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Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1

S-adenosyl-L-methionine-dependent methyltransferase that mediates RNA cap1 2'-O-ribose methylation to the 5'-cap structure of RNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA to produce m(7)GpppNmp (cap1). S-adenosyl-L-methionine-dependent methyltransferase that mediates mRNA cap1 2'-O-ribose methylation to the 5'-cap structure of mRNAs. Methylates the ribose of the first nucleotide of a m(7)GpppG-capped mRNA and small nuclear RNA (snRNA) to produce m(7)GpppRm (cap1). Displays a preference for cap0 transcripts. Cap1 modification is linked to higher levels of translation. May be involved in the interferon response pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KKG3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 932 aa.

						>A0A3Q0KKG3_SCHMA|A0A3Q0KKG3
MSDERPMKKAEKHKLSDPLDDVAWKIMRKMGYEHGQGLGVNAHGVVEPVALSKQKGRSGLGSVKTTSSSDKKIESFSGELYQSSNPNLVWHEGCDDDYTTADGDYTWSWSMEGECPTNTLSELKSLIISPDEPEALGPPIEELDNEDKFCSIHLVQEVLNYKNQLDYLSKLNVTKSHERCNPYELIKKGIFMNRAAMKMANIDSIFNGMFTTAAPKDDILYFADICAGPGGFSEYTLWRRCNAPYHTHSSNTTLSPNHHSNINDKLLEDTMESIDHNSPTNNTSTTSEKQQPLLSAKGFGLTLTGQCDFRENDFLAGPKEAFMAHYGAERDGDVTKWSNLASFASFIGRSTNNAGVHILMADGGFDVSSQYNLQEVMSKQLYLCQCLCALINLRPGGHFLTKLFDTFTEFTIDIIYIMGYLFEEIYIIKPVTSRPANSERYLVCKNLRSPLNTMAGCLPAPKSSSSSMTSHSDSTDQKSSFRQKTRKFPGQHHQQQTTITNSVVDDMEASKKFGILTDIKESGSLGLVINHFLQVNEKLNQIKTNQSLSSTNPKLDVLRICHTEMIERDDKFMQFIQGMNEDLAKHQCVALSKLLAFSQNHSLTETRQDELYRACLEKWKIPITERRPIPWPLLSTNRSAIIRRLLGDSENFTSLNALPSDYRPNIRLTPFTNANINNLDILYHSRIALVCGNPSITSTSEPAQPMFIYSHGSAVTDTYCTVDGDQWNRLDQMIPRLNPRLPPSTLIWGQPFYEYAVKNGLRKHGLFIYDVVCIYGRDCRKLPYRKRMELAEQMTNIINFPNMTSSNVRVPPFLRLSELVNYVKKLPLLPCKDSPTLVPMHCLPDGFTFQPHSLLLVQHMTDNWTEEISRSTGKLYYFNRLKSESTFDLPESEHLSFTETHFTNLPWITEQKYCPSVTTLIQYLEKMSDPYS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE 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	32	Very low	31.6	Very low	250 Å²	250	179.3 Å²	179.3	100%	1.232	90%	0.904	S	S	*	*				0	95.7	0	-67.9	176.1	129.8	0	0	105.4
2	S	33.1	Very low	31.6	Very low	124 Å²	124	180.9 Å²	180.9	87%	0.867	90%	0.901	S	S	*	*			cis	-145.2	152	30.6	36.2	0	0	0	0	110.2
3	D	29.4	Very low	31.6	Very low	158 Å²	158	180.5 Å²	180.5	85%	0.845	89%	0.894	S	S	*	*			trans	-60.7	149.4	-177.6	-74.9	-60.1	0	0	0	115.8
4	E	33	Very low	31.6	Very low	194 Å²	194	181.6 Å²	181.6	91%	0.907	89%	0.891	S	S	*	*				178	151.6	108.1	-95.3	-172.1	168.4	0	0	113.7
5	R	29.1	Very low	31.8	Very low	238 Å²	238	181.5 Å²	181.5	90%	0.898	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-83.7	160.9	-164.1	-55	169.5	-158.5	177.7	5.1	114.2
6	P	35.6	Very low	32.3	Very low	131 Å²	131	176.6 Å²	176.6	85%	0.851	88%	0.884	S	S	*	*	P	Polyproline II helix	trans	-92.8	127.4	163.9	33.7	-26.3	0	0	0	112.5
7	M	31.5	Very low	32.8	Very low	185 Å²	185	170.5 Å²	170.5	91%	0.911	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-78.2	140	170.8	-75.9	-177.5	84.1	0	0	112.3
8	K	30.8	Very low	33.6	Very low	209 Å²	209	165.4 Å²	165.4	91%	0.909	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-60.8	127.7	166.5	-72.4	175.8	173.9	179	0	110.8
9	K	30.9	Very low	34.1	Very low	208 Å²	208	163.4 Å²	163.4	90%	0.904	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.4	163.8	-86.4	-179.5	175.2	176.7	0	109.3
10	A	32	Very low	35	Very low	94 Å²	94	161.5 Å²	161.5	78%	0.777	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-83.8	121.4	162.1	0	0	0	0	0	108.6	K12	A10-K12 PolarHBondContact O-N 2.63Å
11	E	30.6	Very low	36.7	Very low	181 Å²	181	157.9 Å²	157.9	85%	0.846	80%	0.802	S	S	*	*			trans	-71.1	108.6	170	-78.2	-179.5	146.6	0	0	109.6	H13	E11-H13 PolarHBondContact O-N 2.61Å
12	K	30.6	Very low	38.8	Very low	199 Å²	199	150.8 Å²	150.8	87%	0.865	77%	0.772	S	S	*	*			trans	-80.8	103.3	160.4	-80.3	-176.6	174.7	-177.8	0	108	A10 K14	A10-K12 PolarHBondContact O-N 2.63Å; K12-K14 PolarHBondContact O-N 2.93Å; K12-K14 VanDerWaalsContact O-N 3.11Å
13	H	32.3	Very low	40.4	Very low	176 Å²	176	147 Å²	147	82%	0.815	75%	0.749	S	S	*	*			trans	-60.6	109.6	161.7	-94.5	-75.5	0	0	0	109	E11	E11-H13 PolarHBondContact O-N 2.61Å
14	K	31.7	Very low	42.4	Very low	195 Å²	195	141.3 Å²	141.3	85%	0.848	72%	0.715	S	S	*	*			trans	-72.2	119.8	162	-80.6	-178.7	172.9	-177.5	0	107.7	K12 S16	K12-K14 PolarHBondContact O-N 2.93Å; K12-K14 VanDerWaalsContact O-N 3.11Å; K14-S16 PolarHBondContact O-N 3.14Å; K14-S16 VanDerWaalsContact O-N 3.16Å
15	L	34.8	Very low	44.4	Very low	181 Å²	181	136.8 Å²	136.8	95%	0.948	69%	0.693	S	S	*	*			trans	-66.2	107.1	166.6	-137.9	85.8	0	0	0	107.1
16	S	40.1	Very low	46.6	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	67%	0.674	S	S	*	*			trans	-80.7	124.2	171.6	53.6	0	0	0	0	109.1	K14	K14-S16 PolarHBondContact O-N 3.14Å; K14-S16 VanDerWaalsContact O-N 3.16Å
17	D	39.8	Very low	48.3	Very low	73 Å²	73	126.5 Å²	126.5	39%	0.39	65%	0.646	S	S	.	*			trans	-50.5	122.6	171.3	-98.2	-20.8	0	0	0	111.1	L19 H34	D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.3Å; D17-H34 IonicContact OD1-CE1 3.43Å; D17-H34 PolarHBondContact OD1-CE1 3.31Å; D17-H34 VanDerWaalsContact OD1-CE1 3.23Å; D17-H34 IonicContact OD1-ND1 3.53Å; D17-H34 PolarHBondContact OD1-ND1 3.18Å; D17-H34 IonicContact OD2-CE1 3.14Å; D17-H34 PolarHBondContact OD2-CE1 3.16Å; D17-H34 VanDerWaalsContact OD2-CE1 3.24Å; D17-H34 IonicContact OD2-CG 3.33Å; D17-H34 IonicContact OD2-ND1 2.71Å; D17-H34 PolarHBondContact OD2-ND1 2.98Å
18	P	46.8	Very low	50.4	Low	79 Å²	79	123.4 Å²	123.4	51%	0.513	62%	0.624	S	S	.	*			trans	-76.6	91.1	171.6	30.2	-28.5	0	0	0	107.9	D20	P18-D20 PolarHBondContact O-N 3.25Å
19	L	43	Very low	52.7	Low	127 Å²	127	122.4 Å²	122.4	67%	0.665	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	5	-172	-95.5	148	0	0	0	116.1	D17	D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.3Å
20	D	52.3	Low	54.6	Low	125 Å²	125	119.4 Å²	119.4	67%	0.668	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	10	-174.6	-115.9	-17.9	0	0	0	117.3	P18 K25	P18-D20 PolarHBondContact O-N 3.25Å; D20-K25 IonicContact OD1-NZ 3.79Å; D20-K25 PolarHBondContact OD1-NZ 3.17Å
21	D	72.1	Confident	56.6	Low	86 Å²	86	117.8 Å²	117.8	46%	0.46	60%	0.603	S	S	.	*			trans	-72.2	133.7	173.5	-158.8	-27.3	0	0	0	111.6	A23 W24 K25	D21-A23 PolarHBondContact O-N 3.5Å; D21-A23 PolarHBondContact OD1-N 2.89Å; D21-A23 VanDerWaalsContact OD1-N 3.15Å; D21-W24 HydrophobicContact CB-CB 4.5Å; D21-W24 HydrophobicContact CB-CG 4.44Å; D21-W24 PolarHBondContact O-N 3.46Å; D21-W24 VanDerWaalsContact O-N 3.15Å; D21-K25 PolarHBondContact O-N 3.23Å
22	V	75.5	Confident	58.6	Low	100 Å²	100	110.4 Å²	110.4	61%	0.606	57%	0.568	S	S	*	*	H	α-helix	trans	-56.9	-36.4	175.9	175.8	0	0	0	0	110.6	W24 K25 I26	V22-W24 PolarHBondContact O-N 2.99Å; V22-K25 PolarHBondContact O-N 3.47Å; V22-I26 HydrophobicContact CG1-CD1 4.07Å; V22-I26 WeakPolarHBondContact O-CG1 3.19Å; V22-I26 PolarHBondContact O-N 2.91Å
23	A	66.8	Low	60.7	Low	46 Å²	46	106.5 Å²	106.5	38%	0.38	55%	0.553	S	S	.	*	H	α-helix	trans	-61	-44.4	177.6	0	0	0	0	0	112.1	D21 K25 I26 M27	D21-A23 PolarHBondContact O-N 3.5Å; D21-A23 PolarHBondContact OD1-N 2.89Å; D21-A23 VanDerWaalsContact OD1-N 3.15Å; A23-K25 VanDerWaalsContact C-N 3.35Å; A23-K25 PolarHBondContact O-N 3.42Å; A23-I26 PolarHBondContact O-N 3.35Å; A23-M27 WeakPolarHBondContact O-CG 3.37Å; A23-M27 PolarHBondContact O-N 3.06Å
24	W	71	Confident	62.5	Low	38 Å²	38	104.4 Å²	104.4	14%	0.144	54%	0.543	C	S	.	.	H	α-helix	trans	-67.6	-33.2	177.9	-75.4	120.3	0	0	0	112.8	D21 V22 M27 R28 Y32 P48	D21-W24 HydrophobicContact CB-CB 4.5Å; D21-W24 HydrophobicContact CB-CG 4.44Å; D21-W24 PolarHBondContact O-N 3.46Å; D21-W24 VanDerWaalsContact O-N 3.15Å; V22-W24 PolarHBondContact O-N 2.99Å; W24-M27 HydrophobicContact CD2-CE 3.87Å; W24-M27 HydrophobicContact CE3-CE 3.48Å; W24-M27 VanDerWaalsContact CE3-CE 3.48Å; W24-M27 HydrophobicContact CE3-SD 4.5Å; W24-M27 HydrophobicContact CH2-CE 4.14Å; W24-M27 HydrophobicContact CZ3-CE 3.57Å; W24-M27 HydrophobicContact CZ3-SD 4.33Å; W24-R28 PolarHBondContact O-N 2.93Å; W24-Y32 HydrophobicContact CE3-CD1 4.08Å; W24-Y32 AromaticContact CE3-CE1 3.68Å; W24-Y32 HydrophobicContact CE3-CE1 3.68Å; W24-Y32 HydrophobicContact CH2-CE1 4.13Å; W24-Y32 AromaticContact CH2-CZ 3.9Å; W24-Y32 WeakPolarHBondContact CH2-OH 3.37Å; W24-Y32 AromaticContact CZ3-CD1 3.86Å; W24-Y32 HydrophobicContact CZ3-CD1 3.86Å; W24-Y32 AromaticContact CZ3-CE1 3.16Å; W24-Y32 HydrophobicContact CZ3-CE1 3.16Å; W24-Y32 HydrophobicContact CZ3-CE2 4.08Å; W24-Y32 AromaticContact CZ3-CZ 3.28Å; W24-Y32 WeakPolarHBondContact CZ3-OH 3.15Å; W24-P48 HydrophobicContact CH2-CG 3.92Å; W24-P48 HydrophobicContact CZ2-CG 4.06Å
25	K	74.2	Confident	64.3	Low	99 Å²	99	97.4 Å²	97.4	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-67	-38.1	173.7	-75.4	175.7	-177.4	159.7	0	112.1	D20 D21 V22 A23 K29	D20-K25 IonicContact OD1-NZ 3.79Å; D20-K25 PolarHBondContact OD1-NZ 3.17Å; D21-K25 PolarHBondContact O-N 3.23Å; V22-K25 PolarHBondContact O-N 3.47Å; A23-K25 VanDerWaalsContact C-N 3.35Å; A23-K25 PolarHBondContact O-N 3.42Å; K25-K29 PolarHBondContact O-N 2.91Å
26	I	76.6	Confident	66.1	Low	97 Å²	97	93 Å²	93	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-68.3	-46	174.8	-66.9	170.4	0	0	0	110.4	V22 A23 R28 K29 M30	V22-I26 HydrophobicContact CG1-CD1 4.07Å; V22-I26 WeakPolarHBondContact O-CG1 3.19Å; V22-I26 PolarHBondContact O-N 2.91Å; A23-I26 PolarHBondContact O-N 3.35Å; I26-R28 PolarHBondContact O-N 3.08Å; I26-K29 WeakPolarHBondContact O-CB 3.34Å; I26-K29 PolarHBondContact O-N 3.33Å; I26-K29 VanDerWaalsContact O-N 3.11Å; I26-M30 PolarHBondContact O-N 3.39Å
27	M	70.5	Confident	67.4	Low	55 Å²	55	88.4 Å²	88.4	27%	0.271	47%	0.469	S	S	.	.	H	α-helix	trans	-60.7	-43.1	179.3	-74.3	-163.9	-85.1	0	0	112.3	A23 W24 K29 M30 G31 Y32	A23-M27 WeakPolarHBondContact O-CG 3.37Å; A23-M27 PolarHBondContact O-N 3.06Å; W24-M27 HydrophobicContact CD2-CE 3.87Å; W24-M27 HydrophobicContact CE3-CE 3.48Å; W24-M27 VanDerWaalsContact CE3-CE 3.48Å; W24-M27 HydrophobicContact CE3-SD 4.5Å; W24-M27 HydrophobicContact CH2-CE 4.14Å; W24-M27 HydrophobicContact CZ3-CE 3.57Å; W24-M27 HydrophobicContact CZ3-SD 4.33Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 3.35Å; M27-M30 CarbonylContact O-C 3.57Å; M27-M30 WeakPolarHBondContact O-CA 3.28Å; M27-M30 PolarHBondContact O-N 3.28Å; M27-G31 PolarHBondContact O-N 3.01Å; M27-Y32 VanDerWaalsContact C-CB 3.49Å; M27-Y32 HydrophobicContact CB-CD1 4.46Å; M27-Y32 HydrophobicContact CB-CG 4.2Å; M27-Y32 WeakPolarHBondContact O-CB 3.44Å; M27-Y32 PolarHBondContact O-N 2.75Å; M27-Y32 VanDerWaalsContact O-N 3.11Å
28	R	76.1	Confident	68.7	Low	121 Å²	121	89 Å²	89	46%	0.457	47%	0.472	S	S	.	.	H	α-helix	trans	-60.4	-36.8	174.1	-88.7	-175.3	-115.2	133.7	-0.8	113.2	W24 I26 M30 G31	W24-R28 PolarHBondContact O-N 2.93Å; I26-R28 PolarHBondContact O-N 3.08Å; R28-M30 PolarHBondContact O-N 3.08Å; R28-G31 PolarHBondContact O-N 3.14Å
29	K	78.7	Confident	69.6	Low	188 Å²	188	87.6 Å²	87.6	82%	0.817	47%	0.472	S	S	*	.	H	α-helix	trans	-65.8	-23.8	174.9	-80.8	-175.6	175.8	-178.1	0	113.1	K25 I26 M27 G31	K25-K29 PolarHBondContact O-N 2.91Å; I26-K29 WeakPolarHBondContact O-CB 3.34Å; I26-K29 PolarHBondContact O-N 3.33Å; I26-K29 VanDerWaalsContact O-N 3.11Å; M27-K29 VanDerWaalsContact C-N 3.3Å; M27-K29 PolarHBondContact O-N 3.35Å; K29-G31 VanDerWaalsContact C-N 3.34Å
30	M	71.3	Confident	70.8	Confident	145 Å²	145	88.4 Å²	88.4	71%	0.714	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	11.8	177.2	-62.9	-65.5	-150.2	0	0	113.2	I26 M27 R28	I26-M30 PolarHBondContact O-N 3.39Å; M27-M30 CarbonylContact O-C 3.57Å; M27-M30 WeakPolarHBondContact O-CA 3.28Å; M27-M30 PolarHBondContact O-N 3.28Å; R28-M30 PolarHBondContact O-N 3.08Å
31	G	73.3	Confident	71.9	Confident	59 Å²	59	88.3 Å²	88.3	61%	0.608	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	16	177.1	0	0	0	0	0	115.2	M27 R28 K29 E33	M27-G31 PolarHBondContact O-N 3.01Å; R28-G31 PolarHBondContact O-N 3.14Å; K29-G31 VanDerWaalsContact C-N 3.34Å; G31-E33 PolarHBondContact O-N 3.34Å
