPolarHBondContact O-CB 3.42Å; W951-Y955 PolarHBondContact O-N 3.01Å
952	I	67	Low	59.2	Low	18 Å²	18	74.5 Å²	74.5	9%	0.092	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-40.9	172.3	-68.7	167.9	0	0	0	110.2	L650 P651 F653 L893 L944 V948 I949 Y955 L956	L650-I952 HydrophobicContact CD2-CG2 4.11Å; P651-I952 HydrophobicContact CG-CG1 4.43Å; F653-I952 HydrophobicContact CD2-CG1 4.44Å; F653-I952 HydrophobicContact CE2-CG1 3.83Å; F653-I952 HydrophobicContact CE2-CG2 4.39Å; L893-I952 HydrophobicContact CD1-CG2 4.46Å; L893-I952 HydrophobicContact CD2-CD1 4.17Å; L893-I952 HydrophobicContact CD2-CG1 4.37Å; L944-I952 HydrophobicContact CD1-CD1 3.89Å; L944-I952 HydrophobicContact CD2-CD1 3.51Å; V948-I952 HydrophobicContact CG1-CD1 4.04Å; V948-I952 HydrophobicContact CG1-CG1 4.39Å; V948-I952 WeakPolarHBondContact O-CB 3.03Å; V948-I952 VanDerWaalsContact O-CG1 3.32Å; V948-I952 WeakPolarHBondContact O-CG1 3.31Å; V948-I952 PolarHBondContact O-N 3.15Å; I949-I952 PolarHBondContact O-N 3.07Å; I952-Y955 PolarHBondContact O-N 2.89Å; I952-L956 HydrophobicContact CG2-CD1 3.84Å; I952-L956 HydrophobicContact CG2-CG 4.36Å; I952-L956 WeakPolarHBondContact O-CB 3.37Å; I952-L956 VanDerWaalsContact O-CG 3.27Å; I952-L956 WeakPolarHBondContact O-CG 3.34Å; I952-L956 PolarHBondContact O-N 3.16Å
953	W	68.9	Low	59.4	Low	30.5 Å²	30.5	75.9 Å²	75.9	12%	0.116	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-48.2	178.8	-99	113	0	0	0	114.3	K637 F653 L885 L893 C894 H895 P896 I949 H950 W951 Y955 L956 E957	K637-W953 VanDerWaalsContact CE-CE3 3.43Å; K637-W953 HydrophobicContact CG-CE3 4.39Å; K637-W953 HydrophobicContact CG-CZ3 4.4Å; F653-W953 HydrophobicContact CB-CZ2 3.55Å; F653-W953 AromaticContact CD1-CD1 3.99Å; F653-W953 AromaticContact CD1-NE1 3.59Å; F653-W953 AromaticContact CD2-CD1 3.84Å; F653-W953 AromaticContact CD2-CE2 3.58Å; F653-W953 AromaticContact CD2-CZ2 3.81Å; F653-W953 HydrophobicContact CD2-CZ2 3.81Å; F653-W953 AromaticContact CD2-NE1 2.92Å; F653-W953 AromaticContact CE1-NE1 3.89Å; F653-W953 AromaticContact CE2-CD1 3.77Å; F653-W953 AromaticContact CE2-NE1 3.49Å; F653-W953 AromaticContact CG-CD1 3.88Å; F653-W953 AromaticContact CG-CE2 3.8Å; F653-W953 HydrophobicContact CG-CZ2 4.04Å; F653-W953 AromaticContact CG-NE1 3Å; F653-W953 AromaticContact CZ-CD1 3.93Å; F653-W953 AromaticContact CZ-NE1 3.89Å; F653-W953 VanDerWaalsContact O-CZ2 3.31Å; F653-W953 WeakPolarHBondContact O-CZ2 3.37Å; L885-W953 HydrophobicContact CD1-CH2 3.57Å; L885-W953 HydrophobicContact CD1-CZ2 4.06Å; L885-W953 HydrophobicContact CD1-CZ3 4.02Å; L885-W953 HydrophobicContact CD2-CH2 4.43Å; L885-W953 HydrophobicContact CG-CH2 3.65Å; L885-W953 HydrophobicContact CG-CZ2 4.01Å; L893-W953 WeakPolarHBondContact O-CZ2 3.39Å; C894-W953 PolarHBondContact O-NE1 3.07Å; H895-W953 HydrophobicContact CB-CZ2 4.41Å; H895-W953 AromaticContact CD2-CH2 3.3Å; H895-W953 WeakPolarHBondContact CD2-CH2 3.31Å; H895-W953 AromaticContact CD2-CZ2 3.6Å; H895-W953 AromaticContact CD2-CZ3 3.64Å; H895-W953 AromaticContact CE1-CH2 3.88Å; H895-W953 AromaticContact CG-CH2 3.94Å; H895-W953 AromaticContact CG-CZ2 3.81Å; H895-W953 AromaticContact NE2-CH2 3.27Å; H895-W953 VanDerWaalsContact NE2-CH2 3.27Å; H895-W953 WeakPolarHBondContact NE2-CH2 3.45Å; H895-W953 AromaticContact NE2-CZ2 3.94Å; H895-W953 AromaticContact NE2-CZ3 3.73Å; P896-W953 HydrophobicContact CG-CB 4.36Å; P896-W953 HydrophobicContact CG-CG 4.36Å; I949-W953 WeakPolarHBondContact O-CB 3.38Å; I949-W953 PolarHBondContact O-N 3.11Å; I949-W953 VanDerWaalsContact O-N 3.13Å; H950-W953 WeakPolarHBondContact O-CB 3.18Å; H950-W953 PolarHBondContact O-N 3.27Å; W951-W953 PolarHBondContact O-N 3.04Å; W953-Y955 VanDerWaalsContact C-N 3.29Å; W953-Y955 PolarHBondContact O-N 3.27Å; W953-L956 HydrophobicContact CE3-CD1 4.16Å; W953-L956 HydrophobicContact CZ3-CD1 4.4Å; W953-L956 PolarHBondContact O-N 3.06Å; W953-E957 WeakPolarHBondContact O-CB 3.32Å; W953-E957 PolarHBondContact O-N 3.08Å
954	D	67.6	Low	59.1	Low	71.5 Å²	71.5	74.1 Å²	74.1	38%	0.382	38%	0.377	S	S	.	.	H	α-helix	trans	-63.6	-40.4	179.1	-172.7	55.9	0	0	0	110.8	H950 W951 L956 E957 Q958	H950-D954 PolarHBondContact O-N 3.1Å; W951-D954 PolarHBondContact O-N 3.15Å; D954-L956 PolarHBondContact O-N 2.94Å; D954-E957 PolarHBondContact O-N 3.09Å; D954-E957 VanDerWaalsContact O-N 3.15Å; D954-Q958 VanDerWaalsContact O-CG 3.3Å; D954-Q958 WeakPolarHBondContact O-CG 3.34Å; D954-Q958 PolarHBondContact O-N 2.9Å; D954-Q958 PolarHBondContact OD1-NE2 3.32Å; D954-Q958 PolarHBondContact OD2-NE2 3.08Å
955	Y	65.7	Low	58.4	Low	37.25 Å²	37.25	75.6 Å²	75.6	15%	0.146	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-47.9	174.2	-172.2	-87.8	0	0	0	112.7	A644 P651 F891 C892 L893 C894 W951 I952 W953 E957 Q958 M959	A644-Y955 HydrophobicContact CB-CE1 3.64Å; A644-Y955 PolarHBondContact O-OH 3.06Å; P651-Y955 HydrophobicContact CB-CD1 4.25Å; P651-Y955 HydrophobicContact CB-CD2 4.38Å; P651-Y955 HydrophobicContact CB-CE1 4.39Å; P651-Y955 HydrophobicContact CB-CG 4.25Å; P651-Y955 HydrophobicContact CG-CD1 3.54Å; P651-Y955 HydrophobicContact CG-CD2 4.23Å; P651-Y955 HydrophobicContact CG-CE1 4.08Å; P651-Y955 HydrophobicContact CG-CG 3.63Å; F891-Y955 HydrophobicContact CB-CE1 4.17Å; F891-Y955 AromaticContact CD2-CD1 3.98Å; F891-Y955 HydrophobicContact CD2-CD1 3.98Å; F891-Y955 AromaticContact CD2-CE1 3.62Å; F891-Y955 HydrophobicContact CD2-CE1 3.85Å; F891-Y955 HydrophobicContact CE2-CD1 4.02Å; F891-Y955 AromaticContact CE2-CE1 3.82Å; F891-Y955 HydrophobicContact CE2-CE1 4.16Å; F891-Y955 AromaticContact CG-CE1 3.88Å; F891-Y955 HydrophobicContact CG-CE1 3.88Å; C892-Y955 WeakPolarHBondContact O-CE1 3.21Å; C892-Y955 PolarHBondContact O-OH 3.09Å; L893-Y955 HydrophobicContact CD2-CD1 3.78Å; L893-Y955 HydrophobicContact CD2-CE1 4.1Å; C894-Y955 HydrophobicContact CB-CE2 4.18Å; C894-Y955 PolarHBondContact SG-OH 3.31Å; C894-Y955 VanDerWaalsContact SG-OH 3.35Å; W951-Y955 WeakPolarHBondContact O-CB 3.42Å; W951-Y955 PolarHBondContact O-N 3.01Å; I952-Y955 PolarHBondContact O-N 2.89Å; W953-Y955 VanDerWaalsContact C-N 3.29Å; W953-Y955 PolarHBondContact O-N 3.27Å; Y955-E957 VanDerWaalsContact C-N 3.3Å; Y955-E957 PolarHBondContact O-N 3.16Å; Y955-Q958 PolarHBondContact O-N 3.14Å; Y955-M959 HydrophobicContact CD1-CG 4.06Å; Y955-M959 HydrophobicContact CE1-CE 4.37Å; Y955-M959 HydrophobicContact CE1-CG 3.62Å; Y955-M959 VanDerWaalsContact CE1-CG 3.5Å; Y955-M959 HydrophobicContact CE1-SD 4.31Å; Y955-M959 WeakPolarHBondContact O-CB 3.27Å; Y955-M959 VanDerWaalsContact O-CG 3.31Å; Y955-M959 WeakPolarHBondContact O-CG 3.29Å; Y955-M959 PolarHBondContact O-N 3.25Å
956	L	67.3	Low	57.7	Low	29.5 Å²	29.5	75.4 Å²	75.4	15%	0.154	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-37.7	175.6	-74.4	172.4	0	0	0	112	L650 L665 L885 F891 I952 W953 D954 M959 Q960	L650-L956 HydrophobicContact CD2-CD1 4.15Å; L650-L956 HydrophobicContact CD2-CD2 4.1Å; L650-L956 HydrophobicContact CD2-CG 4.49Å; L665-L956 HydrophobicContact CD1-CD1 4.26Å; L665-L956 HydrophobicContact CD1-CD2 4.23Å; L885-L956 HydrophobicContact CD1-CD1 3.82Å; F891-L956 HydrophobicContact CE1-CD2 4.24Å; F891-L956 HydrophobicContact CE2-CD2 4.04Å; F891-L956 HydrophobicContact CZ-CD2 3.64Å; I952-L956 HydrophobicContact CG2-CD1 3.84Å; I952-L956 HydrophobicContact CG2-CG 4.36Å; I952-L956 WeakPolarHBondContact O-CB 3.37Å; I952-L956 VanDerWaalsContact O-CG 3.27Å; I952-L956 WeakPolarHBondContact O-CG 3.34Å; I952-L956 PolarHBondContact O-N 3.16Å; W953-L956 HydrophobicContact CE3-CD1 4.16Å; W953-L956 HydrophobicContact CZ3-CD1 4.4Å; W953-L956 PolarHBondContact O-N 3.06Å; D954-L956 PolarHBondContact O-N 2.94Å; L956-M959 PolarHBondContact O-N 3.18Å; L956-Q960 WeakPolarHBondContact O-CB 3.44Å; L956-Q960 WeakPolarHBondContact O-CG 3.34Å; L956-Q960 PolarHBondContact O-N 3.15Å
957	E	68	Low	56.7	Low	66.75 Å²	66.75	78.8 Å²	78.8	31%	0.312	38%	0.382	S	S	.	.	H	α-helix	trans	-68.2	-42.6	176	-165.9	172	-169.9	0	0	112.6	K637 W953 D954 Y955 M959 Q960 K961	K637-E957 WeakPolarHBondContact CE-OE2 3.29Å; K637-E957 VanDerWaalsContact NZ-CD 3.31Å; K637-E957 IonicContact NZ-OE1 3.33Å; K637-E957 PolarHBondContact NZ-OE1 3.48Å; K637-E957 VanDerWaalsContact NZ-OE1 3.17Å; K637-E957 IonicContact NZ-OE2 3.25Å; K637-E957 PolarHBondContact NZ-OE2 3.15Å; W953-E957 WeakPolarHBondContact O-CB 3.32Å; W953-E957 PolarHBondContact O-N 3.08Å; D954-E957 PolarHBondContact O-N 3.09Å; D954-E957 VanDerWaalsContact O-N 3.15Å; Y955-E957 VanDerWaalsContact C-N 3.3Å; Y955-E957 PolarHBondContact O-N 3.16Å; E957-M959 VanDerWaalsContact C-N 3.31Å; E957-M959 PolarHBondContact O-N 3.16Å; E957-Q960 PolarHBondContact O-N 3.25Å; E957-K961 VanDerWaalsContact CD-NZ 3.31Å; E957-K961 HydrophobicContact CG-CD 4.12Å; E957-K961 VanDerWaalsContact CG-CE 3.46Å; E957-K961 VanDerWaalsContact CG-NZ 3.34Å; E957-K961 WeakPolarHBondContact O-CB 3.45Å; E957-K961 VanDerWaalsContact O-CD 3.26Å; E957-K961 WeakPolarHBondContact O-CD 3.26Å; E957-K961 VanDerWaalsContact O-CG 3.31Å; E957-K961 WeakPolarHBondContact O-CG 3.37Å; E957-K961 PolarHBondContact O-N 2.99Å; E957-K961 WeakPolarHBondContact OE1-CE 3.38Å; E957-K961 IonicContact OE1-NZ 2.82Å; E957-K961 PolarHBondContact OE1-NZ 3.21Å; E957-K961 WeakPolarHBondContact OE2-CE 3.43Å; E957-K961 IonicContact OE2-NZ 2.61Å; E957-K961 PolarHBondContact OE2-NZ 3.42Å
958	Q	62.4	Low	55.7	Low	101 Å²	101	77.8 Å²	77.8	47%	0.472	38%	0.38	S	S	.	.	H	α-helix	trans	-60.2	-43.2	173.8	-70.6	-178.1	41.2	0	0	111.1	D954 Y955 Q960 K961 S962	D954-Q958 VanDerWaalsContact O-CG 3.3Å; D954-Q958 WeakPolarHBondContact O-CG 3.34Å; D954-Q958 PolarHBondContact O-N 2.9Å; D954-Q958 PolarHBondContact OD1-NE2 3.32Å; D954-Q958 PolarHBondContact OD2-NE2 3.08Å; Y955-Q958 PolarHBondContact O-N 3.14Å; Q958-Q960 PolarHBondContact O-N 3.39Å; Q958-K961 PolarHBondContact O-N 2.98Å; Q958-S962 WeakPolarHBondContact O-CB 3.31Å; Q958-S962 PolarHBondContact O-N 3.07Å
959	M	55.1	Low	54.4	Low	37.5 Å²	37.5	81.3 Å²	81.3	19%	0.185	39%	0.393	C	S	.	.	H	α-helix	trans	-63.9	-42.8	175.8	-71.9	-68	-95.8	0	0	112.6	F891 Y955 L956 E957 K961 S962 Y963	F891-M959 HydrophobicContact CB-CE 3.67Å; F891-M959 HydrophobicContact CD1-CE 4.32Å; F891-M959 HydrophobicContact CD2-CE 4.07Å; F891-M959 HydrophobicContact CG-CE 4.23Å; Y955-M959 HydrophobicContact CD1-CG 4.06Å; Y955-M959 HydrophobicContact CE1-CE 4.37Å; Y955-M959 HydrophobicContact CE1-CG 3.62Å; Y955-M959 VanDerWaalsContact CE1-CG 3.5Å; Y955-M959 HydrophobicContact CE1-SD 4.31Å; Y955-M959 WeakPolarHBondContact O-CB 3.27Å; Y955-M959 VanDerWaalsContact O-CG 3.31Å; Y955-M959 WeakPolarHBondContact O-CG 3.29Å; Y955-M959 PolarHBondContact O-N 3.25Å; L956-M959 PolarHBondContact O-N 3.18Å; E957-M959 VanDerWaalsContact C-N 3.31Å; E957-M959 PolarHBondContact O-N 3.16Å; M959-K961 VanDerWaalsContact C-N 3.32Å; M959-K961 PolarHBondContact O-N 3.21Å; M959-S962 WeakPolarHBondContact O-CB 3.38Å; M959-S962 PolarHBondContact O-N 3.04Å; M959-S962 VanDerWaalsContact O-N 3.09Å; M959-Y963 VanDerWaalsContact O-CD2 3.3Å; M959-Y963 WeakPolarHBondContact O-CD2 3.19Å; M959-Y963 PolarHBondContact O-N 3.34Å; M959-Y963 VanDerWaalsContact O-N 3.13Å
960	Q	57.5	Low	53.4	Low	127.5 Å²	127.5	84.6 Å²	84.6	60%	0.596	41%	0.407	S	S	*	.	H	α-helix	trans	-63.6	-38.7	174.4	-96.3	-172.1	-39	0	0	112.6	L956 E957 Q958 S962 Y963 G964	L956-Q960 WeakPolarHBondContact O-CB 3.44Å; L956-Q960 WeakPolarHBondContact O-CG 3.34Å; L956-Q960 PolarHBondContact O-N 3.15Å; E957-Q960 PolarHBondContact O-N 3.25Å; Q958-Q960 PolarHBondContact O-N 3.39Å; Q960-S962 VanDerWaalsContact C-N 3.34Å; Q960-S962 PolarHBondContact O-N 3.43Å; Q960-Y963 PolarHBondContact O-N 2.67Å; Q960-G964 PolarHBondContact O-N 2.99Å
961	K	54.7	Low	52.3	Low	117.5 Å²	117.5	84.4 Å²	84.4	51%	0.511	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-40.9	174.6	-72.2	163.9	-174.6	165.9	0	111.6	E957 Q958 M959 G964 N965	E957-K961 VanDerWaalsContact CD-NZ 3.31Å; E957-K961 HydrophobicContact CG-CD 4.12Å; E957-K961 VanDerWaalsContact CG-CE 3.46Å; E957-K961 VanDerWaalsContact CG-NZ 3.34Å; E957-K961 WeakPolarHBondContact O-CB 3.45Å; E957-K961 VanDerWaalsContact O-CD 3.26Å; E957-K961 WeakPolarHBondContact O-CD 3.26Å; E957-K961 VanDerWaalsContact O-CG 3.31Å; E957-K961 WeakPolarHBondContact O-CG 3.37Å; E957-K961 PolarHBondContact O-N 2.99Å; E957-K961 WeakPolarHBondContact OE1-CE 3.38Å; E957-K961 IonicContact OE1-NZ 2.82Å; E957-K961 PolarHBondContact OE1-NZ 3.21Å; E957-K961 WeakPolarHBondContact OE2-CE 3.43Å; E957-K961 IonicContact OE2-NZ 2.61Å; E957-K961 PolarHBondContact OE2-NZ 3.42Å; Q958-K961 PolarHBondContact O-N 2.98Å; M959-K961 VanDerWaalsContact C-N 3.32Å; M959-K961 PolarHBondContact O-N 3.21Å; K961-G964 PolarHBondContact O-N 3.38Å; K961-N965 WeakPolarHBondContact O-CB 3.37Å; K961-N965 PolarHBondContact O-N 3.22Å
962	S	44	Very low	50.9	Low	70.25 Å²	70.25	87 Å²	87	49%	0.491	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-49.4	175.1	-171.9	0	0	0	0	112.1	Q958 M959 Q960 G964 N965 S966	Q958-S962 WeakPolarHBondContact O-CB 3.31Å; Q958-S962 PolarHBondContact O-N 3.07Å; M959-S962 WeakPolarHBondContact O-CB 3.38Å; M959-S962 PolarHBondContact O-N 3.04Å; M959-S962 VanDerWaalsContact O-N 3.09Å; Q960-S962 VanDerWaalsContact C-N 3.34Å; Q960-S962 PolarHBondContact O-N 3.43Å; S962-G964 VanDerWaalsContact C-N 3.32Å; S962-G964 PolarHBondContact O-N 3.28Å; S962-N965 PolarHBondContact O-N 3.16Å; S962-S966 WeakPolarHBondContact O-CB 3.36Å; S962-S966 PolarHBondContact O-N 3.06Å
963	Y	46.3	Very low	49.4	Very low	131.75 Å²	131.75	94.5 Å²	94.5	52%	0.517	45%	0.451	S	S	.	.	H	α-helix	trans	-66.5	-32.1	176.6	-91.8	-94.1	0	0	0	113.5	Q647 Q676 M959 Q960 S966 R967	Q647-Y963 HydrophobicContact CG-CE1 4.04Å; Q647-Y963 HydrophobicContact CG-CE2 4.45Å; Q676-Y963 HydrophobicContact CG-CD1 3.55Å; Q676-Y963 HydrophobicContact CG-CE1 3.43Å; Q676-Y963 VanDerWaalsContact CG-CE1 3.43Å; Q676-Y963 VanDerWaalsContact NE2-CZ 3.27Å; M959-Y963 VanDerWaalsContact O-CD2 3.3Å; M959-Y963 WeakPolarHBondContact O-CD2 3.19Å; M959-Y963 PolarHBondContact O-N 3.34Å; M959-Y963 VanDerWaalsContact O-N 3.13Å; Q960-Y963 PolarHBondContact O-N 2.67Å; Y963-S966 VanDerWaalsContact O-CB 3.27Å; Y963-S966 WeakPolarHBondContact O-CB 3.24Å; Y963-S966 PolarHBondContact O-N 2.91Å; Y963-S966 VanDerWaalsContact O-N 3.15Å; Y963-R967 PolarHBondContact O-N 3.4Å
964	G	39.2	Very low	48	Very low	38.25 Å²	38.25	101.5 Å²	101.5	39%	0.394	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.2	0	0	0	0	0	113	Q960 K961 S962 S966 R967 N968	Q960-G964 PolarHBondContact O-N 2.99Å; K961-G964 PolarHBondContact O-N 3.38Å; S962-G964 VanDerWaalsContact C-N 3.32Å; S962-G964 PolarHBondContact O-N 3.28Å; G964-S966 VanDerWaalsContact C-N 3.33Å; G964-S966 PolarHBondContact O-N 3.13Å; G964-R967 WeakPolarHBondContact O-CB 3.04Å; G964-R967 PolarHBondContact O-N 3.25Å; G964-N968 PolarHBondContact O-N 3.07Å; G964-N968 PolarHBondContact O-ND2 2.81Å
965	N	39	Very low	46.5	Very low	119 Å²	119	102.6 Å²	102.6	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-66.4	-33.1	176	-91.5	-20.4	0	0	0	112.8	K961 S962 R967 N968 F969	K961-N965 WeakPolarHBondContact O-CB 3.37Å; K961-N965 PolarHBondContact O-N 3.22Å; S962-N965 PolarHBondContact O-N 3.16Å; N965-R967 VanDerWaalsContact C-N 3.27Å; N965-R967 PolarHBondContact O-N 3.1Å; N965-R967 VanDerWaalsContact O-N 3.1Å; N965-N968 CarbonylContact O-C 3.25Å; N965-N968 WeakPolarHBondContact O-CA 3.33Å; N965-N968 PolarHBondContact O-N 2.86Å; N965-N968 VanDerWaalsContact O-N 3.16Å; N965-F969 WeakPolarHBondContact O-CB 3.44Å; N965-F969 PolarHBondContact O-N 2.97Å; N965-F969 VanDerWaalsContact O-N 3.11Å
966	S	39.5	Very low	45.1	Very low	49 Å²	49	108.5 Å²	108.5	34%	0.343	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-34.6	178.6	-165.6	0	0	0	0	113	S962 Y963 G964 N968 F969 Q970	S962-S966 WeakPolarHBondContact O-CB 3.36Å; S962-S966 PolarHBondContact O-N 3.06Å; Y963-S966 VanDerWaalsContact O-CB 3.27Å; Y963-S966 WeakPolarHBondContact O-CB 3.24Å; Y963-S966 PolarHBondContact O-N 2.91Å; Y963-S966 VanDerWaalsContact O-N 3.15Å; G964-S966 VanDerWaalsContact C-N 3.33Å; G964-S966 PolarHBondContact O-N 3.13Å; S966-N968 VanDerWaalsContact C-N 3.34Å; S966-N968 PolarHBondContact O-N 3.11Å; S966-F969 WeakPolarHBondContact O-CB 3.46Å; S966-F969 PolarHBondContact O-N 3.23Å; S966-Q970 WeakPolarHBondContact O-CB 3.49Å; S966-Q970 VanDerWaalsContact O-CG 3.32Å; S966-Q970 WeakPolarHBondContact O-CG 3.38Å; S966-Q970 PolarHBondContact O-N 2.9Å
967	R	37.1	Very low	43.6	Very low	166.5 Å²	166.5	113.8 Å²	113.8	63%	0.628	55%	0.553	S	S	*	*	H	α-helix	trans	-65.9	-37.4	174.6	-71	-177.5	176.1	177.3	-0	112.9	I675 Y963 G964 N965 F969 Q970 L971	I675-R967 PolarHBondContact O-NH2 3.35Å; Y963-R967 PolarHBondContact O-N 3.4Å; G964-R967 WeakPolarHBondContact O-CB 3.04Å; G964-R967 PolarHBondContact O-N 3.25Å; N965-R967 VanDerWaalsContact C-N 3.27Å; N965-R967 PolarHBondContact O-N 3.1Å; N965-R967 VanDerWaalsContact O-N 3.1Å; R967-F969 VanDerWaalsContact C-N 3.29Å; R967-F969 PolarHBondContact O-N 2.68Å; R967-Q970 PolarHBondContact O-N 2.93Å; R967-L971 WeakPolarHBondContact O-CB 3.39Å; R967-L971 PolarHBondContact O-N 3.02Å; R967-L971 VanDerWaalsContact O-N 3.1Å
968	N	38.3	Very low	42.1	Very low	108.75 Å²	108.75	118 Å²	118	58%	0.582	58%	0.578	S	S	*	*	H	α-helix	trans	-75.1	-27.3	174.5	-78.2	-35.6	0	0	0	113.1	G964 N965 S966 L971 K972	G964-N968 PolarHBondContact O-N 3.07Å; G964-N968 PolarHBondContact O-ND2 2.81Å; N965-N968 CarbonylContact O-C 3.25Å; N965-N968 WeakPolarHBondContact O-CA 3.33Å; N965-N968 PolarHBondContact O-N 2.86Å; N965-N968 VanDerWaalsContact O-N 3.16Å; S966-N968 VanDerWaalsContact C-N 3.34Å; S966-N968 PolarHBondContact O-N 3.11Å; N968-L971 CarbonylContact O-C 3.52Å; N968-L971 PolarHBondContact O-N 3Å; N968-K972 WeakPolarHBondContact O-CB 3.42Å; N968-K972 WeakPolarHBondContact O-CG 3.5Å; N968-K972 PolarHBondContact O-N 3.05Å
969	F	35.6	Very low	41	Very low	111.25 Å²	111.25	119.4 Å²	119.4	49%	0.488	59%	0.588	S	S	.	*	H	α-helix	trans	-77.2	-34	179.1	-170.1	-113.4	0	0	0	112.6	N965 S966 R967 L971 K972 R973	N965-F969 WeakPolarHBondContact O-CB 3.44Å; N965-F969 PolarHBondContact O-N 2.97Å; N965-F969 VanDerWaalsContact O-N 3.11Å; S966-F969 WeakPolarHBondContact O-CB 3.46Å; S966-F969 PolarHBondContact O-N 3.23Å; R967-F969 VanDerWaalsContact C-N 3.29Å; R967-F969 PolarHBondContact O-N 2.68Å; F969-L971 VanDerWaalsContact C-N 3.26Å; F969-K972 PolarHBondContact O-N 3.21Å; F969-R973 HydrophobicContact CD1-CG 4.47Å; F969-R973 HydrophobicContact CD2-CG 4.37Å; F969-R973 HydrophobicContact CE1-CG 4.16Å; F969-R973 VanDerWaalsContact CE1-CZ 3.48Å; F969-R973 HydrophobicContact CE2-CG 4.04Å; F969-R973 HydrophobicContact CZ-CG 3.95Å; F969-R973 VanDerWaalsContact CZ-NE 3.29Å; F969-R973 VanDerWaalsContact O-CB 3.3Å; F969-R973 WeakPolarHBondContact O-CB 3.1Å; F969-R973 PolarHBondContact O-N 3.19Å
970	Q	40.3	Very low	40.2	Very low	110.5 Å²	110.5	123.9 Å²	123.9	52%	0.516	61%	0.613	S	S	.	*	H	α-helix	trans	-68.4	-38.6	170.6	-67.7	-111.4	-5.6	0	0	112	S966 R967 K972 R973 F974	S966-Q970 WeakPolarHBondContact O-CB 3.49Å; S966-Q970 VanDerWaalsContact O-CG 3.32Å; S966-Q970 WeakPolarHBondContact O-CG 3.38Å; S966-Q970 PolarHBondContact O-N 2.9Å; R967-Q970 PolarHBondContact O-N 2.93Å; Q970-K972 VanDerWaalsContact C-N 3.3Å; Q970-K972 PolarHBondContact O-N 3.09Å; Q970-R973 PolarHBondContact O-N 3.22Å; Q970-R973 VanDerWaalsContact O-N 3.13Å; Q970-F974 WeakPolarHBondContact O-CD2 3.08Å; Q970-F974 PolarHBondContact O-N 2.98Å
971	L	39	Very low	39.3	Very low	123.75 Å²	123.75	125.5 Å²	125.5	65%	0.648	63%	0.626	S	S	*	*	H	α-helix	trans	-68.6	-31.1	175.7	-123.2	73.1	0	0	0	113.1	L681 R967 N968 F969 R973 F974 S975	L681-L971 HydrophobicContact CD1-CD1 4.36Å; R967-L971 WeakPolarHBondContact O-CB 3.39Å; R967-L971 PolarHBondContact O-N 3.02Å; R967-L971 VanDerWaalsContact O-N 3.1Å; N968-L971 CarbonylContact O-C 3.52Å; N968-L971 PolarHBondContact O-N 3Å; F969-L971 VanDerWaalsContact C-N 3.26Å; L971-R973 PolarHBondContact O-N 3.5Å; L971-F974 PolarHBondContact O-N 2.84Å; L971-S975 PolarHBondContact O-N 2.74Å; L971-S975 VanDerWaalsContact O-N 3.1Å
972	K	35.6	Very low	38.3	Very low	160.25 Å²	160.25	123.5 Å²	123.5	70%	0.697	64%	0.639	S	S	*	*	H	α-helix	trans	-81.3	-22.4	176.6	-95.6	-175.4	174.3	-178.2	0	114.6	N968 F969 Q970 F974 S975 H976	N968-K972 WeakPolarHBondContact O-CB 3.42Å; N968-K972 WeakPolarHBondContact O-CG 3.5Å; N968-K972 PolarHBondContact O-N 3.05Å; F969-K972 PolarHBondContact O-N 3.21Å; Q970-K972 VanDerWaalsContact C-N 3.3Å; Q970-K972 PolarHBondContact O-N 3.09Å; K972-F974 VanDerWaalsContact C-N 3.33Å; K972-F974 PolarHBondContact O-N 2.72Å; K972-S975 CarbonylContact O-C 3.59Å; K972-S975 WeakPolarHBondContact O-CA 3.33Å; K972-S975 WeakPolarHBondContact O-CB 3.33Å; K972-S975 PolarHBondContact O-N 2.81Å; K972-H976 PolarHBondContact O-N 2.82Å
973	R	37.4	Very low	38.1	Very low	176.5 Å²	176.5	129 Å²	129	67%	0.666	66%	0.657	S	S	*	*	H	α-helix	trans	-74.9	-24.1	178.9	-102.9	-177.6	174.5	171.1	1.1	113.9	F969 Q970 L971 S975	F969-R973 HydrophobicContact CD1-CG 4.47Å; F969-R973 HydrophobicContact CD2-CG 4.37Å; F969-R973 HydrophobicContact CE1-CG 4.16Å; F969-R973 VanDerWaalsContact CE1-CZ 3.48Å; F969-R973 HydrophobicContact CE2-CG 4.04Å; F969-R973 HydrophobicContact CZ-CG 3.95Å; F969-R973 VanDerWaalsContact CZ-NE 3.29Å; F969-R973 VanDerWaalsContact O-CB 3.3Å; F969-R973 WeakPolarHBondContact O-CB 3.1Å; F969-R973 PolarHBondContact O-N 3.19Å; Q970-R973 PolarHBondContact O-N 3.22Å; Q970-R973 VanDerWaalsContact O-N 3.13Å; L971-R973 PolarHBondContact O-N 3.5Å; R973-S975 VanDerWaalsContact C-N 3.26Å; R973-S975 PolarHBondContact O-N 3.3Å
974	F	38.7	Very low	37.7	Very low	178 Å²	178	129.3 Å²	129.3	78%	0.781	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-2.4	173.3	-75.7	-75.7	0	0	0	114	L682 Q970 L971 K972 H976	L682-F974 HydrophobicContact CD2-CZ 3.8Å; L682-F974 HydrophobicContact CG-CE2 4.43Å; L682-F974 HydrophobicContact CG-CZ 4.1Å; Q970-F974 WeakPolarHBondContact O-CD2 3.08Å; Q970-F974 PolarHBondContact O-N 2.98Å; L971-F974 PolarHBondContact O-N 2.84Å; K972-F974 VanDerWaalsContact C-N 3.33Å; K972-F974 PolarHBondContact O-N 2.72Å; F974-H976 PolarHBondContact O-N 2.78Å; F974-H976 VanDerWaalsContact O-N 3.16Å
975	S	36.7	Very low	37.6	Very low	94 Å²	94	137.8 Å²	137.8	66%	0.657	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	16	-178.1	-170.1	0	0	0	0	114.1	L971 K972 R973	L971-S975 PolarHBondContact O-N 2.74Å; L971-S975 VanDerWaalsContact O-N 3.1Å; K972-S975 CarbonylContact O-C 3.59Å; K972-S975 WeakPolarHBondContact O-CA 3.33Å; K972-S975 WeakPolarHBondContact O-CB 3.33Å; K972-S975 PolarHBondContact O-N 2.81Å; R973-S975 VanDerWaalsContact C-N 3.26Å; R973-S975 PolarHBondContact O-N 3.3Å
976	H	35.4	Very low	37.7	Very low	161 Å²	161	141.8 Å²	141.8	75%	0.745	70%	0.701	S	S	*	*	S	Bend	trans	-135.4	66.9	176.2	-124.2	-70.4	0	0	0	113.8	K972 F974	K972-H976 PolarHBondContact O-N 2.82Å; F974-H976 PolarHBondContact O-N 2.78Å; F974-H976 VanDerWaalsContact O-N 3.16Å
977	N	36.1	Very low	38	Very low	141.75 Å²	141.75	143.5 Å²	143.5	76%	0.758	72%	0.718	S	S	*	*	S	Bend	trans	178.8	74.4	166.3	-105.8	8.3	0	0	0	113.6
978	N	36.4	Very low	38.7	Very low	153.5 Å²	153.5	140.8 Å²	140.8	82%	0.821	72%	0.722	S	S	*	*			trans	-130.7	144.5	145.6	-84.7	-24.4	0	0	0	110.2	N980	N978-N980 PolarHBondContact O-N 3.47Å
979	N	38.4	Very low	39.5	Very low	130.25 Å²	130.25	142.1 Å²	142.1	70%	0.697	73%	0.728	S	S	*	*			trans	55.4	103.8	170.9	-62.4	-2.9	0	0	0	113.4	N981	N979-N981 PolarHBondContact O-N 3.36Å
980	N	39.2	Very low	41.2	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	73%	0.732	S	S	*	*				-154.9	119.7	117	-67.7	-30.7	0	0	0	114.3	N978	N978-N980 PolarHBondContact O-N 3.47Å
981	N	39.1	Very low	42.9	Very low	161.25 Å²	161.25	141.7 Å²	141.7	86%	0.862	74%	0.739	S	S	*	*			trans	67.3	133.8	143.4	-57.8	-17.8	0	0	0	115.4	N979	N979-N981 PolarHBondContact O-N 3.36Å
982	G	33.9	Very low	44.9	Very low	76 Å²	76	142 Å²	142	78%	0.784	74%	0.74	S	S	*	*			trans	-165.4	119	-165.2	0	0	0	0	0	113.2	N984	G982-N984 PolarHBondContact O-N 3.34Å
983	E	37.8	Very low	47.1	Very low	185.75 Å²	185.75	141.6 Å²	141.6	87%	0.868	74%	0.736	S	S	*	*			trans	-103.6	137	140.5	-70.6	-178.7	132.5	0	0	113.1
984	N	38.1	Very low	49	Very low	136.75 Å²	136.75	137.9 Å²	137.9	73%	0.731	73%	0.728	S	S	*	*			trans	-43	121.8	153.7	-78.9	-64	0	0	0	116.8	G982	G982-N984 PolarHBondContact O-N 3.34Å
985	Y	38.7	Very low	51.4	Low	217.75 Å²	217.75	133.6 Å²	133.6	85%	0.854	72%	0.717	S	S	*	*			trans	-130.4	109.7	140	-84.3	-76.3	0	0	0	112.9	A987	Y985-A987 PolarHBondContact O-N 3.24Å
986	K	39.4	Very low	53.8	Low	201.25 Å²	201.25	132.5 Å²	132.5	88%	0.875	71%	0.708	S	S	*	*			trans	-83	103.3	162.8	-70.2	-179	-179.5	174.5	0	110.6
987	A	47.1	Very low	56.3	Low	86.5 Å²	86.5	129.5 Å²	129.5	72%	0.715	70%	0.697	S	S	*	*			trans	-66.9	142.4	175	0	0	0	0	0	110.8	Y985 L989	Y985-A987 PolarHBondContact O-N 3.24Å; A987-L989 PolarHBondContact O-N 3.38Å
988	P	50.7	Low	58.8	Low	109.5 Å²	109.5	127.5 Å²	127.5	71%	0.711	69%	0.685	S	S	*	*			trans	-66.1	136.3	174.6	28.3	-34.3	0	0	0	110.5	N990	P988-N990 PolarHBondContact O-N 2.89Å; P988-N990 VanDerWaalsContact O-N 3.11Å
989	L	56.1	Low	61.5	Low	135 Å²	135	122.3 Å²	122.3	71%	0.707	67%	0.668	S	S	*	*			trans	-67.9	98.6	170.1	-106.5	142.8	0	0	0	108.7	A987 T991 Y993	A987-L989 PolarHBondContact O-N 3.38Å; L989-T991 PolarHBondContact O-N 3.09Å; L989-Y993 HydrophobicContact CD2-CG 4.3Å
990	N	70.1	Confident	64.1	Low	105.25 Å²	105.25	121.4 Å²	121.4	56%	0.563	67%	0.667	S	S	*	*			trans	-47.5	134.4	179.9	-76	-31.4	0	0	0	111	P988 L992 Y993	P988-N990 PolarHBondContact O-N 2.89Å; P988-N990 VanDerWaalsContact O-N 3.11Å; N990-L992 PolarHBondContact O-N 3.19Å; N990-Y993 WeakPolarHBondContact O-CB 3.32Å; N990-Y993 PolarHBondContact O-N 3.08Å
991	T	77.3	Confident	66.7	Low	109.5 Å²	109.5	119.2 Å²	119.2	67%	0.672	66%	0.659	S	S	*	*	H	α-helix	trans	-51.6	-31.5	-176.8	-41.3	0	0	0	0	112.7	L989 Y993 L994 V995	L989-T991 PolarHBondContact O-N 3.09Å; T991-Y993 VanDerWaalsContact C-N 3.32Å; T991-Y993 PolarHBondContact O-N 3.11Å; T991-L994 PolarHBondContact O-N 3.14Å; T991-V995 HydrophobicContact CG2-CG2 4.44Å; T991-V995 WeakPolarHBondContact O-CG2 3.23Å; T991-V995 PolarHBondContact O-N 3.1Å
992	L	80.3	Confident	69.3	Low	129 Å²	129	115.4 Å²	115.4	68%	0.675	64%	0.641	S	S	*	*	H	α-helix	trans	-52.7	-44.9	172.3	-168.5	73.6	0	0	0	113.1	N990 L994 V995 C996	N990-L992 PolarHBondContact O-N 3.19Å; L992-L994 PolarHBondContact O-N 3.49Å; L992-V995 PolarHBondContact O-N 2.57Å; L992-C996 WeakPolarHBondContact O-CB 3.23Å; L992-C996 PolarHBondContact O-N 2.9Å; L992-C996 PolarHBondContact O-SG 3.16Å
993	Y	81.1	Confident	72.2	Confident	153 Å²	153	113.6 Å²	113.6	60%	0.6	62%	0.623	S	S	*	*	H	α-helix	trans	-65.8	-40.7	178.6	-94.1	-83.2	0	0	0	112.1	L989 N990 T991 C996 I997	L989-Y993 HydrophobicContact CD2-CG 4.3Å; N990-Y993 WeakPolarHBondContact O-CB 3.32Å; N990-Y993 PolarHBondContact O-N 3.08Å; T991-Y993 VanDerWaalsContact C-N 3.32Å; T991-Y993 PolarHBondContact O-N 3.11Å; Y993-C996 PolarHBondContact O-N 3.16Å; Y993-I997 VanDerWaalsContact O-CG1 3.29Å; Y993-I997 WeakPolarHBondContact O-CG1 3.3Å; Y993-I997 PolarHBondContact O-N 3.17Å
994	L	79.3	Confident	74.9	Confident	97.5 Å²	97.5	106.6 Å²	106.6	51%	0.51	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-41.1	177.1	-128.7	169.5	0	0	0	110.8	T991 L992 C996 I997 L998	T991-L994 PolarHBondContact O-N 3.14Å; L992-L994 PolarHBondContact O-N 3.49Å; L994-C996 PolarHBondContact O-N 3.29Å; L994-I997 PolarHBondContact O-N 3.04Å; L994-L998 HydrophobicContact CD2-CD1 3.74Å; L994-L998 HydrophobicContact CD2-CG 4.13Å; L994-L998 WeakPolarHBondContact O-CB 3.31Å; L994-L998 VanDerWaalsContact O-CG 3.3Å; L994-L998 WeakPolarHBondContact O-CG 3.32Å; L994-L998 PolarHBondContact O-N 3.06Å
995	V	87.8	Confident	77.5	Confident	88.5 Å²	88.5	103.9 Å²	103.9	54%	0.536	59%	0.588	S	S	.	*	H	α-helix	trans	-63.4	-41	172.8	171.4	0	0	0	0	111.7	T991 L992 L998 G999	T991-V995 HydrophobicContact CG2-CG2 4.44Å; T991-V995 WeakPolarHBondContact O-CG2 3.23Å; T991-V995 PolarHBondContact O-N 3.1Å; L992-V995 PolarHBondContact O-N 2.57Å; V995-L998 PolarHBondContact O-N 3.34Å; V995-G999 PolarHBondContact O-N 3.23Å
996	C	87.8	Confident	80.2	Confident	71 Å²	71	100.6 Å²	100.6	48%	0.48	58%	0.579	S	S	.	*	H	α-helix	trans	-63.4	-43.5	174.6	-72.5	0	0	0	0	112.3	L992 Y993 L994 G999 V1000	L992-C996 WeakPolarHBondContact O-CB 3.23Å; L992-C996 PolarHBondContact O-N 2.9Å; L992-C996 PolarHBondContact O-SG 3.16Å; Y993-C996 PolarHBondContact O-N 3.16Å; L994-C996 PolarHBondContact O-N 3.29Å; C996-G999 PolarHBondContact O-N 2.96Å; C996-V1000 WeakPolarHBondContact O-CG2 3.4Å; C996-V1000 PolarHBondContact O-N 3.07Å
997	I	87.9	Confident	82.8	Confident	97.25 Å²	97.25	96.4 Å²	96.4	50%	0.499	57%	0.565	S	S	.	*	H	α-helix	trans	-63.1	-47	177	-69.4	164.1	0	0	0	110.4	Y993 L994 G999 V1000 V1001	Y993-I997 VanDerWaalsContact O-CG1 3.29Å; Y993-I997 WeakPolarHBondContact O-CG1 3.3Å; Y993-I997 PolarHBondContact O-N 3.17Å; L994-I997 PolarHBondContact O-N 3.04Å; I997-G999 VanDerWaalsContact C-N 3.34Å; I997-G999 PolarHBondContact O-N 2.96Å; I997-V1000 PolarHBondContact O-N 2.97Å; I997-V1001 HydrophobicContact CG2-CG2 4.48Å; I997-V1001 WeakPolarHBondContact O-CG2 3.21Å; I997-V1001 PolarHBondContact O-N 3.13Å
998	L	89	Confident	85	Confident	99 Å²	99	98.4 Å²	98.4	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-60.1	-42.3	175	-74.8	168.6	0	0	0	111.9	L994 V995 V1000 V1001 V1002	L994-L998 HydrophobicContact CD2-CD1 3.74Å; L994-L998 HydrophobicContact CD2-CG 4.13Å; L994-L998 WeakPolarHBondContact O-CB 3.31Å; L994-L998 VanDerWaalsContact O-CG 3.3Å; L994-L998 WeakPolarHBondContact O-CG 3.32Å; L994-L998 PolarHBondContact O-N 3.06Å; V995-L998 PolarHBondContact O-N 3.34Å; L998-V1000 PolarHBondContact O-N 3.01Å; L998-V1001 PolarHBondContact O-N 3.05Å; L998-V1002 WeakPolarHBondContact O-CB 3.45Å; L998-V1002 VanDerWaalsContact O-CG2 3.3Å; L998-V1002 WeakPolarHBondContact O-CG2 3.27Å; L998-V1002 PolarHBondContact O-N 3.12Å
999	G	91.5	Very high	87	Confident	45.5 Å²	45.5	97.9 Å²	97.9	47%	0.469	55%	0.549	S	S	.	.	H	α-helix	trans	-61.2	-42.2	175.8	0	0	0	0	0	113.2	V995 C996 I997 G1003	V995-G999 PolarHBondContact O-N 3.23Å; C996-G999 PolarHBondContact O-N 2.96Å; I997-G999 VanDerWaalsContact C-N 3.34Å; I997-G999 PolarHBondContact O-N 2.96Å; G999-G1003 WeakPolarHBondContact O-CA 3.38Å; G999-G1003 PolarHBondContact O-N 3.47Å
1000	V	93.9	Very high	88.7	Confident	111.5 Å²	111.5	94.1 Å²	94.1	68%	0.676	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-41.8	176.1	170.5	0	0	0	0	111.6	C996 I997 L998 G1004	C996-V1000 WeakPolarHBondContact O-CG2 3.4Å; C996-V1000 PolarHBondContact O-N 3.07Å; I997-V1000 PolarHBondContact O-N 2.97Å; L998-V1000 PolarHBondContact O-N 3.01Å; V1000-G1004 PolarHBondContact O-N 2.88Å
1001	V	93.9	Very high	89.7	Confident	87.2 Å²	87.2	93.1 Å²	93.1	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-49.9	178.2	171.6	0	0	0	0	111.1	I997 L998 G1003 G1004 V1005	I997-V1001 HydrophobicContact CG2-CG2 4.48Å; I997-V1001 WeakPolarHBondContact O-CG2 3.21Å; I997-V1001 PolarHBondContact O-N 3.13Å; L998-V1001 PolarHBondContact O-N 3.05Å; V1001-G1003 PolarHBondContact O-N 3.08Å; V1001-G1004 PolarHBondContact O-N 3.18Å; V1001-V1005 WeakPolarHBondContact O-CG2 3.39Å; V1001-V1005 PolarHBondContact O-N 3.13Å
1002	V	94.6	Very high	90.3	Very high	80.4 Å²	80.4	92.6 Å²	92.6	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-64.7	-44.4	178.9	174	0	0	0	0	110.9	L998 G1004 V1005 F1006	L998-V1002 WeakPolarHBondContact O-CB 3.45Å; L998-V1002 VanDerWaalsContact O-CG2 3.3Å; L998-V1002 WeakPolarHBondContact O-CG2 3.27Å; L998-V1002 PolarHBondContact O-N 3.12Å; V1002-G1004 VanDerWaalsContact C-N 3.33Å; V1002-G1004 PolarHBondContact O-N 3.01Å; V1002-V1005 PolarHBondContact O-N 3.03Å; V1002-F1006 HydrophobicContact CG1-CD2 4.02Å; V1002-F1006 HydrophobicContact CG1-CE2 4.19Å; V1002-F1006 VanDerWaalsContact O-CD2 3.31Å; V1002-F1006 WeakPolarHBondContact O-CD2 3.32Å; V1002-F1006 PolarHBondContact O-N 3.15Å
1003	G	93.4	Very high	90.7	Very high	38.8 Å²	38.8	93 Å²	93	40%	0.4	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-40.7	175.2	0	0	0	0	0	112.9	G999 V1001 F1006 L1007	G999-G1003 WeakPolarHBondContact O-CA 3.38Å; G999-G1003 PolarHBondContact O-N 3.47Å; V1001-G1003 PolarHBondContact O-N 3.08Å; G1003-F1006 PolarHBondContact O-N 2.84Å; G1003-L1007 VanDerWaalsContact O-CB 3.3Å; G1003-L1007 WeakPolarHBondContact O-CB 3.26Å; G1003-L1007 PolarHBondContact O-N 3.06Å
1004	G	94.5	Very high	91	Very high	37.6 Å²	37.6	92.3 Å²	92.3	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.5	0	0	0	0	0	112.9	V1000 V1001 V1002 L1007 F1008	V1000-G1004 PolarHBondContact O-N 2.88Å; V1001-G1004 PolarHBondContact O-N 3.18Å; V1002-G1004 VanDerWaalsContact C-N 3.33Å; V1002-G1004 PolarHBondContact O-N 3.01Å; G1004-L1007 PolarHBondContact O-N 3.02Å; G1004-F1008 VanDerWaalsContact O-CB 3.29Å; G1004-F1008 WeakPolarHBondContact O-CB 3.23Å; G1004-F1008 PolarHBondContact O-N 2.89Å
1005	V	94.2	Very high	91.5	Very high	81.2 Å²	81.2	92 Å²	92	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-63.5	-44.9	175	171.3	0	0	0	0	111.1	V1001 V1002 L1007 F1008 L1009	V1001-V1005 WeakPolarHBondContact O-CG2 3.39Å; V1001-V1005 PolarHBondContact O-N 3.13Å; V1002-V1005 PolarHBondContact O-N 3.03Å; V1005-L1007 PolarHBondContact O-N 3.23Å; V1005-F1008 PolarHBondContact O-N 3.2Å; V1005-L1009 HydrophobicContact CG1-CD1 3.91Å; V1005-L1009 HydrophobicContact CG1-CG 4.42Å; V1005-L1009 WeakPolarHBondContact O-CB 3.42Å; V1005-L1009 VanDerWaalsContact O-CG 3.29Å; V1005-L1009 WeakPolarHBondContact O-CG 3.28Å; V1005-L1009 PolarHBondContact O-N 3.08Å
1006	F	93.9	Very high	91.2	Very high	148.6 Å²	148.6	95.7 Å²	95.7	65%	0.652	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-43.2	175.7	-98.2	-82.7	0	0	0	112.6	V1002 G1003 L1009 A1010	V1002-F1006 HydrophobicContact CG1-CD2 4.02Å; V1002-F1006 HydrophobicContact CG1-CE2 4.19Å; V1002-F1006 VanDerWaalsContact O-CD2 3.31Å; V1002-F1006 WeakPolarHBondContact O-CD2 3.32Å; V1002-F1006 PolarHBondContact O-N 3.15Å; G1003-F1006 PolarHBondContact O-N 2.84Å; F1006-L1009 PolarHBondContact O-N 3.03Å; F1006-A1010 VanDerWaalsContact O-CB 3.28Å; F1006-A1010 WeakPolarHBondContact O-CB 3.26Å; F1006-A1010 PolarHBondContact O-N 3.13Å
1007	L	93.5	Very high	90.9	Very high	113.2 Å²	113.2	102.2 Å²	102.2	59%	0.593	54%	0.538	S	S	*	.	H	α-helix	trans	-63.9	-43	177	-172.4	90.8	0	0	0	111.4	G1003 G1004 V1005 A1010 I1011	G1003-L1007 VanDerWaalsContact O-CB 3.3Å; G1003-L1007 WeakPolarHBondContact O-CB 3.26Å; G1003-L1007 PolarHBondContact O-N 3.06Å; G1004-L1007 PolarHBondContact O-N 3.02Å; V1005-L1007 PolarHBondContact O-N 3.23Å; L1007-A1010 PolarHBondContact O-N 3.14Å; L1007-I1011 HydrophobicContact CD1-CD1 4.24Å; L1007-I1011 HydrophobicContact CD1-CG1 4.41Å; L1007-I1011 HydrophobicContact CD2-CD1 3.92Å; L1007-I1011 HydrophobicContact CD2-CG1 4.43Å; L1007-I1011 HydrophobicContact CG-CD1 4Å; L1007-I1011 WeakPolarHBondContact O-CB 3.33Å; L1007-I1011 VanDerWaalsContact O-CG1 3.27Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; L1007-I1011 PolarHBondContact O-N 3.14Å
1008	F	93.3	Very high	90.1	Very high	127.8 Å²	127.8	107 Å²	107	56%	0.561	55%	0.55	S	S	*	.	H	α-helix	trans	-63.4	-45.3	177.4	-170	-95.7	0	0	0	111.8	G1004 V1005 A1010 I1011 F1012	G1004-F1008 VanDerWaalsContact O-CB 3.29Å; G1004-F1008 WeakPolarHBondContact O-CB 3.23Å; G1004-F1008 PolarHBondContact O-N 2.89Å; V1005-F1008 PolarHBondContact O-N 3.2Å; F1008-A1010 VanDerWaalsContact C-N 3.35Å; F1008-A1010 PolarHBondContact O-N 3.19Å; F1008-I1011 PolarHBondContact O-N 3.15Å; F1008-F1012 AromaticContact CD1-CD2 3.92Å; F1008-F1012 HydrophobicContact CD1-CD2 4.02Å; F1008-F1012 AromaticContact CD1-CE2 3.99Å; F1008-F1012 HydrophobicContact CD1-CE2 4.23Å; F1008-F1012 HydrophobicContact CD2-CD2 4.45Å; F1008-F1012 HydrophobicContact CD2-CE2 4.19Å; F1008-F1012 AromaticContact CE1-CD2 3.67Å; F1008-F1012 HydrophobicContact CE1-CD2 3.67Å; F1008-F1012 AromaticContact CE1-CE2 3.55Å; F1008-F1012 HydrophobicContact CE1-CE2 3.55Å; F1008-F1012 VanDerWaalsContact CE1-CE2 3.45Å; F1008-F1012 HydrophobicContact CE1-CZ 4.2Å; F1008-F1012 HydrophobicContact CE2-CD2 4.28Å; F1008-F1012 AromaticContact CE2-CE2 3.77Å; F1008-F1012 HydrophobicContact CE2-CE2 3.93Å; F1008-F1012 HydrophobicContact CG-CD2 4.24Å; F1008-F1012 HydrophobicContact CG-CE2 4.35Å; F1008-F1012 AromaticContact CZ-CD2 3.85Å; F1008-F1012 HydrophobicContact CZ-CD2 3.96Å; F1008-F1012 AromaticContact CZ-CE2 3.47Å; F1008-F1012 HydrophobicContact CZ-CE2 3.47Å; F1008-F1012 AromaticContact CZ-CZ 3.8Å; F1008-F1012 HydrophobicContact CZ-CZ 4.17Å; F1008-F1012 WeakPolarHBondContact O-CB 3.36Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.31Å; F1008-F1012 PolarHBondContact O-N 3.08Å
1009	L	92.7	Very high	89	Confident	98.6 Å²	98.6	111.5 Å²	111.5	52%	0.516	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-39.6	174.9	-71	172.4	0	0	0	112.2	V1005 F1006 F1012 M1013	V1005-L1009 HydrophobicContact CG1-CD1 3.91Å; V1005-L1009 HydrophobicContact CG1-CG 4.42Å; V1005-L1009 WeakPolarHBondContact O-CB 3.42Å; V1005-L1009 VanDerWaalsContact O-CG 3.29Å; V1005-L1009 WeakPolarHBondContact O-CG 3.28Å; V1005-L1009 PolarHBondContact O-N 3.08Å; F1006-L1009 PolarHBondContact O-N 3.03Å; L1009-F1012 PolarHBondContact O-N 2.93Å; L1009-M1013 WeakPolarHBondContact O-CB 3.32Å; L1009-M1013 WeakPolarHBondContact O-CG 3.27Å; L1009-M1013 PolarHBondContact O-N 3.15Å
1010	A	91.9	Very high	87.3	Confident	56.2 Å²	56.2	112.6 Å²	112.6	46%	0.464	57%	0.57	S	S	.	*	H	α-helix	trans	-64.3	-42.1	175.1	0	0	0	0	0	112	F1006 L1007 F1008 M1013 F1014	F1006-A1010 VanDerWaalsContact O-CB 3.28Å; F1006-A1010 WeakPolarHBondContact O-CB 3.26Å; F1006-A1010 PolarHBondContact O-N 3.13Å; L1007-A1010 PolarHBondContact O-N 3.14Å; F1008-A1010 VanDerWaalsContact C-N 3.35Å; F1008-A1010 PolarHBondContact O-N 3.19Å; A1010-M1013 PolarHBondContact O-N 2.89Å; A1010-F1014 WeakPolarHBondContact O-CB 3.27Å; A1010-F1014 PolarHBondContact O-N 3.17Å
1011	I	92.4	Very high	85.4	Confident	84.4 Å²	84.4	117.6 Å²	117.6	43%	0.433	58%	0.578	S	S	.	*	H	α-helix	trans	-62.8	-45.6	173.8	-71.6	167.1	0	0	0	110.5	L1007 F1008 M1013 F1014 I1015	L1007-I1011 HydrophobicContact CD1-CD1 4.24Å; L1007-I1011 HydrophobicContact CD1-CG1 4.41Å; L1007-I1011 HydrophobicContact CD2-CD1 3.92Å; L1007-I1011 HydrophobicContact CD2-CG1 4.43Å; L1007-I1011 HydrophobicContact CG-CD1 4Å; L1007-I1011 WeakPolarHBondContact O-CB 3.33Å; L1007-I1011 VanDerWaalsContact O-CG1 3.27Å; L1007-I1011 WeakPolarHBondContact O-CG1 3.35Å; L1007-I1011 PolarHBondContact O-N 3.14Å; F1008-I1011 PolarHBondContact O-N 3.15Å; I1011-M1013 VanDerWaalsContact C-N 3.34Å; I1011-M1013 PolarHBondContact O-N 2.95Å; I1011-F1014 PolarHBondContact O-N 2.88Å; I1011-F1014 VanDerWaalsContact O-N 3.16Å; I1011-I1015 HydrophobicContact CG2-CD1 3.74Å; I1011-I1015 HydrophobicContact CG2-CG1 4.4Å; I1011-I1015 WeakPolarHBondContact O-CB 3.33Å; I1011-I1015 VanDerWaalsContact O-CG1 3.29Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; I1011-I1015 PolarHBondContact O-N 3.21Å
1012	F	90.2	Very high	83.1	Confident	99 Å²	99	118.1 Å²	118.1	43%	0.434	59%	0.585	S	S	.	*	H	α-helix	trans	-60.5	-44.1	176.3	-106.1	-96	0	0	0	112.1	F1008 L1009 F1014 I1015 Y1016	F1008-F1012 AromaticContact CD1-CD2 3.92Å; F1008-F1012 HydrophobicContact CD1-CD2 4.02Å; F1008-F1012 AromaticContact CD1-CE2 3.99Å; F1008-F1012 HydrophobicContact CD1-CE2 4.23Å; F1008-F1012 HydrophobicContact CD2-CD2 4.45Å; F1008-F1012 HydrophobicContact CD2-CE2 4.19Å; F1008-F1012 AromaticContact CE1-CD2 3.67Å; F1008-F1012 HydrophobicContact CE1-CD2 3.67Å; F1008-F1012 AromaticContact CE1-CE2 3.55Å; F1008-F1012 HydrophobicContact CE1-CE2 3.55Å; F1008-F1012 VanDerWaalsContact CE1-CE2 3.45Å; F1008-F1012 HydrophobicContact CE1-CZ 4.2Å; F1008-F1012 HydrophobicContact CE2-CD2 4.28Å; F1008-F1012 AromaticContact CE2-CE2 3.77Å; F1008-F1012 HydrophobicContact CE2-CE2 3.93Å; F1008-F1012 HydrophobicContact CG-CD2 4.24Å; F1008-F1012 HydrophobicContact CG-CE2 4.35Å; F1008-F1012 AromaticContact CZ-CD2 3.85Å; F1008-F1012 HydrophobicContact CZ-CD2 3.96Å; F1008-F1012 AromaticContact CZ-CE2 3.47Å; F1008-F1012 HydrophobicContact CZ-CE2 3.47Å; F1008-F1012 AromaticContact CZ-CZ 3.8Å; F1008-F1012 HydrophobicContact CZ-CZ 4.17Å; F1008-F1012 WeakPolarHBondContact O-CB 3.36Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.31Å; F1008-F1012 PolarHBondContact O-N 3.08Å; L1009-F1012 PolarHBondContact O-N 2.93Å; F1012-F1014 VanDerWaalsContact C-N 3.33Å; F1012-F1014 PolarHBondContact O-N 3.4Å; F1012-I1015 PolarHBondContact O-N 2.71Å; F1012-Y1016 HydrophobicContact CB-CD2 4.49Å; F1012-Y1016 HydrophobicContact CB-CE2 4.49Å; F1012-Y1016 HydrophobicContact CD1-CD2 4.33Å; F1012-Y1016 HydrophobicContact CD1-CE2 4.19Å; F1012-Y1016 WeakPolarHBondContact O-CB 3.18Å; F1012-Y1016 WeakPolarHBondContact O-CD2 3.27Å; F1012-Y1016 PolarHBondContact O-N 3.1Å
1013	M	88.7	Confident	80.6	Confident	136.6 Å²	136.6	122.1 Å²	122.1	67%	0.673	60%	0.603	S	S	*	*	H	α-helix	trans	-63.7	-37.7	174.8	-77.5	-67.1	162.8	0	0	112.5	L1009 A1010 I1011 Y1016 R1017	L1009-M1013 WeakPolarHBondContact O-CB 3.32Å; L1009-M1013 WeakPolarHBondContact O-CG 3.27Å; L1009-M1013 PolarHBondContact O-N 3.15Å; A1010-M1013 PolarHBondContact O-N 2.89Å; I1011-M1013 VanDerWaalsContact C-N 3.34Å; I1011-M1013 PolarHBondContact O-N 2.95Å; M1013-Y1016 PolarHBondContact O-N 3.2Å; M1013-R1017 WeakPolarHBondContact O-CB 3.38Å; M1013-R1017 PolarHBondContact O-N 3.38Å
1014	F	86.8	Confident	78.4	Confident	138.8 Å²	138.8	127 Å²	127	61%	0.609	62%	0.619	S	S	*	*	H	α-helix	trans	-66	-41.9	173.8	-137.6	-88.6	0	0	0	112	A1010 I1011 F1012 R1017 R1018	A1010-F1014 WeakPolarHBondContact O-CB 3.27Å; A1010-F1014 PolarHBondContact O-N 3.17Å; I1011-F1014 PolarHBondContact O-N 2.88Å; I1011-F1014 VanDerWaalsContact O-N 3.16Å; F1012-F1014 VanDerWaalsContact C-N 3.33Å; F1012-F1014 PolarHBondContact O-N 3.4Å; F1014-R1017 PolarHBondContact O-N 3.07Å; F1014-R1018 VanDerWaalsContact O-CB 3.25Å; F1014-R1018 WeakPolarHBondContact O-CB 3.35Å; F1014-R1018 PolarHBondContact O-N 3.23Å
1015	I	88.5	Confident	76.1	Confident	91 Å²	91	134.4 Å²	134.4	47%	0.467	64%	0.641	S	S	.	*	H	α-helix	trans	-63.7	-47	176.2	-69.3	167.5	0	0	0	110.6	I1011 F1012 R1017 R1018 R1019	I1011-I1015 HydrophobicContact CG2-CD1 3.74Å; I1011-I1015 HydrophobicContact CG2-CG1 4.4Å; I1011-I1015 WeakPolarHBondContact O-CB 3.33Å; I1011-I1015 VanDerWaalsContact O-CG1 3.29Å; I1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; I1011-I1015 PolarHBondContact O-N 3.21Å; F1012-I1015 PolarHBondContact O-N 2.71Å; I1015-R1017 PolarHBondContact O-N 3.05Å; I1015-R1018 PolarHBondContact O-N 3.02Å; I1015-R1019 VanDerWaalsContact O-CB 3.27Å; I1015-R1019 WeakPolarHBondContact O-CB 3.29Å; I1015-R1019 PolarHBondContact O-N 3.24Å
1016	Y	82.6	Confident	73.4	Confident	165 Å²	165	137.9 Å²	137.9	65%	0.647	66%	0.656	S	S	*	*	H	α-helix	trans	-60.1	-48	175.4	-103	-85.7	0	0	0	111.8	F1012 M1013 R1018 R1019 G1020 K1224	F1012-Y1016 HydrophobicContact CB-CD2 4.49Å; F1012-Y1016 HydrophobicContact CB-CE2 4.49Å; F1012-Y1016 HydrophobicContact CD1-CD2 4.33Å; F1012-Y1016 HydrophobicContact CD1-CE2 4.19Å; F1012-Y1016 WeakPolarHBondContact O-CB 3.18Å; F1012-Y1016 WeakPolarHBondContact O-CD2 3.27Å; F1012-Y1016 PolarHBondContact O-N 3.1Å; M1013-Y1016 PolarHBondContact O-N 3.2Å; Y1016-R1018 VanDerWaalsContact C-N 3.31Å; Y1016-R1018 PolarHBondContact O-N 3.13Å; Y1016-R1019 PolarHBondContact O-N 3.13Å; Y1016-R1019 VanDerWaalsContact O-N 3.08Å; Y1016-G1020 PolarHBondContact O-N 3.12Å; Y1016-K1224 PolarHBondContact OH-NZ 3.48Å
1017	R	81.1	Confident	70.6	Confident	207.6 Å²	207.6	140.1 Å²	140.1	78%	0.783	67%	0.666	S	S	*	*	H	α-helix	trans	-66.2	-30.4	-180	-171.7	171.2	177.1	136.4	-4.3	113	M1013 F1014 I1015 R1019 G1020	M1013-R1017 WeakPolarHBondContact O-CB 3.38Å; M1013-R1017 PolarHBondContact O-N 3.38Å; F1014-R1017 PolarHBondContact O-N 3.07Å; I1015-R1017 PolarHBondContact O-N 3.05Å; R1017-R1019 VanDerWaalsContact C-N 3.29Å; R1017-R1019 PolarHBondContact O-N 3.31Å; R1017-G1020 PolarHBondContact O-N 2.78Å
1018	R	72.1	Confident	67.9	Low	198.6 Å²	198.6	139.4 Å²	139.4	75%	0.749	67%	0.671	S	S	*	*	H	α-helix	trans	-80.2	-29.7	176.8	-156.3	171.6	-166.4	168.9	3.7	112.6	F1014 I1015 Y1016 G1020 R1021 S1022	F1014-R1018 VanDerWaalsContact O-CB 3.25Å; F1014-R1018 WeakPolarHBondContact O-CB 3.35Å; F1014-R1018 PolarHBondContact O-N 3.23Å; I1015-R1018 PolarHBondContact O-N 3.02Å; Y1016-R1018 VanDerWaalsContact C-N 3.31Å; Y1016-R1018 PolarHBondContact O-N 3.13Å; R1018-G1020 VanDerWaalsContact C-N 3.31Å; R1018-G1020 PolarHBondContact O-N 3.07Å; R1018-R1021 PolarHBondContact O-N 3.04Å; R1018-S1022 PolarHBondContact O-N 2.94Å
1019	R	65.6	Low	65.2	Low	194.2 Å²	194.2	143.3 Å²	143.3	73%	0.733	68%	0.683	S	S	*	*	H	α-helix	trans	-77.7	-15.1	177	-154.8	168.8	-170.7	131.2	0.5	113.6	I1015 Y1016 R1017 R1021 S1022 S1221 D1222	I1015-R1019 VanDerWaalsContact O-CB 3.27Å; I1015-R1019 WeakPolarHBondContact O-CB 3.29Å; I1015-R1019 PolarHBondContact O-N 3.24Å; Y1016-R1019 PolarHBondContact O-N 3.13Å; Y1016-R1019 VanDerWaalsContact O-N 3.08Å; R1017-R1019 VanDerWaalsContact C-N 3.29Å; R1017-R1019 PolarHBondContact O-N 3.31Å; R1019-R1021 VanDerWaalsContact C-N 3.29Å; R1019-R1021 PolarHBondContact O-N 3.08Å; R1019-S1022 PolarHBondContact O-OG 3.18Å; R1019-S1221 PolarHBondContact NH2-O 3.35Å; R1019-D1222 IonicContact CZ-OD2 2.61Å; R1019-D1222 IonicContact NH1-OD2 3.91Å; R1019-D1222 PolarHBondContact NH1-OD2 3.35Å; R1019-D1222 IonicContact NH2-OD2 3.58Å
1020	G	54.8	Low	62.6	Low	67.4 Å²	67.4	148 Å²	148	70%	0.695	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	8.3	175.5	0	0	0	0	0	116.3	Y1016 R1017 R1018	Y1016-G1020 PolarHBondContact O-N 3.12Å; R1017-G1020 PolarHBondContact O-N 2.78Å; R1018-G1020 VanDerWaalsContact C-N 3.31Å; R1018-G1020 PolarHBondContact O-N 3.07Å
1021	R	53.9	Low	60	Low	218.4 Å²	218.4	151.3 Å²	151.3	82%	0.824	71%	0.705	S	S	*	*	S	Bend	trans	-139.8	52.9	-172.9	-125.8	177.2	-176.7	143.6	-1.9	115.2	R1018 R1019 N1023	R1018-R1021 PolarHBondContact O-N 3.04Å; R1019-R1021 VanDerWaalsContact C-N 3.29Å; R1019-R1021 PolarHBondContact O-N 3.08Å; R1021-N1023 VanDerWaalsContact C-N 3.3Å; R1021-N1023 PolarHBondContact O-N 3.13Å
1022	S	46.5	Very low	57.4	Low	97 Å²	97	152.6 Å²	152.6	68%	0.678	71%	0.713	S	S	*	*			trans	-132.1	74.9	169.2	58	0	0	0	0	114	R1018 R1019	R1018-S1022 PolarHBondContact O-N 2.94Å; R1019-S1022 PolarHBondContact O-OG 3.18Å
1023	N	41.7	Very low	55	Low	163.4 Å²	163.4	155.2 Å²	155.2	87%	0.874	73%	0.726	S	S	*	*			trans	-126.9	69.5	158.6	-92	-10.9	0	0	0	114.5	R1021	R1021-N1023 VanDerWaalsContact C-N 3.3Å; R1021-N1023 PolarHBondContact O-N 3.13Å
1024	I	47.3	Very low	52.5	Low	142.8 Å²	142.8	154.4 Å²	154.4	73%	0.732	72%	0.724	S	S	*	*	S	Bend	trans	-150.7	123.9	169.8	-55.3	174.7	0	0	0	111.1
1025	F	46.4	Very low	50.2	Low	192.2 Å²	192.2	154.4 Å²	154.4	84%	0.843	73%	0.726	S	S	*	*			trans	69.5	103.6	174.8	-68.1	-83.7	0	0	0	116.9
1026	N	37.3	Very low	47.6	Very low	154.2 Å²	154.2	159.3 Å²	159.3	83%	0.825	74%	0.739	S	S	*	*			trans	-147.6	128.8	167.3	-140.7	-10.6	0	0	0	110.4
1027	K	35.5	Very low	45.3	Very low	195.6 Å²	195.6	159.8 Å²	159.8	85%	0.85	75%	0.745	S	S	*	*			trans	-147.2	124.8	169.2	-141.2	172.7	-177	177.9	0	114.4
1028	S	35.8	Very low	43.1	Very low	99.6 Å²	99.6	158.6 Å²	158.6	70%	0.697	75%	0.745	S	S	*	*			trans	110	115	153.1	-153.7	0	0	0	0	116.4
1029	Y	38.2	Very low	41.3	Very low	208.8 Å²	208.8	154.5 Å²	154.5	82%	0.819	75%	0.746	S	S	*	*			trans	165.5	128.9	135	-115.2	-107.8	0	0	0	114.3
1030	Y	37.8	Very low	39.8	Very low	197.6 Å²	197.6	149.5 Å²	149.5	78%	0.775	75%	0.745	S	S	*	*			trans	98.9	137.2	142.5	-92.9	-85.4	0	0	0	114.3
1031	N	37.8	Very low	38.8	Very low	124.4 Å²	124.4	155.6 Å²	155.6	67%	0.665	75%	0.753	S	S	*	*			trans	179.7	164.8	142.5	-130.8	-12.7	0	0	0	112.7
1032	N	36.7	Very low	37.9	Very low	112.4 Å²	112.4	149.9 Å²	149.9	60%	0.601	75%	0.747	S	S	*	*			trans	78.2	145.6	169.4	-81.1	-27.5	0	0	0	119.2	R1050 C1051	N1032-R1050 VanDerWaalsContact CG-CD 3.44Å; N1032-R1050 VanDerWaalsContact OD1-CD 3.26Å; N1032-R1050 WeakPolarHBondContact OD1-CD 3.3Å; N1032-R1050 WeakPolarHBondContact OD1-CG 3.49Å; N1032-R1050 PolarHBondContact OD1-NE 3.49Å; N1032-R1050 VanDerWaalsContact OD1-NE 3.15Å; N1032-C1051 PolarHBondContact ND2-SG 3.14Å
1033	H	39.3	Very low	37.4	Very low	154.2 Å²	154.2	155.6 Å²	155.6	71%	0.714	75%	0.753	S	S	*	*			trans	105	153.4	140.6	-87.4	-66.9	0	0	0	116.6	R1050	H1033-R1050 VanDerWaalsContact N-NE 3.13Å; H1033-R1050 PolarHBondContact O-NH2 3.47Å
1034	N	36.5	Very low	37.2	Very low	118.2 Å²	118.2	155.3 Å²	155.3	63%	0.632	75%	0.752	S	S	*	*				158.7	157.3	-112.9	-110.1	-10.7	0	0	0	114.4	R1050	N1034-R1050 VanDerWaalsContact CG-NH2 3.33Å; N1034-R1050 PolarHBondContact ND2-NH1 3.17Å; N1034-R1050 PolarHBondContact OD1-NH1 2.82Å; N1034-R1050 VanDerWaalsContact OD1-NH1 3.14Å; N1034-R1050 PolarHBondContact OD1-NH2 2.95Å
1035	H	38.3	Very low	36.5	Very low	140.6 Å²	140.6	151.8 Å²	151.8	65%	0.651	75%	0.751	S	S	*	*			trans	79.3	128.2	152.2	-95.7	-90.4	0	0	0	118.8
1036	R	34.8	Very low	35.9	Very low	194 Å²	194	148.2 Å²	148.2	73%	0.732	75%	0.749	S	S	*	*				83.6	121.2	88.9	-94	-177.4	-166.2	177	1.7	117.7
1037	K	34.3	Very low	35.7	Very low	175.4 Å²	175.4	150.7 Å²	150.7	76%	0.763	75%	0.746	S	S	*	*			trans	84.8	158.7	134.5	-68.5	-178.1	179.4	-175.7	0	117
1038	F	34.2	Very low	35.6	Very low	182.4 Å²	182.4	150.3 Å²	150.3	80%	0.8	74%	0.739	S	S	*	*			cis	-177.2	144.2	10.3	-88.3	-95.8	0	0	0	113
1039	C	33.7	Very low	35.5	Very low	112.6 Å²	112.6	154 Å²	154	76%	0.761	74%	0.738	S	S	*	*				69.8	130.9	100.2	-58.6	0	0	0	0	116.1
1040	A	35.5	Very low	35.2	Very low	87.4 Å²	87.4	152.6 Å²	152.6	72%	0.722	73%	0.732	S	S	*	*			cis	159.2	147.1	18.3	0	0	0	0	0	115.3
1041	F	33.6	Very low	34.9	Very low	197.2 Å²	197.2	148.1 Å²	148.1	87%	0.865	73%	0.728	S	S	*	*			trans	110	156.1	152.6	-96.7	-109.1	0	0	0	117.3
1042	S	34.9	Very low	34.7	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	73%	0.732	S	S	*	*				-163.6	145.7	-70.7	-170.9	0	0	0	0	113.2	N1044	S1042-N1044 PolarHBondContact O-N 3.33Å
1043	R	35.7	Very low	34.2	Very low	216.4 Å²	216.4	153 Å²	153	82%	0.817	74%	0.744	S	S	*	*			trans	174	137.6	146.9	-98.9	176.8	177.3	175.7	-2.1	114.1
1044	N	36.8	Very low	34	Very low	156.8 Å²	156.8	152.4 Å²	152.4	84%	0.839	75%	0.745	S	S	*	*			trans	86.9	135.4	160	-62.5	-22.2	0	0	0	116.5	S1042	S1042-N1044 PolarHBondContact O-N 3.33Å
1045	G	33.6	Very low	33.6	Very low	69.8 Å²	69.8	153 Å²	153	72%	0.72	75%	0.748	S	S	*	*			cis	153.7	148.3	-12.9	0	0	0	0	0	114.3
1046	C	32.6	Very low	33.4	Very low	116.8 Å²	116.8	152.8 Å²	152.8	79%	0.789	75%	0.747	S	S	*	*			trans	49.3	144	172.5	-98.3	0	0	0	0	115.9
1047	R	33.9	Very low	33.1	Very low	205.8 Å²	205.8	153.1 Å²	153.1	78%	0.777	75%	0.748	S	S	*	*				179.3	133.9	126.7	-99.6	163.1	-171.6	-150.7	4.9	112.8	I1889 S1890	R1047-I1889 PolarHBondContact NH1-O 3.38Å; R1047-I1889 PolarHBondContact NH2-O 2.93Å; R1047-S1890 PolarHBondContact NH1-O 3.15Å; R1047-S1890 PolarHBondContact NH2-O 3.46Å; R1047-S1890 VanDerWaalsContact NH2-O 3.11Å
1048	R	34.3	Very low	33.1	Very low	187.4 Å²	187.4	151.1 Å²	151.1	71%	0.707	75%	0.746	S	S	*	*				92.6	123	108.8	-80.9	-176	176.3	177.4	-0.7	117.6
1049	R	33.3	Very low	32.9	Very low	178 Å²	178	147.5 Å²	147.5	67%	0.672	74%	0.74	S	S	*	*				89.5	153	118.7	-74.2	176.8	178.2	-178.6	-2.7	115
1050	R	32.6	Very low	32.8	Very low	179.6 Å²	179.6	148.8 Å²	148.8	68%	0.678	74%	0.739	S	S	*	*				154.1	140.2	67.8	-103.1	178.4	-76.3	178.1	3.9	114.7	N1032 H1033 N1034	N1032-R1050 VanDerWaalsContact CG-CD 3.44Å; N1032-R1050 VanDerWaalsContact OD1-CD 3.26Å; N1032-R1050 WeakPolarHBondContact OD1-CD 3.3Å; N1032-R1050 WeakPolarHBondContact OD1-CG 3.49Å; N1032-R1050 PolarHBondContact OD1-NE 3.49Å; N1032-R1050 VanDerWaalsContact OD1-NE 3.15Å; H1033-R1050 VanDerWaalsContact N-NE 3.13Å; H1033-R1050 PolarHBondContact O-NH2 3.47Å; N1034-R1050 VanDerWaalsContact CG-NH2 3.33Å; N1034-R1050 PolarHBondContact ND2-NH1 3.17Å; N1034-R1050 PolarHBondContact OD1-NH1 2.82Å; N1034-R1050 VanDerWaalsContact OD1-NH1 3.14Å; N1034-R1050 PolarHBondContact OD1-NH2 2.95Å
1051	C	30.7	Very low	32.6	Very low	103.4 Å²	103.4	151.5 Å²	151.5	70%	0.699	74%	0.74	S	S	*	*				102.3	146.3	100	-75	0	0	0	0	116.1	N1032	N1032-C1051 PolarHBondContact ND2-SG 3.14Å
1052	C	32.5	Very low	32.6	Very low	110 Å²	110	149.5 Å²	149.5	74%	0.743	74%	0.738	S	S	*	*				60.5	140.8	129.3	-65.3	0	0	0	0	115.7	I1054	C1052-I1054 HydrophobicContact CB-CD1 4.08Å; C1052-I1054 HydrophobicContact CB-CG1 4.11Å
1053	R	27.9	Very low	32.4	Very low	228.6 Å²	228.6	149.6 Å²	149.6	86%	0.863	74%	0.739	S	S	*	*				91	133.9	118.3	-108.4	-175.2	179.8	-176.8	-1.2	112
1054	I	33.4	Very low	32.4	Very low	142 Å²	142	144.7 Å²	144.7	73%	0.728	74%	0.735	S	S	*	*			cis	136.1	123.1	46	-83.9	161.7	0	0	0	111.2	C1052	C1052-I1054 HydrophobicContact CB-CD1 4.08Å; C1052-I1054 HydrophobicContact CB-CG1 4.11Å
1055	N	29.7	Very low	32.1	Very low	131.8 Å²	131.8	148.4 Å²	148.4	71%	0.705	74%	0.737	S	S	*	*				44.1	136.2	118	-112.1	1.8	0	0	0	118.9
1056	Q	33.4	Very low	32	Very low	135 Å²	135	149.4 Å²	149.4	63%	0.631	73%	0.733	S	S	*	*			trans	79.8	138.4	149.8	-65.9	179.9	17.5	0	0	120.6
1057	R	29.4	Very low	32	Very low	200.2 Å²	200.2	151 Å²	151	76%	0.755	73%	0.732	S	S	*	*			trans	85.9	120.8	135.4	-78.5	171.1	-178.8	168.4	-3.2	117.2
1058	N	32.6	Very low	31.8	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	73%	0.727	S	S	*	*				116	141.8	114.4	-82.5	15.7	0	0	0	115.2
1059	T	31.4	Very low	31.9	Very low	107.6 Å²	107.6	147.2 Å²	147.2	66%	0.66	73%	0.728	S	S	*	*				57.7	112.8	126.7	56.7	0	0	0	0	116.8
1060	D	31.5	Very low	31.9	Very low	139.2 Å²	139.2	144.7 Å²	144.7	74%	0.744	73%	0.728	S	S	*	*				95.7	150.3	118.5	-62.5	-24.3	0	0	0	120
1061	L	31.4	Very low	31.9	Very low	143.8 Å²	143.8	139.3 Å²	139.3	75%	0.753	73%	0.728	S	S	*	*			trans	156.2	154.7	145.3	-90.1	150.4	0	0	0	114.7
1062	L	33	Very low	31.9	Very low	156.2 Å²	156.2	138.7 Å²	138.7	82%	0.818	73%	0.731	S	S	*	*			trans	88	120	139.5	-72.3	148.2	0	0	0	119.9
1063	S	29.9	Very low	31.8	Very low	99.8 Å²	99.8	138.2 Å²	138.2	70%	0.698	73%	0.729	S	S	*	*			trans	-27.3	163.8	143.7	-160.3	0	0	0	0	115.1
1064	P	35.6	Very low	31.9	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	72%	0.721	S	S	*	*				-122.3	157.8	52.6	38.9	-25	0	0	0	115.6
1065	R	31	Very low	31.8	Very low	233.4 Å²	233.4	135.5 Å²	135.5	88%	0.881	72%	0.719	S	S	*	*			trans	29.2	146.3	156.8	-86.1	175	178.2	-177.5	-0.3	116
1066	S	30.9	Very low	31.9	Very low	91.2 Å²	91.2	133.9 Å²	133.9	64%	0.638	71%	0.71	S	S	*	*				87.1	132.2	128.6	141	0	0	0	0	115.5	R1160	S1066-R1160 PolarHBondContact OG-NH2 2.97Å
1067	I	34.1	Very low	31.9	Very low	150.4 Å²	150.4	135.2 Å²	135.2	77%	0.771	71%	0.713	S	S	*	*			trans	-151.3	139.1	131.2	-86.1	169.7	0	0	0	111.8	H1069	I1067-H1069 PolarHBondContact O-N 3.36Å
1068	K	30.2	Very low	31.9	Very low	156.2 Å²	156.2	131.8 Å²	131.8	68%	0.679	71%	0.71	S	S	*	*			trans	-111	135.9	-179.1	-77.7	178.3	172.8	-171	0	113.8	R1177 R1178 K1179	K1068-R1177 WeakPolarHBondContact CD-O 3.08Å; K1068-R1177 WeakPolarHBondContact CE-O 3.41Å; K1068-R1177 PolarHBondContact NZ-O 2.94Å; K1068-R1178 CarbonylContact C-O 3.52Å; K1068-R1178 WeakPolarHBondContact CB-O 3.28Å; K1068-R1178 WeakPolarHBondContact CG-O 3.39Å; K1068-K1179 CarbonylContact C-O 3.56Å; K1068-K1179 WeakPolarHBondContact CA-O 3.35Å; K1068-K1179 WeakPolarHBondContact CB-O 3.48Å; K1068-K1179 VanDerWaalsContact CG-O 3.29Å; K1068-K1179 WeakPolarHBondContact CG-O 3.19Å
1069	H	35.5	Very low	31.9	Very low	157.2 Å²	157.2	130.9 Å²	130.9	73%	0.728	71%	0.71	S	S	*	*			trans	-148.4	164.7	153.8	-105.7	-93.8	0	0	0	111.7	I1067 G1071 R1178 K1179	I1067-H1069 PolarHBondContact O-N 3.36Å; H1069-G1071 PolarHBondContact O-N 3.13Å; H1069-R1178 PolarHBondContact CE1-NH1 3.01Å; H1069-R1178 VanDerWaalsContact CE1-NH1 3.35Å; H1069-R1178 PolarHBondContact N-O 3.42Å; H1069-R1178 PolarHBondContact NE2-NH1 3.01Å; H1069-K1179 PolarHBondContact N-O 3.27Å; H1069-K1179 CarbonylContact O-C 3.56Å; H1069-K1179 VanDerWaalsContact O-C 3.29Å; H1069-K1179 WeakPolarHBondContact O-CB 3.37Å; H1069-K1179 WeakPolarHBondContact O-CD 3.47Å; H1069-K1179 VanDerWaalsContact O-CG 3.23Å; H1069-K1179 WeakPolarHBondContact O-CG 3.37Å
1070	N	33.2	Very low	31.9	Very low	125.4 Å²	125.4	132.1 Å²	132.1	67%	0.671	71%	0.711	S	S	*	*			trans	-76.4	142.2	173.4	-71.4	-0.5	0	0	0	113.9	K1179 Q1180 H1181	N1070-K1179 HydrophobicContact CB-CD 4.39Å; N1070-K1179 HydrophobicContact CB-CG 4.32Å; N1070-K1179 VanDerWaalsContact O-CE 3.31Å; N1070-K1179 WeakPolarHBondContact O-CE 3.45Å; N1070-K1179 PolarHBondContact O-NZ 3.1Å; N1070-Q1180 HydrophobicContact CB-CB 3.78Å; N1070-Q1180 HydrophobicContact CB-CG 3.81Å; N1070-Q1180 PolarHBondContact ND2-O 3.44Å; N1070-Q1180 VanDerWaalsContact ND2-O 3.07Å; N1070-H1181 PolarHBondContact OD1-CE1 2.95Å
1071	G	32	Very low	31.9	Very low	66 Å²	66	132.2 Å²	132.2	68%	0.68	71%	0.711	S	S	*	*			trans	178.6	116.1	160.8	0	0	0	0	0	115.9	H1069 S1073	H1069-G1071 PolarHBondContact O-N 3.13Å; G1071-S1073 PolarHBondContact O-N 2.7Å
1072	A	30.5	Very low	31.9	Very low	91.6 Å²	91.6	129.6 Å²	129.6	76%	0.757	71%	0.705	S	S	*	*			trans	53.7	127.4	139.5	0	0	0	0	0	119.2
1073	S	31.2	Very low	31.8	Very low	98.8 Å²	98.8	129.6 Å²	129.6	69%	0.691	71%	0.706	S	S	*	*			cis	-167	134.2	-0.3	-171.3	0	0	0	0	112	G1071 R1075	G1071-S1073 PolarHBondContact O-N 2.7Å; S1073-R1075 PolarHBondContact O-N 3.41Å
1074	L	30.9	Very low	31.9	Very low	133.2 Å²	133.2	130.1 Å²	130.1	70%	0.697	71%	0.71	S	S	*	*			trans	162	108.9	149.2	-106.3	157.3	0	0	0	113.1	L1076 R1268	L1074-L1076 HydrophobicContact CD2-CD2 4.21Å; L1074-L1076 HydrophobicContact CD2-CG 4.14Å; L1074-L1076 PolarHBondContact O-N 3.18Å; L1074-R1268 PolarHBondContact O-NH1 2.9Å
1075	R	30.7	Very low	31.6	Very low	182.2 Å²	182.2	131.1 Å²	131.1	69%	0.688	71%	0.714	S	S	*	*			trans	-119.4	148.1	140.1	-83.5	177.4	168.4	153.1	-7.7	110.2	S1073 F1077 D1267	S1073-R1075 PolarHBondContact O-N 3.41Å; R1075-F1077 VanDerWaalsContact O-CD2 3.27Å; R1075-F1077 WeakPolarHBondContact O-CD2 3.5Å; R1075-F1077 PolarHBondContact O-N 3.35Å; R1075-D1267 WeakPolarHBondContact CD-O 3.38Å; R1075-D1267 IonicContact CZ-OD1 2.66Å; R1075-D1267 PolarHBondContact NE-O 2.03Å; R1075-D1267 IonicContact NE-OD1 3.84Å; R1075-D1267 PolarHBondContact NE-OD1 3.16Å; R1075-D1267 IonicContact NE-OD2 3.17Å; R1075-D1267 PolarHBondContact NH2-O 3.46Å; R1075-D1267 IonicContact NH2-OD1 2.63Å; R1075-D1267 PolarHBondContact NH2-OD1 2.04Å
1076	L	31.4	Very low	31.5	Very low	97.4 Å²	97.4	128.8 Å²	128.8	51%	0.51	71%	0.713	S	S	.	*				-174.2	144.6	129	-96.8	124.2	0	0	0	109.6	L1074 N1078 D1267	L1074-L1076 HydrophobicContact CD2-CD2 4.21Å; L1074-L1076 HydrophobicContact CD2-CG 4.14Å; L1074-L1076 PolarHBondContact O-N 3.18Å; L1076-N1078 PolarHBondContact O-N 2.88Å; L1076-D1267 HydrophobicContact CD1-CB 3.95Å; L1076-D1267 WeakPolarHBondContact CD1-O 2.94Å; L1076-D1267 HydrophobicContact CD2-CB 4.07Å; L1076-D1267 HydrophobicContact CG-CB 4.1Å; L1076-D1267 WeakPolarHBondContact CG-OD2 3.5Å
1077	F	32.6	Very low	31.3	Very low	161.8 Å²	161.8	129.8 Å²	129.8	71%	0.71	72%	0.719	S	S	*	*			trans	-123.3	135.9	137.2	-96.1	-98.1	0	0	0	113.9	R1075 T1079	R1075-F1077 VanDerWaalsContact O-CD2 3.27Å; R1075-F1077 WeakPolarHBondContact O-CD2 3.5Å; R1075-F1077 PolarHBondContact O-N 3.35Å; F1077-T1079 PolarHBondContact O-N 2.61Å
1078	N	30.9	Very low	31.1	Very low	128.4 Å²	128.4	131.3 Å²	131.3	69%	0.687	72%	0.723	S	S	*	*			trans	70.6	136.3	146.1	-104.8	24.1	0	0	0	113.8	L1076 I1080	L1076-N1078 PolarHBondContact O-N 2.88Å; N1078-I1080 WeakPolarHBondContact ND2-CD1 3.3Å; N1078-I1080 WeakPolarHBondContact ND2-CG1 3.4Å; N1078-I1080 PolarHBondContact O-N 3.07Å
1079	T	31.8	Very low	31	Very low	115.2 Å²	115.2	131.5 Å²	131.5	71%	0.707	73%	0.726	S	S	*	*			cis	-137.6	133.7	44.4	25.2	0	0	0	0	110.6	F1077	F1077-T1079 PolarHBondContact O-N 2.61Å
1080	I	32.1	Very low	30.6	Very low	134.4 Å²	134.4	130.7 Å²	130.7	69%	0.689	73%	0.727	S	S	*	*				69.5	119.4	127.4	-65.1	174.8	0	0	0	114.9	N1078	N1078-I1080 WeakPolarHBondContact ND2-CD1 3.3Å; N1078-I1080 WeakPolarHBondContact ND2-CG1 3.4Å; N1078-I1080 PolarHBondContact O-N 3.07Å
1081	D	31.4	Very low	30.4	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	73%	0.732	S	S	*	*			trans	-157.3	140.4	133.9	-95.1	-24.7	0	0	0	113.7	K446 N1083	K446-D1081 VanDerWaalsContact NZ-C 3.32Å; K446-D1081 PolarHBondContact NZ-O 3.25Å; D1081-N1083 PolarHBondContact O-N 3.35Å
1082	S	31.1	Very low	30.2	Very low	90 Å²	90	135.2 Å²	135.2	63%	0.629	74%	0.739	S	S	*	*			trans	171.5	114.3	162.3	-28.5	0	0	0	0	114
1083	N	30.4	Very low	30.1	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	74%	0.736	S	S	*	*			trans	103.4	103.5	148.2	-73.5	-17.9	0	0	0	116.9	D1081	D1081-N1083 PolarHBondContact O-N 3.35Å
1084	S	31.6	Very low	30	Very low	111.2 Å²	111.2	138.5 Å²	138.5	78%	0.778	74%	0.74	S	S	*	*				-174.6	119	109.4	54.7	0	0	0	0	110
1085	T	29.9	Very low	30	Very low	133.6 Å²	133.6	142.3 Å²	142.3	82%	0.82	75%	0.747	S	S	*	*			trans	-107.9	103.2	137.2	45.3	0	0	0	0	111.5	C1087	T1085-C1087 PolarHBondContact O-N 2.87Å
1086	E	29.4	Very low	29.9	Very low	183.6 Å²	183.6	140 Å²	140	86%	0.858	75%	0.748	S	S	*	*			trans	-155.5	152	142.7	-148.4	176.1	171.9	0	0	111.5
1087	C	27.1	Very low	29.9	Very low	113.4 Å²	113.4	146 Å²	146	77%	0.766	76%	0.764	S	S	*	*			trans	104.6	106.8	176.9	-77.1	0	0	0	0	112.9	T1085	T1085-C1087 PolarHBondContact O-N 2.87Å
1088	Q	29.3	Very low	29.7	Very low	181.4 Å²	181.4	142.9 Å²	142.9	85%	0.848	76%	0.763	S	S	*	*				-14.7	144.8	128.1	-105.6	165.3	-49.3	0	0	114.3
1089	E	27.9	Very low	29.7	Very low	160.2 Å²	160.2	142.4 Å²	142.4	75%	0.749	77%	0.765	S	S	*	*			trans	114.4	138.2	142.7	-87.3	-167.6	146.2	0	0	114.8
1090	L	27.9	Very low	29.8	Very low	141.8 Å²	141.8	143.4 Å²	143.4	74%	0.742	77%	0.77	S	S	*	*				68.2	117.9	113.6	-66.8	168.1	0	0	0	114.9
1091	Q	28.9	Very low	29.7	Very low	167.6 Å²	167.6	140.2 Å²	140.2	78%	0.783	77%	0.77	S	S	*	*				-156.5	136.1	96	-97.8	168.6	13.6	0	0	114.6	S1093	Q1091-S1093 PolarHBondContact O-N 3.35Å
1092	S	27.1	Very low	29.7	Very low	118.2 Å²	118.2	140.6 Å²	140.6	83%	0.827	78%	0.778	S	S	*	*				46.7	81.7	127.5	-55.8	0	0	0	0	118
1093	S	27.7	Very low	29.7	Very low	100.6 Å²	100.6	139.8 Å²	139.8	70%	0.703	78%	0.783	S	S	*	*			trans	-155.4	145.1	145.3	59.3	0	0	0	0	108.7	Q1091	Q1091-S1093 PolarHBondContact O-N 3.35Å
1094	M	30	Very low	29.7	Very low	157.6 Å²	157.6	136.4 Å²	136.4	78%	0.776	79%	0.786	S	S	*	*			cis	-141.4	128	10.7	-72.4	174	-136.4	0	0	110.1	Y1929	M1094-Y1929 HydrophobicContact CE-CD1 4.29Å; M1094-Y1929 HydrophobicContact CE-CE1 3.47Å; M1094-Y1929 VanDerWaalsContact CE-CE1 3.47Å; M1094-Y1929 HydrophobicContact SD-CE1 3.9Å
1095	Y	31.2	Very low	29.7	Very low	214.4 Å²	214.4	134.8 Å²	134.8	84%	0.841	79%	0.787	S	S	*	*				144.8	127	124.5	-91.3	-78.6	0	0	0	111	R1097	Y1095-R1097 HydrophobicContact CD1-CB 4.33Å
1096	D	28.5	Very low	29.7	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	79%	0.786	S	S	*	*				15.1	118.8	125.8	-131.7	-13.2	0	0	0	115.2
1097	R	30.1	Very low	29.6	Very low	222.8 Å²	222.8	130.8 Å²	130.8	84%	0.841	78%	0.783	S	S	*	*			trans	-178.4	118.4	147.9	-148.6	176.1	-177.6	162.5	0.8	114.4	Y1095	Y1095-R1097 HydrophobicContact CD1-CB 4.33Å
1098	S	29.7	Very low	29.7	Very low	97.8 Å²	97.8	130 Å²	130	68%	0.684	78%	0.779	S	S	*	*			trans	-142.2	145.4	168.5	-70.2	0	0	0	0	110.1
1099	T	31.6	Very low	29.9	Very low	117.6 Å²	117.6	125.8 Å²	125.8	72%	0.721	77%	0.769	S	S	*	*				160.3	139.9	117.2	39.8	0	0	0	0	115.1
1100	V	32.3	Very low	30.1	Very low	136 Å²	136	124.6 Å²	124.6	82%	0.824	76%	0.763	S	S	*	*			trans	49.1	126.7	151.9	-167.2	0	0	0	0	117.4
1101	G	29.8	Very low	30.4	Very low	67 Å²	67	122.7 Å²	122.7	69%	0.691	75%	0.754	S	S	*	*			trans	144.6	124	148.4	0	0	0	0	0	115.3
1102	V	32.7	Very low	30.6	Very low	149.4 Å²	149.4	122.4 Å²	122.4	91%	0.905	75%	0.75	S	S	*	*			trans	55.7	139.8	175.9	-174.5	0	0	0	0	113.1
1103	G	30.6	Very low	30.9	Very low	72.2 Å²	72.2	122 Å²	122	74%	0.744	75%	0.747	S	S	*	*				110.4	131	123.3	0	0	0	0	0	113.4
1104	G	30.8	Very low	31.1	Very low	86 Å²	86	120.5 Å²	120.5	89%	0.887	75%	0.748	S	S	*	*			trans	124.3	150	-177.3	0	0	0	0	0	113.3
1105	G	30.7	Very low	31.4	Very low	77.6 Å²	77.6	123.1 Å²	123.1	80%	0.8	75%	0.75	S	S	*	*			trans	153	133.6	-168.9	0	0	0	0	0	113
1106	S	30.3	Very low	31.5	Very low	114.4 Å²	114.4	118.1 Å²	118.1	80%	0.8	74%	0.738	S	S	*	*			trans	-77.6	149.1	179.8	-16.6	0	0	0	0	115.2
1107	C	26.8	Very low	31.7	Very low	117.4 Å²	117.4	120.9 Å²	120.9	79%	0.793	74%	0.739	S	S	*	*			trans	119.8	132.9	147.3	-61.1	0	0	0	0	114.8
1108	S	30	Very low	31.9	Very low	97.4 Å²	97.4	117.5 Å²	117.5	68%	0.681	73%	0.732	S	S	*	*				110.2	129.7	110.4	-18.8	0	0	0	0	117.6
1109	S	33	Very low	32	Very low	92.2 Å²	92.2	119 Å²	119	65%	0.645	73%	0.732	S	S	*	*			trans	66.9	144.6	145	-11.9	0	0	0	0	119.8
1110	H	32.5	Very low	32	Very low	136.2 Å²	136.2	122.9 Å²	122.9	63%	0.631	73%	0.734	S	S	*	*			trans	114	137.6	133.8	-114	-89.5	0	0	0	117.7
1111	D	33.2	Very low	32	Very low	100.8 Å²	100.8	123 Å²	123	54%	0.539	73%	0.729	S	S	.	*			trans	48	159.2	148.8	-59.4	-41.7	0	0	0	119.7
1112	K	33.8	Very low	32.1	Very low	161.4 Å²	161.4	126.2 Å²	126.2	70%	0.702	73%	0.726	S	S	*	*			cis	-164.5	144	-4.3	-114.6	168.9	-166.6	114.2	0	111.3
1113	S	33.2	Very low	32.2	Very low	111 Å²	111	126 Å²	126	78%	0.776	71%	0.714	S	S	*	*			trans	50	134.3	134.7	74.5	0	0	0	0	118.8
1114	G	33.1	Very low	32.4	Very low	68.4 Å²	68.4	128 Å²	128	71%	0.705	71%	0.708	S	S	*	*				133.5	141.8	116.9	0	0	0	0	0	114.6
1115	Y	34.4	Very low	32.6	Very low	212 Å²	212	130.1 Å²	130.1	83%	0.831	70%	0.699	S	S	*	*			trans	142	146.3	140.3	-95	-93.3	0	0	0	115.1
1116	D	34.6	Very low	32.7	Very low	109 Å²	109	132.7 Å²	132.7	58%	0.583	70%	0.695	S	S	*	*			trans	67.4	147.3	130.5	-103.1	-12.7	0	0	0	118.6
1117	R	32.8	Very low	33	Very low	192.4 Å²	192.4	134.8 Å²	134.8	73%	0.726	69%	0.692	S	S	*	*				106.9	149.1	74.2	-92.8	172	-165.1	-176.2	0.5	114
1118	H	35	Very low	33.3	Very low	151.6 Å²	151.6	135.8 Å²	135.8	70%	0.702	69%	0.689	S	S	*	*				171.8	138.9	93.1	-102.4	-63.3	0	0	0	116.6
1119	N	31.8	Very low	33.5	Very low	128.4 Å²	128.4	134.2 Å²	134.2	69%	0.687	69%	0.689	S	S	*	*			trans	77	141.1	139.2	-80.2	-15	0	0	0	116.1
1120	R	31.2	Very low	33.7	Very low	200.4 Å²	200.4	135.9 Å²	135.9	76%	0.756	69%	0.691	S	S	*	*			cis	-174.8	145.7	28.8	-129	-175.8	-133	-168.2	-1.6	110.8
1121	L	31	Very low	33.9	Very low	136.8 Å²	136.8	135.2 Å²	135.2	72%	0.716	69%	0.691	S	S	*	*			trans	75	146.3	148.1	-71.6	168.4	0	0	0	115.6
1122	H	32.9	Very low	33.9	Very low	136 Å²	136	136.6 Å²	136.6	63%	0.63	69%	0.694	S	S	*	*				-177.5	149.8	84.3	-91.7	-80	0	0	0	111.3	D1124	H1122-D1124 IonicContact ND1-OD2 2.71Å
1123	H	34.8	Very low	33.9	Very low	143.4 Å²	143.4	134.3 Å²	134.3	66%	0.664	69%	0.69	S	S	*	*				170.4	133.8	78.2	-88.9	-68.9	0	0	0	116.1
1124	D	34.8	Very low	34	Very low	114.4 Å²	114.4	136 Å²	136	61%	0.612	69%	0.686	S	S	*	*				67.2	131.6	116.7	-59.6	-2.2	0	0	0	121.3	H1122	H1122-D1124 IonicContact ND1-OD2 2.71Å
1125	N	35.1	Very low	34	Very low	131.6 Å²	131.6	139.4 Å²	139.4	70%	0.704	68%	0.683	S	S	*	*				119.2	122.5	106.4	-79.8	-36.3	0	0	0	117.2
1126	N	32.3	Very low	33.9	Very low	132 Å²	132	135 Å²	135	71%	0.706	68%	0.682	S	S	*	*				66.6	151.6	125.8	-97.6	-2.2	0	0	0	116.4
1127	Q	36.5	Very low	33.7	Very low	157.4 Å²	157.4	133.6 Å²	133.6	74%	0.736	68%	0.681	S	S	*	*			trans	178	134.1	136	-88.5	172.6	-8.9	0	0	113	M1608	Q1127-M1608 WeakPolarHBondContact O-CE 3.48Å
1128	N	33.6	Very low	33.6	Very low	138.2 Å²	138.2	134 Å²	134	74%	0.739	68%	0.683	S	S	*	*			trans	24.3	138.6	141.9	-61.7	-3.5	0	0	0	116.8	M1608 D1609 N1610	N1128-M1608 HydrophobicContact CB-CB 3.4Å; N1128-M1608 VanDerWaalsContact CB-CB 3.4Å; N1128-M1608 HydrophobicContact CB-CG 3.44Å; N1128-M1608 VanDerWaalsContact CB-CG 3.44Å; N1128-M1608 HydrophobicContact CB-SD 3.69Å; N1128-M1608 PolarHBondContact ND2-O 3.28Å; N1128-D1609 VanDerWaalsContact CA-CB 3.43Å; N1128-D1609 HydrophobicContact CB-CB 3.35Å; N1128-D1609 WeakPolarHBondContact ND2-CB 3.11Å; N1128-N1610 PolarHBondContact OD1-ND2 3.14Å
1129	G	35	Very low	33.3	Very low	65.6 Å²	65.6	137.7 Å²	137.7	68%	0.676	69%	0.69	S	S	*	*			trans	-167	81.4	178.5	0	0	0	0	0	114	T1607 M1608 D1609	G1129-T1607 CarbonylContact O-C 3.34Å; G1129-T1607 WeakPolarHBondContact O-CA 2.92Å; G1129-T1607 WeakPolarHBondContact O-CB 3.35Å; G1129-T1607 WeakPolarHBondContact O-CG2 3.19Å; G1129-M1608 WeakPolarHBondContact O-CA 3.35Å; G1129-M1608 PolarHBondContact O-N 2.95Å; G1129-D1609 PolarHBondContact N-OD1 3Å
1130	D	36.5	Very low	33.3	Very low	127.6 Å²	127.6	137.1 Å²	137.1	68%	0.682	69%	0.691	S	S	*	*			trans	19.6	136.5	173.9	-93.7	11.6	0	0	0	120	D1609	D1130-D1609 WeakPolarHBondContact OD1-CA 3.11Å
1131	N	35.4	Very low	33.2	Very low	120 Å²	120	138.4 Å²	138.4	64%	0.642	70%	0.696	S	S	*	*			trans	89.9	118.9	139.6	-66	-34.1	0	0	0	120.8	R1177	N1131-R1177 PolarHBondContact O-NH2 2.58Å
1132	Q	35	Very low	33.1	Very low	130.2 Å²	130.2	136.8 Å²	136.8	61%	0.608	70%	0.696	S	S	*	*			cis	123.3	145.2	44.9	-89.4	-172.5	-3	0	0	116.6	H1155 N1156 R1177 R1178 Q1180	Q1132-H1155 WeakPolarHBondContact O-CB 3.37Å; Q1132-N1156 WeakPolarHBondContact O-CB 3.48Å; Q1132-N1156 PolarHBondContact O-N 2.78Å; Q1132-R1177 PolarHBondContact O-NH1 2.88Å; Q1132-R1177 PolarHBondContact O-NH2 3.17Å; Q1132-R1178 VanDerWaalsContact C-CZ 3.41Å; Q1132-R1178 VanDerWaalsContact C-NH1 3.28Å; Q1132-R1178 WeakPolarHBondContact O-CD 3.28Å; Q1132-R1178 VanDerWaalsContact O-CZ 3.26Å; Q1132-R1178 PolarHBondContact O-NE 3.15Å; Q1132-R1178 PolarHBondContact O-NH1 3.29Å; Q1132-Q1180 VanDerWaalsContact NE2-OE1 3.1Å
1133	D	33.5	Very low	33.1	Very low	114 Å²	114	141.4 Å²	141.4	61%	0.61	71%	0.708	S	S	*	*			trans	113.6	169	134.8	-108.7	-11.1	0	0	0	117.6	H1155 N1156 H1157 R1178 K1179 Q1180	D1133-H1155 VanDerWaalsContact N-CG 3.34Å; D1133-H1155 PolarHBondContact N-ND1 3.47Å; D1133-N1156 HydrophobicContact CB-CB 3.8Å; D1133-N1156 WeakPolarHBondContact CB-ND2 3.36Å; D1133-N1156 PolarHBondContact O-ND2 2.9Å; D1133-N1156 PolarHBondContact OD2-ND2 3.34Å; D1133-H1157 IonicContact OD2-CE1 2.73Å; D1133-H1157 IonicContact OD2-ND1 2.68Å; D1133-H1157 PolarHBondContact OD2-ND1 2.99Å; D1133-R1178 PolarHBondContact O-NE 3.29Å; D1133-R1178 PolarHBondContact O-NH2 2.99Å; D1133-K1179 WeakPolarHBondContact CB-O 3.37Å; D1133-K1179 WeakPolarHBondContact OD1-CE 3.17Å; D1133-K1179 IonicContact OD1-NZ 2.74Å; D1133-K1179 PolarHBondContact OD1-NZ 3.25Å; D1133-K1179 WeakPolarHBondContact OD2-CE 3.3Å; D1133-K1179 IonicContact OD2-NZ 2.76Å; D1133-K1179 PolarHBondContact OD2-NZ 2.69Å; D1133-Q1180 PolarHBondContact OD2-NE2 2.71Å
1134	E	35.4	Very low	33	Very low	146.8 Å²	146.8	141 Å²	141	69%	0.686	72%	0.716	S	S	*	*			trans	-167	158.9	156.3	-125.3	-133.7	173.6	0	0	117.1	C1154 H1155 N1156 R1177 R1178 K1179	E1134-C1154 HydrophobicContact CB-CB 4.06Å; E1134-H1155 VanDerWaalsContact CB-CA 3.46Å; E1134-H1155 HydrophobicContact CB-CB 4.06Å; E1134-H1155 VanDerWaalsContact N-CB 3.28Å; E1134-H1155 PolarHBondContact N-ND1 3.13Å; E1134-N1156 HydrophobicContact CB-CB 3.63Å; E1134-N1156 HydrophobicContact CG-CB 4.16Å; E1134-N1156 WeakPolarHBondContact CG-OD1 3.04Å; E1134-R1177 WeakPolarHBondContact OE2-CA 3.11Å; E1134-R1177 PolarHBondContact OE2-N 2.88Å; E1134-R1178 HydrophobicContact CB-CB 4.41Å; E1134-R1178 HydrophobicContact CB-CG 3.5Å; E1134-R1178 HydrophobicContact CG-CG 4.32Å; E1134-R1178 WeakPolarHBondContact OE1-CA 3.46Å; E1134-R1178 PolarHBondContact OE1-N 2.83Å; E1134-K1179 HydrophobicContact CB-CB 4.46Å
1135	E	33.5	Very low	32.9	Very low	139 Å²	139	139.1 Å²	139.1	65%	0.65	72%	0.723	S	S	*	*			trans	-141.1	135.7	-176.3	-170	174.6	-174.2	0	0	115.6	S1137 R1138 K1179	E1135-S1137 VanDerWaalsContact CG-CB 3.41Å; E1135-S1137 PolarHBondContact O-N 3.36Å; E1135-S1137 WeakPolarHBondContact OE1-CB 3.04Å; E1135-R1138 VanDerWaalsContact CD-CZ 3.46Å; E1135-R1138 IonicContact OE1-CZ 2.88Å; E1135-R1138 IonicContact OE1-NE 3.32Å; E1135-R1138 PolarHBondContact OE1-NE 2.98Å; E1135-R1138 IonicContact OE1-NH1 3.1Å; E1135-R1138 IonicContact OE1-NH2 2.77Å; E1135-R1138 PolarHBondContact OE1-NH2 3.2Å; E1135-R1138 IonicContact OE2-CZ 3.04Å; E1135-R1138 IonicContact OE2-NH1 2.71Å; E1135-R1138 PolarHBondContact OE2-NH1 2.78Å; E1135-R1138 IonicContact OE2-NH2 2.68Å; E1135-R1138 PolarHBondContact OE2-NH2 3.05Å; E1135-K1179 HydrophobicContact CB-CG 4.32Å; E1135-K1179 WeakPolarHBondContact OE2-CD 3.46Å; E1135-K1179 WeakPolarHBondContact OE2-CE 3.48Å; E1135-K1179 WeakPolarHBondContact OE2-CG 3.23Å; E1135-K1179 IonicContact OE2-NZ 2.62Å
1136	C	30.6	Very low	32.8	Very low	119.2 Å²	119.2	140.5 Å²	140.5	81%	0.805	73%	0.73	S	S	*	*			trans	-166.9	103.9	149.1	-156.6	0	0	0	0	115.9
1137	S	31.1	Very low	32.9	Very low	81.4 Å²	81.4	138.2 Å²	138.2	57%	0.569	73%	0.725	S	S	*	*			trans	-171.7	145.3	159.7	-110.9	0	0	0	0	116.9	E1135	E1135-S1137 VanDerWaalsContact CG-CB 3.41Å; E1135-S1137 PolarHBondContact O-N 3.36Å; E1135-S1137 WeakPolarHBondContact OE1-CB 3.04Å
1138	R	30.6	Very low	32.9	Very low	200.8 Å²	200.8	141.4 Å²	141.4	76%	0.758	73%	0.73	S	S	*	*			trans	80.3	130.5	152.1	-63.4	148.4	-168.2	169.7	7.3	115.3	E1135	E1135-R1138 VanDerWaalsContact CD-CZ 3.46Å; E1135-R1138 IonicContact OE1-CZ 2.88Å; E1135-R1138 IonicContact OE1-NE 3.32Å; E1135-R1138 PolarHBondContact OE1-NE 2.98Å; E1135-R1138 IonicContact OE1-NH1 3.1Å; E1135-R1138 IonicContact OE1-NH2 2.77Å; E1135-R1138 PolarHBondContact OE1-NH2 3.2Å; E1135-R1138 IonicContact OE2-CZ 3.04Å; E1135-R1138 IonicContact OE2-NH1 2.71Å; E1135-R1138 PolarHBondContact OE2-NH1 2.78Å; E1135-R1138 IonicContact OE2-NH2 2.68Å; E1135-R1138 PolarHBondContact OE2-NH2 3.05Å
1139	R	29.2	Very low	32.9	Very low	228 Å²	228	141.6 Å²	141.6	86%	0.86	73%	0.731	S	S	*	*				106.9	136.8	80.5	-79.9	176	-177.3	164.3	2.5	115.4
1140	V	31.2	Very low	32.9	Very low	115.8 Å²	115.8	146.1 Å²	146.1	70%	0.702	73%	0.732	S	S	*	*			trans	107.7	124.4	144.7	161.6	0	0	0	0	115.7
1141	R	29.7	Very low	32.8	Very low	228.2 Å²	228.2	145.5 Å²	145.5	86%	0.861	73%	0.729	S	S	*	*			trans	49.8	142.3	138.5	-77.1	171.7	-176.5	147.2	-2.4	118.3
1142	S	29.6	Very low	32.7	Very low	103.8 Å²	103.8	146.7 Å²	146.7	73%	0.726	74%	0.735	S	S	*	*				-130.8	147.2	96.5	54.5	0	0	0	0	115.2
1143	R	31.3	Very low	32.6	Very low	232.2 Å²	232.2	148.1 Å²	148.1	88%	0.876	74%	0.741	S	S	*	*			trans	-149.7	132.9	143.4	-104.2	178.2	177.8	175.6	-1.6	113
1144	T	33.3	Very low	32.3	Very low	135.2 Å²	135.2	147.5 Å²	147.5	83%	0.829	75%	0.745	S	S	*	*			trans	-170.8	137.8	153.3	39.8	0	0	0	0	112
1145	G	32.5	Very low	32.1	Very low	73.2 Å²	73.2	147.6 Å²	147.6	76%	0.755	75%	0.745	S	S	*	*				-178.7	150.2	122.2	0	0	0	0	0	113.6
1146	N	33.8	Very low	32.1	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	74%	0.743	S	S	*	*			trans	-173.2	146.1	142.2	-118.2	1.2	0	0	0	115
1147	S	34.7	Very low	32.2	Very low	85.2 Å²	85.2	147.4 Å²	147.4	60%	0.596	74%	0.736	S	S	*	*			trans	90	106.9	141.5	-167.3	0	0	0	0	118.4
1148	R	34.5	Very low	32.3	Very low	223 Å²	223	150.3 Å²	150.3	84%	0.842	74%	0.74	S	S	*	*				88.3	133.1	127.2	-71.7	169.8	-179.2	166.8	-0.9	117.5
1149	N	34.8	Very low	32.4	Very low	143 Å²	143	149.5 Å²	149.5	77%	0.765	74%	0.737	S	S	*	*			trans	69.1	140.5	132.7	-85.2	8.9	0	0	0	118.8
1150	K	34.1	Very low	32.6	Very low	160.2 Å²	160.2	147.3 Å²	147.3	70%	0.697	73%	0.729	S	S	*	*				127.8	144.6	115.8	-86.4	-178.3	159.7	-99.7	0	113.5
1151	D	34.8	Very low	32.8	Very low	114.8 Å²	114.8	148.2 Å²	148.2	61%	0.614	73%	0.725	S	S	*	*				84	149.6	90.9	-66.8	-19	0	0	0	115.8
1152	L	33.9	Very low	33.1	Very low	146.4 Å²	146.4	143.7 Å²	143.7	77%	0.766	71%	0.714	S	S	*	*			trans	147.6	163.4	137.7	-116.3	68.7	0	0	0	115.4
1153	E	31.8	Very low	33.4	Very low	158.8 Å²	158.8	145.1 Å²	145.1	74%	0.742	71%	0.708	S	S	*	*			trans	74.8	154.2	147.2	-112.6	123.5	176	0	0	119.9	H1155	E1153-H1155 WeakPolarHBondContact CG-NE2 3.31Å
1154	C	27.5	Very low	33.7	Very low	101.2 Å²	101.2	140.4 Å²	140.4	68%	0.684	70%	0.696	S	S	*	*			trans	43.8	165.2	159.8	-65.7	0	0	0	0	120.3	E1134	E1134-C1154 HydrophobicContact CB-CB 4.06Å
1155	H	32.8	Very low	33.8	Very low	149.6 Å²	149.6	140.3 Å²	140.3	69%	0.693	69%	0.686	S	S	*	*			trans	115.5	129.3	137.6	-80.3	-66.8	0	0	0	117.6	Q1132 D1133 E1134 E1153	Q1132-H1155 WeakPolarHBondContact O-CB 3.37Å; D1133-H1155 VanDerWaalsContact N-CG 3.34Å; D1133-H1155 PolarHBondContact N-ND1 3.47Å; E1134-H1155 VanDerWaalsContact CB-CA 3.46Å; E1134-H1155 HydrophobicContact CB-CB 4.06Å; E1134-H1155 VanDerWaalsContact N-CB 3.28Å; E1134-H1155 PolarHBondContact N-ND1 3.13Å; E1153-H1155 WeakPolarHBondContact CG-NE2 3.31Å
1156	N	32.8	Very low	33.9	Very low	114.6 Å²	114.6	143.7 Å²	143.7	61%	0.613	68%	0.682	S	S	*	*				74.9	146.1	122.9	-103.4	-1.8	0	0	0	121	Q1132 D1133 E1134	Q1132-N1156 WeakPolarHBondContact O-CB 3.48Å; Q1132-N1156 PolarHBondContact O-N 2.78Å; D1133-N1156 HydrophobicContact CB-CB 3.8Å; D1133-N1156 WeakPolarHBondContact CB-ND2 3.36Å; D1133-N1156 PolarHBondContact O-ND2 2.9Å; D1133-N1156 PolarHBondContact OD2-ND2 3.34Å; E1134-N1156 HydrophobicContact CB-CB 3.63Å; E1134-N1156 HydrophobicContact CG-CB 4.16Å; E1134-N1156 WeakPolarHBondContact CG-OD1 3.04Å
1157	H	33.1	Very low	34.1	Very low	139 Å²	139	143.5 Å²	143.5	64%	0.644	68%	0.675	S	S	*	*			trans	75.5	113.9	140.9	-91.6	-46.3	0	0	0	122.4	D1133	D1133-H1157 IonicContact OD2-CE1 2.73Å; D1133-H1157 IonicContact OD2-ND1 2.68Å; D1133-H1157 PolarHBondContact OD2-ND1 2.99Å
1158	H	33.4	Very low	34	Very low	141.6 Å²	141.6	143.8 Å²	143.8	66%	0.656	68%	0.678	S	S	*	*				92.2	138.8	121.7	-105.4	-16.9	0	0	0	120.2
1159	R	32.3	Very low	33.9	Very low	184 Å²	184	138.7 Å²	138.7	69%	0.694	67%	0.671	S	S	*	*			trans	79.1	124.1	130.4	-87.1	-178	-174.3	-167.2	4.8	118.6
1160	R	32.8	Very low	33.9	Very low	182.4 Å²	182.4	138.6 Å²	138.6	69%	0.688	67%	0.666	S	S	*	*				147.4	151.6	87.3	-99.7	172.2	-178	-163.7	2	114.1	S1066	S1066-R1160 PolarHBondContact OG-NH2 2.97Å
1161	H	35.7	Very low	33.8	Very low	135 Å²	135	136.4 Å²	136.4	63%	0.625	66%	0.661	S	S	*	*			trans	87.5	152.3	139.5	-79.6	-51.6	0	0	0	117.3
1162	H	35.8	Very low	33.7	Very low	134 Å²	134	136.4 Å²	136.4	62%	0.62	66%	0.662	S	S	*	*			cis	161.2	154.9	25.1	-99.3	-56	0	0	0	114.5
1163	H	36.4	Very low	33.6	Very low	132.8 Å²	132.8	136.5 Å²	136.5	62%	0.615	66%	0.658	S	S	*	*				109.1	146.9	104.4	-88.2	-50.3	0	0	0	116.4
1164	H	36.2	Very low	33.7	Very low	133.4 Å²	133.4	133 Å²	133	62%	0.618	65%	0.651	S	S	*	*				108.2	154.1	87.7	-90.9	-51.9	0	0	0	116.7
1165	H	35.6	Very low	33.9	Very low	133.2 Å²	133.2	136.1 Å²	136.1	62%	0.617	65%	0.653	S	S	*	*			cis	157.9	143.4	17.2	-101.9	-51.4	0	0	0	115.4	H1167	H1165-H1167 AromaticContact ND1-CD2 4Å
1166	H	35.6	Very low	34	Very low	144 Å²	144	136.5 Å²	136.5	67%	0.667	66%	0.655	S	S	*	*				66.8	131.9	106	-103.7	-75.8	0	0	0	120.6
1167	H	36.5	Very low	34	Very low	156.4 Å²	156.4	139.7 Å²	139.7	72%	0.724	66%	0.658	S	S	*	*			trans	98.6	142.8	135.6	-90.7	-85.7	0	0	0	118.2	H1165	H1165-H1167 AromaticContact ND1-CD2 4Å
1168	S	32.7	Very low	34	Very low	92.8 Å²	92.8	141.8 Å²	141.8	65%	0.649	66%	0.66	S	S	*	*			cis	101.5	160.1	39.9	-132.6	0	0	0	0	114.6
1169	V	33.3	Very low	34	Very low	116.4 Å²	116.4	141.4 Å²	141.4	71%	0.705	66%	0.657	S	S	*	*				117.6	132.8	120.9	171.6	0	0	0	0	115.2
1170	H	34.3	Very low	34.2	Very low	140 Å²	140	138.1 Å²	138.1	65%	0.648	65%	0.649	S	S	*	*				94.1	157.3	128.6	-96.3	-70	0	0	0	118.5	N1351	H1170-N1351 PolarHBondContact CD2-ND2 2.04Å; H1170-N1351 PolarHBondContact CE1-ND2 3.34Å; H1170-N1351 PolarHBondContact NE2-ND2 2.81Å
1171	N	32.8	Very low	34.3	Very low	113.4 Å²	113.4	136 Å²	136	61%	0.606	65%	0.647	S	S	*	*			trans	85.3	131.9	130.6	-83	6.1	0	0	0	121.3	S1350	N1171-S1350 PolarHBondContact ND2-OG 3.44Å
1172	N	33.2	Very low	34.2	Very low	115.8 Å²	115.8	135.3 Å²	135.3	62%	0.619	65%	0.648	S	S	*	*				92.8	140.9	110.7	-78.9	13.6	0	0	0	121
1173	E	31.8	Very low	34.2	Very low	148 Å²	148	139.1 Å²	139.1	69%	0.692	66%	0.657	S	S	*	*			trans	81.9	125.6	133.1	-84.2	-168.3	100.6	0	0	120.3	K1175	E1173-K1175 IonicContact OE1-NZ 3.21Å; E1173-K1175 PolarHBondContact OE1-NZ 2.77Å; E1173-K1175 IonicContact OE2-NZ 2.64Å
1174	S	32.8	Very low	34	Very low	84.6 Å²	84.6	140.1 Å²	140.1	59%	0.592	67%	0.667	S	S	*	*				85.5	130.2	100.4	-76.5	0	0	0	0	120.8
1175	K	32.8	Very low	33.8	Very low	167.6 Å²	167.6	137.3 Å²	137.3	73%	0.729	67%	0.674	S	S	*	*			trans	84.2	132.5	143.6	-64.5	160.7	-174.3	154.4	0	119.1	E1173	E1173-K1175 IonicContact OE1-NZ 3.21Å; E1173-K1175 PolarHBondContact OE1-NZ 2.77Å; E1173-K1175 IonicContact OE2-NZ 2.64Å
1176	H	34.2	Very low	33.7	Very low	156.8 Å²	156.8	136.6 Å²	136.6	73%	0.726	68%	0.683	S	S	*	*				118.9	143.4	120.2	-84.8	-19.8	0	0	0	117.4
1177	R	33.6	Very low	33.5	Very low	181.6 Å²	181.6	135.1 Å²	135.1	69%	0.685	69%	0.689	S	S	*	*			trans	90.1	130.4	139.3	-83.5	-177.2	173.5	-172.3	-2.1	117.7	K1068 N1131 Q1132 E1134	K1068-R1177 WeakPolarHBondContact CD-O 3.08Å; K1068-R1177 WeakPolarHBondContact CE-O 3.41Å; K1068-R1177 PolarHBondContact NZ-O 2.94Å; N1131-R1177 PolarHBondContact O-NH2 2.58Å; Q1132-R1177 PolarHBondContact O-NH1 2.88Å; Q1132-R1177 PolarHBondContact O-NH2 3.17Å; E1134-R1177 WeakPolarHBondContact OE2-CA 3.11Å; E1134-R1177 PolarHBondContact OE2-N 2.88Å
1178	R	33.1	Very low	33.4	Very low	183.2 Å²	183.2	132.5 Å²	132.5	69%	0.691	69%	0.689	S	S	*	*				80.3	137.4	96.7	-96.5	172.7	175	-170.9	0.4	118.1	K1068 H1069 Q1132 D1133 E1134	K1068-R1178 CarbonylContact C-O 3.52Å; K1068-R1178 WeakPolarHBondContact CB-O 3.28Å; K1068-R1178 WeakPolarHBondContact CG-O 3.39Å; H1069-R1178 PolarHBondContact CE1-NH1 3.01Å; H1069-R1178 VanDerWaalsContact CE1-NH1 3.35Å; H1069-R1178 PolarHBondContact N-O 3.42Å; H1069-R1178 PolarHBondContact NE2-NH1 3.01Å; Q1132-R1178 VanDerWaalsContact C-CZ 3.41Å; Q1132-R1178 VanDerWaalsContact C-NH1 3.28Å; Q1132-R1178 WeakPolarHBondContact O-CD 3.28Å; Q1132-R1178 VanDerWaalsContact O-CZ 3.26Å; Q1132-R1178 PolarHBondContact O-NE 3.15Å; Q1132-R1178 PolarHBondContact O-NH1 3.29Å; D1133-R1178 PolarHBondContact O-NE 3.29Å; D1133-R1178 PolarHBondContact O-NH2 2.99Å; E1134-R1178 HydrophobicContact CB-CB 4.41Å; E1134-R1178 HydrophobicContact CB-CG 3.5Å; E1134-R1178 HydrophobicContact CG-CG 4.32Å; E1134-R1178 WeakPolarHBondContact OE1-CA 3.46Å; E1134-R1178 PolarHBondContact OE1-N 2.83Å
1179	K	33.5	Very low	33.3	Very low	133 Å²	133	135.2 Å²	135.2	58%	0.578	70%	0.696	S	S	*	*				162.3	155.7	112.6	-144.6	-167.4	-179.6	-162.5	0	116.9	K1068 H1069 N1070 D1133 E1134 E1135	K1068-K1179 CarbonylContact C-O 3.56Å; K1068-K1179 WeakPolarHBondContact CA-O 3.35Å; K1068-K1179 WeakPolarHBondContact CB-O 3.48Å; K1068-K1179 VanDerWaalsContact CG-O 3.29Å; K1068-K1179 WeakPolarHBondContact CG-O 3.19Å; H1069-K1179 PolarHBondContact N-O 3.27Å; H1069-K1179 CarbonylContact O-C 3.56Å; H1069-K1179 VanDerWaalsContact O-C 3.29Å; H1069-K1179 WeakPolarHBondContact O-CB 3.37Å; H1069-K1179 WeakPolarHBondContact O-CD 3.47Å; H1069-K1179 VanDerWaalsContact O-CG 3.23Å; H1069-K1179 WeakPolarHBondContact O-CG 3.37Å; N1070-K1179 HydrophobicContact CB-CD 4.39Å; N1070-K1179 HydrophobicContact CB-CG 4.32Å; N1070-K1179 VanDerWaalsContact O-CE 3.31Å; N1070-K1179 WeakPolarHBondContact O-CE 3.45Å; N1070-K1179 PolarHBondContact O-NZ 3.1Å; D1133-K1179 WeakPolarHBondContact CB-O 3.37Å; D1133-K1179 WeakPolarHBondContact OD1-CE 3.17Å; D1133-K1179 IonicContact OD1-NZ 2.74Å; D1133-K1179 PolarHBondContact OD1-NZ 3.25Å; D1133-K1179 WeakPolarHBondContact OD2-CE 3.3Å; D1133-K1179 IonicContact OD2-NZ 2.76Å; D1133-K1179 PolarHBondContact OD2-NZ 2.69Å; E1134-K1179 HydrophobicContact CB-CB 4.46Å; E1135-K1179 HydrophobicContact CB-CG 4.32Å; E1135-K1179 WeakPolarHBondContact OE2-CD 3.46Å; E1135-K1179 WeakPolarHBondContact OE2-CE 3.48Å; E1135-K1179 WeakPolarHBondContact OE2-CG 3.23Å; E1135-K1179 IonicContact OE2-NZ 2.62Å
1180	Q	35.1	Very low	33.3	Very low	115.4 Å²	115.4	134.4 Å²	134.4	54%	0.539	70%	0.696	S	S	.	*			trans	100.1	160.8	145.1	-105.2	163.8	-41.6	0	0	120.8	N1070 Q1132 D1133	N1070-Q1180 HydrophobicContact CB-CB 3.78Å; N1070-Q1180 HydrophobicContact CB-CG 3.81Å; N1070-Q1180 PolarHBondContact ND2-O 3.44Å; N1070-Q1180 VanDerWaalsContact ND2-O 3.07Å; Q1132-Q1180 VanDerWaalsContact NE2-OE1 3.1Å; D1133-Q1180 PolarHBondContact OD2-NE2 2.71Å
1181	H	36.4	Very low	33.2	Very low	139.2 Å²	139.2	136.8 Å²	136.8	64%	0.644	71%	0.707	S	S	*	*			trans	173.7	155.4	136.6	-89.8	-35.6	0	0	0	115	N1070	N1070-H1181 PolarHBondContact OD1-CE1 2.95Å
1182	N	33.1	Very low	33.1	Very low	119 Å²	119	134.8 Å²	134.8	64%	0.636	71%	0.713	S	S	*	*			cis	129	159.8	19.1	-113.5	0.2	0	0	0	114.6
1183	R	35.2	Very low	33.2	Very low	214.4 Å²	214.4	136.3 Å²	136.3	81%	0.809	72%	0.72	S	S	*	*				116.6	140.2	119.7	-91.5	173.7	-178.6	172.7	-1	116
1184	N	31.6	Very low	33.4	Very low	154.8 Å²	154.8	138.1 Å²	138.1	83%	0.828	73%	0.726	S	S	*	*				5.4	144	96.2	-73.3	6.6	0	0	0	115.8
1185	G	32.4	Very low	33.4	Very low	73.8 Å²	73.8	139.8 Å²	139.8	76%	0.761	73%	0.728	S	S	*	*			trans	161.2	106.9	152.9	0	0	0	0	0	114.5
1186	S	33.6	Very low	33.6	Very low	117.8 Å²	117.8	139.6 Å²	139.6	82%	0.824	73%	0.727	S	S	*	*			trans	-5.7	145.2	132.3	-56.3	0	0	0	0	116
1187	S	31.9	Very low	33.5	Very low	112.6 Å²	112.6	139.7 Å²	139.7	79%	0.787	73%	0.728	S	S	*	*				72.4	147.8	121.4	163.5	0	0	0	0	116.1
1188	S	34.6	Very low	33.4	Very low	101.6 Å²	101.6	138.6 Å²	138.6	71%	0.71	73%	0.731	S	S	*	*			cis	176.2	170	23.5	52.5	0	0	0	0	112.2
1189	N	29.6	Very low	33.2	Very low	149.4 Å²	149.4	136.2 Å²	136.2	80%	0.799	73%	0.731	S	S	*	*			trans	170.4	155	158.9	-92.7	-14	0	0	0	115.2
1190	S	33.2	Very low	33	Very low	101.2 Å²	101.2	133.7 Å²	133.7	71%	0.708	73%	0.73	S	S	*	*			trans	153	129.6	141	50.3	0	0	0	0	114
1191	H	32	Very low	33	Very low	189.6 Å²	189.6	138.6 Å²	138.6	88%	0.878	74%	0.744	S	S	*	*				66.7	126.6	118.9	-74	-81.2	0	0	0	116.2
1192	G	32.7	Very low	32.9	Very low	71.2 Å²	71.2	140.8 Å²	140.8	73%	0.734	75%	0.752	S	S	*	*			trans	176.1	138.2	135.1	0	0	0	0	0	112.2
1193	L	34.1	Very low	33	Very low	148.4 Å²	148.4	144 Å²	144	78%	0.777	76%	0.76	S	S	*	*				-142.2	145.5	54.2	-109.9	126.4	0	0	0	110.6
1194	K	35.2	Very low	33	Very low	185.4 Å²	185.4	142.2 Å²	142.2	81%	0.806	76%	0.758	S	S	*	*			trans	132	143.2	150.2	-84	172.8	-177.4	178.5	0	114.4
1195	D	34.4	Very low	33.1	Very low	119.2 Å²	119.2	141.2 Å²	141.2	64%	0.637	75%	0.752	S	S	*	*				176.7	148.1	61.6	-72.6	-40.4	0	0	0	111.7
1196	K	35.8	Very low	33.3	Very low	165 Å²	165	142.7 Å²	142.7	72%	0.717	74%	0.743	S	S	*	*				154.8	155.8	93.5	-86.9	168.8	-176.4	-142.8	0	111.2
1197	E	33	Very low	33.4	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.734	74%	0.741	S	S	*	*				57	148.2	67.2	-91.9	170.6	175.4	0	0	114.9
1198	E	30.3	Very low	33.6	Very low	159.8 Å²	159.8	149.8 Å²	149.8	75%	0.747	74%	0.738	S	S	*	*			cis	158	156.8	25.7	-142.9	172.3	149.2	0	0	115.4
1199	L	29.6	Very low	33.8	Very low	132 Å²	132	152 Å²	152	69%	0.691	74%	0.737	S	S	*	*			trans	35.2	151.1	149.7	-153.8	71.7	0	0	0	117.2
1200	S	30	Very low	34	Very low	81.8 Å²	81.8	153.2 Å²	153.2	57%	0.572	74%	0.736	S	S	*	*			trans	105	127	131.6	-94.2	0	0	0	0	118
1201	R	34.5	Very low	34.1	Very low	216.4 Å²	216.4	152.8 Å²	152.8	82%	0.817	73%	0.732	S	S	*	*				111.9	106.4	66.7	-74.1	167.6	-179	167.5	0.5	114.1
1202	K	34.8	Very low	34.2	Very low	186.6 Å²	186.6	148.9 Å²	148.9	81%	0.811	73%	0.726	S	S	*	*				110.6	122.1	110.8	-104.7	168.2	179.9	172.7	0	113
1203	K	35.3	Very low	34.2	Very low	186.8 Å²	186.8	150.2 Å²	150.2	81%	0.812	72%	0.724	S	S	*	*				129.3	130.1	80.4	-103	171.2	-179.3	179.6	0	111.2
1204	K	34.1	Very low	34.2	Very low	175.6 Å²	175.6	154 Å²	154	76%	0.763	73%	0.728	S	S	*	*				145.1	141	80	-101.9	-170.9	169.3	-169.9	0	112.1
1205	L	34.9	Very low	34.1	Very low	133.4 Å²	133.4	150.7 Å²	150.7	70%	0.698	72%	0.724	S	S	*	*				101.9	155.5	113.1	-91.8	137.3	0	0	0	114.6
1206	D	35.8	Very low	34	Very low	106.6 Å²	106.6	150.3 Å²	150.3	57%	0.57	73%	0.73	S	S	*	*			cis	-140.5	150.7	15.3	-108.5	-34.1	0	0	0	115.4
1207	R	35.9	Very low	33.9	Very low	209.8 Å²	209.8	146.9 Å²	146.9	79%	0.792	73%	0.733	S	S	*	*			trans	65	140.8	130.9	-74.9	160	-172.9	-174.1	-0.5	118
1208	K	35.5	Very low	34.2	Very low	168.6 Å²	168.6	145.6 Å²	145.6	73%	0.733	74%	0.738	S	S	*	*			trans	-165.5	152	143.2	-90	169.7	176.2	-172	0	110.3	K1210	K1208-K1210 HydrophobicContact CB-CB 4.4Å; K1208-K1210 HydrophobicContact CG-CB 4.27Å
1209	H	38.3	Very low	34.3	Very low	148.2 Å²	148.2	141.7 Å²	141.7	69%	0.686	74%	0.74	S	S	*	*			cis	107	142.8	39.3	-82.5	-49.1	0	0	0	114.5
1210	K	35	Very low	34.5	Very low	175.2 Å²	175.2	140.6 Å²	140.6	76%	0.762	74%	0.744	S	S	*	*			cis	-158.5	139.7	28.9	-139	174.5	178.5	-179.3	0	110.7	K1208	K1208-K1210 HydrophobicContact CB-CB 4.4Å; K1208-K1210 HydrophobicContact CG-CB 4.27Å
1211	S	35	Very low	34.9	Very low	91.4 Å²	91.4	141.3 Å²	141.3	64%	0.639	75%	0.749	S	S	*	*				23	150.2	104.9	17	0	0	0	0	117.3
1212	S	33.4	Very low	34.8	Very low	108.2 Å²	108.2	138 Å²	138	76%	0.757	75%	0.747	S	S	*	*				155	144.1	117.5	-86.7	0	0	0	0	113.6
1213	S	34.2	Very low	34.6	Very low	97.8 Å²	97.8	135.9 Å²	135.9	68%	0.684	74%	0.744	S	S	*	*				-167.9	151.7	64.7	13.9	0	0	0	0	113.5
1214	R	33.1	Very low	34.4	Very low	228.8 Å²	228.8	135.5 Å²	135.5	86%	0.863	74%	0.742	S	S	*	*				-169.3	137.8	82.2	-93.9	-179.1	174.8	-168.4	-4.4	112
1215	T	32.2	Very low	34.3	Very low	115.6 Å²	115.6	133.9 Å²	133.9	71%	0.709	74%	0.741	S	S	*	*				66	155.4	111.6	52	0	0	0	0	114.4
1216	S	33.4	Very low	34.1	Very low	111.6 Å²	111.6	134.3 Å²	134.3	78%	0.78	74%	0.743	S	S	*	*			cis	153.1	147.7	43.7	34.2	0	0	0	0	114.6
1217	A	34.4	Very low	33.8	Very low	93 Å²	93	134.7 Å²	134.7	77%	0.769	75%	0.745	S	S	*	*				-137	-178.4	128.2	0	0	0	0	0	111.4
1218	P	38.4	Very low	33.6	Very low	131.2 Å²	131.2	128.7 Å²	128.7	85%	0.852	74%	0.736	S	S	*	*				-133.8	177.6	-101.3	40.7	-24.9	0	0	0	116.5
1219	G	33.4	Very low	33.6	Very low	76.2 Å²	76.2	127.7 Å²	127.7	79%	0.786	74%	0.737	S	S	*	*			trans	108.7	135.6	167.1	0	0	0	0	0	114.4
1220	S	33.2	Very low	33.3	Very low	109.8 Å²	109.8	127.7 Å²	127.7	77%	0.768	74%	0.737	S	S	*	*			cis	156.9	124.8	1.6	-173.7	0	0	0	0	113.1
1221	S	37	Very low	33.2	Very low	97 Å²	97	122.3 Å²	122.3	68%	0.678	73%	0.731	S	S	*	*			trans	159.8	132	158.2	38.5	0	0	0	0	114.4	R1019	R1019-S1221 PolarHBondContact NH2-O 3.35Å
1222	D	32.3	Very low	33	Very low	146.4 Å²	146.4	125.9 Å²	125.9	78%	0.783	74%	0.738	S	S	*	*				93.3	151.2	94.4	-73.3	-52	0	0	0	113	R1019	R1019-D1222 IonicContact CZ-OD2 2.61Å; R1019-D1222 IonicContact NH1-OD2 3.91Å; R1019-D1222 PolarHBondContact NH1-OD2 3.35Å; R1019-D1222 IonicContact NH2-OD2 3.58Å
1223	I	32.5	Very low	32.9	Very low	143.4 Å²	143.4	131.1 Å²	131.1	74%	0.735	74%	0.742	S	S	*	*			trans	167.2	125.4	148.3	-76.5	155.2	0	0	0	114.1	L1225	I1223-L1225 HydrophobicContact CG2-CB 4.09Å
1224	K	30.1	Very low	32.7	Very low	176.8 Å²	176.8	129.4 Å²	129.4	77%	0.769	74%	0.741	S	S	*	*			trans	63.9	130	133.4	-77.4	171.6	-172.7	173.5	0	114.7	Y1016	Y1016-K1224 PolarHBondContact OH-NZ 3.48Å
1225	L	31.4	Very low	32.6	Very low	143 Å²	143	125.7 Å²	125.7	75%	0.749	74%	0.737	S	S	*	*				147.6	126	104.6	-119.9	135.5	0	0	0	112.2	I1223	I1223-L1225 HydrophobicContact CG2-CB 4.09Å
1226	L	31.2	Very low	32.5	Very low	142.6 Å²	142.6	126.4 Å²	126.4	75%	0.747	74%	0.736	S	S	*	*			trans	-70.1	159.6	139.2	-96.8	94.6	0	0	0	111.7
1227	D	30.8	Very low	32.4	Very low	113.6 Å²	113.6	130.2 Å²	130.2	61%	0.607	74%	0.739	S	S	*	*			trans	158.9	151	145.2	-125.9	-10.8	0	0	0	114.4	T1318	D1227-T1318 PolarHBondContact O-OG1 3.43Å
1228	S	31.7	Very low	32.2	Very low	84.8 Å²	84.8	129.9 Å²	129.9	59%	0.593	73%	0.731	S	S	*	*			trans	111.6	139.3	149.1	-80.5	0	0	0	0	116.6	T1318	S1228-T1318 CarbonylContact C-O 3.56Å; S1228-T1318 PolarHBondContact N-O 2.92Å; S1228-T1318 PolarHBondContact O-N 3.19Å
1229	I	35.1	Very low	31.8	Very low	146.8 Å²	146.8	130.9 Å²	130.9	75%	0.753	73%	0.729	S	S	*	*				144.1	126.2	118.3	-78.6	163.9	0	0	0	113
1230	E	31.5	Very low	31.9	Very low	147.6 Å²	147.6	133.4 Å²	133.4	69%	0.69	73%	0.729	S	S	*	*			trans	174.6	145.4	167.8	-103.7	166.7	161.9	0	0	114.8	I1320 A1458	E1230-I1320 HydrophobicContact CG-CD1 3.78Å; E1230-A1458 CarbonylContact O-C 3.26Å; E1230-A1458 VanDerWaalsContact O-C 3.26Å; E1230-A1458 VanDerWaalsContact O-CA 3.31Å; E1230-A1458 WeakPolarHBondContact O-CA 3.5Å; E1230-A1458 WeakPolarHBondContact O-CB 3.4Å; E1230-A1458 PolarHBondContact O-N 3.06Å; E1230-A1458 VanDerWaalsContact O-O 3.06Å
1231	G	31.8	Very low	31.7	Very low	62.4 Å²	62.4	136 Å²	136	64%	0.643	73%	0.729	S	S	*	*			trans	174.6	72.2	-178.4	0	0	0	0	0	118.3
1232	Q	32.2	Very low	31.5	Very low	167.6 Å²	167.6	138.2 Å²	138.2	78%	0.783	73%	0.733	S	S	*	*			trans	102.9	132.5	141.4	-90	164.9	-1.5	0	0	116.1	A1455	Q1232-A1455 HydrophobicContact CG-CB 4.18Å; Q1232-A1455 PolarHBondContact NE2-O 3.01Å
1233	Y	31.1	Very low	31.4	Very low	216.4 Å²	216.4	136.5 Å²	136.5	85%	0.849	73%	0.728	S	S	*	*			trans	38.1	128.5	168.6	-80.5	-77.2	0	0	0	117.8	A1457	Y1233-A1457 WeakPolarHBondContact CB-O 3.23Å; Y1233-A1457 WeakPolarHBondContact CD2-O 3.37Å; Y1233-A1457 VanDerWaalsContact CG-O 3.27Å
1234	G	29.7	Very low	31.3	Very low	62.8 Å²	62.8	139.1 Å²	139.1	65%	0.647	73%	0.73	S	S	*	*			trans	146.1	152.1	157.7	0	0	0	0	0	116.5	N1236	G1234-N1236 PolarHBondContact O-N 2.84Å
1235	I	32	Very low	31.2	Very low	151.8 Å²	151.8	139 Å²	139	78%	0.778	73%	0.729	S	S	*	*			trans	59.6	111.1	169.9	-47.7	174.9	0	0	0	114.8	F1237	I1235-F1237 HydrophobicContact CG2-CD2 3.57Å; I1235-F1237 HydrophobicContact CG2-CE2 3.8Å; I1235-F1237 PolarHBondContact O-N 3.23Å
1236	N	30	Very low	31.2	Very low	130.6 Å²	130.6	140.3 Å²	140.3	70%	0.698	73%	0.731	S	S	*	*			trans	83.5	117.4	142.7	-68.2	-28.2	0	0	0	116.7	G1234	G1234-N1236 PolarHBondContact O-N 2.84Å
1237	F	31.2	Very low	31.1	Very low	189.6 Å²	189.6	138.4 Å²	138.4	83%	0.832	73%	0.73	S	S	*	*				-64.5	131.3	125.2	-89.1	-81.6	0	0	0	115.7	I1235	I1235-F1237 HydrophobicContact CG2-CD2 3.57Å; I1235-F1237 HydrophobicContact CG2-CE2 3.8Å; I1235-F1237 PolarHBondContact O-N 3.23Å
1238	S	30	Very low	31	Very low	88.4 Å²	88.4	138.4 Å²	138.4	62%	0.618	74%	0.739	S	S	*	*			trans	82.3	123.4	153.7	39	0	0	0	0	117.4
1239	D	30	Very low	31.1	Very low	150.6 Å²	150.6	139.1 Å²	139.1	81%	0.805	74%	0.744	S	S	*	*			trans	41.7	119.6	133.4	-42.5	-47.4	0	0	0	116.8
1240	T	34.4	Very low	30.9	Very low	129.2 Å²	129.2	138.4 Å²	138.4	79%	0.793	74%	0.741	S	S	*	*				-155.5	128.9	123.8	6	0	0	0	0	110	L1242	T1240-L1242 PolarHBondContact O-N 3Å
1241	E	30.6	Very low	30.9	Very low	163.6 Å²	163.6	137.3 Å²	137.3	76%	0.764	74%	0.74	S	S	*	*				39.9	138.6	122.2	-86.5	-166.1	143.1	0	0	117.5	T1243	E1241-T1243 HydrophobicContact CG-CG2 3.74Å; E1241-T1243 WeakPolarHBondContact OE1-CG2 3.46Å; E1241-T1243 VanDerWaalsContact OE2-CG2 3.31Å; E1241-T1243 WeakPolarHBondContact OE2-CG2 2.98Å
1242	L	32.6	Very low	31	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	74%	0.744	S	S	*	*			trans	-175.4	114.1	141.7	-91.5	173.7	0	0	0	112.3	T1240 Y1244	T1240-L1242 PolarHBondContact O-N 3Å; L1242-Y1244 PolarHBondContact O-N 3.43Å
1243	T	29.7	Very low	31	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	74%	0.738	S	S	*	*			trans	-53.3	124.1	142	-15.3	0	0	0	0	113.5	E1241 K1245	E1241-T1243 HydrophobicContact CG-CG2 3.74Å; E1241-T1243 WeakPolarHBondContact OE1-CG2 3.46Å; E1241-T1243 VanDerWaalsContact OE2-CG2 3.31Å; E1241-T1243 WeakPolarHBondContact OE2-CG2 2.98Å; T1243-K1245 PolarHBondContact O-N 3.47Å
1244	Y	29	Very low	31.1	Very low	198.2 Å²	198.2	133.3 Å²	133.3	78%	0.777	73%	0.728	S	S	*	*			trans	-120.7	130.6	154.1	-137.5	-101.1	0	0	0	110.8	V853 L1242 H1246	V853-Y1244 HydrophobicContact CG1-CE2 3.88Å; L1242-Y1244 PolarHBondContact O-N 3.43Å; Y1244-H1246 AromaticContact CD1-CD2 3.92Å; Y1244-H1246 AromaticContact CE1-CD2 3.54Å; Y1244-H1246 AromaticContact CE1-NE2 3.85Å; Y1244-H1246 PolarHBondContact O-N 3.38Å
1245	K	29.3	Very low	31.3	Very low	175.2 Å²	175.2	136.3 Å²	136.3	76%	0.762	73%	0.73	S	S	*	*			trans	-90.3	122.8	160.9	-95	179	178.9	176.5	0	112.8	T1243 S1247	T1243-K1245 PolarHBondContact O-N 3.47Å; K1245-S1247 PolarHBondContact O-N 3.33Å
1246	H	30.6	Very low	31.3	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.787	73%	0.729	S	S	*	*			trans	-33.9	126.6	135.8	-106.9	-79.5	0	0	0	114.7	Y1244	Y1244-H1246 AromaticContact CD1-CD2 3.92Å; Y1244-H1246 AromaticContact CE1-CD2 3.54Å; Y1244-H1246 AromaticContact CE1-NE2 3.85Å; Y1244-H1246 PolarHBondContact O-N 3.38Å
1247	S	29.1	Very low	31.5	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	73%	0.729	S	S	*	*			trans	-141.9	142.6	136.9	-82.7	0	0	0	0	112.9	K1245	K1245-S1247 PolarHBondContact O-N 3.33Å
1248	S	29.8	Very low	31.5	Very low	112.2 Å²	112.2	136.5 Å²	136.5	79%	0.785	72%	0.723	S	S	*	*				92.3	127.1	115.2	-130.7	0	0	0	0	114.9
1249	S	32.6	Very low	31.7	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	73%	0.726	S	S	*	*			trans	-165.5	147.4	142.5	-150.4	0	0	0	0	114	N1251	S1249-N1251 PolarHBondContact O-N 2.81Å
1250	N	31.3	Very low	31.9	Very low	131.4 Å²	131.4	140 Å²	140	70%	0.703	72%	0.724	S	S	*	*			trans	79.2	122.8	157.3	-73.4	-18.3	0	0	0	113.6
1251	N	32.1	Very low	31.9	Very low	125.4 Å²	125.4	140 Å²	140	67%	0.671	72%	0.719	S	S	*	*			cis	167.3	134.1	48.4	-96.6	-17.8	0	0	0	110.6	S1249	S1249-N1251 PolarHBondContact O-N 2.81Å
1252	N	33.3	Very low	32.2	Very low	134 Å²	134	138.9 Å²	138.9	72%	0.717	72%	0.718	S	S	*	*			trans	100.3	136.8	144.5	-65.9	-20.5	0	0	0	115.5
1253	N	31.9	Very low	32.2	Very low	121.8 Å²	121.8	139.3 Å²	139.3	65%	0.651	72%	0.721	S	S	*	*				116.3	157.7	123.3	-97.4	4.4	0	0	0	112.8
1254	T	34.3	Very low	32.3	Very low	106 Å²	106	140.4 Å²	140.4	65%	0.65	72%	0.723	S	S	*	*			cis	153.5	162.1	33.7	37.2	0	0	0	0	112.2
1255	D	33.6	Very low	32.6	Very low	126.6 Å²	126.6	135.3 Å²	135.3	68%	0.677	72%	0.716	S	S	*	*				111.8	125.8	97	-72.6	-30	0	0	0	117
1256	Y	31.3	Very low	32.8	Very low	193.8 Å²	193.8	135.4 Å²	135.4	76%	0.76	72%	0.721	S	S	*	*				91.1	127.2	110.9	-93.5	-87.6	0	0	0	119.5
1257	H	35.4	Very low	32.9	Very low	151.2 Å²	151.2	133.3 Å²	133.3	70%	0.7	72%	0.716	S	S	*	*			trans	75.8	132.1	152.4	-82.6	-55.4	0	0	0	119.7
1258	N	31.5	Very low	33.1	Very low	131.4 Å²	131.4	136 Å²	136	70%	0.703	71%	0.71	S	S	*	*			trans	25	137.9	144.1	-52.8	-14.6	0	0	0	116.3
1259	H	34.1	Very low	33.2	Very low	146.8 Å²	146.8	137.3 Å²	137.3	68%	0.68	71%	0.707	S	S	*	*				-166.9	139.8	117.1	-119.1	-85.4	0	0	0	111.2	S1765 S1766 S1767	H1259-S1765 WeakPolarHBondContact CD2-CB 3.39Å; H1259-S1766 WeakPolarHBondContact NE2-CA 3.26Å; H1259-S1767 PolarHBondContact ND1-N 3.39Å; H1259-S1767 PolarHBondContact ND1-OG 2.96Å
1260	E	33.2	Very low	33.4	Very low	164.6 Å²	164.6	139.2 Å²	139.2	77%	0.769	71%	0.708	S	S	*	*			trans	-35.1	144.1	135	-66	-178.6	135.5	0	0	111.5	S1767	E1260-S1767 PolarHBondContact O-OG 3.46Å