32	Y	73.1	Confident	71.8	Confident	26 Å²	26	86 Å²	86	10%	0.102	47%	0.474	C	S	.	.			trans	-67.1	124.2	172.1	175.6	-99.4	0	0	0	111.7	W24 M27 Q36 L38	W24-Y32 HydrophobicContact CE3-CD1 4.08Å; W24-Y32 AromaticContact CE3-CE1 3.68Å; W24-Y32 HydrophobicContact CE3-CE1 3.68Å; W24-Y32 HydrophobicContact CH2-CE1 4.13Å; W24-Y32 AromaticContact CH2-CZ 3.9Å; W24-Y32 WeakPolarHBondContact CH2-OH 3.37Å; W24-Y32 AromaticContact CZ3-CD1 3.86Å; W24-Y32 HydrophobicContact CZ3-CD1 3.86Å; W24-Y32 AromaticContact CZ3-CE1 3.16Å; W24-Y32 HydrophobicContact CZ3-CE1 3.16Å; W24-Y32 HydrophobicContact CZ3-CE2 4.08Å; W24-Y32 AromaticContact CZ3-CZ 3.28Å; W24-Y32 WeakPolarHBondContact CZ3-OH 3.15Å; M27-Y32 VanDerWaalsContact C-CB 3.49Å; M27-Y32 HydrophobicContact CB-CD1 4.46Å; M27-Y32 HydrophobicContact CB-CG 4.2Å; M27-Y32 WeakPolarHBondContact O-CB 3.44Å; M27-Y32 PolarHBondContact O-N 2.75Å; M27-Y32 VanDerWaalsContact O-N 3.11Å; Y32-Q36 WeakPolarHBondContact CE2-O 3.35Å; Y32-L38 HydrophobicContact CD2-CD1 3.76Å; Y32-L38 HydrophobicContact CG-CD1 4.16Å
33	E	74.8	Confident	71.6	Confident	118 Å²	118	87.6 Å²	87.6	55%	0.551	48%	0.475	S	S	*	.			trans	-106.2	138.7	167	-64.7	-172	170.1	0	0	109.8	G31 G35 Q36	G31-E33 PolarHBondContact O-N 3.34Å; E33-G35 PolarHBondContact O-N 3.19Å; E33-Q36 HydrophobicContact CB-CB 4.3Å; E33-Q36 HydrophobicContact CB-CG 4.41Å; E33-Q36 PolarHBondContact O-N 3.15Å; E33-Q36 PolarHBondContact OE2-NE2 3.12Å
34	H	70.5	Confident	71.5	Confident	132 Å²	132	86.5 Å²	86.5	61%	0.611	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	122.8	-179	-175.1	95.7	0	0	0	110.5	D17	D17-H34 IonicContact OD1-CE1 3.43Å; D17-H34 PolarHBondContact OD1-CE1 3.31Å; D17-H34 VanDerWaalsContact OD1-CE1 3.23Å; D17-H34 IonicContact OD1-ND1 3.53Å; D17-H34 PolarHBondContact OD1-ND1 3.18Å; D17-H34 IonicContact OD2-CE1 3.14Å; D17-H34 PolarHBondContact OD2-CE1 3.16Å; D17-H34 VanDerWaalsContact OD2-CE1 3.24Å; D17-H34 IonicContact OD2-CG 3.33Å; D17-H34 IonicContact OD2-ND1 2.71Å; D17-H34 PolarHBondContact OD2-ND1 2.98Å
35	G	69.8	Low	71.3	Confident	47 Å²	47	89.8 Å²	89.8	49%	0.485	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	7.7	-177.2	0	0	0	0	0	115.1	E33 V46	E33-G35 PolarHBondContact O-N 3.19Å; G35-V46 VanDerWaalsContact C-CG1 3.48Å; G35-V46 WeakPolarHBondContact O-CG1 3.36Å
36	Q	72.3	Confident	70.6	Confident	89 Å²	89	88.3 Å²	88.3	42%	0.416	49%	0.492	S	S	.	.	S	Bend	trans	-122.4	149.8	173.7	-65.5	-170.7	24.5	0	0	112	Y32 E33 A42	Y32-Q36 WeakPolarHBondContact CE2-O 3.35Å; E33-Q36 HydrophobicContact CB-CB 4.3Å; E33-Q36 HydrophobicContact CB-CG 4.41Å; E33-Q36 PolarHBondContact O-N 3.15Å; E33-Q36 PolarHBondContact OE2-NE2 3.12Å; Q36-A42 HydrophobicContact CB-CB 4.17Å
37	G	67.2	Low	69.5	Low	7 Å²	7	91 Å²	91	7%	0.072	50%	0.502	C	S	.	.			trans	-69.2	149.2	174.6	0	0	0	0	0	113	G39 A42 G44	G37-G39 PolarHBondContact O-N 2.88Å; G37-A42 WeakPolarHBondContact CA-O 3.38Å; G37-A42 PolarHBondContact N-O 2.96Å; G37-A42 WeakPolarHBondContact O-CA 3.44Å; G37-G44 VanDerWaalsContact CA-C 3.42Å; G37-G44 WeakPolarHBondContact CA-O 3.43Å
38	L	66.5	Low	68.7	Low	84 Å²	84	92.3 Å²	92.3	44%	0.44	52%	0.515	S	S	.	.	S	Bend	trans	-65	130.8	170.8	-122.8	89	0	0	0	111.3	Y32 G44	Y32-L38 HydrophobicContact CD2-CD1 3.76Å; Y32-L38 HydrophobicContact CG-CD1 4.16Å; L38-G44 WeakPolarHBondContact O-CA 3.48Å; L38-G44 PolarHBondContact O-N 3.3Å
39	G	65.4	Low	67.5	Low	51 Å²	51	92.8 Å²	92.8	53%	0.526	53%	0.531	S	S	.	.	S	Bend	trans	135.3	162.4	174.4	0	0	0	0	0	113.6	G37 N41 A42	G37-G39 PolarHBondContact O-N 2.88Å; G39-N41 PolarHBondContact O-N 3.35Å; G39-N41 VanDerWaalsContact O-N 3.14Å; G39-A42 PolarHBondContact O-N 2.72Å
40	V	69.2	Low	65.9	Low	144 Å²	144	88 Å²	88	87%	0.873	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.5	-172.1	177.8	0	0	0	0	113.7
41	N	75.1	Confident	64.4	Low	122 Å²	122	88.8 Å²	88.8	65%	0.652	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	34.3	172.9	-23.2	-72.4	0	0	0	113.1	G39 H43	G39-N41 PolarHBondContact O-N 3.35Å; G39-N41 VanDerWaalsContact O-N 3.14Å; N41-H43 VanDerWaalsContact C-N 3.27Å; N41-H43 VanDerWaalsContact CA-NE2 3.33Å; N41-H43 WeakPolarHBondContact CA-NE2 3.14Å; N41-H43 VanDerWaalsContact CB-CD2 3.45Å; N41-H43 WeakPolarHBondContact CB-CD2 3.47Å; N41-H43 WeakPolarHBondContact CB-NE2 3.49Å; N41-H43 VanDerWaalsContact CG-NE2 3.28Å; N41-H43 PolarHBondContact N-NE2 3.29Å; N41-H43 PolarHBondContact ND2-NE2 3.08Å; N41-H43 PolarHBondContact O-CD2 3.27Å; N41-H43 PolarHBondContact O-N 3.21Å; N41-H43 VanDerWaalsContact O-N 3.15Å
42	A	70.2	Confident	63.1	Low	37 Å²	37	89.7 Å²	89.7	31%	0.306	53%	0.529	S	S	.	.	S	Bend	trans	60.3	23.3	172	0	0	0	0	0	116.8	Q36 G37 G39 G44	Q36-A42 HydrophobicContact CB-CB 4.17Å; G37-A42 WeakPolarHBondContact CA-O 3.38Å; G37-A42 PolarHBondContact N-O 2.96Å; G37-A42 WeakPolarHBondContact O-CA 3.44Å; G39-A42 PolarHBondContact O-N 2.72Å; A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.1Å
43	H	70.4	Confident	61.5	Low	134 Å²	134	98.5 Å²	98.5	62%	0.62	57%	0.568	S	S	*	*			trans	-82.8	-1.4	-176.9	12.8	96.3	0	0	0	115.2	N41	N41-H43 VanDerWaalsContact C-N 3.27Å; N41-H43 VanDerWaalsContact CA-NE2 3.33Å; N41-H43 WeakPolarHBondContact CA-NE2 3.14Å; N41-H43 VanDerWaalsContact CB-CD2 3.45Å; N41-H43 WeakPolarHBondContact CB-CD2 3.47Å; N41-H43 WeakPolarHBondContact CB-NE2 3.49Å; N41-H43 VanDerWaalsContact CG-NE2 3.28Å; N41-H43 PolarHBondContact N-NE2 3.29Å; N41-H43 PolarHBondContact ND2-NE2 3.08Å; N41-H43 PolarHBondContact O-CD2 3.27Å; N41-H43 PolarHBondContact O-N 3.21Å; N41-H43 VanDerWaalsContact O-N 3.15Å
44	G	65.8	Low	60.1	Low	24 Å²	24	96 Å²	96	25%	0.247	56%	0.557	C	S	.	*	S	Bend	trans	-66.2	168.6	173.3	0	0	0	0	0	112.7	G37 L38 A42 V46	G37-G44 VanDerWaalsContact CA-C 3.42Å; G37-G44 WeakPolarHBondContact CA-O 3.43Å; L38-G44 WeakPolarHBondContact O-CA 3.48Å; L38-G44 PolarHBondContact O-N 3.3Å; A42-G44 VanDerWaalsContact C-N 3.34Å; A42-G44 PolarHBondContact O-N 3.1Å; G44-V46 PolarHBondContact O-N 3.44Å
45	V	65.5	Low	58.8	Low	106 Å²	106	97.7 Å²	97.7	64%	0.642	56%	0.562	S	S	*	*			trans	-68.5	127.6	175.5	-170.3	0	0	0	0	109.1	E47	V45-E47 WeakPolarHBondContact CG1-O 3.4Å
46	V	60.5	Low	57.9	Low	69 Å²	69	96 Å²	96	42%	0.418	54%	0.544	S	S	.	.	S	Bend	trans	-74	-31.3	-174.2	178.2	0	0	0	0	112.3	G35 G44	G35-V46 VanDerWaalsContact C-CG1 3.48Å; G35-V46 WeakPolarHBondContact O-CG1 3.36Å; G44-V46 PolarHBondContact O-N 3.44Å
47	E	53.6	Low	57.3	Low	153 Å²	153	93.7 Å²	93.7	72%	0.715	53%	0.532	S	S	*	.	S	Bend	trans	-106.6	136.8	175.4	-64.3	-165.9	168.2	0	0	109.9	V45 V49	V45-E47 WeakPolarHBondContact CG1-O 3.4Å; E47-V49 PolarHBondContact O-N 3.31Å
48	P	52.9	Low	56.1	Low	83 Å²	83	94.9 Å²	94.9	54%	0.539	54%	0.54	S	S	.	.			trans	-53	133	171.3	-20	29.4	0	0	0	109.4	W24 A50	W24-P48 HydrophobicContact CH2-CG 3.92Å; W24-P48 HydrophobicContact CZ2-CG 4.06Å; P48-A50 PolarHBondContact O-N 3.19Å
49	V	52.3	Low	55	Low	130 Å²	130	92.3 Å²	92.3	79%	0.788	53%	0.533	S	S	*	.			trans	-53.4	111.8	171.6	178.7	0	0	0	0	107.1	E47 L51	E47-V49 PolarHBondContact O-N 3.31Å; V49-L51 PolarHBondContact O-N 2.86Å
50	A	43.4	Very low	53.7	Low	88 Å²	88	96.8 Å²	96.8	73%	0.727	54%	0.544	S	S	*	.			trans	-58.2	119.2	-176.1	0	0	0	0	0	108.4	P48 S52	P48-A50 PolarHBondContact O-N 3.19Å; A50-S52 PolarHBondContact O-N 3.22Å; A50-S52 VanDerWaalsContact O-N 3.12Å
51	L	40.7	Very low	52.4	Low	162 Å²	162	93.1 Å²	93.1	85%	0.848	54%	0.536	S	S	*	.			trans	-53	123.2	168.5	-79.4	162.2	0	0	0	107.2	V49 K53	V49-L51 PolarHBondContact O-N 2.86Å; L51-K53 PolarHBondContact O-N 3.32Å
52	S	45.9	Very low	50.7	Low	77 Å²	77	90.2 Å²	90.2	54%	0.538	53%	0.525	S	S	.	.			trans	-49.5	115.6	176	175	0	0	0	0	108.8	A50 Q54	A50-S52 PolarHBondContact O-N 3.22Å; A50-S52 VanDerWaalsContact O-N 3.12Å; S52-Q54 PolarHBondContact O-N 3.01Å; S52-Q54 PolarHBondContact OG-N 3.09Å
53	K	40.4	Very low	49	Very low	211 Å²	211	94.3 Å²	94.3	92%	0.917	55%	0.546	S	S	*	.			trans	-75.6	-6.8	175.2	-66.7	-174.7	-179.5	178.5	0	111.7	L51 K55	L51-K53 PolarHBondContact O-N 3.32Å; K53-K55 PolarHBondContact O-N 3.17Å
54	Q	43.9	Very low	47.6	Very low	66 Å²	66	92.1 Å²	92.1	31%	0.308	53%	0.534	S	S	.	.			trans	-84.6	111.4	-175	-162	136	-36.1	0	0	110.1	S52 S58 G59 S62	S52-Q54 PolarHBondContact O-N 3.01Å; S52-Q54 PolarHBondContact OG-N 3.09Å; Q54-S58 PolarHBondContact NE2-O 3.13Å; Q54-G59 PolarHBondContact NE2-O 3.14Å; Q54-G59 VanDerWaalsContact NE2-O 3.17Å; Q54-S62 PolarHBondContact NE2-O 3.28Å; Q54-S62 PolarHBondContact OE1-O 3.38Å
55	K	44.9	Very low	45.9	Very low	167 Å²	167	97.3 Å²	97.3	73%	0.726	56%	0.561	S	S	*	*			trans	-100.7	113.7	172.5	-69.7	-179.8	-178.9	170.8	0	109.6	K53	K53-K55 PolarHBondContact O-N 3.17Å
56	G	50.5	Low	44.4	Very low	11 Å²	11	98 Å²	98	11%	0.113	57%	0.567	C	S	.	*	S	Bend	trans	142.6	179.5	179.5	0	0	0	0	0	112.1	S369	G56-S369 CarbonylContact O-C 3.57Å
57	R	58.3	Low	42.8	Very low	41 Å²	41	99.8 Å²	99.8	16%	0.155	58%	0.582	C	S	.	*	S	Bend	trans	-88.6	-0.4	178.7	-59.3	159.5	-161.8	-138.6	6.3	114.1	G59 K162 D166 Y371	R57-G59 PolarHBondContact O-N 3.31Å; R57-K162 WeakPolarHBondContact CD-O 3.39Å; R57-K162 PolarHBondContact NE-O 3.37Å; R57-K162 VanDerWaalsContact NE-O 3.11Å; R57-K162 PolarHBondContact NH1-O 3.41Å; R57-D166 VanDerWaalsContact CA-OD2 3.31Å; R57-D166 WeakPolarHBondContact CA-OD2 3.39Å; R57-D166 WeakPolarHBondContact CB-OD2 3.34Å; R57-D166 VanDerWaalsContact CD-OD1 3.22Å; R57-D166 WeakPolarHBondContact CD-OD1 3.41Å; R57-D166 VanDerWaalsContact CD-OD2 3.29Å; R57-D166 WeakPolarHBondContact CD-OD2 3.35Å; R57-D166 VanDerWaalsContact CG-CG 3.5Å; R57-D166 WeakPolarHBondContact CG-OD1 3.43Å; R57-D166 WeakPolarHBondContact CG-OD2 3.4Å; R57-D166 PolarHBondContact N-OD2 3.38Å; R57-D166 IonicContact NE-OD1 3.56Å; R57-D166 PolarHBondContact NE-OD1 3.33Å; R57-D166 IonicContact NE-OD2 3.17Å; R57-Y371 HydrophobicContact CG-CD2 3.92Å
58	S	43.8	Very low	41.8	Very low	33 Å²	33	98 Å²	98	23%	0.231	59%	0.586	C	S	.	*	S	Bend	trans	-72.4	126.2	176.9	44.7	0	0	0	0	111.1	Q54	Q54-S58 PolarHBondContact NE2-O 3.13Å
59	G	41.8	Very low	40.8	Very low	30 Å²	30	98.9 Å²	98.9	31%	0.309	59%	0.594	S	S	.	*			trans	-53	161.8	-175.1	0	0	0	0	0	116	Q54 R57 G61 S62	Q54-G59 PolarHBondContact NE2-O 3.14Å; Q54-G59 VanDerWaalsContact NE2-O 3.17Å; R57-G59 PolarHBondContact O-N 3.31Å; G59-G61 PolarHBondContact O-N 2.65Å; G59-S62 PolarHBondContact O-N 3.05Å
60	L	37.8	Very low	40	Very low	145 Å²	145	99.8 Å²	99.8	76%	0.759	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	113.5	178.4	-87.3	147.7	0	0	0	109.8
61	G	42	Very low	39.6	Very low	67 Å²	67	104.5 Å²	104.5	69%	0.691	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.8	-14.4	-178.6	0	0	0	0	0	114.6	G59 V63	G59-G61 PolarHBondContact O-N 2.65Å; G61-V63 PolarHBondContact O-N 2.91Å
62	S	40.6	Very low	39.7	Very low	61 Å²	61	102.5 Å²	102.5	43%	0.427	58%	0.583	S	S	.	*			trans	-75.2	91.4	171	-170.1	0	0	0	0	109.9	Q54 G59 K64	Q54-S62 PolarHBondContact NE2-O 3.28Å; Q54-S62 PolarHBondContact OE1-O 3.38Å; G59-S62 PolarHBondContact O-N 3.05Å; S62-K64 PolarHBondContact O-N 3.03Å
63	V	34.7	Very low	39.4	Very low	122 Å²	122	104.4 Å²	104.4	74%	0.739	59%	0.586	S	S	*	*			trans	-72.1	91.2	174.8	-177.4	0	0	0	0	108.4	G61 T65	G61-V63 PolarHBondContact O-N 2.91Å; V63-T65 PolarHBondContact O-N 3.31Å
64	K	40.3	Very low	39.8	Very low	88 Å²	88	103.8 Å²	103.8	38%	0.383	59%	0.586	S	S	.	*			trans	-64.1	118	157.3	-78.4	-177.3	176.6	174.9	0	106.5	S62 T66 Y167	S62-K64 PolarHBondContact O-N 3.03Å; K64-T66 HydrophobicContact CB-CG2 4.46Å; K64-T66 PolarHBondContact O-N 3.5Å; K64-Y167 PolarHBondContact NZ-OH 3.38Å
65	T	31.1	Very low	39.9	Very low	133 Å²	133	104.5 Å²	104.5	82%	0.816	60%	0.599	S	S	*	*			trans	-61.7	78.3	172.7	34.3	0	0	0	0	109.9	V63 S67	V63-T65 PolarHBondContact O-N 3.31Å; T65-S67 PolarHBondContact O-N 3.02Å; T65-S67 VanDerWaalsContact O-N 3.1Å
66	T	32.8	Very low	40.1	Very low	122 Å²	122	99.6 Å²	99.6	75%	0.748	58%	0.578	S	S	*	*			trans	-83.3	84.2	174.3	50.1	0	0	0	0	109.3	K64	K64-T66 HydrophobicContact CB-CG2 4.46Å; K64-T66 PolarHBondContact O-N 3.5Å
67	S	28.1	Very low	40.1	Very low	106 Å²	106	105.1 Å²	105.1	74%	0.741	62%	0.615	S	S	*	*			trans	-75.2	125.8	142.8	52.6	0	0	0	0	107.9	T65	T65-S67 PolarHBondContact O-N 3.02Å; T65-S67 VanDerWaalsContact O-N 3.1Å
68	S	31.4	Very low	40.1	Very low	114 Å²	114	104.8 Å²	104.8	80%	0.797	62%	0.624	S	S	*	*	S	Bend	trans	96.5	120.3	172.6	77	0	0	0	0	118.2