1261	D	34.4	Very low	33.6	Very low	130.2 Å²	130.2	141.1 Å²	141.1	70%	0.696	71%	0.71	S	S	*	*			trans	153.2	120.9	139.4	-97	-32.5	0	0	0	116.5	S1767 F1768	D1261-S1767 WeakPolarHBondContact O-CB 3.28Å; D1261-S1767 PolarHBondContact O-OG 2.95Å; D1261-F1768 HydrophobicContact CB-CD1 4.41Å; D1261-F1768 HydrophobicContact CB-CE1 3.86Å; D1261-F1768 HydrophobicContact CB-CZ 4.34Å; D1261-F1768 WeakPolarHBondContact OD2-CE1 3.3Å; D1261-F1768 WeakPolarHBondContact OD2-CZ 3.48Å
1262	L	37.6	Very low	33.7	Very low	139.8 Å²	139.8	144.8 Å²	144.8	73%	0.732	72%	0.72	S	S	*	*			trans	77.6	54.4	157.5	-85.7	151.3	0	0	0	119.1	N1264 T1769	L1262-N1264 VanDerWaalsContact CD2-O 3.3Å; L1262-N1264 WeakPolarHBondContact CD2-O 3.41Å; L1262-N1264 PolarHBondContact O-N 3Å; L1262-N1264 VanDerWaalsContact O-N 3.09Å; L1262-T1769 HydrophobicContact CD2-CG2 3.97Å
1263	N	32.1	Very low	33.6	Very low	153.2 Å²	153.2	141.6 Å²	141.6	82%	0.819	72%	0.719	S	S	*	*	S	Bend	trans	-64.6	69.4	146.2	-91.9	-23	0	0	0	116.1
1264	N	32.7	Very low	33.7	Very low	133.4 Å²	133.4	141.6 Å²	141.6	71%	0.713	73%	0.728	S	S	*	*			trans	-171.8	86	164.2	-92	-40.6	0	0	0	115.2	L1262 T1769	L1262-N1264 VanDerWaalsContact CD2-O 3.3Å; L1262-N1264 WeakPolarHBondContact CD2-O 3.41Å; L1262-N1264 PolarHBondContact O-N 3Å; L1262-N1264 VanDerWaalsContact O-N 3.09Å; N1264-T1769 WeakPolarHBondContact O-CB 3.08Å; N1264-T1769 PolarHBondContact O-OG1 3.49Å
1265	S	34.4	Very low	33.9	Very low	91.2 Å²	91.2	145.2 Å²	145.2	64%	0.638	74%	0.74	S	S	*	*			trans	-113.3	62.8	174.6	-161.1	0	0	0	0	115.6	D1267 R1268 T1769 S1770	S1265-D1267 VanDerWaalsContact C-N 3.33Å; S1265-D1267 PolarHBondContact O-N 2.95Å; S1265-D1267 PolarHBondContact OG-N 3.33Å; S1265-R1268 PolarHBondContact OG-NH2 2.93Å; S1265-T1769 VanDerWaalsContact CB-CB 3.46Å; S1265-S1770 WeakPolarHBondContact OG-CA 3.2Å; S1265-S1770 PolarHBondContact OG-N 3.46Å; S1265-S1770 VanDerWaalsContact OG-N 3.16Å
1266	M	33.3	Very low	34.2	Very low	175.6 Å²	175.6	143.2 Å²	143.2	87%	0.865	73%	0.734	S	S	*	*	S	Bend		-116.1	64.8	111.1	-125.8	133	177.2	0	0	112.9	S1771	M1266-S1771 VanDerWaalsContact C-OG 3.27Å; M1266-S1771 WeakPolarHBondContact O-CB 3.45Å; M1266-S1771 PolarHBondContact O-OG 2.89Å; M1266-S1771 VanDerWaalsContact O-OG 3.1Å; M1266-S1771 WeakPolarHBondContact SD-CA 3.48Å; M1266-S1771 PolarHBondContact SD-N 3.16Å; M1266-S1771 VanDerWaalsContact SD-N 3.44Å
1267	D	31.9	Very low	34.6	Very low	126 Å²	126	137.9 Å²	137.9	67%	0.674	73%	0.725	S	S	*	*			trans	-125	82.1	172.4	-128.5	-12.8	0	0	0	112.5	R1075 L1076 S1265 I1269	R1075-D1267 WeakPolarHBondContact CD-O 3.38Å; R1075-D1267 IonicContact CZ-OD1 2.66Å; R1075-D1267 PolarHBondContact NE-O 2.03Å; R1075-D1267 IonicContact NE-OD1 3.84Å; R1075-D1267 PolarHBondContact NE-OD1 3.16Å; R1075-D1267 IonicContact NE-OD2 3.17Å; R1075-D1267 PolarHBondContact NH2-O 3.46Å; R1075-D1267 IonicContact NH2-OD1 2.63Å; R1075-D1267 PolarHBondContact NH2-OD1 2.04Å; L1076-D1267 HydrophobicContact CD1-CB 3.95Å; L1076-D1267 WeakPolarHBondContact CD1-O 2.94Å; L1076-D1267 HydrophobicContact CD2-CB 4.07Å; L1076-D1267 HydrophobicContact CG-CB 4.1Å; L1076-D1267 WeakPolarHBondContact CG-OD2 3.5Å; S1265-D1267 VanDerWaalsContact C-N 3.33Å; S1265-D1267 PolarHBondContact O-N 2.95Å; S1265-D1267 PolarHBondContact OG-N 3.33Å; D1267-I1269 WeakPolarHBondContact OD1-CD1 3.33Å; D1267-I1269 WeakPolarHBondContact OD1-CG1 3.47Å
1268	R	34.4	Very low	34.7	Very low	161.8 Å²	161.8	140.2 Å²	140.2	61%	0.611	73%	0.729	S	S	*	*			trans	-142.9	83.5	159.1	-112.1	-174.9	-79.6	-132.6	-0	113.8	N858 L1074 S1265 I1270 F1768 T1769 S1770 S1771	N858-R1268 VanDerWaalsContact CG-NH1 3.27Å; N858-R1268 VanDerWaalsContact OD1-CZ 3.27Å; N858-R1268 PolarHBondContact OD1-NH1 2.97Å; N858-R1268 PolarHBondContact OD1-NH2 2.81Å; L1074-R1268 PolarHBondContact O-NH1 2.9Å; S1265-R1268 PolarHBondContact OG-NH2 2.93Å; R1268-I1270 HydrophobicContact CG-CG1 4.37Å; R1268-I1270 PolarHBondContact O-N 3.38Å; R1268-F1768 PolarHBondContact NH2-O 2.64Å; R1268-T1769 PolarHBondContact NH2-O 3.03Å; R1268-T1769 VanDerWaalsContact NH2-O 3.12Å; R1268-S1770 VanDerWaalsContact CZ-OG 3.31Å; R1268-S1770 PolarHBondContact NE-OG 2.93Å; R1268-S1770 VanDerWaalsContact NH2-CB 3.29Å; R1268-S1770 PolarHBondContact NH2-OG 3.28Å; R1268-S1771 PolarHBondContact N-OG 3.23Å
1269	I	32.2	Very low	35.3	Very low	138.6 Å²	138.6	141.5 Å²	141.5	71%	0.711	73%	0.728	S	S	*	*			trans	-33.6	96.4	163.4	-54.4	169.2	0	0	0	113.1	L663 D1267 K1271	L663-I1269 HydrophobicContact CD1-CG2 4.01Å; D1267-I1269 WeakPolarHBondContact OD1-CD1 3.33Å; D1267-I1269 WeakPolarHBondContact OD1-CG1 3.47Å; I1269-K1271 HydrophobicContact CG2-CB 3.88Å; I1269-K1271 PolarHBondContact O-N 2.91Å
1270	I	36.6	Very low	36	Very low	140.6 Å²	140.6	140.5 Å²	140.5	72%	0.721	72%	0.724	S	S	*	*			trans	-111.1	99.3	144.5	-61.1	-179.7	0	0	0	107.6	R1268 F1272 T1773	R1268-I1270 HydrophobicContact CG-CG1 4.37Å; R1268-I1270 PolarHBondContact O-N 3.38Å; I1270-F1272 HydrophobicContact CG2-CD2 4.01Å; I1270-F1272 HydrophobicContact CG2-CE2 4.43Å; I1270-F1272 PolarHBondContact O-N 3.18Å; I1270-T1773 HydrophobicContact CD1-CG2 4.36Å
1271	K	35.4	Very low	36.5	Very low	171.6 Å²	171.6	137 Å²	137	75%	0.746	71%	0.711	S	S	*	*			trans	-88.4	114.7	173.1	-156.2	178	-177.6	177.3	0	110.3	L663 I1269 G1273 E1280	L663-K1271 WeakPolarHBondContact CD2-O 3.34Å; I1269-K1271 HydrophobicContact CG2-CB 3.88Å; I1269-K1271 PolarHBondContact O-N 2.91Å; K1271-G1273 PolarHBondContact O-N 3.1Å; K1271-G1273 VanDerWaalsContact O-N 3.09Å; K1271-E1280 IonicContact NZ-OE1 3.12Å; K1271-E1280 PolarHBondContact NZ-OE1 3.03Å
1272	F	33.9	Very low	37.1	Very low	203.4 Å²	203.4	138.5 Å²	138.5	89%	0.892	71%	0.711	S	S	*	*			trans	-53.8	121	173.5	-69.6	-85	0	0	0	114.1	I1270 S1274	I1270-F1272 HydrophobicContact CG2-CD2 4.01Å; I1270-F1272 HydrophobicContact CG2-CE2 4.43Å; I1270-F1272 PolarHBondContact O-N 3.18Å; F1272-S1274 PolarHBondContact O-N 2.97Å
1273	G	31.3	Very low	37.8	Very low	66.8 Å²	66.8	137.8 Å²	137.8	69%	0.689	71%	0.707	S	S	*	*			trans	-158.1	105.3	166.6	0	0	0	0	0	115	K1271 M1275	K1271-G1273 PolarHBondContact O-N 3.1Å; K1271-G1273 VanDerWaalsContact O-N 3.09Å; G1273-M1275 PolarHBondContact O-N 3.18Å
1274	S	34.1	Very low	38.6	Very low	120.6 Å²	120.6	135.7 Å²	135.7	84%	0.843	69%	0.69	S	S	*	*			trans	7.8	94.2	160.7	-14.3	0	0	0	0	115.1	F1272	F1272-S1274 PolarHBondContact O-N 2.97Å
1275	M	38.2	Very low	39.4	Very low	181.8 Å²	181.8	135.5 Å²	135.5	90%	0.896	69%	0.685	S	S	*	*			trans	-65.9	132.6	173.3	-146.2	162	68.6	0	0	111.8	G1273 S1277	G1273-M1275 PolarHBondContact O-N 3.18Å; M1275-S1277 PolarHBondContact O-N 3.45Å
1276	P	40	Very low	40.1	Very low	84.8 Å²	84.8	137.7 Å²	137.7	55%	0.551	69%	0.689	S	S	*	*			trans	-85	159.5	-156.1	-6	19.6	0	0	0	115.4	Y1278 E1280 D1281	P1276-Y1278 PolarHBondContact O-N 3Å; P1276-E1280 HydrophobicContact CB-CB 4.05Å; P1276-E1280 HydrophobicContact CB-CG 4.14Å; P1276-E1280 WeakPolarHBondContact CB-OE2 3.39Å; P1276-D1281 VanDerWaalsContact CB-OD1 3.32Å; P1276-D1281 WeakPolarHBondContact CB-OD1 3.37Å; P1276-D1281 WeakPolarHBondContact CB-OD2 3.14Å; P1276-D1281 WeakPolarHBondContact CG-OD2 3Å
1277	S	40	Very low	40.8	Very low	83.4 Å²	83.4	136.8 Å²	136.8	58%	0.583	68%	0.68	S	S	*	*			trans	-49.3	121.9	167.9	-174.3	0	0	0	0	113	K827 M1275 K1279 E1280 D1281	K827-S1277 PolarHBondContact NZ-O 3.31Å; M1275-S1277 PolarHBondContact O-N 3.45Å; S1277-K1279 VanDerWaalsContact C-N 3.31Å; S1277-K1279 PolarHBondContact O-N 3.03Å; S1277-K1279 PolarHBondContact OG-N 3.25Å; S1277-E1280 WeakPolarHBondContact CB-OE2 3.2Å; S1277-E1280 PolarHBondContact N-OE2 3.29Å; S1277-E1280 WeakPolarHBondContact O-CA 3.42Å; S1277-E1280 WeakPolarHBondContact O-CB 3.12Å; S1277-E1280 PolarHBondContact O-N 2.41Å; S1277-D1281 PolarHBondContact O-N 2.76Å; S1277-D1281 VanDerWaalsContact O-N 3.14Å
1278	Y	37.7	Very low	41.3	Very low	197.8 Å²	197.8	139 Å²	139	78%	0.776	68%	0.679	S	S	*	*			trans	-83.8	17.3	169.6	-148.1	-105.9	0	0	0	113.6	K827 P1276 E1280	K827-Y1278 HydrophobicContact CB-CE2 3.96Å; K827-Y1278 HydrophobicContact CD-CD2 3.62Å; K827-Y1278 HydrophobicContact CD-CE1 4.43Å; K827-Y1278 HydrophobicContact CD-CE2 3.45Å; K827-Y1278 VanDerWaalsContact CD-CE2 3.45Å; K827-Y1278 HydrophobicContact CD-CG 4.22Å; K827-Y1278 VanDerWaalsContact CE-CD2 3.42Å; K827-Y1278 VanDerWaalsContact CE-CG 3.49Å; K827-Y1278 HydrophobicContact CG-CD2 4.28Å; K827-Y1278 HydrophobicContact CG-CE1 4.28Å; K827-Y1278 HydrophobicContact CG-CE2 3.61Å; P1276-Y1278 PolarHBondContact O-N 3Å; Y1278-E1280 VanDerWaalsContact C-N 3.3Å; Y1278-E1280 PolarHBondContact O-N 2.94Å
1279	K	43.7	Very low	41.8	Very low	159 Å²	159	136.9 Å²	136.9	69%	0.691	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	-4.5	177	-140.6	178.4	-179.1	-177.8	0	114.6	S1277 I1283 E1520 W1523	S1277-K1279 VanDerWaalsContact C-N 3.31Å; S1277-K1279 PolarHBondContact O-N 3.03Å; S1277-K1279 PolarHBondContact OG-N 3.25Å; K1279-I1283 WeakPolarHBondContact O-CD1 3.16Å; K1279-I1283 VanDerWaalsContact O-CG1 3.3Å; K1279-I1283 WeakPolarHBondContact O-CG1 3.37Å; K1279-I1283 PolarHBondContact O-N 2.79Å; K1279-E1520 IonicContact NZ-OE1 3.35Å; K1279-E1520 PolarHBondContact NZ-OE1 3.39Å; K1279-W1523 VanDerWaalsContact NZ-CZ2 3.29Å
1280	E	48.7	Very low	42.3	Very low	125.8 Å²	125.8	134 Å²	134	59%	0.588	68%	0.681	S	S	*	*	H	α-helix	trans	-102.8	-16.1	179.1	-69.1	179.3	-168.2	0	0	113.2	K1271 P1276 S1277 Y1278 K1282 I1283 K1284	K1271-E1280 IonicContact NZ-OE1 3.12Å; K1271-E1280 PolarHBondContact NZ-OE1 3.03Å; P1276-E1280 HydrophobicContact CB-CB 4.05Å; P1276-E1280 HydrophobicContact CB-CG 4.14Å; P1276-E1280 WeakPolarHBondContact CB-OE2 3.39Å; S1277-E1280 WeakPolarHBondContact CB-OE2 3.2Å; S1277-E1280 PolarHBondContact N-OE2 3.29Å; S1277-E1280 WeakPolarHBondContact O-CA 3.42Å; S1277-E1280 WeakPolarHBondContact O-CB 3.12Å; S1277-E1280 PolarHBondContact O-N 2.41Å; Y1278-E1280 VanDerWaalsContact C-N 3.3Å; Y1278-E1280 PolarHBondContact O-N 2.94Å; E1280-K1282 VanDerWaalsContact C-N 3.34Å; E1280-K1282 PolarHBondContact O-N 3.22Å; E1280-I1283 CarbonylContact O-C 3.37Å; E1280-I1283 WeakPolarHBondContact O-CA 3.41Å; E1280-I1283 WeakPolarHBondContact O-CB 3.01Å; E1280-I1283 PolarHBondContact O-N 3.22Å; E1280-I1283 VanDerWaalsContact O-N 3.12Å; E1280-K1284 HydrophobicContact CB-CD 4.25Å; E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 WeakPolarHBondContact O-CE 3.5Å; E1280-K1284 WeakPolarHBondContact O-CG 3.3Å; E1280-K1284 PolarHBondContact O-N 2.99Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.4Å; E1280-K1284 IonicContact OE2-NZ 3.35Å; E1280-K1284 PolarHBondContact OE2-NZ 3.03Å
1281	D	44.7	Very low	42.6	Very low	91.2 Å²	91.2	133.4 Å²	133.4	49%	0.488	68%	0.679	S	S	.	*	H	α-helix	trans	-90.4	-12.3	-171.5	-108.3	-3.5	0	0	0	113.6	P1276 S1277 I1283 K1284 Q1285	P1276-D1281 VanDerWaalsContact CB-OD1 3.32Å; P1276-D1281 WeakPolarHBondContact CB-OD1 3.37Å; P1276-D1281 WeakPolarHBondContact CB-OD2 3.14Å; P1276-D1281 WeakPolarHBondContact CG-OD2 3Å; S1277-D1281 PolarHBondContact O-N 2.76Å; S1277-D1281 VanDerWaalsContact O-N 3.14Å; D1281-I1283 VanDerWaalsContact C-N 3.32Å; D1281-I1283 PolarHBondContact O-N 3.36Å; D1281-K1284 PolarHBondContact O-N 3.24Å; D1281-K1284 WeakPolarHBondContact OD1-CD 3.26Å; D1281-K1284 WeakPolarHBondContact OD1-CE 3.37Å; D1281-K1284 IonicContact OD1-NZ 2.87Å; D1281-K1284 PolarHBondContact OD1-NZ 3.22Å; D1281-Q1285 WeakPolarHBondContact O-CB 3.35Å; D1281-Q1285 VanDerWaalsContact O-CG 3.32Å; D1281-Q1285 WeakPolarHBondContact O-CG 3.41Å; D1281-Q1285 PolarHBondContact O-N 3.09Å
1282	K	46.3	Very low	42.8	Very low	161.2 Å²	161.2	131 Å²	131	70%	0.701	68%	0.679	S	S	*	*	H	α-helix	trans	-80.1	-23.4	171.5	-115.4	-177.9	-179.4	-178	0	113.4	E1280 K1284 Q1285 L1286	E1280-K1282 VanDerWaalsContact C-N 3.34Å; E1280-K1282 PolarHBondContact O-N 3.22Å; K1282-K1284 VanDerWaalsContact C-N 3.32Å; K1282-K1284 PolarHBondContact O-N 3.38Å; K1282-Q1285 PolarHBondContact O-N 2.76Å; K1282-L1286 WeakPolarHBondContact O-CB 3.3Å; K1282-L1286 WeakPolarHBondContact O-CD1 3.34Å; K1282-L1286 WeakPolarHBondContact O-CG 3.35Å; K1282-L1286 PolarHBondContact O-N 2.98Å; K1282-L1286 VanDerWaalsContact O-N 3.15Å
1283	I	52.4	Low	43.1	Very low	126.8 Å²	126.8	128.8 Å²	128.8	65%	0.65	68%	0.676	S	S	*	*	H	α-helix	trans	-84.1	-29.4	176.9	-65.1	174.3	0	0	0	111.6	K1279 E1280 D1281 L1286 K1287	K1279-I1283 WeakPolarHBondContact O-CD1 3.16Å; K1279-I1283 VanDerWaalsContact O-CG1 3.3Å; K1279-I1283 WeakPolarHBondContact O-CG1 3.37Å; K1279-I1283 PolarHBondContact O-N 2.79Å; E1280-I1283 CarbonylContact O-C 3.37Å; E1280-I1283 WeakPolarHBondContact O-CA 3.41Å; E1280-I1283 WeakPolarHBondContact O-CB 3.01Å; E1280-I1283 PolarHBondContact O-N 3.22Å; E1280-I1283 VanDerWaalsContact O-N 3.12Å; D1281-I1283 VanDerWaalsContact C-N 3.32Å; D1281-I1283 PolarHBondContact O-N 3.36Å; I1283-L1286 PolarHBondContact O-N 2.97Å; I1283-K1287 VanDerWaalsContact O-CB 3.27Å; I1283-K1287 WeakPolarHBondContact O-CB 3.2Å; I1283-K1287 PolarHBondContact O-N 3.02Å
1284	K	49.5	Very low	43.4	Very low	107.8 Å²	107.8	130.7 Å²	130.7	47%	0.469	68%	0.676	S	S	.	*	H	α-helix	trans	-79.9	-19.2	178	-69.5	172.8	-173.3	163.3	0	113.8	E1280 D1281 K1282 L1286 K1287 R1288	E1280-K1284 HydrophobicContact CB-CD 4.25Å; E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 WeakPolarHBondContact O-CE 3.5Å; E1280-K1284 WeakPolarHBondContact O-CG 3.3Å; E1280-K1284 PolarHBondContact O-N 2.99Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.4Å; E1280-K1284 IonicContact OE2-NZ 3.35Å; E1280-K1284 PolarHBondContact OE2-NZ 3.03Å; D1281-K1284 PolarHBondContact O-N 3.24Å; D1281-K1284 WeakPolarHBondContact OD1-CD 3.26Å; D1281-K1284 WeakPolarHBondContact OD1-CE 3.37Å; D1281-K1284 IonicContact OD1-NZ 2.87Å; D1281-K1284 PolarHBondContact OD1-NZ 3.22Å; K1282-K1284 VanDerWaalsContact C-N 3.32Å; K1282-K1284 PolarHBondContact O-N 3.38Å; K1284-L1286 PolarHBondContact O-N 3.13Å; K1284-K1287 PolarHBondContact O-N 3.08Å; K1284-R1288 WeakPolarHBondContact O-CB 3.29Å; K1284-R1288 WeakPolarHBondContact O-CD 3.33Å; K1284-R1288 WeakPolarHBondContact O-CG 3.34Å; K1284-R1288 PolarHBondContact O-N 3.03Å; K1284-R1288 PolarHBondContact O-NH1 2.91Å
1285	Q	49.3	Very low	43.5	Very low	129.2 Å²	129.2	130.4 Å²	130.4	60%	0.604	67%	0.672	S	S	*	*	H	α-helix	trans	-80.1	-37.6	172	-72.7	-172.1	-2.7	0	0	112.3	D1281 K1282 K1287 R1288 T1289	D1281-Q1285 WeakPolarHBondContact O-CB 3.35Å; D1281-Q1285 VanDerWaalsContact O-CG 3.32Å; D1281-Q1285 WeakPolarHBondContact O-CG 3.41Å; D1281-Q1285 PolarHBondContact O-N 3.09Å; K1282-Q1285 PolarHBondContact O-N 2.76Å; Q1285-K1287 PolarHBondContact O-N 3.23Å; Q1285-K1287 VanDerWaalsContact O-N 3.13Å; Q1285-R1288 PolarHBondContact O-N 3.11Å; Q1285-R1288 VanDerWaalsContact O-N 3.11Å; Q1285-T1289 PolarHBondContact O-N 2.84Å; Q1285-T1289 PolarHBondContact O-OG1 2.94Å; Q1285-T1289 VanDerWaalsContact O-OG1 3.1Å
1286	L	48.5	Very low	43.3	Very low	137.6 Å²	137.6	131.1 Å²	131.1	72%	0.72	67%	0.67	S	S	*	*	H	α-helix	trans	-66.8	-17.2	176.8	-100.5	128.9	0	0	0	113.4	K1282 I1283 K1284 T1289 A1290	K1282-L1286 WeakPolarHBondContact O-CB 3.3Å; K1282-L1286 WeakPolarHBondContact O-CD1 3.34Å; K1282-L1286 WeakPolarHBondContact O-CG 3.35Å; K1282-L1286 PolarHBondContact O-N 2.98Å; K1282-L1286 VanDerWaalsContact O-N 3.15Å; I1283-L1286 PolarHBondContact O-N 2.97Å; K1284-L1286 PolarHBondContact O-N 3.13Å; L1286-T1289 WeakPolarHBondContact CA-OG1 3.35Å; L1286-T1289 PolarHBondContact O-OG1 3.27Å; L1286-A1290 PolarHBondContact O-N 3.35Å
1287	K	48	Very low	43.1	Very low	157.8 Å²	157.8	136.3 Å²	136.3	69%	0.686	68%	0.684	S	S	*	*	H	α-helix	trans	-95.6	-2.5	175.9	-161.1	169.8	-178.7	176	0	113.7	I1283 K1284 Q1285 T1289 A1290 D1291	I1283-K1287 VanDerWaalsContact O-CB 3.27Å; I1283-K1287 WeakPolarHBondContact O-CB 3.2Å; I1283-K1287 PolarHBondContact O-N 3.02Å; K1284-K1287 PolarHBondContact O-N 3.08Å; Q1285-K1287 PolarHBondContact O-N 3.23Å; Q1285-K1287 VanDerWaalsContact O-N 3.13Å; K1287-T1289 VanDerWaalsContact C-N 3.28Å; K1287-T1289 PolarHBondContact O-N 2.87Å; K1287-A1290 WeakPolarHBondContact O-CA 3.49Å; K1287-A1290 WeakPolarHBondContact O-CB 3.49Å; K1287-A1290 PolarHBondContact O-N 3.13Å; K1287-D1291 VanDerWaalsContact CE-OD2 3.26Å; K1287-D1291 WeakPolarHBondContact CE-OD2 3.49Å; K1287-D1291 VanDerWaalsContact CG-OD2 3.24Å; K1287-D1291 WeakPolarHBondContact CG-OD2 3.31Å; K1287-D1291 PolarHBondContact O-N 3.42Å
1288	R	42.6	Very low	42.6	Very low	170.6 Å²	170.6	137.2 Å²	137.2	64%	0.644	69%	0.69	S	S	*	*	H	α-helix	trans	-109.3	-7.2	173.9	-71.1	-179.1	-177.5	137.4	-5	113.1	V853 K1284 Q1285 A1290 D1291 T1292	V853-R1288 PolarHBondContact O-NH2 2.99Å; K1284-R1288 WeakPolarHBondContact O-CB 3.29Å; K1284-R1288 WeakPolarHBondContact O-CD 3.33Å; K1284-R1288 WeakPolarHBondContact O-CG 3.34Å; K1284-R1288 PolarHBondContact O-N 3.03Å; K1284-R1288 PolarHBondContact O-NH1 2.91Å; Q1285-R1288 PolarHBondContact O-N 3.11Å; Q1285-R1288 VanDerWaalsContact O-N 3.11Å; R1288-A1290 VanDerWaalsContact C-N 3.31Å; R1288-A1290 PolarHBondContact O-N 3.41Å; R1288-D1291 PolarHBondContact O-N 2.84Å; R1288-T1292 WeakPolarHBondContact O-CB 3.45Å; R1288-T1292 PolarHBondContact O-N 3.03Å; R1288-T1292 PolarHBondContact O-OG1 3.16Å
1289	T	44.3	Very low	42.4	Very low	118 Å²	118	135.5 Å²	135.5	72%	0.724	69%	0.693	S	S	*	*	H	α-helix	trans	-100.3	6.7	170.9	32	0	0	0	0	113.4	Q1285 L1286 K1287	Q1285-T1289 PolarHBondContact O-N 2.84Å; Q1285-T1289 PolarHBondContact O-OG1 2.94Å; Q1285-T1289 VanDerWaalsContact O-OG1 3.1Å; L1286-T1289 WeakPolarHBondContact CA-OG1 3.35Å; L1286-T1289 PolarHBondContact O-OG1 3.27Å; K1287-T1289 VanDerWaalsContact C-N 3.28Å; K1287-T1289 PolarHBondContact O-N 2.87Å
1290	A	44.2	Very low	41.8	Very low	77.2 Å²	77.2	136.2 Å²	136.2	64%	0.638	70%	0.696	S	S	*	*	H	α-helix	trans	-103.8	-12.2	174.4	0	0	0	0	0	113	L1286 K1287 R1288 T1292	L1286-A1290 PolarHBondContact O-N 3.35Å; K1287-A1290 WeakPolarHBondContact O-CA 3.49Å; K1287-A1290 WeakPolarHBondContact O-CB 3.49Å; K1287-A1290 PolarHBondContact O-N 3.13Å; R1288-A1290 VanDerWaalsContact C-N 3.31Å; R1288-A1290 PolarHBondContact O-N 3.41Å; A1290-T1292 VanDerWaalsContact C-N 3.28Å; A1290-T1292 PolarHBondContact O-N 3Å
1291	D	42.2	Very low	41	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	71%	0.708	S	S	*	*			trans	-103.9	32.1	-175.6	-70.2	-36.9	0	0	0	112.8	K1287 R1288	K1287-D1291 VanDerWaalsContact CE-OD2 3.26Å; K1287-D1291 WeakPolarHBondContact CE-OD2 3.49Å; K1287-D1291 VanDerWaalsContact CG-OD2 3.24Å; K1287-D1291 WeakPolarHBondContact CG-OD2 3.31Å; K1287-D1291 PolarHBondContact O-N 3.42Å; R1288-D1291 PolarHBondContact O-N 2.84Å
1292	T	39.6	Very low	40.3	Very low	121.2 Å²	121.2	136.7 Å²	136.7	74%	0.744	72%	0.72	S	S	*	*			trans	-140.2	70	179.9	-35.9	0	0	0	0	113.5	R1288 A1290	R1288-T1292 WeakPolarHBondContact O-CB 3.45Å; R1288-T1292 PolarHBondContact O-N 3.03Å; R1288-T1292 PolarHBondContact O-OG1 3.16Å; A1290-T1292 VanDerWaalsContact C-N 3.28Å; A1290-T1292 PolarHBondContact O-N 3Å
1293	L	39.2	Very low	39.6	Very low	158 Å²	158	138.3 Å²	138.3	83%	0.827	73%	0.73	S	S	*	*			trans	-138.5	136.5	163.7	-90.3	138	0	0	0	112.4
1294	P	39	Very low	38.3	Very low	106.6 Å²	106.6	137.1 Å²	137.1	69%	0.692	73%	0.733	S	S	*	*			trans	-103.6	167.8	-175.9	34.7	-29.9	0	0	0	112.9	F1296	P1294-F1296 HydrophobicContact CB-CD2 4.37Å; P1294-F1296 HydrophobicContact CB-CE2 4.23Å; P1294-F1296 HydrophobicContact CG-CD2 4.04Å; P1294-F1296 HydrophobicContact CG-CE2 3.87Å; P1294-F1296 PolarHBondContact O-N 2.87Å
1295	P	36.3	Very low	37.4	Very low	114.2 Å²	114.2	140.2 Å²	140.2	74%	0.742	75%	0.751	S	S	*	*				-103.3	147.3	-129.6	36.2	-30.8	0	0	0	113.5	K1297	P1295-K1297 PolarHBondContact O-N 3.4Å; P1295-K1297 VanDerWaalsContact O-N 3.12Å
1296	F	32.5	Very low	36.3	Very low	195 Å²	195	138.2 Å²	138.2	86%	0.855	75%	0.751	S	S	*	*			trans	-116.2	139.4	159.7	-90.1	-85	0	0	0	113.2	P1294	P1294-F1296 HydrophobicContact CB-CD2 4.37Å; P1294-F1296 HydrophobicContact CB-CE2 4.23Å; P1294-F1296 HydrophobicContact CG-CD2 4.04Å; P1294-F1296 HydrophobicContact CG-CE2 3.87Å; P1294-F1296 PolarHBondContact O-N 2.87Å
1297	K	36.1	Very low	35.5	Very low	195.8 Å²	195.8	138 Å²	138	85%	0.851	76%	0.756	S	S	*	*			trans	-109.9	137.8	170.4	-76	169.7	180	175.7	0	112.9	P1295	P1295-K1297 PolarHBondContact O-N 3.4Å; P1295-K1297 VanDerWaalsContact O-N 3.12Å
1298	S	30.5	Very low	34.6	Very low	101.4 Å²	101.4	135.1 Å²	135.1	71%	0.709	76%	0.755	S	S	*	*				46.4	141.3	125.2	175	0	0	0	0	114.8
1299	L	33	Very low	34.1	Very low	161.2 Å²	161.2	135.5 Å²	135.5	84%	0.844	77%	0.765	S	S	*	*			trans	-174.7	152.6	140.2	-110.8	86.2	0	0	0	113
1300	K	31.8	Very low	33.4	Very low	174.6 Å²	174.6	137.3 Å²	137.3	76%	0.759	77%	0.77	S	S	*	*			trans	-132.2	146.9	-162.6	-111.6	-179.1	-177.3	-179	0	110.8
1301	N	31.9	Very low	32.8	Very low	157 Å²	157	139.3 Å²	139.3	84%	0.84	77%	0.774	S	S	*	*			trans	100.8	148.8	143.3	-74.7	-1.1	0	0	0	116.1
1302	G	29.8	Very low	32.2	Very low	70.6 Å²	70.6	138.8 Å²	138.8	73%	0.728	78%	0.776	S	S	*	*			trans	131.8	138.9	145.6	0	0	0	0	0	115.7
1303	Q	30.8	Very low	31.8	Very low	195.4 Å²	195.4	142.8 Å²	142.8	91%	0.913	78%	0.778	S	S	*	*			trans	174.5	163.2	161.9	-91	168.3	-28.8	0	0	113.8
1304	S	26.3	Very low	31.4	Very low	100.8 Å²	100.8	142.2 Å²	142.2	71%	0.705	78%	0.775	S	S	*	*			trans	-104.6	155.1	-175.6	58.3	0	0	0	0	113.9
1305	M	28.7	Very low	31.1	Very low	172.4 Å²	172.4	142.5 Å²	142.5	85%	0.849	78%	0.775	S	S	*	*			trans	112.1	142.5	143.8	-77	-171.8	70.7	0	0	113.8
1306	S	27.1	Very low	30.9	Very low	87.6 Å²	87.6	143.9 Å²	143.9	61%	0.613	78%	0.777	S	S	*	*			cis	155.3	155.3	44.7	71.4	0	0	0	0	113
1307	T	31.4	Very low	30.9	Very low	132.6 Å²	132.6	138.8 Å²	138.8	81%	0.813	77%	0.765	S	S	*	*			trans	81.5	142	157.7	35.5	0	0	0	0	116.2
1308	S	28.9	Very low	30.8	Very low	97.4 Å²	97.4	134.5 Å²	134.5	68%	0.681	76%	0.755	S	S	*	*			trans	-159.7	137.8	138.2	56.8	0	0	0	0	114.2
1309	E	32.2	Very low	30.8	Very low	180 Å²	180	136.2 Å²	136.2	84%	0.841	76%	0.756	S	S	*	*			trans	158.4	144.5	132.8	-93.3	162	-159.1	0	0	115.8	T1311	E1309-T1311 PolarHBondContact O-N 3.38Å
1310	N	30.2	Very low	30.7	Very low	155.4 Å²	155.4	134.9 Å²	134.9	83%	0.831	75%	0.749	S	S	*	*			trans	-96.5	149.8	164.4	-75.4	-42.1	0	0	0	112.5	V1312	N1310-V1312 HydrophobicContact CB-CG2 4.48Å
1311	T	31.4	Very low	30.6	Very low	119.2 Å²	119.2	131.8 Å²	131.8	73%	0.731	75%	0.745	S	S	*	*			trans	-137.1	130.1	158.3	-38.2	0	0	0	0	110.5	E1309 Y1313	E1309-T1311 PolarHBondContact O-N 3.38Å; T1311-Y1313 HydrophobicContact CG2-CD2 4.4Å; T1311-Y1313 HydrophobicContact CG2-CE2 4.04Å
1312	V	30.2	Very low	30.5	Very low	118.8 Å²	118.8	131.8 Å²	131.8	72%	0.72	74%	0.743	S	S	*	*			trans	-124.7	148	148.1	170.4	0	0	0	0	109.7	N1310 L1314	N1310-V1312 HydrophobicContact CB-CG2 4.48Å; V1312-L1314 HydrophobicContact CG1-CD1 3.79Å; V1312-L1314 HydrophobicContact CG1-CG 4Å
1313	Y	29.6	Very low	30.5	Very low	204.6 Å²	204.6	134.8 Å²	134.8	80%	0.802	74%	0.743	S	S	*	*			trans	-128.3	139.2	170.3	-81.8	-77.3	0	0	0	112.6	T1311	T1311-Y1313 HydrophobicContact CG2-CD2 4.4Å; T1311-Y1313 HydrophobicContact CG2-CE2 4.04Å
1314	L	32.2	Very low	30.5	Very low	145 Å²	145	131.9 Å²	131.9	76%	0.759	73%	0.733	S	S	*	*			trans	-135.6	164.1	166.4	-85	108.8	0	0	0	113.1	V1312	V1312-L1314 HydrophobicContact CG1-CD1 3.79Å; V1312-L1314 HydrophobicContact CG1-CG 4Å
1315	T	31.8	Very low	30.9	Very low	113.6 Å²	113.6	132.5 Å²	132.5	70%	0.697	73%	0.734	S	S	*	*			trans	139.7	147.1	152.9	53.9	0	0	0	0	113.8
1316	D	32	Very low	31	Very low	143.6 Å²	143.6	131.1 Å²	131.1	77%	0.768	73%	0.73	S	S	*	*				170.4	153.8	96.5	-104.8	-34.6	0	0	0	111.8
1317	S	33.2	Very low	31.3	Very low	88.2 Å²	88.2	131.9 Å²	131.9	62%	0.617	74%	0.736	S	S	*	*			cis	-179.7	174.5	-22.3	-106.3	0	0	0	0	112.1
1318	T	34.4	Very low	31.3	Very low	104.2 Å²	104.2	132.5 Å²	132.5	64%	0.639	73%	0.734	S	S	*	*			trans	100.7	142	168.8	54	0	0	0	0	119.2	D1227 S1228	D1227-T1318 PolarHBondContact O-OG1 3.43Å; S1228-T1318 CarbonylContact C-O 3.56Å; S1228-T1318 PolarHBondContact N-O 2.92Å; S1228-T1318 PolarHBondContact O-N 3.19Å
1319	D	31	Very low	31.5	Very low	137.2 Å²	137.2	134.3 Å²	134.3	73%	0.734	74%	0.735	S	S	*	*			trans	-81.7	158.7	153.5	-69.2	-60.4	0	0	0	115
1320	I	29.7	Very low	31.3	Very low	135.4 Å²	135.4	134.2 Å²	134.2	69%	0.694	73%	0.732	S	S	*	*			trans	-144.7	130.9	140.8	-84.5	162.5	0	0	0	108.9	E1230 I1322	E1230-I1320 HydrophobicContact CG-CD1 3.78Å; I1320-I1322 HydrophobicContact CG2-CD1 4.49Å; I1320-I1322 HydrophobicContact CG2-CG1 4.13Å
1321	T	30.1	Very low	31.4	Very low	108.4 Å²	108.4	133.7 Å²	133.7	67%	0.665	73%	0.729	S	S	*	*			trans	-143.2	128.3	163.5	-34.7	0	0	0	0	112.5
1322	I	30	Very low	31.3	Very low	157.4 Å²	157.4	136.6 Å²	136.6	81%	0.807	74%	0.735	S	S	*	*			trans	-141.5	126.7	158.3	-59.6	178.6	0	0	0	109.8	I1320	I1320-I1322 HydrophobicContact CG2-CD1 4.49Å; I1320-I1322 HydrophobicContact CG2-CG1 4.13Å
1323	N	29.7	Very low	31.3	Very low	134.6 Å²	134.6	135.2 Å²	135.2	72%	0.72	74%	0.735	S	S	*	*			trans	-142.2	157	-175.4	-105.9	-35	0	0	0	110.6
1324	L	30.7	Very low	31.3	Very low	133.8 Å²	133.8	132.4 Å²	132.4	70%	0.701	73%	0.734	S	S	*	*			trans	-1.8	166.9	130.3	-102.7	58.3	0	0	0	113.1	N1326	L1324-N1326 HydrophobicContact CD2-CB 4.04Å; L1324-N1326 VanDerWaalsContact CD2-CG 3.49Å; L1324-N1326 WeakPolarHBondContact CD2-OD1 3.4Å; L1324-N1326 WeakPolarHBondContact CG-OD1 3.46Å
1325	P	34.1	Very low	31.2	Very low	112.8 Å²	112.8	132.7 Å²	132.7	73%	0.732	74%	0.736	S	S	*	*			cis	-119.8	158.6	24.7	40	-31.2	0	0	0	115.9
1326	N	30	Very low	31.1	Very low	144.2 Å²	144.2	134.2 Å²	134.2	77%	0.771	74%	0.74	S	S	*	*			trans	-44.9	141.8	143.7	-67.8	-25.8	0	0	0	112.7	L1324	L1324-N1326 HydrophobicContact CD2-CB 4.04Å; L1324-N1326 VanDerWaalsContact CD2-CG 3.49Å; L1324-N1326 WeakPolarHBondContact CD2-OD1 3.4Å; L1324-N1326 WeakPolarHBondContact CG-OD1 3.46Å
1327	S	34	Very low	31.2	Very low	104.2 Å²	104.2	133.3 Å²	133.3	73%	0.729	74%	0.739	S	S	*	*				-165.3	137.5	112.3	51.5	0	0	0	0	110.7
1328	D	31.8	Very low	31.2	Very low	143.6 Å²	143.6	134.6 Å²	134.6	77%	0.768	75%	0.745	S	S	*	*				144.6	158.4	70.1	-122.4	-29.4	0	0	0	113.4
1329	L	32.4	Very low	30.9	Very low	136.8 Å²	136.8	136.9 Å²	136.9	72%	0.716	75%	0.752	S	S	*	*			trans	61.8	134.6	156.4	-103.7	62.8	0	0	0	119
1330	K	29.7	Very low	30.7	Very low	177.6 Å²	177.6	135.6 Å²	135.6	77%	0.772	75%	0.753	S	S	*	*			trans	19.5	145.3	150.6	-69	172.5	-174.6	170.2	0	115.3
1331	N	30.9	Very low	30.8	Very low	144.4 Å²	144.4	132.3 Å²	132.3	77%	0.772	75%	0.752	S	S	*	*				164.3	141.5	125	-84.5	-15.4	0	0	0	114.6
1332	Q	29.2	Very low	30.8	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	75%	0.75	S	S	*	*			trans	0.5	132.2	157.1	-75.4	169.7	-40.3	0	0	115.9
1333	A	31.4	Very low	31	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	75%	0.752	S	S	*	*			trans	162.1	144.6	145	0	0	0	0	0	113
1334	N	28.1	Very low	31.1	Very low	145.2 Å²	145.2	133.9 Å²	133.9	78%	0.776	75%	0.751	S	S	*	*			trans	-50.4	138	173.5	-70	-19.1	0	0	0	112.2
1335	L	29.9	Very low	31.1	Very low	150.8 Å²	150.8	133 Å²	133	79%	0.79	76%	0.756	S	S	*	*				-166.8	140.7	66.8	-131.9	82.3	0	0	0	110.7
1336	N	29.9	Very low	31	Very low	146.6 Å²	146.6	132.3 Å²	132.3	78%	0.784	75%	0.754	S	S	*	*			trans	-92.4	122.6	165.9	-77	-15.3	0	0	0	114.5
1337	V	34.3	Very low	31	Very low	124.6 Å²	124.6	132.7 Å²	132.7	76%	0.755	76%	0.755	S	S	*	*			trans	-139.3	142.6	143.5	-170.3	0	0	0	0	111	I1339	V1337-I1339 HydrophobicContact CG1-CD1 3.65Å; V1337-I1339 HydrophobicContact CG1-CG1 3.99Å
1338	P	32.9	Very low	30.8	Very low	115 Å²	115	134.1 Å²	134.1	75%	0.747	75%	0.753	S	S	*	*			trans	-125.1	171.6	165.6	38.9	-28.1	0	0	0	113.5
1339	I	29.5	Very low	30.7	Very low	152.4 Å²	152.4	134.9 Å²	134.9	78%	0.782	75%	0.752	S	S	*	*			trans	-93	145.8	152.7	-57.2	169.5	0	0	0	112.7	V1337 P1502	V1337-I1339 HydrophobicContact CG1-CD1 3.65Å; V1337-I1339 HydrophobicContact CG1-CG1 3.99Å; I1339-P1502 HydrophobicContact CG2-CG 4.38Å
1340	C	27.2	Very low	30.7	Very low	110.4 Å²	110.4	132.9 Å²	132.9	75%	0.746	75%	0.749	S	S	*	*			trans	105.9	145.1	160.7	-131.2	0	0	0	0	116.9
1341	G	31.5	Very low	30.8	Very low	65.2 Å²	65.2	131.8 Å²	131.8	67%	0.672	75%	0.752	S	S	*	*			trans	151.1	91.5	174	0	0	0	0	0	114.2
1342	T	30.5	Very low	30.9	Very low	100.8 Å²	100.8	128.7 Å²	128.7	62%	0.618	76%	0.755	S	S	*	*				20.1	137.7	126.9	59	0	0	0	0	115.1
1343	Y	33.8	Very low	30.9	Very low	218.4 Å²	218.4	124.1 Å²	124.1	86%	0.856	76%	0.755	S	S	*	*			trans	-167.7	122.1	133	-76.7	-70.3	0	0	0	111.7
1344	T	30.6	Very low	31	Very low	115.6 Å²	115.6	123.3 Å²	123.3	71%	0.709	76%	0.756	S	S	*	*				90.6	133	118.5	61.1	0	0	0	0	114.9
1345	S	31.9	Very low	31.2	Very low	113.4 Å²	113.4	123.6 Å²	123.6	79%	0.793	76%	0.758	S	S	*	*				145.5	128.3	128.8	-63.7	0	0	0	0	114.8
1346	S	30.8	Very low	31.3	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	75%	0.75	S	S	*	*				149.1	136.6	56.7	58.1	0	0	0	0	112.9
1347	L	29.8	Very low	31.4	Very low	151.8 Å²	151.8	122.1 Å²	122.1	80%	0.795	75%	0.749	S	S	*	*				88.9	146	84.5	-94	151.9	0	0	0	115.2
1348	I	30.5	Very low	31.2	Very low	134.8 Å²	134.8	122.3 Å²	122.3	69%	0.691	75%	0.746	S	S	*	*				147.3	137.9	125.1	-91	158.7	0	0	0	111.6
1349	E	29.5	Very low	31.3	Very low	160.8 Å²	160.8	123.5 Å²	123.5	75%	0.751	74%	0.744	S	S	*	*				35.2	139.7	122.5	-73.1	175.8	137.2	0	0	117.3
1350	S	33.5	Very low	31.4	Very low	93.2 Å²	93.2	122.3 Å²	122.3	65%	0.652	74%	0.74	S	S	*	*				-178.7	138.5	107.3	-57.2	0	0	0	0	115.2	N1171	N1171-S1350 PolarHBondContact ND2-OG 3.44Å
1351	N	31.7	Very low	31.8	Very low	154.4 Å²	154.4	125 Å²	125	83%	0.826	74%	0.742	S	S	*	*			trans	28	138.3	143.9	-58.8	-45	0	0	0	117.8	H1170	H1170-N1351 PolarHBondContact CD2-ND2 2.04Å; H1170-N1351 PolarHBondContact CE1-ND2 3.34Å; H1170-N1351 PolarHBondContact NE2-ND2 2.81Å
1352	G	31.6	Very low	31.8	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	75%	0.747	S	S	*	*				140.3	125.9	92.7	0	0	0	0	0	113.8
1353	G	30.5	Very low	31.8	Very low	83.2 Å²	83.2	130.7 Å²	130.7	86%	0.858	75%	0.752	S	S	*	*			cis	166.2	156.2	20.2	0	0	0	0	0	113.3
1354	G	32.8	Very low	31.7	Very low	73.2 Å²	73.2	125.5 Å²	125.5	76%	0.755	74%	0.743	S	S	*	*			trans	108.9	120.4	173.2	0	0	0	0	0	117.7
1355	N	32.2	Very low	31.8	Very low	150.4 Å²	150.4	125.8 Å²	125.8	80%	0.804	74%	0.744	S	S	*	*				97.5	143.8	112.2	-100.4	1.5	0	0	0	117.6
1356	T	32	Very low	31.7	Very low	104 Å²	104	125.7 Å²	125.7	64%	0.638	74%	0.743	S	S	*	*			trans	67.3	132	134.8	49.1	0	0	0	0	119.2
1357	H	33.3	Very low	31.6	Very low	161.6 Å²	161.6	126.5 Å²	126.5	75%	0.748	75%	0.747	S	S	*	*				102.4	138.9	108.6	-81.2	-67.5	0	0	0	117.2
1358	N	29.8	Very low	31.7	Very low	128.8 Å²	128.8	122.9 Å²	122.9	69%	0.689	75%	0.746	S	S	*	*				84.2	150.5	82.9	-111.6	-3.1	0	0	0	113.5	N1360	N1358-N1360 PolarHBondContact OD1-ND2 2.94Å
1359	I	35.1	Very low	31.7	Very low	140.4 Å²	140.4	121.7 Å²	121.7	72%	0.72	75%	0.75	S	S	*	*				134.5	129.2	117	-87.4	167.2	0	0	0	112.7
1360	N	30.6	Very low	31.8	Very low	128.4 Å²	128.4	120.7 Å²	120.7	69%	0.687	76%	0.755	S	S	*	*			trans	38.4	133.9	148.8	-64.6	-34	0	0	0	116.7	N1358	N1358-N1360 PolarHBondContact OD1-ND2 2.94Å
1361	Q	35.4	Very low	31.6	Very low	167.6 Å²	167.6	121 Å²	121	78%	0.783	76%	0.757	S	S	*	*				-172.9	142	76.5	-93.8	169.3	40.3	0	0	111.3
1362	K	30.9	Very low	31.5	Very low	182.2 Å²	182.2	119.8 Å²	119.8	79%	0.792	76%	0.755	S	S	*	*				51.2	130.8	108	-85.7	178.8	175	175	0	112.9
1363	S	30.8	Very low	31.6	Very low	103.2 Å²	103.2	122.1 Å²	122.1	72%	0.722	75%	0.753	S	S	*	*				-157.2	147.5	84.9	-84.4	0	0	0	0	112.8
1364	T	32.8	Very low	31.7	Very low	108.6 Å²	108.6	123.3 Å²	123.3	67%	0.666	75%	0.748	S	S	*	*				-170.3	132.3	98.3	-17.3	0	0	0	0	112.3
1365	V	32.5	Very low	32	Very low	121.2 Å²	121.2	125.4 Å²	125.4	74%	0.735	75%	0.748	S	S	*	*				-170.8	140.1	79.3	161.8	0	0	0	0	110.1
1366	C	29.2	Very low	31.9	Very low	112 Å²	112	125.6 Å²	125.6	76%	0.757	75%	0.748	S	S	*	*			trans	-164.6	154.8	135.3	-131	0	0	0	0	112.6
1367	C	29.3	Very low	32	Very low	116.4 Å²	116.4	127.7 Å²	127.7	79%	0.786	75%	0.754	S	S	*	*			trans	-145.7	145.6	172.3	-92.9	0	0	0	0	113.8
1368	G	31.5	Very low	31.8	Very low	75.4 Å²	75.4	125.7 Å²	125.7	78%	0.777	75%	0.754	S	S	*	*			trans	-165.9	133.9	166.2	0	0	0	0	0	111.9
1369	S	31.5	Very low	31.9	Very low	110.6 Å²	110.6	123.8 Å²	123.8	77%	0.773	76%	0.756	S	S	*	*			cis	-154.6	141.7	40.7	56.6	0	0	0	0	111.7
1370	V	29.8	Very low	31.9	Very low	139.4 Å²	139.4	124.5 Å²	124.5	85%	0.845	76%	0.759	S	S	*	*			trans	51.6	125.3	158.2	-178.3	0	0	0	0	112.8
1371	S	29.3	Very low	32	Very low	99.2 Å²	99.2	124.5 Å²	124.5	69%	0.694	76%	0.764	S	S	*	*				-138.2	158.7	117.1	-10.7	0	0	0	0	110.1	T1373	S1371-T1373 PolarHBondContact O-N 2.86Å
1372	V	30.1	Very low	32	Very low	129.2 Å²	129.2	121.4 Å²	121.4	78%	0.783	76%	0.758	S	S	*	*			trans	-67.3	116.1	130.5	-161.5	0	0	0	0	113.1
1373	T	33.3	Very low	32.1	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	75%	0.754	S	S	*	*			trans	162.8	138.1	136.2	36.4	0	0	0	0	117.2	S1371	S1371-T1373 PolarHBondContact O-N 2.86Å
1374	S	32.6	Very low	32.2	Very low	108.6 Å²	108.6	118.9 Å²	118.9	76%	0.759	76%	0.758	S	S	*	*			trans	-71.5	169.9	160.2	-37.3	0	0	0	0	111.9
1375	P	39.3	Very low	32.1	Very low	117.8 Å²	117.8	118.7 Å²	118.7	77%	0.765	76%	0.761	S	S	*	*				-126.5	169.8	60.7	32.1	-15.1	0	0	0	113.9
1376	L	31	Very low	32.1	Very low	154.2 Å²	154.2	117.6 Å²	117.6	81%	0.807	76%	0.759	S	S	*	*				115.1	144	114	-154.8	67.8	0	0	0	113.6
1377	I	33.2	Very low	32.3	Very low	148.6 Å²	148.6	116.5 Å²	116.5	76%	0.762	75%	0.753	S	S	*	*			trans	-32.2	128.2	157	-66	169.3	0	0	0	113.8
1378	T	30.3	Very low	32.4	Very low	119 Å²	119	115.2 Å²	115.2	73%	0.73	74%	0.744	S	S	*	*				152.8	129.4	120.2	-53.5	0	0	0	0	113.8
1379	A	31	Very low	32.5	Very low	88.8 Å²	88.8	117.3 Å²	117.3	73%	0.734	74%	0.743	S	S	*	*			trans	178.7	160.9	138	0	0	0	0	0	115.6
1380	I	34.9	Very low	32.7	Very low	155.8 Å²	155.8	118.5 Å²	118.5	80%	0.799	75%	0.745	S	S	*	*			trans	114.9	123.4	141.2	-64.9	168.9	0	0	0	114.6
1381	T	32.5	Very low	33	Very low	127.8 Å²	127.8	116.9 Å²	116.9	78%	0.784	74%	0.737	S	S	*	*			trans	-95.1	157.1	159.1	40	0	0	0	0	113.5
1382	P	36.5	Very low	33.4	Very low	101.4 Å²	101.4	117.3 Å²	117.3	66%	0.658	74%	0.738	S	S	*	*				-136.1	167.9	128.2	33.3	-13.9	0	0	0	115.6
1383	S	32	Very low	33.5	Very low	102 Å²	102	118.3 Å²	118.3	71%	0.713	74%	0.738	S	S	*	*				90.8	133	129.2	64.8	0	0	0	0	117.6
1384	V	32.9	Very low	33.6	Very low	131.6 Å²	131.6	120.2 Å²	120.2	80%	0.798	74%	0.735	S	S	*	*			trans	42	126.2	138.6	-139	0	0	0	0	115.1
1385	S	31.8	Very low	33.8	Very low	104.6 Å²	104.6	119.2 Å²	119.2	73%	0.731	73%	0.726	S	S	*	*				-168.3	166	124.6	23.2	0	0	0	0	115	T1413 D1414	S1385-T1413 WeakPolarHBondContact CB-OG1 3.23Å; S1385-D1414 WeakPolarHBondContact CB-OD1 3.28Å; S1385-D1414 PolarHBondContact OG-OD1 3.46Å; S1385-D1414 VanDerWaalsContact OG-OD1 3.11Å; S1385-D1414 PolarHBondContact OG-OD2 3.31Å
1386	S	32.3	Very low	33.5	Very low	97.8 Å²	97.8	122.3 Å²	122.3	68%	0.684	73%	0.728	S	S	*	*			trans	-42	137	173.4	57.9	0	0	0	0	116.2	L1411 T1413	S1386-L1411 WeakPolarHBondContact CB-O 3.04Å; S1386-T1413 VanDerWaalsContact CB-N 3.31Å; S1386-T1413 WeakPolarHBondContact CB-OG1 3.42Å; S1386-T1413 PolarHBondContact N-OG1 3.43Å; S1386-T1413 PolarHBondContact OG-N 3.24Å; S1386-T1413 PolarHBondContact OG-O 2.82Å; S1386-T1413 PolarHBondContact OG-OG1 3.3Å
1387	S	32.5	Very low	33.5	Very low	90 Å²	90	124.3 Å²	124.3	63%	0.629	73%	0.726	S	S	*	*				136.7	135.6	106.3	54.9	0	0	0	0	114.4	L1411 T1499	S1387-L1411 CarbonylContact C-O 3.39Å; S1387-L1411 WeakPolarHBondContact CB-O 3.01Å; S1387-L1411 PolarHBondContact OG-O 3.42Å; S1387-T1499 WeakPolarHBondContact OG-CG2 3.49Å
1388	S	31.6	Very low	33.4	Very low	87.8 Å²	87.8	122.1 Å²	122.1	61%	0.614	72%	0.724	S	S	*	*			trans	84.3	144.7	142.5	66.6	0	0	0	0	116.8	Y1410 T1499	S1388-Y1410 VanDerWaalsContact C-CB 3.43Å; S1388-T1499 VanDerWaalsContact CB-N 3.33Å; S1388-T1499 PolarHBondContact OG-N 3.08Å
1389	T	33.6	Very low	33.5	Very low	121 Å²	121	122.4 Å²	122.4	74%	0.742	73%	0.726	S	S	*	*			trans	84.9	129.3	155.3	12.8	0	0	0	0	116	P1391	T1389-P1391 HydrophobicContact CG2-CB 4.37Å
1390	V	36.6	Very low	33.6	Very low	134.4 Å²	134.4	122.5 Å²	122.5	82%	0.815	73%	0.726	S	S	*	*			trans	-114.7	132.6	165.7	176.9	0	0	0	0	112.3
1391	P	36.3	Very low	33.5	Very low	106 Å²	106	124.2 Å²	124.2	69%	0.688	72%	0.724	S	S	*	*			trans	-99.1	-166.8	-164.4	36.9	-30.5	0	0	0	113.5	T1389	T1389-P1391 HydrophobicContact CG2-CB 4.37Å
1392	P	36.9	Very low	33.6	Very low	107.8 Å²	107.8	122.8 Å²	122.8	70%	0.7	72%	0.72	S	S	*	*				-111	171.7	-113.2	36.5	-25.8	0	0	0	114.8	H1694	P1392-H1694 PolarHBondContact O-CE1 3.46Å; P1392-H1694 PolarHBondContact O-ND1 3.21Å
1393	L	32.9	Very low	33.5	Very low	149.8 Å²	149.8	125 Å²	125	78%	0.784	72%	0.719	S	S	*	*			trans	-87.6	132.9	153.3	-79.1	139.6	0	0	0	115.4	H1694	L1393-H1694 WeakPolarHBondContact CA-CE1 3.37Å; L1393-H1694 VanDerWaalsContact CA-ND1 3.34Å; L1393-H1694 WeakPolarHBondContact CA-ND1 3Å; L1393-H1694 WeakPolarHBondContact CA-NE2 3.46Å; L1393-H1694 HydrophobicContact CB-CB 3.41Å; L1393-H1694 VanDerWaalsContact CB-CB 3.41Å; L1393-H1694 WeakPolarHBondContact CB-CD2 3.49Å; L1393-H1694 WeakPolarHBondContact CB-CE1 2.98Å; L1393-H1694 WeakPolarHBondContact CB-ND1 3.44Å; L1393-H1694 WeakPolarHBondContact CB-NE2 3.45Å; L1393-H1694 HydrophobicContact CD1-CB 3.56Å; L1393-H1694 WeakPolarHBondContact CD1-CE1 3.1Å; L1393-H1694 WeakPolarHBondContact CD1-ND1 3.38Å; L1393-H1694 HydrophobicContact CD2-CB 4.09Å; L1393-H1694 WeakPolarHBondContact CD2-CD2 3.47Å; L1393-H1694 WeakPolarHBondContact CD2-NE2 2.87Å; L1393-H1694 HydrophobicContact CG-CB 3.46Å; L1393-H1694 VanDerWaalsContact CG-CB 3.46Å; L1393-H1694 WeakPolarHBondContact CG-CD2 3.23Å; L1393-H1694 WeakPolarHBondContact CG-CE1 3.11Å; L1393-H1694 WeakPolarHBondContact CG-ND1 3.32Å; L1393-H1694 WeakPolarHBondContact CG-NE2 2.25Å
1394	F	34.1	Very low	33.6	Very low	169.2 Å²	169.2	125.3 Å²	125.3	74%	0.742	72%	0.721	S	S	*	*			trans	-53.5	160	152	-73.1	-100.6	0	0	0	115.9	K1403 S1693 H1694	F1394-K1403 HydrophobicContact CD1-CD 4.19Å; F1394-K1403 VanDerWaalsContact CD1-CE 3.41Å; F1394-K1403 HydrophobicContact CE1-CD 3.67Å; F1394-K1403 VanDerWaalsContact CE1-CE 3.41Å; F1394-K1403 HydrophobicContact CE2-CD 4.25Å; F1394-K1403 HydrophobicContact CZ-CD 3.7Å; F1394-S1693 WeakPolarHBondContact O-CB 3.27Å; F1394-H1694 AromaticContact CD2-NE2 3.46Å; F1394-H1694 WeakPolarHBondContact CD2-NE2 3.42Å; F1394-H1694 PolarHBondContact N-NE2 2.73Å
1395	P	37.1	Very low	33.7	Very low	87.8 Å²	87.8	125.1 Å²	125.1	57%	0.57	72%	0.72	S	S	*	*				-117.2	167.6	-67.7	35.2	-21.3	0	0	0	112.9	Y1397	P1395-Y1397 VanDerWaalsContact C-N 3.32Å; P1395-Y1397 HydrophobicContact CB-CD2 3.92Å; P1395-Y1397 HydrophobicContact CB-CE2 4.24Å; P1395-Y1397 HydrophobicContact CG-CD2 4.03Å; P1395-Y1397 HydrophobicContact CG-CE2 4.38Å; P1395-Y1397 PolarHBondContact O-N 2.89Å
1396	F	33.3	Very low	33.8	Very low	182.4 Å²	182.4	125 Å²	125	80%	0.8	72%	0.719	S	S	*	*			trans	157.4	106.3	155.9	-79.4	-71.5	0	0	0	114.9	S1398 Y1401	F1396-S1398 VanDerWaalsContact C-N 3.27Å; F1396-S1398 PolarHBondContact O-N 3.4Å; F1396-Y1401 PolarHBondContact N-OH 3.09Å
1397	Y	30.4	Very low	34	Very low	197.4 Å²	197.4	126.2 Å²	126.2	77%	0.774	73%	0.725	S	S	*	*			trans	25	117.7	141.6	-90.1	-83.2	0	0	0	115.8	P1395 T1399 Y1401	P1395-Y1397 VanDerWaalsContact C-N 3.32Å; P1395-Y1397 HydrophobicContact CB-CD2 3.92Å; P1395-Y1397 HydrophobicContact CB-CE2 4.24Å; P1395-Y1397 HydrophobicContact CG-CD2 4.03Å; P1395-Y1397 HydrophobicContact CG-CE2 4.38Å; P1395-Y1397 PolarHBondContact O-N 2.89Å; Y1397-T1399 VanDerWaalsContact CD1-OG1 3.27Å; Y1397-T1399 WeakPolarHBondContact CD1-OG1 3.24Å; Y1397-T1399 PolarHBondContact O-N 2.91Å; Y1397-Y1401 AromaticContact CD1-CD2 3.91Å; Y1397-Y1401 HydrophobicContact CD1-CD2 3.91Å; Y1397-Y1401 AromaticContact CD1-CE2 3.9Å; Y1397-Y1401 HydrophobicContact CD1-CE2 3.9Å; Y1397-Y1401 HydrophobicContact CD2-CD2 4.18Å; Y1397-Y1401 AromaticContact CD2-CE2 3.42Å; Y1397-Y1401 HydrophobicContact CD2-CE2 3.42Å; Y1397-Y1401 VanDerWaalsContact CD2-CE2 3.42Å; Y1397-Y1401 AromaticContact CE1-CD2 3.93Å; Y1397-Y1401 HydrophobicContact CE1-CD2 3.93Å; Y1397-Y1401 HydrophobicContact CE1-CE2 4.15Å; Y1397-Y1401 HydrophobicContact CE2-CD2 4.21Å; Y1397-Y1401 AromaticContact CE2-CE2 3.7Å; Y1397-Y1401 HydrophobicContact CE2-CE2 3.7Å; Y1397-Y1401 HydrophobicContact CG-CD2 4.03Å; Y1397-Y1401 AromaticContact CG-CE2 3.52Å; Y1397-Y1401 HydrophobicContact CG-CE2 3.52Å
1398	S	31.1	Very low	34	Very low	102.6 Å²	102.6	130.3 Å²	130.3	72%	0.717	74%	0.736	S	S	*	*				126.3	130.5	126	-125	0	0	0	0	115.9	F1396	F1396-S1398 VanDerWaalsContact C-N 3.27Å; F1396-S1398 PolarHBondContact O-N 3.4Å
1399	T	32.4	Very low	34	Very low	125.2 Å²	125.2	129.6 Å²	129.6	77%	0.768	74%	0.735	S	S	*	*				-162.4	115.2	105.6	36.3	0	0	0	0	117.4	Y1397 Y1401	Y1397-T1399 VanDerWaalsContact CD1-OG1 3.27Å; Y1397-T1399 WeakPolarHBondContact CD1-OG1 3.24Å; Y1397-T1399 PolarHBondContact O-N 2.91Å; T1399-Y1401 PolarHBondContact O-N 3.23Å
1400	A	34.2	Very low	33.9	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	74%	0.74	S	S	*	*			trans	55.3	108.1	147.3	0	0	0	0	0	117.5	S1402	A1400-S1402 VanDerWaalsContact C-N 3.33Å; A1400-S1402 PolarHBondContact O-N 3.46Å
1401	Y	33.6	Very low	33.9	Very low	191 Å²	191	133.9 Å²	133.9	75%	0.749	73%	0.734	S	S	*	*			trans	-144.6	125.8	131.8	-130.7	-93.2	0	0	0	113.8	F1396 Y1397 T1399 K1403	F1396-Y1401 PolarHBondContact N-OH 3.09Å; Y1397-Y1401 AromaticContact CD1-CD2 3.91Å; Y1397-Y1401 HydrophobicContact CD1-CD2 3.91Å; Y1397-Y1401 AromaticContact CD1-CE2 3.9Å; Y1397-Y1401 HydrophobicContact CD1-CE2 3.9Å; Y1397-Y1401 HydrophobicContact CD2-CD2 4.18Å; Y1397-Y1401 AromaticContact CD2-CE2 3.42Å; Y1397-Y1401 HydrophobicContact CD2-CE2 3.42Å; Y1397-Y1401 VanDerWaalsContact CD2-CE2 3.42Å; Y1397-Y1401 AromaticContact CE1-CD2 3.93Å; Y1397-Y1401 HydrophobicContact CE1-CD2 3.93Å; Y1397-Y1401 HydrophobicContact CE1-CE2 4.15Å; Y1397-Y1401 HydrophobicContact CE2-CD2 4.21Å; Y1397-Y1401 AromaticContact CE2-CE2 3.7Å; Y1397-Y1401 HydrophobicContact CE2-CE2 3.7Å; Y1397-Y1401 HydrophobicContact CG-CD2 4.03Å; Y1397-Y1401 AromaticContact CG-CE2 3.52Å; Y1397-Y1401 HydrophobicContact CG-CE2 3.52Å; T1399-Y1401 PolarHBondContact O-N 3.23Å; Y1401-K1403 HydrophobicContact CD1-CD 4.43Å; Y1401-K1403 HydrophobicContact CD1-CG 4.22Å; Y1401-K1403 HydrophobicContact CE1-CD 3.64Å; Y1401-K1403 HydrophobicContact CE1-CG 3.85Å; Y1401-K1403 PolarHBondContact O-N 2.95Å; Y1401-K1403 WeakPolarHBondContact OH-CE 3.23Å; Y1401-K1403 PolarHBondContact OH-NZ 2.97Å
1402	S	34.6	Very low	34.1	Very low	99.8 Å²	99.8	133.7 Å²	133.7	70%	0.698	73%	0.733	S	S	*	*			trans	-103.6	133.5	179.9	39.9	0	0	0	0	114.6	A1400 S1404	A1400-S1402 VanDerWaalsContact C-N 3.33Å; A1400-S1402 PolarHBondContact O-N 3.46Å; S1402-S1404 PolarHBondContact O-N 3.28Å
1403	K	33.8	Very low	34	Very low	146 Å²	146	133.2 Å²	133.2	64%	0.635	73%	0.728	S	S	*	*			trans	169.8	127.5	148.5	-84.2	173.2	169.1	163.7	0	114.9	F1394 Y1401 V1405 H1433 N1434	F1394-K1403 HydrophobicContact CD1-CD 4.19Å; F1394-K1403 VanDerWaalsContact CD1-CE 3.41Å; F1394-K1403 HydrophobicContact CE1-CD 3.67Å; F1394-K1403 VanDerWaalsContact CE1-CE 3.41Å; F1394-K1403 HydrophobicContact CE2-CD 4.25Å; F1394-K1403 HydrophobicContact CZ-CD 3.7Å; Y1401-K1403 HydrophobicContact CD1-CD 4.43Å; Y1401-K1403 HydrophobicContact CD1-CG 4.22Å; Y1401-K1403 HydrophobicContact CE1-CD 3.64Å; Y1401-K1403 HydrophobicContact CE1-CG 3.85Å; Y1401-K1403 PolarHBondContact O-N 2.95Å; Y1401-K1403 WeakPolarHBondContact OH-CE 3.23Å; Y1401-K1403 PolarHBondContact OH-NZ 2.97Å; K1403-V1405 PolarHBondContact O-N 3.22Å; K1403-V1405 VanDerWaalsContact O-N 3.07Å; K1403-H1433 WeakPolarHBondContact CE-O 3.44Å; K1403-H1433 PolarHBondContact NZ-CD2 3.42Å; K1403-H1433 PolarHBondContact NZ-CE1 3.02Å; K1403-H1433 PolarHBondContact NZ-ND1 3.13Å; K1403-H1433 PolarHBondContact NZ-NE2 3.41Å; K1403-H1433 VanDerWaalsContact NZ-NE2 3.12Å; K1403-H1433 PolarHBondContact NZ-O 2.94Å; K1403-N1434 PolarHBondContact NZ-OD1 3.23Å
1404	S	34.6	Very low	34.2	Very low	108.2 Å²	108.2	132.7 Å²	132.7	76%	0.757	73%	0.726	S	S	*	*			trans	-126.5	127.4	152.1	38.6	0	0	0	0	112.6	S1402 S1406 L1432	S1402-S1404 PolarHBondContact O-N 3.28Å; S1404-S1406 PolarHBondContact O-N 3.03Å; S1404-S1406 VanDerWaalsContact O-N 3.11Å; S1404-L1432 WeakPolarHBondContact CA-O 3.38Å
1405	V	34.3	Very low	34.1	Very low	129 Å²	129	130.9 Å²	130.9	78%	0.782	73%	0.725	S	S	*	*			trans	-165.1	118.4	151.7	-175.4	0	0	0	0	114.1	K1403 L1432	K1403-V1405 PolarHBondContact O-N 3.22Å; K1403-V1405 VanDerWaalsContact O-N 3.07Å; V1405-L1432 PolarHBondContact N-O 3.48Å
1406	S	33.9	Very low	34	Very low	101.2 Å²	101.2	133.9 Å²	133.9	71%	0.708	74%	0.735	S	S	*	*			trans	-39	161.3	153.5	-55.1	0	0	0	0	117	S1404 M1408	S1404-S1406 PolarHBondContact O-N 3.03Å; S1404-S1406 VanDerWaalsContact O-N 3.11Å; S1406-M1408 PolarHBondContact O-N 2.77Å
1407	P	36.6	Very low	34	Very low	123 Å²	123	129.9 Å²	129.9	80%	0.799	73%	0.725	S	S	*	*			trans	-105.5	147	-160.5	37.4	-31.3	0	0	0	114.5
1408	M	31.9	Very low	34.1	Very low	177 Å²	177	126.4 Å²	126.4	87%	0.872	73%	0.725	S	S	*	*			trans	170.2	140	157.2	-103.6	-127.8	-102	0	0	114.8	S1406	S1406-M1408 PolarHBondContact O-N 2.77Å
1409	A	32.4	Very low	34.1	Very low	72.8 Å²	72.8	128.3 Å²	128.3	60%	0.602	72%	0.722	S	S	*	*			trans	-132.6	146.6	154.3	0	0	0	0	0	117.3	L1411	A1409-L1411 HydrophobicContact CB-CD1 4.45Å
1410	Y	31.9	Very low	34.1	Very low	212 Å²	212	127.4 Å²	127.4	83%	0.831	72%	0.717	S	S	*	*			trans	109.5	112.2	143.3	-84	-78.7	0	0	0	117.1	S1388	S1388-Y1410 VanDerWaalsContact C-CB 3.43Å
1411	L	36.6	Very low	34	Very low	132.8 Å²	132.8	127.9 Å²	127.9	70%	0.695	71%	0.711	S	S	*	*			trans	-94.5	165.8	151.1	-96.6	130.8	0	0	0	110.4	S1386 S1387 A1409 T1413	S1386-L1411 WeakPolarHBondContact CB-O 3.04Å; S1387-L1411 CarbonylContact C-O 3.39Å; S1387-L1411 WeakPolarHBondContact CB-O 3.01Å; S1387-L1411 PolarHBondContact OG-O 3.42Å; A1409-L1411 HydrophobicContact CB-CD1 4.45Å; L1411-T1413 WeakPolarHBondContact CB-OG1 3.29Å; L1411-T1413 HydrophobicContact CD2-CG2 3.96Å; L1411-T1413 WeakPolarHBondContact CD2-OG1 3.31Å; L1411-T1413 HydrophobicContact CG-CG2 3.79Å
1412	P	38.8	Very low	34	Very low	102.6 Å²	102.6	125.6 Å²	125.6	67%	0.666	71%	0.711	S	S	*	*				-119.2	159.2	58.1	25	-7.5	0	0	0	115.6
1413	T	36	Very low	34	Very low	97.6 Å²	97.6	126.1 Å²	126.1	60%	0.599	71%	0.711	S	S	*	*				54.9	141.8	118.2	60.8	0	0	0	0	116.3	S1385 S1386 L1411	S1385-T1413 WeakPolarHBondContact CB-OG1 3.23Å; S1386-T1413 VanDerWaalsContact CB-N 3.31Å; S1386-T1413 WeakPolarHBondContact CB-OG1 3.42Å; S1386-T1413 PolarHBondContact N-OG1 3.43Å; S1386-T1413 PolarHBondContact OG-N 3.24Å; S1386-T1413 PolarHBondContact OG-O 2.82Å; S1386-T1413 PolarHBondContact OG-OG1 3.3Å; L1411-T1413 WeakPolarHBondContact CB-OG1 3.29Å; L1411-T1413 HydrophobicContact CD2-CG2 3.96Å; L1411-T1413 WeakPolarHBondContact CD2-OG1 3.31Å; L1411-T1413 HydrophobicContact CG-CG2 3.79Å
1414	D	36.3	Very low	33.8	Very low	140 Å²	140	126.2 Å²	126.2	75%	0.749	72%	0.719	S	S	*	*				-159.7	154.4	66.7	-84.2	-24.9	0	0	0	114	S1385	S1385-D1414 WeakPolarHBondContact CB-OD1 3.28Å; S1385-D1414 PolarHBondContact OG-OD1 3.46Å; S1385-D1414 VanDerWaalsContact OG-OD1 3.11Å; S1385-D1414 PolarHBondContact OG-OD2 3.31Å
1415	D	32.8	Very low	33.8	Very low	131.4 Å²	131.4	126.3 Å²	126.3	70%	0.703	72%	0.719	S	S	*	*			trans	-20.4	147.1	161.3	-91	-34.2	0	0	0	116.9	T1417	D1415-T1417 HydrophobicContact CB-CG2 4.4Å
1416	L	35.4	Very low	33.6	Very low	150.4 Å²	150.4	127.1 Å²	127.1	79%	0.787	72%	0.72	S	S	*	*				164	135.2	101.5	-152.2	66.2	0	0	0	117.5
1417	T	32.8	Very low	33.7	Very low	97 Å²	97	130.4 Å²	130.4	60%	0.595	72%	0.724	S	S	*	*			trans	-13.2	141.4	163.3	51.2	0	0	0	0	117.4	D1415	D1415-T1417 HydrophobicContact CB-CG2 4.4Å
1418	T	32.9	Very low	33.4	Very low	124 Å²	124	131.7 Å²	131.7	76%	0.761	72%	0.724	S	S	*	*				143.6	155.1	123.3	28.4	0	0	0	0	115.9
1419	Q	30.5	Very low	33.4	Very low	142.6 Å²	142.6	128.5 Å²	128.5	67%	0.666	72%	0.719	S	S	*	*			trans	158.9	132.1	143.9	-91.9	-168.3	19.1	0	0	117.1	S1497 T1498	Q1419-S1497 WeakPolarHBondContact CB-O 3.33Å; Q1419-S1497 PolarHBondContact OE1-O 2.86Å; Q1419-T1498 VanDerWaalsContact C-OG1 3.26Å; Q1419-T1498 WeakPolarHBondContact CA-OG1 3.35Å; Q1419-T1498 WeakPolarHBondContact CB-OG1 3.45Å; Q1419-T1498 WeakPolarHBondContact CG-OG1 3.3Å; Q1419-T1498 PolarHBondContact NE2-O 3.28Å
1420	T	31.6	Very low	33.4	Very low	107.4 Å²	107.4	131.9 Å²	131.9	66%	0.659	73%	0.727	S	S	*	*			trans	88.7	142.2	138	-37.9	0	0	0	0	118.5	S1497 T1498	T1420-S1497 WeakPolarHBondContact O-CB 3.37Å; T1420-T1498 PolarHBondContact N-OG1 2.88Å
1421	T	32.9	Very low	33.4	Very low	100 Å²	100	128.3 Å²	128.3	61%	0.613	72%	0.721	S	S	*	*			trans	165.6	138.8	154.3	13.3	0	0	0	0	115.9	C1496 S1497	T1421-C1496 WeakPolarHBondContact OG1-CA 3.42Å; T1421-C1496 WeakPolarHBondContact OG1-CB 3.33Å; T1421-C1496 PolarHBondContact OG1-SG 2.97Å; T1421-S1497 VanDerWaalsContact CA-CB 3.49Å; T1421-S1497 VanDerWaalsContact CG2-CB 3.43Å; T1421-S1497 WeakPolarHBondContact CG2-OG 3.02Å; T1421-S1497 PolarHBondContact OG1-N 2.66Å
1422	L	33.1	Very low	33.2	Very low	143.8 Å²	143.8	128 Å²	128	75%	0.753	72%	0.719	S	S	*	*				51.7	153.5	125.3	-86.8	114.9	0	0	0	115.5
1423	P	35.8	Very low	32.9	Very low	108.8 Å²	108.8	129.7 Å²	129.7	71%	0.706	72%	0.718	S	S	*	*			cis	-138.7	175	7.7	37.9	-19.4	0	0	0	116.5
1424	N	29.8	Very low	32.7	Very low	148.2 Å²	148.2	130.9 Å²	130.9	79%	0.793	72%	0.721	S	S	*	*			trans	34	135.7	157.6	-62.3	-15.7	0	0	0	120.8
1425	S	32.9	Very low	32.6	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	72%	0.72	S	S	*	*			trans	162.7	138.6	133.5	68.5	0	0	0	0	116.2
1426	N	31.3	Very low	32.7	Very low	146.8 Å²	146.8	129 Å²	129	79%	0.785	72%	0.719	S	S	*	*			trans	-4.6	129.8	159.1	-56.6	-23.7	0	0	0	117.1
1427	Q	34.5	Very low	32.6	Very low	170 Å²	170	128.2 Å²	128.2	79%	0.794	72%	0.72	S	S	*	*				-174.4	134.3	121.9	-76.9	-166.2	7.7	0	0	113.1
1428	N	30.9	Very low	32.6	Very low	150.2 Å²	150.2	128 Å²	128	80%	0.803	73%	0.729	S	S	*	*			trans	167.1	144.4	141.1	-73.3	-34.4	0	0	0	113.4
1429	S	32.8	Very low	32.7	Very low	110.4 Å²	110.4	126.5 Å²	126.5	77%	0.772	73%	0.729	S	S	*	*			trans	136.6	132.2	151.1	-127.6	0	0	0	0	114.1
1430	L	31.8	Very low	32.8	Very low	144.4 Å²	144.4	127.3 Å²	127.3	76%	0.756	74%	0.737	S	S	*	*				94.2	133.9	79.8	-141.2	105	0	0	0	113.7	L1432	L1430-L1432 HydrophobicContact CD2-CD1 4.38Å; L1430-L1432 HydrophobicContact CG-CD1 4.49Å
1431	L	32.3	Very low	33	Very low	135.2 Å²	135.2	128.5 Å²	128.5	71%	0.708	74%	0.744	S	S	*	*			trans	-164	126.1	143.7	-111.6	131.8	0	0	0	112.3
1432	L	31.7	Very low	33.1	Very low	127 Å²	127	127.1 Å²	127.1	67%	0.665	75%	0.75	S	S	*	*				45	151.7	117.9	-98	62.6	0	0	0	116.1	S1404 V1405 L1430	S1404-L1432 WeakPolarHBondContact CA-O 3.38Å; V1405-L1432 PolarHBondContact N-O 3.48Å; L1430-L1432 HydrophobicContact CD2-CD1 4.38Å; L1430-L1432 HydrophobicContact CG-CD1 4.49Å
1433	H	32.1	Very low	33.3	Very low	139.4 Å²	139.4	125.5 Å²	125.5	65%	0.645	76%	0.757	S	S	*	*			trans	-137.3	152.7	150.6	-78	-81.1	0	0	0	114.6	K1403	K1403-H1433 WeakPolarHBondContact CE-O 3.44Å; K1403-H1433 PolarHBondContact NZ-CD2 3.42Å; K1403-H1433 PolarHBondContact NZ-CE1 3.02Å; K1403-H1433 PolarHBondContact NZ-ND1 3.13Å; K1403-H1433 PolarHBondContact NZ-NE2 3.41Å; K1403-H1433 VanDerWaalsContact NZ-NE2 3.12Å; K1403-H1433 PolarHBondContact NZ-O 2.94Å
1434	N	33.1	Very low	33.3	Very low	122.4 Å²	122.4	123.8 Å²	123.8	66%	0.655	76%	0.759	S	S	*	*				158.9	130.9	72.8	-90.4	-12.9	0	0	0	111.7	K1403	K1403-N1434 PolarHBondContact NZ-OD1 3.23Å
1435	V	33.2	Very low	33.8	Very low	122 Å²	122	128.7 Å²	128.7	74%	0.739	77%	0.767	S	S	*	*				179.1	123.7	99.9	161.8	0	0	0	0	109.6
1436	T	34.2	Very low	34	Very low	109.6 Å²	109.6	128.5 Å²	128.5	67%	0.672	77%	0.771	S	S	*	*			trans	-160.7	145.9	151.8	9.3	0	0	0	0	112.7
1437	T	34.6	Very low	34.3	Very low	132.6 Å²	132.6	125.4 Å²	125.4	81%	0.813	77%	0.774	S	S	*	*			trans	84.1	123.9	144.4	6.5	0	0	0	0	116.8
1438	A	33.3	Very low	34.4	Very low	93.4 Å²	93.4	121.6 Å²	121.6	77%	0.772	77%	0.772	S	S	*	*				150.4	126.5	102.8	0	0	0	0	0	112.6
1439	A	33.2	Very low	34.6	Very low	92.6 Å²	92.6	122.1 Å²	122.1	77%	0.765	77%	0.774	S	S	*	*				110	144	105.8	0	0	0	0	0	111
1440	L	34.4	Very low	34.8	Very low	158.4 Å²	158.4	120.9 Å²	120.9	83%	0.829	77%	0.772	S	S	*	*			cis	-155.2	141.3	15.9	-135.9	121.7	0	0	0	110.7
1441	V	34.7	Very low	34.9	Very low	133.2 Å²	133.2	118.7 Å²	118.7	81%	0.807	77%	0.774	S	S	*	*			trans	50.8	131.4	145.1	180	0	0	0	0	114.5
1442	G	35.3	Very low	34.8	Very low	71.6 Å²	71.6	117 Å²	117	74%	0.738	78%	0.779	S	S	*	*			trans	162.1	109.1	160.6	0	0	0	0	0	115.1
1443	A	37.1	Very low	34.9	Very low	109.4 Å²	109.4	115.4 Å²	115.4	90%	0.904	79%	0.785	S	S	*	*			trans	-154.7	137.5	144.5	0	0	0	0	0	111.7
1444	G	36.6	Very low	35	Very low	73.4 Å²	73.4	115.5 Å²	115.5	76%	0.757	80%	0.795	S	S	*	*			trans	161.9	118.6	173.5	0	0	0	0	0	114.5
1445	R	39.3	Very low	34.9	Very low	251.6 Å²	251.6	114.1 Å²	114.1	95%	0.949	80%	0.8	S	S	*	*				75.4	106.6	113.3	-86.3	-177	176	-143.4	-1.6	116.2
1446	A	38.1	Very low	34.8	Very low	105 Å²	105	112.5 Å²	112.5	87%	0.868	80%	0.8	S	S	*	*				162.5	138	115.5	0	0	0	0	0	115.2
1447	G	36.6	Very low	34.8	Very low	80.6 Å²	80.6	111.7 Å²	111.7	83%	0.831	80%	0.804	S	S	*	*			trans	157.6	138.4	157	0	0	0	0	0	114.6
1448	A	36.6	Very low	34.7	Very low	92.2 Å²	92.2	109.5 Å²	109.5	76%	0.762	80%	0.799	S	S	*	*			trans	-136.6	145.2	-148.8	0	0	0	0	0	113.1
1449	N	36	Very low	34.6	Very low	159 Å²	159	109.7 Å²	109.7	85%	0.85	80%	0.801	S	S	*	*			trans	150.4	147.6	140	-89.1	-10.6	0	0	0	116.5
1450	A	36.5	Very low	34.7	Very low	86.8 Å²	86.8	110.1 Å²	110.1	72%	0.717	81%	0.805	S	S	*	*			trans	64.4	123.1	161.7	0	0	0	0	0	118.5
1451	A	33.1	Very low	34.6	Very low	97.8 Å²	97.8	110.1 Å²	110.1	81%	0.808	81%	0.806	S	S	*	*				147.2	136.8	121.9	0	0	0	0	0	116.9
1452	A	30.9	Very low	35.1	Very low	98.2 Å²	98.2	108.9 Å²	108.9	81%	0.812	80%	0.8	S	S	*	*			trans	109.6	138.3	151.3	0	0	0	0	0	117.9
1453	A	33.9	Very low	35.1	Very low	95.2 Å²	95.2	111.7 Å²	111.7	79%	0.787	80%	0.803	S	S	*	*			trans	90.1	124.2	160	0	0	0	0	0	116.3
1454	V	33.2	Very low	35.1	Very low	140.4 Å²	140.4	111.1 Å²	111.1	85%	0.851	80%	0.798	S	S	*	*			cis	120.3	119.6	37.7	173.4	0	0	0	0	113	A1456	V1454-A1456 HydrophobicContact CG1-CB 4.11Å
1455	A	31.9	Very low	35	Very low	92.8 Å²	92.8	111.9 Å²	111.9	77%	0.767	80%	0.797	S	S	*	*			trans	-142.7	126.5	158.2	0	0	0	0	0	114.7	Q1232	Q1232-A1455 HydrophobicContact CG-CB 4.18Å; Q1232-A1455 PolarHBondContact NE2-O 3.01Å
1456	A	31.9	Very low	34.8	Very low	89 Å²	89	108.2 Å²	108.2	74%	0.736	79%	0.791	S	S	*	*			trans	-159.3	140.5	163.2	0	0	0	0	0	114.2	V1454	V1454-A1456 HydrophobicContact CG1-CB 4.11Å
1457	A	33.6	Very low	34.6	Very low	92 Å²	92	108.4 Å²	108.4	76%	0.76	78%	0.781	S	S	*	*			trans	117	127.7	164	0	0	0	0	0	114.5	Y1233	Y1233-A1457 WeakPolarHBondContact CB-O 3.23Å; Y1233-A1457 WeakPolarHBondContact CD2-O 3.37Å; Y1233-A1457 VanDerWaalsContact CG-O 3.27Å
1458	A	31.9	Very low	34.5	Very low	86 Å²	86	111.4 Å²	111.4	71%	0.711	78%	0.777	S	S	*	*			trans	62.1	129.9	143.7	0	0	0	0	0	116.7	E1230	E1230-A1458 CarbonylContact O-C 3.26Å; E1230-A1458 VanDerWaalsContact O-C 3.26Å; E1230-A1458 VanDerWaalsContact O-CA 3.31Å; E1230-A1458 WeakPolarHBondContact O-CA 3.5Å; E1230-A1458 WeakPolarHBondContact O-CB 3.4Å; E1230-A1458 PolarHBondContact O-N 3.06Å; E1230-A1458 VanDerWaalsContact O-O 3.06Å
1459	A	32.1	Very low	34.4	Very low	99 Å²	99	112.2 Å²	112.2	82%	0.818	77%	0.772	S	S	*	*				115.3	153.9	129.9	0	0	0	0	0	115.6
1460	A	35.1	Very low	34.4	Very low	101.2 Å²	101.2	110.8 Å²	110.8	84%	0.836	77%	0.77	S	S	*	*			trans	89.5	102.8	165.1	0	0	0	0	0	118
1461	N	32.9	Very low	34.3	Very low	158.2 Å²	158.2	110.6 Å²	110.6	85%	0.846	77%	0.768	S	S	*	*			trans	-72	166.5	154.3	-106.1	-5.8	0	0	0	111.6
1462	P	43.9	Very low	34.4	Very low	106.6 Å²	106.6	110.9 Å²	110.9	69%	0.692	76%	0.764	S	S	*	*			cis	-141.7	172.2	40.4	40.6	-22.9	0	0	0	118.2
1463	T	36.5	Very low	34.5	Very low	131.4 Å²	131.4	112.1 Å²	112.1	81%	0.806	76%	0.762	S	S	*	*			trans	38.7	140.7	150.8	50.9	0	0	0	0	120.3
1464	A	35.9	Very low	34.5	Very low	96.8 Å²	96.8	113.1 Å²	113.1	80%	0.8	76%	0.759	S	S	*	*				152.9	150.3	120.8	0	0	0	0	0	115.2
1465	A	35.1	Very low	34.5	Very low	89.4 Å²	89.4	112.7 Å²	112.7	74%	0.739	76%	0.756	S	S	*	*			trans	67.1	151	151.6	0	0	0	0	0	117.7
1466	E	35.4	Very low	34.5	Very low	174.2 Å²	174.2	115.5 Å²	115.5	81%	0.814	76%	0.756	S	S	*	*			cis	-168.2	156.6	10.1	-108.9	178	136.6	0	0	110.7
1467	V	33.3	Very low	34.5	Very low	110 Å²	110	116.3 Å²	116.3	67%	0.667	76%	0.756	S	S	*	*			cis	100.5	137.7	49.8	134.9	0	0	0	0	112.7
1468	I	35.1	Very low	34.6	Very low	142.4 Å²	142.4	117.5 Å²	117.5	73%	0.73	76%	0.759	S	S	*	*				116.5	130.6	117.3	-85.4	174.1	0	0	0	115.4
1469	T	35.2	Very low	34.8	Very low	109.8 Å²	109.8	116.7 Å²	116.7	67%	0.674	76%	0.759	S	S	*	*				111.2	150.3	72.9	1.9	0	0	0	0	116.8
1470	T	34.8	Very low	34.9	Very low	128.6 Å²	128.6	118.2 Å²	118.2	79%	0.789	76%	0.759	S	S	*	*			trans	65.1	132.3	146.6	31.8	0	0	0	0	121
1471	A	34.9	Very low	34.9	Very low	83.8 Å²	83.8	120.8 Å²	120.8	69%	0.693	76%	0.758	S	S	*	*			cis	151	158	21.2	0	0	0	0	0	115.5
1472	S	34.5	Very low	34.8	Very low	104 Å²	104	119.5 Å²	119.5	73%	0.727	75%	0.751	S	S	*	*				89.6	137.6	122.8	-61.9	0	0	0	0	120.2
1473	T	34	Very low	34.4	Very low	124.2 Å²	124.2	120.2 Å²	120.2	76%	0.762	75%	0.753	S	S	*	*			trans	60.1	136.6	135.3	41.7	0	0	0	0	118.3
1474	T	33.3	Very low	34.2	Very low	116 Å²	116	121.9 Å²	121.9	71%	0.712	75%	0.754	S	S	*	*				109.9	119.9	70.4	33.1	0	0	0	0	116
1475	V	32.4	Very low	34.1	Very low	131.6 Å²	131.6	122.1 Å²	122.1	80%	0.798	75%	0.749	S	S	*	*				76.5	151.1	121	-111.7	0	0	0	0	117.6
1476	I	32.7	Very low	34	Very low	151 Å²	151	122.9 Å²	122.9	77%	0.774	75%	0.749	S	S	*	*			trans	-89	141.9	131.2	-46.5	165.8	0	0	0	113.4
1477	S	32.5	Very low	34.1	Very low	105.6 Å²	105.6	118.8 Å²	118.8	74%	0.738	74%	0.74	S	S	*	*				-178.9	155.2	90.1	-85.5	0	0	0	0	114
1478	S	34.3	Very low	34.3	Very low	117.4 Å²	117.4	120.2 Å²	120.2	82%	0.821	74%	0.744	S	S	*	*			trans	174.5	140.5	-179.3	-49.5	0	0	0	0	112.1
1479	G	37.6	Very low	34.4	Very low	69 Å²	69	120.1 Å²	120.1	71%	0.711	75%	0.745	S	S	*	*			trans	133.4	118.9	160	0	0	0	0	0	115.4
1480	T	34.1	Very low	34.3	Very low	131.4 Å²	131.4	121.4 Å²	121.4	81%	0.806	75%	0.748	S	S	*	*				73.2	138.5	123.1	49.7	0	0	0	0	115.6
1481	L	34.2	Very low	34.2	Very low	154.8 Å²	154.8	122.9 Å²	122.9	81%	0.81	75%	0.748	S	S	*	*			trans	145.9	146.6	146.7	-93.9	145.7	0	0	0	111.9
1482	D	31.1	Very low	34.1	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	75%	0.75	S	S	*	*			cis	-147.1	154.3	9.4	-102.9	-19.4	0	0	0	113.2	M1484	D1482-M1484 HydrophobicContact CB-CG 4.29Å
1483	V	34.9	Very low	34.1	Very low	121 Å²	121	127.6 Å²	127.6	73%	0.733	75%	0.751	S	S	*	*			trans	96.4	110.7	136.2	176.7	0	0	0	0	114.5
1484	M	33.1	Very low	33.9	Very low	167.6 Å²	167.6	128.1 Å²	128.1	83%	0.826	75%	0.749	S	S	*	*				20.2	154.2	129.6	-57.9	178.1	51.5	0	0	119.4	D1482	D1482-M1484 HydrophobicContact CB-CG 4.29Å
1485	S	32.7	Very low	33.9	Very low	102 Å²	102	127.7 Å²	127.7	71%	0.713	75%	0.746	S	S	*	*				151.8	134.8	129.9	-117.3	0	0	0	0	114.9
1486	S	34.2	Very low	33.7	Very low	105.2 Å²	105.2	126.9 Å²	126.9	74%	0.736	75%	0.745	S	S	*	*			trans	100.7	135.3	140.3	172.8	0	0	0	0	115.3
1487	S	37.3	Very low	33.6	Very low	89.4 Å²	89.4	123.9 Å²	123.9	63%	0.625	74%	0.737	S	S	*	*			cis	173.4	152.5	19.1	48.7	0	0	0	0	111.4
1488	N	37.8	Very low	33.5	Very low	137.8 Å²	137.8	124.1 Å²	124.1	74%	0.737	74%	0.735	S	S	*	*			trans	114.6	136	130.6	-71.1	-10	0	0	0	115.8
1489	N	36.1	Very low	33.3	Very low	141.4 Å²	141.4	123.3 Å²	123.3	76%	0.756	73%	0.725	S	S	*	*			trans	84.2	130.1	147.8	-57.4	-11.5	0	0	0	114.8
1490	D	34	Very low	33	Very low	136.6 Å²	136.6	126 Å²	126	73%	0.73	73%	0.727	S	S	*	*				-171.3	141.3	61	-83.1	-38.4	0	0	0	110.1
1491	M	32.1	Very low	32.9	Very low	160.6 Å²	160.6	123.9 Å²	123.9	79%	0.791	72%	0.717	S	S	*	*				153.9	140	77.1	-147.6	-177.9	24.4	0	0	113.2
1492	L	33.5	Very low	33.2	Very low	141.2 Å²	141.2	121.5 Å²	121.5	74%	0.739	71%	0.711	S	S	*	*			trans	-123.4	138.3	164.8	-95.2	147.2	0	0	0	112.4
1493	I	33.8	Very low	33.4	Very low	145 Å²	145	121 Å²	121	74%	0.744	71%	0.713	S	S	*	*				101.8	133.8	119.7	-61.4	172	0	0	0	114.1
1494	D	31.2	Very low	33.3	Very low	135.2 Å²	135.2	121.2 Å²	121.2	72%	0.723	71%	0.71	S	S	*	*				112.1	147.1	77.5	-129.6	-3.7	0	0	0	117.9
1495	T	32.6	Very low	33.4	Very low	107.8 Å²	107.8	119.6 Å²	119.6	66%	0.661	71%	0.71	S	S	*	*			trans	45.4	128.7	152.1	-21.4	0	0	0	0	119.2
1496	C	28.4	Very low	33.5	Very low	114.8 Å²	114.8	120.1 Å²	120.1	78%	0.776	71%	0.713	S	S	*	*			trans	170.6	120	137.8	-82.8	0	0	0	0	116.9	T1421	T1421-C1496 WeakPolarHBondContact OG1-CA 3.42Å; T1421-C1496 WeakPolarHBondContact OG1-CB 3.33Å; T1421-C1496 PolarHBondContact OG1-SG 2.97Å
1497	S	30.1	Very low	33.5	Very low	86.6 Å²	86.6	124.1 Å²	124.1	61%	0.606	72%	0.717	S	S	*	*			trans	-60	139.3	154.8	-74.6	0	0	0	0	115.9	Q1419 T1420 T1421 T1499	Q1419-S1497 WeakPolarHBondContact CB-O 3.33Å; Q1419-S1497 PolarHBondContact OE1-O 2.86Å; T1420-S1497 WeakPolarHBondContact O-CB 3.37Å; T1421-S1497 VanDerWaalsContact CA-CB 3.49Å; T1421-S1497 VanDerWaalsContact CG2-CB 3.43Å; T1421-S1497 WeakPolarHBondContact CG2-OG 3.02Å; T1421-S1497 PolarHBondContact OG1-N 2.66Å; S1497-T1499 VanDerWaalsContact C-N 3.34Å; S1497-T1499 PolarHBondContact O-N 3.04Å; S1497-T1499 VanDerWaalsContact O-N 3.15Å
1498	T	30.4	Very low	33.6	Very low	110.8 Å²	110.8	126.9 Å²	126.9	68%	0.68	73%	0.725	S	S	*	*			trans	174.8	113.2	133	-8.1	0	0	0	0	115.9	Q1419 T1420	Q1419-T1498 VanDerWaalsContact C-OG1 3.26Å; Q1419-T1498 WeakPolarHBondContact CA-OG1 3.35Å; Q1419-T1498 WeakPolarHBondContact CB-OG1 3.45Å; Q1419-T1498 WeakPolarHBondContact CG-OG1 3.3Å; Q1419-T1498 PolarHBondContact NE2-O 3.28Å; T1420-T1498 PolarHBondContact N-OG1 2.88Å
1499	T	29.4	Very low	33.5	Very low	100.8 Å²	100.8	126.1 Å²	126.1	62%	0.618	73%	0.725	S	S	*	*			trans	-4.4	134.9	155.5	49.9	0	0	0	0	118.1	S1387 S1388 S1497 S1501	S1387-T1499 WeakPolarHBondContact OG-CG2 3.49Å; S1388-T1499 VanDerWaalsContact CB-N 3.33Å; S1388-T1499 PolarHBondContact OG-N 3.08Å; S1497-T1499 VanDerWaalsContact C-N 3.34Å; S1497-T1499 PolarHBondContact O-N 3.04Å; S1497-T1499 VanDerWaalsContact O-N 3.15Å; T1499-S1501 PolarHBondContact O-N 3.5Å; T1499-S1501 VanDerWaalsContact O-N 3.13Å; T1499-S1501 PolarHBondContact O-OG 2.04Å
1500	V	32.5	Very low	33.7	Very low	125.2 Å²	125.2	127.7 Å²	127.7	76%	0.759	73%	0.73	S	S	*	*			trans	-134.9	126.5	150.1	-144.8	0	0	0	0	111
1501	S	32.4	Very low	33.8	Very low	86.2 Å²	86.2	128.1 Å²	128.1	60%	0.603	73%	0.732	S	S	*	*			trans	-109	170.3	166.2	24.2	0	0	0	0	111.4	T1499	T1499-S1501 PolarHBondContact O-N 3.5Å; T1499-S1501 VanDerWaalsContact O-N 3.13Å; T1499-S1501 PolarHBondContact O-OG 2.04Å
1502	P	40.1	Very low	34.1	Very low	104.8 Å²	104.8	127.5 Å²	127.5	68%	0.681	73%	0.732	S	S	*	*			cis	-116.9	-176.8	-40.9	32	-18.3	0	0	0	113	I1339	I1339-P1502 HydrophobicContact CG2-CG 4.38Å
1503	V	35	Very low	34.3	Very low	121.8 Å²	121.8	126.4 Å²	126.4	74%	0.738	73%	0.732	S	S	*	*			trans	134.6	113.7	153	-179.5	0	0	0	0	114.2
1504	D	32.7	Very low	34.5	Very low	125 Å²	125	127 Å²	127	67%	0.668	73%	0.731	S	S	*	*			trans	-122.2	139.9	163.4	-94.7	-42.3	0	0	0	116.3
1505	T	34.7	Very low	34.8	Very low	133.6 Å²	133.6	129 Å²	129	82%	0.82	73%	0.734	S	S	*	*			trans	146.6	140.8	138.6	31.8	0	0	0	0	114.4
1506	S	34.8	Very low	35	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	73%	0.734	S	S	*	*				-138.7	154.5	120.2	-111.1	0	0	0	0	113.2	D1508	S1506-D1508 VanDerWaalsContact C-N 3.32Å; S1506-D1508 PolarHBondContact O-N 3.46Å
1507	K	35.1	Very low	35.6	Very low	188.8 Å²	188.8	130.4 Å²	130.4	82%	0.821	73%	0.728	S	S	*	*			trans	-117	125.5	161.8	-73.3	175.2	-179.8	174.2	0	111.6	V1509	K1507-V1509 PolarHBondContact O-N 2.48Å
1508	D	38.3	Very low	36	Very low	149.6 Å²	149.6	132.2 Å²	132.2	80%	0.8	73%	0.73	S	S	*	*			trans	-117	112.2	152.2	-74.3	-31	0	0	0	110.6	S1506 M1510	S1506-D1508 VanDerWaalsContact C-N 3.32Å; S1506-D1508 PolarHBondContact O-N 3.46Å; D1508-M1510 PolarHBondContact O-N 3.16Å
1509	V	36.1	Very low	36.5	Very low	120.8 Å²	120.8	134.8 Å²	134.8	73%	0.732	74%	0.736	S	S	*	*				62.5	108.1	98.8	179	0	0	0	0	111.8	K1507 N1511	K1507-V1509 PolarHBondContact O-N 2.48Å; V1509-N1511 VanDerWaalsContact C-N 3.34Å; V1509-N1511 PolarHBondContact O-N 3.31Å
1510	M	40	Very low	37	Very low	175.2 Å²	175.2	137.2 Å²	137.2	86%	0.863	74%	0.74	S	S	*	*			trans	-136.3	119.3	156.2	-79.7	-167.6	-105.4	0	0	110.9	D1508 D1512	D1508-M1510 PolarHBondContact O-N 3.16Å; M1510-D1512 PolarHBondContact O-N 2.84Å; M1510-D1512 VanDerWaalsContact O-N 3.15Å
1511	N	36.7	Very low	37.2	Very low	144.6 Å²	144.6	138.1 Å²	138.1	77%	0.773	74%	0.741	S	S	*	*			trans	-107.6	121.7	172.2	-122.2	-6.1	0	0	0	111.6	V1509 T1513	V1509-N1511 VanDerWaalsContact C-N 3.34Å; V1509-N1511 PolarHBondContact O-N 3.31Å; N1511-T1513 VanDerWaalsContact C-N 3.31Å; N1511-T1513 PolarHBondContact O-N 2.75Å; N1511-T1513 PolarHBondContact O-OG1 2.89Å
1512	D	38	Very low	37.4	Very low	147.6 Å²	147.6	138.8 Å²	138.8	79%	0.789	75%	0.746	S	S	*	*			trans	-81.7	124.6	172.5	-84.9	-46.3	0	0	0	113.9	M1510 Q1514	M1510-D1512 PolarHBondContact O-N 2.84Å; M1510-D1512 VanDerWaalsContact O-N 3.15Å; D1512-Q1514 PolarHBondContact O-N 3.21Å
1513	T	38.9	Very low	37.2	Very low	118.6 Å²	118.6	144.5 Å²	144.5	73%	0.728	75%	0.754	S	S	*	*			trans	-99.1	102.3	170	36.6	0	0	0	0	113.5	N1511 F1515	N1511-T1513 VanDerWaalsContact C-N 3.31Å; N1511-T1513 PolarHBondContact O-N 2.75Å; N1511-T1513 PolarHBondContact O-OG1 2.89Å; T1513-F1515 HydrophobicContact CG2-CE2 4.06Å; T1513-F1515 WeakPolarHBondContact O-CD2 3.47Å; T1513-F1515 PolarHBondContact O-N 2.92Å; T1513-F1515 WeakPolarHBondContact OG1-CE2 3.07Å
1514	Q	37.3	Very low	37.6	Very low	158 Å²	158	149.3 Å²	149.3	74%	0.738	76%	0.759	S	S	*	*			trans	-67.2	105.4	169.9	-105.9	179.5	12.7	0	0	113.3	D1512 N1516	D1512-Q1514 PolarHBondContact O-N 3.21Å; Q1514-N1516 VanDerWaalsContact C-N 3.28Å; Q1514-N1516 PolarHBondContact O-N 2.89Å; Q1514-N1516 VanDerWaalsContact O-N 3.16Å
1515	F	37.1	Very low	38.1	Very low	176.8 Å²	176.8	150.4 Å²	150.4	78%	0.775	76%	0.76	S	S	*	*			trans	-82.1	96.2	165.3	-85.7	-86.7	0	0	0	111	T1513 I1517	T1513-F1515 HydrophobicContact CG2-CE2 4.06Å; T1513-F1515 WeakPolarHBondContact O-CD2 3.47Å; T1513-F1515 PolarHBondContact O-N 2.92Å; T1513-F1515 WeakPolarHBondContact OG1-CE2 3.07Å; F1515-I1517 VanDerWaalsContact C-N 3.29Å; F1515-I1517 HydrophobicContact CB-CG1 4.26Å; F1515-I1517 HydrophobicContact CD1-CD1 4.19Å; F1515-I1517 HydrophobicContact CD1-CG1 4.16Å; F1515-I1517 PolarHBondContact O-N 3.17Å
1516	N	37.9	Very low	38.7	Very low	124 Å²	124	149.8 Å²	149.8	66%	0.663	76%	0.759	S	S	*	*			trans	-85.4	85.3	170.9	-114.6	-17	0	0	0	110.1	Q1514 I1518	Q1514-N1516 VanDerWaalsContact C-N 3.28Å; Q1514-N1516 PolarHBondContact O-N 2.89Å; Q1514-N1516 VanDerWaalsContact O-N 3.16Å; N1516-I1518 VanDerWaalsContact C-N 3.31Å; N1516-I1518 PolarHBondContact O-N 2.96Å
1517	I	39.6	Very low	39.1	Very low	128.6 Å²	128.6	152.8 Å²	152.8	66%	0.659	76%	0.76	S	S	*	*			trans	-75.4	98.4	175	-57.8	178.9	0	0	0	108.6	F1515 M1519	F1515-I1517 VanDerWaalsContact C-N 3.29Å; F1515-I1517 HydrophobicContact CB-CG1 4.26Å; F1515-I1517 HydrophobicContact CD1-CD1 4.19Å; F1515-I1517 HydrophobicContact CD1-CG1 4.16Å; F1515-I1517 PolarHBondContact O-N 3.17Å; I1517-M1519 VanDerWaalsContact C-N 3.35Å; I1517-M1519 HydrophobicContact CG2-CG 4Å; I1517-M1519 PolarHBondContact O-N 3.13Å
1518	I	39.8	Very low	39.4	Very low	124 Å²	124	152.5 Å²	152.5	64%	0.636	76%	0.759	S	S	*	*			trans	-77.1	103.3	171.4	-59.5	176.7	0	0	0	108.1	N1516 E1520	N1516-I1518 VanDerWaalsContact C-N 3.31Å; N1516-I1518 PolarHBondContact O-N 2.96Å; I1518-E1520 VanDerWaalsContact C-N 3.28Å; I1518-E1520 HydrophobicContact CG2-CB 3.83Å; I1518-E1520 HydrophobicContact CG2-CG 3.71Å; I1518-E1520 PolarHBondContact O-N 3.2Å
1519	M	39.8	Very low	39.5	Very low	164 Å²	164	148.7 Å²	148.7	81%	0.808	76%	0.755	S	S	*	*			trans	-76	75	170.4	-72.3	-149.2	-70.3	0	0	110.5	I1517 N1521	I1517-M1519 VanDerWaalsContact C-N 3.35Å; I1517-M1519 HydrophobicContact CG2-CG 4Å; I1517-M1519 PolarHBondContact O-N 3.13Å; M1519-N1521 PolarHBondContact O-N 3.04Å
1520	E	40.1	Very low	39.6	Very low	151.6 Å²	151.6	150.5 Å²	150.5	71%	0.708	76%	0.759	S	S	*	*			trans	-92.6	126.3	172.7	-70.2	-168.8	145.2	0	0	111.3	K1279 I1518 S1522	K1279-E1520 IonicContact NZ-OE1 3.35Å; K1279-E1520 PolarHBondContact NZ-OE1 3.39Å; I1518-E1520 VanDerWaalsContact C-N 3.28Å; I1518-E1520 HydrophobicContact CG2-CB 3.83Å; I1518-E1520 HydrophobicContact CG2-CG 3.71Å; I1518-E1520 PolarHBondContact O-N 3.2Å; E1520-S1522 VanDerWaalsContact C-N 3.33Å; E1520-S1522 PolarHBondContact O-N 3.32Å; E1520-S1522 VanDerWaalsContact O-N 3.09Å
1521	N	36.6	Very low	39.9	Very low	144.2 Å²	144.2	150 Å²	150	77%	0.771	76%	0.759	S	S	*	*			trans	-68.7	86.8	173.2	-82.1	-50.8	0	0	0	113.2	M1519 W1523	M1519-N1521 PolarHBondContact O-N 3.04Å; N1521-W1523 PolarHBondContact O-N 2.81Å; N1521-W1523 PolarHBondContact OD1-NE1 3.16Å
1522	S	36.3	Very low	40.2	Very low	101.6 Å²	101.6	152.1 Å²	152.1	71%	0.71	76%	0.762	S	S	*	*			trans	-130	67.7	170.8	-131.4	0	0	0	0	112.7	E1520 R1524	E1520-S1522 VanDerWaalsContact C-N 3.33Å; E1520-S1522 PolarHBondContact O-N 3.32Å; E1520-S1522 VanDerWaalsContact O-N 3.09Å; S1522-R1524 PolarHBondContact O-N 3.32Å
1523	W	36.2	Very low	40.4	Very low	223.6 Å²	223.6	152 Å²	152	85%	0.847	76%	0.761	S	S	*	*			trans	-94.4	88	164.6	-81.4	83.8	0	0	0	110.5	K1279 N1521 Q1525	K1279-W1523 VanDerWaalsContact NZ-CZ2 3.29Å; N1521-W1523 PolarHBondContact O-N 2.81Å; N1521-W1523 PolarHBondContact OD1-NE1 3.16Å; W1523-Q1525 HydrophobicContact CE3-CG 4.44Å; W1523-Q1525 PolarHBondContact O-N 2.79Å
1524	R	42.5	Very low	40.6	Very low	223 Å²	223	154.5 Å²	154.5	84%	0.842	76%	0.761	S	S	*	*			trans	-94.9	110	167.2	-74.3	-174	173	-102.6	-1	110.3	S1522 P1526	S1522-R1524 PolarHBondContact O-N 3.32Å; R1524-P1526 WeakPolarHBondContact O-CD 3.38Å
1525	Q	44.9	Very low	40.9	Very low	148 Å²	148	152.6 Å²	152.6	69%	0.692	76%	0.756	S	S	*	*			trans	-23.6	128.7	161.6	-67.5	-168.4	-54.9	0	0	114	W1523 E1527	W1523-Q1525 HydrophobicContact CE3-CG 4.44Å; W1523-Q1525 PolarHBondContact O-N 2.79Å; Q1525-E1527 VanDerWaalsContact C-N 3.31Å; Q1525-E1527 PolarHBondContact O-N 3.05Å
1526	P	45.7	Very low	41.2	Very low	121.8 Å²	121.8	152.8 Å²	152.8	79%	0.791	76%	0.76	S	S	*	*			trans	-75.8	122.9	154	31.9	-30.2	0	0	0	109.1	R1524 K1528	R1524-P1526 WeakPolarHBondContact O-CD 3.38Å; P1526-K1528 HydrophobicContact CB-CG 4.26Å; P1526-K1528 HydrophobicContact CG-CG 4.39Å; P1526-K1528 PolarHBondContact O-N 3.25Å
1527	E	43	Very low	41.2	Very low	174.4 Å²	174.4	150.7 Å²	150.7	82%	0.815	77%	0.768	S	S	*	*			trans	-76.8	136.9	177	-86.4	-166.6	152.3	0	0	111.6	Q1525 G1529	Q1525-E1527 VanDerWaalsContact C-N 3.31Å; Q1525-E1527 PolarHBondContact O-N 3.05Å; E1527-G1529 PolarHBondContact O-N 3.27Å; E1527-G1529 VanDerWaalsContact O-N 3.13Å
1528	K	43	Very low	41	Very low	181.6 Å²	181.6	148.2 Å²	148.2	79%	0.79	77%	0.773	S	S	*	*			trans	-35.3	115.1	175.2	-64	174	-178.8	172.3	0	112.1	P1526 I1530	P1526-K1528 HydrophobicContact CB-CG 4.26Å; P1526-K1528 HydrophobicContact CG-CG 4.39Å; P1526-K1528 PolarHBondContact O-N 3.25Å; K1528-I1530 VanDerWaalsContact C-N 3.28Å; K1528-I1530 WeakPolarHBondContact O-CG1 2.83Å; K1528-I1530 PolarHBondContact O-N 3.01Å
1529	G	40.4	Very low	40.7	Very low	71 Å²	71	147.2 Å²	147.2	73%	0.732	78%	0.778	S	S	*	*			trans	-100.9	107.3	172.7	0	0	0	0	0	113.8	E1527 L1531	E1527-G1529 PolarHBondContact O-N 3.27Å; E1527-G1529 VanDerWaalsContact O-N 3.13Å; G1529-L1531 VanDerWaalsContact C-N 3.31Å; G1529-L1531 PolarHBondContact O-N 3.11Å
1530	I	37.4	Very low	40.4	Very low	157.6 Å²	157.6	148.9 Å²	148.9	81%	0.808	78%	0.776	S	S	*	*			trans	-62.5	107.5	175.8	-50.6	172.4	0	0	0	111.8	K1528 K1532	K1528-I1530 VanDerWaalsContact C-N 3.28Å; K1528-I1530 WeakPolarHBondContact O-CG1 2.83Å; K1528-I1530 PolarHBondContact O-N 3.01Å; I1530-K1532 VanDerWaalsContact C-N 3.34Å; I1530-K1532 HydrophobicContact CG2-CG 4.03Å; I1530-K1532 PolarHBondContact O-N 3.39Å
1531	L	45.7	Very low	40.2	Very low	165 Å²	165	148.2 Å²	148.2	86%	0.864	78%	0.778	S	S	*	*			trans	-98.4	117.7	159.8	-102.1	109.6	0	0	0	111.4	G1529 N1533	G1529-L1531 VanDerWaalsContact C-N 3.31Å; G1529-L1531 PolarHBondContact O-N 3.11Å; L1531-N1533 VanDerWaalsContact C-N 3.31Å; L1531-N1533 PolarHBondContact O-N 2.81Å
1532	K	43.4	Very low	40.2	Very low	190 Å²	190	147.1 Å²	147.1	83%	0.826	78%	0.776	S	S	*	*			trans	-81.5	116.7	162.5	-94.9	173.6	-179.9	176.1	0	110.7	I1530 K1534	I1530-K1532 VanDerWaalsContact C-N 3.34Å; I1530-K1532 HydrophobicContact CG2-CG 4.03Å; I1530-K1532 PolarHBondContact O-N 3.39Å; K1532-K1534 PolarHBondContact O-N 2.91Å
1533	N	43.5	Very low	40.1	Very low	144.6 Å²	144.6	146.2 Å²	146.2	77%	0.773	77%	0.769	S	S	*	*			trans	-101.6	138.9	143.4	-147.9	-3.5	0	0	0	110.5	L1531 N1535	L1531-N1533 VanDerWaalsContact C-N 3.31Å; L1531-N1533 PolarHBondContact O-N 2.81Å; N1533-N1535 PolarHBondContact ND2-OD1 3.25Å; N1533-N1535 PolarHBondContact OD1-N 3.29Å; N1533-N1535 PolarHBondContact OD1-OD1 3.2Å
1534	K	42.7	Very low	40	Very low	170.6 Å²	170.6	142.7 Å²	142.7	74%	0.742	77%	0.768	S	S	*	*			trans	-113	129.2	150.8	-126.3	-170.3	173.6	-154.1	0	109.7	K1532 E1536	K1532-K1534 PolarHBondContact O-N 2.91Å; K1534-E1536 IonicContact NZ-OE1 2.69Å; K1534-E1536 PolarHBondContact NZ-OE1 3.05Å
1535	N	44.1	Very low	39.7	Very low	118.2 Å²	118.2	136.7 Å²	136.7	63%	0.632	76%	0.759	S	S	*	*			trans	176.3	136.2	139.9	-70.3	-2.7	0	0	0	111	N1533	N1533-N1535 PolarHBondContact ND2-OD1 3.25Å; N1533-N1535 PolarHBondContact OD1-N 3.29Å; N1533-N1535 PolarHBondContact OD1-OD1 3.2Å
1536	E	43.2	Very low	39.4	Very low	180.8 Å²	180.8	134.8 Å²	134.8	85%	0.845	76%	0.762	S	S	*	*				17.4	134.4	123	-63	166.5	-166.7	0	0	117.1	K1534	K1534-E1536 IonicContact NZ-OE1 2.69Å; K1534-E1536 PolarHBondContact NZ-OE1 3.05Å
1537	G	36.7	Very low	39	Very low	80.6 Å²	80.6	133.5 Å²	133.5	83%	0.831	76%	0.756	S	S	*	*			trans	166.2	148.4	142.1	0	0	0	0	0	115
1538	G	35.9	Very low	38.8	Very low	75.4 Å²	75.4	131.9 Å²	131.9	78%	0.777	75%	0.752	S	S	*	*			trans	112.6	134.8	170.2	0	0	0	0	0	112.8
1539	S	32.7	Very low	38.5	Very low	104.4 Å²	104.4	129.6 Å²	129.6	73%	0.73	75%	0.748	S	S	*	*			cis	97.1	135.5	41	-149.1	0	0	0	0	113.4
1540	Y	34.3	Very low	38.3	Very low	198.2 Å²	198.2	132.3 Å²	132.3	78%	0.777	75%	0.751	S	S	*	*			trans	-45.7	124.7	165.9	-61.1	-80.5	0	0	0	116.2	N2000	Y1540-N2000 WeakPolarHBondContact CB-ND2 3.39Å
1541	N	34.9	Very low	38.3	Very low	138.6 Å²	138.6	128.4 Å²	128.4	74%	0.741	74%	0.742	S	S	*	*				-144.2	144.8	126.3	-88.4	-34.8	0	0	0	115.1	S1543 N1999	N1541-S1543 WeakPolarHBondContact OD1-CB 3.09Å; N1541-S1543 PolarHBondContact OD1-OG 3.1Å; N1541-N1999 PolarHBondContact O-OD1 2.83Å
1542	V	37.3	Very low	38.2	Very low	119.2 Å²	119.2	125.6 Å²	125.6	72%	0.722	73%	0.732	S	S	*	*				-166	142	109.6	156.4	0	0	0	0	111	N1999 N2000	V1542-N1999 VanDerWaalsContact C-CG 3.49Å; V1542-N1999 PolarHBondContact N-ND2 2.87Å; V1542-N1999 PolarHBondContact N-OD1 3.36Å; V1542-N1999 PolarHBondContact O-ND2 2.98Å; V1542-N1999 VanDerWaalsContact O-ND2 3.12Å; V1542-N2000 HydrophobicContact CB-CB 4.36Å; V1542-N2000 HydrophobicContact CG2-CB 3.56Å; V1542-N2000 VanDerWaalsContact N-CG 3.31Å
1543	S	33.7	Very low	37.9	Very low	82.8 Å²	82.8	121.3 Å²	121.3	58%	0.579	72%	0.718	S	S	*	*			trans	126.1	137.1	-179.4	-55	0	0	0	0	114.3	N1541 N1998 N1999	N1541-S1543 WeakPolarHBondContact OD1-CB 3.09Å; N1541-S1543 PolarHBondContact OD1-OG 3.1Å; S1543-N1998 WeakPolarHBondContact O-CB 2.95Å; S1543-N1998 PolarHBondContact O-ND2 3.31Å; S1543-N1999 PolarHBondContact N-ND2 3.39Å; S1543-N1999 WeakPolarHBondContact O-CB 3.44Å; S1543-N1999 PolarHBondContact O-ND2 2.95Å
1544	N	35.9	Very low	37.8	Very low	151.6 Å²	151.6	123.4 Å²	123.4	81%	0.811	72%	0.715	S	S	*	*			trans	70.1	139.8	136	-71.4	-2.6	0	0	0	117.6
1545	S	36	Very low	37.6	Very low	95.8 Å²	95.8	124.6 Å²	124.6	67%	0.67	72%	0.715	S	S	*	*			cis	-175.8	141.2	27.7	-73.1	0	0	0	0	113.2
1546	S	36.8	Very low	37.6	Very low	108 Å²	108	125.6 Å²	125.6	76%	0.755	72%	0.715	S	S	*	*			trans	73.2	147.9	130.8	72.1	0	0	0	0	117.8
1547	S	37.7	Very low	37.5	Very low	94.8 Å²	94.8	123.2 Å²	123.2	66%	0.663	70%	0.704	S	S	*	*			cis	-162.7	157.2	19	46	0	0	0	0	113.6
1548	I	39	Very low	37.7	Very low	141.4 Å²	141.4	128.3 Å²	128.3	73%	0.725	70%	0.698	S	S	*	*			trans	71.7	125.1	130.7	-69.1	166	0	0	0	117
1549	N	37.4	Very low	37.8	Very low	133.2 Å²	133.2	134.4 Å²	134.4	71%	0.712	70%	0.698	S	S	*	*			cis	158.7	150.9	37.2	-95.2	-6.2	0	0	0	116.8
1550	T	36.6	Very low	38	Very low	127.2 Å²	127.2	134.3 Å²	134.3	78%	0.78	70%	0.697	S	S	*	*				92.5	166.5	95.5	25.7	0	0	0	0	118.9
1551	A	37.1	Very low	38.2	Very low	75.2 Å²	75.2	129.8 Å²	129.8	62%	0.621	70%	0.695	S	S	*	*			trans	-160.9	150.8	140.3	0	0	0	0	0	116.3	H1859	A1551-H1859 PolarHBondContact O-ND1 2.91Å
1552	T	43.3	Very low	38.3	Very low	108 Å²	108	128.1 Å²	128.1	66%	0.663	69%	0.693	S	S	*	*				111.8	157.2	109.4	64.2	0	0	0	0	118.5	H1859 R1860	T1552-H1859 CarbonylContact O-C 3.21Å; T1552-H1859 WeakPolarHBondContact O-CA 3.33Å; T1552-H1859 WeakPolarHBondContact O-CB 3.49Å; T1552-H1859 PolarHBondContact O-ND1 3.28Å; T1552-H1859 PolarHBondContact OG1-CE1 2.85Å; T1552-H1859 PolarHBondContact OG1-ND1 3.08Å; T1552-R1860 VanDerWaalsContact C-CB 3.5Å; T1552-R1860 WeakPolarHBondContact O-CA 3.39Å; T1552-R1860 VanDerWaalsContact O-CB 3.26Å; T1552-R1860 WeakPolarHBondContact O-CB 3.14Å; T1552-R1860 WeakPolarHBondContact O-CG 3.39Å; T1552-R1860 PolarHBondContact O-N 3.44Å
1553	N	37.8	Very low	38.5	Very low	98 Å²	98	127.4 Å²	127.4	52%	0.524	69%	0.694	S	S	.	*			trans	83.7	120.4	141.7	-78.1	-53	0	0	0	119.9	H1859 R1860	N1553-H1859 VanDerWaalsContact CB-CD2 3.47Å; N1553-H1859 WeakPolarHBondContact CB-CD2 3.35Å; N1553-H1859 WeakPolarHBondContact CB-NE2 3.5Å; N1553-H1859 PolarHBondContact N-CD2 2.92Å; N1553-H1859 PolarHBondContact N-ND1 3.4Å; N1553-H1859 PolarHBondContact N-NE2 2.92Å; N1553-H1859 PolarHBondContact ND2-NE2 3.13Å; N1553-H1859 VanDerWaalsContact ND2-NE2 3.16Å; N1553-R1860 VanDerWaalsContact CA-CD 3.42Å; N1553-R1860 VanDerWaalsContact CA-NH1 3.31Å; N1553-R1860 WeakPolarHBondContact O-CB 3.33Å; N1553-R1860 VanDerWaalsContact OD1-CZ 3.31Å; N1553-R1860 PolarHBondContact OD1-NH1 2.92Å; N1553-R1860 PolarHBondContact OD1-NH2 2.04Å
1554	R	39.9	Very low	38.8	Very low	189.8 Å²	189.8	130.7 Å²	130.7	72%	0.716	70%	0.703	S	S	*	*				91.9	125	104.5	-80.7	176.9	-153.2	174	-1.8	117.5
1555	R	39.6	Very low	39	Very low	195.8 Å²	195.8	129.4 Å²	129.4	74%	0.739	70%	0.696	S	S	*	*			cis	156.9	154.7	42.4	-101.6	174.7	174.1	166.1	-0.8	115.5
1556	H	42.5	Very low	39.4	Very low	138.8 Å²	138.8	132.5 Å²	132.5	64%	0.643	70%	0.7	S	S	*	*			trans	61.4	141.6	152.9	-59.9	-51.5	0	0	0	119.2
1557	H	41.4	Very low	39.6	Very low	129.4 Å²	129.4	136 Å²	136	60%	0.599	70%	0.701	S	S	*	*			cis	-175.8	138.5	12.2	-114.5	-17.4	0	0	0	114
1558	R	40.7	Very low	39.8	Very low	188.8 Å²	188.8	139.6 Å²	139.6	71%	0.712	71%	0.705	S	S	*	*			trans	59.7	148.2	135.4	-70.7	174.1	173.2	171.8	-1	118.4
1559	R	39.7	Very low	40.1	Very low	204.4 Å²	204.4	140.2 Å²	140.2	77%	0.771	71%	0.705	S	S	*	*			cis	-177.9	143	5.4	-114.1	171.3	178.6	172.8	-3.6	112.2
1560	S	36.8	Very low	40.3	Very low	102.2 Å²	102.2	140.6 Å²	140.6	72%	0.715	70%	0.702	S	S	*	*			trans	57.7	150.8	135.1	-60.2	0	0	0	0	121.1
1561	S	37.6	Very low	40.7	Very low	103.8 Å²	103.8	142.6 Å²	142.6	73%	0.726	70%	0.702	S	S	*	*			cis	151.4	143.9	9.5	-80.2	0	0	0	0	111.9
1562	S	38.1	Very low	40.8	Very low	102.2 Å²	102.2	145.7 Å²	145.7	72%	0.715	70%	0.703	S	S	*	*				97.9	115	67.3	66	0	0	0	0	115.2
1563	S	39.8	Very low	40.5	Very low	103.6 Å²	103.6	149.4 Å²	149.4	72%	0.724	71%	0.705	S	S	*	*				157.1	139.9	114.9	59.1	0	0	0	0	112.4	N1565	S1563-N1565 PolarHBondContact O-ND2 3.3Å; S1563-N1565 PolarHBondContact OG-ND2 2.81Å
1564	I	41.7	Very low	40.6	Very low	152.8 Å²	152.8	151.9 Å²	151.9	78%	0.784	71%	0.713	S	S	*	*				109.4	128.3	118.2	-64.5	168	0	0	0	112
1565	N	40.3	Very low	40.4	Very low	123.6 Å²	123.6	153.8 Å²	153.8	66%	0.661	72%	0.72	S	S	*	*			trans	159.6	156.2	152.9	-97.5	-30.4	0	0	0	115.9	S1563	S1563-N1565 PolarHBondContact O-ND2 3.3Å; S1563-N1565 PolarHBondContact OG-ND2 2.81Å
1566	H	44	Very low	40.2	Very low	160.6 Å²	160.6	149.7 Å²	149.7	74%	0.744	72%	0.722	S	S	*	*			trans	82.8	152.2	156.9	-58.8	-48.9	0	0	0	116.3
1567	K	40.6	Very low	40.2	Very low	182.2 Å²	182.2	148.7 Å²	148.7	79%	0.792	73%	0.728	S	S	*	*			cis	-159.3	147.6	16.9	-129.2	160	-174.7	174.4	0	109.7
1568	K	41.9	Very low	40	Very low	170.2 Å²	170.2	147.9 Å²	147.9	74%	0.74	74%	0.737	S	S	*	*			trans	11.3	137.7	143.3	-66.6	-178.2	175.9	-176	0	117.9
1569	H	45.5	Very low	39.8	Very low	155.4 Å²	155.4	143.9 Å²	143.9	72%	0.719	74%	0.738	S	S	*	*				-179.9	147.1	96.3	-88.8	-72.7	0	0	0	115.7
1570	H	41.8	Very low	39.8	Very low	141.2 Å²	141.2	139.6 Å²	139.6	65%	0.654	74%	0.739	S	S	*	*			trans	16	138.3	154.3	-65.6	-69.2	0	0	0	119.2
1571	H	45.5	Very low	39.8	Very low	168.4 Å²	168.4	146.1 Å²	146.1	78%	0.78	75%	0.748	S	S	*	*				158	154.8	86.2	-79.7	-59.1	0	0	0	112.2
1572	H	38.6	Very low	39.9	Very low	141 Å²	141	145.2 Å²	145.2	65%	0.653	75%	0.747	S	S	*	*			cis	122.7	136.5	21.7	-144.4	45.1	0	0	0	112.5
1573	R	36.1	Very low	40.1	Very low	185.4 Å²	185.4	147.3 Å²	147.3	70%	0.7	76%	0.755	S	S	*	*			trans	115.2	142.6	167.6	-81.1	179.3	179.7	-175.1	-0.2	115.6
1574	H	39.6	Very low	40	Very low	150.6 Å²	150.6	146 Å²	146	70%	0.697	76%	0.758	S	S	*	*				123.8	147.1	98.8	-74.4	-59.8	0	0	0	117.3
1575	R	36	Very low	39.7	Very low	228.8 Å²	228.8	143.6 Å²	143.6	86%	0.863	76%	0.755	S	S	*	*				68.8	126.8	114.4	-86.3	177.1	174.1	173.8	-3.2	116.8
1576	S	36.2	Very low	39.7	Very low	110.2 Å²	110.2	145 Å²	145	77%	0.771	76%	0.757	S	S	*	*				-61.5	162.2	125.2	-52.4	0	0	0	0	116
1577	P	42.2	Very low	39.3	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	76%	0.756	S	S	*	*			trans	-115.4	-171.7	176.9	34.6	-21.9	0	0	0	112.1
1578	S	37	Very low	39.1	Very low	112 Å²	112	145.3 Å²	145.3	78%	0.783	75%	0.754	S	S	*	*			trans	97	139.7	153.9	71.7	0	0	0	0	117.2
1579	S	37.6	Very low	38.8	Very low	106.2 Å²	106.2	142.3 Å²	142.3	74%	0.743	75%	0.753	S	S	*	*			trans	157.2	134.3	153.7	61.9	0	0	0	0	116.7
1580	S	39	Very low	38.3	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	75%	0.753	S	S	*	*			trans	86.9	149.8	155.6	75	0	0	0	0	117.9
1581	R	37.7	Very low	38.1	Very low	238.4 Å²	238.4	143.7 Å²	143.7	90%	0.9	75%	0.752	S	S	*	*				122.1	131.6	50.4	-146.3	173.3	169.7	163.6	-4.7	115.3
1582	A	39.2	Very low	37.7	Very low	85.2 Å²	85.2	143 Å²	143	70%	0.704	75%	0.747	S	S	*	*			trans	72.2	115.6	149.6	0	0	0	0	0	115.9
1583	T	40.9	Very low	37.7	Very low	145.6 Å²	145.6	143.5 Å²	143.5	89%	0.893	75%	0.75	S	S	*	*				93.5	138.8	69.1	55.7	0	0	0	0	114
1584	G	38.1	Very low	37.7	Very low	76.4 Å²	76.4	139.2 Å²	139.2	79%	0.788	75%	0.748	S	S	*	*			trans	162.7	128.8	165.1	0	0	0	0	0	114.1
1585	S	36.9	Very low	37.5	Very low	103.4 Å²	103.4	141.6 Å²	141.6	72%	0.723	76%	0.756	S	S	*	*			trans	-179.6	166.7	168.9	-159.7	0	0	0	0	116.7
1586	H	39.1	Very low	37.6	Very low	152 Å²	152	135.5 Å²	135.5	70%	0.704	75%	0.748	S	S	*	*			trans	73.6	124.1	169	-57.1	-69.2	0	0	0	118.2
1587	H	36.7	Very low	37.6	Very low	152.6 Å²	152.6	134.8 Å²	134.8	71%	0.706	74%	0.744	S	S	*	*				109.9	126.8	93.8	-82.9	-34.2	0	0	0	118.2
1588	R	35.1	Very low	37.4	Very low	198 Å²	198	138.5 Å²	138.5	75%	0.747	74%	0.742	S	S	*	*				67.9	122	118.7	-80.7	173.9	169.6	-173.1	-2.5	118.6
1589	S	35.3	Very low	37.5	Very low	105.6 Å²	105.6	139.1 Å²	139.1	74%	0.738	73%	0.733	S	S	*	*				105.7	133.2	122.8	-157	0	0	0	0	114.8
1590	R	35.1	Very low	37.5	Very low	188.8 Å²	188.8	140.3 Å²	140.3	71%	0.712	73%	0.726	S	S	*	*			trans	164.2	138.7	131.6	-103	174.4	175.8	-164.2	0.7	113.6
1591	H	38.3	Very low	37.4	Very low	137.6 Å²	137.6	141.7 Å²	141.7	64%	0.637	72%	0.72	S	S	*	*			trans	141.9	153.8	147.2	-93.9	-40.3	0	0	0	114.1	H1593	H1591-H1593 AromaticContact CE1-CD2 3.43Å; H1591-H1593 PolarHBondContact CE1-CD2 3.31Å; H1591-H1593 VanDerWaalsContact CE1-CD2 3.43Å; H1591-H1593 AromaticContact CE1-NE2 3.58Å; H1591-H1593 AromaticContact ND1-CD2 3.82Å; H1591-H1593 AromaticContact NE2-CD2 3.65Å; H1591-H1593 AromaticContact NE2-NE2 3.59Å
1592	K	36.7	Very low	37.4	Very low	154.6 Å²	154.6	137.4 Å²	137.4	67%	0.672	71%	0.71	S	S	*	*			cis	155.4	158.1	14.2	-86	-179.8	-179.9	176.5	0	114.3
1593	H	38.1	Very low	37.3	Very low	152 Å²	152	138.8 Å²	138.8	70%	0.704	71%	0.71	S	S	*	*				84.5	138.4	121.1	-68.7	-62	0	0	0	117.8	H1591	H1591-H1593 AromaticContact CE1-CD2 3.43Å; H1591-H1593 PolarHBondContact CE1-CD2 3.31Å; H1591-H1593 VanDerWaalsContact CE1-CD2 3.43Å; H1591-H1593 AromaticContact CE1-NE2 3.58Å; H1591-H1593 AromaticContact ND1-CD2 3.82Å; H1591-H1593 AromaticContact NE2-CD2 3.65Å; H1591-H1593 AromaticContact NE2-NE2 3.59Å
1594	S	36	Very low	37.1	Very low	94.8 Å²	94.8	136.5 Å²	136.5	66%	0.663	70%	0.699	S	S	*	*				-173.8	148.8	73.6	-109	0	0	0	0	113.3
1595	K	37.3	Very low	37	Very low	201.2 Å²	201.2	138.6 Å²	138.6	88%	0.875	70%	0.697	S	S	*	*			trans	84.4	149.9	156.7	-70.8	171.6	-176.7	179.8	0	115.4
1596	S	36.2	Very low	37.1	Very low	99.8 Å²	99.8	140.6 Å²	140.6	70%	0.698	70%	0.7	S	S	*	*			cis	-176.3	153.3	39.8	-159.5	0	0	0	0	112
1597	S	37.6	Very low	37	Very low	96.2 Å²	96.2	138.3 Å²	138.3	67%	0.673	70%	0.696	S	S	*	*			trans	177.7	148.3	161.1	-154.2	0	0	0	0	112.7
1598	R	37.5	Very low	37.2	Very low	195.8 Å²	195.8	138.1 Å²	138.1	74%	0.739	70%	0.698	S	S	*	*			trans	178.5	152.5	173.9	-92.4	175.8	-177.7	-173.6	1.7	114.8	H1600	R1598-H1600 PolarHBondContact NE-CD2 2.9Å; R1598-H1600 PolarHBondContact NH2-CD2 3.44Å; R1598-H1600 PolarHBondContact NH2-NE2 3.5Å
1599	H	38.4	Very low	37.5	Very low	124.8 Å²	124.8	134 Å²	134	58%	0.578	69%	0.691	S	S	*	*				-150.6	149.7	110.1	-87.9	-55.2	0	0	0	113.3
1600	H	37.6	Very low	37.8	Very low	130.8 Å²	130.8	134.5 Å²	134.5	61%	0.606	69%	0.685	S	S	*	*				57	142.1	128.4	-58.6	-53	0	0	0	114.4	R1598	R1598-H1600 PolarHBondContact NE-CD2 2.9Å; R1598-H1600 PolarHBondContact NH2-CD2 3.44Å; R1598-H1600 PolarHBondContact NH2-NE2 3.5Å
1601	H	36.6	Very low	38.2	Very low	142 Å²	142	131.9 Å²	131.9	66%	0.657	69%	0.685	S	S	*	*			cis	162.9	158.6	14.4	-87.8	-59.5	0	0	0	111.1
1602	H	39.4	Very low	38.3	Very low	149 Å²	149	132.7 Å²	132.7	69%	0.69	69%	0.694	S	S	*	*				123.3	139.4	99.4	-78.1	-69.8	0	0	0	114
1603	T	36.6	Very low	38.4	Very low	114.6 Å²	114.6	129.7 Å²	129.7	70%	0.703	70%	0.698	S	S	*	*			cis	115.4	147.2	38.9	37.1	0	0	0	0	111.8
1604	S	36.4	Very low	38.4	Very low	96.4 Å²	96.4	125.6 Å²	125.6	67%	0.674	70%	0.697	S	S	*	*				168.8	148.8	69.9	51.9	0	0	0	0	114.7
1605	T	37	Very low	38.5	Very low	120.6 Å²	120.6	128.3 Å²	128.3	74%	0.74	70%	0.703	S	S	*	*			trans	19.1	136.1	136.4	40.4	0	0	0	0	113.6
1606	N	37.9	Very low	38.7	Very low	145 Å²	145	126 Å²	126	78%	0.775	70%	0.697	S	S	*	*				157.3	143.8	110.4	-81	-9.1	0	0	0	109.7
1607	T	37.4	Very low	38.7	Very low	103.8 Å²	103.8	127.6 Å²	127.6	64%	0.637	69%	0.691	S	S	*	*			cis	-138.3	143.5	35.3	34.8	0	0	0	0	111.3	G1129	G1129-T1607 CarbonylContact O-C 3.34Å; G1129-T1607 WeakPolarHBondContact O-CA 2.92Å; G1129-T1607 WeakPolarHBondContact O-CB 3.35Å; G1129-T1607 WeakPolarHBondContact O-CG2 3.19Å
1608	M	41.5	Very low	38.7	Very low	148.8 Å²	148.8	132.9 Å²	132.9	73%	0.733	70%	0.696	S	S	*	*				81.6	126.1	127.9	-58	-85.5	172	0	0	115.4	Q1127 N1128 G1129	Q1127-M1608 WeakPolarHBondContact O-CE 3.48Å; N1128-M1608 HydrophobicContact CB-CB 3.4Å; N1128-M1608 VanDerWaalsContact CB-CB 3.4Å; N1128-M1608 HydrophobicContact CB-CG 3.44Å; N1128-M1608 VanDerWaalsContact CB-CG 3.44Å; N1128-M1608 HydrophobicContact CB-SD 3.69Å; N1128-M1608 PolarHBondContact ND2-O 3.28Å; G1129-M1608 WeakPolarHBondContact O-CA 3.35Å; G1129-M1608 PolarHBondContact O-N 2.95Å
1609	D	39.6	Very low	38.7	Very low	112.2 Å²	112.2	129.2 Å²	129.2	60%	0.6	69%	0.691	S	S	*	*			cis	152.7	157.7	36.7	-106.2	-4.2	0	0	0	114.6	N1128 G1129 D1130	N1128-D1609 VanDerWaalsContact CA-CB 3.43Å; N1128-D1609 HydrophobicContact CB-CB 3.35Å; N1128-D1609 WeakPolarHBondContact ND2-CB 3.11Å; G1129-D1609 PolarHBondContact N-OD1 3Å; D1130-D1609 WeakPolarHBondContact OD1-CA 3.11Å
1610	N	42.2	Very low	38.7	Very low	116.4 Å²	116.4	129.5 Å²	129.5	62%	0.622	70%	0.697	S	S	*	*			trans	82.2	143.2	160.8	-72.4	-52.4	0	0	0	117.5	N1128	N1128-N1610 PolarHBondContact OD1-ND2 3.14Å
1611	N	43.1	Very low	38.7	Very low	133 Å²	133	127.5 Å²	127.5	71%	0.711	70%	0.698	S	S	*	*				93.7	145.5	72.3	-71.8	-25.1	0	0	0	113.7
1612	D	40.4	Very low	38.9	Very low	155.6 Å²	155.6	129.6 Å²	129.6	83%	0.832	71%	0.706	S	S	*	*				164.2	158.6	82.2	-103.5	-23.9	0	0	0	114.1
1613	A	39.7	Very low	38.7	Very low	91 Å²	91	126.8 Å²	126.8	75%	0.752	70%	0.703	S	S	*	*				-133.4	130.5	59.3	0	0	0	0	0	112.2	I1615	A1613-I1615 PolarHBondContact O-N 3.04Å
1614	G	37.7	Very low	38.8	Very low	66.8 Å²	66.8	128.1 Å²	128.1	69%	0.689	71%	0.705	S	S	*	*			trans	156.7	127.6	157.9	0	0	0	0	0	113.9	M1616 F1731	G1614-M1616 PolarHBondContact O-N 3.16Å; G1614-F1731 WeakPolarHBondContact O-CZ 2.98Å
1615	I	39.2	Very low	38.7	Very low	151.2 Å²	151.2	128.5 Å²	128.5	78%	0.775	71%	0.707	S	S	*	*			trans	-88.9	115	174.2	-69.8	166.8	0	0	0	111.3	A1613 K1617 D1733	A1613-I1615 PolarHBondContact O-N 3.04Å; I1615-K1617 PolarHBondContact O-N 2.93Å; I1615-D1733 VanDerWaalsContact O-CB 3.23Å; I1615-D1733 WeakPolarHBondContact O-CB 3.02Å
1616	M	39.9	Very low	38.7	Very low	152.4 Å²	152.4	127.8 Å²	127.8	75%	0.751	71%	0.707	S	S	*	*			trans	59.1	136	132.2	-115	170.6	103.2	0	0	115.5	G1614 D1733	G1614-M1616 PolarHBondContact O-N 3.16Å; M1616-D1733 WeakPolarHBondContact CA-OD2 2.26Å
1617	K	36.2	Very low	38.7	Very low	132.2 Å²	132.2	126.2 Å²	126.2	58%	0.575	71%	0.706	S	S	*	*			trans	-145.3	142.2	164.7	-98.8	178.5	-175.4	174.7	0	112.9	I1615 S1708 S1709 D1733 L1734	I1615-K1617 PolarHBondContact O-N 2.93Å; K1617-S1708 PolarHBondContact NZ-O 2.68Å; K1617-S1709 PolarHBondContact NZ-OG 2.95Å; K1617-D1733 PolarHBondContact N-OD2 3.36Å; K1617-L1734 HydrophobicContact CD-CD1 3.6Å; K1617-L1734 HydrophobicContact CD-CD2 3.95Å; K1617-L1734 HydrophobicContact CD-CG 4.26Å; K1617-L1734 HydrophobicContact CG-CD1 3.9Å
1618	R	39.4	Very low	38.7	Very low	207.6 Å²	207.6	129.5 Å²	129.5	78%	0.783	71%	0.714	S	S	*	*				158.1	140.2	123.3	-76.7	176.4	-165.5	148.3	-0.1	113.9	D1620	R1618-D1620 PolarHBondContact O-N 2.94Å; R1618-D1620 VanDerWaalsContact O-N 3.16Å
1619	N	36.9	Very low	38.4	Very low	118 Å²	118	129.7 Å²	129.7	63%	0.631	72%	0.717	S	S	*	*				158.6	152.8	93.5	-85.4	23.9	0	0	0	112.2	S1621	N1619-S1621 PolarHBondContact O-N 3.38Å
1620	D	37.6	Very low	38.2	Very low	132.2 Å²	132.2	131.1 Å²	131.1	71%	0.707	72%	0.72	S	S	*	*				-155	134.8	117.6	-77	-46.8	0	0	0	115.3	R1618 F1622	R1618-D1620 PolarHBondContact O-N 2.94Å; R1618-D1620 VanDerWaalsContact O-N 3.16Å; D1620-F1622 PolarHBondContact O-N 3.49Å
1621	S	38.2	Very low	38.2	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	73%	0.726	S	S	*	*			trans	-149.9	139.2	-158.3	-77.1	0	0	0	0	112.5	N1619	N1619-S1621 PolarHBondContact O-N 3.38Å
1622	F	39.5	Very low	38	Very low	186.6 Å²	186.6	132.7 Å²	132.7	82%	0.818	72%	0.723	S	S	*	*			trans	-151.9	159.1	149.7	-67.6	-76.9	0	0	0	113.8	D1620 D1624	D1620-F1622 PolarHBondContact O-N 3.49Å; F1622-D1624 PolarHBondContact O-N 3.11Å
1623	S	37.1	Very low	38	Very low	90.2 Å²	90.2	132 Å²	132	63%	0.631	72%	0.715	S	S	*	*				-160.7	140.4	-53.9	67.8	0	0	0	0	113	C1625 S1700 S1701	S1623-C1625 VanDerWaalsContact C-N 3.29Å; S1623-C1625 PolarHBondContact O-N 3.36Å; S1623-C1625 VanDerWaalsContact O-N 3.1Å; S1623-S1700 CarbonylContact O-C 2.99Å; S1623-S1700 VanDerWaalsContact O-C 3.25Å; S1623-S1700 WeakPolarHBondContact O-CA 3.36Å; S1623-S1700 PolarHBondContact O-N 2.93Å; S1623-S1700 VanDerWaalsContact O-N 3.14Å; S1623-S1701 CarbonylContact C-O 3.2Å; S1623-S1701 VanDerWaalsContact CA-O 3.25Å; S1623-S1701 WeakPolarHBondContact CA-O 3.27Å; S1623-S1701 PolarHBondContact N-O 3.18Å; S1623-S1701 PolarHBondContact O-N 3.45Å
1624	D	37	Very low	38.1	Very low	141 Å²	141	135.4 Å²	135.4	75%	0.754	71%	0.713	S	S	*	*			trans	125.8	146.8	145.7	-102.6	-10.8	0	0	0	117.1	F1622 S1626 S1700 S1701 H1702	F1622-D1624 PolarHBondContact O-N 3.11Å; D1624-S1626 VanDerWaalsContact C-N 3.28Å; D1624-S1626 PolarHBondContact O-N 3.12Å; D1624-S1700 PolarHBondContact OD2-OG 3.45Å; D1624-S1701 CarbonylContact O-C 3.49Å; D1624-S1701 VanDerWaalsContact O-CA 3.27Å; D1624-S1701 WeakPolarHBondContact O-CA 3.08Å; D1624-S1701 PolarHBondContact O-N 3.35Å; D1624-H1702 PolarHBondContact O-N 3.42Å
1625	C	35.6	Very low	38.2	Very low	105.6 Å²	105.6	140.6 Å²	140.6	71%	0.714	72%	0.716	S	S	*	*			trans	-96.3	131.3	174.7	-81.1	0	0	0	0	115.3	S1623 C1627 S1700 H1702	S1623-C1625 VanDerWaalsContact C-N 3.29Å; S1623-C1625 PolarHBondContact O-N 3.36Å; S1623-C1625 VanDerWaalsContact O-N 3.1Å; C1625-C1627 PolarHBondContact O-N 3.37Å; C1625-C1627 VanDerWaalsContact O-N 3.11Å; C1625-S1700 WeakPolarHBondContact CA-OG 3.25Å; C1625-S1700 VanDerWaalsContact CB-CB 3.48Å; C1625-S1700 WeakPolarHBondContact CB-OG 3.24Å; C1625-S1700 PolarHBondContact N-OG 3.03Å; C1625-S1700 PolarHBondContact SG-OG 3.49Å; C1625-H1702 PolarHBondContact O-CD2 3.27Å; C1625-H1702 VanDerWaalsContact O-CD2 3.3Å
1626	S	37	Very low	38.4	Very low	106.2 Å²	106.2	140.5 Å²	140.5	74%	0.743	72%	0.716	S	S	*	*				133.4	132.3	114.2	-108.3	0	0	0	0	115	D1624 H1628 H1702	D1624-S1626 VanDerWaalsContact C-N 3.28Å; D1624-S1626 PolarHBondContact O-N 3.12Å; S1626-H1628 PolarHBondContact O-N 2.68Å; S1626-H1702 PolarHBondContact N-NE2 3.3Å
1627	C	37.3	Very low	38.3	Very low	111 Å²	111	143.8 Å²	143.8	75%	0.75	72%	0.72	S	S	*	*			trans	-103.5	125.8	164.3	15.3	0	0	0	0	114.4	C1625 L1629	C1625-C1627 PolarHBondContact O-N 3.37Å; C1625-C1627 VanDerWaalsContact O-N 3.11Å; C1627-L1629 PolarHBondContact O-N 3.43Å
1628	H	36.6	Very low	38.4	Very low	172.6 Å²	172.6	146 Å²	146	80%	0.799	73%	0.73	S	S	*	*			trans	-103.6	142.5	130.6	-110.2	-61.2	0	0	0	114.8	S1626	S1626-H1628 PolarHBondContact O-N 2.68Å
1629	L	36	Very low	38.4	Very low	152.6 Å²	152.6	143 Å²	143	80%	0.799	73%	0.725	S	S	*	*			trans	-140	159.8	172.8	-92.8	169.7	0	0	0	111.5	C1627	C1627-L1629 PolarHBondContact O-N 3.43Å
1630	H	35.7	Very low	38.5	Very low	141.8 Å²	141.8	144.9 Å²	144.9	66%	0.656	73%	0.729	S	S	*	*			trans	-164.2	130.5	-178.3	-161	-91.2	0	0	0	112	N1632	H1630-N1632 PolarHBondContact CE1-ND2 3.29Å; H1630-N1632 PolarHBondContact CE1-OD1 3.43Å; H1630-N1632 VanDerWaalsContact CE1-OD1 3.32Å; H1630-N1632 PolarHBondContact ND1-ND2 2.58Å; H1630-N1632 PolarHBondContact NE2-ND2 3.47Å
1631	E	41	Very low	38.5	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	73%	0.732	S	S	*	*			trans	-77.8	129.5	156	-84.4	-173.7	145.8	0	0	115	E1633	E1631-E1633 PolarHBondContact O-N 3.08Å
1632	N	39.1	Very low	38.5	Very low	120.8 Å²	120.8	152.3 Å²	152.3	65%	0.646	75%	0.745	S	S	*	*			trans	-128.7	133.9	132.2	-91.6	-48.1	0	0	0	114.9	H1630 K1634	H1630-N1632 PolarHBondContact CE1-ND2 3.29Å; H1630-N1632 PolarHBondContact CE1-OD1 3.43Å; H1630-N1632 VanDerWaalsContact CE1-OD1 3.32Å; H1630-N1632 PolarHBondContact ND1-ND2 2.58Å; H1630-N1632 PolarHBondContact NE2-ND2 3.47Å; N1632-K1634 PolarHBondContact O-N 3.45Å
1633	E	40.7	Very low	38.3	Very low	141.2 Å²	141.2	148.3 Å²	148.3	66%	0.66	74%	0.739	S	S	*	*			trans	43.5	125.4	147.1	-80.9	-150	147.9	0	0	119.8	E1631 K1635	E1631-E1633 PolarHBondContact O-N 3.08Å; E1633-K1635 IonicContact OE2-NZ 3.64Å; E1633-K1635 PolarHBondContact OE2-NZ 2.91Å
1634	K	42.1	Very low	38.4	Very low	162.2 Å²	162.2	154.6 Å²	154.6	71%	0.705	75%	0.749	S	S	*	*			trans	111	130.6	134.3	-72.4	166.7	-170.3	148.2	0	116	N1632	N1632-K1634 PolarHBondContact O-N 3.45Å
1635	K	41	Very low	38.3	Very low	175.6 Å²	175.6	158.5 Å²	158.5	76%	0.763	75%	0.754	S	S	*	*				107	131.5	70.2	-89.3	168.6	-175.8	167.2	0	115.5	E1633	E1633-K1635 IonicContact OE2-NZ 3.64Å; E1633-K1635 PolarHBondContact OE2-NZ 2.91Å
1636	L	41.5	Very low	38.5	Very low	149 Å²	149	160.8 Å²	160.8	78%	0.78	76%	0.758	S	S	*	*				106.5	134.5	123.6	-116.9	79.6	0	0	0	118.7
1637	R	38.6	Very low	38.4	Very low	221.6 Å²	221.6	159.9 Å²	159.9	84%	0.836	75%	0.752	S	S	*	*			trans	-60	148.4	148.8	-65.8	171.1	176.5	-175.1	-2.3	115.8
1638	K	39.1	Very low	38.6	Very low	178.8 Å²	178.8	164.8 Å²	164.8	78%	0.777	76%	0.755	S	S	*	*				138.8	147.9	120	-100.3	179.2	173.1	-169.9	0	114.4
1639	H	38.4	Very low	38.7	Very low	145.8 Å²	145.8	164.4 Å²	164.4	68%	0.675	75%	0.753	S	S	*	*				120.9	133.8	94.7	-97.2	-85.1	0	0	0	116.4
1640	H	39.6	Very low	38.8	Very low	156.6 Å²	156.6	160.1 Å²	160.1	73%	0.725	75%	0.746	S	S	*	*			trans	55.3	135.2	146.9	-73.6	-69.5	0	0	0	119.9
1641	N	37.9	Very low	39.1	Very low	140.4 Å²	140.4	160.3 Å²	160.3	75%	0.751	75%	0.751	S	S	*	*				155.1	135.2	85.1	-87.4	-20.5	0	0	0	114.8	S1643	N1641-S1643 PolarHBondContact O-N 3.16Å
1642	R	37.2	Very low	39	Very low	237.4 Å²	237.4	158.9 Å²	158.9	90%	0.896	75%	0.749	S	S	*	*			trans	-150.8	113.3	142.2	-118.5	176.2	177.6	-173.7	0.5	111.4	R1644	R1642-R1644 PolarHBondContact O-N 2.96Å
1643	S	36.5	Very low	38.9	Very low	101.6 Å²	101.6	158.6 Å²	158.6	71%	0.71	75%	0.752	S	S	*	*			trans	-152.2	125.1	157.4	-118.5	0	0	0	0	113.8	N1641	N1641-S1643 PolarHBondContact O-N 3.16Å
1644	R	37.7	Very low	38.8	Very low	222.4 Å²	222.4	157.7 Å²	157.7	84%	0.839	76%	0.756	S	S	*	*			trans	107.1	121.8	137.5	-74.1	173	-163.6	-159.8	2.8	114	R1642 L1646	R1642-R1644 PolarHBondContact O-N 2.96Å; R1644-L1646 PolarHBondContact O-N 3.38Å
1645	R	35.4	Very low	38.6	Very low	223.4 Å²	223.4	155.8 Å²	155.8	84%	0.843	76%	0.758	S	S	*	*				90.7	124.5	103.6	-95.8	-173.3	169.9	-177	-3.1	113.9
1646	L	39.3	Very low	38.3	Very low	153.2 Å²	153.2	152.4 Å²	152.4	80%	0.802	76%	0.756	S	S	*	*			trans	69.1	155.1	141.6	-66	157.2	0	0	0	114.1	R1644	R1644-L1646 PolarHBondContact O-N 3.38Å
1647	S	36.6	Very low	38	Very low	87.6 Å²	87.6	156.5 Å²	156.5	61%	0.613	76%	0.761	S	S	*	*			cis	171.3	154.7	-17.9	-173.6	0	0	0	0	110.4
1648	R	40.7	Very low	37.8	Very low	215 Å²	215	150.4 Å²	150.4	81%	0.811	75%	0.753	S	S	*	*			trans	79.2	145.6	151.3	-79.6	163.7	176.9	-136.5	-1.8	116.3
1649	Q	39.5	Very low	37.7	Very low	163.4 Å²	163.4	149.2 Å²	149.2	76%	0.764	76%	0.755	S	S	*	*				-166.3	136.2	92.6	-139	164.4	-36.6	0	0	114	N1652 T1653	Q1649-N1652 WeakPolarHBondContact CG-O 3.48Å; Q1649-N1652 PolarHBondContact NE2-O 3.26Å; Q1649-T1653 WeakPolarHBondContact CG-O 3.43Å; Q1649-T1653 PolarHBondContact NE2-O 3.22Å
1650	G	37.8	Very low	37.7	Very low	62.6 Å²	62.6	147.3 Å²	147.3	65%	0.645	76%	0.758	S	S	*	*			trans	134.2	133.6	175	0	0	0	0	0	111.6