69	S	31.9	Very low	41.2	Very low	103 Å²	103	112.3 Å²	112.3	72%	0.72	66%	0.656	S	S	*	*			trans	-56.1	133.5	173.9	46.5	0	0	0	0	114.6	K71	S69-K71 VanDerWaalsContact C-N 3.31Å; S69-K71 PolarHBondContact O-N 3.42Å
70	D	35	Very low	43	Very low	148 Å²	148	113 Å²	113	79%	0.791	65%	0.652	S	S	*	*	S	Bend	trans	33.8	43	148.7	-74.5	-34.6	0	0	0	119.1
71	K	35.5	Very low	45.4	Very low	187 Å²	187	108.8 Å²	108.8	81%	0.813	63%	0.626	S	S	*	*			trans	-121.9	81.8	156.5	-75	-171.7	178.3	-177.9	0	109.2	S69 I73	S69-K71 VanDerWaalsContact C-N 3.31Å; S69-K71 PolarHBondContact O-N 3.42Å; K71-I73 PolarHBondContact O-N 2.98Å
72	K	42.9	Very low	47.5	Very low	120 Å²	120	112 Å²	112	52%	0.522	62%	0.623	S	S	.	*			trans	-62.5	116	161.6	-81	-163.3	176.4	-159.8	0	107	D166	K72-D166 PolarHBondContact NZ-O 3.47Å
73	I	40.8	Very low	50	Low	117 Å²	117	109.5 Å²	109.5	60%	0.6	61%	0.606	S	S	*	*			trans	-64.9	128.1	-169.8	-54.1	173.1	0	0	0	109	K71 S75	K71-I73 PolarHBondContact O-N 2.98Å; I73-S75 WeakPolarHBondContact CG2-O 3.22Å; I73-S75 PolarHBondContact O-N 2.93Å
74	E	47.3	Very low	52.7	Low	198 Å²	198	108.9 Å²	108.9	93%	0.925	61%	0.607	S	S	*	*	S	Bend	trans	-69.9	-13.8	175.8	-77.6	-173.7	153.2	0	0	113.1
75	S	47.3	Very low	55.3	Low	82 Å²	82	107.2 Å²	107.2	57%	0.573	60%	0.602	S	S	*	*	S	Bend	trans	-124.1	90.2	173.6	51.8	0	0	0	0	110.6	I73 S77	I73-S75 WeakPolarHBondContact CG2-O 3.22Å; I73-S75 PolarHBondContact O-N 2.93Å; S75-S77 PolarHBondContact O-N 3.45Å
76	F	49	Very low	58.2	Low	64 Å²	64	105.1 Å²	105.1	28%	0.281	59%	0.591	S	S	.	*			trans	-64	108.8	167.1	-169	-100.8	0	0	0	108.1	G78 Y167	F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 WeakPolarHBondContact CD1-O 3.43Å; F76-Y167 HydrophobicContact CD2-CD1 4.34Å; F76-Y167 HydrophobicContact CD2-CG 4.2Å; F76-Y167 AromaticContact CE2-CD1 3.49Å; F76-Y167 HydrophobicContact CE2-CD1 3.49Å; F76-Y167 VanDerWaalsContact CE2-CD1 3.49Å; F76-Y167 HydrophobicContact CE2-CD2 4.4Å; F76-Y167 HydrophobicContact CE2-CE1 4.28Å; F76-Y167 AromaticContact CE2-CG 3.55Å; F76-Y167 HydrophobicContact CE2-CG 3.55Å; F76-Y167 HydrophobicContact CZ-CD1 4.07Å; F76-Y167 HydrophobicContact CZ-CD2 4.34Å; F76-Y167 AromaticContact CZ-CG 3.93Å; F76-Y167 HydrophobicContact CZ-CG 3.93Å
77	S	49.5	Very low	61.1	Low	127 Å²	127	105.6 Å²	105.6	89%	0.888	59%	0.589	S	S	*	*			trans	-87.9	7.5	-177.9	65.9	0	0	0	0	113.7	S75	S75-S77 PolarHBondContact O-N 3.45Å
78	G	58.6	Low	64.3	Low	34 Å²	34	100.7 Å²	100.7	35%	0.351	55%	0.554	S	S	.	*	S	Bend	trans	-86.3	148.6	173.3	0	0	0	0	0	111	F76 L80	F76-G78 VanDerWaalsContact C-N 3.3Å; F76-G78 WeakPolarHBondContact CD1-O 3.43Å; G78-L80 PolarHBondContact O-N 3.33Å
79	E	67.6	Low	67.4	Low	191 Å²	191	96.4 Å²	96.4	89%	0.893	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-54.7	130.4	172.3	-78.9	179.8	154.6	0	0	110.1
80	L	78.9	Confident	70.4	Confident	43 Å²	43	93 Å²	93	23%	0.225	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-58.3	140.9	168.8	-107.4	75.4	0	0	0	108.6	G78 Q82 L595 Q599	G78-L80 PolarHBondContact O-N 3.33Å; L80-Q82 PolarHBondContact O-N 2.93Å; L80-L595 HydrophobicContact CD2-CB 3.46Å; L80-L595 VanDerWaalsContact CD2-CB 3.46Å; L80-L595 HydrophobicContact CG-CB 4.29Å; L80-Q599 HydrophobicContact CD1-CG 3.43Å; L80-Q599 VanDerWaalsContact CD1-CG 3.43Å; L80-Q599 HydrophobicContact CD2-CG 4.4Å
81	Y	87.3	Confident	73.1	Confident	58 Å²	58	91.5 Å²	91.5	23%	0.227	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-64.9	126	169.7	178.5	-99.1	0	0	0	107.7	E157 N160 Y161 Q164	Y81-E157 WeakPolarHBondContact CE1-OE2 3.33Å; Y81-E157 VanDerWaalsContact CZ-OE2 3.26Å; Y81-E157 PolarHBondContact OH-OE1 3.14Å; Y81-E157 PolarHBondContact OH-OE2 3.38Å; Y81-N160 HydrophobicContact CD1-CB 4.09Å; Y81-N160 HydrophobicContact CD2-CB 4.34Å; Y81-N160 HydrophobicContact CE1-CB 3.63Å; Y81-N160 HydrophobicContact CE2-CB 3.89Å; Y81-N160 HydrophobicContact CG-CB 4.42Å; Y81-N160 PolarHBondContact OH-ND2 3.34Å; Y81-N160 VanDerWaalsContact OH-ND2 3.16Å; Y81-Y161 AromaticContact CD1-CD1 3.78Å; Y81-Y161 HydrophobicContact CD1-CD1 3.78Å; Y81-Y161 HydrophobicContact CD1-CD2 4.09Å; Y81-Y161 AromaticContact CD1-CE1 3.68Å; Y81-Y161 HydrophobicContact CD1-CE1 3.68Å; Y81-Y161 AromaticContact CD1-CE2 3.99Å; Y81-Y161 HydrophobicContact CD1-CE2 3.99Å; Y81-Y161 AromaticContact CD1-CG 3.98Å; Y81-Y161 HydrophobicContact CD1-CG 3.98Å; Y81-Y161 AromaticContact CD1-CZ 3.78Å; Y81-Y161 HydrophobicContact CE1-CD1 4.41Å; Y81-Y161 AromaticContact CE1-CD2 3.88Å; Y81-Y161 HydrophobicContact CE1-CD2 3.88Å; Y81-Y161 HydrophobicContact CE1-CE1 4.29Å; Y81-Y161 AromaticContact CE1-CE2 3.73Å; Y81-Y161 HydrophobicContact CE1-CE2 3.73Å; Y81-Y161 HydrophobicContact CE1-CG 4.21Å; Y81-Y161 AromaticContact CE1-CZ 3.94Å; Y81-Y161 VanDerWaalsContact O-CE1 3.31Å; Y81-Y161 WeakPolarHBondContact O-CE1 3.48Å; Y81-Q164 HydrophobicContact CG-CG 4.48Å
82	Q	87.4	Confident	75.7	Confident	133 Å²	133	90.1 Å²	90.1	62%	0.621	48%	0.479	S	S	*	.			trans	-126.7	127.6	169.4	-68.2	-170.7	-12.2	0	0	106.7	L80	L80-Q82 PolarHBondContact O-N 2.93Å
83	S	92.2	Very high	77.8	Confident	9 Å²	9	86.1 Å²	86.1	6%	0.063	47%	0.471	C	S	.	.			trans	-57.2	145.3	171.7	-177.7	0	0	0	0	109.8	N85 E157 Y161	S83-N85 PolarHBondContact O-N 2.89Å; S83-N85 PolarHBondContact OG-N 2.94Å; S83-E157 WeakPolarHBondContact CB-OE1 3.33Å; S83-E157 VanDerWaalsContact CB-OE2 3.26Å; S83-E157 WeakPolarHBondContact CB-OE2 3.36Å; S83-E157 PolarHBondContact OG-OE1 3.47Å; S83-E157 PolarHBondContact OG-OE2 3.49Å; S83-Y161 PolarHBondContact N-OH 3.11Å
84	S	92.3	Very high	80.1	Confident	109 Å²	109	82.3 Å²	82.3	76%	0.762	46%	0.455	S	S	*	.	S	Bend	trans	-66.6	-18.4	168.6	63.5	0	0	0	0	112.4	P86	S84-P86 WeakPolarHBondContact O-CD 3.31Å
85	N	94	Very high	81.9	Confident	54 Å²	54	74.2 Å²	74.2	29%	0.289	42%	0.418	S	S	.	.	S	Bend	trans	-89.1	110.5	174.6	-175.5	-10.8	0	0	0	110.1	S83 N87 L88	S83-N85 PolarHBondContact O-N 2.89Å; S83-N85 PolarHBondContact OG-N 2.94Å; N85-N87 PolarHBondContact O-N 2.92Å; N85-N87 VanDerWaalsContact O-N 3.14Å; N85-N87 WeakPolarHBondContact OD1-CB 3.33Å; N85-N87 PolarHBondContact OD1-N 2.93Å; N85-N87 VanDerWaalsContact OD1-N 3.09Å; N85-L88 HydrophobicContact CB-CD1 4.02Å; N85-L88 HydrophobicContact CB-CG 4.03Å; N85-L88 PolarHBondContact O-N 3.02Å
86	P	92.9	Very high	83.7	Confident	89 Å²	89	74 Å²	74	58%	0.578	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.4	-176.9	26	-34.6	0	0	0	113.1	S84 L88 V89	S84-P86 WeakPolarHBondContact O-CD 3.31Å; P86-L88 PolarHBondContact O-N 3.44Å; P86-V89 PolarHBondContact O-N 2.9Å; P86-V89 VanDerWaalsContact O-N 3.17Å
87	N	93.2	Very high	85.2	Confident	132 Å²	132	78 Å²	78	71%	0.706	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-70.4	-12.2	177.6	-61.2	-24.2	0	0	0	113.1	N85 V589	N85-N87 PolarHBondContact O-N 2.92Å; N85-N87 VanDerWaalsContact O-N 3.14Å; N85-N87 WeakPolarHBondContact OD1-CB 3.33Å; N85-N87 PolarHBondContact OD1-N 2.93Å; N85-N87 VanDerWaalsContact OD1-N 3.09Å; N87-V589 WeakPolarHBondContact O-CG2 3.12Å
88	L	95.3	Very high	86.8	Confident	3 Å²	3	79 Å²	79	2%	0.016	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-99.4	-3.5	176.6	-57.2	-176.1	0	0	0	112.5	N85 P86 L154 E157 K585 C588 V589	N85-L88 HydrophobicContact CB-CD1 4.02Å; N85-L88 HydrophobicContact CB-CG 4.03Å; N85-L88 PolarHBondContact O-N 3.02Å; P86-L88 PolarHBondContact O-N 3.44Å; L88-L154 HydrophobicContact CD1-CD2 3.95Å; L88-L154 HydrophobicContact CD2-CD2 4.04Å; L88-E157 HydrophobicContact CD1-CB 4.2Å; L88-E157 HydrophobicContact CD1-CG 3.85Å; L88-K585 HydrophobicContact CD2-CB 4.08Å; L88-K585 HydrophobicContact CD2-CG 3.92Å; L88-C588 HydrophobicContact CB-CB 4.04Å; L88-C588 HydrophobicContact CD2-CB 4.3Å; L88-C588 CarbonylContact O-C 3.52Å; L88-V589 PolarHBondContact O-N 3.2Å
89	V	95.6	Very high	88.4	Confident	23 Å²	23	78.2 Å²	78.2	14%	0.139	41%	0.408	C	S	.	.	S	Bend	trans	-107.6	130.3	-176	-172.5	0	0	0	0	109	P86	P86-V89 PolarHBondContact O-N 2.9Å; P86-V89 VanDerWaalsContact O-N 3.17Å
90	W	95.5	Very high	89.7	Confident	32 Å²	32	71.9 Å²	71.9	12%	0.121	38%	0.383	C	S	.	.			trans	-72.3	135.6	175.2	177.6	83.6	0	0	0	110.8	E92 D95 V589 S592 K593 A596 F597 L603	W90-E92 HydrophobicContact CH2-CB 4.12Å; W90-E92 HydrophobicContact CH2-CG 4.46Å; W90-E92 HydrophobicContact CZ2-CB 4.3Å; W90-D95 PolarHBondContact NE1-OD1 2.88Å; W90-V589 HydrophobicContact CB-CG1 4.03Å; W90-V589 WeakPolarHBondContact CB-O 3.32Å; W90-S592 PolarHBondContact N-OG 3.12Å; W90-S592 VanDerWaalsContact N-OG 3.08Å; W90-K593 HydrophobicContact CB-CB 3.78Å; W90-K593 HydrophobicContact CD2-CB 3.86Å; W90-K593 HydrophobicContact CD2-CD 4.29Å; W90-K593 HydrophobicContact CD2-CG 3.68Å; W90-K593 HydrophobicContact CE3-CB 4.49Å; W90-K593 HydrophobicContact CE3-CG 4.31Å; W90-K593 HydrophobicContact CG-CB 3.49Å; W90-K593 VanDerWaalsContact CG-CB 3.49Å; W90-K593 HydrophobicContact CG-CD 4.21Å; W90-K593 HydrophobicContact CG-CG 3.76Å; W90-K593 HydrophobicContact CZ2-CD 4.48Å; W90-K593 HydrophobicContact CZ2-CG 4.28Å; W90-A596 HydrophobicContact CE3-CB 4.04Å; W90-A596 HydrophobicContact CZ3-CB 4.11Å; W90-F597 AromaticContact CH2-CE2 3.84Å; W90-F597 HydrophobicContact CH2-CE2 3.84Å; W90-F597 HydrophobicContact CZ2-CE2 4.1Å; W90-F597 HydrophobicContact CZ3-CE2 4.3Å; W90-L603 HydrophobicContact CZ3-CD1 4.42Å
91	H	92.4	Very high	90.3	Very high	116 Å²	116	70.5 Å²	70.5	54%	0.537	38%	0.377	S	S	.	.			trans	-131.2	154.6	164.6	58.4	82.4	0	0	0	109.2	G93 C94	H91-G93 PolarHBondContact O-N 3.01Å; H91-C94 WeakPolarHBondContact CE1-CB 3.46Å; H91-C94 WeakPolarHBondContact ND1-CB 3.44Å; H91-C94 WeakPolarHBondContact NE2-CB 3.38Å; H91-C94 VanDerWaalsContact O-CB 3.32Å; H91-C94 WeakPolarHBondContact O-CB 3.43Å; H91-C94 PolarHBondContact O-N 3Å; H91-C94 PolarHBondContact O-SG 3Å
92	E	89.4	Confident	90.6	Very high	159 Å²	159	73.2 Å²	73.2	74%	0.743	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129	-177.5	-161.8	164.9	-169.2	0	0	110.7	W90	W90-E92 HydrophobicContact CH2-CB 4.12Å; W90-E92 HydrophobicContact CH2-CG 4.46Å; W90-E92 HydrophobicContact CZ2-CB 4.3Å
93	G	86.6	Confident	90.9	Very high	35 Å²	35	67.6 Å²	67.6	36%	0.361	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-4.6	-176.8	0	0	0	0	0	116.6	H91 D95 D96	H91-G93 PolarHBondContact O-N 3.01Å; G93-D95 VanDerWaalsContact C-N 3.25Å; G93-D95 PolarHBondContact O-N 3.03Å; G93-D96 WeakPolarHBondContact CA-OD2 3.17Å; G93-D96 PolarHBondContact O-N 2.91Å
94	C	89.2	Confident	91.1	Very high	37 Å²	37	68.2 Å²	68.2	25%	0.25	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-23.8	-176.6	79	0	0	0	0	114.3	H91	H91-C94 WeakPolarHBondContact CE1-CB 3.46Å; H91-C94 WeakPolarHBondContact ND1-CB 3.44Å; H91-C94 WeakPolarHBondContact NE2-CB 3.38Å; H91-C94 VanDerWaalsContact O-CB 3.32Å; H91-C94 WeakPolarHBondContact O-CB 3.43Å; H91-C94 PolarHBondContact O-N 3Å; H91-C94 PolarHBondContact O-SG 3Å
95	D	86.4	Confident	91.3	Very high	28 Å²	28	66.2 Å²	66.2	15%	0.15	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	9.5	-175.7	55.7	-27	0	0	0	113.1	W90 G93 Y98 T99 K593	W90-D95 PolarHBondContact NE1-OD1 2.88Å; G93-D95 VanDerWaalsContact C-N 3.25Å; G93-D95 PolarHBondContact O-N 3.03Å; D95-Y98 PolarHBondContact O-N 2.99Å; D95-T99 WeakPolarHBondContact O-CB 3.32Å; D95-T99 PolarHBondContact O-N 3.42Å; D95-T99 VanDerWaalsContact O-N 3.17Å; D95-T99 PolarHBondContact O-OG1 2.65Å; D95-K593 IonicContact OD1-NZ 2.77Å; D95-K593 IonicContact OD2-NZ 3.44Å; D95-K593 PolarHBondContact OD2-NZ 3Å
96	D	84.1	Confident	91.4	Very high	78 Å²	78	66.5 Å²	66.5	42%	0.417	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-43.7	-170.4	-77.1	-6.7	0	0	0	113.6	G93 Y98 T99 R607	G93-D96 WeakPolarHBondContact CA-OD2 3.17Å; G93-D96 PolarHBondContact O-N 2.91Å; D96-Y98 VanDerWaalsContact C-N 3.27Å; D96-Y98 PolarHBondContact O-N 2.86Å; D96-T99 PolarHBondContact O-N 2.99Å; D96-R607 PolarHBondContact O-NH1 3.44Å; D96-R607 IonicContact OD1-CZ 3.48Å; D96-R607 IonicContact OD1-NH1 3.9Å; D96-R607 PolarHBondContact OD1-NH1 3.41Å; D96-R607 IonicContact OD1-NH2 3.7Å; D96-R607 PolarHBondContact OD1-NH2 3.38Å
97	D	80.5	Confident	91.6	Very high	147 Å²	147	64.1 Å²	64.1	79%	0.786	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-23.8	-178.7	-64.8	-27.9	0	0	0	113.3