1651	N	42.3	Very low	37.7	Very low	145.8 Å²	145.8	146 Å²	146	78%	0.78	76%	0.761	S	S	*	*			cis	165.4	145.8	10.1	-87	28.9	0	0	0	112.5
1652	N	38.3	Very low	37.7	Very low	132.8 Å²	132.8	145.4 Å²	145.4	71%	0.71	76%	0.758	S	S	*	*				89.7	144.3	113.5	-68.4	-2.7	0	0	0	117.9	Q1649	Q1649-N1652 WeakPolarHBondContact CG-O 3.48Å; Q1649-N1652 PolarHBondContact NE2-O 3.26Å
1653	T	37.1	Very low	37.6	Very low	114.2 Å²	114.2	141.3 Å²	141.3	70%	0.701	75%	0.753	S	S	*	*			trans	71.7	131.6	143.5	11.1	0	0	0	0	116.2	Q1649 T1655	Q1649-T1653 WeakPolarHBondContact CG-O 3.43Å; Q1649-T1653 PolarHBondContact NE2-O 3.22Å; T1653-T1655 HydrophobicContact CG2-CG2 4.03Å; T1653-T1655 PolarHBondContact O-N 3.29Å
1654	V	38	Very low	37.6	Very low	123.2 Å²	123.2	140.1 Å²	140.1	75%	0.747	76%	0.757	S	S	*	*				-118.5	139.6	100.3	-163.4	0	0	0	0	114.8
1655	T	37	Very low	37.4	Very low	120.6 Å²	120.6	135.1 Å²	135.1	74%	0.74	76%	0.756	S	S	*	*			trans	89.7	131.8	162.7	47.1	0	0	0	0	118.5	T1653	T1653-T1655 HydrophobicContact CG2-CG2 4.03Å; T1653-T1655 PolarHBondContact O-N 3.29Å
1656	S	34.9	Very low	37.4	Very low	105.4 Å²	105.4	129.6 Å²	129.6	74%	0.737	75%	0.751	S	S	*	*				156.8	135	107.3	-56.5	0	0	0	0	116.1
1657	R	35.7	Very low	37.1	Very low	234.4 Å²	234.4	129.9 Å²	129.9	89%	0.885	75%	0.749	S	S	*	*			trans	96	144	139.9	-80.8	173.9	169.1	174.3	-4.5	118.4
1658	S	35.5	Very low	37	Very low	94.2 Å²	94.2	131.7 Å²	131.7	66%	0.659	75%	0.751	S	S	*	*				104.7	138.1	116.9	40.9	0	0	0	0	117.6
1659	N	37.2	Very low	36.8	Very low	153.6 Å²	153.6	128.2 Å²	128.2	82%	0.821	74%	0.744	S	S	*	*			trans	105.6	153.6	142.2	-72.9	-5.4	0	0	0	116.1
1660	S	37	Very low	36.6	Very low	105.2 Å²	105.2	129 Å²	129	74%	0.736	75%	0.745	S	S	*	*			trans	97.7	138.1	152.6	54.5	0	0	0	0	115.9
1661	V	40.2	Very low	36.5	Very low	129.2 Å²	129.2	130.8 Å²	130.8	78%	0.783	75%	0.746	S	S	*	*				151.2	138.9	110.3	-153.6	0	0	0	0	112.8
1662	N	37.2	Very low	36.2	Very low	128.8 Å²	128.8	128.6 Å²	128.6	69%	0.689	74%	0.742	S	S	*	*			trans	42.1	142.3	157.4	-69.7	28.8	0	0	0	119.6
1663	D	36.3	Very low	36.2	Very low	151.2 Å²	151.2	128.2 Å²	128.2	81%	0.809	75%	0.745	S	S	*	*				78.1	148.1	117.6	-63.3	-38.8	0	0	0	115.9
1664	G	35.8	Very low	36.4	Very low	76 Å²	76	129.7 Å²	129.7	78%	0.784	75%	0.747	S	S	*	*			trans	129.9	106.3	145.5	0	0	0	0	0	115.3
1665	S	33.3	Very low	36.4	Very low	117.4 Å²	117.4	129.8 Å²	129.8	82%	0.821	74%	0.744	S	S	*	*			trans	-53.9	154.2	171	-164.8	0	0	0	0	116.7
1666	S	35.2	Very low	36.3	Very low	106.8 Å²	106.8	130.2 Å²	130.2	75%	0.747	74%	0.742	S	S	*	*			trans	87.2	126.1	156.1	62.7	0	0	0	0	118.3
1667	H	33.2	Very low	36.6	Very low	160.6 Å²	160.6	131.8 Å²	131.8	74%	0.744	74%	0.74	S	S	*	*				94.8	137.7	92.4	-152.3	-124	0	0	0	117.1
1668	L	35.8	Very low	36.7	Very low	125.4 Å²	125.4	128.1 Å²	128.1	66%	0.657	74%	0.738	S	S	*	*			trans	80.4	145.4	149.7	-62.4	166.5	0	0	0	117.1
1669	E	35.5	Very low	36.9	Very low	141.6 Å²	141.6	126.9 Å²	126.9	66%	0.662	74%	0.741	S	S	*	*			cis	150.3	147.4	16.3	-110.9	-174.9	143.9	0	0	115.4
1670	F	35.2	Very low	37	Very low	180.6 Å²	180.6	126 Å²	126	79%	0.792	74%	0.736	S	S	*	*			trans	105.1	136.2	144.8	-94.1	-102	0	0	0	116.4
1671	C	35.7	Very low	37.1	Very low	100 Å²	100	127.5 Å²	127.5	68%	0.676	74%	0.735	S	S	*	*				158.2	131.4	54.7	-94.6	0	0	0	0	115.1
1672	S	36.9	Very low	37	Very low	98.8 Å²	98.8	127.1 Å²	127.1	69%	0.691	73%	0.729	S	S	*	*				112.4	163.5	95.2	-67.4	0	0	0	0	116.7
1673	V	38.2	Very low	37	Very low	125.4 Å²	125.4	131 Å²	131	76%	0.76	73%	0.734	S	S	*	*			trans	126.1	109.1	165.2	178.5	0	0	0	0	113.5
1674	L	39.8	Very low	37	Very low	145 Å²	145	129.2 Å²	129.2	76%	0.759	73%	0.733	S	S	*	*				56.1	145.4	122.1	-59.9	170.6	0	0	0	117
1675	N	37.9	Very low	37.5	Very low	126.6 Å²	126.6	130.9 Å²	130.9	68%	0.677	73%	0.73	S	S	*	*			cis	159.2	145.2	31.8	-101.8	33.4	0	0	0	113.1
1676	D	36.2	Very low	37.5	Very low	129 Å²	129	131 Å²	131	69%	0.69	73%	0.731	S	S	*	*				154.4	157.7	106.7	-100.3	-18.3	0	0	0	116.3
1677	I	40.9	Very low	37.5	Very low	138.2 Å²	138.2	129.2 Å²	129.2	71%	0.709	73%	0.73	S	S	*	*			trans	88.9	125.5	138.1	-67.3	164.2	0	0	0	118.9
1678	N	38.3	Very low	37.6	Very low	156.4 Å²	156.4	127.1 Å²	127.1	84%	0.836	73%	0.733	S	S	*	*			trans	30.7	153.6	150	-55.3	-18.6	0	0	0	122.1
1679	G	38.6	Very low	37.5	Very low	69 Å²	69	126.3 Å²	126.3	71%	0.711	74%	0.738	S	S	*	*			trans	140.8	117.2	166.5	0	0	0	0	0	113.9
1680	N	39.4	Very low	37.5	Very low	134.8 Å²	134.8	124.6 Å²	124.6	72%	0.721	74%	0.741	S	S	*	*				65.5	132.4	126.7	-89.3	62	0	0	0	117.7
1681	D	38.8	Very low	37.5	Very low	136.2 Å²	136.2	123.6 Å²	123.6	73%	0.728	74%	0.743	S	S	*	*			trans	77.8	139.2	130.6	-58.2	-27.9	0	0	0	121.6
1682	D	38.3	Very low	37.4	Very low	122.2 Å²	122.2	123.3 Å²	123.3	65%	0.653	74%	0.742	S	S	*	*				90.4	141.4	127.6	-118.8	1	0	0	0	122.4
1683	R	38.6	Very low	37.5	Very low	210.6 Å²	210.6	123 Å²	123	80%	0.795	74%	0.74	S	S	*	*			trans	65.3	127.5	144.6	-72.6	165.3	-176	-170.1	-5.1	122.4
1684	S	35.6	Very low	37.5	Very low	113.2 Å²	113.2	124.8 Å²	124.8	79%	0.792	74%	0.74	S	S	*	*			trans	-58.9	172.3	135.8	-41.5	0	0	0	0	114.9
1685	P	45.6	Very low	37.3	Very low	110.4 Å²	110.4	120.9 Å²	120.9	72%	0.717	74%	0.735	S	S	*	*				-133.4	-174	-77.8	41.3	-24.4	0	0	0	115
1686	S	34.7	Very low	37.3	Very low	119.6 Å²	119.6	122 Å²	122	84%	0.836	74%	0.74	S	S	*	*			trans	111	142	151.8	-36.6	0	0	0	0	119.1
1687	G	35.2	Very low	37.2	Very low	69.4 Å²	69.4	123 Å²	123	72%	0.715	74%	0.74	S	S	*	*			trans	86.4	163.5	148.9	0	0	0	0	0	116.9
1688	S	34.5	Very low	36.9	Very low	115.8 Å²	115.8	124.6 Å²	124.6	81%	0.81	74%	0.742	S	S	*	*			cis	167.4	153.9	-39.8	24.8	0	0	0	0	110.9
1689	S	34.4	Very low	36.8	Very low	108.6 Å²	108.6	123.7 Å²	123.7	76%	0.759	74%	0.737	S	S	*	*			trans	70.7	144.8	164	47.1	0	0	0	0	115.8
1690	S	34.8	Very low	36.6	Very low	106 Å²	106	124.7 Å²	124.7	74%	0.741	73%	0.732	S	S	*	*				178.2	159.2	94	-31.3	0	0	0	0	114.2
1691	I	35	Very low	36.3	Very low	159.4 Å²	159.4	122.3 Å²	122.3	82%	0.817	73%	0.726	S	S	*	*			trans	150.5	139.4	167	10	165.6	0	0	0	114.9
1692	S	33.7	Very low	36	Very low	94 Å²	94	123.8 Å²	123.8	66%	0.657	73%	0.729	S	S	*	*			trans	80.7	143.5	137.2	-150.2	0	0	0	0	116.7
1693	S	39.2	Very low	35.8	Very low	92.6 Å²	92.6	122.9 Å²	122.9	65%	0.648	73%	0.732	S	S	*	*				-177.2	140.5	53.3	5.6	0	0	0	0	113.2	F1394	F1394-S1693 WeakPolarHBondContact O-CB 3.27Å
1694	H	37.7	Very low	35.6	Very low	164.4 Å²	164.4	117.7 Å²	117.7	76%	0.761	73%	0.728	S	S	*	*			trans	76.5	142.8	133.3	-69.5	-77.2	0	0	0	117.4	P1392 L1393 F1394	P1392-H1694 PolarHBondContact O-CE1 3.46Å; P1392-H1694 PolarHBondContact O-ND1 3.21Å; L1393-H1694 WeakPolarHBondContact CA-CE1 3.37Å; L1393-H1694 VanDerWaalsContact CA-ND1 3.34Å; L1393-H1694 WeakPolarHBondContact CA-ND1 3Å; L1393-H1694 WeakPolarHBondContact CA-NE2 3.46Å; L1393-H1694 HydrophobicContact CB-CB 3.41Å; L1393-H1694 VanDerWaalsContact CB-CB 3.41Å; L1393-H1694 WeakPolarHBondContact CB-CD2 3.49Å; L1393-H1694 WeakPolarHBondContact CB-CE1 2.98Å; L1393-H1694 WeakPolarHBondContact CB-ND1 3.44Å; L1393-H1694 WeakPolarHBondContact CB-NE2 3.45Å; L1393-H1694 HydrophobicContact CD1-CB 3.56Å; L1393-H1694 WeakPolarHBondContact CD1-CE1 3.1Å; L1393-H1694 WeakPolarHBondContact CD1-ND1 3.38Å; L1393-H1694 HydrophobicContact CD2-CB 4.09Å; L1393-H1694 WeakPolarHBondContact CD2-CD2 3.47Å; L1393-H1694 WeakPolarHBondContact CD2-NE2 2.87Å; L1393-H1694 HydrophobicContact CG-CB 3.46Å; L1393-H1694 VanDerWaalsContact CG-CB 3.46Å; L1393-H1694 WeakPolarHBondContact CG-CD2 3.23Å; L1393-H1694 WeakPolarHBondContact CG-CE1 3.11Å; L1393-H1694 WeakPolarHBondContact CG-ND1 3.32Å; L1393-H1694 WeakPolarHBondContact CG-NE2 2.25Å; F1394-H1694 AromaticContact CD2-NE2 3.46Å; F1394-H1694 WeakPolarHBondContact CD2-NE2 3.42Å; F1394-H1694 PolarHBondContact N-NE2 2.73Å
1695	G	34.8	Very low	35.5	Very low	63.2 Å²	63.2	117.4 Å²	117.4	65%	0.652	73%	0.726	S	S	*	*			trans	139.2	136.6	179	0	0	0	0	0	113.2
1696	L	39.5	Very low	34.9	Very low	149.4 Å²	149.4	116.7 Å²	116.7	78%	0.782	72%	0.724	S	S	*	*				82.2	128.2	68.9	-66.6	178.8	0	0	0	113.2
1697	E	34.1	Very low	34.9	Very low	149.2 Å²	149.2	115.6 Å²	115.6	70%	0.697	72%	0.716	S	S	*	*				106.7	144.8	72.7	-86.9	172.9	-167.7	0	0	116.7
1698	F	34.3	Very low	34.9	Very low	171.8 Å²	171.8	117.1 Å²	117.1	75%	0.754	72%	0.716	S	S	*	*				122	141.3	107.3	-101.8	-126.6	0	0	0	117.8
1699	L	36.4	Very low	34.8	Very low	138.2 Å²	138.2	116.5 Å²	116.5	72%	0.724	71%	0.711	S	S	*	*			trans	67.9	136.9	157.9	-60.8	167.3	0	0	0	118.4
1700	S	33.3	Very low	34.7	Very low	88.8 Å²	88.8	116.6 Å²	116.6	62%	0.621	71%	0.712	S	S	*	*				136.6	146.5	71.9	-80.9	0	0	0	0	113.5	S1623 D1624 C1625	S1623-S1700 CarbonylContact O-C 2.99Å; S1623-S1700 VanDerWaalsContact O-C 3.25Å; S1623-S1700 WeakPolarHBondContact O-CA 3.36Å; S1623-S1700 PolarHBondContact O-N 2.93Å; S1623-S1700 VanDerWaalsContact O-N 3.14Å; D1624-S1700 PolarHBondContact OD2-OG 3.45Å; C1625-S1700 WeakPolarHBondContact CA-OG 3.25Å; C1625-S1700 VanDerWaalsContact CB-CB 3.48Å; C1625-S1700 WeakPolarHBondContact CB-OG 3.24Å; C1625-S1700 PolarHBondContact N-OG 3.03Å; C1625-S1700 PolarHBondContact SG-OG 3.49Å
1701	S	33.6	Very low	34.7	Very low	85.2 Å²	85.2	116 Å²	116	60%	0.596	71%	0.708	S	S	*	*			cis	-174.2	140.7	29.5	-74	0	0	0	0	113.3	S1623 D1624	S1623-S1701 CarbonylContact C-O 3.2Å; S1623-S1701 VanDerWaalsContact CA-O 3.25Å; S1623-S1701 WeakPolarHBondContact CA-O 3.27Å; S1623-S1701 PolarHBondContact N-O 3.18Å; S1623-S1701 PolarHBondContact O-N 3.45Å; D1624-S1701 CarbonylContact O-C 3.49Å; D1624-S1701 VanDerWaalsContact O-CA 3.27Å; D1624-S1701 WeakPolarHBondContact O-CA 3.08Å; D1624-S1701 PolarHBondContact O-N 3.35Å
1702	H	33	Very low	34.7	Very low	167.2 Å²	167.2	116 Å²	116	77%	0.774	71%	0.709	S	S	*	*			trans	40.6	147.1	132.1	-59.4	-71	0	0	0	119.7	D1624 C1625 S1626	D1624-H1702 PolarHBondContact O-N 3.42Å; C1625-H1702 PolarHBondContact O-CD2 3.27Å; C1625-H1702 VanDerWaalsContact O-CD2 3.3Å; S1626-H1702 PolarHBondContact N-NE2 3.3Å
1703	S	34	Very low	34.6	Very low	104.4 Å²	104.4	117.1 Å²	117.1	73%	0.73	72%	0.715	S	S	*	*				143	152.6	73.1	-27.3	0	0	0	0	114.2
1704	S	33.1	Very low	34.5	Very low	100 Å²	100	116 Å²	116	70%	0.699	72%	0.719	S	S	*	*			cis	143.2	142.3	-23.6	53.3	0	0	0	0	115
1705	S	33.5	Very low	34.2	Very low	106.8 Å²	106.8	114.1 Å²	114.1	75%	0.747	72%	0.718	S	S	*	*			trans	83	146.4	151.5	60	0	0	0	0	116.8
1706	S	34.3	Very low	34.2	Very low	96.4 Å²	96.4	118.8 Å²	118.8	67%	0.674	73%	0.728	S	S	*	*			cis	163.4	150.1	12.3	48.7	0	0	0	0	111.8
1707	S	34.8	Very low	34.1	Very low	95.8 Å²	95.8	115.2 Å²	115.2	67%	0.67	72%	0.72	S	S	*	*				82.9	142.5	87.6	62.1	0	0	0	0	116.4
1708	S	34.3	Very low	34	Very low	102 Å²	102	114.3 Å²	114.3	71%	0.713	73%	0.725	S	S	*	*				104.5	138.6	94	-56	0	0	0	0	116	K1617	K1617-S1708 PolarHBondContact NZ-O 2.68Å
1709	S	32.6	Very low	34	Very low	103.6 Å²	103.6	110.9 Å²	110.9	72%	0.724	72%	0.722	S	S	*	*				56.7	131	129.6	51.4	0	0	0	0	118.1	K1617	K1617-S1709 PolarHBondContact NZ-OG 2.95Å
1710	S	33.6	Very low	33.8	Very low	109.4 Å²	109.4	109.2 Å²	109.2	77%	0.765	72%	0.722	S	S	*	*				145.3	156.9	89.5	65.6	0	0	0	0	112.8
1711	S	33.5	Very low	33.8	Very low	94.6 Å²	94.6	109.7 Å²	109.7	66%	0.662	73%	0.726	S	S	*	*			cis	-179.3	172.9	-3.4	50.8	0	0	0	0	109.4
1712	L	34.6	Very low	33.7	Very low	158.4 Å²	158.4	110.6 Å²	110.6	83%	0.829	73%	0.732	S	S	*	*			trans	79.3	145.5	158.8	-73.2	165.3	0	0	0	114.3
1713	C	32.3	Very low	33.7	Very low	118.6 Å²	118.6	107.4 Å²	107.4	80%	0.801	73%	0.729	S	S	*	*			cis	155.3	143.9	-13.6	-153.8	0	0	0	0	111.9
1714	G	36.5	Very low	33.5	Very low	69.4 Å²	69.4	107.4 Å²	107.4	72%	0.715	73%	0.728	S	S	*	*			trans	135.2	80.3	168.1	0	0	0	0	0	115
1715	T	33.3	Very low	33.3	Very low	123.2 Å²	123.2	107.4 Å²	107.4	76%	0.756	73%	0.728	S	S	*	*				31.9	141.7	118.1	-5.5	0	0	0	0	114.9
1716	L	34.8	Very low	33.2	Very low	161.4 Å²	161.4	107.2 Å²	107.2	85%	0.845	73%	0.727	S	S	*	*			trans	118.8	146.3	142.2	-100.2	85.1	0	0	0	115
1717	A	35.6	Very low	33	Very low	75.8 Å²	75.8	108.6 Å²	108.6	63%	0.626	73%	0.732	S	S	*	*				110.1	132.8	58.7	0	0	0	0	0	116.8
1718	T	32.8	Very low	32.8	Very low	128.6 Å²	128.6	109.2 Å²	109.2	79%	0.789	74%	0.736	S	S	*	*				105.7	133.5	111.9	41.7	0	0	0	0	115.6
1719	S	34	Very low	32.8	Very low	100.2 Å²	100.2	109.5 Å²	109.5	70%	0.701	74%	0.738	S	S	*	*				84.4	137.8	116.2	59.9	0	0	0	0	116.6
1720	S	33.2	Very low	32.7	Very low	103.4 Å²	103.4	109 Å²	109	72%	0.723	73%	0.734	S	S	*	*				122.8	160.5	87.4	25	0	0	0	0	116.5
1721	S	32.2	Very low	32.6	Very low	100.2 Å²	100.2	111.3 Å²	111.3	70%	0.701	73%	0.731	S	S	*	*			trans	80.3	124.2	136	40	0	0	0	0	119.5
1722	S	32.6	Very low	32.7	Very low	104 Å²	104	111.6 Å²	111.6	73%	0.727	73%	0.729	S	S	*	*				78.6	133.2	125.8	56.3	0	0	0	0	119.4
1723	S	31.4	Very low	32.6	Very low	100.2 Å²	100.2	109.4 Å²	109.4	70%	0.701	72%	0.718	S	S	*	*				61	128	116.5	21.3	0	0	0	0	118.9
1724	S	30.3	Very low	32.8	Very low	103 Å²	103	110.1 Å²	110.1	72%	0.72	71%	0.713	S	S	*	*				54.5	131.2	115	59	0	0	0	0	120.5
1725	S	29.4	Very low	32.6	Very low	99.6 Å²	99.6	113.5 Å²	113.5	70%	0.697	72%	0.715	S	S	*	*				91.3	136.2	108.2	64.9	0	0	0	0	116.5
1726	S	30.7	Very low	33.1	Very low	104 Å²	104	111.7 Å²	111.7	73%	0.727	71%	0.705	S	S	*	*				156.1	157.8	99.5	-36.5	0	0	0	0	114.8
1727	T	30.1	Very low	33.1	Very low	125.4 Å²	125.4	112.1 Å²	112.1	77%	0.769	70%	0.702	S	S	*	*			trans	9	155.2	150.2	52	0	0	0	0	114.6
1728	S	32	Very low	32.9	Very low	108.4 Å²	108.4	113.2 Å²	113.2	76%	0.758	70%	0.704	S	S	*	*			cis	-173.8	165.7	23.1	44.5	0	0	0	0	113.4
1729	S	32.7	Very low	33	Very low	108.4 Å²	108.4	114.6 Å²	114.6	76%	0.758	70%	0.702	S	S	*	*			trans	-163.2	144.3	154.8	57.8	0	0	0	0	113
1730	S	31.3	Very low	32.9	Very low	93.2 Å²	93.2	118.5 Å²	118.5	65%	0.652	70%	0.701	S	S	*	*			trans	101.9	141.9	131.7	61	0	0	0	0	115.1
1731	F	31.6	Very low	32.9	Very low	157.6 Å²	157.6	120.4 Å²	120.4	69%	0.691	70%	0.698	S	S	*	*				162.3	152.2	127.4	-101.5	-88.4	0	0	0	115.1	G1614 Y2688 Q2689	G1614-F1731 WeakPolarHBondContact O-CZ 2.98Å; F1731-Y2688 WeakPolarHBondContact CZ-O 3.47Å; F1731-Q2689 HydrophobicContact CD1-CB 4.15Å; F1731-Q2689 HydrophobicContact CD1-CG 3.59Å; F1731-Q2689 HydrophobicContact CE1-CB 3.81Å; F1731-Q2689 HydrophobicContact CE1-CG 3.77Å; F1731-Q2689 HydrophobicContact CG-CG 4.23Å; F1731-Q2689 HydrophobicContact CZ-CB 4.23Å
1732	T	36.4	Very low	33	Very low	101.4 Å²	101.4	119.4 Å²	119.4	62%	0.622	69%	0.691	S	S	*	*				62	143.1	117.6	44.5	0	0	0	0	116.2	Q2689	T1732-Q2689 PolarHBondContact OG1-NE2 3.12Å; T1732-Q2689 VanDerWaalsContact OG1-NE2 3.11Å
1733	D	32.4	Very low	33.1	Very low	111 Å²	111	122.7 Å²	122.7	59%	0.594	70%	0.695	S	S	*	*			cis	-153.2	156.7	49.4	-115.7	-35.5	0	0	0	114.6	I1615 M1616 K1617	I1615-D1733 VanDerWaalsContact O-CB 3.23Å; I1615-D1733 WeakPolarHBondContact O-CB 3.02Å; M1616-D1733 WeakPolarHBondContact CA-OD2 2.26Å; K1617-D1733 PolarHBondContact N-OD2 3.36Å
1734	L	35.8	Very low	33.4	Very low	134.6 Å²	134.6	123.1 Å²	123.1	71%	0.705	70%	0.697	S	S	*	*			trans	53	130.9	141.9	-57.2	170.2	0	0	0	120.5	K1617	K1617-L1734 HydrophobicContact CD-CD1 3.6Å; K1617-L1734 HydrophobicContact CD-CD2 3.95Å; K1617-L1734 HydrophobicContact CD-CG 4.26Å; K1617-L1734 HydrophobicContact CG-CD1 3.9Å
1735	D	33.1	Very low	33.7	Very low	140.2 Å²	140.2	125.1 Å²	125.1	75%	0.75	70%	0.7	S	S	*	*				33.8	162.1	91.1	-132.2	19.6	0	0	0	116.2
1736	P	43.4	Very low	34.4	Very low	85.8 Å²	85.8	125.5 Å²	125.5	56%	0.557	70%	0.7	S	S	*	*			cis	-135.4	-166.3	-43.9	39.8	-21.4	0	0	0	114.3
1737	H	34.4	Very low	34.6	Very low	169.2 Å²	169.2	127.8 Å²	127.8	78%	0.783	70%	0.699	S	S	*	*			trans	91.9	138	149.5	-82.4	22.3	0	0	0	118.2
1738	C	31.6	Very low	34.8	Very low	98.4 Å²	98.4	126.1 Å²	126.1	67%	0.665	69%	0.692	S	S	*	*				163.7	144	82.1	-84	0	0	0	0	114.5
1739	H	34.4	Very low	35.2	Very low	158 Å²	158	128.3 Å²	128.3	73%	0.731	69%	0.689	S	S	*	*			trans	114.1	149.4	141	-93.5	-15.2	0	0	0	115.6
1740	R	31.7	Very low	35.4	Very low	181.8 Å²	181.8	130.3 Å²	130.3	69%	0.686	68%	0.684	S	S	*	*			cis	150.8	155.8	-11.6	-111.4	174.1	-174.4	-136.9	7.6	110.6
1741	H	33.9	Very low	35.8	Very low	145 Å²	145	130.9 Å²	130.9	67%	0.671	68%	0.68	S	S	*	*				104.3	148.9	111.5	-86	-60.9	0	0	0	113.4
1742	S	33.6	Very low	36.2	Very low	79 Å²	79	130.6 Å²	130.6	55%	0.552	68%	0.681	S	S	*	*			cis	156.7	153.1	9.3	-57.9	0	0	0	0	114.9
1743	H	35.9	Very low	36.4	Very low	172.8 Å²	172.8	131.7 Å²	131.7	80%	0.8	68%	0.683	S	S	*	*			trans	76.4	141	153.3	-59.6	-64.6	0	0	0	115.7
1744	S	36.3	Very low	36.7	Very low	107.4 Å²	107.4	132.1 Å²	132.1	75%	0.751	69%	0.685	S	S	*	*			cis	155.2	136.6	38.1	53.2	0	0	0	0	114
1745	N	36.8	Very low	36.9	Very low	146.4 Å²	146.4	131.8 Å²	131.8	78%	0.783	68%	0.684	S	S	*	*			trans	-45	143.2	131.3	-135.9	16.7	0	0	0	113.5
1746	P	44	Very low	37.1	Very low	107.6 Å²	107.6	131.2 Å²	131.2	70%	0.699	68%	0.681	S	S	*	*				-129.3	-177.5	62.9	35.1	-17.5	0	0	0	113.9
1747	H	36.1	Very low	36.8	Very low	151.6 Å²	151.6	133.1 Å²	133.1	70%	0.702	69%	0.686	S	S	*	*				122.5	147	76.9	-146.4	58.8	0	0	0	114.1	H1749	H1747-H1749 AromaticContact CD2-CE1 3.71Å; H1747-H1749 AromaticContact NE2-CE1 3.58Å; H1747-H1749 AromaticContact NE2-ND1 3.9Å
1748	C	34.5	Very low	37	Very low	90.8 Å²	90.8	130.8 Å²	130.8	61%	0.614	68%	0.68	S	S	*	*			trans	107.1	142.7	157.5	-64.2	0	0	0	0	114.4
1749	H	38.9	Very low	37.3	Very low	154 Å²	154	133.1 Å²	133.1	71%	0.713	69%	0.685	S	S	*	*				156	155.2	70.1	-101.9	-41.3	0	0	0	111.7	H1747	H1747-H1749 AromaticContact CD2-CE1 3.71Å; H1747-H1749 AromaticContact NE2-CE1 3.58Å; H1747-H1749 AromaticContact NE2-ND1 3.9Å
1750	K	37.9	Very low	37.4	Very low	150.2 Å²	150.2	132.4 Å²	132.4	65%	0.653	69%	0.687	S	S	*	*			cis	153.4	149.2	18.9	-112	176.6	157.6	-83.5	0	114.2
1751	D	38.6	Very low	37.5	Very low	105.6 Å²	105.6	128.9 Å²	128.9	57%	0.565	69%	0.686	S	S	*	*				108.7	141.5	108.8	-78	-13.7	0	0	0	117
1752	H	40.7	Very low	37.5	Very low	152 Å²	152	130 Å²	130	70%	0.704	69%	0.691	S	S	*	*				67.9	141.4	103.3	-85.2	-77.9	0	0	0	116.5
1753	D	41.5	Very low	37.3	Very low	124 Å²	124	131.2 Å²	131.2	66%	0.663	70%	0.7	S	S	*	*			cis	-155.8	155.6	27.7	-112	-20.6	0	0	0	116.8
1754	N	38.6	Very low	37.1	Very low	119.6 Å²	119.6	130.3 Å²	130.3	64%	0.64	70%	0.7	S	S	*	*			trans	56.3	134	138.1	-79.9	-42.9	0	0	0	117.5
1755	N	38.4	Very low	36.7	Very low	127.8 Å²	127.8	129.9 Å²	129.9	68%	0.683	70%	0.697	S	S	*	*				118.5	124.7	127.5	-75.2	-32.3	0	0	0	118
1756	N	36.9	Very low	36.3	Very low	128.2 Å²	128.2	127.7 Å²	127.7	69%	0.686	69%	0.693	S	S	*	*				73.7	142.4	106.2	-64.7	-6.2	0	0	0	118.9
1757	N	38.8	Very low	35.6	Very low	125.8 Å²	125.8	126.3 Å²	126.3	67%	0.673	69%	0.686	S	S	*	*				113	148.2	128.5	-85.6	24.5	0	0	0	114.6
1758	D	37.8	Very low	35.3	Very low	121.6 Å²	121.6	127.1 Å²	127.1	65%	0.65	69%	0.688	S	S	*	*				94.2	150.1	100.4	-68.2	-27.8	0	0	0	114.2
1759	D	39	Very low	35	Very low	145.2 Å²	145.2	127.5 Å²	127.5	78%	0.776	69%	0.687	S	S	*	*				100.2	147.4	125	-78.2	-26.5	0	0	0	115.9
1760	D	35.3	Very low	34.5	Very low	144.4 Å²	144.4	124.5 Å²	124.5	77%	0.772	68%	0.684	S	S	*	*				110.4	147.8	82.2	-126.1	-12.4	0	0	0	114.9
1761	V	35	Very low	34.2	Very low	107.8 Å²	107.8	121.8 Å²	121.8	65%	0.653	68%	0.684	S	S	*	*			trans	61.9	119	150.5	175.6	0	0	0	0	118.3
1762	Q	32.7	Very low	33.8	Very low	168.4 Å²	168.4	122.7 Å²	122.7	79%	0.787	69%	0.694	S	S	*	*			trans	65.9	118.7	145	-67.8	167.4	40.7	0	0	117.8
1763	S	29.3	Very low	33.4	Very low	104 Å²	104	121.7 Å²	121.7	73%	0.727	70%	0.698	S	S	*	*				119.3	105.2	89.5	-76	0	0	0	0	115.4
1764	L	31.3	Very low	33	Very low	153.4 Å²	153.4	121.4 Å²	121.4	80%	0.803	71%	0.706	S	S	*	*			trans	-158.9	129.3	146.7	-80.8	169.7	0	0	0	115.2	S1766	L1764-S1766 PolarHBondContact O-N 2.78Å
1765	S	28.7	Very low	32.7	Very low	99.2 Å²	99.2	121.7 Å²	121.7	69%	0.694	71%	0.712	S	S	*	*			trans	28.9	133	142.1	-46.5	0	0	0	0	115	H1259	H1259-S1765 WeakPolarHBondContact CD2-CB 3.39Å
1766	S	28.4	Very low	32.4	Very low	101 Å²	101	121.4 Å²	121.4	71%	0.706	72%	0.719	S	S	*	*				177.4	150.8	115.4	55.2	0	0	0	0	111.7	H1259 L1764	H1259-S1766 WeakPolarHBondContact NE2-CA 3.26Å; L1764-S1766 PolarHBondContact O-N 2.78Å
1767	S	28.7	Very low	32.2	Very low	78 Å²	78	120.4 Å²	120.4	55%	0.545	72%	0.722	S	S	.	*			trans	-33.2	136.6	151.8	-51.9	0	0	0	0	115.9	H1259 E1260 D1261	H1259-S1767 PolarHBondContact ND1-N 3.39Å; H1259-S1767 PolarHBondContact ND1-OG 2.96Å; E1260-S1767 PolarHBondContact O-OG 3.46Å; D1261-S1767 WeakPolarHBondContact O-CB 3.28Å; D1261-S1767 PolarHBondContact O-OG 2.95Å
1768	F	29.4	Very low	32.1	Very low	168.6 Å²	168.6	121.2 Å²	121.2	74%	0.739	73%	0.731	S	S	*	*				152.6	119.7	122.6	-77	-60.1	0	0	0	116.2	D1261 R1268	D1261-F1768 HydrophobicContact CB-CD1 4.41Å; D1261-F1768 HydrophobicContact CB-CE1 3.86Å; D1261-F1768 HydrophobicContact CB-CZ 4.34Å; D1261-F1768 WeakPolarHBondContact OD2-CE1 3.3Å; D1261-F1768 WeakPolarHBondContact OD2-CZ 3.48Å; R1268-F1768 PolarHBondContact NH2-O 2.64Å
1769	T	29.5	Very low	31.9	Very low	98 Å²	98	119.6 Å²	119.6	60%	0.601	74%	0.735	S	S	*	*				40.4	128	122.4	47	0	0	0	0	117.9	L1262 N1264 S1265 R1268	L1262-T1769 HydrophobicContact CD2-CG2 3.97Å; N1264-T1769 WeakPolarHBondContact O-CB 3.08Å; N1264-T1769 PolarHBondContact O-OG1 3.49Å; S1265-T1769 VanDerWaalsContact CB-CB 3.46Å; R1268-T1769 PolarHBondContact NH2-O 3.03Å; R1268-T1769 VanDerWaalsContact NH2-O 3.12Å
1770	S	28.7	Very low	31.7	Very low	92.4 Å²	92.4	120.3 Å²	120.3	65%	0.646	74%	0.738	S	S	*	*				80.3	137	112.9	-21.3	0	0	0	0	117.2	S1265 R1268	S1265-S1770 WeakPolarHBondContact OG-CA 3.2Å; S1265-S1770 PolarHBondContact OG-N 3.46Å; S1265-S1770 VanDerWaalsContact OG-N 3.16Å; R1268-S1770 VanDerWaalsContact CZ-OG 3.31Å; R1268-S1770 PolarHBondContact NE-OG 2.93Å; R1268-S1770 VanDerWaalsContact NH2-CB 3.29Å; R1268-S1770 PolarHBondContact NH2-OG 3.28Å
1771	S	30.5	Very low	31.7	Very low	93.8 Å²	93.8	122 Å²	122	66%	0.656	74%	0.741	S	S	*	*			trans	-169.4	126.7	141	-56.6	0	0	0	0	113.7	M1266 R1268	M1266-S1771 VanDerWaalsContact C-OG 3.27Å; M1266-S1771 WeakPolarHBondContact O-CB 3.45Å; M1266-S1771 PolarHBondContact O-OG 2.89Å; M1266-S1771 VanDerWaalsContact O-OG 3.1Å; M1266-S1771 WeakPolarHBondContact SD-CA 3.48Å; M1266-S1771 PolarHBondContact SD-N 3.16Å; M1266-S1771 VanDerWaalsContact SD-N 3.44Å; R1268-S1771 PolarHBondContact N-OG 3.23Å
1772	T	30.5	Very low	31.9	Very low	124.2 Å²	124.2	122.6 Å²	122.6	76%	0.762	75%	0.745	S	S	*	*				97.3	124	101.2	64	0	0	0	0	114.5
1773	T	31.5	Very low	32	Very low	129.4 Å²	129.4	122.1 Å²	122.1	79%	0.794	75%	0.748	S	S	*	*			trans	-162.8	113.7	134.9	50.6	0	0	0	0	113.9	I1270	I1270-T1773 HydrophobicContact CD1-CG2 4.36Å
1774	S	33.4	Very low	32.3	Very low	118 Å²	118	122.9 Å²	122.9	83%	0.825	75%	0.748	S	S	*	*			trans	-135.3	144	151.5	57.9	0	0	0	0	110.5
1775	T	32.2	Very low	32.5	Very low	126.8 Å²	126.8	122.7 Å²	122.7	78%	0.778	75%	0.746	S	S	*	*			trans	-129.5	124.3	-176.8	40.5	0	0	0	0	112.1
1776	C	32.7	Very low	32.8	Very low	121.4 Å²	121.4	126.8 Å²	126.8	82%	0.82	75%	0.751	S	S	*	*			trans	68.9	129.8	138.2	22.6	0	0	0	0	115.3	T1778	C1776-T1778 PolarHBondContact O-N 3.41Å
1777	S	32.3	Very low	33	Very low	106.6 Å²	106.6	127.8 Å²	127.8	75%	0.745	76%	0.757	S	S	*	*			trans	-125.6	146.2	164	-70	0	0	0	0	110.8
1778	T	36.7	Very low	33.3	Very low	143 Å²	143	130.9 Å²	130.9	88%	0.877	77%	0.767	S	S	*	*			trans	138.3	147.8	135.3	36.3	0	0	0	0	114	C1776	C1776-T1778 PolarHBondContact O-N 3.41Å
1779	A	33.6	Very low	33.6	Very low	87.4 Å²	87.4	129.3 Å²	129.3	72%	0.722	77%	0.766	S	S	*	*			trans	-131.5	147.6	-177.4	0	0	0	0	0	112.4
1780	L	36.3	Very low	33.8	Very low	160.2 Å²	160.2	128.9 Å²	128.9	84%	0.839	77%	0.768	S	S	*	*				175	147.5	118.1	-98.2	138.4	0	0	0	113.6	V1782	L1780-V1782 HydrophobicContact CD2-CG2 3.66Å
1781	E	35.1	Very low	34.2	Very low	180 Å²	180	131.9 Å²	131.9	84%	0.841	77%	0.772	S	S	*	*			trans	-101.7	148	140.6	-72.1	163.6	132.3	0	0	111.2
1782	V	37.6	Very low	34.4	Very low	120.8 Å²	120.8	135.1 Å²	135.1	73%	0.732	78%	0.776	S	S	*	*			trans	-144.6	131.3	147	-151.9	0	0	0	0	111.9	L1780 V1784	L1780-V1782 HydrophobicContact CD2-CG2 3.66Å; V1782-V1784 HydrophobicContact CG1-CG2 3.97Å; V1782-V1784 PolarHBondContact O-N 3.16Å
1783	N	34.9	Very low	34.5	Very low	158 Å²	158	136.9 Å²	136.9	85%	0.845	78%	0.776	S	S	*	*			trans	-106.8	139.8	146.6	-103.4	-39.7	0	0	0	111.9
1784	V	35.7	Very low	34.7	Very low	120.6 Å²	120.6	138.8 Å²	138.8	73%	0.731	78%	0.776	S	S	*	*			trans	-149.6	127.6	162.8	174.5	0	0	0	0	110.5	V1782	V1782-V1784 HydrophobicContact CG1-CG2 3.97Å; V1782-V1784 PolarHBondContact O-N 3.16Å
1785	I	36.9	Very low	34.6	Very low	149.8 Å²	149.8	140 Å²	140	77%	0.768	77%	0.773	S	S	*	*			trans	-179.2	119.5	148.8	-65.3	170.2	0	0	0	113.2
1786	K	33.5	Very low	34.9	Very low	185.4 Å²	185.4	140 Å²	140	81%	0.806	77%	0.772	S	S	*	*			trans	16.1	142.3	150.4	-130.5	173.6	-176.8	178.6	0	115.2
1787	C	34.3	Very low	35	Very low	120.6 Å²	120.6	141.3 Å²	141.3	82%	0.815	77%	0.771	S	S	*	*				-131.7	147.8	118.6	-73.4	0	0	0	0	113.2
1788	N	34.9	Very low	35.6	Very low	144 Å²	144	141 Å²	141	77%	0.77	77%	0.767	S	S	*	*			trans	-131.2	155.9	157.9	-97.2	7.5	0	0	0	111.9
1789	N	35.4	Very low	35.6	Very low	134.8 Å²	134.8	140.5 Å²	140.5	72%	0.721	76%	0.764	S	S	*	*			trans	111.5	129.9	148.6	-81.6	1.5	0	0	0	114.5	N2186	N1789-N2186 PolarHBondContact ND2-ND2 3.42Å
1790	S	33.8	Very low	35.7	Very low	89.8 Å²	89.8	142.7 Å²	142.7	63%	0.628	77%	0.768	S	S	*	*				-151.7	150.8	114.8	-49.7	0	0	0	0	111.5	N2185 N2186 N2187	S1790-N2185 WeakPolarHBondContact CB-OD1 3.4Å; S1790-N2185 WeakPolarHBondContact OG-CA 3.2Å; S1790-N2185 PolarHBondContact OG-N 3.36Å; S1790-N2186 WeakPolarHBondContact O-CB 3.43Å; S1790-N2186 PolarHBondContact O-ND2 3.15Å; S1790-N2186 PolarHBondContact OG-N 3.44Å; S1790-N2187 PolarHBondContact O-OD1 2.78Å
1791	Q	36.2	Very low	35.9	Very low	155.8 Å²	155.8	140.3 Å²	140.3	73%	0.728	76%	0.762	S	S	*	*			trans	43.3	133.8	157	-77.5	-179.7	13.9	0	0	117.5	N2185 N2187	Q1791-N2185 CarbonylContact C-O 3.25Å; Q1791-N2185 VanDerWaalsContact C-O 3.25Å; Q1791-N2185 VanDerWaalsContact CA-O 3.29Å; Q1791-N2185 WeakPolarHBondContact CA-O 2.94Å; Q1791-N2185 PolarHBondContact N-OD1 2.85Å; Q1791-N2185 PolarHBondContact O-ND2 3.18Å; Q1791-N2185 PolarHBondContact O-OD1 3.42Å; Q1791-N2187 HydrophobicContact CG-CB 4.1Å; Q1791-N2187 WeakPolarHBondContact CG-ND2 3.38Å
1792	Q	34.3	Very low	35.8	Very low	160.6 Å²	160.6	138.4 Å²	138.4	75%	0.75	76%	0.758	S	S	*	*				-165.3	137.6	73.6	-72.2	172.5	3.5	0	0	114.4	N2185	Q1792-N2185 PolarHBondContact N-O 2.94Å
1793	Q	33.5	Very low	35.8	Very low	161 Å²	161	140.7 Å²	140.7	75%	0.752	76%	0.761	S	S	*	*			trans	142	141.5	133.1	-94.8	176.7	20.5	0	0	114.5	N1795	Q1793-N1795 PolarHBondContact NE2-OD1 3.47Å
1794	Q	34.4	Very low	35.9	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.794	76%	0.755	S	S	*	*				127	117.4	118.3	-80.8	176.6	10.8	0	0	113.3
1795	N	32.6	Very low	35.8	Very low	144.2 Å²	144.2	144.9 Å²	144.9	77%	0.771	76%	0.761	S	S	*	*				80.8	120.1	80.2	-98.1	13.3	0	0	0	113.9	Q1793	Q1793-N1795 PolarHBondContact NE2-OD1 3.47Å
1796	V	38.9	Very low	35.7	Very low	126.2 Å²	126.2	142.3 Å²	142.3	77%	0.765	76%	0.756	S	S	*	*			cis	-168.6	135.1	47.3	162.5	0	0	0	0	110.3
1797	D	34.3	Very low	35.8	Very low	148.4 Å²	148.4	142.8 Å²	142.8	79%	0.794	76%	0.759	S	S	*	*			trans	-58.3	179.2	155.6	-105.4	-25.5	0	0	0	117.2
1798	P	43.8	Very low	35.7	Very low	99.6 Å²	99.6	147.3 Å²	147.3	65%	0.647	76%	0.759	S	S	*	*			trans	-121.5	-178	-138.9	40.4	-27.1	0	0	0	115.2
1799	T	37.6	Very low	35.9	Very low	133.6 Å²	133.6	147 Å²	147	82%	0.82	76%	0.756	S	S	*	*			trans	157.3	133.9	150.8	40.8	0	0	0	0	115.2
1800	T	36.7	Very low	35.8	Very low	132.8 Å²	132.8	146.7 Å²	146.7	82%	0.815	75%	0.754	S	S	*	*			trans	-128.1	160.6	151.1	47	0	0	0	0	111.4
1801	P	40.3	Very low	36	Very low	110.75 Å²	110.75	149.1 Å²	149.1	72%	0.719	76%	0.759	S	S	*	*				-132.6	170.5	69.9	39.7	-25.3	0	0	0	116.5
1802	D	32.5	Very low	36.2	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	76%	0.761	S	S	*	*			trans	48.1	137.3	152.1	-76.9	-59.4	0	0	0	121.7
1803	H	37.5	Very low	36.3	Very low	170.5 Å²	170.5	147.7 Å²	147.7	79%	0.789	76%	0.76	S	S	*	*				-162.6	127.3	125	-91	5.1	0	0	0	115.9
1804	N	36	Very low	36.3	Very low	135.25 Å²	135.25	147.1 Å²	147.1	72%	0.723	76%	0.762	S	S	*	*			trans	44.3	140.3	140.7	-86.9	-69.6	0	0	0	119.9
1805	R	35.3	Very low	36.5	Very low	230.5 Å²	230.5	148.3 Å²	148.3	87%	0.87	77%	0.765	S	S	*	*				87.8	111.6	122.6	-117.1	178.1	-177.4	-179	1.3	118
1806	S	33.6	Very low	36.6	Very low	95 Å²	95	146 Å²	146	66%	0.664	76%	0.76	S	S	*	*				65.3	120.6	127.2	-86.4	0	0	0	0	118.5
1807	K	35.9	Very low	36.5	Very low	196 Å²	196	146.7 Å²	146.7	85%	0.852	76%	0.759	S	S	*	*			trans	73.7	116.9	136.4	-70.4	166.5	-173.9	176	0	115.5
1808	R	33.1	Very low	36.5	Very low	216.5 Å²	216.5	149.9 Å²	149.9	82%	0.817	76%	0.76	S	S	*	*				-167.3	146.9	84.8	-121.7	174.2	121.4	177.5	-0.1	110	D1810	R1808-D1810 IonicContact CZ-OD2 3.23Å; R1808-D1810 VanDerWaalsContact CZ-OD2 3.23Å; R1808-D1810 IonicContact NE-OD2 2.96Å; R1808-D1810 PolarHBondContact NE-OD2 3.33Å; R1808-D1810 IonicContact NH2-OD2 3.36Å; R1808-D1810 PolarHBondContact NH2-OD2 3.13Å
1809	L	37.9	Very low	36.2	Very low	136.25 Å²	136.25	151.7 Å²	151.7	71%	0.713	76%	0.764	S	S	*	*				91.8	138.5	100.3	-90.9	153.8	0	0	0	113.5	I1811	L1809-I1811 HydrophobicContact CD2-CD1 4.42Å
1810	D	34.1	Very low	36.1	Very low	128.5 Å²	128.5	152 Å²	152	69%	0.687	76%	0.76	S	S	*	*			trans	-0.7	160.7	169.4	-66.7	-60.8	0	0	0	113.5	R1808	R1808-D1810 IonicContact CZ-OD2 3.23Å; R1808-D1810 VanDerWaalsContact CZ-OD2 3.23Å; R1808-D1810 IonicContact NE-OD2 2.96Å; R1808-D1810 PolarHBondContact NE-OD2 3.33Å; R1808-D1810 IonicContact NH2-OD2 3.36Å; R1808-D1810 PolarHBondContact NH2-OD2 3.13Å
1811	I	37.7	Very low	36.1	Very low	140.75 Å²	140.75	152.2 Å²	152.2	72%	0.722	75%	0.752	S	S	*	*			trans	86.3	135.5	139	-47.9	163.5	0	0	0	116.5	L1809	L1809-I1811 HydrophobicContact CD2-CD1 4.42Å
1812	I	40.9	Very low	35.9	Very low	152.25 Å²	152.25	153.5 Å²	153.5	78%	0.781	75%	0.748	S	S	*	*			trans	88.4	121.5	163.2	-56.5	-176.7	0	0	0	117.7
1813	N	35.5	Very low	36.2	Very low	134.5 Å²	134.5	153.9 Å²	153.9	72%	0.719	75%	0.749	S	S	*	*			trans	133.5	143.6	176.7	-107.6	-23.9	0	0	0	114.2	K1815	N1813-K1815 PolarHBondContact O-N 2.93Å
1814	N	34	Very low	36.1	Very low	147.5 Å²	147.5	154.2 Å²	154.2	79%	0.789	75%	0.749	S	S	*	*			trans	15.2	104.6	143	-90.7	-28.1	0	0	0	117.7
1815	K	38.2	Very low	36.1	Very low	196.5 Å²	196.5	156.4 Å²	156.4	85%	0.854	75%	0.752	S	S	*	*			trans	-170.7	124.5	146	-106.8	164.9	-176.6	177	0	110.9	N1813	N1813-K1815 PolarHBondContact O-N 2.93Å
1816	S	34.4	Very low	36.1	Very low	96.5 Å²	96.5	152.2 Å²	152.2	68%	0.675	75%	0.746	S	S	*	*			cis	171.6	144.1	18.1	-122.4	0	0	0	0	110.4
1817	N	36.6	Very low	36	Very low	139.25 Å²	139.25	152.8 Å²	152.8	75%	0.745	75%	0.75	S	S	*	*			trans	91.2	121.9	166.3	-76.3	-35.3	0	0	0	114.2
1818	R	35	Very low	35.9	Very low	216.25 Å²	216.25	148.2 Å²	148.2	82%	0.816	74%	0.742	S	S	*	*			cis	-175.4	137.8	17.2	-91.4	174.8	-179.8	-170.8	-1.4	109.9
1819	L	37.2	Very low	36.1	Very low	138.5 Å²	138.5	145.5 Å²	145.5	73%	0.725	74%	0.738	S	S	*	*			trans	139.1	113	151	-92.9	151.7	0	0	0	112	Q1821	L1819-Q1821 HydrophobicContact CD2-CB 4.04Å; L1819-Q1821 HydrophobicContact CD2-CG 4.35Å
1820	N	35.9	Very low	36.1	Very low	138.75 Å²	138.75	145 Å²	145	74%	0.742	74%	0.737	S	S	*	*				-140.5	134.1	79	-85.6	-28.3	0	0	0	113.4	E2364	N1820-E2364 CarbonylContact C-O 3.55Å
1821	Q	37.3	Very low	36.3	Very low	136.25 Å²	136.25	145.2 Å²	145.2	64%	0.637	74%	0.738	S	S	*	*			cis	169.8	128.9	-4.6	-106.1	-170.7	58.1	0	0	110.4	L1819 E2364	L1819-Q1821 HydrophobicContact CD2-CB 4.04Å; L1819-Q1821 HydrophobicContact CD2-CG 4.35Å; Q1821-E2364 PolarHBondContact N-O 3.05Å; Q1821-E2364 CarbonylContact O-C 3.11Å; Q1821-E2364 PolarHBondContact O-N 2.84Å
1822	Q	35.6	Very low	36.4	Very low	138.5 Å²	138.5	146.2 Å²	146.2	65%	0.647	74%	0.739	S	S	*	*			trans	-126.9	136	145.7	-65.8	170.7	8	0	0	115.9	K1824 L2365	Q1822-K1824 VanDerWaalsContact C-N 3.28Å; Q1822-K1824 PolarHBondContact O-N 2.95Å; Q1822-L2365 PolarHBondContact O-N 3.27Å
1823	L	38.6	Very low	36.1	Very low	147 Å²	147	144 Å²	144	77%	0.77	73%	0.733	S	S	*	*				-106.1	120.9	95.8	-104	86.6	0	0	0	110.1	L2363	L1823-L2363 HydrophobicContact CD1-CD1 4.24Å; L1823-L2363 VanDerWaalsContact CD1-N 3.31Å
1824	K	35.1	Very low	36.1	Very low	177.25 Å²	177.25	143.6 Å²	143.6	77%	0.771	73%	0.73	S	S	*	*				79.2	122.9	117.7	-117	-179.5	-178.9	172.5	0	112.7	Q1822	Q1822-K1824 VanDerWaalsContact C-N 3.28Å; Q1822-K1824 PolarHBondContact O-N 2.95Å
1825	K	36.4	Very low	36.1	Very low	182 Å²	182	144.2 Å²	144.2	79%	0.791	73%	0.728	S	S	*	*			trans	130.4	132.2	156.3	-77.1	-179.8	176.9	-173.1	0	112.2
1826	N	33.9	Very low	35.9	Very low	141.25 Å²	141.25	140 Å²	140	76%	0.755	72%	0.722	S	S	*	*				152.2	154	78.8	-81.1	1.6	0	0	0	113.5
1827	C	32.9	Very low	36.1	Very low	109.25 Å²	109.25	141 Å²	141	74%	0.738	72%	0.724	S	S	*	*			trans	133	131.6	149.8	-75	0	0	0	0	114
1828	S	33.7	Very low	36.1	Very low	98.25 Å²	98.25	140.7 Å²	140.7	69%	0.687	72%	0.722	S	S	*	*				83.5	130.6	113.6	68.6	0	0	0	0	113.8
1829	E	37.6	Very low	36.1	Very low	159.25 Å²	159.25	136.4 Å²	136.4	74%	0.744	72%	0.715	S	S	*	*				-174.8	132.1	76.3	-93.3	170.7	167.1	0	0	111.5
1830	N	37.4	Very low	36.2	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	71%	0.711	S	S	*	*				85.5	146.9	93.1	-70.2	-35.1	0	0	0	115.1
1831	N	37.2	Very low	36.4	Very low	134 Å²	134	135 Å²	135	72%	0.717	71%	0.709	S	S	*	*				122.7	139	69.2	-71.5	-31.2	0	0	0	113.4
1832	Q	40.2	Very low	36.4	Very low	160.5 Å²	160.5	135.1 Å²	135.1	75%	0.75	71%	0.714	S	S	*	*			cis	-157.7	142.7	48.2	-100.9	177	14.5	0	0	112.3	N2357	Q1832-N2357 WeakPolarHBondContact O-CB 3.03Å; Q1832-N2357 PolarHBondContact O-ND2 3.33Å
1833	T	35.2	Very low	36.5	Very low	107 Å²	107	135.9 Å²	135.9	66%	0.656	72%	0.721	S	S	*	*			trans	48.6	86.6	150	-22	0	0	0	0	119.4	H2356 N2357	T1833-H2356 HydrophobicContact CG2-CB 4.48Å; T1833-H2356 VanDerWaalsContact N-C 3.29Å; T1833-H2356 PolarHBondContact O-ND1 3.13Å; T1833-H2356 WeakPolarHBondContact OG1-CB 3.49Å; T1833-H2356 PolarHBondContact OG1-CD2 3.28Å; T1833-H2356 VanDerWaalsContact OG1-CG 3.24Å; T1833-N2357 VanDerWaalsContact C-ND2 3.28Å; T1833-N2357 WeakPolarHBondContact CA-ND2 3.25Å; T1833-N2357 PolarHBondContact O-ND2 3.25Å; T1833-N2357 PolarHBondContact O-OD1 3.48Å; T1833-N2357 VanDerWaalsContact O-OD1 3.06Å
1834	I	35.9	Very low	36.4	Very low	126.25 Å²	126.25	131.7 Å²	131.7	65%	0.647	71%	0.713	S	S	*	*				52.9	117.8	115.1	-85.7	171.5	0	0	0	115.7	H2356 N2357	I1834-H2356 HydrophobicContact CB-CB 4.48Å; I1834-H2356 VanDerWaalsContact N-CG 3.3Å; I1834-H2356 PolarHBondContact N-ND1 2.71Å; I1834-H2356 PolarHBondContact O-ND1 3.14Å; I1834-H2356 VanDerWaalsContact O-ND1 3.17Å; I1834-N2357 VanDerWaalsContact CA-CG 3.41Å; I1834-N2357 WeakPolarHBondContact CA-OD1 3.48Å; I1834-N2357 HydrophobicContact CB-CB 4.16Å; I1834-N2357 PolarHBondContact N-OD1 3.01Å
1835	Q	34.4	Very low	36.5	Very low	159.5 Å²	159.5	129.2 Å²	129.2	75%	0.745	71%	0.713	S	S	*	*				107.7	126.5	108.5	-152.2	176.9	23.9	0	0	114.4	V1837	Q1835-V1837 HydrophobicContact CG-CG2 4.41Å
1836	C	33.6	Very low	36.6	Very low	109 Å²	109	127.2 Å²	127.2	74%	0.736	71%	0.711	S	S	*	*			trans	113.3	151.7	156.6	-75.7	0	0	0	0	113.2
1837	V	37.9	Very low	36.7	Very low	118 Å²	118	125 Å²	125	72%	0.715	71%	0.706	S	S	*	*				144.7	118.7	93.2	-166	0	0	0	0	113.4	Q1835	Q1835-V1837 HydrophobicContact CG-CG2 4.41Å
1838	N	36.5	Very low	36.9	Very low	132 Å²	132	126.5 Å²	126.5	71%	0.706	71%	0.706	S	S	*	*			trans	41.5	146.1	152.4	-67.4	12.8	0	0	0	117.3
1839	N	36.5	Very low	37.1	Very low	125 Å²	125	129 Å²	129	67%	0.668	71%	0.711	S	S	*	*				-175.1	151.1	63.1	-104.5	19.9	0	0	0	111.8
1840	D	37.3	Very low	37.2	Very low	119.25 Å²	119.25	127.8 Å²	127.8	64%	0.638	71%	0.709	S	S	*	*				-131.2	174.9	67	-87.6	-40.5	0	0	0	114.1
1841	N	40.5	Very low	37.2	Very low	128.75 Å²	128.75	129.1 Å²	129.1	69%	0.689	71%	0.711	S	S	*	*			trans	75.8	126.8	161.5	-55.5	-61.1	0	0	0	117.6
1842	N	36.9	Very low	37.3	Very low	138.75 Å²	138.75	131.3 Å²	131.3	74%	0.742	71%	0.709	S	S	*	*			cis	176.1	143.5	33.2	-108.6	-28.3	0	0	0	109.2
1843	I	37.9	Very low	37.2	Very low	155.25 Å²	155.25	131.4 Å²	131.4	80%	0.796	71%	0.71	S	S	*	*			trans	74.8	126.8	130.7	-54	169.5	0	0	0	113.3	T1845	I1843-T1845 HydrophobicContact CG2-CG2 3.66Å
1844	G	37.6	Very low	37.5	Very low	59.25 Å²	59.25	132.5 Å²	132.5	61%	0.611	71%	0.711	S	S	*	*				157.4	113.3	-56.2	0	0	0	0	0	112
1845	T	37.9	Very low	37.6	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	71%	0.713	S	S	*	*				53	120.9	100.4	65.4	0	0	0	0	114.6	I1843	I1843-T1845 HydrophobicContact CG2-CG2 3.66Å
1846	D	36.7	Very low	37.7	Very low	140.5 Å²	140.5	136.2 Å²	136.2	75%	0.751	72%	0.716	S	S	*	*			cis	-163.5	161.3	19.7	-111.3	-19.4	0	0	0	109.9
1847	S	37.4	Very low	37.9	Very low	94.5 Å²	94.5	136.5 Å²	136.5	66%	0.661	72%	0.719	S	S	*	*			cis	144.4	132.7	42.9	-104.1	0	0	0	0	114.3
1848	I	37.5	Very low	37.9	Very low	141.25 Å²	141.25	135.2 Å²	135.2	72%	0.724	72%	0.716	S	S	*	*			trans	35.5	127.1	138.5	-61.3	167	0	0	0	115	I1850	I1848-I1850 HydrophobicContact CG2-CD1 4.09Å; I1848-I1850 HydrophobicContact CG2-CG1 4.2Å
1849	N	36.9	Very low	38	Very low	150.25 Å²	150.25	136.1 Å²	136.1	80%	0.803	72%	0.716	S	S	*	*				-156.9	151.4	114	-120	-31.8	0	0	0	112.5
1850	I	39.2	Very low	38.2	Very low	135 Å²	135	139.5 Å²	139.5	69%	0.692	72%	0.719	S	S	*	*			trans	-123.5	123.7	172.4	-61.5	165.7	0	0	0	110.3	I1848	I1848-I1850 HydrophobicContact CG2-CD1 4.09Å; I1848-I1850 HydrophobicContact CG2-CG1 4.2Å
1851	E	39.1	Very low	38.4	Very low	153.5 Å²	153.5	142.5 Å²	142.5	72%	0.717	73%	0.729	S	S	*	*			trans	-154.4	152.8	131.5	-116.3	176.7	-176.6	0	0	112
1852	R	38.5	Very low	38.3	Very low	180 Å²	180	141.2 Å²	141.2	68%	0.679	73%	0.73	S	S	*	*			trans	6	140.3	132.4	-74.6	-179.2	-135.8	91.1	7.2	112.9
1853	E	38	Very low	38.5	Very low	163 Å²	163	145.5 Å²	145.5	76%	0.762	74%	0.736	S	S	*	*			cis	-165.5	151.9	35.6	-150	124.2	-161.8	0	0	110.3
1854	D	40.7	Very low	38.7	Very low	129 Å²	129	146.6 Å²	146.6	69%	0.69	74%	0.735	S	S	*	*			trans	52	136	145.3	-106.3	-17.5	0	0	0	118.1
1855	Q	38.5	Very low	39	Very low	144.5 Å²	144.5	151 Å²	151	68%	0.675	74%	0.739	S	S	*	*				143.6	146.2	121.7	-94.1	176.8	72.1	0	0	119.3
1856	R	37	Very low	39.2	Very low	219.5 Å²	219.5	152.4 Å²	152.4	83%	0.828	74%	0.737	S	S	*	*			trans	10.9	129.1	162.7	-57.5	152.9	-174.2	-148.2	-1.6	114.4
1857	S	38.1	Very low	39.4	Very low	114.25 Å²	114.25	156 Å²	156	80%	0.799	74%	0.74	S	S	*	*				132.2	136.7	83.3	-166.5	0	0	0	0	114.1
1858	S	38.2	Very low	39.6	Very low	91.75 Å²	91.75	162.6 Å²	162.6	64%	0.642	75%	0.75	S	S	*	*			trans	39.5	158.3	168.8	94.2	0	0	0	0	115.9
1859	H	38.4	Very low	39.8	Very low	151 Å²	151	163.3 Å²	163.3	70%	0.699	75%	0.75	S	S	*	*				131	120.4	123	-121.6	66.4	0	0	0	118.3	A1551 T1552 N1553	A1551-H1859 PolarHBondContact O-ND1 2.91Å; T1552-H1859 CarbonylContact O-C 3.21Å; T1552-H1859 WeakPolarHBondContact O-CA 3.33Å; T1552-H1859 WeakPolarHBondContact O-CB 3.49Å; T1552-H1859 PolarHBondContact O-ND1 3.28Å; T1552-H1859 PolarHBondContact OG1-CE1 2.85Å; T1552-H1859 PolarHBondContact OG1-ND1 3.08Å; N1553-H1859 VanDerWaalsContact CB-CD2 3.47Å; N1553-H1859 WeakPolarHBondContact CB-CD2 3.35Å; N1553-H1859 WeakPolarHBondContact CB-NE2 3.5Å; N1553-H1859 PolarHBondContact N-CD2 2.92Å; N1553-H1859 PolarHBondContact N-ND1 3.4Å; N1553-H1859 PolarHBondContact N-NE2 2.92Å; N1553-H1859 PolarHBondContact ND2-NE2 3.13Å; N1553-H1859 VanDerWaalsContact ND2-NE2 3.16Å
1860	R	39.3	Very low	40	Very low	197 Å²	197	161.7 Å²	161.7	74%	0.743	75%	0.749	S	S	*	*			trans	-125.1	109.9	156	-90.5	177.9	-171.7	177.5	6.3	115.8	T1552 N1553 S1862	T1552-R1860 VanDerWaalsContact C-CB 3.5Å; T1552-R1860 WeakPolarHBondContact O-CA 3.39Å; T1552-R1860 VanDerWaalsContact O-CB 3.26Å; T1552-R1860 WeakPolarHBondContact O-CB 3.14Å; T1552-R1860 WeakPolarHBondContact O-CG 3.39Å; T1552-R1860 PolarHBondContact O-N 3.44Å; N1553-R1860 VanDerWaalsContact CA-CD 3.42Å; N1553-R1860 VanDerWaalsContact CA-NH1 3.31Å; N1553-R1860 WeakPolarHBondContact O-CB 3.33Å; N1553-R1860 VanDerWaalsContact OD1-CZ 3.31Å; N1553-R1860 PolarHBondContact OD1-NH1 2.92Å; N1553-R1860 PolarHBondContact OD1-NH2 2.04Å; R1860-S1862 PolarHBondContact O-N 3.38Å
1861	H	41.6	Very low	40.3	Very low	180.5 Å²	180.5	165.3 Å²	165.3	84%	0.836	75%	0.754	S	S	*	*			trans	-148.9	123.6	146.4	-89.2	-14.5	0	0	0	113.8
1862	S	39.4	Very low	40.4	Very low	102 Å²	102	167.5 Å²	167.5	71%	0.713	76%	0.757	S	S	*	*			trans	177.1	120.9	158.5	-159.2	0	0	0	0	113.1	R1860	R1860-S1862 PolarHBondContact O-N 3.38Å
1863	R	41.6	Very low	40.6	Very low	229 Å²	229	169.6 Å²	169.6	86%	0.864	77%	0.765	S	S	*	*				70.2	109.3	128	-87.8	179.7	-176.6	174.2	1.7	113.6
1864	K	41.4	Very low	40.7	Very low	178 Å²	178	169.9 Å²	169.9	77%	0.774	76%	0.764	S	S	*	*				140.1	137.6	128.8	-92.4	176	178.8	-174	0	112.2
1865	H	43.9	Very low	40.7	Very low	153 Å²	153	172.2 Å²	172.2	71%	0.708	77%	0.77	S	S	*	*				138.5	141.7	122	-77.5	-92.9	0	0	0	115.7
1866	H	40.9	Very low	40.8	Very low	153.25 Å²	153.25	173.6 Å²	173.6	71%	0.709	78%	0.777	S	S	*	*			trans	-4.5	124.3	136	-110.9	45.6	0	0	0	116.7
1867	R	42.5	Very low	40.8	Very low	215 Å²	215	166 Å²	166	81%	0.811	77%	0.767	S	S	*	*			trans	169.5	116	134.7	-86	173.1	177.5	174.4	-3.3	113.8	H1869	R1867-H1869 PolarHBondContact O-N 3.29Å
1868	R	41.2	Very low	40.9	Very low	234.75 Å²	234.75	169.3 Å²	169.3	89%	0.886	77%	0.769	S	S	*	*				122.6	105.6	90.8	-74.7	163.2	-179.8	-174.6	0.1	113.3	C1870	R1868-C1870 PolarHBondContact O-N 2.86Å
1869	H	41.6	Very low	40.9	Very low	155 Å²	155	173.1 Å²	173.1	72%	0.718	78%	0.776	S	S	*	*			trans	137.1	112.9	154.2	-106.1	-63.4	0	0	0	112.1	R1867	R1867-H1869 PolarHBondContact O-N 3.29Å
1870	C	41.7	Very low	41	Very low	117 Å²	117	173.8 Å²	173.8	79%	0.791	78%	0.777	S	S	*	*				-131.9	137.9	77.9	-77.9	0	0	0	0	110.6	R1868	R1868-C1870 PolarHBondContact O-N 2.86Å
1871	R	44.3	Very low	41	Very low	210.75 Å²	210.75	174.8 Å²	174.8	80%	0.795	78%	0.781	S	S	*	*				122.5	109.7	81.1	-79.9	179.4	177.2	-171.5	-1.1	112.2
1872	Y	41.2	Very low	41	Very low	200 Å²	200	174.4 Å²	174.4	78%	0.784	78%	0.779	S	S	*	*			trans	-94.9	133	149.7	-73.5	-90.7	0	0	0	116.1
1873	R	42.5	Very low	40.9	Very low	222.5 Å²	222.5	172.8 Å²	172.8	84%	0.84	78%	0.779	S	S	*	*				-179.1	130.4	76.1	-106.5	178.3	-176.4	-178.5	-0	110.8
1874	K	40.6	Very low	40.9	Very low	170 Å²	170	170 Å²	170	74%	0.739	78%	0.776	S	S	*	*				70	104.1	120.7	-92.7	-171.3	168.7	-165.1	0	115.1	H1876	K1874-H1876 WeakPolarHBondContact CD-NE2 3.4Å; K1874-H1876 VanDerWaalsContact CE-NE2 3.28Å; K1874-H1876 WeakPolarHBondContact CE-NE2 3.26Å; K1874-H1876 PolarHBondContact NZ-NE2 3.05Å
1875	H	40.1	Very low	40.8	Very low	176.5 Å²	176.5	166.1 Å²	166.1	82%	0.817	77%	0.771	S	S	*	*			trans	-132.5	125	143.4	-81.1	-73.2	0	0	0	108.3
1876	H	41.1	Very low	40.6	Very low	175.25 Å²	175.25	165.2 Å²	165.2	81%	0.811	77%	0.771	S	S	*	*			trans	-131.3	146.3	162.7	-65	-80.6	0	0	0	108.6	K1874	K1874-H1876 WeakPolarHBondContact CD-NE2 3.4Å; K1874-H1876 VanDerWaalsContact CE-NE2 3.28Å; K1874-H1876 WeakPolarHBondContact CE-NE2 3.26Å; K1874-H1876 PolarHBondContact NZ-NE2 3.05Å
1877	G	37	Very low	40.5	Very low	60.5 Å²	60.5	165.8 Å²	165.8	62%	0.624	77%	0.774	S	S	*	*			cis	100.4	122.1	43.2	0	0	0	0	0	111.7
1878	H	40.1	Very low	40.2	Very low	183 Å²	183	163.3 Å²	163.3	85%	0.847	77%	0.772	S	S	*	*				135.4	159.3	102	-90.1	-92.6	0	0	0	113.5	K1880	H1878-K1880 PolarHBondContact O-N 3.36Å
1879	H	39.3	Very low	40.1	Very low	171.5 Å²	171.5	158.9 Å²	158.9	79%	0.794	76%	0.764	S	S	*	*			trans	-107.6	130.9	-169	-85.5	-78.4	0	0	0	110.3
1880	K	39.3	Very low	39.9	Very low	165.25 Å²	165.25	156.8 Å²	156.8	72%	0.718	77%	0.767	S	S	*	*			trans	74.7	133.2	133.9	-93.7	175.9	-179.1	179.4	0	114.2	H1878	H1878-K1880 PolarHBondContact O-N 3.36Å
1881	R	39.4	Very low	39.7	Very low	217.25 Å²	217.25	154.3 Å²	154.3	82%	0.82	76%	0.76	S	S	*	*				91.5	123.3	90.5	-76.1	-179.6	-177.6	-160	0.6	113.4
1882	H	41.3	Very low	39.2	Very low	173.5 Å²	173.5	150.3 Å²	150.3	80%	0.803	76%	0.76	S	S	*	*				-73.1	155.6	128	-73.6	-91.3	0	0	0	112.2	E1884	H1882-E1884 IonicContact ND1-OE1 3.42Å; H1882-E1884 PolarHBondContact ND1-OE1 2.94Å; H1882-E1884 VanDerWaalsContact ND1-OE1 3.1Å; H1882-E1884 IonicContact ND1-OE2 3.77Å
1883	G	38.8	Very low	39.1	Very low	67.75 Å²	67.75	147.7 Å²	147.7	70%	0.698	76%	0.758	S	S	*	*				-172.1	139.3	88.9	0	0	0	0	0	107.9
1884	E	41.6	Very low	38.7	Very low	170.75 Å²	170.75	143.5 Å²	143.5	80%	0.798	75%	0.752	S	S	*	*				-136.7	139.3	90.6	-79.4	143.6	173.7	0	0	107.6	H1882	H1882-E1884 IonicContact ND1-OE1 3.42Å; H1882-E1884 PolarHBondContact ND1-OE1 2.94Å; H1882-E1884 VanDerWaalsContact ND1-OE1 3.1Å; H1882-E1884 IonicContact ND1-OE2 3.77Å
1885	S	39	Very low	38.5	Very low	95.5 Å²	95.5	142.7 Å²	142.7	67%	0.668	76%	0.755	S	S	*	*				83.3	118.6	111.6	75.6	0	0	0	0	114.3
1886	N	38.3	Very low	38.4	Very low	135 Å²	135	138.9 Å²	138.9	72%	0.722	76%	0.755	S	S	*	*				99.8	146.7	100.3	-60.4	-17	0	0	0	112.3
1887	Q	40	Very low	38.1	Very low	164.75 Å²	164.75	133.6 Å²	133.6	77%	0.77	75%	0.747	S	S	*	*			cis	-162.2	148.7	38	-96.1	166.2	-30	0	0	107.6
1888	E	36.3	Very low	38.2	Very low	162.5 Å²	162.5	139.6 Å²	139.6	76%	0.759	76%	0.759	S	S	*	*				24	143.4	117.4	-85.7	154.6	-166.6	0	0	111.7
1889	I	39.2	Very low	38	Very low	143.25 Å²	143.25	135.5 Å²	135.5	74%	0.735	75%	0.751	S	S	*	*				138.6	127.4	63.3	-69.7	164	0	0	0	111.2	R1047	R1047-I1889 PolarHBondContact NH1-O 3.38Å; R1047-I1889 PolarHBondContact NH2-O 2.93Å
1890	S	36.5	Very low	38.1	Very low	111.25 Å²	111.25	135.5 Å²	135.5	78%	0.778	76%	0.755	S	S	*	*			trans	54.1	148.2	149.5	-52.4	0	0	0	0	116.5	R1047	R1047-S1890 PolarHBondContact NH1-O 3.15Å; R1047-S1890 PolarHBondContact NH2-O 3.46Å; R1047-S1890 VanDerWaalsContact NH2-O 3.11Å
1891	G	37.1	Very low	37.9	Very low	62.75 Å²	62.75	130.7 Å²	130.7	65%	0.647	75%	0.753	S	S	*	*			cis	-160.8	176.7	-5.9	0	0	0	0	0	109.8
1892	T	34.9	Very low	37.7	Very low	127.5 Å²	127.5	125.9 Å²	125.9	78%	0.782	75%	0.753	S	S	*	*				-156.2	151	52.6	8.2	0	0	0	0	111.4
1893	I	38.7	Very low	37.4	Very low	145.5 Å²	145.5	122.6 Å²	122.6	75%	0.746	75%	0.749	S	S	*	*			trans	105.6	126.4	143.4	-71.3	157.2	0	0	0	114.1
1894	N	34	Very low	37.2	Very low	133.75 Å²	133.75	124.3 Å²	124.3	72%	0.715	75%	0.75	S	S	*	*			trans	86.2	153.6	139.2	-78.4	-4.1	0	0	0	116.1
1895	L	37	Very low	36.8	Very low	154.5 Å²	154.5	120.7 Å²	120.7	81%	0.809	74%	0.744	S	S	*	*			cis	-165.2	162	-11.7	-100.4	123	0	0	0	112.7
1896	A	36.9	Very low	36.6	Very low	96.75 Å²	96.75	121.7 Å²	121.7	80%	0.8	75%	0.746	S	S	*	*			trans	73.6	166.2	149.9	0	0	0	0	0	116.6
1897	G	35.9	Very low	36.4	Very low	63.25 Å²	63.25	120.4 Å²	120.4	65%	0.652	74%	0.744	S	S	*	*			cis	123.4	130.4	-2.4	0	0	0	0	0	112.8
1898	E	37.9	Very low	36.3	Very low	186.5 Å²	186.5	119.4 Å²	119.4	87%	0.871	74%	0.744	S	S	*	*				74.1	157.4	96	-52.4	176.4	-149.8	0	0	114.1
1899	S	36.5	Very low	36.1	Very low	96.75 Å²	96.75	118.6 Å²	118.6	68%	0.677	74%	0.744	S	S	*	*			cis	-159.7	158.2	-12.3	-129.6	0	0	0	0	113.6
1900	L	40.7	Very low	35.9	Very low	171 Å²	171	116.2 Å²	116.2	90%	0.895	74%	0.739	S	S	*	*			trans	7.9	159.8	148.6	-60.7	166.6	0	0	0	115.5
1901	G	35.7	Very low	35.8	Very low	64.5 Å²	64.5	119.4 Å²	119.4	67%	0.665	74%	0.742	S	S	*	*			cis	136.8	150.6	7.3	0	0	0	0	0	111.6
1902	S	36.1	Very low	35.7	Very low	116.25 Å²	116.25	121.5 Å²	121.5	81%	0.813	75%	0.746	S	S	*	*			trans	64.4	132.4	144.4	-61.6	0	0	0	0	118.6
1903	S	34.9	Very low	35.7	Very low	104.25 Å²	104.25	118.2 Å²	118.2	73%	0.729	74%	0.738	S	S	*	*			cis	129.7	150.7	31.2	-77.1	0	0	0	0	115.5
1904	S	33.2	Very low	35.6	Very low	104.25 Å²	104.25	118.8 Å²	118.8	73%	0.729	74%	0.74	S	S	*	*			trans	49.6	134.9	139.7	68.1	0	0	0	0	121.2
1905	S	34.6	Very low	35.6	Very low	94.25 Å²	94.25	116.3 Å²	116.3	66%	0.659	73%	0.734	S	S	*	*			cis	128.7	167.4	43.1	54.7	0	0	0	0	114.4
1906	T	34.4	Very low	35.4	Very low	116.5 Å²	116.5	117.8 Å²	117.8	72%	0.715	74%	0.737	S	S	*	*			trans	83.6	136.7	142.6	42.8	0	0	0	0	116.8
1907	T	34.5	Very low	35.3	Very low	109 Å²	109	117.4 Å²	117.4	67%	0.669	73%	0.733	S	S	*	*				138.4	152.5	62	34	0	0	0	0	116.3
1908	N	36.6	Very low	35.1	Very low	143.75 Å²	143.75	119.7 Å²	119.7	77%	0.769	74%	0.739	S	S	*	*			trans	71.6	132.3	157	-53.9	-18.7	0	0	0	116.4
1909	N	33.5	Very low	34.9	Very low	144.5 Å²	144.5	116 Å²	116	77%	0.773	73%	0.734	S	S	*	*			cis	-169.1	158	16.2	-146.4	10.5	0	0	0	111
1910	C	33.3	Very low	34.6	Very low	92.75 Å²	92.75	116.6 Å²	116.6	63%	0.627	74%	0.738	S	S	*	*			trans	61.4	132.7	152.7	-60.6	0	0	0	0	116.5
1911	H	35	Very low	34.2	Very low	179.5 Å²	179.5	113.6 Å²	113.6	83%	0.831	73%	0.731	S	S	*	*				84.6	139.9	111.6	-80.6	-15.2	0	0	0	115.2
1912	S	35.7	Very low	34.1	Very low	107.25 Å²	107.25	116.2 Å²	116.2	75%	0.75	74%	0.739	S	S	*	*			cis	-169.1	150.4	-19.5	-91.5	0	0	0	0	107.6
1913	G	34.6	Very low	33.9	Very low	57.75 Å²	57.75	114.1 Å²	114.1	60%	0.595	74%	0.736	S	S	*	*				114.6	161	95.4	0	0	0	0	0	110.6	N2184 N2185	G1913-N2184 CarbonylContact C-O 2.81Å; G1913-N2184 CarbonylContact O-C 3.23Å; G1913-N2185 CarbonylContact C-O 3.3Å; G1913-N2185 CarbonylContact O-C 2.81Å; G1913-N2185 VanDerWaalsContact O-CA 3.26Å; G1913-N2185 WeakPolarHBondContact O-CA 3.06Å; G1913-N2185 PolarHBondContact O-ND2 2.87Å
1914	I	36.6	Very low	34	Very low	157.5 Å²	157.5	117 Å²	117	81%	0.808	74%	0.742	S	S	*	*			trans	119.7	140.2	-160.2	56.9	167.4	0	0	0	115.2	N2184 N2185 N2186	I1914-N2184 VanDerWaalsContact N-C 3.31Å; I1914-N2184 PolarHBondContact N-O 3.3Å; I1914-N2184 CarbonylContact O-C 3.57Å; I1914-N2184 WeakPolarHBondContact O-CA 3.44Å; I1914-N2185 PolarHBondContact O-N 2.79Å; I1914-N2186 WeakPolarHBondContact CA-O 3.32Å
1915	S	34.1	Very low	34.2	Very low	82.25 Å²	82.25	118.2 Å²	118.2	58%	0.575	75%	0.746	S	S	*	*			cis	172.5	172.6	28.4	-80.7	0	0	0	0	113.6	N2186	S1915-N2186 VanDerWaalsContact OG-C 3.28Å; S1915-N2186 WeakPolarHBondContact OG-CA 3.43Å; S1915-N2186 PolarHBondContact OG-N 3.21Å; S1915-N2186 VanDerWaalsContact OG-N 3.14Å
1916	E	33.1	Very low	34.3	Very low	185.75 Å²	185.75	119.7 Å²	119.7	87%	0.868	75%	0.751	S	S	*	*			trans	66.3	158.2	138.5	-68.5	167.4	-152.2	0	0	118.6
1917	A	34.4	Very low	34.5	Very low	87 Å²	87	120 Å²	120	72%	0.719	75%	0.752	S	S	*	*				138.8	143.5	-107.7	0	0	0	0	0	114.9
1918	S	31.9	Very low	34.6	Very low	112 Å²	112	119.4 Å²	119.4	78%	0.783	75%	0.752	S	S	*	*				48.3	127.9	127.4	-39.9	0	0	0	0	117.9
1919	S	32.6	Very low	34.7	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	75%	0.75	S	S	*	*				141.5	126.6	114.3	-37.8	0	0	0	0	117.4
1920	S	31.6	Very low	34.9	Very low	109.25 Å²	109.25	122.1 Å²	122.1	76%	0.764	75%	0.749	S	S	*	*			trans	26.1	136.4	145.9	-38.4	0	0	0	0	117.6
1921	S	31.9	Very low	35.1	Very low	107.25 Å²	107.25	127.2 Å²	127.2	75%	0.75	76%	0.755	S	S	*	*				122.6	136.9	89.8	65.6	0	0	0	0	112.4
1922	S	33.8	Very low	35.3	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	75%	0.753	S	S	*	*				126.2	127.6	86.2	33.9	0	0	0	0	113.2
1923	G	32.1	Very low	35.4	Very low	71.5 Å²	71.5	134.5 Å²	134.5	74%	0.737	76%	0.759	S	S	*	*			trans	-164.9	127.3	174.3	0	0	0	0	0	112.9
1924	L	36.2	Very low	35.5	Very low	166.25 Å²	166.25	136.5 Å²	136.5	87%	0.87	76%	0.763	S	S	*	*				-154.1	129	110.7	-79.1	175.2	0	0	0	109.7
1925	T	36.9	Very low	35.7	Very low	129.5 Å²	129.5	140 Å²	140	79%	0.794	77%	0.767	S	S	*	*			trans	-128.3	159.1	153.6	55.4	0	0	0	0	112.4
1926	T	38.2	Very low	35.8	Very low	125.25 Å²	125.25	141.8 Å²	141.8	77%	0.768	77%	0.774	S	S	*	*				-145.3	143.9	81.7	26.6	0	0	0	0	111.6
1927	V	37.4	Very low	36	Very low	123.5 Å²	123.5	144.3 Å²	144.3	75%	0.748	78%	0.776	S	S	*	*			trans	53.3	119.8	139.9	-153.7	0	0	0	0	118.9	Y1929	V1927-Y1929 HydrophobicContact CG1-CE2 4.33Å
1928	S	37.4	Very low	36	Very low	95.25 Å²	95.25	144.9 Å²	144.9	67%	0.666	78%	0.775	S	S	*	*				172.3	130.8	123.6	-94.5	0	0	0	0	116.1
1929	Y	37.4	Very low	36.5	Very low	183.5 Å²	183.5	146.8 Å²	146.8	72%	0.72	78%	0.775	S	S	*	*				73.6	134.6	124.6	-71.8	-67.5	0	0	0	122.3	M1094 V1927	M1094-Y1929 HydrophobicContact CE-CD1 4.29Å; M1094-Y1929 HydrophobicContact CE-CE1 3.47Å; M1094-Y1929 VanDerWaalsContact CE-CE1 3.47Å; M1094-Y1929 HydrophobicContact SD-CE1 3.9Å; V1927-Y1929 HydrophobicContact CG1-CE2 4.33Å
1930	H	38.8	Very low	36.9	Very low	161.5 Å²	161.5	146.3 Å²	146.3	75%	0.748	77%	0.767	S	S	*	*			trans	96.4	124	136.1	-77.7	-24.8	0	0	0	119.7
1931	R	37.3	Very low	37.3	Very low	199.5 Å²	199.5	147.1 Å²	147.1	75%	0.753	76%	0.763	S	S	*	*			cis	131.2	107.6	40.7	-170.5	-169.1	-162.6	-173.8	7	115
1932	R	39	Very low	37.8	Very low	211.5 Å²	211.5	149.5 Å²	149.5	80%	0.798	76%	0.762	S	S	*	*			trans	113.4	123.9	140.4	-81.4	171.2	-175.2	-167	1.8	116.9
1933	R	38.8	Very low	38.2	Very low	229 Å²	229	150.3 Å²	150.3	86%	0.864	76%	0.757	S	S	*	*				89.2	127.3	112.2	-90.8	-173.2	172.7	177.7	-3	118
1934	S	36.9	Very low	38.5	Very low	99.75 Å²	99.75	152 Å²	152	70%	0.698	76%	0.757	S	S	*	*				145.6	146.5	64.4	-56.7	0	0	0	0	116.9
1935	R	40	Very low	38.8	Very low	232.25 Å²	232.25	150.2 Å²	150.2	88%	0.876	75%	0.752	S	S	*	*			trans	83.8	112.1	138.5	-81	-177.7	167.5	155.5	-4.4	118.5
1936	T	36.2	Very low	39.1	Very low	120 Å²	120	150.3 Å²	150.3	74%	0.736	75%	0.753	S	S	*	*				53.8	135.8	97.1	43	0	0	0	0	116.5
1937	R	38.2	Very low	39	Very low	236.75 Å²	236.75	150.3 Å²	150.3	89%	0.893	76%	0.758	S	S	*	*				130.4	142.6	127	-80.6	-176.9	179.7	-128.5	-1.2	111.8
1938	S	33	Very low	39	Very low	101.25 Å²	101.25	147.6 Å²	147.6	71%	0.708	76%	0.755	S	S	*	*			cis	-155.4	147.5	45	54.4	0	0	0	0	113.1
1939	I	42.3	Very low	39	Very low	152 Å²	152	148.1 Å²	148.1	78%	0.779	76%	0.759	S	S	*	*			trans	-163.4	156.6	133.7	-99.8	163	0	0	0	111.1	S2172	I1939-S2172 PolarHBondContact O-OG 3.2Å; I1939-S2172 VanDerWaalsContact O-OG 3.11Å
1940	T	41.5	Very low	39	Very low	99.5 Å²	99.5	150.3 Å²	150.3	61%	0.61	77%	0.766	S	S	*	*			trans	-102.4	158.1	-162.7	52.9	0	0	0	0	113.5	S2172 T2173	T1940-S2172 PolarHBondContact N-OG 3.42Å; T1940-S2172 VanDerWaalsContact N-OG 3.14Å; T1940-S2172 CarbonylContact O-C 3.53Å; T1940-S2172 VanDerWaalsContact O-CA 3.26Å; T1940-S2172 WeakPolarHBondContact O-CA 3.39Å; T1940-S2172 PolarHBondContact O-OG 3.5Å; T1940-T2173 PolarHBondContact O-N 3.26Å; T1940-T2173 VanDerWaalsContact O-N 3.07Å
1941	D	40.3	Very low	38.9	Very low	124.25 Å²	124.25	154.1 Å²	154.1	66%	0.664	77%	0.774	S	S	*	*			trans	167.2	141.5	141.1	-72	-30.1	0	0	0	108.9	S2172 T2173	D1941-S2172 CarbonylContact O-C 3.21Å; D1941-S2172 WeakPolarHBondContact O-CA 3.22Å; D1941-S2172 PolarHBondContact O-N 3.41Å; D1941-T2173 CarbonylContact C-O 3.22Å; D1941-T2173 WeakPolarHBondContact CB-O 3.11Å; D1941-T2173 PolarHBondContact O-N 2.73Å
1942	E	43.1	Very low	39	Very low	158.25 Å²	158.25	149.9 Å²	149.9	74%	0.739	78%	0.775	S	S	*	*			cis	87.5	143.3	-0	-64.4	-57.9	154.9	0	0	117.4	L2171	E1942-L2171 WeakPolarHBondContact OE2-CD2 3.47Å
1943	D	40.7	Very low	39.1	Very low	135.75 Å²	135.75	145.3 Å²	145.3	73%	0.726	78%	0.775	S	S	*	*			trans	77.8	119.8	159.3	-100.4	-27.7	0	0	0	119.8
1944	C	39.9	Very low	39.4	Very low	108.5 Å²	108.5	140.3 Å²	140.3	73%	0.733	77%	0.773	S	S	*	*			trans	5.9	134.2	138.7	-81.4	0	0	0	0	119
1945	T	41	Very low	40.1	Very low	126.5 Å²	126.5	143.4 Å²	143.4	78%	0.776	78%	0.78	S	S	*	*				-140.9	140.6	117.1	47.7	0	0	0	0	115.8
1946	T	43.1	Very low	40.9	Very low	133.25 Å²	133.25	137.5 Å²	137.5	82%	0.817	77%	0.772	S	S	*	*				122.7	124.5	128.3	-51.7	0	0	0	0	115.5
1947	S	37.6	Very low	42	Very low	123.75 Å²	123.75	137.7 Å²	137.7	87%	0.865	78%	0.776	S	S	*	*			trans	-98.6	144.8	161.4	-62.6	0	0	0	0	114.8
1948	G	36.5	Very low	42.7	Very low	67.25 Å²	67.25	130 Å²	130	69%	0.693	76%	0.763	S	S	*	*			trans	161.7	104.1	168.4	0	0	0	0	0	115.1	P2726	G1948-P2726 CarbonylContact C-O 3.48Å; G1948-P2726 WeakPolarHBondContact O-CD 3.48Å
1949	S	37	Very low	43.9	Very low	105.5 Å²	105.5	130 Å²	130	74%	0.738	76%	0.76	S	S	*	*			trans	67.3	123.3	157.4	-165.8	0	0	0	0	117.1	L2725 P2726	S1949-L2725 CarbonylContact O-C 3.43Å; S1949-L2725 VanDerWaalsContact O-CA 3.3Å; S1949-L2725 WeakPolarHBondContact O-CA 3.43Å; S1949-L2725 WeakPolarHBondContact O-CB 3.14Å; S1949-L2725 VanDerWaalsContact O-CD2 3.28Å; S1949-L2725 WeakPolarHBondContact O-CD2 3.34Å; S1949-L2725 WeakPolarHBondContact OG-CD2 3.32Å; S1949-P2726 VanDerWaalsContact C-C 3.5Å; S1949-P2726 CarbonylContact C-O 2.98Å; S1949-P2726 WeakPolarHBondContact CA-O 3.36Å; S1949-P2726 PolarHBondContact N-O 2.9Å; S1949-P2726 CarbonylContact O-C 3.56Å; S1949-P2726 VanDerWaalsContact O-CA 3.31Å; S1949-P2726 WeakPolarHBondContact O-CA 3.44Å
1950	R	37.7	Very low	44.5	Very low	231.25 Å²	231.25	127.8 Å²	127.8	87%	0.873	75%	0.754	S	S	*	*			trans	-167.6	128.7	156.2	-73.5	-179.9	-174.2	-131.6	-0.3	114.9	S1952 L2725	R1950-S1952 PolarHBondContact O-N 3.35Å; R1950-L2725 HydrophobicContact CB-CD1 3.99Å; R1950-L2725 HydrophobicContact CB-CD2 3.95Å
1951	R	36.3	Very low	45.2	Very low	239.5 Å²	239.5	128.6 Å²	128.6	90%	0.904	75%	0.753	S	S	*	*			trans	1.1	109.4	165.7	-83.6	-178.3	176.7	-155.2	-2.3	116.4	L2725	R1951-L2725 HydrophobicContact CB-CD1 3.68Å; R1951-L2725 HydrophobicContact CG-CD1 3.45Å; R1951-L2725 VanDerWaalsContact CG-CD1 3.45Å
1952	S	39.1	Very low	45.8	Very low	111.25 Å²	111.25	129.5 Å²	129.5	78%	0.778	76%	0.757	S	S	*	*			trans	-117.1	137.7	146.7	36.4	0	0	0	0	112.7	R1950	R1950-S1952 PolarHBondContact O-N 3.35Å
1953	S	41.8	Very low	46.4	Very low	114.75 Å²	114.75	126 Å²	126	80%	0.802	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-85.4	135.2	175.3	-32.6	0	0	0	0	112.6	L1955	S1953-L1955 PolarHBondContact O-N 3.12Å
1954	P	46.3	Very low	47.1	Very low	125 Å²	125	125.6 Å²	125.6	81%	0.812	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-74.6	131.6	170.8	30.6	-32.5	0	0	0	110.4
1955	L	51	Low	47.5	Very low	164.25 Å²	164.25	127.2 Å²	127.2	86%	0.86	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-68.8	145.6	168.4	-75.8	163.6	0	0	0	110	S1953	S1953-L1955 PolarHBondContact O-N 3.12Å
1956	P	56.4	Low	48.3	Very low	108.75 Å²	108.75	124.5 Å²	124.5	71%	0.706	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-69.4	149.1	-173.3	28.8	-35.2	0	0	0	111.8	A1958	P1956-A1958 PolarHBondContact O-N 2.81Å
1957	P	59	Low	49	Very low	124.75 Å²	124.75	125.6 Å²	125.6	81%	0.81	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-62	135.4	173.9	15.7	-18.9	0	0	0	110.7
1958	A	54	Low	50	Low	75.25 Å²	75.25	128.3 Å²	128.3	62%	0.622	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-63.5	143	172.8	0	0	0	0	0	110.3	P1956 T1960	P1956-A1958 PolarHBondContact O-N 2.81Å; A1958-T1960 PolarHBondContact O-N 2.86Å; A1958-T1960 VanDerWaalsContact O-N 3.09Å
1959	P	57	Low	51.2	Low	101.5 Å²	101.5	129.3 Å²	129.3	66%	0.659	74%	0.738	S	S	*	*			trans	-65.5	106.9	-179.9	25.7	-33.2	0	0	0	110.6	I1961 V1977	P1959-I1961 PolarHBondContact O-N 3.17Å; P1959-V1977 HydrophobicContact CB-CG1 3.39Å
1960	T	54.5	Low	52.9	Low	105 Å²	105	128.4 Å²	128.4	64%	0.644	73%	0.725	S	S	*	*			trans	-73.5	112.6	169.5	-55.6	0	0	0	0	108.6	A1958 L1962	A1958-T1960 PolarHBondContact O-N 2.86Å; A1958-T1960 VanDerWaalsContact O-N 3.09Å; T1960-L1962 VanDerWaalsContact C-N 3.33Å; T1960-L1962 HydrophobicContact CG2-CD2 4.24Å; T1960-L1962 HydrophobicContact CG2-CG 4.27Å; T1960-L1962 PolarHBondContact O-N 2.91Å
1961	I	56.8	Low	54.5	Low	115.75 Å²	115.75	123.9 Å²	123.9	59%	0.594	71%	0.714	S	S	*	*			trans	-80.4	101.4	171.5	-55.4	179	0	0	0	107.7	P1959 C1963 T1969 L1974 V1977	P1959-I1961 PolarHBondContact O-N 3.17Å; I1961-C1963 VanDerWaalsContact C-N 3.3Å; I1961-C1963 PolarHBondContact O-N 3.04Å; I1961-T1969 HydrophobicContact CG2-CG2 4.22Å; I1961-L1974 HydrophobicContact CD1-CD2 3.67Å; I1961-V1977 HydrophobicContact CD1-CG1 4.27Å; I1961-V1977 HydrophobicContact CG1-CG1 4.05Å
1962	L	53.9	Low	56.2	Low	143.5 Å²	143.5	118.5 Å²	118.5	75%	0.751	70%	0.702	S	S	*	*			trans	-78.6	90.3	170.5	-91.8	150.4	0	0	0	108.4	T1960 N1964	T1960-L1962 VanDerWaalsContact C-N 3.33Å; T1960-L1962 HydrophobicContact CG2-CD2 4.24Å; T1960-L1962 HydrophobicContact CG2-CG 4.27Å; T1960-L1962 PolarHBondContact O-N 2.91Å; L1962-N1964 PolarHBondContact O-N 3.13Å
1963	C	54.3	Low	57.8	Low	84.75 Å²	84.75	116 Å²	116	57%	0.573	69%	0.685	S	S	*	*			trans	-69.1	117	169.4	-65.3	0	0	0	0	108.9	I1961 V1965	I1961-C1963 VanDerWaalsContact C-N 3.3Å; I1961-C1963 PolarHBondContact O-N 3.04Å; C1963-V1965 PolarHBondContact O-N 3.02Å; C1963-V1965 VanDerWaalsContact O-N 3.13Å
1964	N	55.6	Low	59.2	Low	126.75 Å²	126.75	114.6 Å²	114.6	68%	0.678	67%	0.668	S	S	*	*			trans	-62.4	136.4	175.1	-81	-15.1	0	0	0	110.4	L1962 G1966 Q1967	L1962-N1964 PolarHBondContact O-N 3.13Å; N1964-G1966 PolarHBondContact O-N 3.16Å; N1964-Q1967 HydrophobicContact CB-CB 4.36Å; N1964-Q1967 PolarHBondContact O-N 3.35Å
1965	V	49	Very low	60.3	Low	143.5 Å²	143.5	111.6 Å²	111.6	87%	0.87	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	104.9	174.3	-175.8	0	0	0	0	108.5	C1963	C1963-V1965 PolarHBondContact O-N 3.02Å; C1963-V1965 VanDerWaalsContact O-N 3.13Å
1966	G	56.9	Low	61.4	Low	69.75 Å²	69.75	112.3 Å²	112.3	72%	0.719	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	134.8	-8.9	-177.2	0	0	0	0	0	116	N1964	N1964-G1966 PolarHBondContact O-N 3.16Å
1967	Q	58.6	Low	62.1	Low	155 Å²	155	112.6 Å²	112.6	72%	0.724	64%	0.64	S	S	*	*			trans	-98.7	113.9	174.4	-92.8	-177.1	-16.9	0	0	111.9	N1964 T1969	N1964-Q1967 HydrophobicContact CB-CB 4.36Å; N1964-Q1967 PolarHBondContact O-N 3.35Å; Q1967-T1969 PolarHBondContact O-N 3.07Å; Q1967-T1969 VanDerWaalsContact O-N 3.12Å
1968	Q	58.6	Low	62.6	Low	181.75 Å²	181.75	109.3 Å²	109.3	85%	0.849	62%	0.624	S	S	*	*			trans	-68.6	116.3	166.3	-93.8	176.3	-20.4	0	0	109.4	D1970	Q1968-D1970 PolarHBondContact O-N 3.04Å
1969	T	62.4	Low	62.8	Low	87.75 Å²	87.75	108.6 Å²	108.6	54%	0.538	62%	0.624	S	S	.	*			trans	-86.8	111.6	167	40.5	0	0	0	0	109.1	I1961 Q1967 E1971	I1961-T1969 HydrophobicContact CG2-CG2 4.22Å; Q1967-T1969 PolarHBondContact O-N 3.07Å; Q1967-T1969 VanDerWaalsContact O-N 3.12Å; T1969-E1971 PolarHBondContact O-N 3.2Å
1970	D	71.2	Confident	62.9	Low	86.25 Å²	86.25	108.8 Å²	108.8	46%	0.461	62%	0.619	S	S	.	*			trans	-58.3	134.8	169.9	149.7	-1.2	0	0	0	110.8	Q1968 L1972 S1973 L1974	Q1968-D1970 PolarHBondContact O-N 3.04Å; D1970-L1972 PolarHBondContact O-N 3.17Å; D1970-L1972 VanDerWaalsContact O-N 3.14Å; D1970-L1972 WeakPolarHBondContact OD1-CB 3.32Å; D1970-L1972 WeakPolarHBondContact OD1-CD1 3.45Å; D1970-L1972 PolarHBondContact OD1-N 3.2Å; D1970-L1972 VanDerWaalsContact OD2-CB 3.25Å; D1970-L1972 WeakPolarHBondContact OD2-CB 3.36Å; D1970-L1972 PolarHBondContact OD2-N 3.13Å; D1970-S1973 WeakPolarHBondContact O-CA 3.36Å; D1970-S1973 VanDerWaalsContact O-CB 3.28Å; D1970-S1973 WeakPolarHBondContact O-CB 3.21Å; D1970-S1973 PolarHBondContact O-N 3.31Å; D1970-S1973 WeakPolarHBondContact OD1-CB 2.98Å; D1970-S1973 PolarHBondContact OD1-OG 3Å; D1970-S1973 PolarHBondContact OD2-N 3.01Å; D1970-S1973 VanDerWaalsContact OD2-N 3.14Å; D1970-L1974 PolarHBondContact O-N 3.17Å
1971	E	72.4	Confident	62.8	Low	137.75 Å²	137.75	110.5 Å²	110.5	64%	0.644	63%	0.629	S	S	*	*	H	α-helix	trans	-60.6	-28.4	-178.7	-63.1	-143.4	169.9	0	0	112.4	T1969 S1973 L1974 L1975	T1969-E1971 PolarHBondContact O-N 3.2Å; E1971-S1973 VanDerWaalsContact C-N 3.25Å; E1971-S1973 PolarHBondContact O-N 3.17Å; E1971-L1974 PolarHBondContact O-N 3.12Å; E1971-L1974 VanDerWaalsContact O-N 3.09Å; E1971-L1975 WeakPolarHBondContact O-CB 3.31Å; E1971-L1975 VanDerWaalsContact O-CD1 3.24Å; E1971-L1975 WeakPolarHBondContact O-CD1 3.3Å; E1971-L1975 VanDerWaalsContact O-CG 3.26Å; E1971-L1975 WeakPolarHBondContact O-CG 2.83Å; E1971-L1975 PolarHBondContact O-N 2.91Å; E1971-L1975 VanDerWaalsContact O-N 3.16Å
1972	L	72	Confident	62.5	Low	125 Å²	125	111.3 Å²	111.3	65%	0.654	63%	0.633	S	S	*	*	H	α-helix	trans	-64	-32.8	173.1	-86.6	121.5	0	0	0	111.9	D1970 K1976	D1970-L1972 PolarHBondContact O-N 3.17Å; D1970-L1972 VanDerWaalsContact O-N 3.14Å; D1970-L1972 WeakPolarHBondContact OD1-CB 3.32Å; D1970-L1972 WeakPolarHBondContact OD1-CD1 3.45Å; D1970-L1972 PolarHBondContact OD1-N 3.2Å; D1970-L1972 VanDerWaalsContact OD2-CB 3.25Å; D1970-L1972 WeakPolarHBondContact OD2-CB 3.36Å; D1970-L1972 PolarHBondContact OD2-N 3.13Å; L1972-K1976 VanDerWaalsContact O-CB 3.3Å; L1972-K1976 WeakPolarHBondContact O-CB 3.3Å; L1972-K1976 PolarHBondContact O-N 3.11Å
1973	S	73.2	Confident	61.9	Low	59.75 Å²	59.75	109.9 Å²	109.9	42%	0.418	64%	0.636	S	S	.	*	H	α-helix	trans	-70.9	-35.9	174.4	-66	0	0	0	0	112.2	D1970 E1971 K1976 V1977	D1970-S1973 WeakPolarHBondContact O-CA 3.36Å; D1970-S1973 VanDerWaalsContact O-CB 3.28Å; D1970-S1973 WeakPolarHBondContact O-CB 3.21Å; D1970-S1973 PolarHBondContact O-N 3.31Å; D1970-S1973 WeakPolarHBondContact OD1-CB 2.98Å; D1970-S1973 PolarHBondContact OD1-OG 3Å; D1970-S1973 PolarHBondContact OD2-N 3.01Å; D1970-S1973 VanDerWaalsContact OD2-N 3.14Å; E1971-S1973 VanDerWaalsContact C-N 3.25Å; E1971-S1973 PolarHBondContact O-N 3.17Å; S1973-K1976 PolarHBondContact O-N 3.11Å; S1973-V1977 WeakPolarHBondContact O-CB 3.42Å; S1973-V1977 VanDerWaalsContact O-CG2 3.3Å; S1973-V1977 WeakPolarHBondContact O-CG2 3.44Å; S1973-V1977 PolarHBondContact O-N 2.92Å; S1973-V1977 VanDerWaalsContact O-N 3.07Å
1974	L	69.8	Low	61.4	Low	84.5 Å²	84.5	111 Å²	111	44%	0.442	64%	0.644	S	S	.	*	H	α-helix	trans	-66.3	-45	174.1	-77.6	164.8	0	0	0	111.6	I1961 D1970 E1971 K1976 V1977 A1978	I1961-L1974 HydrophobicContact CD1-CD2 3.67Å; D1970-L1974 PolarHBondContact O-N 3.17Å; E1971-L1974 PolarHBondContact O-N 3.12Å; E1971-L1974 VanDerWaalsContact O-N 3.09Å; L1974-K1976 VanDerWaalsContact C-N 3.31Å; L1974-K1976 PolarHBondContact O-N 3.04Å; L1974-V1977 PolarHBondContact O-N 3.24Å; L1974-A1978 VanDerWaalsContact O-CB 3.22Å; L1974-A1978 WeakPolarHBondContact O-CB 3.28Å; L1974-A1978 PolarHBondContact O-N 3.18Å
1975	L	70.3	Confident	60.8	Low	61.75 Å²	61.75	114.7 Å²	114.7	32%	0.323	65%	0.654	S	S	.	*	H	α-helix	trans	-61.4	-40.1	174.4	-82.9	121.4	0	0	0	112.4	E1971 V1977 A1978 G1979 L1980 I1982	E1971-L1975 WeakPolarHBondContact O-CB 3.31Å; E1971-L1975 VanDerWaalsContact O-CD1 3.24Å; E1971-L1975 WeakPolarHBondContact O-CD1 3.3Å; E1971-L1975 VanDerWaalsContact O-CG 3.26Å; E1971-L1975 WeakPolarHBondContact O-CG 2.83Å; E1971-L1975 PolarHBondContact O-N 2.91Å; E1971-L1975 VanDerWaalsContact O-N 3.16Å; L1975-V1977 VanDerWaalsContact C-N 3.33Å; L1975-V1977 PolarHBondContact O-N 2.99Å; L1975-A1978 PolarHBondContact O-N 3.03Å; L1975-A1978 VanDerWaalsContact O-N 3.14Å; L1975-G1979 PolarHBondContact O-N 3.38Å; L1975-L1980 HydrophobicContact CD2-CB 4.26Å; L1975-L1980 HydrophobicContact CD2-CD1 3.94Å; L1975-L1980 PolarHBondContact O-N 3Å; L1975-L1980 VanDerWaalsContact O-N 3.15Å; L1975-I1982 HydrophobicContact CD1-CD1 4.06Å; L1975-I1982 HydrophobicContact CD2-CD1 3.71Å; L1975-I1982 HydrophobicContact CD2-CG1 4.13Å
1976	K	73.3	Confident	60.3	Low	179 Å²	179	114.5 Å²	114.5	78%	0.778	65%	0.654	S	S	*	*	H	α-helix	trans	-67.7	-31.8	178.9	-164.9	169.9	-172.7	173.1	0	113	L1972 S1973 L1974	L1972-K1976 VanDerWaalsContact O-CB 3.3Å; L1972-K1976 WeakPolarHBondContact O-CB 3.3Å; L1972-K1976 PolarHBondContact O-N 3.11Å; S1973-K1976 PolarHBondContact O-N 3.11Å; L1974-K1976 VanDerWaalsContact C-N 3.31Å; L1974-K1976 PolarHBondContact O-N 3.04Å
1977	V	71.3	Confident	59.4	Low	114.75 Å²	114.75	114.7 Å²	114.7	70%	0.695	66%	0.655	S	S	*	*	H	α-helix	trans	-77.2	-31.2	171	171.1	0	0	0	0	111.8	P1959 I1961 S1973 L1974 L1975 G1979	P1959-V1977 HydrophobicContact CB-CG1 3.39Å; I1961-V1977 HydrophobicContact CD1-CG1 4.27Å; I1961-V1977 HydrophobicContact CG1-CG1 4.05Å; S1973-V1977 WeakPolarHBondContact O-CB 3.42Å; S1973-V1977 VanDerWaalsContact O-CG2 3.3Å; S1973-V1977 WeakPolarHBondContact O-CG2 3.44Å; S1973-V1977 PolarHBondContact O-N 2.92Å; S1973-V1977 VanDerWaalsContact O-N 3.07Å; L1974-V1977 PolarHBondContact O-N 3.24Å; L1975-V1977 VanDerWaalsContact C-N 3.33Å; L1975-V1977 PolarHBondContact O-N 2.99Å; V1977-G1979 PolarHBondContact O-N 3.09Å
1978	A	70.1	Confident	58.4	Low	56.5 Å²	56.5	111.8 Å²	111.8	47%	0.467	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.6	-2.3	176.6	0	0	0	0	0	114.6	L1974 L1975 L1980	L1974-A1978 VanDerWaalsContact O-CB 3.22Å; L1974-A1978 WeakPolarHBondContact O-CB 3.28Å; L1974-A1978 PolarHBondContact O-N 3.18Å; L1975-A1978 PolarHBondContact O-N 3.03Å; L1975-A1978 VanDerWaalsContact O-N 3.14Å; A1978-L1980 VanDerWaalsContact C-N 3.34Å; A1978-L1980 HydrophobicContact CB-CD1 4.32Å; A1978-L1980 HydrophobicContact CB-CG 4.37Å; A1978-L1980 PolarHBondContact O-N 3.34Å
1979	G	58.5	Low	57.4	Low	59.5 Å²	59.5	111 Å²	111	61%	0.613	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.3	10.4	179.6	0	0	0	0	0	114.9	L1975 V1977 T1981	L1975-G1979 PolarHBondContact O-N 3.38Å; V1977-G1979 PolarHBondContact O-N 3.09Å; G1979-T1981 PolarHBondContact O-N 3.31Å
1980	L	58.8	Low	56.3	Low	106.75 Å²	106.75	112.2 Å²	112.2	56%	0.559	67%	0.672	S	S	*	*			trans	-88.3	89.6	-177	-72.2	170	0	0	0	111.1	L1975 A1978 I1982	L1975-L1980 HydrophobicContact CD2-CB 4.26Å; L1975-L1980 HydrophobicContact CD2-CD1 3.94Å; L1975-L1980 PolarHBondContact O-N 3Å; L1975-L1980 VanDerWaalsContact O-N 3.15Å; A1978-L1980 VanDerWaalsContact C-N 3.34Å; A1978-L1980 HydrophobicContact CB-CD1 4.32Å; A1978-L1980 HydrophobicContact CB-CG 4.37Å; A1978-L1980 PolarHBondContact O-N 3.34Å; L1980-I1982 VanDerWaalsContact C-N 3.3Å; L1980-I1982 PolarHBondContact O-N 3.05Å; L1980-I1982 VanDerWaalsContact O-N 3.09Å
1981	T	52.1	Low	54.6	Low	139.75 Å²	139.75	117.1 Å²	117.1	86%	0.857	69%	0.692	S	S	*	*			trans	-78.6	82.4	174.8	46.7	0	0	0	0	111.8	G1979 S1983	G1979-T1981 PolarHBondContact O-N 3.31Å; T1981-S1983 PolarHBondContact O-N 3.28Å
1982	I	49.8	Very low	53	Low	132.25 Å²	132.25	116.2 Å²	116.2	68%	0.678	70%	0.7	S	S	*	*			trans	-73.3	111.8	170.1	-54.9	-179.1	0	0	0	108.9	L1975 L1980 S1984	L1975-I1982 HydrophobicContact CD1-CD1 4.06Å; L1975-I1982 HydrophobicContact CD2-CD1 3.71Å; L1975-I1982 HydrophobicContact CD2-CG1 4.13Å; L1980-I1982 VanDerWaalsContact C-N 3.3Å; L1980-I1982 PolarHBondContact O-N 3.05Å; L1980-I1982 VanDerWaalsContact O-N 3.09Å; I1982-S1984 PolarHBondContact O-N 3.38Å
1983	S	42.3	Very low	51.2	Low	115.25 Å²	115.25	114.4 Å²	114.4	81%	0.806	70%	0.704	S	S	*	*			trans	-86.2	104.6	178.1	-167.4	0	0	0	0	110.6	T1981 K1985	T1981-S1983 PolarHBondContact O-N 3.28Å; S1983-K1985 VanDerWaalsContact C-N 3.34Å; S1983-K1985 PolarHBondContact O-N 3.04Å
1984	S	43.2	Very low	49.8	Very low	106.75 Å²	106.75	121.1 Å²	121.1	75%	0.747	73%	0.725	S	S	*	*			trans	-79.6	104.3	176.7	26.4	0	0	0	0	111.3	I1982 T1986	I1982-S1984 PolarHBondContact O-N 3.38Å; S1984-T1986 VanDerWaalsContact C-N 3.32Å; S1984-T1986 PolarHBondContact O-N 2.94Å
1985	K	42	Very low	48.5	Very low	205.5 Å²	205.5	123.4 Å²	123.4	89%	0.893	74%	0.738	S	S	*	*			trans	-94.6	112.2	176.2	-168.2	179	179.8	-177.5	0	111	S1983	S1983-K1985 VanDerWaalsContact C-N 3.34Å; S1983-K1985 PolarHBondContact O-N 3.04Å
1986	T	39.9	Very low	47.1	Very low	140.25 Å²	140.25	126.5 Å²	126.5	86%	0.86	76%	0.755	S	S	*	*			trans	-93.5	139	-174.8	-14.5	0	0	0	0	112.2	S1984	S1984-T1986 VanDerWaalsContact C-N 3.32Å; S1984-T1986 PolarHBondContact O-N 2.94Å
1987	G	37.5	Very low	45.6	Very low	73.25 Å²	73.25	123.9 Å²	123.9	76%	0.755	75%	0.75	S	S	*	*			trans	175.4	119.9	169.7	0	0	0	0	0	115.4
1988	A	38.7	Very low	44.2	Very low	94.25 Å²	94.25	124.2 Å²	124.2	78%	0.779	75%	0.747	S	S	*	*			trans	131	134.6	140	0	0	0	0	0	115
1989	N	36.3	Very low	42.9	Very low	163.5 Å²	163.5	126.8 Å²	126.8	87%	0.874	75%	0.753	S	S	*	*			trans	-29.9	142.2	162.5	-50.2	-13.7	0	0	0	114.5
1990	S	38.6	Very low	42	Very low	113.75 Å²	113.75	129.8 Å²	129.8	80%	0.795	76%	0.755	S	S	*	*			trans	-156.3	129.1	147	29.2	0	0	0	0	110.2
1991	E	37.1	Very low	41.2	Very low	190.25 Å²	190.25	131.2 Å²	131.2	89%	0.889	76%	0.763	S	S	*	*			trans	-95	146	143.9	-84.3	173.4	116	0	0	112.9
1992	S	37.5	Very low	40.7	Very low	117.25 Å²	117.25	130.3 Å²	130.3	82%	0.82	76%	0.758	S	S	*	*				-166.4	132.6	126.8	132.7	0	0	0	0	113.1
1993	A	35.6	Very low	40.2	Very low	87.75 Å²	87.75	128.6 Å²	128.6	73%	0.725	76%	0.758	S	S	*	*			trans	-88.1	143.1	170.8	0	0	0	0	0	115.9
1994	K	43.4	Very low	40.1	Very low	201 Å²	201	131.1 Å²	131.1	87%	0.874	76%	0.756	S	S	*	*			trans	-175.2	126.5	151.9	-92.5	166.3	-175.6	174.6	0	111.4
1995	N	41.5	Very low	40	Very low	131.75 Å²	131.75	132 Å²	132	71%	0.705	75%	0.753	S	S	*	*				-178.9	138.9	95.3	-108.8	0.2	0	0	0	111.6
1996	N	40.8	Very low	40	Very low	128 Å²	128	129.9 Å²	129.9	68%	0.684	75%	0.746	S	S	*	*				75.2	150.2	128.6	-73.5	-8	0	0	0	117
1997	N	41.6	Very low	40	Very low	124.25 Å²	124.25	129.9 Å²	129.9	66%	0.664	74%	0.741	S	S	*	*			cis	172.5	146	4.6	-108.7	-4.4	0	0	0	113
1998	N	42.2	Very low	40.1	Very low	120.5 Å²	120.5	135.7 Å²	135.7	64%	0.644	74%	0.74	S	S	*	*			trans	62.9	130.5	141.2	-59.6	-4.3	0	0	0	120.2	S1543	S1543-N1998 WeakPolarHBondContact O-CB 2.95Å; S1543-N1998 PolarHBondContact O-ND2 3.31Å
1999	N	42.4	Very low	40.3	Very low	111 Å²	111	140.3 Å²	140.3	59%	0.594	74%	0.742	S	S	*	*			cis	171.1	130.7	45.3	-93.5	-20.7	0	0	0	115	N1541 V1542 S1543	N1541-N1999 PolarHBondContact O-OD1 2.83Å; V1542-N1999 VanDerWaalsContact C-CG 3.49Å; V1542-N1999 PolarHBondContact N-ND2 2.87Å; V1542-N1999 PolarHBondContact N-OD1 3.36Å; V1542-N1999 PolarHBondContact O-ND2 2.98Å; V1542-N1999 VanDerWaalsContact O-ND2 3.12Å; S1543-N1999 PolarHBondContact N-ND2 3.39Å; S1543-N1999 WeakPolarHBondContact O-CB 3.44Å; S1543-N1999 PolarHBondContact O-ND2 2.95Å
2000	N	40.6	Very low	40.3	Very low	123.25 Å²	123.25	137.3 Å²	137.3	66%	0.659	73%	0.734	S	S	*	*			trans	53.8	149.1	140.1	-58.7	0.5	0	0	0	120.6	Y1540 V1542	Y1540-N2000 WeakPolarHBondContact CB-ND2 3.39Å; V1542-N2000 HydrophobicContact CB-CB 4.36Å; V1542-N2000 HydrophobicContact CG2-CB 3.56Å; V1542-N2000 VanDerWaalsContact N-CG 3.31Å
2001	N	41.5	Very low	40.4	Very low	136.333 Å²	136.333	141.4 Å²	141.4	73%	0.729	73%	0.734	S	S	*	*			cis	171	136.7	37.5	-115.6	-2	0	0	0	115.5
2002	T	41.2	Very low	40.7	Very low	119.333 Å²	119.333	139 Å²	139	73%	0.732	73%	0.726	S	S	*	*			trans	53.4	113.1	139.4	17.3	0	0	0	0	121.6
2003	S	39.9	Very low	41	Very low	97 Å²	97	139.8 Å²	139.8	68%	0.678	72%	0.721	S	S	*	*				156	145.1	83.7	50.8	0	0	0	0	117.1
2004	H	41	Very low	41.6	Very low	169 Å²	169	140.8 Å²	140.8	78%	0.782	72%	0.723	S	S	*	*			trans	63.1	130.3	158.9	-70.7	-60.5	0	0	0	120.4
2005	N	40.2	Very low	41.6	Very low	124.667 Å²	124.667	139.6 Å²	139.6	67%	0.667	72%	0.72	S	S	*	*			cis	176.8	138.9	17.7	-120.4	34.5	0	0	0	114.7
2006	E	43.1	Very low	41.8	Very low	161 Å²	161	136.6 Å²	136.6	75%	0.752	72%	0.72	S	S	*	*			trans	23.5	122.5	152	-59.9	-169.7	169.3	0	0	118
2007	N	39.9	Very low	42.1	Very low	141.333 Å²	141.333	139.7 Å²	139.7	76%	0.756	73%	0.73	S	S	*	*				171.9	148.5	75.9	-113.6	-49.2	0	0	0	112.2
2008	R	39.4	Very low	43.4	Very low	195 Å²	195	145.7 Å²	145.7	74%	0.736	74%	0.744	S	S	*	*			trans	-74	143	162.2	-63.9	172.3	161.8	166.8	-10.1	113.3
2009	K	42.3	Very low	44.3	Very low	190.667 Å²	190.667	148.4 Å²	148.4	83%	0.829	75%	0.753	S	S	*	*				-177.3	115.1	98.9	-144.3	143.7	-179.8	-177.9	0	112.1
2010	S	37.5	Very low	44.9	Very low	100 Å²	100	152.1 Å²	152.1	70%	0.699	77%	0.766	S	S	*	*			trans	-152.8	155	131.4	64.2	0	0	0	0	110.7
2011	Y	39.9	Very low	45.9	Very low	201 Å²	201	151.8 Å²	151.8	79%	0.788	77%	0.769	S	S	*	*			trans	-163.3	141.8	133.1	-148.8	-127	0	0	0	108.3
2012	L	43.5	Very low	46.4	Very low	138.333 Å²	138.333	153.1 Å²	153.1	72%	0.724	77%	0.771	S	S	*	*			trans	61.1	111.7	166.8	-52.6	176.8	0	0	0	116.4
2013	D	43.7	Very low	47.3	Very low	135 Å²	135	153.1 Å²	153.1	72%	0.722	77%	0.774	S	S	*	*			cis	178.6	141	19.6	-128.2	-17.2	0	0	0	112.8
2014	S	47.7	Very low	47.7	Very low	108 Å²	108	154.7 Å²	154.7	76%	0.755	78%	0.775	S	S	*	*			trans	150.9	95.5	163.5	-68	0	0	0	0	110.9	G2016	S2014-G2016 PolarHBondContact O-N 2.86Å
2015	E	43.7	Very low	48.1	Very low	176.667 Å²	176.667	155.5 Å²	155.5	83%	0.826	78%	0.779	S	S	*	*				39	121.2	117.8	-61.9	-148.6	158.9	0	0	113.7	E2017	E2015-E2017 PolarHBondContact O-N 3.34Å
2016	G	45.9	Very low	48.4	Very low	68 Å²	68	155 Å²	155	70%	0.701	79%	0.785	S	S	*	*			trans	-147	87.2	173.1	0	0	0	0	0	112.9	S2014 W2018	S2014-G2016 PolarHBondContact O-N 2.86Å; G2016-W2018 VanDerWaalsContact O-CD1 3.23Å; G2016-W2018 PolarHBondContact O-N 3Å; G2016-W2018 VanDerWaalsContact O-N 3.07Å
2017	E	46.4	Very low	48.2	Very low	192.667 Å²	192.667	151 Å²	151	90%	0.9	79%	0.788	S	S	*	*			trans	-93.9	121.7	165.1	-65	-176.3	143.2	0	0	107.9	E2015 E2019	E2015-E2017 PolarHBondContact O-N 3.34Å; E2017-E2019 VanDerWaalsContact C-N 3.31Å; E2017-E2019 PolarHBondContact O-N 2.88Å; E2017-E2019 VanDerWaalsContact O-N 3.12Å
2018	W	69.3	Low	48.2	Very low	251 Å²	251	150.1 Å²	150.1	95%	0.951	79%	0.791	S	S	*	*			trans	-86.7	108.1	169.9	-73.4	89.4	0	0	0	108.2	G2016 E2020	G2016-W2018 VanDerWaalsContact O-CD1 3.23Å; G2016-W2018 PolarHBondContact O-N 3Å; G2016-W2018 VanDerWaalsContact O-N 3.07Å; W2018-E2020 PolarHBondContact O-N 2.91Å; W2018-E2020 VanDerWaalsContact O-N 3.14Å
2019	E	60.3	Low	48.5	Very low	177 Å²	177	149.5 Å²	149.5	83%	0.827	80%	0.797	S	S	*	*			trans	-66.6	122.6	174.6	-171.3	168.1	-150.8	0	0	109.8	E2017 V2021	E2017-E2019 VanDerWaalsContact C-N 3.31Å; E2017-E2019 PolarHBondContact O-N 2.88Å; E2017-E2019 VanDerWaalsContact O-N 3.12Å; E2019-V2021 HydrophobicContact CG-CG2 4.23Å; E2019-V2021 PolarHBondContact O-N 3.13Å
2020	E	55.7	Low	48.7	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	80%	0.798	S	S	*	*			trans	-73.4	97.4	-180	-67.5	-175.4	138.6	0	0	110.1	W2018 E2022	W2018-E2020 PolarHBondContact O-N 2.91Å; W2018-E2020 VanDerWaalsContact O-N 3.14Å; E2020-E2022 PolarHBondContact O-N 3.09Å; E2020-E2022 VanDerWaalsContact O-N 3.13Å
2021	V	61.1	Low	49.2	Very low	117 Å²	117	150.5 Å²	150.5	71%	0.709	81%	0.806	S	S	*	*			trans	-78.4	104.8	174.7	-178.7	0	0	0	0	109.4	E2019 C2023	E2019-V2021 HydrophobicContact CG-CG2 4.23Å; E2019-V2021 PolarHBondContact O-N 3.13Å; V2021-C2023 PolarHBondContact O-N 3.11Å; V2021-C2023 VanDerWaalsContact O-N 3.12Å; V2021-C2023 PolarHBondContact O-SG 2.85Å; V2021-C2023 VanDerWaalsContact O-SG 3.38Å
2022	E	51.9	Low	49.5	Very low	164.667 Å²	164.667	148.8 Å²	148.8	77%	0.769	81%	0.805	S	S	*	*			trans	-62.3	99.3	174	-69.8	-170.6	147	0	0	111.4	E2020 N2024	E2020-E2022 PolarHBondContact O-N 3.09Å; E2020-E2022 VanDerWaalsContact O-N 3.13Å; E2022-N2024 VanDerWaalsContact C-N 3.34Å; E2022-N2024 PolarHBondContact O-N 3.14Å; E2022-N2024 PolarHBondContact OE2-ND2 3.03Å
2023	C	60.1	Low	49.2	Very low	118.333 Å²	118.333	149.5 Å²	149.5	80%	0.8	81%	0.81	S	S	*	*			trans	-79.4	80.5	172	-68.8	0	0	0	0	110.8	V2021 E2025	V2021-C2023 PolarHBondContact O-N 3.11Å; V2021-C2023 VanDerWaalsContact O-N 3.12Å; V2021-C2023 PolarHBondContact O-SG 2.85Å; V2021-C2023 VanDerWaalsContact O-SG 3.38Å; C2023-E2025 PolarHBondContact O-N 3.03Å
2024	N	48.1	Very low	49	Very low	131.333 Å²	131.333	148.4 Å²	148.4	70%	0.702	81%	0.813	S	S	*	*			trans	-78.6	98.3	177	-76.3	-35.5	0	0	0	112.2	E2022 S2026	E2022-N2024 VanDerWaalsContact C-N 3.34Å; E2022-N2024 PolarHBondContact O-N 3.14Å; E2022-N2024 PolarHBondContact OE2-ND2 3.03Å; N2024-S2026 PolarHBondContact O-N 3.33Å; N2024-S2026 PolarHBondContact O-OG 3.45Å
2025	E	49.4	Very low	48.7	Very low	185.667 Å²	185.667	150.6 Å²	150.6	87%	0.868	81%	0.814	S	S	*	*			trans	-83.5	109.8	162	-139.7	173.6	-161.1	0	0	113.6	C2023	C2023-E2025 PolarHBondContact O-N 3.03Å
2026	S	46.6	Very low	48.5	Very low	114 Å²	114	150.6 Å²	150.6	80%	0.797	81%	0.814	S	S	*	*			trans	102.4	97.6	135.6	66.1	0	0	0	0	116.5	N2024	N2024-S2026 PolarHBondContact O-N 3.33Å; N2024-S2026 PolarHBondContact O-OG 3.45Å
2027	G	39.1	Very low	48.2	Very low	78.3333 Å²	78.3333	152.9 Å²	152.9	81%	0.808	82%	0.815	S	S	*	*			trans	88.8	101.4	145.6	0	0	0	0	0	119.3
2028	C	41.6	Very low	47.7	Very low	122.333 Å²	122.333	149.3 Å²	149.3	83%	0.827	81%	0.806	S	S	*	*			trans	-157.9	119.7	133.7	-166.6	0	0	0	0	110.6	E2030	C2028-E2030 PolarHBondContact O-N 2.9Å
2029	E	44.9	Very low	46.1	Very low	182.333 Å²	182.333	142.9 Å²	142.9	85%	0.852	80%	0.795	S	S	*	*			trans	-105.2	44.8	-174.7	-89.7	-178.2	128.3	0	0	112.8	C2031	E2029-C2031 PolarHBondContact O-N 2.97Å
2030	E	46.3	Very low	44.9	Very low	181.333 Å²	181.333	140 Å²	140	85%	0.847	79%	0.789	S	S	*	*			trans	-128.5	34.8	-177.9	-135.9	176.4	-177.3	0	0	114.8	C2028	C2028-E2030 PolarHBondContact O-N 2.9Å
2031	C	48.1	Very low	44	Very low	129.333 Å²	129.333	136.8 Å²	136.8	87%	0.874	78%	0.783	S	S	*	*			trans	-120.9	26.1	172.9	-83.3	0	0	0	0	113.7	E2029 N2033	E2029-C2031 PolarHBondContact O-N 2.97Å; C2031-N2033 VanDerWaalsContact C-N 3.34Å; C2031-N2033 PolarHBondContact O-N 3.38Å
2032	Q	45.4	Very low	42.8	Very low	165.667 Å²	165.667	136.5 Å²	136.5	77%	0.774	78%	0.781	S	S	*	*			trans	-84.8	79.6	179.6	-70.8	-142.9	-0.7	0	0	113.6
2033	N	37.1	Very low	42.1	Very low	152.333 Å²	152.333	134.7 Å²	134.7	82%	0.815	78%	0.782	S	S	*	*			trans	-120.3	87.6	171.7	-78.7	-41.2	0	0	0	115.6	C2031	C2031-N2033 VanDerWaalsContact C-N 3.34Å; C2031-N2033 PolarHBondContact O-N 3.38Å
2034	S	40.1	Very low	40.9	Very low	113.333 Å²	113.333	134.3 Å²	134.3	79%	0.793	78%	0.776	S	S	*	*			trans	161.1	113.7	153.2	-137.2	0	0	0	0	114.9
2035	I	41.2	Very low	40.4	Very low	153.333 Å²	153.333	134 Å²	134	79%	0.786	78%	0.779	S	S	*	*			trans	170.2	107.7	145.6	-68.9	172.9	0	0	0	112.2
2036	H	40.2	Very low	39.7	Very low	176 Å²	176	131 Å²	131	82%	0.815	77%	0.769	S	S	*	*			trans	91.3	104.7	156.1	-106.8	-61.9	0	0	0	121.1
2037	T	38.8	Very low	39.3	Very low	116.333 Å²	116.333	134.1 Å²	134.1	71%	0.714	77%	0.768	S	S	*	*			trans	-124.4	138.9	153.5	12.4	0	0	0	0	114.6
2038	T	36.5	Very low	39	Very low	117.667 Å²	117.667	134.9 Å²	134.9	72%	0.722	76%	0.761	S	S	*	*				111.7	131.6	112.1	-41.7	0	0	0	0	117.4
2039	T	35.7	Very low	38.7	Very low	116.667 Å²	116.667	136.8 Å²	136.8	72%	0.716	76%	0.761	S	S	*	*			trans	80	134.6	138.3	-17.7	0	0	0	0	121
2040	T	35	Very low	38.2	Very low	115.667 Å²	115.667	132.9 Å²	132.9	71%	0.71	75%	0.754	S	S	*	*			trans	59.6	114.9	146.8	-4.6	0	0	0	0	119.4	T2042	T2040-T2042 HydrophobicContact CG2-CG2 4.42Å
2041	T	36.2	Very low	37.6	Very low	122 Å²	122	129.4 Å²	129.4	75%	0.748	75%	0.75	S	S	*	*			trans	60.1	115.8	134.3	22.6	0	0	0	0	116.1
2042	T	36.7	Very low	37	Very low	109.333 Å²	109.333	131 Å²	131	67%	0.671	75%	0.748	S	S	*	*				-77.3	142.4	111.7	27.3	0	0	0	0	113.9	T2040 T2044	T2040-T2042 HydrophobicContact CG2-CG2 4.42Å; T2042-T2044 PolarHBondContact O-N 3.41Å
2043	T	36.9	Very low	36.5	Very low	128.333 Å²	128.333	126.6 Å²	126.6	79%	0.787	75%	0.748	S	S	*	*			trans	-78.8	132.5	132.9	44.5	0	0	0	0	114.9
2044	T	35.7	Very low	36.4	Very low	109.667 Å²	109.667	125.7 Å²	125.7	67%	0.673	74%	0.744	S	S	*	*			trans	-149.1	137.2	133.5	40.6	0	0	0	0	113.1	T2042	T2042-T2044 PolarHBondContact O-N 3.41Å
2045	T	37.8	Very low	36.2	Very low	124 Å²	124	126.1 Å²	126.1	76%	0.761	74%	0.737	S	S	*	*				164.7	139.4	127.4	16.9	0	0	0	0	111.5
2046	D	34.5	Very low	36.1	Very low	122 Å²	122	126.5 Å²	126.5	65%	0.652	74%	0.735	S	S	*	*			cis	178.3	142	34	-108.7	-19.3	0	0	0	113.1
2047	K	38.6	Very low	35.8	Very low	180.667 Å²	180.667	122.9 Å²	122.9	79%	0.786	73%	0.73	S	S	*	*			trans	57.9	122.5	150.7	-69.4	167.5	-176.6	144.8	0	116.7
2048	S	32.4	Very low	35.9	Very low	94.3333 Å²	94.3333	126 Å²	126	66%	0.66	73%	0.733	S	S	*	*			cis	91.8	124.3	47.3	64	0	0	0	0	115	S2050	S2048-S2050 PolarHBondContact O-N 3.3Å; S2048-S2050 VanDerWaalsContact O-N 3.16Å
2049	I	35.7	Very low	35.7	Very low	163 Å²	163	128 Å²	128	84%	0.836	73%	0.734	S	S	*	*			trans	45.3	118.3	154.7	-56.3	164.2	0	0	0	113
2050	S	34.2	Very low	35.6	Very low	100 Å²	100	129.4 Å²	129.4	70%	0.699	74%	0.736	S	S	*	*				-143.2	133.3	121.6	51.1	0	0	0	0	113.4	S2048	S2048-S2050 PolarHBondContact O-N 3.3Å; S2048-S2050 VanDerWaalsContact O-N 3.16Å
2051	S	32.9	Very low	35.7	Very low	107.667 Å²	107.667	129.2 Å²	129.2	75%	0.753	73%	0.734	S	S	*	*				-117	140.1	119.2	65.6	0	0	0	0	112.5
2052	L	36.2	Very low	35.6	Very low	162 Å²	162	129.1 Å²	129.1	85%	0.848	73%	0.734	S	S	*	*			trans	-164.8	133	174.9	-93.7	121.3	0	0	0	112.4	N2054	L2052-N2054 HydrophobicContact CB-CB 4.31Å; L2052-N2054 HydrophobicContact CD2-CB 4.22Å
2053	G	34	Very low	35.6	Very low	75 Å²	75	130 Å²	130	77%	0.773	74%	0.739	S	S	*	*			trans	-157.8	123	166.6	0	0	0	0	0	111.7
2054	N	34.6	Very low	35.4	Very low	133.667 Å²	133.667	128.9 Å²	128.9	72%	0.715	74%	0.737	S	S	*	*			cis	-173.4	137.7	33.5	-151.9	8	0	0	0	112.7	L2052	L2052-N2054 HydrophobicContact CB-CB 4.31Å; L2052-N2054 HydrophobicContact CD2-CB 4.22Å
2055	N	36.4	Very low	35.8	Very low	121 Å²	121	129.4 Å²	129.4	65%	0.647	74%	0.742	S	S	*	*			trans	65.2	124.9	167.4	-64	-52.9	0	0	0	115.6
2056	Q	38.3	Very low	36	Very low	161.333 Å²	161.333	128.9 Å²	128.9	75%	0.754	74%	0.741	S	S	*	*				91.5	133.9	73.9	-77.9	176.1	58.7	0	0	112.7
2057	S	35.1	Very low	36.1	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	75%	0.746	S	S	*	*			cis	163.6	144.7	18.3	-170.6	0	0	0	0	111.4
2058	K	40.1	Very low	35.9	Very low	181 Å²	181	129.1 Å²	129.1	79%	0.787	75%	0.748	S	S	*	*				163	130.1	116	-101.6	160.1	-176.6	174.4	0	113.5
2059	H	31.9	Very low	36.1	Very low	161.667 Å²	161.667	129.5 Å²	129.5	75%	0.748	75%	0.751	S	S	*	*				75.3	124.8	115.5	-122.7	-102.3	0	0	0	119.1
2060	I	35.6	Very low	36	Very low	144.667 Å²	144.667	126.9 Å²	126.9	74%	0.742	75%	0.748	S	S	*	*			trans	-177.9	154.8	131.5	-59	169	0	0	0	112.6
2061	T	36.7	Very low	36.4	Very low	111.333 Å²	111.333	127.6 Å²	127.6	68%	0.683	75%	0.75	S	S	*	*				123.4	134.8	70.5	-45.9	0	0	0	0	113.8
2062	T	34.2	Very low	36.4	Very low	121 Å²	121	127.7 Å²	127.7	74%	0.742	75%	0.75	S	S	*	*			trans	-166.9	163.8	-179.5	45.4	0	0	0	0	113.8
2063	T	35.7	Very low	36.2	Very low	127.667 Å²	127.667	125.1 Å²	125.1	78%	0.783	75%	0.745	S	S	*	*			trans	-143.4	142	148.2	27.9	0	0	0	0	116.6
2064	S	33	Very low	36.1	Very low	106 Å²	106	130 Å²	130	74%	0.741	75%	0.747	S	S	*	*			trans	10.8	147.7	152.4	28.6	0	0	0	0	120.4
2065	P	45	Very low	36.6	Very low	119.333 Å²	119.333	128.3 Å²	128.3	78%	0.775	74%	0.743	S	S	*	*			trans	-118.2	160	150.3	38.9	-30.9	0	0	0	115.7
2066	P	41.6	Very low	36.4	Very low	113.333 Å²	113.333	127.9 Å²	127.9	74%	0.736	75%	0.745	S	S	*	*			trans	-110.8	-172.5	164.1	28.3	-13.3	0	0	0	112.9
2067	I	36	Very low	36.1	Very low	149.667 Å²	149.667	126.7 Å²	126.7	77%	0.768	74%	0.742	S	S	*	*				157.5	128	-75.4	-83.3	164.9	0	0	0	109.8
2068	L	35	Very low	36	Very low	158 Å²	158	129.9 Å²	129.9	83%	0.827	74%	0.744	S	S	*	*			trans	57.5	143.8	135.2	-119.8	64.3	0	0	0	118.3
2069	S	35.4	Very low	35.8	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	74%	0.742	S	S	*	*			trans	172.1	136.6	135.9	-71.3	0	0	0	0	112.5
2070	S	33.6	Very low	36	Very low	109.333 Å²	109.333	127.1 Å²	127.1	77%	0.765	74%	0.738	S	S	*	*				52.3	151.5	60.3	-66.2	0	0	0	0	114.7
2071	P	43.1	Very low	36	Very low	114.333 Å²	114.333	126.3 Å²	126.3	74%	0.742	74%	0.735	S	S	*	*			cis	-136.3	173.8	21.2	43.4	-28.1	0	0	0	118.3
2072	S	33	Very low	35.9	Very low	108.333 Å²	108.333	131.3 Å²	131.3	76%	0.758	74%	0.742	S	S	*	*				120.9	141.2	129.5	66.7	0	0	0	0	119.6
2073	C	32.7	Very low	36.1	Very low	109.333 Å²	109.333	130.8 Å²	130.8	74%	0.739	74%	0.738	S	S	*	*			trans	65.7	129.8	148.8	-65.6	0	0	0	0	118.2
2074	H	32	Very low	36.1	Very low	176.667 Å²	176.667	131.2 Å²	131.2	82%	0.818	74%	0.736	S	S	*	*				78.1	171.3	90	-103.3	-71.9	0	0	0	115.6
2075	P	43.5	Very low	36.3	Very low	99.3333 Å²	99.3333	134 Å²	134	65%	0.645	74%	0.737	S	S	*	*				-124	-159.4	-93.1	33.2	-9.6	0	0	0	112.8
2076	T	32.5	Very low	35.9	Very low	110.667 Å²	110.667	133.9 Å²	133.9	68%	0.679	73%	0.729	S	S	*	*				113.2	118.2	123.9	-30.8	0	0	0	0	117.3
2077	I	33.1	Very low	35.7	Very low	136.333 Å²	136.333	136 Å²	136	70%	0.699	73%	0.729	S	S	*	*			trans	63.5	138.2	134.8	-64.1	162.5	0	0	0	118.7
2078	F	31.7	Very low	35.5	Very low	167 Å²	167	133 Å²	133	73%	0.732	72%	0.721	S	S	*	*				113.2	140.6	120.7	-85.8	-61.2	0	0	0	116.9
2079	L	37.4	Very low	35.4	Very low	140.667 Å²	140.667	131.6 Å²	131.6	74%	0.736	72%	0.72	S	S	*	*			trans	99.2	153.3	131.2	-69.8	164.2	0	0	0	115.2
2080	Q	35.4	Very low	35.2	Very low	145 Å²	145	131.9 Å²	131.9	68%	0.678	72%	0.722	S	S	*	*			cis	-169.3	145.8	-25.3	170.1	165	4.8	0	0	110.7
2081	N	35.8	Very low	35.3	Very low	126 Å²	126	130.6 Å²	130.6	67%	0.674	71%	0.713	S	S	*	*			trans	68.7	143.9	160.6	-81.3	-52.4	0	0	0	119.7
2082	R	35.2	Very low	34.9	Very low	218 Å²	218	131.7 Å²	131.7	82%	0.823	71%	0.712	S	S	*	*				114.3	144.1	100.7	-100.5	175.1	-175.3	-170	0.1	117.8
2083	T	37.5	Very low	34.9	Very low	109.333 Å²	109.333	132.5 Å²	132.5	67%	0.671	71%	0.708	S	S	*	*			trans	-140.6	142.4	167.2	28.9	0	0	0	0	116.2
2084	N	36.6	Very low	35	Very low	137 Å²	137	136.4 Å²	136.4	73%	0.733	71%	0.713	S	S	*	*				104.7	137.1	125.8	-78.5	-8.7	0	0	0	118.2
2085	Q	35.5	Very low	35.2	Very low	163.333 Å²	163.333	134 Å²	134	76%	0.763	71%	0.706	S	S	*	*			trans	73.7	131.6	144.4	-61.4	-159.4	108.1	0	0	120
2086	L	36.8	Very low	35.3	Very low	118.667 Å²	118.667	134.7 Å²	134.7	62%	0.621	71%	0.71	S	S	*	*			cis	159.6	149.6	0.8	-98.2	175.3	0	0	0	112.2
2087	H	36.9	Very low	35.3	Very low	156.333 Å²	156.333	135.9 Å²	135.9	72%	0.724	71%	0.712	S	S	*	*			trans	66.2	135.8	154.8	-56.5	137.2	0	0	0	118.8
2088	S	33.3	Very low	35.2	Very low	87.3333 Å²	87.3333	134.3 Å²	134.3	61%	0.611	71%	0.712	S	S	*	*			cis	169	128.9	7.5	-88.8	0	0	0	0	113.8
2089	T	32.1	Very low	35.3	Very low	128.667 Å²	128.667	132.3 Å²	132.3	79%	0.789	71%	0.713	S	S	*	*			trans	56.1	147.1	136.1	61.2	0	0	0	0	122.1
2090	S	32.5	Very low	35	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	71%	0.71	S	S	*	*			trans	110.3	145.4	146.8	92	0	0	0	0	114.1
2091	S	33.6	Very low	34.9	Very low	83 Å²	83	130.8 Å²	130.8	58%	0.58	71%	0.714	S	S	*	*			cis	176.2	155.9	25	61.6	0	0	0	0	115.4
2092	N	35.1	Very low	34.7	Very low	137 Å²	137	130.7 Å²	130.7	73%	0.733	71%	0.713	S	S	*	*			trans	70.7	157.7	153.3	-58.4	-25.5	0	0	0	117.1
2093	N	33.3	Very low	34.5	Very low	125 Å²	125	125.5 Å²	125.5	67%	0.668	70%	0.702	S	S	*	*			cis	-165.4	163.2	-30	-116.1	-19	0	0	0	107.7
2094	F	34.2	Very low	34.2	Very low	190.333 Å²	190.333	126.9 Å²	126.9	84%	0.835	70%	0.701	S	S	*	*			trans	93.7	154.4	160.3	-98.5	-91.8	0	0	0	115.5
2095	N	37.3	Very low	34	Very low	126.333 Å²	126.333	127.8 Å²	127.8	68%	0.676	70%	0.701	S	S	*	*			trans	-89.2	149.5	163.7	-141.1	-7	0	0	0	111.4	L2097	N2095-L2097 HydrophobicContact CB-CB 3.95Å; N2095-L2097 PolarHBondContact OD1-N 3.16Å; N2095-L2097 VanDerWaalsContact OD1-N 3.15Å
2096	P	45.4	Very low	33.9	Very low	114 Å²	114	127.8 Å²	127.8	74%	0.74	70%	0.701	S	S	*	*				-124	138.4	109.8	25	-14.6	0	0	0	111.7
2097	L	32.1	Very low	34	Very low	137 Å²	137	127.1 Å²	127.1	72%	0.717	70%	0.703	S	S	*	*			cis	74.3	123.6	49.5	-129.1	141.8	0	0	0	114	N2095	N2095-L2097 HydrophobicContact CB-CB 3.95Å; N2095-L2097 PolarHBondContact OD1-N 3.16Å; N2095-L2097 VanDerWaalsContact OD1-N 3.15Å
2098	C	31	Very low	33.6	Very low	103.333 Å²	103.333	125.4 Å²	125.4	70%	0.698	70%	0.699	S	S	*	*			trans	100.9	163.1	130.4	63.9	0	0	0	0	117.2
2099	V	33.5	Very low	33.4	Very low	123.333 Å²	123.333	130.2 Å²	130.2	75%	0.747	71%	0.705	S	S	*	*			trans	100.4	137.5	150.8	149.7	0	0	0	0	113.6
2100	T	32.3	Very low	33.1	Very low	108.667 Å²	108.667	130.2 Å²	130.2	67%	0.667	70%	0.7	S	S	*	*			cis	105.1	114.5	24.4	-48.5	0	0	0	0	111.7
2101	L	31.8	Very low	32.9	Very low	146 Å²	146	132.1 Å²	132.1	76%	0.764	70%	0.701	S	S	*	*			trans	62.8	141.9	140.7	-56.2	164.7	0	0	0	114.6
2102	N	31.9	Very low	32.6	Very low	123.333 Å²	123.333	132.7 Å²	132.7	66%	0.66	71%	0.705	S	S	*	*			cis	-164.5	156.2	39.8	-127.2	-7.3	0	0	0	112
2103	N	31.4	Very low	32.6	Very low	109.333 Å²	109.333	132 Å²	132	59%	0.585	71%	0.706	S	S	*	*			trans	55.3	137	131.1	-96.2	-18.1	0	0	0	117.7
2104	Q	31.2	Very low	32.9	Very low	138.667 Å²	138.667	131.6 Å²	131.6	65%	0.648	71%	0.71	S	S	*	*				108.3	151.7	117.8	-83.8	178.1	36.3	0	0	115
2105	Q	32.1	Very low	33	Very low	156 Å²	156	127.7 Å²	127.7	73%	0.729	70%	0.704	S	S	*	*			trans	92.4	132.2	141.4	-85.5	169.9	34	0	0	116
2106	Q	34.2	Very low	32.8	Very low	164 Å²	164	125.6 Å²	125.6	77%	0.766	70%	0.704	S	S	*	*				29.8	139.9	128.3	-68.5	-80.5	-11.7	0	0	113.9	L2108	Q2106-L2108 VanDerWaalsContact OE1-N 3.07Å
2107	P	39.2	Very low	32.1	Very low	103 Å²	103	127.5 Å²	127.5	67%	0.669	71%	0.708	S	S	*	*				-133.3	164.4	112.9	28.9	-12.1	0	0	0	116.6
2108	L	27.8	Very low	32.1	Very low	120.667 Å²	120.667	125.8 Å²	125.8	63%	0.632	71%	0.707	S	S	*	*			trans	53.1	140.3	132.6	-58.2	172.5	0	0	0	119.3	Q2106	Q2106-L2108 VanDerWaalsContact OE1-N 3.07Å
2109	Y	28.5	Very low	32	Very low	189.333 Å²	189.333	125.3 Å²	125.3	74%	0.742	71%	0.705	S	S	*	*			trans	97.7	135.9	131.6	-74.3	-56	0	0	0	117.1
2110	N	26.5	Very low	31.9	Very low	127 Å²	127	127.2 Å²	127.2	68%	0.679	71%	0.71	S	S	*	*				92	150.5	98.6	-95.1	-6.8	0	0	0	115.5
2111	L	28	Very low	31.8	Very low	149 Å²	149	126.7 Å²	126.7	78%	0.78	71%	0.711	S	S	*	*			trans	76.5	134.2	145.8	-100.6	64.2	0	0	0	119.4
2112	S	27.8	Very low	31.8	Very low	96 Å²	96	126.5 Å²	126.5	67%	0.671	71%	0.709	S	S	*	*				114.9	132.8	111.9	-86.5	0	0	0	0	117.4
2113	T	35.7	Very low	31.9	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	71%	0.712	S	S	*	*				-79.4	157.7	111.5	36.8	0	0	0	0	111.2	P2115	T2113-P2115 HydrophobicContact CG2-CB 4.36Å
2114	P	38.6	Very low	31.9	Very low	116.333 Å²	116.333	128.6 Å²	128.6	76%	0.755	72%	0.719	S	S	*	*				-105.8	-168.4	105.1	38.7	-34	0	0	0	110.4	A2116	P2114-A2116 HydrophobicContact CB-CB 4.32Å; P2114-A2116 HydrophobicContact CG-CB 4.48Å
2115	P	36	Very low	31.9	Very low	110 Å²	110	126.4 Å²	126.4	71%	0.714	72%	0.719	S	S	*	*			cis	-105.5	-176.6	-21.1	21.4	-5.7	0	0	0	113.1	T2113	T2113-P2115 HydrophobicContact CG2-CB 4.36Å
2116	A	33.2	Very low	31.8	Very low	80.6667 Å²	80.6667	126.5 Å²	126.5	67%	0.667	72%	0.717	S	S	*	*				111.4	113.7	129.4	0	0	0	0	0	114.2	P2114	P2114-A2116 HydrophobicContact CB-CB 4.32Å; P2114-A2116 HydrophobicContact CG-CB 4.48Å
2117	N	30.5	Very low	31.7	Very low	155.333 Å²	155.333	125.8 Å²	125.8	83%	0.831	71%	0.714	S	S	*	*				95	109.7	78	-71	-12.8	0	0	0	111.3
2118	S	32.4	Very low	31.4	Very low	101.333 Å²	101.333	128.4 Å²	128.4	71%	0.709	72%	0.717	S	S	*	*			cis	-179.6	160.6	28.8	53.1	0	0	0	0	105.6
2119	S	30.3	Very low	31.6	Very low	91.3333 Å²	91.3333	126.8 Å²	126.8	64%	0.639	72%	0.715	S	S	*	*			cis	149.9	136.2	23.9	14.5	0	0	0	0	110.1
2120	L	30.3	Very low	31.7	Very low	163.333 Å²	163.333	124.8 Å²	124.8	86%	0.855	72%	0.718	S	S	*	*				47.4	122.6	128.3	-62.3	149.7	0	0	0	116.6
2121	S	31	Very low	32	Very low	100 Å²	100	123.8 Å²	123.8	70%	0.699	72%	0.721	S	S	*	*			cis	-152.7	133.9	35.8	15	0	0	0	0	110.8
2122	I	31.1	Very low	32.2	Very low	140.333 Å²	140.333	122.2 Å²	122.2	72%	0.72	72%	0.717	S	S	*	*				78.4	117.8	88.8	-71.8	171.1	0	0	0	114.8
2123	I	33.7	Very low	32.3	Very low	138.333 Å²	138.333	124.6 Å²	124.6	71%	0.709	72%	0.723	S	S	*	*			trans	76.3	113.3	147.3	-61.7	173.8	0	0	0	116.4
2124	N	31.3	Very low	32.1	Very low	139.333 Å²	139.333	124.1 Å²	124.1	75%	0.745	72%	0.724	S	S	*	*				102.3	98.1	59.1	-109.4	-13.6	0	0	0	117.8
2125	S	31.1	Very low	31.8	Very low	91.6667 Å²	91.6667	123.1 Å²	123.1	64%	0.641	72%	0.72	S	S	*	*				95	131.3	107.5	75.8	0	0	0	0	114.6
2126	K	31.5	Very low	31.8	Very low	157.667 Å²	157.667	126.2 Å²	126.2	69%	0.686	73%	0.73	S	S	*	*				98.4	105	73.3	-110.6	-178	177.9	-176.4	0	114.4	D2288	K2126-D2288 IonicContact NZ-OD1 2.68Å; K2126-D2288 PolarHBondContact NZ-OD1 3.36Å; K2126-D2288 IonicContact NZ-OD2 2.95Å; K2126-D2288 PolarHBondContact NZ-OD2 3.13Å
2127	Q	32.3	Very low	31.8	Very low	150.667 Å²	150.667	125.9 Å²	125.9	70%	0.704	73%	0.734	S	S	*	*				92	135.7	115.9	-82.2	168.1	-17	0	0	112.7
2128	Q	31.8	Very low	32	Very low	158 Å²	158	123.8 Å²	123.8	74%	0.738	73%	0.732	S	S	*	*			cis	172.6	133.3	10.9	-136.8	165.3	-6.5	0	0	111
2129	S	32.3	Very low	32.1	Very low	85.3333 Å²	85.3333	124 Å²	124	60%	0.597	73%	0.733	S	S	*	*			trans	50.8	128.8	139.3	66.7	0	0	0	0	119.3
2130	N	30.7	Very low	32.3	Very low	149 Å²	149	128.3 Å²	128.3	80%	0.797	74%	0.74	S	S	*	*			trans	57.2	146.4	145.3	-48	-13.1	0	0	0	116.6
2131	S	32.4	Very low	32.5	Very low	105.667 Å²	105.667	126.3 Å²	126.3	74%	0.739	74%	0.735	S	S	*	*			cis	-162	147.6	33.4	-80.9	0	0	0	0	113.6
2132	T	31.4	Very low	32.6	Very low	114.667 Å²	114.667	126.7 Å²	126.7	70%	0.703	74%	0.738	S	S	*	*			trans	-8.6	131.2	149.5	55.6	0	0	0	0	117.3
2133	N	30.6	Very low	32.8	Very low	146.667 Å²	146.667	131.4 Å²	131.4	78%	0.784	75%	0.747	S	S	*	*			trans	108.8	118.9	134.5	-68.1	-21.8	0	0	0	118.1
2134	S	31.7	Very low	32.9	Very low	110.667 Å²	110.667	130 Å²	130	77%	0.774	75%	0.749	S	S	*	*				96.6	139.4	123.9	19	0	0	0	0	118.9
2135	S	32.4	Very low	33.1	Very low	95.6667 Å²	95.6667	128 Å²	128	67%	0.669	75%	0.752	S	S	*	*				118.1	125.9	107.3	164.3	0	0	0	0	117.4
2136	L	35.8	Very low	33.3	Very low	174.667 Å²	174.667	127.7 Å²	127.7	91%	0.914	76%	0.763	S	S	*	*			trans	64.2	151.8	154.3	-60.1	164.5	0	0	0	117.7
2137	G	34.2	Very low	33.4	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	76%	0.759	S	S	*	*			trans	141.8	118.3	158.8	0	0	0	0	0	112.9
2138	S	34	Very low	33.6	Very low	112.333 Å²	112.333	125.3 Å²	125.3	79%	0.786	77%	0.767	S	S	*	*			trans	-116.1	152.9	169.9	-65.5	0	0	0	0	111.7
2139	S	34.7	Very low	33.8	Very low	104.667 Å²	104.667	122.8 Å²	122.8	73%	0.732	77%	0.767	S	S	*	*			trans	93.9	135.8	147.3	-65.7	0	0	0	0	119.1
2140	K	34.8	Very low	34.1	Very low	181 Å²	181	123.3 Å²	123.3	79%	0.787	77%	0.771	S	S	*	*				101.4	120.9	103	-89.4	173.8	-178.3	178.7	0	119.2
2141	T	33.9	Very low	34.4	Very low	121.667 Å²	121.667	122.1 Å²	122.1	75%	0.746	77%	0.774	S	S	*	*			trans	70.1	116.1	131	56.8	0	0	0	0	122.5
2142	S	33.4	Very low	34.4	Very low	109.667 Å²	109.667	120.8 Å²	120.8	77%	0.767	78%	0.777	S	S	*	*			trans	50.9	138.9	132.1	32.2	0	0	0	0	118.8
2143	R	34.5	Very low	34.6	Very low	237.333 Å²	237.333	119.1 Å²	119.1	90%	0.896	78%	0.782	S	S	*	*			trans	179.9	133.9	139	-100.7	172.9	173.1	-163.4	-4.9	110.6
2144	S	35.8	Very low	34.8	Very low	109 Å²	109	117.4 Å²	117.4	76%	0.762	78%	0.782	S	S	*	*				94.4	157	74	-23.5	0	0	0	0	113.9
2145	A	36.7	Very low	34.9	Very low	98.3333 Å²	98.3333	118.3 Å²	118.3	81%	0.813	78%	0.783	S	S	*	*			cis	-154.1	156.4	-8.1	0	0	0	0	0	109.4
2146	G	33.8	Very low	35	Very low	84 Å²	84	117.2 Å²	117.2	87%	0.866	79%	0.787	S	S	*	*			trans	90.5	149.3	134.8	0	0	0	0	0	114
2147	G	34.2	Very low	34.9	Very low	58 Å²	58	117.4 Å²	117.4	60%	0.598	79%	0.788	S	S	*	*			cis	172.3	167.5	-6.5	0	0	0	0	0	112.5
2148	F	36.8	Very low	34.9	Very low	201 Å²	201	118 Å²	118	88%	0.882	79%	0.785	S	S	*	*			trans	69.2	125.6	172.7	-44.6	-69.7	0	0	0	115.4
2149	S	36	Very low	34.8	Very low	105.333 Å²	105.333	118.9 Å²	118.9	74%	0.737	78%	0.781	S	S	*	*				116.9	147.8	60	-76.8	0	0	0	0	111.3
2150	S	37.3	Very low	34.7	Very low	96.3333 Å²	96.3333	121.5 Å²	121.5	67%	0.674	79%	0.786	S	S	*	*			cis	-172	151.6	-12.2	46.9	0	0	0	0	110.7
2151	S	37.3	Very low	34.6	Very low	123.333 Å²	123.333	117.2 Å²	117.2	86%	0.862	78%	0.779	S	S	*	*			trans	59.3	142.8	160.7	62.5	0	0	0	0	119.9