98	Y	83.1	Confident	91.8	Very high	150 Å²	150	60.9 Å²	60.9	59%	0.588	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-14.1	-176.1	-55.1	-77.4	0	0	0	113.2	D95 D96 T100	D95-Y98 PolarHBondContact O-N 2.99Å; D96-Y98 VanDerWaalsContact C-N 3.27Å; D96-Y98 PolarHBondContact O-N 2.86Å; Y98-T100 PolarHBondContact O-N 3.12Å
99	T	92	Very high	91.9	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.098	33%	0.326	C	S	.	.			trans	-91.6	86.1	-175.8	-59	0	0	0	0	110.1	D95 D96 P182 L611	D95-T99 WeakPolarHBondContact O-CB 3.32Å; D95-T99 PolarHBondContact O-N 3.42Å; D95-T99 VanDerWaalsContact O-N 3.17Å; D95-T99 PolarHBondContact O-OG1 2.65Å; D96-T99 PolarHBondContact O-N 2.99Å; T99-P182 HydrophobicContact CG2-CB 3.38Å; T99-P182 HydrophobicContact CG2-CG 3.51Å; T99-L611 HydrophobicContact CG2-CD1 3.63Å
100	T	94.7	Very high	91.8	Very high	58 Å²	58	63.1 Å²	63.1	36%	0.356	34%	0.338	S	S	.	.	S	Bend	trans	-137.9	173	179.6	73	0	0	0	0	110.8	Y98 D102 G103 Y183	Y98-T100 PolarHBondContact O-N 3.12Å; T100-D102 PolarHBondContact O-N 3.29Å; T100-D102 VanDerWaalsContact O-N 3.13Å; T100-D102 PolarHBondContact OG1-N 3.05Å; T100-D102 VanDerWaalsContact OG1-N 3.13Å; T100-G103 PolarHBondContact O-N 3.05Å; T100-G103 PolarHBondContact OG1-N 3.2Å; T100-Y183 PolarHBondContact N-OH 3.15Å; T100-Y183 PolarHBondContact O-OH 3.31Å
101	A	93.1	Very high	91.3	Very high	14 Å²	14	63.8 Å²	63.8	12%	0.116	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-12.7	171.8	0	0	0	0	0	113.6	A614 K618	A101-A614 HydrophobicContact CB-CB 3.88Å; A101-K618 HydrophobicContact CB-CD 4.34Å; A101-K618 WeakPolarHBondContact O-CD 3.29Å; A101-K618 PolarHBondContact O-NZ 3.44Å
102	D	93.2	Very high	90.4	Very high	116 Å²	116	65 Å²	65	62%	0.62	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	10.6	175	-62.6	-53	0	0	0	113	T100 D104 K618	T100-D102 PolarHBondContact O-N 3.29Å; T100-D102 VanDerWaalsContact O-N 3.13Å; T100-D102 PolarHBondContact OG1-N 3.05Å; T100-D102 VanDerWaalsContact OG1-N 3.13Å; D102-D104 PolarHBondContact O-N 3.29Å; D102-K618 VanDerWaalsContact OD1-CE 3.27Å; D102-K618 WeakPolarHBondContact OD1-CE 3.23Å; D102-K618 IonicContact OD1-NZ 3.63Å; D102-K618 PolarHBondContact OD1-NZ 3.4Å
103	G	93.3	Very high	89.2	Confident	15 Å²	15	60.8 Å²	60.8	16%	0.155	35%	0.348	C	S	.	.			trans	-73.1	23	-179.4	0	0	0	0	0	115.6	T100 V431	T100-G103 PolarHBondContact O-N 3.05Å; T100-G103 PolarHBondContact OG1-N 3.2Å; G103-V431 VanDerWaalsContact O-CG1 3.32Å; G103-V431 WeakPolarHBondContact O-CG1 3.24Å
104	D	95.5	Very high	87.3	Confident	22 Å²	22	68.7 Å²	68.7	12%	0.118	38%	0.375	C	S	.	.			trans	-75.7	130.5	177.1	-64.1	-65.8	0	0	0	110	D102 N201 I205 P430 V431 K618	D102-D104 PolarHBondContact O-N 3.29Å; D104-N201 PolarHBondContact OD1-ND2 3.37Å; D104-N201 PolarHBondContact OD1-OD1 3.04Å; D104-N201 PolarHBondContact OD2-ND2 3.46Å; D104-N201 VanDerWaalsContact OD2-ND2 3.14Å; D104-I205 HydrophobicContact CB-CD1 3.68Å; D104-I205 HydrophobicContact CB-CG1 4.25Å; D104-P430 VanDerWaalsContact OD1-CA 3.23Å; D104-P430 WeakPolarHBondContact OD1-CA 3.27Å; D104-V431 PolarHBondContact OD1-N 3.08Å; D104-K618 IonicContact OD2-NZ 3.51Å
105	Y	96.4	Very high	85.5	Confident	66 Å²	66	70.1 Å²	70.1	26%	0.259	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.1	174.6	-59.5	-88.9	0	0	0	110.9	W107 I428 K429 H586	Y105-W107 VanDerWaalsContact CB-CZ3 3.49Å; Y105-W107 HydrophobicContact CD1-CH2 4.21Å; Y105-W107 HydrophobicContact CD1-CZ2 4.47Å; Y105-W107 AromaticContact CG-CH2 3.99Å; Y105-W107 HydrophobicContact CG-CH2 3.99Å; Y105-I428 CarbonylContact O-C 3.5Å; Y105-I428 VanDerWaalsContact O-CA 3.28Å; Y105-I428 WeakPolarHBondContact O-CA 3.46Å; Y105-K429 PolarHBondContact N-O 2.86Å; Y105-K429 VanDerWaalsContact N-O 3.17Å; Y105-K429 PolarHBondContact O-N 2.72Å; Y105-H586 AromaticContact CE1-CD2 3.7Å; Y105-H586 AromaticContact CE1-CE1 3.45Å; Y105-H586 VanDerWaalsContact CE1-CE1 3.45Å; Y105-H586 WeakPolarHBondContact CE1-CE1 3.5Å; Y105-H586 AromaticContact CE1-CG 3.97Å; Y105-H586 AromaticContact CE1-ND1 3.82Å; Y105-H586 AromaticContact CE1-NE2 3.38Å; Y105-H586 WeakPolarHBondContact CE1-NE2 3.46Å; Y105-H586 AromaticContact CZ-CD2 3.52Å; Y105-H586 AromaticContact CZ-CG 3.88Å; Y105-H586 AromaticContact CZ-NE2 3.69Å; Y105-H586 PolarHBondContact OH-CD2 3.03Å; Y105-H586 PolarHBondContact OH-NE2 3.41Å
106	T	97.1	Very high	83.9	Confident	60 Å²	60	73.9 Å²	73.9	37%	0.368	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	127.2	-176	-49.5	0	0	0	0	110.5	Y426 I428	T106-Y426 HydrophobicContact CG2-CD1 3.83Å; T106-I428 HydrophobicContact CG2-CD1 4.2Å; T106-I428 HydrophobicContact CG2-CG1 3.8Å
107	W	98.1	Very high	82.3	Confident	39 Å²	39	75 Å²	75	15%	0.148	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146	170.4	-58.2	-98.9	0	0	0	108.5	Y105 Y426 I427 F575 M579 D582 L583	Y105-W107 VanDerWaalsContact CB-CZ3 3.49Å; Y105-W107 HydrophobicContact CD1-CH2 4.21Å; Y105-W107 HydrophobicContact CD1-CZ2 4.47Å; Y105-W107 AromaticContact CG-CH2 3.99Å; Y105-W107 HydrophobicContact CG-CH2 3.99Å; W107-Y426 CarbonylContact O-C 3.45Å; W107-Y426 WeakPolarHBondContact O-CA 3.43Å; W107-Y426 WeakPolarHBondContact O-CB 3.33Å; W107-I427 PolarHBondContact N-O 3.04Å; W107-I427 PolarHBondContact O-N 3.33Å; W107-F575 HydrophobicContact CB-CD2 4.05Å; W107-F575 HydrophobicContact CB-CE2 3.53Å; W107-M579 HydrophobicContact CB-CB 4.31Å; W107-M579 HydrophobicContact CB-CG 4.27Å; W107-M579 HydrophobicContact CD2-CB 4Å; W107-M579 HydrophobicContact CD2-CG 3.61Å; W107-M579 HydrophobicContact CE3-CG 3.76Å; W107-M579 HydrophobicContact CG-CB 3.82Å; W107-M579 HydrophobicContact CG-CG 3.84Å; W107-M579 HydrophobicContact CZ3-CG 4.35Å; W107-D582 HydrophobicContact CZ2-CB 3.85Å; W107-L583 HydrophobicContact CH2-CD1 4.01Å; W107-L583 HydrophobicContact CH2-CD2 3.42Å; W107-L583 VanDerWaalsContact CH2-CD2 3.42Å; W107-L583 HydrophobicContact CH2-CG 3.41Å; W107-L583 VanDerWaalsContact CH2-CG 3.41Å; W107-L583 HydrophobicContact CZ2-CD2 4.49Å; W107-L583 HydrophobicContact CZ2-CG 4.11Å; W107-L583 HydrophobicContact CZ3-CD1 3.88Å; W107-L583 HydrophobicContact CZ3-CD2 3.75Å; W107-L583 HydrophobicContact CZ3-CG 3.81Å
108	S	97.1	Very high	81.2	Confident	64 Å²	64	73.1 Å²	73.1	45%	0.448	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.6	-179.1	60.8	0	0	0	0	111.7	I425 F575	S108-I425 CarbonylContact C-O 3.13Å; S108-I425 WeakPolarHBondContact CA-O 3.42Å; S108-F575 VanDerWaalsContact O-CD2 3.31Å; S108-F575 WeakPolarHBondContact O-CD2 2.99Å
109	W	96.9	Very high	80.8	Confident	17 Å²	17	66.5 Å²	66.5	6%	0.064	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.8	171.4	-179.8	93.2	0	0	0	110.2	M111 Y416 I425 D569 F572 F575	W109-M111 HydrophobicContact CH2-CB 3.77Å; W109-M111 HydrophobicContact CH2-CG 4.22Å; W109-M111 HydrophobicContact CZ2-CB 4.39Å; W109-M111 HydrophobicContact CZ3-CB 4.18Å; W109-Y416 HydrophobicContact CH2-CD2 4.43Å; W109-Y416 HydrophobicContact CH2-CE2 4.17Å; W109-Y416 HydrophobicContact CZ2-CE2 4.09Å; W109-I425 HydrophobicContact CB-CG1 4.16Å; W109-I425 HydrophobicContact CE3-CD1 3.99Å; W109-I425 HydrophobicContact CE3-CG1 3.93Å; W109-I425 PolarHBondContact N-O 3.17Å; W109-I425 WeakPolarHBondContact O-CG1 3.4Å; W109-I425 PolarHBondContact O-N 3.43Å; W109-D569 WeakPolarHBondContact CZ2-OD2 3.49Å; W109-F572 AromaticContact CD2-CD2 3.81Å; W109-F572 HydrophobicContact CD2-CD2 3.81Å; W109-F572 AromaticContact CE2-CD2 3.7Å; W109-F572 HydrophobicContact CE3-CD2 4.36Å; W109-F572 HydrophobicContact CG-CD2 4.05Å; W109-F572 HydrophobicContact CZ2-CB 4.1Å; W109-F572 HydrophobicContact CZ2-CD2 4.12Å; W109-F572 HydrophobicContact CZ2-CG 4.48Å; W109-F572 AromaticContact NE1-CD2 3.86Å; W109-F575 HydrophobicContact CB-CB 4.36Å; W109-F575 HydrophobicContact CB-CD1 3.63Å; W109-F575 HydrophobicContact CB-CD2 3.96Å; W109-F575 HydrophobicContact CB-CE1 3.8Å; W109-F575 HydrophobicContact CB-CE2 4.1Å; W109-F575 HydrophobicContact CB-CG 3.72Å; W109-F575 HydrophobicContact CB-CZ 4.03Å; W109-F575 HydrophobicContact CG-CD1 4.05Å; W109-F575 HydrophobicContact CG-CG 4.27Å
110	S	93.4	Very high	80.6	Confident	57 Å²	57	68.1 Å²	68.1	40%	0.399	39%	0.394	S	S	.	.			trans	-141.6	141.1	173.6	59.9	0	0	0	0	109.2
111	M	84.8	Confident	80.2	Confident	46 Å²	46	69.4 Å²	69.4	23%	0.227	41%	0.405	C	S	.	.			trans	-67.7	133.9	174.5	-162.8	169.8	68.6	0	0	110.7	W109 T119 Y420	W109-M111 HydrophobicContact CH2-CB 3.77Å; W109-M111 HydrophobicContact CH2-CG 4.22Å; W109-M111 HydrophobicContact CZ2-CB 4.39Å; W109-M111 HydrophobicContact CZ3-CB 4.18Å; M111-T119 HydrophobicContact CE-CG2 4.05Å; M111-Y420 HydrophobicContact CE-CD1 4.21Å; M111-Y420 HydrophobicContact CE-CE1 4.42Å; M111-Y420 HydrophobicContact SD-CD1 3.69Å; M111-Y420 HydrophobicContact SD-CD2 4.18Å; M111-Y420 HydrophobicContact SD-CE1 3.51Å; M111-Y420 VanDerWaalsContact SD-CE1 3.51Å; M111-Y420 HydrophobicContact SD-CE2 4.03Å; M111-Y420 HydrophobicContact SD-CG 4.01Å
112	E	74	Confident	80	Confident	142 Å²	142	72.5 Å²	72.5	66%	0.664	42%	0.417	S	S	*	.			trans	-82.7	134.3	178.2	-74.4	-173.4	167.7	0	0	112.3	K571	E112-K571 IonicContact OE1-NZ 2.71Å; E112-K571 PolarHBondContact OE1-NZ 3.37Å; E112-K571 IonicContact OE2-NZ 3.2Å; E112-K571 PolarHBondContact OE2-NZ 3.27Å
113	G	63.3	Low	79.9	Confident	69 Å²	69	67 Å²	67	71%	0.711	39%	0.388	S	S	*	.	S	Bend	trans	120	152.9	170.9	0	0	0	0	0	115.2
114	E	47.7	Very low	79.9	Confident	201 Å²	201	72.2 Å²	72.2	94%	0.939	41%	0.406	S	S	*	.	S	Bend	trans	-101	88.4	178.1	-71.1	-174.1	166.4	0	0	111.5
115	C	49.8	Very low	79.8	Confident	68 Å²	68	74 Å²	74	46%	0.459	42%	0.42	S	S	.	.			trans	-179.8	132.6	147.6	-127.2	0	0	0	0	113.8	T117 T119	C115-T117 VanDerWaalsContact C-N 3.26Å; C115-T117 PolarHBondContact O-N 2.91Å; C115-T117 PolarHBondContact SG-OG1 2.93Å; C115-T117 VanDerWaalsContact SG-OG1 3.39Å; C115-T119 PolarHBondContact O-OG1 3.41Å; C115-T119 VanDerWaalsContact O-OG1 3.06Å
116	P	54.1	Low	79.7	Confident	106 Å²	106	70.9 Å²	70.9	69%	0.688	41%	0.408	S	S	*	.	H	α-helix	trans	-70.5	-14.7	170.6	19.8	-21.6	0	0	0	114.7	T119	P116-T119 WeakPolarHBondContact O-CB 3.47Å
117	T	50	Low	79.6	Confident	103 Å²	103	69.4 Å²	69.4	63%	0.632	40%	0.398	S	S	*	.	H	α-helix	trans	-75.5	-37.8	-175.4	47.7	0	0	0	0	113.5	C115 T119	C115-T117 VanDerWaalsContact C-N 3.26Å; C115-T117 PolarHBondContact O-N 2.91Å; C115-T117 PolarHBondContact SG-OG1 2.93Å; C115-T117 VanDerWaalsContact SG-OG1 3.39Å; T117-T119 VanDerWaalsContact C-N 3.31Å
118	N	57.1	Low	79.5	Confident	106 Å²	106	67.6 Å²	67.6	57%	0.567	39%	0.391	S	S	*	.	H	α-helix	trans	-68.8	-35.3	174.9	-73.8	-4.4	0	0	0	111.3	L120 S121 E122	N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 3.3Å; N118-S121 PolarHBondContact O-N 2.98Å; N118-S121 VanDerWaalsContact O-N 3.15Å; N118-E122 WeakPolarHBondContact O-CG 3.49Å; N118-E122 PolarHBondContact O-N 2.91Å; N118-E122 VanDerWaalsContact O-N 3.12Å
119	T	75.9	Confident	79.5	Confident	12 Å²	12	66.5 Å²	66.5	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-38.4	-179.1	-44	0	0	0	0	113.2	M111 C115 P116 T117 L123 Y420	M111-T119 HydrophobicContact CE-CG2 4.05Å; C115-T119 PolarHBondContact O-OG1 3.41Å; C115-T119 VanDerWaalsContact O-OG1 3.06Å; P116-T119 WeakPolarHBondContact O-CB 3.47Å; T117-T119 VanDerWaalsContact C-N 3.31Å; T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 VanDerWaalsContact O-CB 3.28Å; T119-L123 WeakPolarHBondContact O-CB 3.26Å; T119-L123 WeakPolarHBondContact O-CG 3.29Å; T119-L123 PolarHBondContact O-N 2.59Å; T119-Y420 HydrophobicContact CG2-CD1 3.62Å; T119-Y420 HydrophobicContact CG2-CE1 4.44Å; T119-Y420 HydrophobicContact CG2-CG 4.48Å
120	L	86.4	Confident	79.4	Confident	50 Å²	50	65.9 Å²	65.9	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-69.3	-40.3	-178.7	178.9	60.8	0	0	0	112.5	N118 K124 S524 L527	N118-L120 VanDerWaalsContact C-N 3.28Å; N118-L120 PolarHBondContact O-N 3.3Å; L120-K124 WeakPolarHBondContact O-CG 3.27Å; L120-K124 PolarHBondContact O-N 3.34Å; L120-K124 VanDerWaalsContact O-N 3.12Å; L120-S524 WeakPolarHBondContact CA-OG 3.2Å; L120-L527 HydrophobicContact CD1-CB 4.26Å; L120-L527 HydrophobicContact CD1-CD2 3.81Å
121	S	87.9	Confident	79.5	Confident	84 Å²	84	67.9 Å²	67.9	59%	0.587	39%	0.388	S	S	*	.	H	α-helix	trans	-70	-42.3	179	-168.5	0	0	0	0	110.8	N118 K124 S125	N118-S121 PolarHBondContact O-N 2.98Å; N118-S121 VanDerWaalsContact O-N 3.15Å; S121-K124 PolarHBondContact O-N 3.29Å; S121-S125 PolarHBondContact O-N 3.4Å; S121-S125 VanDerWaalsContact O-N 3.1Å; S121-S125 PolarHBondContact O-OG 2.59Å
122	E	88.3	Confident	79.9	Confident	80 Å²	80	69.5 Å²	69.5	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-61	-47.7	176.1	-71.6	165.1	-178.9	0	0	111.1	N118 K124 S125 L126 Y420	N118-E122 WeakPolarHBondContact O-CG 3.49Å; N118-E122 PolarHBondContact O-N 2.91Å; N118-E122 VanDerWaalsContact O-N 3.12Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 2.94Å; E122-S125 WeakPolarHBondContact CA-OG 3.37Å; E122-S125 CarbonylContact O-C 3.53Å; E122-S125 PolarHBondContact O-N 2.93Å; E122-S125 VanDerWaalsContact O-N 3.08Å; E122-S125 PolarHBondContact O-OG 2.89Å; E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 PolarHBondContact O-N 3.48Å; E122-Y420 HydrophobicContact CB-CE1 4.24Å
123	L	91.2	Very high	80.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-59	-40.4	175.4	-84.9	166.1	0	0	0	112.6	T119 S125 L126 I127 Y420 L421 S524 L527 V528	T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 VanDerWaalsContact O-CB 3.28Å; T119-L123 WeakPolarHBondContact O-CB 3.26Å; T119-L123 WeakPolarHBondContact O-CG 3.29Å; T119-L123 PolarHBondContact O-N 2.59Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 3.36Å; L123-L126 HydrophobicContact CD2-CD2 4.21Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-L126 VanDerWaalsContact O-N 3.15Å; L123-I127 WeakPolarHBondContact O-CG1 3.16Å; L123-I127 PolarHBondContact O-N 2.99Å; L123-Y420 HydrophobicContact CD1-CD1 4.11Å; L123-Y420 HydrophobicContact CD1-CG 4.45Å; L123-Y420 HydrophobicContact CD2-CD1 3.91Å; L123-Y420 HydrophobicContact CD2-CG 3.89Å; L123-Y420 HydrophobicContact CG-CD1 3.62Å; L123-Y420 HydrophobicContact CG-CE1 4.3Å; L123-Y420 HydrophobicContact CG-CG 4.09Å; L123-L421 HydrophobicContact CD1-CD2 4.4Å; L123-S524 VanDerWaalsContact CD1-CB 3.46Å; L123-L527 HydrophobicContact CB-CD2 4.08Å; L123-V528 HydrophobicContact CD1-CG2 4.4Å; L123-V528 HydrophobicContact CD2-CG2 4.25Å
124	K	92.8	Very high	82.4	Confident	124 Å²	124	68.5 Å²	68.5	54%	0.539	38%	0.381	S	S	.	.	H	α-helix	trans	-63.3	-36.1	175.9	-76.7	176.7	-177.7	176	0	112.8	L120 S121 E122 L126 L527	L120-K124 WeakPolarHBondContact O-CG 3.27Å; L120-K124 PolarHBondContact O-N 3.34Å; L120-K124 VanDerWaalsContact O-N 3.12Å; S121-K124 PolarHBondContact O-N 3.29Å; E122-K124 VanDerWaalsContact C-N 3.32Å; E122-K124 PolarHBondContact O-N 2.94Å; K124-L126 VanDerWaalsContact C-N 3.32Å; K124-L527 HydrophobicContact CB-CD2 4.46Å; K124-L527 HydrophobicContact CG-CD1 4.37Å; K124-L527 HydrophobicContact CG-CD2 3.5Å
125	S	92.9	Very high	84.7	Confident	59 Å²	59	58.9 Å²	58.9	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-79.7	-15.5	175	56.4	0	0	0	0	113.7	S121 E122 L123 H562	S121-S125 PolarHBondContact O-N 3.4Å; S121-S125 VanDerWaalsContact O-N 3.1Å; S121-S125 PolarHBondContact O-OG 2.59Å; E122-S125 WeakPolarHBondContact CA-OG 3.37Å; E122-S125 CarbonylContact O-C 3.53Å; E122-S125 PolarHBondContact O-N 2.93Å; E122-S125 VanDerWaalsContact O-N 3.08Å; E122-S125 PolarHBondContact O-OG 2.89Å; L123-S125 VanDerWaalsContact C-N 3.3Å; L123-S125 PolarHBondContact O-N 3.36Å; S125-H562 PolarHBondContact O-CD2 3.31Å; S125-H562 VanDerWaalsContact O-CD2 3.31Å
126	L	95	Very high	86.9	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-85.5	-46.4	179.8	175.2	64.8	0	0	0	111.8	E122 L123 K124 Y416 I417 Y420 C561 H562 M565 I566	E122-L126 WeakPolarHBondContact O-CB 3.28Å; E122-L126 PolarHBondContact O-N 3.48Å; L123-L126 HydrophobicContact CD2-CD2 4.21Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-L126 VanDerWaalsContact O-N 3.15Å; K124-L126 VanDerWaalsContact C-N 3.32Å; L126-Y416 HydrophobicContact CD1-CD1 4.13Å; L126-Y416 HydrophobicContact CD1-CE1 3.83Å; L126-Y416 HydrophobicContact CD2-CD1 3.74Å; L126-Y416 HydrophobicContact CD2-CE1 3.7Å; L126-Y416 HydrophobicContact CG-CE1 4.45Å; L126-I417 HydrophobicContact CD2-CG1 4.43Å; L126-Y420 HydrophobicContact CD2-CE2 4.22Å; L126-C561 HydrophobicContact CD1-CB 3.81Å; L126-C561 HydrophobicContact CG-CB 4.12Å; L126-C561 CarbonylContact O-C 3.31Å; L126-C561 VanDerWaalsContact O-CA 3.26Å; L126-C561 WeakPolarHBondContact O-CA 3.44Å; L126-H562 PolarHBondContact O-N 3.02Å; L126-M565 HydrophobicContact CD1-CB 3.53Å; L126-M565 HydrophobicContact CD1-CG 4.41Å; L126-I566 HydrophobicContact CD1-CG1 4.32Å
127	I	96.1	Very high	88.8	Confident	29 Å²	29	53 Å²	53	15%	0.149	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-76.2	139.8	-171.9	65.1	-177.8	0	0	0	112.5	L123 I417 L527 H531	L123-I127 WeakPolarHBondContact O-CG1 3.16Å; L123-I127 PolarHBondContact O-N 2.99Å; I127-I417 HydrophobicContact CG2-CD1 4.09Å; I127-L527 HydrophobicContact CD1-CD1 3.91Å; I127-L527 HydrophobicContact CD1-CD2 3.99Å; I127-L527 HydrophobicContact CD1-CG 3.82Å; I127-H531 HydrophobicContact CD1-CB 4.19Å
128	I	96	Very high	90.9	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.296	C	S	.	.			trans	-107.8	138.4	177	-50.1	179.3	0	0	0	109.5	E132 E134 A135 H531 R559 I560 C561 H562	I128-E132 HydrophobicContact CG2-CB 3.73Å; I128-E132 HydrophobicContact CG2-CG 4.26Å; I128-E134 HydrophobicContact CD1-CB 4.21Å; I128-E134 VanDerWaalsContact CD1-CD 3.45Å; I128-E134 HydrophobicContact CD1-CG 3.74Å; I128-A135 HydrophobicContact CG2-CB 4.14Å; I128-H531 PolarHBondContact O-CE1 2.89Å; I128-R559 HydrophobicContact CD1-CG 4.48Å; I128-I560 PolarHBondContact N-O 3.32Å; I128-C561 WeakPolarHBondContact CD1-O 2.99Å; I128-C561 VanDerWaalsContact CG1-C 3.45Å; I128-H562 HydrophobicContact CD1-CB 4.46Å; I128-H562 HydrophobicContact CG1-CB 4.45Å
129	S	95.9	Very high	92.6	Very high	41 Å²	41	49.3 Å²	49.3	29%	0.287	28%	0.28	S	S	.	.			trans	-59.5	136.2	169.5	175.6	0	0	0	0	111.6	D131 E132 A135	S129-D131 PolarHBondContact O-N 3.4Å; S129-D131 PolarHBondContact OG-N 3.27Å; S129-E132 VanDerWaalsContact CB-OE1 3.27Å; S129-E132 WeakPolarHBondContact CB-OE1 3.27Å; S129-E132 PolarHBondContact N-OE1 3.31Å; S129-E132 WeakPolarHBondContact O-CB 3.41Å; S129-E132 PolarHBondContact O-N 2.82Å; S129-A135 WeakPolarHBondContact O-CB 3.47Å
130	P	95.7	Very high	93.5	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.1	178.4	30	-37.4	0	0	0	114.3	Q534 V535 K538	P130-Q534 HydrophobicContact CG-CB 4.08Å; P130-V535 HydrophobicContact CB-CG2 4.06Å; P130-V535 HydrophobicContact CG-CG2 4.21Å; P130-K538 HydrophobicContact CB-CB 3.89Å; P130-K538 HydrophobicContact CB-CG 4.05Å; P130-K538 HydrophobicContact CG-CB 4.24Å
131	D	93.9	Very high	93.7	Very high	100 Å²	100	55 Å²	55	54%	0.535	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9.9	173.5	-68.7	-52.8	0	0	0	113.5	S129 K538	S129-D131 PolarHBondContact O-N 3.4Å; S129-D131 PolarHBondContact OG-N 3.27Å; D131-K538 WeakPolarHBondContact OD1-CE 3.33Å; D131-K538 IonicContact OD1-NZ 3.97Å; D131-K538 PolarHBondContact OD1-NZ 3.43Å
132	E	94.7	Very high	93.9	Very high	80 Å²	80	56.6 Å²	56.6	37%	0.374	30%	0.303	S	S	.	.	S	Bend	trans	-73.9	148.5	-180	-77	174.3	-130.7	0	0	112	I128 S129 E134 A135	I128-E132 HydrophobicContact CG2-CB 3.73Å; I128-E132 HydrophobicContact CG2-CG 4.26Å; S129-E132 VanDerWaalsContact CB-OE1 3.27Å; S129-E132 WeakPolarHBondContact CB-OE1 3.27Å; S129-E132 PolarHBondContact N-OE1 3.31Å; S129-E132 WeakPolarHBondContact O-CB 3.41Å; S129-E132 PolarHBondContact O-N 2.82Å; E132-E134 PolarHBondContact O-N 3.3Å; E132-A135 PolarHBondContact O-N 3.16Å
133	P	94.3	Very high	94.1	Very high	117 Å²	117	52.9 Å²	52.9	76%	0.76	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32	178.7	-24.9	34.3	0	0	0	113.8	A135 L136	P133-A135 VanDerWaalsContact C-N 3.31Å; P133-A135 PolarHBondContact O-N 2.73Å; P133-L136 PolarHBondContact O-N 2.93Å
134	E	95.2	Very high	94	Very high	72 Å²	72	55 Å²	55	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.4	178.4	-173.8	179.2	170.5	0	0	112.4	I128 E132 L136 R559 H562	I128-E134 HydrophobicContact CD1-CB 4.21Å; I128-E134 VanDerWaalsContact CD1-CD 3.45Å; I128-E134 HydrophobicContact CD1-CG 3.74Å; E132-E134 PolarHBondContact O-N 3.3Å; E134-L136 VanDerWaalsContact C-N 3.34Å; E134-R559 VanDerWaalsContact O-CD 3.29Å; E134-R559 WeakPolarHBondContact O-CD 3.38Å; E134-R559 VanDerWaalsContact O-CG 3.27Å; E134-R559 WeakPolarHBondContact O-CG 3.3Å; E134-R559 IonicContact OE1-NH1 3.94Å; E134-H562 IonicContact OE1-ND1 2.75Å; E134-H562 PolarHBondContact OE1-ND1 3.15Å; E134-H562 IonicContact OE2-CE1 3.25Å; E134-H562 PolarHBondContact OE2-CE1 3.21Å; E134-H562 IonicContact OE2-ND1 3.34Å; E134-H562 PolarHBondContact OE2-ND1 3.25Å
135	A	96.6	Very high	93.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.4	179.2	0	0	0	0	0	113.3	I128 S129 E132 P133 V557 L558 R559	I128-A135 HydrophobicContact CG2-CB 4.14Å; S129-A135 WeakPolarHBondContact O-CB 3.47Å; E132-A135 PolarHBondContact O-N 3.16Å; P133-A135 VanDerWaalsContact C-N 3.31Å; P133-A135 PolarHBondContact O-N 2.73Å; A135-V557 CarbonylContact O-C 3.56Å; A135-V557 WeakPolarHBondContact O-CA 3.48Å; A135-L558 PolarHBondContact O-N 3.2Å; A135-R559 WeakPolarHBondContact CB-O 3.25Å
136	L	96	Very high	93.8	Very high	40 Å²	40	53.5 Å²	53.5	21%	0.209	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.5	-168.9	-66.1	170.5	0	0	0	112.1	P133 E134 I542 D556 V557	P133-L136 PolarHBondContact O-N 2.93Å; E134-L136 VanDerWaalsContact C-N 3.34Å; L136-I542 HydrophobicContact CD2-CD1 4.32Å; L136-D556 WeakPolarHBondContact CA-O 3.24Å; L136-V557 HydrophobicContact CD2-CG2 4.05Å
137	G	94.2	Very high	93.7	Very high	9 Å²	9	57.5 Å²	57.5	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-177.8	173.9	0	0	0	0	0	112.7	L555 D556	G137-L555 CarbonylContact O-C 3.57Å; G137-L555 WeakPolarHBondContact O-CA 3.32Å; G137-D556 PolarHBondContact N-O 2.85Å; G137-D556 PolarHBondContact O-N 2.89Å
138	P	93.3	Very high	93.6	Very high	97 Å²	97	59.1 Å²	59.1	63%	0.63	32%	0.317	S	S	*	.			trans	-63.9	142	173.1	28.4	-33.6	0	0	0	110.4	I140	P138-I140 PolarHBondContact O-N 2.79Å
139	P	93.2	Very high	93.6	Very high	35 Å²	35	59.2 Å²	59.2	23%	0.227	32%	0.317	C	S	.	.			trans	-52.7	139.3	173.9	-22.7	27	0	0	0	111.9	E141 K554 D556	P139-E141 PolarHBondContact O-N 2.69Å; P139-K554 WeakPolarHBondContact CD-O 3.46Å; P139-K554 HydrophobicContact CG-CB 3.99Å; P139-D556 HydrophobicContact CB-CB 4.32Å; P139-D556 HydrophobicContact CG-CB 4.08Å
140	I	93.8	Very high	93.7	Very high	32 Å²	32	57.5 Å²	57.5	16%	0.164	31%	0.305	C	S	.	.			trans	-71	114.5	174.6	-61.7	170.8	0	0	0	108.5	P138 E142 L143 V376 T408 L558	P138-I140 PolarHBondContact O-N 2.79Å; I140-E142 VanDerWaalsContact CG2-O 3.27Å; I140-E142 WeakPolarHBondContact CG2-O 3.48Å; I140-L143 HydrophobicContact CG2-CD2 4.17Å; I140-V376 HydrophobicContact CB-CG1 4.2Å; I140-V376 HydrophobicContact CB-CG2 3.96Å; I140-V376 HydrophobicContact CD1-CG2 4.47Å; I140-V376 HydrophobicContact CG2-CG2 3.83Å; I140-T408 HydrophobicContact CD1-CG2 3.75Å; I140-L558 HydrophobicContact CD1-CD2 4.26Å; I140-L558 HydrophobicContact CG1-CD2 4.04Å
141	E	91.5	Very high	93.6	Very high	149 Å²	149	59.5 Å²	59.5	70%	0.696	32%	0.319	S	S	*	.			trans	-98.9	-20.1	179.6	-60.9	-165.9	164	0	0	113.2	P139 L373	P139-E141 PolarHBondContact O-N 2.69Å; E141-L373 WeakPolarHBondContact O-CD1 3.5Å
142	E	92.4	Very high	93.7	Very high	118 Å²	118	57.9 Å²	57.9	55%	0.551	31%	0.31	S	S	*	.			trans	-144.6	146.1	179.8	-64.1	-175.1	165.7	0	0	109.4	I140	I140-E142 VanDerWaalsContact CG2-O 3.27Å; I140-E142 WeakPolarHBondContact CG2-O 3.48Å
143	L	92.4	Very high	93.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	-94.2	-6.6	179.5	-73.7	-172.6	0	0	0	113.3	I140 N145 E146 V155 L159 N372 L373 V376 F407 T408	I140-L143 HydrophobicContact CG2-CD2 4.17Å; L143-N145 PolarHBondContact O-N 2.93Å; L143-E146 HydrophobicContact CD2-CG 3.8Å; L143-E146 PolarHBondContact O-N 3.18Å; L143-V155 WeakPolarHBondContact O-CG1 3.28Å; L143-L159 HydrophobicContact CB-CD1 4.11Å; L143-N372 WeakPolarHBondContact CD1-O 3.38Å; L143-L373 HydrophobicContact CG-CD2 4.32Å; L143-V376 HydrophobicContact CD2-CG2 3.93Å; L143-F407 HydrophobicContact CD1-CD2 4.38Å; L143-T408 HydrophobicContact CD2-CG2 4.01Å
144	D	89.1	Confident	93.8	Very high	44 Å²	44	53 Å²	53	24%	0.235	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.8	-169.8	-60.8	-98.7	0	0	0	114.4	L159	D144-L159 HydrophobicContact CB-CD1 4.27Å; D144-L159 WeakPolarHBondContact OD1-CD1 3.35Å