2152	G	34	Very low	34.6	Very low	78.6667 Å²	78.6667	116.5 Å²	116.5	81%	0.811	78%	0.779	S	S	*	*			cis	152.7	143.1	19.2	0	0	0	0	0	115.4
2153	G	34.3	Very low	34.9	Very low	78 Å²	78	117 Å²	117	80%	0.804	78%	0.78	S	S	*	*			trans	91.3	131.2	165.4	0	0	0	0	0	116.2
2154	S	34.9	Very low	35.3	Very low	111.667 Å²	111.667	111.3 Å²	111.3	78%	0.781	77%	0.773	S	S	*	*			cis	85.7	131	44.1	-152.3	0	0	0	0	114.9
2155	T	34	Very low	35.4	Very low	130.667 Å²	130.667	111.7 Å²	111.7	80%	0.802	77%	0.773	S	S	*	*				12.7	130	109.7	53.9	0	0	0	0	117.6
2156	G	33.7	Very low	35.3	Very low	71.6667 Å²	71.6667	115.1 Å²	115.1	74%	0.739	78%	0.777	S	S	*	*				160.4	132.5	103.6	0	0	0	0	0	114.2
2157	L	34.8	Very low	35.7	Very low	179.667 Å²	179.667	116.4 Å²	116.4	94%	0.941	77%	0.77	S	S	*	*			trans	50.2	144	159.7	-60.3	173.5	0	0	0	115.6
2158	A	34.4	Very low	36	Very low	85.6667 Å²	85.6667	119.1 Å²	119.1	71%	0.708	78%	0.777	S	S	*	*			trans	176.9	117.4	159.6	0	0	0	0	0	113.4
2159	N	31	Very low	35.9	Very low	131.333 Å²	131.333	114.3 Å²	114.3	70%	0.702	77%	0.769	S	S	*	*			trans	52.2	130.9	152.6	-98.8	0.5	0	0	0	117.5
2160	L	33.4	Very low	35.7	Very low	159.333 Å²	159.333	118.3 Å²	118.3	83%	0.834	77%	0.773	S	S	*	*				95.8	111.7	128.2	-68.2	168.9	0	0	0	114.1
2161	S	32.8	Very low	35.6	Very low	90.6667 Å²	90.6667	120.5 Å²	120.5	63%	0.634	78%	0.777	S	S	*	*			trans	-124.8	150.7	143.7	-151.7	0	0	0	0	114.9
2162	S	33.4	Very low	35.3	Very low	106 Å²	106	118.9 Å²	118.9	74%	0.741	77%	0.765	S	S	*	*			trans	-54.2	160	164.6	-38.4	0	0	0	0	115.4
2163	P	40.7	Very low	35.4	Very low	121.667 Å²	121.667	120.4 Å²	120.4	79%	0.79	76%	0.759	S	S	*	*				-137.4	-178.3	84	33.9	-15	0	0	0	115.3
2164	P	41.6	Very low	35.4	Very low	116 Å²	116	121.3 Å²	121.3	75%	0.753	75%	0.748	S	S	*	*			trans	-104.6	-174.8	-161.3	36.5	-25.1	0	0	0	113.8
2165	P	38.1	Very low	35.4	Very low	118 Å²	118	122.2 Å²	122.2	77%	0.766	75%	0.745	S	S	*	*			trans	-104	172	-144.4	36.8	-30.7	0	0	0	115
2166	L	33.9	Very low	35.4	Very low	170.333 Å²	170.333	121.5 Å²	121.5	89%	0.892	74%	0.741	S	S	*	*			trans	-176.9	152.2	164.7	-82.3	162.5	0	0	0	113.6
2167	P	43.2	Very low	35.3	Very low	111.667 Å²	111.667	125.1 Å²	125.1	73%	0.725	74%	0.741	S	S	*	*			trans	-101.3	174.6	-174	41.5	-36.4	0	0	0	113.7
2168	P	39.5	Very low	35.2	Very low	115 Å²	115	122 Å²	122	75%	0.747	73%	0.73	S	S	*	*			trans	-121.3	164	175.6	39.6	-30.1	0	0	0	116.8
2169	S	34.6	Very low	35	Very low	100.333 Å²	100.333	123.4 Å²	123.4	70%	0.702	73%	0.73	S	S	*	*			trans	103.6	133	139.4	-55.4	0	0	0	0	118.6
2170	F	32.8	Very low	35	Very low	189 Å²	189	122.6 Å²	122.6	83%	0.829	73%	0.73	S	S	*	*			trans	83.7	129.9	140	-76.7	-59.5	0	0	0	119.1
2171	L	35.9	Very low	35	Very low	142.667 Å²	142.667	120.9 Å²	120.9	75%	0.747	73%	0.726	S	S	*	*			trans	80.9	120.8	146.4	-93.7	90.1	0	0	0	116.3	E1942	E1942-L2171 WeakPolarHBondContact OE2-CD2 3.47Å
2172	S	29.7	Very low	35.1	Very low	88 Å²	88	121.7 Å²	121.7	62%	0.615	73%	0.728	S	S	*	*				112	108.5	91	-167.6	0	0	0	0	111.6	I1939 T1940 D1941	I1939-S2172 PolarHBondContact O-OG 3.2Å; I1939-S2172 VanDerWaalsContact O-OG 3.11Å; T1940-S2172 PolarHBondContact N-OG 3.42Å; T1940-S2172 VanDerWaalsContact N-OG 3.14Å; T1940-S2172 CarbonylContact O-C 3.53Å; T1940-S2172 VanDerWaalsContact O-CA 3.26Å; T1940-S2172 WeakPolarHBondContact O-CA 3.39Å; T1940-S2172 PolarHBondContact O-OG 3.5Å; D1941-S2172 CarbonylContact O-C 3.21Å; D1941-S2172 WeakPolarHBondContact O-CA 3.22Å; D1941-S2172 PolarHBondContact O-N 3.41Å
2173	T	36.3	Very low	35	Very low	111.667 Å²	111.667	122 Å²	122	69%	0.685	73%	0.725	S	S	*	*			trans	-153.5	104.8	145.1	-48.1	0	0	0	0	111.3	T1940 D1941	T1940-T2173 PolarHBondContact O-N 3.26Å; T1940-T2173 VanDerWaalsContact O-N 3.07Å; D1941-T2173 CarbonylContact C-O 3.22Å; D1941-T2173 WeakPolarHBondContact CB-O 3.11Å; D1941-T2173 PolarHBondContact O-N 2.73Å
2174	T	34.6	Very low	34.8	Very low	95.3333 Å²	95.3333	121.4 Å²	121.4	59%	0.585	72%	0.715	S	S	*	*			trans	5.2	133	160.6	58	0	0	0	0	119.8
2175	N	34.7	Very low	34.5	Very low	131.333 Å²	131.333	120.1 Å²	120.1	70%	0.702	70%	0.702	S	S	*	*				106.2	133.4	120.9	-79.1	-24.9	0	0	0	117.9
2176	T	33.5	Very low	34.4	Very low	116.333 Å²	116.333	119.7 Å²	119.7	71%	0.714	69%	0.693	S	S	*	*				-131.2	147.7	114.4	30.9	0	0	0	0	118.2
2177	I	32.9	Very low	34.5	Very low	146.333 Å²	146.333	117.3 Å²	117.3	75%	0.75	68%	0.682	S	S	*	*			trans	65.7	106.2	139.9	-75	162.6	0	0	0	118.8
2178	T	31.4	Very low	34.1	Very low	115.667 Å²	115.667	115.8 Å²	115.8	71%	0.71	67%	0.673	S	S	*	*			trans	74.8	138.9	134.2	-26	0	0	0	0	120.3
2179	T	31.2	Very low	33.9	Very low	115 Å²	115	116.1 Å²	116.1	71%	0.706	67%	0.669	S	S	*	*				101.5	125.3	125.4	-14.6	0	0	0	0	116.1
2180	T	31.8	Very low	33.9	Very low	114.667 Å²	114.667	117.9 Å²	117.9	70%	0.703	67%	0.671	S	S	*	*			trans	-154.9	138.3	137	6.7	0	0	0	0	113.7	T2182	T2180-T2182 HydrophobicContact CG2-CG2 4.26Å
2181	T	33.1	Very low	33.9	Very low	123 Å²	123	112.9 Å²	112.9	76%	0.755	66%	0.659	S	S	*	*				-162.9	122.6	129.3	19.2	0	0	0	0	113.2
2182	T	33.3	Very low	33.8	Very low	108.333 Å²	108.333	112.5 Å²	112.5	67%	0.665	66%	0.658	S	S	*	*				-41.3	147.8	111.9	36.2	0	0	0	0	113.6	T2180	T2180-T2182 HydrophobicContact CG2-CG2 4.26Å
2183	T	32.9	Very low	33.9	Very low	112.333 Å²	112.333	116.1 Å²	116.1	69%	0.689	67%	0.665	S	S	*	*			cis	160.5	158.9	35.4	17.8	0	0	0	0	114.3
2184	N	35	Very low	33.7	Very low	108 Å²	108	114.9 Å²	114.9	58%	0.578	66%	0.661	S	S	*	*				100.8	155.9	128.8	-96.9	5.1	0	0	0	118	G1913 I1914	G1913-N2184 CarbonylContact C-O 2.81Å; G1913-N2184 CarbonylContact O-C 3.23Å; I1914-N2184 VanDerWaalsContact N-C 3.31Å; I1914-N2184 PolarHBondContact N-O 3.3Å; I1914-N2184 CarbonylContact O-C 3.57Å; I1914-N2184 WeakPolarHBondContact O-CA 3.44Å
2185	N	35.6	Very low	33.6	Very low	88.6667 Å²	88.6667	117.3 Å²	117.3	47%	0.474	67%	0.67	S	S	.	*			trans	103.3	82.6	143	-47.1	-38.1	0	0	0	121.1	S1790 Q1791 Q1792 G1913 I1914	S1790-N2185 WeakPolarHBondContact CB-OD1 3.4Å; S1790-N2185 WeakPolarHBondContact OG-CA 3.2Å; S1790-N2185 PolarHBondContact OG-N 3.36Å; Q1791-N2185 CarbonylContact C-O 3.25Å; Q1791-N2185 VanDerWaalsContact C-O 3.25Å; Q1791-N2185 VanDerWaalsContact CA-O 3.29Å; Q1791-N2185 WeakPolarHBondContact CA-O 2.94Å; Q1791-N2185 PolarHBondContact N-OD1 2.85Å; Q1791-N2185 PolarHBondContact O-ND2 3.18Å; Q1791-N2185 PolarHBondContact O-OD1 3.42Å; Q1792-N2185 PolarHBondContact N-O 2.94Å; G1913-N2185 CarbonylContact C-O 3.3Å; G1913-N2185 CarbonylContact O-C 2.81Å; G1913-N2185 VanDerWaalsContact O-CA 3.26Å; G1913-N2185 WeakPolarHBondContact O-CA 3.06Å; G1913-N2185 PolarHBondContact O-ND2 2.87Å; I1914-N2185 PolarHBondContact O-N 2.79Å
2186	N	35.4	Very low	33.6	Very low	110.333 Å²	110.333	116.6 Å²	116.6	59%	0.59	67%	0.67	S	S	*	*			trans	95.7	176.6	130.6	-84	-31.7	0	0	0	114.7	N1789 S1790 I1914 S1915	N1789-N2186 PolarHBondContact ND2-ND2 3.42Å; S1790-N2186 WeakPolarHBondContact O-CB 3.43Å; S1790-N2186 PolarHBondContact O-ND2 3.15Å; S1790-N2186 PolarHBondContact OG-N 3.44Å; I1914-N2186 WeakPolarHBondContact CA-O 3.32Å; S1915-N2186 VanDerWaalsContact OG-C 3.28Å; S1915-N2186 WeakPolarHBondContact OG-CA 3.43Å; S1915-N2186 PolarHBondContact OG-N 3.21Å; S1915-N2186 VanDerWaalsContact OG-N 3.14Å
2187	N	36.8	Very low	33.7	Very low	120.333 Å²	120.333	118.3 Å²	118.3	64%	0.643	67%	0.673	S	S	*	*			cis	169.7	153.2	21.8	-152.3	30.4	0	0	0	112.5	S1790 Q1791	S1790-N2187 PolarHBondContact O-OD1 2.78Å; Q1791-N2187 HydrophobicContact CG-CB 4.1Å; Q1791-N2187 WeakPolarHBondContact CG-ND2 3.38Å
2188	S	35.4	Very low	33.7	Very low	79.3333 Å²	79.3333	116.4 Å²	116.4	56%	0.555	67%	0.672	S	S	*	*			trans	88.3	132.3	135.6	-99.3	0	0	0	0	118.7
2189	D	35	Very low	34	Very low	121 Å²	121	118.4 Å²	118.4	65%	0.647	68%	0.675	S	S	*	*				50.8	144	124.8	-53	-57.3	0	0	0	122.6
2190	N	34.2	Very low	34.8	Very low	138.333 Å²	138.333	117.7 Å²	117.7	74%	0.74	67%	0.673	S	S	*	*			cis	166.8	151.7	36.7	-109.2	-34.9	0	0	0	113.2
2191	S	34.1	Very low	35.2	Very low	83.6667 Å²	83.6667	118.8 Å²	118.8	59%	0.585	67%	0.673	S	S	*	*			trans	99.6	132.9	131.6	-62.6	0	0	0	0	115.9
2192	N	32.6	Very low	35.5	Very low	134.333 Å²	134.333	119.9 Å²	119.9	72%	0.718	67%	0.67	S	S	*	*				90.9	149.2	96.2	-76.7	-9	0	0	0	117.1
2193	H	32	Very low	35.9	Very low	164.667 Å²	164.667	121 Å²	121	76%	0.762	67%	0.667	S	S	*	*				93.8	137.2	108.3	-92.9	-53	0	0	0	118.4
2194	S	31.8	Very low	36.2	Very low	86 Å²	86	124 Å²	124	60%	0.601	67%	0.668	S	S	*	*			trans	110.3	148.1	153.2	67.7	0	0	0	0	119.4
2195	N	32.1	Very low	36.4	Very low	144.667 Å²	144.667	125.5 Å²	125.5	77%	0.774	67%	0.671	S	S	*	*			trans	81.6	147.7	149.9	-61.3	-18.7	0	0	0	118.4
2196	V	34.7	Very low	36.5	Very low	118.333 Å²	118.333	128.3 Å²	128.3	72%	0.717	68%	0.681	S	S	*	*			cis	171.3	143.8	46.7	151.9	0	0	0	0	114.4
2197	I	36.3	Very low	36.7	Very low	151.333 Å²	151.333	127.4 Å²	127.4	78%	0.776	68%	0.684	S	S	*	*			trans	64.6	144.2	164.6	-76.5	165.7	0	0	0	119
2198	C	34	Very low	36.8	Very low	107 Å²	107	129.2 Å²	129.2	72%	0.723	69%	0.688	S	S	*	*				168	142	122.5	-104.2	0	0	0	0	112.9
2199	M	37.2	Very low	36.8	Very low	156.667 Å²	156.667	132 Å²	132	77%	0.772	70%	0.696	S	S	*	*			cis	76.4	151.4	40.1	-69.6	-93.1	91	0	0	116.5
2200	P	47.4	Very low	36.7	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	70%	0.704	S	S	*	*			cis	-128.6	-166.5	-8.7	30.7	-7.7	0	0	0	114.5
2201	L	40	Very low	36.8	Very low	138 Å²	138	128.1 Å²	128.1	72%	0.723	70%	0.699	S	S	*	*				144	140.7	105.6	-89.9	127.7	0	0	0	115.4
2202	Q	40.7	Very low	37	Very low	146.5 Å²	146.5	131.9 Å²	131.9	69%	0.685	71%	0.709	S	S	*	*				116.9	134.6	68.7	-118.3	175.7	-4.9	0	0	117.3
2203	Q	39.9	Very low	37	Very low	129.5 Å²	129.5	133.7 Å²	133.7	61%	0.605	71%	0.711	S	S	*	*				124.9	163.4	75.9	-87.2	170.9	-115.4	0	0	110.7
2204	Y	39.5	Very low	37.2	Very low	177 Å²	177	133.4 Å²	133.4	69%	0.694	71%	0.71	S	S	*	*			cis	-162.1	175.4	-4.1	-111.2	174.9	0	0	0	105.4
2205	Q	40.1	Very low	37.3	Very low	138 Å²	138	135.7 Å²	135.7	65%	0.645	71%	0.711	S	S	*	*			cis	-157.7	156.2	-0.6	-115.7	172.1	-63.3	0	0	105.5
2206	Q	37.6	Very low	37.5	Very low	148 Å²	148	135.6 Å²	135.6	69%	0.692	71%	0.706	S	S	*	*			cis	122.1	135.5	33	-180	172.1	34.1	0	0	111.4
2207	S	38.9	Very low	37.3	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	71%	0.71	S	S	*	*				126.3	164.6	83.8	-101.6	0	0	0	0	117.5
2208	Q	39.1	Very low	37.6	Very low	157 Å²	157	135.8 Å²	135.8	73%	0.734	71%	0.705	S	S	*	*				129.6	154.7	62.8	-71.3	-111.4	46.8	0	0	111.3
2209	L	34.8	Very low	37.6	Very low	140 Å²	140	137.4 Å²	137.4	73%	0.733	71%	0.705	S	S	*	*			cis	-176.6	156.2	-22.5	-162.6	81.8	0	0	0	107.5
2210	S	34.7	Very low	37.4	Very low	114 Å²	114	137 Å²	137	80%	0.797	70%	0.701	S	S	*	*			trans	28.9	141.4	160.1	-119.4	0	0	0	0	119.7
2211	G	36.2	Very low	36.7	Very low	62 Å²	62	139.4 Å²	139.4	64%	0.639	70%	0.703	S	S	*	*				-178.1	146.4	70.4	0	0	0	0	0	111.2
2212	M	37.1	Very low	36.4	Very low	164 Å²	164	142.1 Å²	142.1	81%	0.808	71%	0.705	S	S	*	*				61.4	134.7	120.2	-56.2	-143.6	-55	0	0	114.3
2213	K	32.3	Very low	36	Very low	172 Å²	172	141.3 Å²	141.3	75%	0.748	71%	0.71	S	S	*	*			cis	130	125.7	20.5	-98.4	-175.2	177.5	179.9	0	110.9
2214	Q	36.5	Very low	35.7	Very low	157.5 Å²	157.5	138.1 Å²	138.1	74%	0.736	71%	0.712	S	S	*	*			trans	128.4	150.2	142	-86.4	164.7	7.2	0	0	111
2215	Q	34.4	Very low	35.5	Very low	136 Å²	136	138.1 Å²	138.1	64%	0.636	72%	0.719	S	S	*	*			cis	145.3	141.3	39.4	-106.8	168.3	-72.4	0	0	112.4
2216	Q	35.2	Very low	35.2	Very low	142.5 Å²	142.5	139.6 Å²	139.6	67%	0.666	73%	0.725	S	S	*	*			trans	44.6	141.7	131.6	-72.2	161.8	-27.6	0	0	115.8
2217	Q	32.6	Very low	35.4	Very low	171.5 Å²	171.5	137.8 Å²	137.8	80%	0.801	73%	0.728	S	S	*	*			cis	131.4	167.7	16	-89.3	-175.1	-19.3	0	0	110.6
2218	P	40.6	Very low	35.3	Very low	102.5 Å²	102.5	141.8 Å²	141.8	67%	0.666	74%	0.737	S	S	*	*				-99.7	-164.6	-124.9	35.5	-25.7	0	0	0	109.2
2219	I	34.6	Very low	35.8	Very low	140.5 Å²	140.5	139.7 Å²	139.7	72%	0.721	74%	0.737	S	S	*	*			trans	129.1	149.3	157.4	-99.8	158.3	0	0	0	112.6
2220	E	34.4	Very low	36	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.692	74%	0.738	S	S	*	*				-50.7	141	79	-93.1	129.6	-134.3	0	0	113.3
2221	E	32.3	Very low	36.3	Very low	151 Å²	151	140.8 Å²	140.8	71%	0.706	73%	0.734	S	S	*	*				81.5	140.1	61.2	-153.2	-179.9	-175.6	0	0	114.5
2222	Y	33.2	Very low	36.3	Very low	195 Å²	195	144.3 Å²	144.3	77%	0.765	74%	0.738	S	S	*	*			trans	52.1	120.7	168.5	-81	-120.5	0	0	0	119.8
2223	T	33	Very low	36.2	Very low	129 Å²	129	139.5 Å²	139.5	79%	0.791	72%	0.724	S	S	*	*				94.7	142.4	96	43.3	0	0	0	0	114.6
2224	G	33.7	Very low	36.3	Very low	62 Å²	62	139 Å²	139	64%	0.639	72%	0.724	S	S	*	*				122.4	163.5	61.9	0	0	0	0	0	114.8
2225	Q	35.3	Very low	36.3	Very low	178.5 Å²	178.5	138.3 Å²	138.3	83%	0.834	72%	0.724	S	S	*	*			trans	67.5	134.6	176.7	-47.4	-175.1	5.2	0	0	112.7
2226	H	33	Very low	36.3	Very low	169.5 Å²	169.5	138 Å²	138	79%	0.785	73%	0.727	S	S	*	*				125.8	139.8	56.7	-67.2	-74.2	0	0	0	109.5
2227	S	41.3	Very low	36.4	Very low	108.5 Å²	108.5	138.1 Å²	138.1	76%	0.759	73%	0.731	S	S	*	*			cis	-153.9	167.3	17.3	-70.8	0	0	0	0	111.2
2228	E	36.6	Very low	36.5	Very low	176 Å²	176	133.1 Å²	133.1	82%	0.822	73%	0.726	S	S	*	*			trans	-64.2	163.1	158.4	-54.3	176.5	139.3	0	0	110.1
2229	P	51.2	Low	36.2	Very low	113.5 Å²	113.5	133 Å²	133	74%	0.737	73%	0.727	S	S	*	*				-125.5	161.5	75.3	21.2	-3.9	0	0	0	112.5
2230	E	38.6	Very low	36.3	Very low	161 Å²	161	133 Å²	133	75%	0.752	73%	0.728	S	S	*	*			cis	139.5	160.3	15.2	-138.5	-176.8	161.6	0	0	111.5
2231	V	39.7	Very low	36.6	Very low	117 Å²	117	132.8 Å²	132.8	71%	0.709	73%	0.729	S	S	*	*			trans	12	158.3	167.2	-73.8	0	0	0	0	116.9
2232	D	36.7	Very low	36.8	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	73%	0.728	S	S	*	*			cis	-146.9	157.3	9.6	-133.9	-14.9	0	0	0	110.8
2233	A	35.6	Very low	36.8	Very low	62.5 Å²	62.5	131.5 Å²	131.5	52%	0.517	73%	0.726	S	S	.	*				43.5	143.7	113.7	0	0	0	0	0	117.7
2234	H	34.9	Very low	36.9	Very low	162 Å²	162	131.7 Å²	131.7	75%	0.75	72%	0.718	S	S	*	*				111.1	154.7	90.2	-77.3	-52	0	0	0	110.4
2235	L	36.4	Very low	36.9	Very low	142 Å²	142	135.3 Å²	135.3	74%	0.743	72%	0.721	S	S	*	*				128.4	145.6	62.7	-92.7	166.9	0	0	0	112.9
2236	N	33.8	Very low	36.8	Very low	130.5 Å²	130.5	132.1 Å²	132.1	70%	0.698	71%	0.71	S	S	*	*				133.3	-176.4	61.3	-140.2	-6.6	0	0	0	111	G2238	N2236-G2238 PolarHBondContact O-N 3.37Å
2237	I	36.2	Very low	36.8	Very low	144.5 Å²	144.5	130.9 Å²	130.9	74%	0.741	71%	0.705	S	S	*	*				-55.4	114.7	66.7	-58.4	160	0	0	0	108.8
2238	G	35.3	Very low	36.3	Very low	67.5 Å²	67.5	133.1 Å²	133.1	70%	0.696	70%	0.703	S	S	*	*			cis	95.4	170.1	47.9	0	0	0	0	0	110.8	N2236	N2236-G2238 PolarHBondContact O-N 3.37Å
2239	S	33.4	Very low	36.1	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	69%	0.69	S	S	*	*				133.2	171.3	-96.3	-149	0	0	0	0	113.1
2240	I	37.3	Very low	35.3	Very low	141 Å²	141	129.4 Å²	129.4	72%	0.723	68%	0.679	S	S	*	*			trans	55.6	107.1	154.4	-67.3	156	0	0	0	115.9
2241	I	40.3	Very low	35	Very low	142.5 Å²	142.5	127.3 Å²	127.3	73%	0.731	67%	0.672	S	S	*	*			cis	143.7	164	39.4	-119.5	157.3	0	0	0	109
2242	N	36.9	Very low	34.9	Very low	126 Å²	126	127.7 Å²	127.7	67%	0.674	67%	0.674	S	S	*	*				150.1	-171	96.7	-119.9	-5.5	0	0	0	113.9
2243	R	33.5	Very low	34.8	Very low	193.5 Å²	193.5	127 Å²	127	73%	0.73	67%	0.671	S	S	*	*				132.2	143.6	128.5	-72.8	173.8	166.6	-112.1	6.9	110.7
2244	Q	34.1	Very low	34.8	Very low	133.5 Å²	133.5	132.5 Å²	132.5	62%	0.624	68%	0.683	S	S	*	*				125.4	161.2	73	-93.7	170.6	-85.4	0	0	111.2
2245	I	34	Very low	34.6	Very low	136 Å²	136	131.9 Å²	131.9	70%	0.697	69%	0.685	S	S	*	*				55.6	110.5	79.9	-63.7	172	0	0	0	115.4
2246	N	33.4	Very low	34.5	Very low	112.5 Å²	112.5	132.5 Å²	132.5	60%	0.602	68%	0.684	S	S	*	*				119.4	148	80	-94.1	24.5	0	0	0	117.2
2247	E	33.3	Very low	34.4	Very low	144.5 Å²	144.5	131.3 Å²	131.3	68%	0.675	68%	0.681	S	S	*	*				49.1	122.5	123.9	-59.1	172	143.4	0	0	120	Q2249	E2247-Q2249 PolarHBondContact O-NE2 3.2Å
2248	Q	31	Very low	34.2	Very low	155 Å²	155	131.7 Å²	131.7	72%	0.724	69%	0.685	S	S	*	*				-155.5	158.9	89.4	-96	-178.4	-23.7	0	0	111
2249	Q	33.3	Very low	34.3	Very low	117.5 Å²	117.5	133.2 Å²	133.2	55%	0.549	68%	0.682	S	S	.	*				129.1	143.2	-129.4	-87.5	171.6	68.8	0	0	113.6	E2247	E2247-Q2249 PolarHBondContact O-NE2 3.2Å
2250	N	33.8	Very low	34.1	Very low	94 Å²	94	133.8 Å²	133.8	50%	0.503	68%	0.678	S	S	.	*				147.6	151.4	78.4	-108.2	-5.8	0	0	0	113.6
2251	L	32.6	Very low	33.8	Very low	116.5 Å²	116.5	132.3 Å²	132.3	61%	0.61	67%	0.667	S	S	*	*			cis	118.1	128.5	30.1	-103.5	170.6	0	0	0	108.3
2252	V	36.7	Very low	33.5	Very low	124.5 Å²	124.5	131.8 Å²	131.8	76%	0.755	66%	0.662	S	S	*	*				-172.7	142.6	88.8	153.2	0	0	0	0	110.6
2253	N	35.8	Very low	33.3	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	66%	0.662	S	S	*	*			trans	-14.8	148	161.3	-53.1	-49.6	0	0	0	118.9
2254	K	35.2	Very low	33.2	Very low	179.5 Å²	179.5	130.3 Å²	130.3	78%	0.78	66%	0.658	S	S	*	*				-70.4	134.3	73.8	-86.6	168.4	177.8	-173.4	0	112.9
2255	L	31	Very low	33.1	Very low	149.5 Å²	149.5	130.8 Å²	130.8	78%	0.783	66%	0.661	S	S	*	*				117	117.3	79.2	-87.3	169.2	0	0	0	113.9
2256	Q	32.8	Very low	33.2	Very low	154.5 Å²	154.5	131.2 Å²	131.2	72%	0.722	66%	0.66	S	S	*	*			trans	119.2	96.9	147.3	-130.5	58.1	48.2	0	0	115.2
2257	T	33.5	Very low	33.3	Very low	104 Å²	104	132.9 Å²	132.9	64%	0.638	66%	0.664	S	S	*	*				53	111.2	120.8	60.5	0	0	0	0	118.2
2258	D	30.3	Very low	33.4	Very low	154.5 Å²	154.5	135.2 Å²	135.2	83%	0.826	67%	0.668	S	S	*	*				70.7	163.9	116	-106.1	-17.1	0	0	0	115.6
2259	P	37.4	Very low	33.6	Very low	99 Å²	99	133.3 Å²	133.3	64%	0.643	66%	0.662	S	S	*	*				-129.1	-173.2	-59	41.1	-23	0	0	0	114.4
2260	N	29.4	Very low	34.2	Very low	112.5 Å²	112.5	132 Å²	132	60%	0.602	66%	0.664	S	S	*	*			trans	64.5	141.4	147.6	-84.7	-24.7	0	0	0	121.7
2261	H	32.4	Very low	34.3	Very low	109 Å²	109	135.5 Å²	135.5	51%	0.505	68%	0.675	S	S	.	*			trans	86.7	115.2	144.3	-103.5	10.9	0	0	0	119.2
2262	H	32.7	Very low	34.5	Very low	132.5 Å²	132.5	138.7 Å²	138.7	61%	0.613	68%	0.68	S	S	*	*			trans	67.1	138.1	141.5	-84.5	7.4	0	0	0	119.7
2263	H	32.4	Very low	34.5	Very low	146 Å²	146	139.1 Å²	139.1	68%	0.676	68%	0.678	S	S	*	*				-166.1	157.9	63.2	-118.7	39.1	0	0	0	108.3
2264	Q	31.6	Very low	34.6	Very low	140.5 Å²	140.5	138.9 Å²	138.9	66%	0.657	68%	0.683	S	S	*	*				131.4	157.4	85.7	-111.1	177.1	61.1	0	0	114.6
2265	Q	33	Very low	34.5	Very low	144.5 Å²	144.5	134.8 Å²	134.8	68%	0.675	68%	0.677	S	S	*	*				140.7	145.4	83.1	-78.7	170.6	33.9	0	0	111.9
2266	Q	36	Very low	34.5	Very low	145 Å²	145	136.9 Å²	136.9	68%	0.678	68%	0.68	S	S	*	*				130	145.2	73.8	-54.2	-85.2	-4.2	0	0	115.4
2267	H	34.7	Very low	34.3	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.685	68%	0.681	S	S	*	*				130	146.6	90.3	-89.4	-95.7	0	0	0	116
2268	Y	35.8	Very low	34.2	Very low	192.5 Å²	192.5	134.7 Å²	134.7	76%	0.755	69%	0.686	S	S	*	*				127.9	129.5	63.1	-114.4	-121.2	0	0	0	113.8
2269	N	36.1	Very low	34.1	Very low	115 Å²	115	133.2 Å²	133.2	62%	0.615	68%	0.682	S	S	*	*				45.7	156.1	85.6	-126.4	7.3	0	0	0	119
2270	P	44.3	Very low	33.8	Very low	90.5 Å²	90.5	137.4 Å²	137.4	59%	0.588	69%	0.69	S	S	*	*			cis	-129.2	165.7	-5.4	24.6	0.3	0	0	0	115.1	Y2272	P2270-Y2272 HydrophobicContact CB-CD2 4.42Å
2271	F	36.8	Very low	33.8	Very low	168 Å²	168	140.1 Å²	140.1	74%	0.737	70%	0.699	S	S	*	*				139.4	164.8	79.2	-75.1	-97.8	0	0	0	114.9
2272	Y	36.1	Very low	33.6	Very low	182.5 Å²	182.5	139.2 Å²	139.2	72%	0.716	71%	0.705	S	S	*	*			cis	144.8	142.3	19.6	-105.1	-41.6	0	0	0	112.8	P2270	P2270-Y2272 HydrophobicContact CB-CD2 4.42Å
2273	L	36.2	Very low	33.6	Very low	133 Å²	133	143.7 Å²	143.7	70%	0.696	72%	0.718	S	S	*	*				-106.2	145.4	75.3	-113.1	156.6	0	0	0	111.5
2274	P	39	Very low	33.5	Very low	117 Å²	117	140.3 Å²	140.3	76%	0.76	72%	0.715	S	S	*	*			trans	-123.4	152.2	134.3	37.1	-28.5	0	0	0	115.1
2275	S	33.5	Very low	33.5	Very low	92 Å²	92	142.7 Å²	142.7	64%	0.643	73%	0.726	S	S	*	*			trans	-125.9	138.4	155.6	-63.2	0	0	0	0	112.9
2276	K	29.8	Very low	33.4	Very low	194 Å²	194	140.3 Å²	140.3	84%	0.843	73%	0.726	S	S	*	*			trans	112.5	147.3	135	-76.6	166	-171.7	176.7	0	116.8
2277	S	29.2	Very low	33.4	Very low	108 Å²	108	138 Å²	138	76%	0.755	73%	0.725	S	S	*	*				118.2	161.5	52.6	64.4	0	0	0	0	116.5
2278	S	31	Very low	33.4	Very low	105.5 Å²	105.5	137.2 Å²	137.2	74%	0.738	73%	0.726	S	S	*	*			trans	74.7	127.3	174.6	-136.1	0	0	0	0	114
2279	V	29.5	Very low	33.5	Very low	123 Å²	123	132.3 Å²	132.3	75%	0.745	72%	0.72	S	S	*	*			cis	79.5	106.1	32.6	-174.8	0	0	0	0	114
2280	K	30.8	Very low	33.5	Very low	185.5 Å²	185.5	135.3 Å²	135.3	81%	0.807	73%	0.73	S	S	*	*			trans	139.8	145.3	137.7	-98.7	178.6	177.8	-173.2	0	116.8
2281	H	29.8	Very low	33.2	Very low	170 Å²	170	135 Å²	135	79%	0.787	73%	0.731	S	S	*	*			trans	-2.3	159.3	159.9	-71.4	-80.6	0	0	0	115.2
2282	S	28.3	Very low	33.3	Very low	91 Å²	91	135.2 Å²	135.2	64%	0.636	73%	0.734	S	S	*	*				148.1	140.2	63.4	-78	0	0	0	0	114.5
2283	Y	31	Very low	33.4	Very low	226 Å²	226	133.4 Å²	133.4	89%	0.886	74%	0.736	S	S	*	*			trans	76.8	139.1	158.3	-75	-102.9	0	0	0	119.2
2284	A	31.3	Very low	33.5	Very low	74 Å²	74	133.7 Å²	133.7	61%	0.612	74%	0.738	S	S	*	*				130.9	146.5	60.5	0	0	0	0	0	116.5
2285	Q	32.3	Very low	33.4	Very low	191.5 Å²	191.5	134.9 Å²	134.9	90%	0.895	74%	0.738	S	S	*	*			trans	65.4	150.9	152.6	-71.4	170.8	-16	0	0	117.2
2286	S	30.8	Very low	33.6	Very low	94.5 Å²	94.5	137.7 Å²	137.7	66%	0.661	75%	0.745	S	S	*	*			cis	-165.6	166	-16.5	-177.8	0	0	0	0	108.1
2287	S	35.1	Very low	33.9	Very low	96 Å²	96	134.9 Å²	134.9	67%	0.671	74%	0.739	S	S	*	*			trans	56.9	125	161.6	45.2	0	0	0	0	118.8
2288	D	35.5	Very low	34.2	Very low	132 Å²	132	136 Å²	136	71%	0.706	74%	0.735	S	S	*	*			cis	119.9	136.7	23.3	-87.3	-55.2	0	0	0	110.5	K2126	K2126-D2288 IonicContact NZ-OD1 2.68Å; K2126-D2288 PolarHBondContact NZ-OD1 3.36Å; K2126-D2288 IonicContact NZ-OD2 2.95Å; K2126-D2288 PolarHBondContact NZ-OD2 3.13Å
2289	S	36.2	Very low	34.4	Very low	89.5 Å²	89.5	138 Å²	138	63%	0.626	73%	0.733	S	S	*	*				-169.5	148.5	55.9	49.6	0	0	0	0	111.8
2290	Q	36.4	Very low	34.8	Very low	178 Å²	178	139 Å²	139	83%	0.832	73%	0.729	S	S	*	*			trans	69	148.7	147.4	-67.7	-177.3	55	0	0	119.3
2291	S	38.3	Very low	34.9	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	73%	0.726	S	S	*	*			cis	-156.1	149.9	0.7	31.4	0	0	0	0	113.2
2292	Q	38.3	Very low	35	Very low	172 Å²	172	133.3 Å²	133.3	80%	0.804	72%	0.72	S	S	*	*			trans	61.7	136.9	147.3	-64.3	166.9	24.9	0	0	118.6
2293	L	38.9	Very low	35.1	Very low	143 Å²	143	138.1 Å²	138.1	75%	0.749	73%	0.729	S	S	*	*			cis	-150.2	-159.4	4.4	-121.7	167.4	0	0	0	110.5
2294	N	39.3	Very low	35.1	Very low	141 Å²	141	134.6 Å²	134.6	75%	0.754	73%	0.725	S	S	*	*				135.9	135.4	85.4	-109.2	-11.7	0	0	0	115.7
2295	N	36.5	Very low	34.9	Very low	140.5 Å²	140.5	135.8 Å²	135.8	75%	0.751	73%	0.729	S	S	*	*			trans	-106.2	159.7	165.8	-101.2	-46.1	0	0	0	111.1
2296	L	37.2	Very low	34.9	Very low	151 Å²	151	133.8 Å²	133.8	79%	0.791	72%	0.722	S	S	*	*				-169	123.7	-104.3	-166.1	77.1	0	0	0	107.4
2297	L	36.4	Very low	35	Very low	136.5 Å²	136.5	137.3 Å²	137.3	72%	0.715	73%	0.729	S	S	*	*			cis	131.6	152.9	26.3	-134.4	58.8	0	0	0	110.5
2298	L	36.2	Very low	34.8	Very low	130.5 Å²	130.5	139 Å²	139	68%	0.683	73%	0.73	S	S	*	*				141.5	163.7	71.3	-148.4	61	0	0	0	116.8
2299	H	35.3	Very low	34.9	Very low	146.5 Å²	146.5	138.7 Å²	138.7	68%	0.678	73%	0.728	S	S	*	*			trans	65.4	117.6	159.6	-80.8	48	0	0	0	120.4
2300	Q	36.1	Very low	35.1	Very low	144 Å²	144	140.6 Å²	140.6	67%	0.673	73%	0.732	S	S	*	*				44.6	134.2	70.9	-121	-159.5	83.2	0	0	117
2301	Q	33.8	Very low	35.3	Very low	158.5 Å²	158.5	138.4 Å²	138.4	74%	0.741	73%	0.726	S	S	*	*			trans	92.3	145.4	150.5	-63.1	-171.4	22.8	0	0	118.2
2302	A	31.9	Very low	35.3	Very low	79 Å²	79	141.1 Å²	141.1	65%	0.653	73%	0.733	S	S	*	*			cis	125.1	134	41.7	0	0	0	0	0	116.7
2303	K	31.2	Very low	35.5	Very low	190.5 Å²	190.5	139.8 Å²	139.8	83%	0.828	73%	0.732	S	S	*	*			trans	57.8	139.7	147.4	-73.9	-178.2	175.2	178.9	0	119.7
2304	L	29.7	Very low	35.5	Very low	153.5 Å²	153.5	142.1 Å²	142.1	80%	0.804	74%	0.736	S	S	*	*			trans	47.6	133.6	137.5	-59	168.5	0	0	0	118
2305	S	28.2	Very low	35.8	Very low	99.5 Å²	99.5	140.6 Å²	140.6	70%	0.696	73%	0.734	S	S	*	*				73.1	115.8	110.4	-116.8	0	0	0	0	117.6
2306	I	31	Very low	36.1	Very low	148.5 Å²	148.5	138.6 Å²	138.6	76%	0.762	73%	0.728	S	S	*	*			trans	89.4	138.9	148	-62.4	165.3	0	0	0	117.3
2307	Q	32.8	Very low	36	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	73%	0.726	S	S	*	*			trans	69.3	121.6	168.1	-81.1	171.2	7.6	0	0	119.7
2308	N	32.3	Very low	35.8	Very low	132 Å²	132	136.2 Å²	136.2	71%	0.706	72%	0.724	S	S	*	*			cis	-173.1	150.2	36.6	-122.8	-19.8	0	0	0	109.4
2309	N	37.8	Very low	35.9	Very low	124 Å²	124	136.6 Å²	136.6	66%	0.663	73%	0.727	S	S	*	*				80.6	142.1	112.7	-68.7	-32	0	0	0	115.8
2310	N	39.3	Very low	36	Very low	131 Å²	131	136.9 Å²	136.9	70%	0.701	73%	0.729	S	S	*	*				135.5	146	-98.6	-83.5	-20.3	0	0	0	113.1
2311	N	40.3	Very low	36	Very low	131.5 Å²	131.5	136.2 Å²	136.2	70%	0.703	73%	0.729	S	S	*	*				131	125.2	72.1	-79.2	-16	0	0	0	112.8
2312	N	39.6	Very low	36.2	Very low	141 Å²	141	136.7 Å²	136.7	75%	0.754	73%	0.728	S	S	*	*				-108.5	165	77.7	-90.3	-43.2	0	0	0	110.9
2313	N	41.5	Very low	36.7	Very low	144.5 Å²	144.5	138.4 Å²	138.4	77%	0.773	73%	0.731	S	S	*	*			trans	117.5	116.1	149.6	-74.2	-25.3	0	0	0	114.6
2314	K	39.8	Very low	36.9	Very low	192 Å²	192	134.5 Å²	134.5	84%	0.835	73%	0.728	S	S	*	*			cis	108.4	161.6	42.4	-100.3	-166.7	172.6	-177	0	112.5
2315	P	44.2	Very low	37.5	Very low	109 Å²	109	132.3 Å²	132.3	71%	0.708	72%	0.723	S	S	*	*				-111.3	-153	-104.3	39.4	-27	0	0	0	110.9
2316	P	43.6	Very low	37.8	Very low	99 Å²	99	135.2 Å²	135.2	64%	0.643	73%	0.725	S	S	*	*			cis	-137.7	-161	-47.5	43.4	-22.6	0	0	0	115.5
2317	N	34.2	Very low	37.9	Very low	139.5 Å²	139.5	134.6 Å²	134.6	75%	0.746	72%	0.722	S	S	*	*			trans	79.4	121.2	152.4	-71.9	-6.5	0	0	0	119.6
2318	S	32.3	Very low	37.9	Very low	96.5 Å²	96.5	132.6 Å²	132.6	68%	0.675	72%	0.716	S	S	*	*				83.8	164.1	92.7	80.8	0	0	0	0	117.9
2319	L	39.8	Very low	37.9	Very low	139.5 Å²	139.5	133.1 Å²	133.1	73%	0.73	71%	0.714	S	S	*	*			trans	73.8	129.2	-175.1	-49.6	178.4	0	0	0	113.5
2320	Q	36	Very low	37.6	Very low	153.5 Å²	153.5	138.3 Å²	138.3	72%	0.717	72%	0.724	S	S	*	*			cis	125.2	142	9.2	-94.8	-170	-7.1	0	0	108.8
2321	L	36.8	Very low	37.4	Very low	129 Å²	129	135.5 Å²	135.5	68%	0.675	73%	0.726	S	S	*	*			trans	70.2	154.9	162.4	-63.7	98.9	0	0	0	114.3
2322	F	38.7	Very low	37.1	Very low	168 Å²	168	135.5 Å²	135.5	74%	0.737	73%	0.73	S	S	*	*			cis	-143.3	153.6	11.9	-97.3	-71.9	0	0	0	112.2
2323	T	41.5	Very low	37	Very low	114.5 Å²	114.5	135.4 Å²	135.4	70%	0.702	73%	0.73	S	S	*	*			trans	53.2	123.7	147.8	55.6	0	0	0	0	119.7
2324	S	34.8	Very low	36.6	Very low	108.5 Å²	108.5	134.6 Å²	134.6	76%	0.759	73%	0.726	S	S	*	*			cis	72.8	157.3	40.5	-49.5	0	0	0	0	113.1
2325	P	43.4	Very low	36.3	Very low	109 Å²	109	132.2 Å²	132.2	71%	0.708	72%	0.719	S	S	*	*			cis	-115.6	176.1	-29.3	20.8	0.4	0	0	0	113.1
2326	E	34.1	Very low	36	Very low	159 Å²	159	133.4 Å²	133.4	74%	0.743	73%	0.725	S	S	*	*				68.4	129	101.4	-114.7	175.7	168.4	0	0	114.5
2327	I	34	Very low	35.6	Very low	137.5 Å²	137.5	134.9 Å²	134.9	71%	0.705	73%	0.727	S	S	*	*			cis	133.9	150.3	27.5	-102.9	166.6	0	0	0	111.2
2328	I	33	Very low	35.6	Very low	126 Å²	126	133.8 Å²	133.8	65%	0.646	72%	0.721	S	S	*	*			trans	69.7	140.9	158.6	-45	163.1	0	0	0	121
2329	H	31.6	Very low	35.6	Very low	143.5 Å²	143.5	140 Å²	140	66%	0.664	73%	0.73	S	S	*	*			trans	82.6	114.9	153.7	-72.3	-28.9	0	0	0	123
2330	R	32.4	Very low	35.4	Very low	232.5 Å²	232.5	138.1 Å²	138.1	88%	0.877	73%	0.728	S	S	*	*				48.7	115.5	122.9	-60.5	175.6	174.8	-154.1	-1	118.9
2331	G	34.1	Very low	35.5	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	72%	0.722	S	S	*	*			trans	-174.8	84.1	159.5	0	0	0	0	0	112.8
2332	V	34.8	Very low	35.6	Very low	130 Å²	130	140.2 Å²	140.2	79%	0.788	73%	0.733	S	S	*	*			trans	-15.7	138	133.4	-81.7	0	0	0	0	116.5
2333	N	35.7	Very low	35.4	Very low	139.5 Å²	139.5	137.8 Å²	137.8	75%	0.746	73%	0.728	S	S	*	*			trans	76.4	134.3	158.5	-55.9	-22.5	0	0	0	116.6
2334	N	34.2	Very low	35.2	Very low	127.5 Å²	127.5	137.2 Å²	137.2	68%	0.682	73%	0.728	S	S	*	*			cis	146.9	154.3	36	-158.6	11.6	0	0	0	113.3
2335	M	34	Very low	35.1	Very low	142.5 Å²	142.5	136.5 Å²	136.5	70%	0.702	72%	0.723	S	S	*	*			trans	32.4	115.8	169.8	-71.5	179.7	-68.4	0	0	118.5
2336	T	37.7	Very low	34.9	Very low	133 Å²	133	138 Å²	138	82%	0.816	72%	0.724	S	S	*	*				126.2	146	112.7	43.3	0	0	0	0	111.7
2337	N	34.1	Very low	34.9	Very low	130 Å²	130	138 Å²	138	70%	0.695	72%	0.724	S	S	*	*			cis	-178.4	164.1	-9	-171.5	5.7	0	0	0	106.3
2338	N	34.9	Very low	35	Very low	116.5 Å²	116.5	138.4 Å²	138.4	62%	0.623	73%	0.725	S	S	*	*			trans	64.6	113.9	163.2	-67	-49	0	0	0	118.9
2339	R	33	Very low	35.4	Very low	228.5 Å²	228.5	137.8 Å²	137.8	86%	0.862	72%	0.722	S	S	*	*				71.7	142.6	110.4	-73.5	-178.1	168.4	-164.1	-5.5	115.7
2340	S	35.4	Very low	35.6	Very low	98 Å²	98	138.2 Å²	138.2	69%	0.685	73%	0.729	S	S	*	*			cis	-149.3	138.1	5.3	50.9	0	0	0	0	113.7
2341	V	37.3	Very low	35.9	Very low	97.5 Å²	97.5	132 Å²	132	59%	0.591	71%	0.713	S	S	*	*				53.8	116.9	115.3	-168.8	0	0	0	0	115.3	D2343	V2341-D2343 HydrophobicContact CG1-CB 3.91Å; V2341-D2343 WeakPolarHBondContact CG1-OD2 3.24Å
2342	Y	38.6	Very low	36	Very low	229.5 Å²	229.5	135.5 Å²	135.5	90%	0.9	72%	0.715	S	S	*	*				-115.8	129.2	81.1	-88.3	-95.9	0	0	0	110.1
2343	D	34.7	Very low	36.1	Very low	118.5 Å²	118.5	135.2 Å²	135.2	63%	0.634	71%	0.709	S	S	*	*				-177.1	122.5	95.3	-135.4	-9.8	0	0	0	112.3	V2341	V2341-D2343 HydrophobicContact CG1-CB 3.91Å; V2341-D2343 WeakPolarHBondContact CG1-OD2 3.24Å
2344	S	36.7	Very low	36.1	Very low	100.5 Å²	100.5	134.5 Å²	134.5	70%	0.703	71%	0.705	S	S	*	*				120.3	118.1	121.4	-67.2	0	0	0	0	109.8
2345	S	33.7	Very low	36.2	Very low	94.5 Å²	94.5	133.2 Å²	133.2	66%	0.661	70%	0.702	S	S	*	*			cis	126.8	157	49.9	55.3	0	0	0	0	111.6
2346	L	38.4	Very low	36.3	Very low	140.5 Å²	140.5	132.3 Å²	132.3	74%	0.736	70%	0.695	S	S	*	*				140.2	126.6	104.3	-69.6	154.4	0	0	0	113.8
2347	Q	35	Very low	36.3	Very low	159 Å²	159	130.4 Å²	130.4	74%	0.743	68%	0.68	S	S	*	*				39	123.2	83	-112.7	179.3	35.7	0	0	115.3
2348	M	35.8	Very low	36.4	Very low	145.5 Å²	145.5	129.9 Å²	129.9	72%	0.717	68%	0.678	S	S	*	*				-173.4	129.6	90.9	-77.5	-77	-95	0	0	111.2
2349	I	40.7	Very low	36.6	Very low	113.5 Å²	113.5	130.2 Å²	130.2	58%	0.582	68%	0.678	S	S	*	*				60	115.8	111.8	-62.7	168	0	0	0	114	N2351	I2349-N2351 HydrophobicContact CG2-CB 3.98Å
2350	D	36.4	Very low	36.8	Very low	151.5 Å²	151.5	128.3 Å²	128.3	81%	0.81	68%	0.679	S	S	*	*				-156	147.7	62.8	-104.6	-21.2	0	0	0	105.9
2351	N	38.1	Very low	36.9	Very low	103.5 Å²	103.5	127.2 Å²	127.2	55%	0.553	68%	0.683	S	S	*	*				-137.6	141.3	-104.1	-114.7	-31.8	0	0	0	108.8	I2349 N2353	I2349-N2351 HydrophobicContact CG2-CB 3.98Å; N2351-N2353 WeakPolarHBondContact OD1-CB 3.02Å; N2351-N2353 PolarHBondContact OD1-ND2 2.88Å
2352	N	36.5	Very low	37.1	Very low	145.5 Å²	145.5	129.5 Å²	129.5	78%	0.778	69%	0.692	S	S	*	*			trans	117.6	111.6	150.8	-81.9	-16.3	0	0	0	114.5
2353	N	36.7	Very low	37.2	Very low	124 Å²	124	124.9 Å²	124.9	66%	0.663	68%	0.682	S	S	*	*				75.4	136.8	79.2	-99.9	-11.8	0	0	0	117.3	N2351	N2351-N2353 WeakPolarHBondContact OD1-CB 3.02Å; N2351-N2353 PolarHBondContact OD1-ND2 2.88Å
2354	N	37.2	Very low	37.6	Very low	126 Å²	126	126.8 Å²	126.8	67%	0.674	69%	0.687	S	S	*	*				126.1	139.5	-93.2	-108	-16.6	0	0	0	113.3
2355	T	35.5	Very low	37.8	Very low	99 Å²	99	128.2 Å²	128.2	61%	0.607	69%	0.686	S	S	*	*				66.3	125.2	108	70.6	0	0	0	0	117.4
2356	H	36.5	Very low	38.1	Very low	123.5 Å²	123.5	133.9 Å²	133.9	57%	0.572	69%	0.694	S	S	*	*				-171.6	142.5	61.3	-101.2	-41.3	0	0	0	112.3	T1833 I1834	T1833-H2356 HydrophobicContact CG2-CB 4.48Å; T1833-H2356 VanDerWaalsContact N-C 3.29Å; T1833-H2356 PolarHBondContact O-ND1 3.13Å; T1833-H2356 WeakPolarHBondContact OG1-CB 3.49Å; T1833-H2356 PolarHBondContact OG1-CD2 3.28Å; T1833-H2356 VanDerWaalsContact OG1-CG 3.24Å; I1834-H2356 HydrophobicContact CB-CB 4.48Å; I1834-H2356 VanDerWaalsContact N-CG 3.3Å; I1834-H2356 PolarHBondContact N-ND1 2.71Å; I1834-H2356 PolarHBondContact O-ND1 3.14Å; I1834-H2356 VanDerWaalsContact O-ND1 3.17Å
2357	N	37.8	Very low	38.2	Very low	92.5 Å²	92.5	136.7 Å²	136.7	50%	0.495	70%	0.697	S	S	.	*				133.2	152	66	-77.4	-23.1	0	0	0	112.4	Q1832 T1833 I1834	Q1832-N2357 WeakPolarHBondContact O-CB 3.03Å; Q1832-N2357 PolarHBondContact O-ND2 3.33Å; T1833-N2357 VanDerWaalsContact C-ND2 3.28Å; T1833-N2357 WeakPolarHBondContact CA-ND2 3.25Å; T1833-N2357 PolarHBondContact O-ND2 3.25Å; T1833-N2357 PolarHBondContact O-OD1 3.48Å; T1833-N2357 VanDerWaalsContact O-OD1 3.06Å; I1834-N2357 VanDerWaalsContact CA-CG 3.41Å; I1834-N2357 WeakPolarHBondContact CA-OD1 3.48Å; I1834-N2357 HydrophobicContact CB-CB 4.16Å; I1834-N2357 PolarHBondContact N-OD1 3.01Å
2358	N	36.4	Very low	38.7	Very low	120 Å²	120	136.5 Å²	136.5	64%	0.642	70%	0.696	S	S	*	*			cis	147.9	147.4	21.4	-154.1	13.1	0	0	0	114.2
2359	I	38.6	Very low	39.2	Very low	123 Å²	123	137.3 Å²	137.3	63%	0.631	70%	0.697	S	S	*	*			trans	67.4	113.1	158.9	-71.6	158	0	0	0	117.5
2360	Q	37.6	Very low	39.9	Very low	189.5 Å²	189.5	136.7 Å²	136.7	89%	0.886	70%	0.701	S	S	*	*			trans	42.6	123.9	148.1	-64	168.8	-40.9	0	0	120.3
2361	G	37.4	Very low	40.2	Very low	73.5 Å²	73.5	139.1 Å²	139.1	76%	0.758	70%	0.7	S	S	*	*			trans	152.2	96.3	154.9	0	0	0	0	0	117.7
2362	N	41.2	Very low	40.7	Very low	147 Å²	147	142.2 Å²	142.2	79%	0.786	71%	0.711	S	S	*	*			trans	55.5	119.9	167.2	-69.5	5.3	0	0	0	118.3	E2364	N2362-E2364 PolarHBondContact O-N 2.78Å
2363	L	40.3	Very low	41.3	Very low	133 Å²	133	141.9 Å²	141.9	70%	0.696	71%	0.709	S	S	*	*				3.9	134.7	119.9	-80.2	72.9	0	0	0	110.3	L1823	L1823-L2363 HydrophobicContact CD1-CD1 4.24Å; L1823-L2363 VanDerWaalsContact CD1-N 3.31Å
2364	E	42.4	Very low	41.9	Very low	157 Å²	157	142.6 Å²	142.6	73%	0.734	72%	0.718	S	S	*	*				-149.6	156.4	82.1	-143.1	161.2	175.1	0	0	111.7	N1820 Q1821 N2362	N1820-E2364 CarbonylContact C-O 3.55Å; Q1821-E2364 PolarHBondContact N-O 3.05Å; Q1821-E2364 CarbonylContact O-C 3.11Å; Q1821-E2364 PolarHBondContact O-N 2.84Å; N2362-E2364 PolarHBondContact O-N 2.78Å
2365	L	41.6	Very low	42.5	Very low	131 Å²	131	140.6 Å²	140.6	69%	0.686	72%	0.719	S	S	*	*			trans	-5.9	116.5	177.4	-67.9	157.2	0	0	0	117.3	Q1822 Y2367	Q1822-L2365 PolarHBondContact O-N 3.27Å; L2365-Y2367 HydrophobicContact CD2-CD2 4.04Å; L2365-Y2367 HydrophobicContact CD2-CE2 4.44Å
2366	Y	40.5	Very low	43.1	Very low	213 Å²	213	141.6 Å²	141.6	84%	0.835	73%	0.725	S	S	*	*			trans	-106.7	128.4	145.8	-110.8	-103.7	0	0	0	109.3
2367	Y	41.1	Very low	43.6	Very low	200 Å²	200	142.9 Å²	142.9	78%	0.784	74%	0.736	S	S	*	*			trans	-134.5	138.2	160.1	-123.1	-83.6	0	0	0	108.2	L2365	L2365-Y2367 HydrophobicContact CD2-CD2 4.04Å; L2365-Y2367 HydrophobicContact CD2-CE2 4.44Å
2368	Q	44.2	Very low	44	Very low	154.5 Å²	154.5	145 Å²	145	72%	0.722	75%	0.748	S	S	*	*				-4.3	149.3	117.5	-147.5	71.1	2.9	0	0	114
2369	H	46.4	Very low	44.3	Very low	162.5 Å²	162.5	149.2 Å²	149.2	75%	0.752	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-69.6	150.5	169.8	-62	-93.5	0	0	0	111.2
2370	P	55.2	Low	44.6	Very low	101 Å²	101	147.1 Å²	147.1	66%	0.656	76%	0.757	S	S	*	*	S	Bend		-102.4	162	122.5	21.6	-8.5	0	0	0	110.1
2371	Y	43.2	Very low	44.8	Very low	202 Å²	202	146.5 Å²	146.5	79%	0.792	75%	0.754	S	S	*	*			cis	-142.1	138.4	21.3	-75.3	-104.9	0	0	0	111.5
2372	E	49.4	Very low	45.1	Very low	168.5 Å²	168.5	149.1 Å²	149.1	79%	0.787	76%	0.756	S	S	*	*			trans	117.5	139.2	141.1	-71	-178.6	177.9	0	0	114
2373	D	47.5	Very low	45.1	Very low	138.5 Å²	138.5	149.3 Å²	149.3	74%	0.741	76%	0.756	S	S	*	*				177.6	131.2	98.7	-110.4	-23.9	0	0	0	114.3
2374	V	50.6	Low	44.9	Very low	140 Å²	140	147.1 Å²	147.1	85%	0.848	75%	0.753	S	S	*	*			trans	-79.4	143.6	148.9	-175.7	0	0	0	0	114.1
2375	A	49.6	Very low	44.6	Very low	84.5 Å²	84.5	147.6 Å²	147.6	70%	0.698	76%	0.755	S	S	*	*				134.2	146.5	-104.3	0	0	0	0	0	113.2
2376	T	48.7	Very low	44.6	Very low	118.5 Å²	118.5	148.4 Å²	148.4	73%	0.727	76%	0.759	S	S	*	*			trans	-19.9	150.3	168.5	48.3	0	0	0	0	116
2377	D	45.1	Very low	44.4	Very low	151 Å²	151	144.9 Å²	144.9	81%	0.807	76%	0.755	S	S	*	*				66.9	99	89.3	-92.3	-9.6	0	0	0	116
2378	D	46.9	Very low	44.1	Very low	136.5 Å²	136.5	140 Å²	140	73%	0.73	75%	0.749	S	S	*	*			trans	-163	125.5	137.7	-108.1	-13.1	0	0	0	112.4
2379	Y	42.7	Very low	43.6	Very low	209 Å²	209	138.5 Å²	138.5	82%	0.82	75%	0.751	S	S	*	*			trans	37.8	130.2	152.6	-69.9	-95.6	0	0	0	123.2
2380	A	45.9	Very low	43.1	Very low	79 Å²	79	135.7 Å²	135.7	65%	0.653	75%	0.749	S	S	*	*				58.5	137.5	91.7	0	0	0	0	0	116.1
2381	E	40.6	Very low	42.3	Very low	175.5 Å²	175.5	137.8 Å²	137.8	82%	0.82	75%	0.754	S	S	*	*			cis	130.7	146.7	32.1	-106.2	-171.3	-177.6	0	0	111.9
2382	T	44.8	Very low	42.1	Very low	129 Å²	129	135 Å²	135	79%	0.791	75%	0.748	S	S	*	*			trans	129.3	130	147.1	48.2	0	0	0	0	111.7
2383	N	40.4	Very low	41.6	Very low	150.5 Å²	150.5	133.5 Å²	133.5	81%	0.805	74%	0.741	S	S	*	*			cis	140.3	154.6	10.2	-134.2	-20.9	0	0	0	111.4
2384	S	36.6	Very low	41.1	Very low	88.5 Å²	88.5	132.3 Å²	132.3	62%	0.619	74%	0.735	S	S	*	*			trans	-98.6	154.9	-166.7	55.7	0	0	0	0	112.9
2385	Q	36.7	Very low	40.6	Very low	167 Å²	167	132.3 Å²	132.3	78%	0.78	73%	0.725	S	S	*	*			trans	135	158.1	150.5	-78.5	173	55.2	0	0	116.9
2386	L	41.1	Very low	40	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	72%	0.715	S	S	*	*			trans	64.3	113.8	165.1	-52.9	172	0	0	0	116.2
2387	N	35.3	Very low	39.5	Very low	139 Å²	139	133 Å²	133	74%	0.743	71%	0.712	S	S	*	*			cis	72.6	124.9	44.7	-166.2	26.7	0	0	0	114.5
2388	C	34.6	Very low	39.1	Very low	96.5 Å²	96.5	130.4 Å²	130.4	65%	0.652	70%	0.698	S	S	*	*			trans	121.5	114.4	151.4	-80.6	0	0	0	0	115.6
2389	T	34.8	Very low	38.7	Very low	124.5 Å²	124.5	130.5 Å²	130.5	76%	0.764	69%	0.694	S	S	*	*				62.7	138.1	114.1	61.7	0	0	0	0	120.6
2390	S	36.2	Very low	38.5	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	68%	0.684	S	S	*	*			trans	89.8	124	152.7	80.3	0	0	0	0	118.9
2391	L	38.3	Very low	38.1	Very low	146.5 Å²	146.5	126.7 Å²	126.7	77%	0.767	68%	0.683	S	S	*	*				71.7	127.5	104.4	-70.6	163.7	0	0	0	117.7
2392	Q	38.3	Very low	37.8	Very low	142.5 Å²	142.5	125 Å²	125	67%	0.666	68%	0.679	S	S	*	*				137	138.2	62.5	-129.8	175.7	4.7	0	0	118
2393	Q	38.2	Very low	37.2	Very low	136 Å²	136	123.3 Å²	123.3	64%	0.636	67%	0.673	S	S	*	*			trans	61.2	136.2	149.5	-70.8	173.5	9	0	0	120.9
2394	N	38.4	Very low	37	Very low	114.5 Å²	114.5	126.2 Å²	126.2	61%	0.612	67%	0.674	S	S	*	*			cis	158.7	137.9	39.6	-128.2	-23.1	0	0	0	109.9
2395	Q	39.2	Very low	36.8	Very low	140.5 Å²	140.5	132.4 Å²	132.4	66%	0.657	69%	0.685	S	S	*	*				89.7	93.6	118.1	-66.3	-168.5	24.9	0	0	120.1
2396	S	36.9	Very low	37.3	Very low	69.5 Å²	69.5	130.1 Å²	130.1	49%	0.486	69%	0.685	S	S	.	*				80.8	133.2	114.2	79.1	0	0	0	0	124.1
2397	F	37.7	Very low	37	Very low	147.5 Å²	147.5	131.3 Å²	131.3	65%	0.647	69%	0.686	S	S	*	*			trans	130.3	159.9	143	-93.3	-98.3	0	0	0	115.4
2398	N	38.3	Very low	37.1	Very low	97 Å²	97	133.4 Å²	133.4	52%	0.519	69%	0.689	S	S	.	*			cis	173	117.9	7.6	-75.2	-33.9	0	0	0	112.1
2399	Q	37.8	Very low	37.4	Very low	137 Å²	137	136.6 Å²	136.6	64%	0.64	69%	0.694	S	S	*	*			cis	151	165.4	23.7	-89	-145.7	88	0	0	113.1
2400	S	38	Very low	37.5	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	69%	0.691	S	S	*	*			trans	114.8	155.1	135.9	-71.5	0	0	0	0	113.9
2401	L	37.5	Very low	37.7	Very low	120 Å²	120	140.2 Å²	140.2	63%	0.628	69%	0.689	S	S	*	*			cis	-151.5	164	-30.8	-108.2	170.1	0	0	0	112.1
2402	L	34.5	Very low	37.6	Very low	139 Å²	139	137.4 Å²	137.4	73%	0.728	68%	0.681	S	S	*	*			trans	9.2	141.1	158.2	-106.9	56.5	0	0	0	126.3
2403	S	33.1	Very low	37.6	Very low	95 Å²	95	140.8 Å²	140.8	66%	0.664	69%	0.69	S	S	*	*				81.1	164.8	126.5	78.2	0	0	0	0	120.4
2404	Y	35.9	Very low	37.6	Very low	211 Å²	211	142 Å²	142	83%	0.827	70%	0.7	S	S	*	*			cis	-142.1	158.1	3.4	-128	-76.2	0	0	0	109.7
2405	Y	32.9	Very low	37.5	Very low	219 Å²	219	141.8 Å²	141.8	86%	0.859	71%	0.707	S	S	*	*			trans	-131.3	124.2	166.9	-126.7	-77.4	0	0	0	108.5
2406	P	46.5	Very low	37.4	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	71%	0.713	S	S	*	*			trans	-85.5	156.4	178.5	33	-33.1	0	0	0	112.6
2407	Q	35.2	Very low	37.6	Very low	172 Å²	172	143.7 Å²	143.7	80%	0.804	73%	0.728	S	S	*	*			trans	-145.8	163.1	-175.9	-162.8	-162.6	21	0	0	109.9
2408	K	38	Very low	37.9	Very low	183 Å²	183	145.7 Å²	145.7	80%	0.796	74%	0.739	S	S	*	*			trans	79.7	148.1	178.3	-46.4	176.9	-177.8	-178	0	112.2
2409	Q	39.2	Very low	37.9	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	74%	0.744	S	S	*	*			cis	-133.5	179	17.5	-33.3	-175.3	11.2	0	0	111
2410	F	38.4	Very low	37.7	Very low	158 Å²	158	145 Å²	145	69%	0.693	75%	0.75	S	S	*	*			cis	-147	-105.2	-2	-148.7	-16.8	0	0	0	115.7
2411	Q	38.8	Very low	38.2	Very low	143 Å²	143	146.2 Å²	146.2	67%	0.668	76%	0.755	S	S	*	*			trans	-99.5	171.7	-165.3	-65.1	131	-32.5	0	0	112.6
2412	S	37.6	Very low	38.5	Very low	87 Å²	87	146.3 Å²	146.3	61%	0.608	76%	0.763	S	S	*	*			cis	-155.7	151.7	19.3	-32	0	0	0	0	113
2413	Y	38.5	Very low	38.9	Very low	215 Å²	215	144.9 Å²	144.9	84%	0.843	76%	0.762	S	S	*	*			trans	58.3	137.2	158	-54.1	-56.1	0	0	0	118.2
2414	L	38.4	Very low	39.3	Very low	162 Å²	162	148.5 Å²	148.5	85%	0.848	77%	0.773	S	S	*	*			cis	-144.4	161.6	-1.2	-108	159.7	0	0	0	108.9
2415	S	35.5	Very low	40.1	Very low	110 Å²	110	143.6 Å²	143.6	77%	0.769	77%	0.767	S	S	*	*			trans	-83	143	-165.1	-54	0	0	0	0	115.4
2416	P	37.1	Very low	40.5	Very low	119 Å²	119	136.2 Å²	136.2	77%	0.773	75%	0.746	S	S	*	*			trans	-86.8	148.8	164.5	35.4	-33	0	0	0	111.7
2417	T	41.4	Very low	40	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	74%	0.741	S	S	*	*			trans	-153.7	110.5	166.6	-61.4	0	0	0	0	110.5
2418	E	42.6	Very low	40	Very low	189 Å²	189	132.9 Å²	132.9	88%	0.883	73%	0.731	S	S	*	*			trans	-116.8	125	161.1	179.3	-176.9	-140.3	0	0	106.2
2419	P	39.7	Very low	39.9	Very low	96 Å²	96	130.2 Å²	130.2	62%	0.623	73%	0.73	S	S	*	*				-147.4	128	126.2	33.7	-16.4	0	0	0	115.2
2420	T	33.5	Very low	39.7	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	73%	0.733	S	S	*	*				65.9	126.3	128.7	-44.5	0	0	0	0	120.6
2421	P	48.9	Very low	39.7	Very low	113 Å²	113	123.9 Å²	123.9	73%	0.734	73%	0.728	S	S	*	*			trans	-80.1	164.5	174.6	39	-39.9	0	0	0	112.1
2422	P	43.7	Very low	39.4	Very low	122 Å²	122	125.4 Å²	125.4	79%	0.792	74%	0.735	S	S	*	*				-147.9	-159.4	68.9	44.3	-23.6	0	0	0	112.2
2423	P	42.3	Very low	39.3	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	74%	0.739	S	S	*	*			cis	-127.8	177.8	-7.7	42.4	-26.9	0	0	0	115.5
2424	L	42.3	Very low	39.4	Very low	170 Å²	170	125.3 Å²	125.3	89%	0.89	73%	0.732	S	S	*	*			trans	-81.2	130.8	158.8	-79.4	162.3	0	0	0	110.2
2425	P	51.1	Low	39.2	Very low	108 Å²	108	123.7 Å²	123.7	70%	0.701	72%	0.723	S	S	*	*			trans	-105.3	169.6	156.7	42	-32.2	0	0	0	109.3
2426	P	41.6	Very low	39.2	Very low	64 Å²	64	128.2 Å²	128.2	42%	0.416	73%	0.725	S	S	.	*				-125.7	168	-107.9	26.7	-6.6	0	0	0	115.7	G2715 T2716 C2717	P2426-G2715 WeakPolarHBondContact CD-O 3.21Å; P2426-G2715 WeakPolarHBondContact CG-O 3.43Å; P2426-T2716 HydrophobicContact CG-CG2 4.3Å; P2426-T2716 CarbonylContact O-C 3.18Å; P2426-T2716 VanDerWaalsContact O-CA 3.26Å; P2426-T2716 WeakPolarHBondContact O-CA 3.45Å; P2426-T2716 WeakPolarHBondContact O-CB 3.32Å; P2426-C2717 PolarHBondContact O-N 2.9Å
2427	T	35.3	Very low	39.1	Very low	109 Å²	109	129.2 Å²	129.2	67%	0.669	72%	0.719	S	S	*	*			trans	-80.8	151.9	165.9	-18.3	0	0	0	0	110.8
2428	L	37.1	Very low	38.7	Very low	113 Å²	113	129.9 Å²	129.9	59%	0.592	71%	0.713	S	S	*	*			trans	136.8	118.6	146.9	-74.2	164.4	0	0	0	117.3	T2716	L2428-T2716 HydrophobicContact CB-CG2 4.41Å; L2428-T2716 WeakPolarHBondContact O-CG2 3.44Å; L2428-T2716 PolarHBondContact O-OG1 3.02Å
2429	T	35.9	Very low	38.2	Very low	126 Å²	126	127.5 Å²	127.5	77%	0.773	70%	0.701	S	S	*	*			trans	57.5	141.5	134.2	63.6	0	0	0	0	123.7
2430	S	34.3	Very low	37.9	Very low	121 Å²	121	130 Å²	130	85%	0.846	71%	0.709	S	S	*	*			trans	172.3	148.6	131.3	-174.9	0	0	0	0	107.8
2431	A	37.3	Very low	38	Very low	70 Å²	70	127.3 Å²	127.3	58%	0.579	71%	0.706	S	S	*	*			cis	-151.4	150.2	-17	0	0	0	0	0	105.1
2432	Q	34.4	Very low	37.4	Very low	175 Å²	175	127.8 Å²	127.8	82%	0.818	71%	0.711	S	S	*	*				66.6	140.8	59.1	-158.7	179.6	11	0	0	114
2433	Q	34.9	Very low	37.1	Very low	148 Å²	148	127.4 Å²	127.4	69%	0.692	71%	0.711	S	S	*	*			trans	79.7	141.8	-175.1	-46.1	172.2	56.6	0	0	113.1
2434	H	40.6	Very low	37.5	Very low	151 Å²	151	127.3 Å²	127.3	70%	0.699	71%	0.711	S	S	*	*			cis	-123.7	141.8	6.2	-69	-90.3	0	0	0	110.2
2435	I	33.7	Very low	37.6	Very low	128 Å²	128	126 Å²	126	66%	0.656	70%	0.704	S	S	*	*				66.1	141.2	78.1	-50.1	168.9	0	0	0	113.7
2436	Y	35.6	Very low	37	Very low	206 Å²	206	127 Å²	127	81%	0.808	70%	0.703	S	S	*	*			trans	74	148.2	-169	-66.5	-92.9	0	0	0	114.5
2437	H	34.7	Very low	37.1	Very low	139 Å²	139	131 Å²	131	64%	0.644	72%	0.72	S	S	*	*			cis	166.6	143.8	-29.8	-117.3	-74.6	0	0	0	104.1
2438	Q	32.4	Very low	37.5	Very low	146 Å²	146	131.3 Å²	131.3	68%	0.682	72%	0.724	S	S	*	*			trans	65.3	128.8	146.5	-76.1	178.4	-63.8	0	0	122.5
2439	H	33.5	Very low	37.8	Very low	139 Å²	139	131.1 Å²	131.1	64%	0.644	73%	0.729	S	S	*	*			trans	71.4	133	135.5	-71.6	-60.7	0	0	0	122
2440	D	33.2	Very low	37.8	Very low	148 Å²	148	131.4 Å²	131.4	79%	0.791	73%	0.73	S	S	*	*				47.2	133.8	129.5	-40.2	-10.1	0	0	0	118.8
2441	G	34.4	Very low	37.8	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	73%	0.728	S	S	*	*			cis	162.9	-157.5	9.2	0	0	0	0	0	110.3
2442	C	36.6	Very low	37.7	Very low	124 Å²	124	133.6 Å²	133.6	84%	0.838	74%	0.736	S	S	*	*			trans	66.6	123.1	179.6	-59.6	0	0	0	0	115.4
2443	S	37.8	Very low	37.7	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	74%	0.736	S	S	*	*			cis	76.4	160.1	38.1	-48.3	0	0	0	0	114.2
2444	P	51.8	Low	37.5	Very low	109 Å²	109	129.4 Å²	129.4	71%	0.708	73%	0.731	S	S	*	*			cis	-125.3	177.4	-4.9	23.6	1.9	0	0	0	112.5
2445	L	42.8	Very low	37.2	Very low	143 Å²	143	129.8 Å²	129.8	75%	0.749	74%	0.737	S	S	*	*				158.8	155.9	86.5	-79.1	174.3	0	0	0	105.5
2446	L	39.5	Very low	37.1	Very low	129 Å²	129	130.2 Å²	130.2	68%	0.675	74%	0.74	S	S	*	*			cis	-147.6	123.1	-9.9	-95.2	145.9	0	0	0	104.6
2447	L	42.8	Very low	37	Very low	147 Å²	147	129.4 Å²	129.4	77%	0.77	74%	0.737	S	S	*	*				67.5	152.2	95.3	-91.1	74.7	0	0	0	116.7
2448	P	44.6	Very low	37	Very low	116 Å²	116	128.4 Å²	128.4	75%	0.753	74%	0.736	S	S	*	*			cis	-129.4	168.8	-9.2	35.4	-16.6	0	0	0	116.1
2449	P	43.7	Very low	37	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	74%	0.737	S	S	*	*			trans	-139.8	-165.3	-162.9	31.9	-5.8	0	0	0	116.3
2450	V	35.8	Very low	37.2	Very low	133 Å²	133	128.7 Å²	128.7	81%	0.806	74%	0.742	S	S	*	*			trans	63.3	163.2	162.6	-96.1	0	0	0	0	117.4
2451	S	34.2	Very low	37.3	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	74%	0.74	S	S	*	*			cis	-147.7	160.9	30.6	-50.7	0	0	0	0	115.5
2452	T	35.2	Very low	37.4	Very low	121 Å²	121	130.4 Å²	130.4	74%	0.742	74%	0.74	S	S	*	*			trans	-89.7	151.7	166.4	50.8	0	0	0	0	112.5
2453	N	34.2	Very low	37.4	Very low	152 Å²	152	130.9 Å²	130.9	81%	0.813	73%	0.734	S	S	*	*			trans	167.7	160.6	149.4	-92.1	-8.1	0	0	0	108.5
2454	S	31	Very low	37.3	Very low	84 Å²	84	135.2 Å²	135.2	59%	0.587	73%	0.733	S	S	*	*			cis	164	121.1	-29.9	56.1	0	0	0	0	105.5
2455	L	33.3	Very low	36.6	Very low	158 Å²	158	137.8 Å²	137.8	83%	0.827	73%	0.733	S	S	*	*			trans	62.1	134.8	154.3	-71	167.5	0	0	0	121.9
2456	L	33	Very low	36.5	Very low	138 Å²	138	134.2 Å²	134.2	72%	0.723	73%	0.731	S	S	*	*			trans	80.9	132.5	143.5	-66.8	161.5	0	0	0	121.9
2457	Y	32.3	Very low	36.1	Very low	189 Å²	189	137.7 Å²	137.7	74%	0.741	74%	0.736	S	S	*	*			trans	79	105.5	147.2	-89.5	-121	0	0	0	121.8
2458	N	35	Very low	35.7	Very low	117 Å²	117	135.1 Å²	135.1	63%	0.626	73%	0.731	S	S	*	*				58.4	116.8	121.7	-62.6	8.4	0	0	0	121.7
2459	N	33.3	Very low	35.2	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	74%	0.736	S	S	*	*			trans	68.8	150.7	131.1	-81	26.8	0	0	0	122.1
2460	E	37.6	Very low	34.8	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	74%	0.737	S	S	*	*			trans	62.8	107.8	154.1	-73.1	151.4	-116.1	0	0	116.7
2461	V	35.5	Very low	35.1	Very low	121 Å²	121	140.1 Å²	140.1	73%	0.733	73%	0.733	S	S	*	*			cis	118.7	149.3	46	142.9	0	0	0	0	107.2
2462	N	36.5	Very low	35.4	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	73%	0.73	S	S	*	*			trans	72.7	99.7	167.6	-82.1	-33.9	0	0	0	119.7
2463	N	36.1	Very low	36	Very low	133 Å²	133	141.5 Å²	141.5	71%	0.711	73%	0.73	S	S	*	*				78.9	139.9	110.8	-96.5	-59.3	0	0	0	122.3
2464	R	34.7	Very low	36.5	Very low	204 Å²	204	140.1 Å²	140.1	77%	0.77	72%	0.723	S	S	*	*			trans	95.9	123.1	133.7	-90.9	-178.7	170.2	-143.5	-3	123
2465	F	36.8	Very low	37.6	Very low	164 Å²	164	143.7 Å²	143.7	72%	0.719	73%	0.73	S	S	*	*			trans	80.3	135	145.9	-86.6	-78.1	0	0	0	122	Y2467	F2465-Y2467 HydrophobicContact CD1-CD2 4.03Å; F2465-Y2467 HydrophobicContact CD1-CE2 4.36Å; F2465-Y2467 HydrophobicContact CE1-CD2 4.18Å; F2465-Y2467 HydrophobicContact CE1-CE2 4.12Å
2466	G	40.8	Very low	38.5	Very low	68 Å²	68	142 Å²	142	70%	0.701	72%	0.722	S	S	*	*			trans	121.2	46.8	162.7	0	0	0	0	0	116.4