145	N	88.9	Confident	93.8	Very high	111 Å²	111	49.6 Å²	49.6	59%	0.594	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	7.4	179.9	-55.8	-50.6	0	0	0	113.5	L143 D147	L143-N145 PolarHBondContact O-N 2.93Å; N145-D147 PolarHBondContact O-N 3.01Å
146	E	92.7	Very high	93.7	Very high	41 Å²	41	53.2 Å²	53.2	19%	0.192	28%	0.278	C	S	.	.			trans	-82.2	69.9	177.2	-62	-65	144.7	0	0	110.2	L143 F407 T408	L143-E146 HydrophobicContact CD2-CG 3.8Å; L143-E146 PolarHBondContact O-N 3.18Å; E146-F407 HydrophobicContact CB-CB 3.94Å; E146-T408 HydrophobicContact CG-CG2 4.38Å
147	D	91.4	Very high	93.7	Very high	86 Å²	86	51.7 Å²	51.7	46%	0.46	27%	0.27	S	S	.	.			trans	-103.3	0.8	-168.8	69.9	-17.7	0	0	0	115.2	N145 F149 C150 I152	N145-D147 PolarHBondContact O-N 3.01Å; D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.25Å; D147-C150 CarbonylContact C-O 3.6Å; D147-C150 VanDerWaalsContact C-O 3.31Å; D147-C150 VanDerWaalsContact CA-O 3.24Å; D147-C150 WeakPolarHBondContact CA-O 3.38Å; D147-I152 HydrophobicContact CB-CB 3.64Å; D147-I152 HydrophobicContact CB-CD1 4.39Å; D147-I152 HydrophobicContact CB-CG1 4.1Å
148	K	94.2	Very high	93.7	Very high	64 Å²	64	51.2 Å²	51.2	28%	0.278	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-36.5	-178.9	-174.9	171.4	-64.7	-156.7	0	113.2	E409 E567 Q577	K148-E409 HydrophobicContact CD-CG 4.11Å; K148-E409 WeakPolarHBondContact CE-OE1 3.32Å; K148-E409 IonicContact NZ-OE1 2.61Å; K148-E409 PolarHBondContact NZ-OE1 2.94Å; K148-E567 IonicContact NZ-OE1 2.64Å; K148-E567 PolarHBondContact NZ-OE1 3.49Å; K148-Q577 PolarHBondContact O-NE2 3.35Å; K148-Q577 VanDerWaalsContact O-NE2 3.08Å
149	F	96.5	Very high	93.8	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.013	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	9.8	-173.3	-57.3	-67	0	0	0	113.3	D147 F407 E409 I412 M573 I576 N580	D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.25Å; F149-F407 WeakPolarHBondContact CD2-O 3.45Å; F149-E409 HydrophobicContact CE2-CB 4.34Å; F149-E409 HydrophobicContact CE2-CG 3.6Å; F149-E409 HydrophobicContact CZ-CG 4.11Å; F149-I412 HydrophobicContact CB-CG1 4.47Å; F149-I412 HydrophobicContact CD1-CG1 4.29Å; F149-I412 HydrophobicContact CD1-CG2 4.28Å; F149-I412 HydrophobicContact CD2-CB 4.31Å; F149-I412 HydrophobicContact CD2-CG1 3.61Å; F149-I412 HydrophobicContact CE1-CB 4.45Å; F149-I412 HydrophobicContact CE1-CG1 4.44Å; F149-I412 HydrophobicContact CE1-CG2 3.82Å; F149-I412 HydrophobicContact CE2-CB 3.95Å; F149-I412 HydrophobicContact CE2-CG1 3.78Å; F149-I412 HydrophobicContact CE2-CG2 4.2Å; F149-I412 HydrophobicContact CG-CG1 3.87Å; F149-I412 HydrophobicContact CZ-CB 4.03Å; F149-I412 HydrophobicContact CZ-CG1 4.2Å; F149-I412 HydrophobicContact CZ-CG2 3.77Å; F149-M573 HydrophobicContact CD1-CE 4.06Å; F149-M573 HydrophobicContact CD1-SD 4.23Å; F149-M573 HydrophobicContact CE1-CE 3.96Å; F149-M573 HydrophobicContact CE1-SD 3.8Å; F149-I576 HydrophobicContact CB-CG2 3.78Å; F149-I576 HydrophobicContact CD1-CG2 3.85Å; F149-I576 HydrophobicContact CG-CG2 4.03Å; F149-N580 VanDerWaalsContact O-CB 3.23Å; F149-N580 WeakPolarHBondContact O-CB 3.44Å; F149-N580 PolarHBondContact O-ND2 3.39Å
150	C	96.6	Very high	93.8	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.027	24%	0.24	C	C	.	.	S	Bend	trans	-162.8	142.7	177	-170.9	0	0	0	0	109	D147 I152 V155 F407 N580	D147-C150 CarbonylContact C-O 3.6Å; D147-C150 VanDerWaalsContact C-O 3.31Å; D147-C150 VanDerWaalsContact CA-O 3.24Å; D147-C150 WeakPolarHBondContact CA-O 3.38Å; C150-I152 PolarHBondContact O-N 3.09Å; C150-V155 HydrophobicContact CB-CG2 3.76Å; C150-F407 HydrophobicContact CB-CD1 3.73Å; C150-F407 HydrophobicContact CB-CE1 3.66Å; C150-N580 HydrophobicContact CB-CB 4.03Å
151	S	95.1	Very high	93.9	Very high	46 Å²	46	46.3 Å²	46.3	32%	0.322	23%	0.232	S	C	.	.			trans	-50.1	126.2	172.2	172	0	0	0	0	112.2	H153 L154 V155	S151-H153 PolarHBondContact O-N 3.01Å; S151-H153 VanDerWaalsContact O-N 3.12Å; S151-H153 PolarHBondContact OG-N 3.32Å; S151-L154 PolarHBondContact O-N 3.13Å; S151-V155 PolarHBondContact O-N 3.14Å
152	I	95.2	Very high	94	Very high	65 Å²	65	39.6 Å²	39.6	33%	0.333	20%	0.201	S	C	.	.	H	α-helix	trans	-51.8	-37.3	177.3	-165.6	167.3	0	0	0	112.3	D147 C150 V155 Q156	D147-I152 HydrophobicContact CB-CB 3.64Å; D147-I152 HydrophobicContact CB-CD1 4.39Å; D147-I152 HydrophobicContact CB-CG1 4.1Å; C150-I152 PolarHBondContact O-N 3.09Å; I152-V155 PolarHBondContact O-N 3.29Å; I152-Q156 WeakPolarHBondContact O-CB 3.26Å; I152-Q156 VanDerWaalsContact O-CG 3.27Å; I152-Q156 WeakPolarHBondContact O-CG 3.41Å; I152-Q156 PolarHBondContact O-N 3.31Å
153	H	94.9	Very high	93.9	Very high	81 Å²	81	36.2 Å²	36.2	38%	0.375	19%	0.187	S	C	.	.	H	α-helix	trans	-63.3	-43.9	176.9	-179.8	-74.8	0	0	0	111.2	S151 Q156 E157	S151-H153 PolarHBondContact O-N 3.01Å; S151-H153 VanDerWaalsContact O-N 3.12Å; S151-H153 PolarHBondContact OG-N 3.32Å; H153-Q156 PolarHBondContact O-N 2.86Å; H153-E157 VanDerWaalsContact CE1-CG 3.46Å; H153-E157 WeakPolarHBondContact CE1-CG 3.13Å; H153-E157 IonicContact CE1-OE1 3.67Å; H153-E157 PolarHBondContact CE1-OE1 3.12Å; H153-E157 IonicContact NE2-OE1 2.89Å; H153-E157 WeakPolarHBondContact O-CB 3.41Å; H153-E157 WeakPolarHBondContact O-CG 3.49Å; H153-E157 PolarHBondContact O-N 2.92Å
154	L	96.1	Very high	93.9	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-69.5	-38.6	179.7	-72.2	175.3	0	0	0	112.1	L88 S151 E157 V158 E581 A584 K585	L88-L154 HydrophobicContact CD1-CD2 3.95Å; L88-L154 HydrophobicContact CD2-CD2 4.04Å; S151-L154 PolarHBondContact O-N 3.13Å; L154-E157 PolarHBondContact O-N 2.97Å; L154-V158 WeakPolarHBondContact O-CG2 3.28Å; L154-V158 PolarHBondContact O-N 2.79Å; L154-E581 HydrophobicContact CD1-CB 3.81Å; L154-E581 HydrophobicContact CD1-CG 3.83Å; L154-A584 HydrophobicContact CB-CB 4.08Å; L154-K585 HydrophobicContact CD1-CG 4.27Å; L154-K585 HydrophobicContact CD2-CG 4.03Å
155	V	95.3	Very high	93.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-57.5	-51.7	173.7	175.7	0	0	0	0	109.8	L143 C150 S151 I152 E157 V158 L159 F407	L143-V155 WeakPolarHBondContact O-CG1 3.28Å; C150-V155 HydrophobicContact CB-CG2 3.76Å; S151-V155 PolarHBondContact O-N 3.14Å; I152-V155 PolarHBondContact O-N 3.29Å; V155-E157 PolarHBondContact O-N 2.94Å; V155-V158 PolarHBondContact O-N 3.3Å; V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CB 3.47Å; V155-L159 VanDerWaalsContact O-CG 3.22Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 3.3Å; V155-F407 HydrophobicContact CG2-CD1 4.36Å; V155-F407 HydrophobicContact CG2-CE1 4.27Å; V155-F407 HydrophobicContact CG2-CZ 4.35Å
156	Q	94.9	Very high	93.7	Very high	76 Å²	76	32 Å²	32	36%	0.355	16%	0.163	S	C	.	.	H	α-helix	trans	-60.8	-42.5	178.4	-71.4	173.7	-5.8	0	0	112.5	I152 H153 L159 N160	I152-Q156 WeakPolarHBondContact O-CB 3.26Å; I152-Q156 VanDerWaalsContact O-CG 3.27Å; I152-Q156 WeakPolarHBondContact O-CG 3.41Å; I152-Q156 PolarHBondContact O-N 3.31Å; H153-Q156 PolarHBondContact O-N 2.86Å; Q156-L159 PolarHBondContact O-N 3.35Å; Q156-N160 WeakPolarHBondContact O-CB 3.17Å; Q156-N160 PolarHBondContact O-N 2.94Å; Q156-N160 PolarHBondContact O-ND2 3.43Å
157	E	95.8	Very high	93.4	Very high	8 Å²	8	35 Å²	35	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-50.3	176.3	-75.6	-72.8	-178.6	0	0	112	Y81 S83 L88 H153 L154 V155 L159 N160 Y161	Y81-E157 WeakPolarHBondContact CE1-OE2 3.33Å; Y81-E157 VanDerWaalsContact CZ-OE2 3.26Å; Y81-E157 PolarHBondContact OH-OE1 3.14Å; Y81-E157 PolarHBondContact OH-OE2 3.38Å; S83-E157 WeakPolarHBondContact CB-OE1 3.33Å; S83-E157 VanDerWaalsContact CB-OE2 3.26Å; S83-E157 WeakPolarHBondContact CB-OE2 3.36Å; S83-E157 PolarHBondContact OG-OE1 3.47Å; S83-E157 PolarHBondContact OG-OE2 3.49Å; L88-E157 HydrophobicContact CD1-CB 4.2Å; L88-E157 HydrophobicContact CD1-CG 3.85Å; H153-E157 VanDerWaalsContact CE1-CG 3.46Å; H153-E157 WeakPolarHBondContact CE1-CG 3.13Å; H153-E157 IonicContact CE1-OE1 3.67Å; H153-E157 PolarHBondContact CE1-OE1 3.12Å; H153-E157 IonicContact NE2-OE1 2.89Å; H153-E157 WeakPolarHBondContact O-CB 3.41Å; H153-E157 WeakPolarHBondContact O-CG 3.49Å; H153-E157 PolarHBondContact O-N 2.92Å; L154-E157 PolarHBondContact O-N 2.97Å; V155-E157 PolarHBondContact O-N 2.94Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 3.43Å; E157-N160 PolarHBondContact O-N 3.45Å; E157-Y161 VanDerWaalsContact O-CD2 3.28Å; E157-Y161 WeakPolarHBondContact O-CD2 3.42Å; E157-Y161 PolarHBondContact O-N 2.83Å
158	V	95.3	Very high	93.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-44.3	177.6	169.9	0	0	0	0	110.6	L154 V155 K162 A584 C588	L154-V158 WeakPolarHBondContact O-CG2 3.28Å; L154-V158 PolarHBondContact O-N 2.79Å; V155-V158 PolarHBondContact O-N 3.3Å; V158-K162 HydrophobicContact CG1-CD 3.85Å; V158-K162 VanDerWaalsContact CG1-CE 3.42Å; V158-K162 HydrophobicContact CG1-CG 4.37Å; V158-K162 VanDerWaalsContact O-CB 3.23Å; V158-K162 WeakPolarHBondContact O-CB 3.28Å; V158-K162 VanDerWaalsContact O-CG 3.27Å; V158-K162 WeakPolarHBondContact O-CG 3.4Å; V158-K162 PolarHBondContact O-N 3.39Å; V158-A584 HydrophobicContact CG2-CB 3.69Å; V158-A584 WeakPolarHBondContact CG2-O 3.42Å; V158-C588 WeakPolarHBondContact CG2-SG 3.14Å
159	L	94.2	Very high	92.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-40.8	179.1	-67.6	174.7	0	0	0	111.8	L143 D144 V155 Q156 E157 K162 N163 N372	L143-L159 HydrophobicContact CB-CD1 4.11Å; D144-L159 HydrophobicContact CB-CD1 4.27Å; D144-L159 WeakPolarHBondContact OD1-CD1 3.35Å; V155-L159 HydrophobicContact CG1-CD1 3.8Å; V155-L159 HydrophobicContact CG1-CG 4.41Å; V155-L159 WeakPolarHBondContact O-CB 3.47Å; V155-L159 VanDerWaalsContact O-CG 3.22Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 3.3Å; Q156-L159 PolarHBondContact O-N 3.35Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 3.43Å; L159-K162 HydrophobicContact CD2-CD 4.5Å; L159-K162 WeakPolarHBondContact O-CB 3.47Å; L159-K162 PolarHBondContact O-N 3.18Å; L159-N163 WeakPolarHBondContact O-CB 3.41Å; L159-N163 PolarHBondContact O-N 2.79Å; L159-N163 PolarHBondContact O-ND2 3.11Å; L159-N163 PolarHBondContact O-OD1 3.18Å; L159-N372 HydrophobicContact CD2-CB 3.73Å
160	N	94.1	Very high	92.5	Very high	60 Å²	60	38.1 Å²	38.1	32%	0.321	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-47.7	176.5	-74.7	-23.5	0	0	0	111.9	Y81 Q156 E157 K162 N163 Q164	Y81-N160 HydrophobicContact CD1-CB 4.09Å; Y81-N160 HydrophobicContact CD2-CB 4.34Å; Y81-N160 HydrophobicContact CE1-CB 3.63Å; Y81-N160 HydrophobicContact CE2-CB 3.89Å; Y81-N160 HydrophobicContact CG-CB 4.42Å; Y81-N160 PolarHBondContact OH-ND2 3.34Å; Y81-N160 VanDerWaalsContact OH-ND2 3.16Å; Q156-N160 WeakPolarHBondContact O-CB 3.17Å; Q156-N160 PolarHBondContact O-N 2.94Å; Q156-N160 PolarHBondContact O-ND2 3.43Å; E157-N160 PolarHBondContact O-N 3.45Å; N160-K162 VanDerWaalsContact C-N 3.34Å; N160-K162 PolarHBondContact O-N 3.16Å; N160-N163 PolarHBondContact O-N 3.19Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.18Å; N160-Q164 VanDerWaalsContact O-N 3.09Å
161	Y	95.1	Very high	92.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-41.3	174.2	-84.1	-62.7	0	0	0	112.5	Y81 S83 E157 Q164 C588 L591 L595	Y81-Y161 AromaticContact CD1-CD1 3.78Å; Y81-Y161 HydrophobicContact CD1-CD1 3.78Å; Y81-Y161 HydrophobicContact CD1-CD2 4.09Å; Y81-Y161 AromaticContact CD1-CE1 3.68Å; Y81-Y161 HydrophobicContact CD1-CE1 3.68Å; Y81-Y161 AromaticContact CD1-CE2 3.99Å; Y81-Y161 HydrophobicContact CD1-CE2 3.99Å; Y81-Y161 AromaticContact CD1-CG 3.98Å; Y81-Y161 HydrophobicContact CD1-CG 3.98Å; Y81-Y161 AromaticContact CD1-CZ 3.78Å; Y81-Y161 HydrophobicContact CE1-CD1 4.41Å; Y81-Y161 AromaticContact CE1-CD2 3.88Å; Y81-Y161 HydrophobicContact CE1-CD2 3.88Å; Y81-Y161 HydrophobicContact CE1-CE1 4.29Å; Y81-Y161 AromaticContact CE1-CE2 3.73Å; Y81-Y161 HydrophobicContact CE1-CE2 3.73Å; Y81-Y161 HydrophobicContact CE1-CG 4.21Å; Y81-Y161 AromaticContact CE1-CZ 3.94Å; Y81-Y161 VanDerWaalsContact O-CE1 3.31Å; Y81-Y161 WeakPolarHBondContact O-CE1 3.48Å; S83-Y161 PolarHBondContact N-OH 3.11Å; E157-Y161 VanDerWaalsContact O-CD2 3.28Å; E157-Y161 WeakPolarHBondContact O-CD2 3.42Å; E157-Y161 PolarHBondContact O-N 2.83Å; Y161-Q164 WeakPolarHBondContact O-CB 3.37Å; Y161-Q164 PolarHBondContact O-N 3.11Å; Y161-C588 HydrophobicContact CD2-CB 4.02Å; Y161-C588 HydrophobicContact CE2-CB 4.07Å; Y161-L591 HydrophobicContact CD1-CB 4.48Å; Y161-L591 HydrophobicContact CG-CB 4.26Å; Y161-L595 HydrophobicContact CD1-CD1 3.74Å; Y161-L595 HydrophobicContact CE1-CD1 4.27Å
162	K	93.1	Very high	92.2	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-57.3	-49.9	173.2	-86.6	177.4	-174	166	0	110.3	R57 V158 L159 N160 Q164 L165 D405 S438 L591	R57-K162 WeakPolarHBondContact CD-O 3.39Å; R57-K162 PolarHBondContact NE-O 3.37Å; R57-K162 VanDerWaalsContact NE-O 3.11Å; R57-K162 PolarHBondContact NH1-O 3.41Å; V158-K162 HydrophobicContact CG1-CD 3.85Å; V158-K162 VanDerWaalsContact CG1-CE 3.42Å; V158-K162 HydrophobicContact CG1-CG 4.37Å; V158-K162 VanDerWaalsContact O-CB 3.23Å; V158-K162 WeakPolarHBondContact O-CB 3.28Å; V158-K162 VanDerWaalsContact O-CG 3.27Å; V158-K162 WeakPolarHBondContact O-CG 3.4Å; V158-K162 PolarHBondContact O-N 3.39Å; L159-K162 HydrophobicContact CD2-CD 4.5Å; L159-K162 WeakPolarHBondContact O-CB 3.47Å; L159-K162 PolarHBondContact O-N 3.18Å; N160-K162 VanDerWaalsContact C-N 3.34Å; N160-K162 PolarHBondContact O-N 3.16Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 3.04Å; K162-L165 WeakPolarHBondContact O-CB 3.49Å; K162-L165 PolarHBondContact O-N 3.11Å; K162-L165 VanDerWaalsContact O-N 3.15Å; K162-D405 IonicContact NZ-OD1 2.7Å; K162-D405 IonicContact NZ-OD2 3.78Å; K162-D405 PolarHBondContact NZ-OD2 2.96Å; K162-S438 WeakPolarHBondContact CE-OG 3.4Å; K162-S438 PolarHBondContact NZ-OG 3.47Å; K162-L591 HydrophobicContact CG-CD1 3.92Å
163	N	91.8	Very high	92	Very high	47 Å²	47	40.7 Å²	40.7	25%	0.251	20%	0.201	S	C	.	.	H	α-helix	trans	-61.7	-33.7	-178.2	-68.8	-19.8	0	0	0	113.3	L159 N160 L165 D166 N372	L159-N163 WeakPolarHBondContact O-CB 3.41Å; L159-N163 PolarHBondContact O-N 2.79Å; L159-N163 PolarHBondContact O-ND2 3.11Å; L159-N163 PolarHBondContact O-OD1 3.18Å; N160-N163 PolarHBondContact O-N 3.19Å; N163-L165 PolarHBondContact O-N 2.85Å; N163-D166 WeakPolarHBondContact O-CB 3.41Å; N163-D166 PolarHBondContact O-N 3.03Å; N163-N372 PolarHBondContact OD1-ND2 2.91Å
164	Q	90.9	Very high	91.9	Very high	30 Å²	30	40.1 Å²	40.1	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-57.4	-33.6	175	-75.7	-112.1	-41.5	0	0	113.7	Y81 N160 Y161 K162 D166 Y167 L595	Y81-Q164 HydrophobicContact CG-CG 4.48Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.18Å; N160-Q164 VanDerWaalsContact O-N 3.09Å; Y161-Q164 WeakPolarHBondContact O-CB 3.37Å; Y161-Q164 PolarHBondContact O-N 3.11Å; K162-Q164 VanDerWaalsContact C-N 3.3Å; K162-Q164 PolarHBondContact O-N 3.04Å; Q164-D166 PolarHBondContact O-N 2.72Å; Q164-D166 VanDerWaalsContact O-N 3.14Å; Q164-Y167 WeakPolarHBondContact O-CD2 3.22Å; Q164-Y167 PolarHBondContact O-N 3.47Å; Q164-L595 HydrophobicContact CB-CD1 3.86Å; Q164-L595 HydrophobicContact CB-CD2 3.98Å; Q164-L595 HydrophobicContact CG-CD1 4.32Å
165	L	89.2	Confident	91.9	Very high	16 Å²	16	45 Å²	45	8%	0.084	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-65.3	-18.2	-178.4	-65.4	174.6	0	0	0	113.1	K162 N163 Y167 L168 V173 L591 L594 L595	K162-L165 WeakPolarHBondContact O-CB 3.49Å; K162-L165 PolarHBondContact O-N 3.11Å; K162-L165 VanDerWaalsContact O-N 3.15Å; N163-L165 PolarHBondContact O-N 2.85Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 3.47Å; L165-L168 HydrophobicContact CD2-CD1 4.19Å; L165-L168 PolarHBondContact O-N 3.11Å; L165-V173 HydrophobicContact CD2-CG2 4.39Å; L165-L591 HydrophobicContact CD1-CD2 3.56Å; L165-L591 HydrophobicContact CG-CD2 4.46Å; L165-L594 HydrophobicContact CD1-CD2 4.27Å; L165-L594 HydrophobicContact CD2-CD2 3.91Å; L165-L594 HydrophobicContact CD2-CG 4.29Å; L165-L595 HydrophobicContact CD2-CD2 3.64Å; L165-L595 HydrophobicContact CD2-CG 4.23Å; L165-L595 HydrophobicContact CG-CD2 4.39Å
166	D	84.8	Confident	91.9	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.123	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-72.4	-24.6	-179.7	-65.5	-27.4	0	0	0	114.1	R57 K72 N163 Q164	R57-D166 VanDerWaalsContact CA-OD2 3.31Å; R57-D166 WeakPolarHBondContact CA-OD2 3.39Å; R57-D166 WeakPolarHBondContact CB-OD2 3.34Å; R57-D166 VanDerWaalsContact CD-OD1 3.22Å; R57-D166 WeakPolarHBondContact CD-OD1 3.41Å; R57-D166 VanDerWaalsContact CD-OD2 3.29Å; R57-D166 WeakPolarHBondContact CD-OD2 3.35Å; R57-D166 VanDerWaalsContact CG-CG 3.5Å; R57-D166 WeakPolarHBondContact CG-OD1 3.43Å; R57-D166 WeakPolarHBondContact CG-OD2 3.4Å; R57-D166 PolarHBondContact N-OD2 3.38Å; R57-D166 IonicContact NE-OD1 3.56Å; R57-D166 PolarHBondContact NE-OD1 3.33Å; R57-D166 IonicContact NE-OD2 3.17Å; K72-D166 PolarHBondContact NZ-O 3.47Å; N163-D166 WeakPolarHBondContact O-CB 3.41Å; N163-D166 PolarHBondContact O-N 3.03Å; Q164-D166 PolarHBondContact O-N 2.72Å; Q164-D166 VanDerWaalsContact O-N 3.14Å
167	Y	86.7	Confident	91.9	Very high	102 Å²	102	41.9 Å²	41.9	40%	0.4	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-74.9	-18	176	-59.5	-77.9	0	0	0	111.6	K64 F76 Q164 L165	K64-Y167 PolarHBondContact NZ-OH 3.38Å; F76-Y167 HydrophobicContact CD2-CD1 4.34Å; F76-Y167 HydrophobicContact CD2-CG 4.2Å; F76-Y167 AromaticContact CE2-CD1 3.49Å; F76-Y167 HydrophobicContact CE2-CD1 3.49Å; F76-Y167 VanDerWaalsContact CE2-CD1 3.49Å; F76-Y167 HydrophobicContact CE2-CD2 4.4Å; F76-Y167 HydrophobicContact CE2-CE1 4.28Å; F76-Y167 AromaticContact CE2-CG 3.55Å; F76-Y167 HydrophobicContact CE2-CG 3.55Å; F76-Y167 HydrophobicContact CZ-CD1 4.07Å; F76-Y167 HydrophobicContact CZ-CD2 4.34Å; F76-Y167 AromaticContact CZ-CG 3.93Å; F76-Y167 HydrophobicContact CZ-CG 3.93Å; Q164-Y167 WeakPolarHBondContact O-CD2 3.22Å; Q164-Y167 PolarHBondContact O-N 3.47Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 3.47Å
168	L	87.1	Confident	91.9	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.094	23%	0.226	C	C	.	.	S	Bend	trans	-88.5	155.4	176.9	-57.5	177.7	0	0	0	111.9	L165 V173 L595 S598	L165-L168 HydrophobicContact CD2-CD1 4.19Å; L165-L168 PolarHBondContact O-N 3.11Å; L168-V173 HydrophobicContact CB-CG2 3.74Å; L168-V173 HydrophobicContact CD1-CG2 4.18Å; L168-L595 HydrophobicContact CD1-CD2 3.8Å; L168-S598 VanDerWaalsContact CD1-OG 3.28Å; L168-S598 WeakPolarHBondContact CD1-OG 3.1Å
169	S	89.3	Confident	91.9	Very high	48 Å²	48	47.9 Å²	47.9	34%	0.336	24%	0.235	S	C	.	.			trans	-75.2	145.8	172	77.6	0	0	0	0	110.6	L171 N172 V173	S169-L171 PolarHBondContact O-N 3.35Å; S169-N172 PolarHBondContact O-N 3.39Å; S169-N172 WeakPolarHBondContact OG-CB 3.43Å; S169-N172 PolarHBondContact OG-N 3.07Å; S169-N172 VanDerWaalsContact OG-N 3.12Å; S169-V173 WeakPolarHBondContact O-CG2 3.32Å; S169-V173 PolarHBondContact O-N 3.02Å
170	K	87.2	Confident	92	Very high	153 Å²	153	48.2 Å²	48.2	67%	0.665	24%	0.237	S	C	*	.	H	α-helix	trans	-55.5	-35.7	176.9	-71.8	-170.9	178.7	-173.1	0	112.2	T174	K170-T174 WeakPolarHBondContact O-CB 3.49Å; K170-T174 PolarHBondContact O-N 3.42Å; K170-T174 PolarHBondContact O-OG1 2.99Å
171	L	91.9	Very high	92	Very high	111 Å²	111	45.9 Å²	45.9	58%	0.581	23%	0.225	S	C	*	.	H	α-helix	trans	-66	-44.8	176.8	-176.2	64.5	0	0	0	111.8	S169 T174 K175	S169-L171 PolarHBondContact O-N 3.35Å; L171-T174 PolarHBondContact O-N 2.94Å; L171-K175 HydrophobicContact CD1-CG 4.47Å; L171-K175 HydrophobicContact CG-CD 4.43Å; L171-K175 WeakPolarHBondContact O-CG 3.43Å; L171-K175 PolarHBondContact O-N 3.46Å
172	N	93.6	Very high	92.1	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-46.2	178.2	-170.5	8.4	0	0	0	110.9	S169 T174 K175 S176 S598	S169-N172 PolarHBondContact O-N 3.39Å; S169-N172 WeakPolarHBondContact OG-CB 3.43Å; S169-N172 PolarHBondContact OG-N 3.07Å; S169-N172 VanDerWaalsContact OG-N 3.12Å; N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 3.48Å; N172-K175 PolarHBondContact O-N 3.33Å; N172-S176 VanDerWaalsContact O-CB 3.25Å; N172-S176 WeakPolarHBondContact O-CB 3.44Å; N172-S176 PolarHBondContact O-N 3.42Å; N172-S176 PolarHBondContact O-OG 3.2Å; N172-S176 PolarHBondContact OD1-OG 3.17Å; N172-S176 VanDerWaalsContact OD1-OG 3.09Å; N172-S598 PolarHBondContact ND2-O 3.47Å
173	V	91.9	Very high	92.2	Very high	34 Å²	34	46.7 Å²	46.7	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-43.1	175.8	176	0	0	0	0	111.1	L165 L168 S169 S176 H177 L594	L165-V173 HydrophobicContact CD2-CG2 4.39Å; L168-V173 HydrophobicContact CB-CG2 3.74Å; L168-V173 HydrophobicContact CD1-CG2 4.18Å; S169-V173 WeakPolarHBondContact O-CG2 3.32Å; S169-V173 PolarHBondContact O-N 3.02Å; V173-S176 PolarHBondContact O-N 2.83Å; V173-H177 WeakPolarHBondContact O-CB 3.43Å; V173-H177 PolarHBondContact O-N 3.27Å; V173-L594 HydrophobicContact CG1-CD2 4.3Å
174	T	92.6	Very high	92.4	Very high	68 Å²	68	44.7 Å²	44.7	42%	0.417	22%	0.218	S	C	.	.	H	α-helix	trans	-65.6	-50.2	-180	-57	0	0	0	0	111.9	K170 L171 N172 S176 H177 E178	K170-T174 WeakPolarHBondContact O-CB 3.49Å; K170-T174 PolarHBondContact O-N 3.42Å; K170-T174 PolarHBondContact O-OG1 2.99Å; L171-T174 PolarHBondContact O-N 2.94Å; N172-T174 VanDerWaalsContact C-N 3.27Å; N172-T174 PolarHBondContact O-N 3.48Å; T174-S176 VanDerWaalsContact C-N 3.28Å; T174-S176 PolarHBondContact O-N 2.99Å; T174-H177 WeakPolarHBondContact O-CB 3.31Å; T174-H177 PolarHBondContact O-N 2.66Å; T174-E178 WeakPolarHBondContact O-CG 3.27Å; T174-E178 PolarHBondContact O-N 3.13Å
175	K	95.4	Very high	92.7	Very high	115 Å²	115	46.2 Å²	46.2	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-34.2	178.2	-72.4	-176.5	176.1	-176.4	0	112.8	L171 N172 E178 R179	L171-K175 HydrophobicContact CD1-CG 4.47Å; L171-K175 HydrophobicContact CG-CD 4.43Å; L171-K175 WeakPolarHBondContact O-CG 3.43Å; L171-K175 PolarHBondContact O-N 3.46Å; N172-K175 PolarHBondContact O-N 3.33Å; K175-E178 PolarHBondContact O-N 3.34Å; K175-R179 WeakPolarHBondContact O-CG 3.27Å; K175-R179 PolarHBondContact O-N 2.97Å; K175-R179 PolarHBondContact O-NE 2.71Å
176	S	95.8	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.6	-42.6	177.5	-59.8	0	0	0	0	110.8	N172 V173 T174 E178 R179 C180 S598	N172-S176 VanDerWaalsContact O-CB 3.25Å; N172-S176 WeakPolarHBondContact O-CB 3.44Å; N172-S176 PolarHBondContact O-N 3.42Å; N172-S176 PolarHBondContact O-OG 3.2Å; N172-S176 PolarHBondContact OD1-OG 3.17Å; N172-S176 VanDerWaalsContact OD1-OG 3.09Å; V173-S176 PolarHBondContact O-N 2.83Å; T174-S176 VanDerWaalsContact C-N 3.28Å; T174-S176 PolarHBondContact O-N 2.99Å; S176-E178 VanDerWaalsContact C-N 3.3Å; S176-E178 PolarHBondContact O-N 3.05Å; S176-R179 PolarHBondContact O-N 3.23Å; S176-R179 PolarHBondContact OG-NH2 3.17Å; S176-C180 WeakPolarHBondContact O-CB 3.42Å; S176-C180 PolarHBondContact O-N 2.71Å; S176-C180 PolarHBondContact O-SG 2.93Å; S176-C180 VanDerWaalsContact O-SG 3.33Å; S176-S598 WeakPolarHBondContact OG-CA 3.17Å
177	H	94.3	Very high	93.5	Very high	13 Å²	13	49.6 Å²	49.6	6%	0.06	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-43.2	172.4	-173.6	-75.2	0	0	0	111.9	V173 T174 R179 C180 N181 E184 R434 L594	V173-H177 WeakPolarHBondContact O-CB 3.43Å; V173-H177 PolarHBondContact O-N 3.27Å; T174-H177 WeakPolarHBondContact O-CB 3.31Å; T174-H177 PolarHBondContact O-N 2.66Å; H177-R179 PolarHBondContact O-N 3.32Å; H177-C180 PolarHBondContact O-N 3.26Å; H177-N181 PolarHBondContact CE1-ND2 2.96Å; H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.31Å; H177-N181 PolarHBondContact O-N 3.42Å; H177-N181 VanDerWaalsContact O-N 3.09Å; H177-E184 IonicContact CE1-OE2 3.45Å; H177-E184 PolarHBondContact CE1-OE2 2.83Å; H177-E184 VanDerWaalsContact CE1-OE2 3.26Å; H177-E184 IonicContact ND1-OE2 3.26Å; H177-E184 PolarHBondContact ND1-OE2 3.45Å; H177-R434 VanDerWaalsContact CE1-CD 3.46Å; H177-R434 WeakPolarHBondContact CE1-CD 3.43Å; H177-R434 VanDerWaalsContact CE1-CG 3.45Å; H177-R434 WeakPolarHBondContact CE1-CG 3.4Å; H177-R434 PolarHBondContact CE1-NE 3.13Å; H177-R434 VanDerWaalsContact NE2-CB 3.34Å; H177-R434 WeakPolarHBondContact NE2-CB 3.26Å; H177-R434 WeakPolarHBondContact NE2-CD 3.45Å; H177-R434 WeakPolarHBondContact NE2-CG 3.46Å; H177-L594 HydrophobicContact CB-CD1 4.02Å; H177-L594 VanDerWaalsContact N-CD1 3.33Å