2467	Y	32.6	Very low	39.2	Very low	201 Å²	201	141.5 Å²	141.5	79%	0.788	72%	0.72	S	S	*	*				39.7	112.5	92.7	-84.9	-65.3	0	0	0	117.5	F2465	F2465-Y2467 HydrophobicContact CD1-CD2 4.03Å; F2465-Y2467 HydrophobicContact CD1-CE2 4.36Å; F2465-Y2467 HydrophobicContact CE1-CD2 4.18Å; F2465-Y2467 HydrophobicContact CE1-CE2 4.12Å
2468	S	32.8	Very low	40	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	71%	0.712	S	S	*	*			trans	123.2	128.1	133	-59.5	0	0	0	0	118.9
2469	R	35.7	Very low	40.4	Very low	228 Å²	228	140.7 Å²	140.7	86%	0.86	72%	0.721	S	S	*	*			trans	72.2	145.1	139.4	-70.4	169.4	-174.1	-121	1.2	119
2470	T	34.8	Very low	40.7	Very low	116 Å²	116	138.6 Å²	138.6	71%	0.712	72%	0.717	S	S	*	*			cis	-164.6	-177.1	-14.3	14.2	0	0	0	0	109.8
2471	T	42.5	Very low	40.9	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	72%	0.72	S	S	*	*			trans	71.3	99.1	165.7	59.9	0	0	0	0	116.6
2472	T	40.8	Very low	41.2	Very low	120 Å²	120	138.9 Å²	138.9	74%	0.736	72%	0.719	S	S	*	*				74.2	138.5	55.4	71	0	0	0	0	113.8
2473	L	46	Very low	41.6	Very low	144 Å²	144	141 Å²	141	75%	0.754	73%	0.725	S	S	*	*			cis	-120.8	-164.4	4.9	-52.4	77.7	0	0	0	109.7
2474	D	45.9	Very low	42.1	Very low	124 Å²	124	141.2 Å²	141.2	66%	0.663	73%	0.726	S	S	*	*			cis	-154.5	139.8	3.1	-126	-10.3	0	0	0	110.2
2475	E	53.9	Low	42.4	Very low	159 Å²	159	135.9 Å²	135.9	74%	0.743	72%	0.72	S	S	*	*			trans	24.4	131.3	157.7	-38.8	-53.5	70.1	0	0	121.8
2476	D	51.2	Low	42.5	Very low	122 Å²	122	135.8 Å²	135.8	65%	0.652	72%	0.722	S	S	*	*			cis	-142.3	-113.1	-13.1	-164.1	-24.5	0	0	0	106.5	K2478	D2476-K2478 IonicContact OD1-NZ 2.64Å; D2476-K2478 PolarHBondContact OD1-NZ 2.98Å; D2476-K2478 IonicContact OD2-NZ 3.04Å; D2476-K2478 PolarHBondContact OD2-NZ 3.29Å
2477	D	49	Very low	42.4	Very low	127 Å²	127	139 Å²	139	68%	0.679	72%	0.72	S	S	*	*			cis	-143.2	173.8	-19.8	-156.5	5.1	0	0	0	111
2478	K	47.8	Very low	42.8	Very low	131 Å²	131	135.8 Å²	135.8	57%	0.57	71%	0.714	S	S	*	*			trans	-77.3	158.3	-172.6	-68.2	142.1	-149.9	63.9	0	113.6	D2476	D2476-K2478 IonicContact OD1-NZ 2.64Å; D2476-K2478 PolarHBondContact OD1-NZ 2.98Å; D2476-K2478 IonicContact OD2-NZ 3.04Å; D2476-K2478 PolarHBondContact OD2-NZ 3.29Å
2479	L	44.8	Very low	42.9	Very low	158 Å²	158	136.9 Å²	136.9	83%	0.827	71%	0.708	S	S	*	*			cis	-157.8	176.5	-5.8	-115.6	166	0	0	0	109.6
2480	S	38.3	Very low	43	Very low	88 Å²	88	133.9 Å²	133.9	62%	0.615	70%	0.702	S	S	*	*			trans	-149.4	161.2	-167.1	59.8	0	0	0	0	114.4
2481	L	41.8	Very low	43.1	Very low	153 Å²	153	133.9 Å²	133.9	80%	0.801	70%	0.702	S	S	*	*			trans	70.4	143.9	171.3	-45.1	173.9	0	0	0	113.2
2482	D	43.4	Very low	42.7	Very low	134 Å²	134	134.7 Å²	134.7	72%	0.717	70%	0.702	S	S	*	*			cis	-144.3	160.4	47.6	-70.3	-34.8	0	0	0	110.3
2483	E	44.4	Very low	42.5	Very low	176 Å²	176	133.8 Å²	133.8	82%	0.822	70%	0.7	S	S	*	*				50	137.7	84.5	-40	-164.8	155.1	0	0	114.4
2484	D	46.2	Very low	41.7	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	70%	0.699	S	S	*	*			cis	-157.2	-174.5	21	-154.7	-15.4	0	0	0	112.9
2485	S	40.5	Very low	41.1	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	70%	0.701	S	S	*	*			trans	-21.4	153.6	157.9	-53.4	0	0	0	0	117.3
2486	E	40.4	Very low	40.1	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.752	70%	0.698	S	S	*	*				-168.5	137.2	62.3	-106	-153.8	121.4	0	0	111
2487	M	38.7	Very low	39.3	Very low	136 Å²	136	133.9 Å²	133.9	67%	0.67	70%	0.699	S	S	*	*				73.1	126.7	94.5	-81.3	-110.6	-72.8	0	0	118.8
2488	M	39.4	Very low	38.7	Very low	134 Å²	134	134.1 Å²	134.1	66%	0.66	70%	0.7	S	S	*	*			trans	69.4	158.8	148.9	-60.4	-52.8	-155.9	0	0	118.9
2489	H	35.5	Very low	38.3	Very low	117 Å²	117	133.8 Å²	133.8	54%	0.542	70%	0.704	S	S	.	*			cis	-161.4	154	-5.8	-122.2	-32.8	0	0	0	111.4
2490	F	37.3	Very low	38	Very low	165 Å²	165	132.3 Å²	132.3	72%	0.724	70%	0.697	S	S	*	*			trans	62.4	155.9	150.5	-59.5	-41.7	0	0	0	119.5
2491	T	38.3	Very low	38	Very low	115 Å²	115	134.7 Å²	134.7	71%	0.706	70%	0.703	S	S	*	*			cis	-155.3	157.6	-10.1	6.5	0	0	0	0	111.5
2492	N	34.1	Very low	37.9	Very low	136 Å²	136	135 Å²	135	73%	0.727	71%	0.706	S	S	*	*			trans	22.5	129.9	145.1	-82.4	-26.6	0	0	0	121
2493	S	35	Very low	37.6	Very low	100 Å²	100	132.9 Å²	132.9	70%	0.699	71%	0.707	S	S	*	*				61.5	143.7	72.9	-49.2	0	0	0	0	113.4
2494	Q	30.7	Very low	37.3	Very low	156 Å²	156	130.5 Å²	130.5	73%	0.729	70%	0.704	S	S	*	*			cis	166.8	126.9	-10.7	172.9	-178	58.1	0	0	104
2495	M	31.6	Very low	36.7	Very low	145 Å²	145	131 Å²	131	71%	0.714	71%	0.706	S	S	*	*			trans	58	140.4	160.6	-69.7	-170.4	-80.1	0	0	123
2496	N	34.2	Very low	36.5	Very low	127 Å²	127	132.2 Å²	132.2	68%	0.679	71%	0.71	S	S	*	*			trans	85	130.9	139.8	-82.8	-6.4	0	0	0	122.6
2497	N	33.1	Very low	36.4	Very low	123 Å²	123	129.9 Å²	129.9	66%	0.658	71%	0.707	S	S	*	*			trans	58.4	110.1	136.2	-58.5	-9.5	0	0	0	117
2498	N	36.7	Very low	36.2	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	72%	0.715	S	S	*	*				-174.8	164.5	60.3	-101.3	-35.1	0	0	0	114
2499	N	39.2	Very low	36.2	Very low	124 Å²	124	130.3 Å²	130.3	66%	0.663	72%	0.715	S	S	*	*			trans	60.9	118.5	145.2	-65.7	-9.7	0	0	0	121.5
2500	N	38.4	Very low	36.3	Very low	128 Å²	128	130.4 Å²	130.4	68%	0.684	72%	0.724	S	S	*	*				79.7	120.1	128	-62	-5	0	0	0	121.1
2501	N	39.5	Very low	36.3	Very low	137 Å²	137	128.4 Å²	128.4	73%	0.733	73%	0.725	S	S	*	*			trans	79.7	110.1	138.4	-58.8	-10.4	0	0	0	119.9
2502	N	39.5	Very low	36.2	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	73%	0.727	S	S	*	*			trans	75.7	145.4	145	-68.8	-15.6	0	0	0	120.6
2503	A	37.8	Very low	36.2	Very low	90 Å²	90	127.6 Å²	127.6	74%	0.744	73%	0.726	S	S	*	*			trans	84.8	104.2	154.1	0	0	0	0	0	120.2
2504	V	37.2	Very low	36.2	Very low	125 Å²	125	129.9 Å²	129.9	76%	0.758	73%	0.73	S	S	*	*				85.1	102.1	121.5	174.4	0	0	0	0	119.2
2505	N	33.7	Very low	36.4	Very low	146 Å²	146	126.5 Å²	126.5	78%	0.781	73%	0.728	S	S	*	*			trans	92.9	136.4	130.7	-81.3	5.8	0	0	0	124.9
2506	V	37.2	Very low	36.4	Very low	120 Å²	120	127 Å²	127	73%	0.727	73%	0.733	S	S	*	*			trans	77.5	79.6	145.5	179	0	0	0	0	118.6
2507	T	37.3	Very low	36.4	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	74%	0.739	S	S	*	*				30.1	120.4	106	-46.7	0	0	0	0	119.5
2508	M	34.4	Very low	36.3	Very low	172 Å²	172	127.4 Å²	127.4	85%	0.847	75%	0.745	S	S	*	*				-153	148.2	119.7	-103.3	-52.6	174.7	0	0	113.4
2509	T	39	Very low	36.2	Very low	107 Å²	107	127.6 Å²	127.6	66%	0.656	75%	0.75	S	S	*	*			trans	-81.6	167.6	180	44.2	0	0	0	0	112.1
2510	T	38.7	Very low	35.8	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	75%	0.748	S	S	*	*			cis	-171.1	175.7	-5.4	25.1	0	0	0	0	106.9
2511	T	36.4	Very low	35.5	Very low	123 Å²	123	125.5 Å²	125.5	76%	0.755	76%	0.755	S	S	*	*			cis	170.9	144	-33.5	-76.4	0	0	0	0	106
2512	T	36.3	Very low	35.1	Very low	121 Å²	121	125 Å²	125	74%	0.742	75%	0.752	S	S	*	*			trans	-144.6	126.5	173.1	-37.6	0	0	0	0	112.2
2513	T	33.3	Very low	34.7	Very low	113 Å²	113	123.8 Å²	123.8	69%	0.693	74%	0.744	S	S	*	*			trans	51.3	128.7	161.7	45.4	0	0	0	0	121.4
2514	N	35.7	Very low	34.6	Very low	149 Å²	149	125.1 Å²	125.1	80%	0.797	75%	0.748	S	S	*	*			trans	87.5	111	143	-59	-11.3	0	0	0	120.9
2515	A	35	Very low	34.4	Very low	84 Å²	84	125.7 Å²	125.7	69%	0.694	75%	0.747	S	S	*	*				81.3	118.2	126.1	0	0	0	0	0	120.9
2516	I	31.3	Very low	34.6	Very low	156 Å²	156	123.4 Å²	123.4	80%	0.8	74%	0.738	S	S	*	*			trans	68.3	113.8	146.6	-52.9	158.2	0	0	0	116.9
2517	T	34.1	Very low	34.4	Very low	134 Å²	134	124 Å²	124	82%	0.822	74%	0.737	S	S	*	*				-171.3	147.7	112.5	-72.4	0	0	0	0	111.1
2518	T	32.4	Very low	34.4	Very low	125 Å²	125	125 Å²	125	77%	0.767	74%	0.738	S	S	*	*			trans	-86.6	131.9	-175.4	-49.5	0	0	0	0	113.5
2519	T	34	Very low	34.4	Very low	135 Å²	135	122.5 Å²	122.5	83%	0.828	73%	0.728	S	S	*	*			trans	-177.2	146.8	145.1	31.1	0	0	0	0	107.3
2520	A	30.3	Very low	34.3	Very low	75 Å²	75	124 Å²	124	62%	0.62	73%	0.732	S	S	*	*			cis	142.4	131.7	-4.6	0	0	0	0	0	105.7
2521	T	31.4	Very low	33.9	Very low	133 Å²	133	124.2 Å²	124.2	82%	0.816	73%	0.729	S	S	*	*			trans	63.2	152.3	174.8	60	0	0	0	0	116.8
2522	N	31.2	Very low	33.8	Very low	126 Å²	126	124.9 Å²	124.9	67%	0.674	73%	0.733	S	S	*	*			cis	-151.4	148.4	3.4	-125.9	-5.7	0	0	0	113.6
2523	I	32.6	Very low	33.5	Very low	136 Å²	136	126.3 Å²	126.3	70%	0.697	73%	0.731	S	S	*	*			trans	33	108.2	143.7	-55.5	159.8	0	0	0	118.8
2524	S	34.8	Very low	33.6	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	73%	0.733	S	S	*	*				167.2	163.5	107	49.6	0	0	0	0	112.7
2525	N	32.9	Very low	33.4	Very low	137 Å²	137	124.8 Å²	124.8	73%	0.733	73%	0.725	S	S	*	*			cis	-171.9	169.6	-42.4	-169.7	10.6	0	0	0	107.1
2526	V	37.1	Very low	33.3	Very low	99 Å²	99	125.9 Å²	125.9	60%	0.6	73%	0.727	S	S	*	*			trans	72.1	81.8	162	-163	0	0	0	0	117.9
2527	N	34	Very low	33.4	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	73%	0.726	S	S	*	*				55.8	157.6	109.5	-60	-11.9	0	0	0	123.5
2528	N	37	Very low	33.4	Very low	131 Å²	131	128.2 Å²	128.2	70%	0.701	73%	0.725	S	S	*	*			trans	84.6	145.3	153.2	-64.3	-39.2	0	0	0	117.8
2529	N	34.8	Very low	33.6	Very low	120 Å²	120	128.1 Å²	128.1	64%	0.642	72%	0.72	S	S	*	*			cis	178.4	159.8	-34.4	-120.1	-38.8	0	0	0	106.1
2530	N	36.3	Very low	33.9	Very low	138 Å²	138	126.6 Å²	126.6	74%	0.738	71%	0.712	S	S	*	*			trans	65	158.4	176.1	-47.6	-53.2	0	0	0	113.3
2531	N	31	Very low	33.8	Very low	123 Å²	123	132.8 Å²	132.8	66%	0.658	72%	0.721	S	S	*	*			cis	-173.1	164.3	-32.8	-105.2	-38.3	0	0	0	104.1
2532	T	34.6	Very low	33.9	Very low	137 Å²	137	133 Å²	133	84%	0.84	72%	0.722	S	S	*	*			trans	62.6	155.9	162.5	50.2	0	0	0	0	116.7
2533	H	30.2	Very low	34	Very low	152 Å²	152	133.3 Å²	133.3	70%	0.704	73%	0.729	S	S	*	*			cis	-170.9	152.7	-24.1	179.7	-138.8	0	0	0	106.6
2534	L	34.5	Very low	33.9	Very low	139 Å²	139	130.2 Å²	130.2	73%	0.728	72%	0.723	S	S	*	*			trans	69.2	156.2	174.6	-51.1	132.4	0	0	0	116
2535	S	31.5	Very low	33.7	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	73%	0.728	S	S	*	*			cis	-171.5	142	-31.1	-98.1	0	0	0	0	110.2
2536	S	32.8	Very low	33.6	Very low	106 Å²	106	135.1 Å²	135.1	74%	0.741	73%	0.729	S	S	*	*			trans	64.7	156	160.9	80.6	0	0	0	0	116.3
2537	M	33.2	Very low	33.4	Very low	156 Å²	156	137.7 Å²	137.7	77%	0.768	74%	0.74	S	S	*	*			cis	-159.1	161.5	-10.2	-124.1	-173.5	-67.6	0	0	107.7
2538	F	35	Very low	33.4	Very low	183 Å²	183	138.2 Å²	138.2	80%	0.803	74%	0.742	S	S	*	*			cis	-140.5	-91.4	-1.1	-162	-9.4	0	0	0	111.6
2539	N	37.2	Very low	33.1	Very low	123 Å²	123	137.1 Å²	137.1	66%	0.658	75%	0.745	S	S	*	*			trans	-169.9	174.5	-173.5	-131.5	-32.7	0	0	0	108.5	Y2541	N2539-Y2541 PolarHBondContact OD1-N 3.42Å
2540	P	39.7	Very low	33.4	Very low	104 Å²	104	136.8 Å²	136.8	68%	0.675	75%	0.75	S	S	*	*				-147.2	145.1	51.4	34	-10.3	0	0	0	120.3
2541	Y	28.8	Very low	33.2	Very low	204 Å²	204	135 Å²	135	80%	0.8	75%	0.748	S	S	*	*			trans	62.8	87	142	-61.7	-52.4	0	0	0	120.9	N2539	N2539-Y2541 PolarHBondContact OD1-N 3.42Å
2542	T	32.1	Very low	33.2	Very low	137 Å²	137	136.3 Å²	136.3	84%	0.84	76%	0.755	S	S	*	*			trans	-161.4	178.3	136.6	4.9	0	0	0	0	108.2
2543	V	33.7	Very low	33.1	Very low	134 Å²	134	140.1 Å²	140.1	81%	0.812	76%	0.755	S	S	*	*			trans	70.6	124.5	173.5	-164.9	0	0	0	0	113.3
2544	A	30.2	Very low	33.3	Very low	71 Å²	71	139 Å²	139	59%	0.587	75%	0.753	S	S	*	*			cis	97.6	114.8	20.3	0	0	0	0	0	115.6
2545	F	30.3	Very low	33.2	Very low	207 Å²	207	140.5 Å²	140.5	91%	0.908	76%	0.756	S	S	*	*			trans	66.1	173.8	170.1	-60.6	-75.2	0	0	0	118.4
2546	I	32.6	Very low	33.2	Very low	150 Å²	150	140.4 Å²	140.4	77%	0.769	76%	0.756	S	S	*	*			trans	70	97.5	176.4	-45.8	172	0	0	0	115.2
2547	N	32.1	Very low	33.1	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	76%	0.76	S	S	*	*				-158.2	154.3	100.1	-125	-34.8	0	0	0	113.2
2548	N	33	Very low	33.4	Very low	143 Å²	143	140.2 Å²	140.2	77%	0.765	76%	0.755	S	S	*	*			trans	-93.3	149.4	-177.7	-74.2	-34.1	0	0	0	112.4
2549	S	32	Very low	33.2	Very low	109 Å²	109	136.3 Å²	136.3	76%	0.762	75%	0.751	S	S	*	*			trans	27.5	150.5	134	-56.7	0	0	0	0	122.2
2550	P	40.2	Very low	33.1	Very low	113 Å²	113	138 Å²	138	73%	0.734	75%	0.754	S	S	*	*			cis	-140.3	-165.4	-22	38.5	-18.5	0	0	0	113.4
2551	S	32.9	Very low	33	Very low	99 Å²	99	140 Å²	140	69%	0.692	76%	0.755	S	S	*	*			trans	66.8	97.1	159.2	-59	0	0	0	0	116.8
2552	N	31.2	Very low	33.2	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	75%	0.748	S	S	*	*				57.6	101.8	88.8	-72.6	-32.2	0	0	0	114.3
2553	Y	32.6	Very low	33.5	Very low	218 Å²	218	134.3 Å²	134.3	86%	0.855	74%	0.741	S	S	*	*				-146.1	135.3	122.1	-129.4	-89.9	0	0	0	112.9
2554	I	32.9	Very low	33.5	Very low	128 Å²	128	135.8 Å²	135.8	66%	0.656	74%	0.743	S	S	*	*			trans	-43.9	134.3	173.7	-63.1	146	0	0	0	113.1
2555	Q	33	Very low	33.8	Very low	170 Å²	170	136.8 Å²	136.8	79%	0.794	75%	0.746	S	S	*	*				-170.1	153.1	109.4	-138.6	114	2.8	0	0	115.3
2556	S	30.9	Very low	34.1	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	74%	0.738	S	S	*	*			trans	-49.5	167.7	165.1	57.9	0	0	0	0	116
2557	N	31.3	Very low	34.4	Very low	154 Å²	154	136.6 Å²	136.6	82%	0.824	74%	0.742	S	S	*	*			cis	-158.5	178.5	19.2	-129.7	5.2	0	0	0	111.6
2558	P	39.3	Very low	34.4	Very low	105 Å²	105	135.3 Å²	135.3	68%	0.682	74%	0.735	S	S	*	*			trans	-94	171.5	-164.2	39	-39.4	0	0	0	115.6
2559	S	32	Very low	34.8	Very low	101 Å²	101	134.2 Å²	134.2	71%	0.706	74%	0.736	S	S	*	*			trans	-161.9	126.1	157.8	-82.6	0	0	0	0	113
2560	H	34.8	Very low	34.7	Very low	157 Å²	157	132 Å²	132	73%	0.727	72%	0.72	S	S	*	*			trans	45.8	146	132	-59.3	-76.8	0	0	0	121.6
2561	H	36.5	Very low	34.5	Very low	148 Å²	148	136.8 Å²	136.8	69%	0.685	73%	0.725	S	S	*	*			cis	-155.4	148.4	4.6	-126.9	-62.9	0	0	0	111.8
2562	T	33.2	Very low	34.4	Very low	107 Å²	107	136.7 Å²	136.7	66%	0.656	73%	0.725	S	S	*	*			trans	-8.6	152.4	152.6	57.7	0	0	0	0	119.8
2563	T	38.1	Very low	34.4	Very low	114 Å²	114	135.7 Å²	135.7	70%	0.699	72%	0.724	S	S	*	*				-162.4	145.1	51	48.1	0	0	0	0	115.5
2564	L	34.5	Very low	34.2	Very low	164 Å²	164	136.6 Å²	136.6	86%	0.859	73%	0.726	S	S	*	*			trans	50.4	138.4	144.9	-81.1	68.2	0	0	0	119.6
2565	S	35.4	Very low	34.1	Very low	93 Å²	93	136.8 Å²	136.8	65%	0.65	73%	0.728	S	S	*	*			cis	-166.9	166.5	48.1	57.5	0	0	0	0	115.9
2566	H	38.1	Very low	34.1	Very low	157 Å²	157	135.7 Å²	135.7	73%	0.727	73%	0.733	S	S	*	*			trans	79.3	113.1	157	-69.7	-61.2	0	0	0	123.5
2567	F	38.3	Very low	34.1	Very low	196 Å²	196	136.9 Å²	136.9	86%	0.86	73%	0.733	S	S	*	*			trans	75.7	131.9	159.7	-66.5	-73	0	0	0	120.6
2568	N	32.6	Very low	34.2	Very low	126 Å²	126	135.8 Å²	135.8	67%	0.674	73%	0.727	S	S	*	*			trans	-172.7	143.4	-158.3	-171.6	33	0	0	0	106.1	S2570	N2568-S2570 PolarHBondContact ND2-OG 3.21Å; N2568-S2570 PolarHBondContact OD1-OG 3.23Å
2569	P	41.3	Very low	33.8	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	74%	0.735	S	S	*	*				-134	169.7	77	20.1	1.7	0	0	0	112.6
2570	S	29.8	Very low	34	Very low	62 Å²	62	137.6 Å²	137.6	43%	0.434	74%	0.736	S	S	.	*			cis	153.1	159.3	-15.2	-88.3	0	0	0	0	105.5	N2568	N2568-S2570 PolarHBondContact ND2-OG 3.21Å; N2568-S2570 PolarHBondContact OD1-OG 3.23Å
2571	Y	36.5	Very low	34	Very low	213 Å²	213	137.1 Å²	137.1	84%	0.835	73%	0.734	S	S	*	*			trans	73.7	110.5	-177.4	-48	-73.4	0	0	0	112.8
2572	S	29.3	Very low	33.9	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	73%	0.733	S	S	*	*				63.5	105.6	51.2	-45	0	0	0	0	110.4
2573	V	31.9	Very low	34.1	Very low	130 Å²	130	138.7 Å²	138.7	79%	0.788	73%	0.734	S	S	*	*				51	114.2	68.8	-171.9	0	0	0	0	111.4
2574	W	29.4	Very low	33.9	Very low	236 Å²	236	140 Å²	140	89%	0.894	73%	0.732	S	S	*	*			trans	-171.4	143.1	131	-104.9	39.5	0	0	0	109.1
2575	N	30	Very low	33.9	Very low	132 Å²	132	139.1 Å²	139.1	71%	0.706	72%	0.723	S	S	*	*			trans	34	112.5	174.7	-72.6	9.1	0	0	0	120.7	N2577	N2575-N2577 PolarHBondContact O-N 2.83Å
2576	T	32.6	Very low	34	Very low	147 Å²	147	139.9 Å²	139.9	90%	0.902	72%	0.724	S	S	*	*			trans	-71	94.5	143.1	48.2	0	0	0	0	110.2
2577	N	30.7	Very low	33.8	Very low	115 Å²	115	138.6 Å²	138.6	62%	0.615	72%	0.722	S	S	*	*			trans	-57	151.8	150.5	-76.1	47.3	0	0	0	109.6	N2575	N2575-N2577 PolarHBondContact O-N 2.83Å
2578	D	33.9	Very low	33.8	Very low	131 Å²	131	135.3 Å²	135.3	70%	0.701	71%	0.714	S	S	*	*			cis	-149.3	152.8	-9.3	-102.4	-36.8	0	0	0	109.9
2579	S	30.9	Very low	33.9	Very low	122 Å²	122	136 Å²	136	85%	0.853	72%	0.717	S	S	*	*			trans	-100.5	122.4	167.8	-71.2	0	0	0	0	110.7
2580	V	35.8	Very low	34.1	Very low	121 Å²	121	137.8 Å²	137.8	73%	0.733	72%	0.719	S	S	*	*			trans	-139.7	135.4	160.3	-163	0	0	0	0	111
2581	H	34.9	Very low	34.7	Very low	148 Å²	148	140 Å²	140	69%	0.685	73%	0.725	S	S	*	*			trans	103.2	91.1	171.4	-71	-81.9	0	0	0	115.2
2582	H	35.5	Very low	34.9	Very low	140 Å²	140	138.3 Å²	138.3	65%	0.648	72%	0.723	S	S	*	*			cis	-164.8	151.6	41.3	-99.1	-81.2	0	0	0	115
2583	H	35.9	Very low	35.4	Very low	147 Å²	147	137.3 Å²	137.3	68%	0.681	72%	0.716	S	S	*	*			trans	65.2	125	142.6	-79.6	-54.3	0	0	0	124.6
2584	H	34.9	Very low	35.7	Very low	142 Å²	142	140.7 Å²	140.7	66%	0.657	72%	0.716	S	S	*	*			trans	95.2	112.3	133.4	-87	-69.8	0	0	0	121.9
2585	H	34.3	Very low	36.1	Very low	145 Å²	145	139 Å²	139	67%	0.671	71%	0.709	S	S	*	*			trans	87.8	115.5	143	-75.8	-56.7	0	0	0	122.2
2586	T	37.5	Very low	36.6	Very low	110 Å²	110	138.7 Å²	138.7	68%	0.675	71%	0.706	S	S	*	*			trans	73.5	142.6	138.6	58	0	0	0	0	118.1
2587	N	34.4	Very low	37	Very low	130 Å²	130	137.5 Å²	137.5	70%	0.695	70%	0.695	S	S	*	*			cis	-157.5	170	-0.1	-126.1	-14.8	0	0	0	113.5
2588	N	37.5	Very low	37.5	Very low	126 Å²	126	137.5 Å²	137.5	67%	0.674	69%	0.694	S	S	*	*			trans	71	100.4	154.9	-63.2	-25.4	0	0	0	120.9
2589	N	35.9	Very low	37.6	Very low	141 Å²	141	137.6 Å²	137.6	75%	0.754	70%	0.695	S	S	*	*				56	125.7	122.8	-66.5	-42.6	0	0	0	121.5
2590	I	44.3	Very low	37.7	Very low	157 Å²	157	136.7 Å²	136.7	81%	0.805	69%	0.689	S	S	*	*				-150.9	118.5	108.6	-98.1	148.2	0	0	0	111
2591	N	41.8	Very low	37.6	Very low	108 Å²	108	134.6 Å²	134.6	58%	0.578	68%	0.684	S	S	*	*			trans	35.7	121.1	154.1	-70.6	-71	0	0	0	123.5
2592	K	41.1	Very low	37.5	Very low	178 Å²	178	135.2 Å²	135.2	77%	0.774	69%	0.691	S	S	*	*				69.9	142.7	124.6	-62.6	170.5	-178.5	158.4	0	119.3
2593	S	39.5	Very low	37.6	Very low	78 Å²	78	136.2 Å²	136.2	55%	0.545	70%	0.699	S	S	.	*			cis	-168.5	164.5	-9	-95.8	0	0	0	0	110.3
2594	Y	38.6	Very low	37.3	Very low	201 Å²	201	139.6 Å²	139.6	79%	0.788	71%	0.707	S	S	*	*			trans	74.5	141.5	166.3	-51.4	-66.7	0	0	0	116.6
2595	R	38.8	Very low	37.8	Very low	199 Å²	199	137.9 Å²	137.9	75%	0.751	71%	0.709	S	S	*	*			cis	-168.3	154.7	-21	-126.7	-177.8	-172.9	-177.7	1.8	109.8
2596	I	40.3	Very low	37.7	Very low	126 Å²	126	136.5 Å²	136.5	65%	0.646	72%	0.715	S	S	*	*				34.7	126.1	129.9	-71	175.7	0	0	0	116.5
2597	N	40.6	Very low	37.4	Very low	123 Å²	123	137 Å²	137	66%	0.658	71%	0.714	S	S	*	*			cis	-171.1	-176.5	19.6	-103.7	20.3	0	0	0	107.6
2598	D	41	Very low	37.3	Very low	114 Å²	114	137.8 Å²	137.8	61%	0.61	71%	0.713	S	S	*	*			cis	-160.5	168.2	-10	-116.4	-19.3	0	0	0	110.7
2599	N	35.6	Very low	37.1	Very low	134 Å²	134	138 Å²	138	72%	0.717	71%	0.712	S	S	*	*			trans	-1	159.5	141.5	-51.7	-44.4	0	0	0	120.7
2600	S	33	Very low	37.1	Very low	103 Å²	103	137 Å²	137	72%	0.72	71%	0.707	S	S	*	*			cis	172.4	-174.2	-21	66.2	0	0	0	0	108.2
2601	A	33.4	Very low	36.7	Very low	76 Å²	76	136.3 Å²	136.3	63%	0.628	71%	0.705	S	S	*	*			trans	74.2	117.1	163.8	0	0	0	0	0	117.2
2602	I	33.4	Very low	36.7	Very low	162 Å²	162	135 Å²	135	83%	0.831	71%	0.709	S	S	*	*				79.1	149	73.6	-56.7	151.1	0	0	0	112.9
2603	I	37.1	Very low	36.6	Very low	160 Å²	160	133 Å²	133	82%	0.821	71%	0.706	S	S	*	*			trans	109.5	107.2	164.8	-54.6	-175.2	0	0	0	116.2
2604	Y	30.5	Very low	36.6	Very low	218 Å²	218	136.3 Å²	136.3	86%	0.855	72%	0.718	S	S	*	*			trans	-80.3	-179	159.6	-89.3	-101.8	0	0	0	110.4
2605	P	45.1	Very low	36.4	Very low	107 Å²	107	130 Å²	130	70%	0.695	71%	0.714	S	S	*	*				-118.8	-172.7	-63.6	36.3	-19	0	0	0	109.6
2606	S	31.6	Very low	36.5	Very low	115 Å²	115	127.7 Å²	127.7	80%	0.804	72%	0.722	S	S	*	*			trans	157.4	159.3	149.7	-77.6	0	0	0	0	109.5
2607	D	31.3	Very low	36.5	Very low	121 Å²	121	125.9 Å²	125.9	65%	0.647	73%	0.725	S	S	*	*			cis	-175.9	150.5	-37.4	-146.7	29	0	0	0	104.8
2608	Q	32.4	Very low	36.2	Very low	146 Å²	146	123.2 Å²	123.2	68%	0.682	73%	0.728	S	S	*	*			trans	65.5	162.6	162.7	-56.5	161	35.7	0	0	115
2609	M	33.1	Very low	36	Very low	130 Å²	130	125.1 Å²	125.1	64%	0.64	74%	0.736	S	S	*	*			cis	-153.9	164	0.1	-142.3	-175.3	-81.2	0	0	110.3
2610	N	36.9	Very low	36	Very low	122 Å²	122	125.1 Å²	125.1	65%	0.652	74%	0.741	S	S	*	*			trans	73.1	141	155.8	-58.5	-24.8	0	0	0	117.9
2611	N	36.4	Very low	36	Very low	141 Å²	141	123.6 Å²	123.6	75%	0.754	74%	0.742	S	S	*	*			cis	-154.5	148.5	3.8	-122.4	-7.2	0	0	0	113.7
2612	A	40.8	Very low	36	Very low	81 Å²	81	125.4 Å²	125.4	67%	0.669	75%	0.75	S	S	*	*			trans	59.8	134.4	157.9	0	0	0	0	0	120.2
2613	N	39.9	Very low	35.7	Very low	135 Å²	135	123.8 Å²	123.8	72%	0.722	75%	0.753	S	S	*	*			cis	-151.4	153.7	-7.1	-111.5	25	0	0	0	110.1
2614	D	38.1	Very low	35.5	Very low	149 Å²	149	120.3 Å²	120.3	80%	0.797	76%	0.756	S	S	*	*			trans	36	124.9	152.3	-49.5	-44.6	0	0	0	121.2
2615	G	36.1	Very low	35.4	Very low	67 Å²	67	114.9 Å²	114.9	69%	0.691	75%	0.75	S	S	*	*			cis	162.1	179.2	-5	0	0	0	0	0	115.1
2616	V	39.7	Very low	35	Very low	151 Å²	151	115.9 Å²	115.9	92%	0.915	76%	0.755	S	S	*	*			trans	75.1	131.3	168.9	-170.5	0	0	0	0	117.5
2617	A	39.8	Very low	35.5	Very low	88 Å²	88	118.6 Å²	118.6	73%	0.727	75%	0.754	S	S	*	*			trans	-43.6	160.3	174.8	0	0	0	0	0	116.1
2618	G	34.5	Very low	35.8	Very low	68 Å²	68	117.8 Å²	117.8	70%	0.701	76%	0.756	S	S	*	*			cis	114.1	-177.5	19.3	0	0	0	0	0	111
2619	I	37.3	Very low	35.7	Very low	154 Å²	154	118.1 Å²	118.1	79%	0.79	76%	0.761	S	S	*	*			trans	80.5	92.3	-179.8	-50.8	168.8	0	0	0	115.5
2620	T	36.5	Very low	35.8	Very low	133 Å²	133	118.9 Å²	118.9	82%	0.816	77%	0.767	S	S	*	*			trans	45.4	120	143.9	65.2	0	0	0	0	122.5
2621	G	32.4	Very low	35.5	Very low	72 Å²	72	118.1 Å²	118.1	74%	0.742	77%	0.767	S	S	*	*				93.7	156.1	121.8	0	0	0	0	0	118.7
2622	S	32.5	Very low	35.3	Very low	114 Å²	114	117.5 Å²	117.5	80%	0.797	76%	0.764	S	S	*	*			trans	51.9	94.5	167.5	-62.4	0	0	0	0	118.4
2623	S	28.4	Very low	35.2	Very low	128 Å²	128	120.1 Å²	120.1	90%	0.895	77%	0.765	S	S	*	*	S	Bend		56.9	87.8	129.5	-50.6	0	0	0	0	119.2
2624	G	31.4	Very low	35.4	Very low	86 Å²	86	119.9 Å²	119.9	89%	0.887	76%	0.764	S	S	*	*			trans	113.2	102.3	149.5	0	0	0	0	0	116.5
2625	S	29.2	Very low	35.8	Very low	104 Å²	104	119.4 Å²	119.4	73%	0.727	76%	0.761	S	S	*	*			trans	-157.7	131.2	161.2	-172.2	0	0	0	0	105.2
2626	T	36.2	Very low	36.4	Very low	129 Å²	129	122.4 Å²	122.4	79%	0.791	77%	0.766	S	S	*	*				-140.4	116.6	65.7	39.1	0	0	0	0	115.6
2627	H	42.3	Very low	36.7	Very low	171 Å²	171	118.6 Å²	118.6	79%	0.792	76%	0.757	S	S	*	*				-105.8	138.7	128.2	-72.5	-70.4	0	0	0	105.6
2628	P	37.9	Very low	36.8	Very low	105 Å²	105	119.4 Å²	119.4	68%	0.682	76%	0.757	S	S	*	*				-113.4	166.7	79.8	-4.8	27.1	0	0	0	111.7
2629	L	30.2	Very low	37.3	Very low	153 Å²	153	121.8 Å²	121.8	80%	0.801	75%	0.754	S	S	*	*			cis	69.3	151.4	42.5	-82	167.2	0	0	0	114.7
2630	L	34.7	Very low	37.6	Very low	145 Å²	145	123.2 Å²	123.2	76%	0.759	76%	0.755	S	S	*	*			trans	71.6	107.8	-172.1	-47.3	179.2	0	0	0	112.1
2631	T	31.4	Very low	37.7	Very low	106 Å²	106	120.9 Å²	120.9	65%	0.65	74%	0.744	S	S	*	*				56.8	123.7	52.7	84.5	0	0	0	0	110.5
2632	D	32.3	Very low	38	Very low	129 Å²	129	125.3 Å²	125.3	69%	0.69	75%	0.75	S	S	*	*				-172.4	163.3	85.7	-92.2	-7.4	0	0	0	112.4
2633	I	38.3	Very low	38.2	Very low	135 Å²	135	124.4 Å²	124.4	69%	0.692	74%	0.743	S	S	*	*			trans	65.9	123.7	139.5	-71.9	166	0	0	0	117.8
2634	D	44.2	Very low	38.4	Very low	130 Å²	130	122 Å²	122	70%	0.695	73%	0.731	S	S	*	*			cis	-161.8	176	3	-113.1	-12.9	0	0	0	112.7
2635	D	46.4	Very low	38.6	Very low	140 Å²	140	126.6 Å²	126.6	75%	0.749	73%	0.727	S	S	*	*			trans	65.3	140.9	152.1	-81.6	-13.1	0	0	0	121
2636	V	49.9	Very low	38.9	Very low	130 Å²	130	131 Å²	131	79%	0.788	73%	0.728	S	S	*	*			cis	-153.4	152.3	-2.1	-104	0	0	0	0	111.2
2637	G	44.4	Very low	39.1	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	73%	0.733	S	S	*	*			trans	89.1	112.5	162.4	0	0	0	0	0	115.5
2638	S	42.7	Very low	38.7	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	72%	0.724	S	S	*	*			cis	57.9	128.6	33.1	-88.8	0	0	0	0	114.2
2639	D	44.9	Very low	38.6	Very low	118 Å²	118	134.7 Å²	134.7	63%	0.631	73%	0.725	S	S	*	*			cis	-149	176.7	-4.6	-72.3	-48.3	0	0	0	108.3
2640	F	44.2	Very low	38.9	Very low	185 Å²	185	134 Å²	134	81%	0.811	72%	0.722	S	S	*	*			cis	-136.3	162.8	15.6	-86.7	-104.4	0	0	0	109.4
2641	S	37.2	Very low	39.2	Very low	84 Å²	84	133.6 Å²	133.6	59%	0.587	72%	0.719	S	S	*	*			cis	87.3	111.1	26	-74.5	0	0	0	0	118
2642	L	39.8	Very low	39.5	Very low	164 Å²	164	134.7 Å²	134.7	86%	0.859	73%	0.73	S	S	*	*			trans	68.2	152.8	148.2	-55.4	174.4	0	0	0	117.5
2643	S	36.8	Very low	39.4	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	73%	0.726	S	S	*	*			cis	-152.1	152.2	-8.3	-97	0	0	0	0	106.6
2644	A	32.3	Very low	39.2	Very low	77 Å²	77	130.5 Å²	130.5	64%	0.636	73%	0.732	S	S	*	*			cis	72	107.3	49.2	0	0	0	0	0	115.4
2645	F	35.6	Very low	38.7	Very low	183 Å²	183	129.5 Å²	129.5	80%	0.803	74%	0.735	S	S	*	*			trans	74.2	127.6	158.5	-67.6	-68	0	0	0	123.7
2646	R	36.5	Very low	38.1	Very low	198 Å²	198	127.1 Å²	127.1	75%	0.747	73%	0.73	S	S	*	*			trans	64.3	120.1	137.8	-62.1	165.1	-173.3	-103.9	6.6	121
2647	R	39.3	Very low	37.4	Very low	236 Å²	236	128.8 Å²	128.8	89%	0.891	73%	0.733	S	S	*	*				-177.2	131.7	105	-92.6	152.8	175.8	156.7	-1	108.2
2648	N	34.9	Very low	36.7	Very low	115 Å²	115	129.2 Å²	129.2	62%	0.615	73%	0.725	S	S	*	*				77.7	115.8	64.6	-91.7	84.9	0	0	0	113.4
2649	D	34.1	Very low	36.1	Very low	130 Å²	130	130.9 Å²	130.9	70%	0.695	73%	0.726	S	S	*	*			trans	72	155.6	149.5	-41	-33.2	0	0	0	115.8
2650	D	37.9	Very low	35.6	Very low	138 Å²	138	134.8 Å²	134.8	74%	0.738	73%	0.732	S	S	*	*			cis	-161.5	171.7	30.3	-140.6	-25.1	0	0	0	114.6
2651	I	40.1	Very low	35	Very low	138 Å²	138	132.4 Å²	132.4	71%	0.708	73%	0.725	S	S	*	*			trans	69.2	120.9	153.4	-66	159.1	0	0	0	122
2652	C	38.1	Very low	34.8	Very low	128 Å²	128	135 Å²	135	87%	0.865	73%	0.731	S	S	*	*			trans	36.1	157.5	143.8	-59.7	0	0	0	0	124.4
2653	G	31.2	Very low	34.3	Very low	60 Å²	60	132.8 Å²	132.8	62%	0.619	72%	0.72	S	S	*	*			cis	146.1	90.5	-8.6	0	0	0	0	0	116.6
2654	S	33.5	Very low	34.1	Very low	116 Å²	116	133.8 Å²	133.8	81%	0.811	72%	0.718	S	S	*	*			trans	70.6	159.8	154.4	76.6	0	0	0	0	121.4
2655	S	33.8	Very low	34.4	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	72%	0.719	S	S	*	*			trans	82.9	148.6	166.5	-48.1	0	0	0	0	118.6
2656	S	33.6	Very low	34.3	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	72%	0.715	S	S	*	*			cis	-177.6	147.7	-30.2	58.8	0	0	0	0	110.3
2657	L	35	Very low	34.5	Very low	165 Å²	165	130.7 Å²	130.7	86%	0.864	71%	0.714	S	S	*	*			trans	63.5	169.2	155.4	-62.2	162.6	0	0	0	117.3
2658	S	29.4	Very low	34.3	Very low	79 Å²	79	125.5 Å²	125.5	55%	0.552	70%	0.704	S	S	*	*			cis	-171.3	157.4	-39.8	-172.1	0	0	0	0	110.4
2659	N	31.2	Very low	34.3	Very low	140 Å²	140	126.3 Å²	126.3	75%	0.749	71%	0.708	S	S	*	*			trans	68.9	169.5	172.4	-50.4	-63.5	0	0	0	114.1
2660	R	33.6	Very low	34.2	Very low	199 Å²	199	126.8 Å²	126.8	75%	0.751	71%	0.709	S	S	*	*			cis	-157.1	122.5	18.7	-174.1	177.8	-89.7	-110.7	4.1	113.9
2661	M	31	Very low	34.2	Very low	136 Å²	136	127.4 Å²	127.4	67%	0.67	71%	0.709	S	S	*	*			trans	63.6	135	146.7	-61.5	168.2	74	0	0	118.4
2662	L	32.6	Very low	34.1	Very low	138 Å²	138	126.7 Å²	126.7	72%	0.723	71%	0.707	S	S	*	*				58	147.7	93.9	-50.8	165.7	0	0	0	114.1
2663	N	30.3	Very low	33.8	Very low	117 Å²	117	129.7 Å²	129.7	63%	0.626	71%	0.705	S	S	*	*			cis	-162.9	177.3	15.3	-144.9	2.9	0	0	0	111.8
2664	N	32.8	Very low	34	Very low	116 Å²	116	133.8 Å²	133.8	62%	0.62	71%	0.712	S	S	*	*			trans	64.5	150	146.7	-71.4	-2.9	0	0	0	118.9
2665	N	38.7	Very low	33.9	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	71%	0.712	S	S	*	*			cis	-128.7	152.1	-7	-78.8	-47.5	0	0	0	107.4
2666	N	32.8	Very low	34.2	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	71%	0.709	S	S	*	*				63.6	148.4	55.8	-74.5	-5.6	0	0	0	114.8
2667	N	40.2	Very low	33.9	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	72%	0.715	S	S	*	*			trans	84.2	143.7	176.5	-49.4	12	0	0	0	116.3
2668	D	35.5	Very low	33.7	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	70%	0.703	S	S	*	*			cis	-163.2	142.1	-33.7	-110.1	-21.5	0	0	0	111.3
2669	L	35.2	Very low	33.9	Very low	132 Å²	132	137.2 Å²	137.2	69%	0.691	72%	0.715	S	S	*	*			trans	30.4	125.5	132.9	-85.9	51.9	0	0	0	122.9
2670	I	32.1	Very low	34.1	Very low	141 Å²	141	135.9 Å²	135.9	72%	0.723	71%	0.713	S	S	*	*				78.9	161.7	129.8	-62.9	169.8	0	0	0	117.4
2671	M	37	Very low	34.2	Very low	151 Å²	151	132.1 Å²	132.1	74%	0.744	71%	0.712	S	S	*	*			trans	72	126.6	-175.7	-47.9	-54.1	-92.7	0	0	113.5
2672	N	38.6	Very low	34.4	Very low	123 Å²	123	133.4 Å²	133.4	66%	0.658	72%	0.716	S	S	*	*			cis	-144.8	138.7	-2.3	-79.8	-42.3	0	0	0	105.5
2673	K	31.7	Very low	34.8	Very low	190 Å²	190	132.5 Å²	132.5	83%	0.826	71%	0.711	S	S	*	*			cis	64.4	141.4	33.8	-124.4	-173.1	-173.5	-173.6	0	114.2
2674	L	35.4	Very low	35.2	Very low	146 Å²	146	134.7 Å²	134.7	76%	0.764	72%	0.718	S	S	*	*			trans	70.3	147.5	-176.4	-54.8	142.4	0	0	0	114.2
2675	L	31.7	Very low	35.3	Very low	154 Å²	154	136.6 Å²	136.6	81%	0.806	72%	0.723	S	S	*	*			cis	179.1	173.3	-35.6	-123.8	77.4	0	0	0	103.8
2676	P	39.3	Very low	35.4	Very low	109 Å²	109	137.4 Å²	137.4	71%	0.708	73%	0.727	S	S	*	*			trans	-101.1	-155.3	-161.4	42.8	-41.1	0	0	0	113.5
2677	S	27.9	Very low	35.7	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	72%	0.715	S	S	*	*			trans	79.1	158.3	174.9	102.2	0	0	0	0	112.8
2678	S	30	Very low	35.6	Very low	89 Å²	89	137.6 Å²	137.6	62%	0.622	72%	0.715	S	S	*	*			cis	-165.2	-159.6	-7.6	34.4	0	0	0	0	108.1
2679	Q	33.7	Very low	35.9	Very low	173 Å²	173	135.8 Å²	135.8	81%	0.808	70%	0.703	S	S	*	*			trans	80	137.1	166.8	-52.9	177.9	36.6	0	0	114.9
2680	T	35.3	Very low	36.2	Very low	112 Å²	112	136.4 Å²	136.4	69%	0.687	71%	0.705	S	S	*	*			cis	-151.2	126	-5.7	18.7	0	0	0	0	108.2
2681	T	35.9	Very low	36.6	Very low	119 Å²	119	135.8 Å²	135.8	73%	0.73	70%	0.702	S	S	*	*				85.2	148.6	79.1	-44.3	0	0	0	0	113.3
2682	Q	35	Very low	36.8	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	70%	0.698	S	S	*	*			trans	84.6	132.6	167.7	-59	-153.7	76.7	0	0	116.6
2683	L	42	Very low	36.9	Very low	120 Å²	120	136.3 Å²	136.3	63%	0.628	70%	0.699	S	S	*	*			cis	-156.1	148	-0.3	-89.6	143.2	0	0	0	111.9
2684	Q	38.7	Very low	37.2	Very low	163 Å²	163	135 Å²	135	76%	0.762	70%	0.696	S	S	*	*			trans	54.1	158.8	139.5	-67.1	171.2	-5.8	0	0	123.2
2685	H	35.5	Very low	37.3	Very low	155 Å²	155	133.1 Å²	133.1	72%	0.718	70%	0.695	S	S	*	*			cis	-179.3	142.5	-41.7	-113.1	140.2	0	0	0	112.3
2686	N	39.8	Very low	37.6	Very low	140 Å²	140	131.9 Å²	131.9	75%	0.749	69%	0.694	S	S	*	*			trans	65.8	162.2	151.1	-54.9	-24.4	0	0	0	119.8
2687	N	38.7	Very low	37.5	Very low	88 Å²	88	132.6 Å²	132.6	47%	0.471	69%	0.688	S	S	.	*			cis	-144.5	-150.8	-10.5	-147.6	-4.1	0	0	0	109.2
2688	Y	39.1	Very low	38	Very low	186 Å²	186	134.2 Å²	134.2	73%	0.729	68%	0.683	S	S	*	*			cis	-161.4	165.3	0.3	-126.6	-51.1	0	0	0	108.5	F1731	F1731-Y2688 WeakPolarHBondContact CZ-O 3.47Å
2689	Q	41.5	Very low	38.3	Very low	90 Å²	90	134.4 Å²	134.4	42%	0.421	67%	0.674	S	S	.	*				-145	-144.7	-89.7	-159	-170.8	17.1	0	0	109.3	F1731 T1732	F1731-Q2689 HydrophobicContact CD1-CB 4.15Å; F1731-Q2689 HydrophobicContact CD1-CG 3.59Å; F1731-Q2689 HydrophobicContact CE1-CB 3.81Å; F1731-Q2689 HydrophobicContact CE1-CG 3.77Å; F1731-Q2689 HydrophobicContact CG-CG 4.23Å; F1731-Q2689 HydrophobicContact CZ-CB 4.23Å; T1732-Q2689 PolarHBondContact OG1-NE2 3.12Å; T1732-Q2689 VanDerWaalsContact OG1-NE2 3.11Å
2690	I	41.2	Very low	38.4	Very low	145 Å²	145	131.2 Å²	131.2	74%	0.744	67%	0.67	S	S	*	*			trans	76.2	142.9	169.4	-71.5	169.4	0	0	0	115
2691	I	41.6	Very low	38.5	Very low	128 Å²	128	130.9 Å²	130.9	66%	0.656	67%	0.673	S	S	*	*			cis	-171.3	165.1	-11.7	-99.8	-176.9	0	0	0	105.1
2692	Q	40.6	Very low	38.5	Very low	141 Å²	141	130.3 Å²	130.3	66%	0.659	67%	0.674	S	S	*	*			cis	-178.6	177.5	-24.4	-84.8	172.3	-9.3	0	0	104.7
2693	Q	40.4	Very low	38.7	Very low	144 Å²	144	129.7 Å²	129.7	67%	0.673	68%	0.675	S	S	*	*			cis	-167.6	-170.6	-26.1	-95	-179.4	11.5	0	0	104.9
2694	Q	38.6	Very low	38.9	Very low	162 Å²	162	131 Å²	131	76%	0.757	68%	0.682	S	S	*	*			cis	-161.7	-162.8	4.2	-141.5	-177.1	83	0	0	109.5
2695	S	37.8	Very low	39	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	69%	0.687	S	S	*	*			trans	93.1	179.9	156.2	83.2	0	0	0	0	121
2696	T	37.6	Very low	39.2	Very low	128 Å²	128	124 Å²	124	79%	0.785	69%	0.685	S	S	*	*			trans	-173.2	159.9	-139.2	45.3	0	0	0	0	110.3
2697	E	36.5	Very low	39.2	Very low	123 Å²	123	125.6 Å²	125.6	58%	0.575	69%	0.69	S	S	*	*			cis	-149.7	-130.1	-5.4	-122.2	-118.4	-10.1	0	0	108.6	H2699	E2697-H2699 IonicContact OE1-CE1 2.74Å; E2697-H2699 PolarHBondContact OE1-CE1 3.28Å; E2697-H2699 IonicContact OE1-ND1 3.85Å; E2697-H2699 PolarHBondContact OE1-ND1 3.21Å; E2697-H2699 IonicContact OE1-NE2 2.64Å
2698	H	38.6	Very low	39.5	Very low	142 Å²	142	128 Å²	128	66%	0.657	70%	0.7	S	S	*	*			cis	-147.4	-117.4	5.9	-156.9	30.9	0	0	0	116.8
2699	H	36	Very low	39.5	Very low	94 Å²	94	125.7 Å²	125.7	44%	0.435	70%	0.701	S	S	.	*			trans	-140.4	129.3	-149.4	-81.5	3.9	0	0	0	118	E2697	E2697-H2699 IonicContact OE1-CE1 2.74Å; E2697-H2699 PolarHBondContact OE1-CE1 3.28Å; E2697-H2699 IonicContact OE1-ND1 3.85Å; E2697-H2699 PolarHBondContact OE1-ND1 3.21Å; E2697-H2699 IonicContact OE1-NE2 2.64Å
2700	S	36.6	Very low	39.6	Very low	105 Å²	105	126 Å²	126	73%	0.734	71%	0.709	S	S	*	*				87.5	104.3	128	-59	0	0	0	0	124.5
2701	S	36	Very low	39.7	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	71%	0.711	S	S	*	*				65.9	108.6	125.3	67.9	0	0	0	0	124.3
2702	S	37.3	Very low	39.5	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	71%	0.713	S	S	*	*				60.1	121.9	126.3	65.5	0	0	0	0	123.8
2703	D	39.1	Very low	39.7	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	72%	0.715	S	S	*	*			trans	-178.5	166.1	139.8	-96	-14.2	0	0	0	107.4
2704	I	45	Very low	39.8	Very low	148 Å²	148	127.2 Å²	127.2	76%	0.759	72%	0.719	S	S	*	*			cis	-177.2	148.2	-31.4	-105.1	177.7	0	0	0	105.7
2705	A	41.1	Very low	40.1	Very low	105 Å²	105	121.9 Å²	121.9	87%	0.868	71%	0.707	S	S	*	*			trans	71.4	159.2	161.8	0	0	0	0	0	122.8
2706	G	40.4	Very low	40.6	Very low	67 Å²	67	119.8 Å²	119.8	69%	0.691	69%	0.69	S	S	*	*			trans	108.3	114.7	-176.9	0	0	0	0	0	112.6
2707	M	39.8	Very low	41	Very low	172 Å²	172	117 Å²	117	85%	0.847	68%	0.675	S	S	*	*			cis	60.1	129.7	27.4	-63.9	171.8	59.6	0	0	112.8
2708	M	44.5	Very low	41.7	Very low	139 Å²	139	117.5 Å²	117.5	69%	0.685	68%	0.682	S	S	*	*			cis	-161.6	163.5	8.5	-153.9	86.7	159.6	0	0	109.9
2709	D	40.1	Very low	41.7	Very low	137 Å²	137	118.4 Å²	118.4	73%	0.733	69%	0.686	S	S	*	*			trans	53.4	158.3	144.2	-82	-14.3	0	0	0	122.7
2710	V	43.6	Very low	42.1	Very low	98 Å²	98	118.5 Å²	118.5	59%	0.594	70%	0.697	S	S	*	*			cis	-167.2	159.5	-26.5	80.5	0	0	0	0	111.2
2711	R	41.7	Very low	42.5	Very low	211 Å²	211	121.2 Å²	121.2	80%	0.796	70%	0.704	S	S	*	*			trans	67.3	121.6	157.7	-75.5	174.6	170.9	103.1	-2	123
2712	S	37.5	Very low	42.9	Very low	99 Å²	99	119.8 Å²	119.8	69%	0.692	70%	0.698	S	S	*	*				8.4	155	119.9	61.8	0	0	0	0	120.4
2713	N	46.4	Very low	43.2	Very low	130 Å²	130	120.4 Å²	120.4	70%	0.695	70%	0.703	S	S	*	*			cis	-169.5	170.1	37.3	-153.7	32.1	0	0	0	115.3
2714	D	41.3	Very low	43.4	Very low	142 Å²	142	118.8 Å²	118.8	76%	0.759	70%	0.703	S	S	*	*			trans	59.9	158	155.6	-79.5	-35	0	0	0	123
2715	G	45.8	Very low	43.5	Very low	50 Å²	50	115.1 Å²	115.1	52%	0.515	69%	0.685	S	S	.	*			trans	156.4	134.4	174.1	0	0	0	0	0	112.7	P2426	P2426-G2715 WeakPolarHBondContact CD-O 3.21Å; P2426-G2715 WeakPolarHBondContact CG-O 3.43Å
2716	T	46.7	Very low	44.2	Very low	63 Å²	63	113.7 Å²	113.7	39%	0.387	67%	0.667	S	S	.	*			trans	-143.6	151.6	-155.7	60.6	0	0	0	0	118.3	P2426 L2428	P2426-T2716 HydrophobicContact CG-CG2 4.3Å; P2426-T2716 CarbonylContact O-C 3.18Å; P2426-T2716 VanDerWaalsContact O-CA 3.26Å; P2426-T2716 WeakPolarHBondContact O-CA 3.45Å; P2426-T2716 WeakPolarHBondContact O-CB 3.32Å; L2428-T2716 HydrophobicContact CB-CG2 4.41Å; L2428-T2716 WeakPolarHBondContact O-CG2 3.44Å; L2428-T2716 PolarHBondContact O-OG1 3.02Å
2717	C	46.9	Very low	44.6	Very low	69 Å²	69	116.3 Å²	116.3	47%	0.466	66%	0.661	S	S	.	*			trans	65.2	164.5	165.2	-69.9	0	0	0	0	115.6	P2426	P2426-C2717 PolarHBondContact O-N 2.9Å
2718	D	50.4	Low	45	Very low	135 Å²	135	116.1 Å²	116.1	72%	0.722	66%	0.658	S	S	*	*			cis	-171.6	-178.2	-14	-101.8	-41.3	0	0	0	103.3
2719	E	39.2	Very low	44.8	Very low	161 Å²	161	113 Å²	113	75%	0.752	66%	0.661	S	S	*	*			cis	-155.9	171.8	-0.2	-135	-176.4	172.1	0	0	108.9
2720	S	44.4	Very low	45.3	Very low	95 Å²	95	112.6 Å²	112.6	66%	0.664	67%	0.668	S	S	*	*			trans	41.7	128	147.9	-59.2	0	0	0	0	123.2
2721	D	45.6	Very low	45.4	Very low	162 Å²	162	115.2 Å²	115.2	87%	0.866	68%	0.678	S	S	*	*				-170.2	160.3	94.1	-133.5	-23.1	0	0	0	117.9
2722	A	44.8	Very low	45.6	Very low	76 Å²	76	111.1 Å²	111.1	63%	0.628	67%	0.672	S	S	*	*			trans	40.6	90.8	150.7	0	0	0	0	0	124.4
2723	S	41.7	Very low	46.5	Very low	120 Å²	120	114 Å²	114	84%	0.839	68%	0.676	S	S	*	*				21.7	124.7	119.3	-54.4	0	0	0	0	123.4
2724	S	43.8	Very low	46.8	Very low	115 Å²	115	116 Å²	116	80%	0.804	68%	0.681	S	S	*	*				-174.2	148.1	127.5	46.2	0	0	0	0	112.4
2725	L	46.8	Very low	47	Very low	71 Å²	71	114.9 Å²	114.9	37%	0.372	67%	0.674	S	S	.	*			trans	-162.6	142.9	-164.2	-70.7	-177	0	0	0	111	S1949 R1950 R1951	S1949-L2725 CarbonylContact O-C 3.43Å; S1949-L2725 VanDerWaalsContact O-CA 3.3Å; S1949-L2725 WeakPolarHBondContact O-CA 3.43Å; S1949-L2725 WeakPolarHBondContact O-CB 3.14Å; S1949-L2725 VanDerWaalsContact O-CD2 3.28Å; S1949-L2725 WeakPolarHBondContact O-CD2 3.34Å; S1949-L2725 WeakPolarHBondContact OG-CD2 3.32Å; R1950-L2725 HydrophobicContact CB-CD1 3.99Å; R1950-L2725 HydrophobicContact CB-CD2 3.95Å; R1951-L2725 HydrophobicContact CB-CD1 3.68Å; R1951-L2725 HydrophobicContact CG-CD1 3.45Å; R1951-L2725 VanDerWaalsContact CG-CD1 3.45Å
2726	P	55.7	Low	47.1	Very low	76 Å²	76	117 Å²	117	49%	0.494	69%	0.687	S	S	.	*				-146.9	165.4	126.7	39.4	-25.5	0	0	0	118.2	G1948 S1949	G1948-P2726 CarbonylContact C-O 3.48Å; G1948-P2726 WeakPolarHBondContact O-CD 3.48Å; S1949-P2726 VanDerWaalsContact C-C 3.5Å; S1949-P2726 CarbonylContact C-O 2.98Å; S1949-P2726 WeakPolarHBondContact CA-O 3.36Å; S1949-P2726 PolarHBondContact N-O 2.9Å; S1949-P2726 CarbonylContact O-C 3.56Å; S1949-P2726 VanDerWaalsContact O-CA 3.31Å; S1949-P2726 WeakPolarHBondContact O-CA 3.44Å
2727	E	48.8	Very low	47.7	Very low	121 Å²	121	122.1 Å²	122.1	57%	0.565	71%	0.706	S	S	*	*			trans	-53.2	177.3	164.9	-47.3	-176.5	84.3	0	0	114.5
2728	Q	48.4	Very low	47.7	Very low	169 Å²	169	125 Å²	125	79%	0.79	72%	0.716	S	S	*	*			cis	-162.5	175.7	13.1	-145.2	167.8	69.1	0	0	109.7
2729	G	40.6	Very low	47.3	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	73%	0.726	S	S	*	*			trans	123.2	121.5	162.9	0	0	0	0	0	115.7
2730	C	51.8	Low	47.8	Very low	130 Å²	130	130 Å²	130	88%	0.878	73%	0.728	S	S	*	*			trans	-121.6	155.2	-179.7	-62.1	0	0	0	0	111.2
2731	D	45	Very low	47.9	Very low	152 Å²	152	129.9 Å²	129.9	81%	0.813	73%	0.728	S	S	*	*			trans	-133.6	154.3	158.2	-162.4	9	0	0	0	111.4
2732	L	46.8	Very low	48.1	Very low	126 Å²	126	127.1 Å²	127.1	66%	0.66	73%	0.727	S	S	*	*			trans	-110.9	17.3	-139.3	-92.5	159.2	0	0	0	116.1	H2734 L2735	L2732-H2734 PolarHBondContact O-N 2.87Å; L2732-L2735 HydrophobicContact CD2-CD1 3.94Å
2733	M	55.3	Low	49.1	Very low	158 Å²	158	134 Å²	134	78%	0.778	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-71.5	-19.2	-171.9	-78.3	-73.9	-79.2	0	0	116.4
2734	H	53.2	Low	50.7	Low	173 Å²	173	133.7 Å²	133.7	80%	0.801	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-89.4	-2.2	-170.5	-79.8	101.6	0	0	0	116.4	L2732 A2736	L2732-H2734 PolarHBondContact O-N 2.87Å; H2734-A2736 VanDerWaalsContact C-N 3.29Å; H2734-A2736 PolarHBondContact O-N 3.14Å
2735	L	46.2	Very low	52.3	Low	119 Å²	119	131 Å²	131	62%	0.623	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-75.8	-12	178.3	-82.9	168.1	0	0	0	114.4	L2732 Q2737 L2738	L2732-L2735 HydrophobicContact CD2-CD1 3.94Å; L2735-Q2737 PolarHBondContact O-N 3.18Å; L2735-L2738 HydrophobicContact CD2-CD1 4.19Å
2736	A	47.3	Very low	54	Low	95 Å²	95	131.4 Å²	131.4	79%	0.785	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-72.3	-4.2	-176.1	0	0	0	0	0	115.6	H2734	H2734-A2736 VanDerWaalsContact C-N 3.29Å; H2734-A2736 PolarHBondContact O-N 3.14Å
2737	Q	58.4	Low	55.3	Low	169 Å²	169	128.8 Å²	128.8	79%	0.79	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-125.8	3.1	-172.9	-68	-174	-3.9	0	0	115.7	L2735 R2739	L2735-Q2737 PolarHBondContact O-N 3.18Å; Q2737-R2739 PolarHBondContact O-N 2.91Å; Q2737-R2739 VanDerWaalsContact O-N 3.14Å
2738	L	47.5	Very low	56.9	Low	129 Å²	129	127.3 Å²	127.3	68%	0.675	69%	0.693	S	S	*	*			trans	-73.8	107	173.4	-81.9	173.1	0	0	0	111.2	L2735 I2740	L2735-L2738 HydrophobicContact CD2-CD1 4.19Å; L2738-I2740 VanDerWaalsContact C-N 3.29Å; L2738-I2740 PolarHBondContact O-N 3.13Å
2739	R	42.7	Very low	58.6	Low	246 Å²	246	123.9 Å²	123.9	93%	0.928	68%	0.68	S	S	*	*			trans	-68	75.1	178.3	-65.2	-175.2	178.3	106.2	-3.5	112.6	Q2737 S2741	Q2737-R2739 PolarHBondContact O-N 2.91Å; Q2737-R2739 VanDerWaalsContact O-N 3.14Å; R2739-S2741 PolarHBondContact O-N 3.36Å
2740	I	49.7	Very low	60.8	Low	156 Å²	156	124 Å²	124	80%	0.8	66%	0.664	S	S	*	*			trans	-74.3	109.9	167.8	-57	-179.1	0	0	0	108.4	L2738 A2742	L2738-I2740 VanDerWaalsContact C-N 3.29Å; L2738-I2740 PolarHBondContact O-N 3.13Å; I2740-A2742 PolarHBondContact O-N 2.82Å
2741	S	44.6	Very low	62.5	Low	93 Å²	93	122.3 Å²	122.3	65%	0.65	65%	0.645	S	S	*	*			trans	-69.7	103.4	-177.7	59.2	0	0	0	0	111.4	R2739 R2743	R2739-S2741 PolarHBondContact O-N 3.36Å; S2741-R2743 PolarHBondContact O-N 2.97Å
2742	A	50.2	Low	64.4	Low	103 Å²	103	117.4 Å²	117.4	85%	0.851	63%	0.626	S	S	*	*			trans	-70.3	63	173.4	0	0	0	0	0	112.4	I2740	I2740-A2742 PolarHBondContact O-N 2.82Å
2743	R	65.6	Low	66.5	Low	220 Å²	220	116.2 Å²	116.2	83%	0.83	62%	0.615	S	S	*	*			trans	-82.4	118.1	166.7	-74.7	-175.8	171.4	-179	-1.7	108.1	S2741 N2745	S2741-R2743 PolarHBondContact O-N 2.97Å; R2743-N2745 PolarHBondContact O-N 2.99Å
2744	P	76.2	Confident	68	Low	114 Å²	114	113.5 Å²	113.5	74%	0.74	60%	0.601	S	S	*	*			trans	-61.1	136.6	175.4	26.1	-33.5	0	0	0	109.4	P2746	P2744-P2746 VanDerWaalsContact O-CD 3.24Å; P2744-P2746 WeakPolarHBondContact O-CD 3.26Å
2745	N	78.6	Confident	69.6	Low	59 Å²	59	111.1 Å²	111.1	32%	0.316	59%	0.59	S	S	.	*			trans	-59	109.3	177.7	179.7	16	0	0	0	108.8	R2743 L2747 L2748	R2743-N2745 PolarHBondContact O-N 2.99Å; N2745-L2747 PolarHBondContact O-N 2.74Å; N2745-L2747 WeakPolarHBondContact OD1-CB 3.18Å; N2745-L2747 WeakPolarHBondContact OD1-CG 3.37Å; N2745-L2748 HydrophobicContact CB-CD1 4.34Å; N2745-L2748 PolarHBondContact O-N 3.02Å; N2745-L2748 VanDerWaalsContact O-N 3.13Å
2746	P	81	Confident	71.7	Confident	80 Å²	80	109.8 Å²	109.8	52%	0.519	59%	0.586	S	S	.	*	H	α-helix	trans	-59.2	-26.1	-170.3	19.3	-29	0	0	0	112.3	P2744 L2748 N2749 D2750	P2744-P2746 VanDerWaalsContact O-CD 3.24Å; P2744-P2746 WeakPolarHBondContact O-CD 3.26Å; P2746-L2748 VanDerWaalsContact C-N 3.33Å; P2746-L2748 PolarHBondContact O-N 3.31Å; P2746-N2749 WeakPolarHBondContact O-CB 3.31Å; P2746-N2749 PolarHBondContact O-N 3.39Å; P2746-N2749 VanDerWaalsContact O-N 3.09Å; P2746-D2750 PolarHBondContact O-N 2.64Å
2747	L	83.5	Confident	73.6	Confident	21 Å²	21	112 Å²	112	11%	0.11	58%	0.581	C	S	.	*	H	α-helix	trans	-69.6	-27.8	-173.5	-46	-174	0	0	0	112.5	N2745 L2751	N2745-L2747 PolarHBondContact O-N 2.74Å; N2745-L2747 WeakPolarHBondContact OD1-CB 3.18Å; N2745-L2747 WeakPolarHBondContact OD1-CG 3.37Å; L2747-L2751 PolarHBondContact O-N 2.88Å
2748	L	81.4	Confident	74.9	Confident	90 Å²	90	112.4 Å²	112.4	47%	0.471	58%	0.575	S	S	.	*	H	α-helix	trans	-76.5	-32.2	171.4	-80.7	168.9	0	0	0	112.5	N2745 P2746 A2752	N2745-L2748 HydrophobicContact CB-CD1 4.34Å; N2745-L2748 PolarHBondContact O-N 3.02Å; N2745-L2748 VanDerWaalsContact O-N 3.13Å; P2746-L2748 VanDerWaalsContact C-N 3.33Å; P2746-L2748 PolarHBondContact O-N 3.31Å; L2748-A2752 PolarHBondContact O-N 2.88Å; L2748-A2752 VanDerWaalsContact O-N 3.11Å
2749	N	84.7	Confident	76.8	Confident	97 Å²	97	112.4 Å²	112.4	52%	0.519	58%	0.576	S	S	.	*	H	α-helix	trans	-71.8	-38.8	-179.3	-164.8	-0.8	0	0	0	110.8	P2746 A2752 K2753	P2746-N2749 WeakPolarHBondContact O-CB 3.31Å; P2746-N2749 PolarHBondContact O-N 3.39Å; P2746-N2749 VanDerWaalsContact O-N 3.09Å; N2749-A2752 PolarHBondContact O-N 2.94Å; N2749-K2753 WeakPolarHBondContact O-CG 3.1Å; N2749-K2753 PolarHBondContact O-N 3.35Å; N2749-K2753 VanDerWaalsContact O-N 3.11Å
2750	D	86	Confident	78.9	Confident	74 Å²	74	107 Å²	107	40%	0.396	57%	0.565	S	S	.	*	H	α-helix	trans	-73.8	-31.7	176.5	-64.8	-29.3	0	0	0	112.6	P2746 K2753 Q2754	P2746-D2750 PolarHBondContact O-N 2.64Å; D2750-K2753 PolarHBondContact O-N 2.88Å; D2750-K2753 IonicContact OD1-NZ 2.68Å; D2750-K2753 PolarHBondContact OD1-NZ 3.04Å; D2750-Q2754 WeakPolarHBondContact O-CG 3.35Å; D2750-Q2754 PolarHBondContact O-N 3.36Å
2751	L	89.4	Confident	79.9	Confident	94 Å²	94	111.2 Å²	111.2	49%	0.492	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-44	170.2	-172	67.5	0	0	0	111.9	L2747 K2753 Q2754 Q2755	L2747-L2751 PolarHBondContact O-N 2.88Å; L2751-K2753 PolarHBondContact O-N 2.78Å; L2751-Q2754 PolarHBondContact O-N 3.11Å; L2751-Q2755 PolarHBondContact O-N 2.64Å
2752	A	84.9	Confident	81.7	Confident	49 Å²	49	112.1 Å²	112.1	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-61.6	-41.7	175.9	0	0	0	0	0	112.1	L2748 N2749 Q2754 Q2755 V2756	L2748-A2752 PolarHBondContact O-N 2.88Å; L2748-A2752 VanDerWaalsContact O-N 3.11Å; N2749-A2752 PolarHBondContact O-N 2.94Å; A2752-Q2754 PolarHBondContact O-N 2.96Å; A2752-Q2755 PolarHBondContact O-N 3.4Å; A2752-V2756 WeakPolarHBondContact O-CG2 3.3Å; A2752-V2756 PolarHBondContact O-N 2.79Å
2753	K	89.9	Confident	83.4	Confident	102 Å²	102	112.6 Å²	112.6	44%	0.443	56%	0.559	S	S	.	*	H	α-helix	trans	-62	-41.1	173.5	-67.8	169.3	-157.5	161.2	0	112.3	N2749 D2750 L2751 V2756 Q2757	N2749-K2753 WeakPolarHBondContact O-CG 3.1Å; N2749-K2753 PolarHBondContact O-N 3.35Å; N2749-K2753 VanDerWaalsContact O-N 3.11Å; D2750-K2753 PolarHBondContact O-N 2.88Å; D2750-K2753 IonicContact OD1-NZ 2.68Å; D2750-K2753 PolarHBondContact OD1-NZ 3.04Å; L2751-K2753 PolarHBondContact O-N 2.78Å; K2753-V2756 PolarHBondContact O-N 3.5Å; K2753-Q2757 WeakPolarHBondContact O-CB 3.04Å; K2753-Q2757 PolarHBondContact O-N 2.75Å
2754	Q	87.5	Confident	84.3	Confident	100 Å²	100	106.6 Å²	106.6	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-67.3	-33	177.9	-74.3	-170.6	22.5	0	0	113.1	D2750 L2751 A2752 R2758	D2750-Q2754 WeakPolarHBondContact O-CG 3.35Å; D2750-Q2754 PolarHBondContact O-N 3.36Å; L2751-Q2754 PolarHBondContact O-N 3.11Å; A2752-Q2754 PolarHBondContact O-N 2.96Å; Q2754-R2758 WeakPolarHBondContact O-CB 3.26Å; Q2754-R2758 PolarHBondContact O-N 3.14Å
2755	Q	87	Confident	84.8	Confident	123 Å²	123	106.2 Å²	106.2	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-67.7	-43.7	170.3	-77	-173.8	-60.5	0	0	111.6	L2751 A2752 Q2757 R2758 N2759	L2751-Q2755 PolarHBondContact O-N 2.64Å; A2752-Q2755 PolarHBondContact O-N 3.4Å; Q2755-Q2757 VanDerWaalsContact C-N 3.3Å; Q2755-Q2757 PolarHBondContact O-N 3.07Å; Q2755-R2758 PolarHBondContact O-N 3.14Å; Q2755-N2759 WeakPolarHBondContact O-CB 3.21Å; Q2755-N2759 PolarHBondContact O-N 3.11Å; Q2755-N2759 PolarHBondContact O-OD1 3.45Å
2756	V	89.6	Confident	85.2	Confident	91 Å²	91	109.1 Å²	109.1	55%	0.552	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-33.8	175.9	175	0	0	0	0	111.8	A2752 K2753 N2760	A2752-V2756 WeakPolarHBondContact O-CG2 3.3Å; A2752-V2756 PolarHBondContact O-N 2.79Å; K2753-V2756 PolarHBondContact O-N 3.5Å; V2756-N2760 PolarHBondContact O-N 2.81Å; V2756-N2760 PolarHBondContact O-ND2 3.4Å
2757	Q	86.4	Confident	85.5	Confident	143 Å²	143	111.1 Å²	111.1	67%	0.668	55%	0.548	S	S	*	.	H	α-helix	trans	-75.8	-28.4	173.9	-77.4	-175.1	-30.5	0	0	114	K2753 Q2755	K2753-Q2757 WeakPolarHBondContact O-CB 3.04Å; K2753-Q2757 PolarHBondContact O-N 2.75Å; Q2755-Q2757 VanDerWaalsContact C-N 3.3Å; Q2755-Q2757 PolarHBondContact O-N 3.07Å
2758	R	86.7	Confident	85.6	Confident	176 Å²	176	117.5 Å²	117.5	66%	0.664	58%	0.58	S	S	*	*	H	α-helix	trans	-74.7	-32.9	171.8	-83.9	-169.5	174.4	90.7	-4.8	113	Q2754 Q2755	Q2754-R2758 WeakPolarHBondContact O-CB 3.26Å; Q2754-R2758 PolarHBondContact O-N 3.14Å; Q2755-R2758 PolarHBondContact O-N 3.14Å
2759	N	87.4	Confident	86	Confident	129 Å²	129	119.6 Å²	119.6	69%	0.69	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	2.4	-177.1	-64.1	13.4	0	0	0	113.8	Q2755	Q2755-N2759 WeakPolarHBondContact O-CB 3.21Å; Q2755-N2759 PolarHBondContact O-N 3.11Å; Q2755-N2759 PolarHBondContact O-OD1 3.45Å
2760	N	85.9	Confident	86.1	Confident	132 Å²	132	121.5 Å²	121.5	71%	0.706	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.5	24.4	171	-69.7	-72.9	0	0	0	111.3	V2756	V2756-N2760 PolarHBondContact O-N 2.81Å; V2756-N2760 PolarHBondContact O-ND2 3.4Å
2761	K	72.3	Confident	86.1	Confident	245 Å²	245	125.8 Å²	125.8	100%	1.065	61%	0.612	S	S	*	*			trans	-121.3	0	164.8	-93.1	-162.1	168.4	-161.3	0	108.1

Retrieved 2,761 of 2,761 residues in 2756.3 ms (Link to these results)

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