178	E	95.2	Very high	93.8	Very high	86 Å²	86	49 Å²	49	40%	0.402	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-32.9	179.4	-74.4	174.9	171.1	0	0	113.1	T174 K175 S176 E184 Q608	T174-E178 WeakPolarHBondContact O-CG 3.27Å; T174-E178 PolarHBondContact O-N 3.13Å; K175-E178 PolarHBondContact O-N 3.34Å; S176-E178 VanDerWaalsContact C-N 3.3Å; S176-E178 PolarHBondContact O-N 3.05Å; E178-E184 HydrophobicContact CB-CG 4.34Å; E178-E184 HydrophobicContact CG-CG 4.3Å; E178-Q608 PolarHBondContact O-NE2 3.45Å
179	R	95.9	Very high	94.1	Very high	47 Å²	47	49 Å²	49	18%	0.177	24%	0.243	C	C	.	.	H	α-helix	trans	-86.1	-32.9	179.3	-70	-178.3	-62.9	123.7	-3.7	113.9	K175 S176 H177 F597 N600 H601 L603 E605	K175-R179 WeakPolarHBondContact O-CG 3.27Å; K175-R179 PolarHBondContact O-N 2.97Å; K175-R179 PolarHBondContact O-NE 2.71Å; S176-R179 PolarHBondContact O-N 3.23Å; S176-R179 PolarHBondContact OG-NH2 3.17Å; H177-R179 PolarHBondContact O-N 3.32Å; R179-F597 HydrophobicContact CB-CD1 3.89Å; R179-F597 HydrophobicContact CB-CE1 4.2Å; R179-F597 PolarHBondContact NH2-O 2.7Å; R179-N600 PolarHBondContact NH1-O 3.28Å; R179-H601 PolarHBondContact NH1-O 3.06Å; R179-L603 PolarHBondContact NH1-O 3.44Å; R179-E605 WeakPolarHBondContact O-CB 3.49Å; R179-E605 PolarHBondContact O-N 3.27Å; R179-E605 VanDerWaalsContact O-N 3.08Å
180	C	95.5	Very high	94.2	Very high	9 Å²	9	47 Å²	47	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-94.8	-22	-170.8	81.7	0	0	0	0	113.9	S176 H177 P182 K593 F597	S176-C180 WeakPolarHBondContact O-CB 3.42Å; S176-C180 PolarHBondContact O-N 2.71Å; S176-C180 PolarHBondContact O-SG 2.93Å; S176-C180 VanDerWaalsContact O-SG 3.33Å; H177-C180 PolarHBondContact O-N 3.26Å; C180-P182 WeakPolarHBondContact O-CD 3.46Å; C180-K593 HydrophobicContact CB-CG 4.26Å; C180-K593 WeakPolarHBondContact O-CE 3.4Å; C180-K593 PolarHBondContact O-NZ 3.14Å; C180-F597 HydrophobicContact CB-CB 4.06Å; C180-F597 HydrophobicContact CB-CD1 3.4Å; C180-F597 HydrophobicContact CB-CD2 3.85Å; C180-F597 HydrophobicContact CB-CE1 3.65Å; C180-F597 HydrophobicContact CB-CE2 4.08Å; C180-F597 HydrophobicContact CB-CG 3.5Å; C180-F597 VanDerWaalsContact CB-CG 3.5Å; C180-F597 HydrophobicContact CB-CZ 3.98Å
181	N	95.4	Very high	94.6	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	20%	0.197	C	C	.	.			trans	-80	115.6	-180	175.1	22.9	0	0	0	110.3	H177 Y183 E184 Q608	H177-N181 PolarHBondContact CE1-ND2 2.96Å; H177-N181 VanDerWaalsContact O-CB 3.23Å; H177-N181 WeakPolarHBondContact O-CB 3.31Å; H177-N181 PolarHBondContact O-N 3.42Å; H177-N181 VanDerWaalsContact O-N 3.09Å; N181-Y183 PolarHBondContact O-N 3.45Å; N181-Y183 VanDerWaalsContact O-N 3.15Å; N181-Y183 PolarHBondContact OD1-N 2.86Å; N181-E184 HydrophobicContact CB-CB 4.15Å; N181-E184 PolarHBondContact ND2-N 3.29Å; N181-E184 PolarHBondContact ND2-OE2 3.24Å; N181-E184 VanDerWaalsContact ND2-OE2 3.13Å; N181-E184 WeakPolarHBondContact O-CB 3.32Å; N181-E184 PolarHBondContact O-N 3.37Å; N181-Q608 PolarHBondContact O-NE2 3.15Å
182	P	96	Very high	94.7	Very high	6 Å²	6	35 Å²	35	4%	0.039	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26	-179.8	-20.9	33	0	0	0	114.1	T99 C180 E605 Q608 L611	T99-P182 HydrophobicContact CG2-CB 3.38Å; T99-P182 HydrophobicContact CG2-CG 3.51Å; C180-P182 WeakPolarHBondContact O-CD 3.46Å; P182-E605 HydrophobicContact CB-CG 3.94Å; P182-E605 HydrophobicContact CG-CG 3.97Å; P182-Q608 WeakPolarHBondContact O-CA 3.36Å; P182-L611 HydrophobicContact CB-CD1 3.45Å; P182-L611 VanDerWaalsContact CB-CD1 3.45Å
183	Y	96.9	Very high	94.7	Very high	20 Å²	20	35.3 Å²	35.3	8%	0.078	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.8	-175.9	-50.4	-73.2	0	0	0	113.4	T100 N181 L185 I186 V431 L611	T100-Y183 PolarHBondContact N-OH 3.15Å; T100-Y183 PolarHBondContact O-OH 3.31Å; N181-Y183 PolarHBondContact O-N 3.45Å; N181-Y183 VanDerWaalsContact O-N 3.15Å; N181-Y183 PolarHBondContact OD1-N 2.86Å; Y183-L185 VanDerWaalsContact C-N 3.32Å; Y183-L185 PolarHBondContact O-N 2.89Å; Y183-I186 HydrophobicContact CD1-CD1 4.39Å; Y183-I186 WeakPolarHBondContact O-CB 3.46Å; Y183-I186 WeakPolarHBondContact O-CG1 3.42Å; Y183-I186 PolarHBondContact O-N 2.94Å; Y183-V431 WeakPolarHBondContact CB-O 3.47Å; Y183-V431 HydrophobicContact CD1-CB 3.86Å; Y183-V431 HydrophobicContact CD1-CG2 4.07Å; Y183-V431 HydrophobicContact CD2-CB 3.77Å; Y183-V431 HydrophobicContact CD2-CG1 4.38Å; Y183-V431 WeakPolarHBondContact CD2-O 3.25Å; Y183-V431 HydrophobicContact CE1-CB 3.77Å; Y183-V431 HydrophobicContact CE1-CG1 3.92Å; Y183-V431 HydrophobicContact CE1-CG2 4.14Å; Y183-V431 HydrophobicContact CE2-CB 3.69Å; Y183-V431 HydrophobicContact CE2-CG1 3.78Å; Y183-V431 HydrophobicContact CG-CB 3.84Å; Y183-V431 HydrophobicContact CG-CG2 4.38Å; Y183-L611 HydrophobicContact CD1-CB 4.4Å; Y183-L611 HydrophobicContact CD1-CD1 4.47Å; Y183-L611 HydrophobicContact CE1-CD1 4.2Å; Y183-L611 HydrophobicContact CE1-CD2 4.2Å
184	E	95.9	Very high	94.9	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-63.5	-34.4	-171.2	-173.8	65.7	-158.7	0	0	113.3	H177 E178 N181 I186 K187 R194	H177-E184 IonicContact CE1-OE2 3.45Å; H177-E184 PolarHBondContact CE1-OE2 2.83Å; H177-E184 VanDerWaalsContact CE1-OE2 3.26Å; H177-E184 IonicContact ND1-OE2 3.26Å; H177-E184 PolarHBondContact ND1-OE2 3.45Å; E178-E184 HydrophobicContact CB-CG 4.34Å; E178-E184 HydrophobicContact CG-CG 4.3Å; N181-E184 HydrophobicContact CB-CB 4.15Å; N181-E184 PolarHBondContact ND2-N 3.29Å; N181-E184 PolarHBondContact ND2-OE2 3.24Å; N181-E184 VanDerWaalsContact ND2-OE2 3.13Å; N181-E184 WeakPolarHBondContact O-CB 3.32Å; N181-E184 PolarHBondContact O-N 3.37Å; E184-I186 PolarHBondContact O-N 3.06Å; E184-K187 WeakPolarHBondContact O-CG 3.48Å; E184-K187 PolarHBondContact O-N 3.31Å; E184-R194 IonicContact OE1-CZ 3.16Å; E184-R194 IonicContact OE1-NH1 3.33Å; E184-R194 PolarHBondContact OE1-NH1 2.92Å; E184-R194 IonicContact OE1-NH2 2.76Å; E184-R194 PolarHBondContact OE1-NH2 3.25Å; E184-R194 IonicContact OE2-NH1 2.82Å; E184-R194 PolarHBondContact OE2-NH1 3.33Å
185	L	95.9	Very high	95	Very high	62 Å²	62	34.8 Å²	34.8	33%	0.325	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-66.9	-19.3	-176.6	-71.7	-174.7	0	0	0	114.1	Y183 K187 Q608 D609 Y612	Y183-L185 VanDerWaalsContact C-N 3.32Å; Y183-L185 PolarHBondContact O-N 2.89Å; L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.05Å; L185-Q608 HydrophobicContact CD1-CB 3.61Å; L185-Q608 HydrophobicContact CG-CB 3.81Å; L185-D609 HydrophobicContact CD1-CB 4.48Å; L185-Y612 HydrophobicContact CB-CD2 4.36Å; L185-Y612 HydrophobicContact CB-CG 4.28Å
186	I	96.2	Very high	95.1	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.036	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-55.8	-43.3	174.1	-59.3	-178.3	0	0	0	111.2	Y183 E184 K188 G189 M197 T432 Y612 C615 L616 W619	Y183-I186 HydrophobicContact CD1-CD1 4.39Å; Y183-I186 WeakPolarHBondContact O-CB 3.46Å; Y183-I186 WeakPolarHBondContact O-CG1 3.42Å; Y183-I186 PolarHBondContact O-N 2.94Å; E184-I186 PolarHBondContact O-N 3.06Å; I186-K188 PolarHBondContact O-N 3.43Å; I186-G189 PolarHBondContact O-N 2.94Å; I186-M197 HydrophobicContact CG2-CB 4.16Å; I186-M197 HydrophobicContact CG2-CE 3.6Å; I186-M197 HydrophobicContact CG2-CG 4.18Å; I186-T432 HydrophobicContact CD1-CG2 4.43Å; I186-T432 HydrophobicContact CG2-CG2 4.3Å; I186-Y612 HydrophobicContact CG1-CD2 4.26Å; I186-C615 HydrophobicContact CD1-CB 3.78Å; I186-L616 HydrophobicContact CG1-CD1 4.47Å; I186-L616 HydrophobicContact CG2-CD1 4.26Å; I186-W619 HydrophobicContact CD1-CH2 3.57Å; I186-W619 HydrophobicContact CD1-CZ3 3.92Å; I186-W619 HydrophobicContact CG2-CH2 4.42Å; I186-W619 HydrophobicContact CG2-CZ3 3.85Å
187	K	94.3	Very high	95.2	Very high	103 Å²	103	29.4 Å²	29.4	45%	0.448	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	-112.4	179.2	-59.9	-175.7	178.8	170.7	0	112	E184 L185 R194	E184-K187 WeakPolarHBondContact O-CG 3.48Å; E184-K187 PolarHBondContact O-N 3.31Å; L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.05Å; K187-R194 WeakPolarHBondContact O-CA 3.4Å; K187-R194 WeakPolarHBondContact O-CB 3.41Å; K187-R194 VanDerWaalsContact O-CG 3.3Å; K187-R194 WeakPolarHBondContact O-CG 3.41Å
188	K	94.4	Very high	95.3	Very high	91 Å²	91	30 Å²	30	40%	0.396	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-3.6	-175.2	65.5	-177.4	-177.7	-176.5	0	113.6	I186 I190 F191 N193	I186-K188 PolarHBondContact O-N 3.43Å; K188-I190 PolarHBondContact O-N 3.17Å; K188-F191 WeakPolarHBondContact O-CA 3.34Å; K188-F191 WeakPolarHBondContact O-CB 3.32Å; K188-F191 PolarHBondContact O-N 2.91Å; K188-N193 VanDerWaalsContact CB-C 3.5Å
189	G	91.8	Very high	95.5	Very high	17 Å²	17	25.9 Å²	25.9	18%	0.175	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-131.8	-172.3	0	0	0	0	0	113	I186 F191	I186-G189 PolarHBondContact O-N 2.94Å; G189-F191 VanDerWaalsContact C-N 3.27Å; G189-F191 PolarHBondContact O-N 3.31Å
190	I	92.8	Very high	95.5	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.3	176.2	59.1	167	0	0	0	114.1	K188 W238 A316 P622 T624 R626 W631	K188-I190 PolarHBondContact O-N 3.17Å; I190-W238 HydrophobicContact CD1-CD2 4.2Å; I190-W238 HydrophobicContact CD1-CZ2 3.89Å; I190-A316 HydrophobicContact CD1-CB 4.31Å; I190-P622 HydrophobicContact CD1-CG 4.06Å; I190-T624 VanDerWaalsContact CG2-O 3.32Å; I190-T624 WeakPolarHBondContact CG2-O 3.03Å; I190-R626 VanDerWaalsContact O-CD 3.29Å; I190-R626 WeakPolarHBondContact O-CD 3.27Å; I190-R626 WeakPolarHBondContact O-CG 3.48Å; I190-W631 HydrophobicContact CB-CZ3 4.02Å; I190-W631 HydrophobicContact CD1-CE3 4.03Å; I190-W631 HydrophobicContact CD1-CH2 3.65Å; I190-W631 HydrophobicContact CD1-CZ2 4.31Å; I190-W631 HydrophobicContact CD1-CZ3 3.48Å; I190-W631 VanDerWaalsContact CD1-CZ3 3.48Å; I190-W631 HydrophobicContact CG1-CZ3 4.35Å; I190-W631 HydrophobicContact CG2-CH2 4.3Å; I190-W631 HydrophobicContact CG2-CZ3 3.89Å
191	F	95.3	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-100.3	170.6	-171.9	-53.6	-73.6	0	0	0	113.2	K188 G189 N193 A196 M197 E234 Y235 W238 A316 I621 R626	K188-F191 WeakPolarHBondContact O-CA 3.34Å; K188-F191 WeakPolarHBondContact O-CB 3.32Å; K188-F191 PolarHBondContact O-N 2.91Å; G189-F191 VanDerWaalsContact C-N 3.27Å; G189-F191 PolarHBondContact O-N 3.31Å; F191-N193 VanDerWaalsContact C-N 3.35Å; F191-N193 PolarHBondContact O-N 3.27Å; F191-A196 HydrophobicContact CB-CB 3.3Å; F191-A196 HydrophobicContact CD1-CB 4.01Å; F191-A196 HydrophobicContact CD2-CB 3.7Å; F191-A196 HydrophobicContact CG-CB 3.4Å; F191-M197 HydrophobicContact CD2-CG 4.36Å; F191-M197 HydrophobicContact CD2-SD 3.57Å; F191-M197 VanDerWaalsContact CD2-SD 3.57Å; F191-M197 HydrophobicContact CE2-SD 3.69Å; F191-E234 WeakPolarHBondContact CA-OE2 3.5Å; F191-E234 WeakPolarHBondContact CB-OE2 3.49Å; F191-E234 HydrophobicContact CD1-CG 4.03Å; F191-Y235 HydrophobicContact CE1-CD2 4.41Å; F191-Y235 HydrophobicContact CE2-CD2 4.3Å; F191-Y235 AromaticContact CZ-CD2 3.81Å; F191-Y235 HydrophobicContact CZ-CD2 3.81Å; F191-W238 HydrophobicContact CE1-CB 4.03Å; F191-W238 HydrophobicContact CE1-CD2 4.02Å; F191-W238 AromaticContact CE1-CE3 3.95Å; F191-W238 HydrophobicContact CE1-CE3 3.95Å; F191-W238 HydrophobicContact CE1-CG 4.06Å; F191-W238 AromaticContact CZ-CD2 3.99Å; F191-W238 HydrophobicContact CZ-CD2 3.99Å; F191-W238 AromaticContact CZ-CE3 3.57Å; F191-W238 HydrophobicContact CZ-CE3 3.57Å; F191-W238 AromaticContact CZ-CZ3 3.99Å; F191-W238 HydrophobicContact CZ-CZ3 3.99Å; F191-A316 HydrophobicContact CD1-CB 3.65Å; F191-A316 HydrophobicContact CE1-CB 3.76Å; F191-I621 HydrophobicContact CE2-CD1 4.1Å; F191-I621 HydrophobicContact CE2-CG2 4.48Å; F191-I621 HydrophobicContact CZ-CD1 4.17Å; F191-R626 WeakPolarHBondContact O-CD 3.49Å; F191-R626 PolarHBondContact O-NE 2.89Å
192	M	93.3	Very high	95.8	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.064	11%	0.108	C	C	.	.	S	Bend	trans	-65.5	-33.3	-177.1	69.7	175.4	68.4	0	0	114.4	P229 E234 D313 F314 R626	M192-P229 HydrophobicContact SD-CB 3.96Å; M192-P229 HydrophobicContact SD-CG 3.82Å; M192-E234 WeakPolarHBondContact CB-OE2 3.06Å; M192-E234 HydrophobicContact CE-CB 4.03Å; M192-E234 HydrophobicContact CE-CG 4.39Å; M192-E234 WeakPolarHBondContact CG-OE2 3.41Å; M192-E234 PolarHBondContact N-OE2 3.39Å; M192-D313 HydrophobicContact CB-CB 4.38Å; M192-D313 HydrophobicContact CE-CB 4.23Å; M192-F314 HydrophobicContact CE-CB 4.47Å; M192-F314 HydrophobicContact CE-CD1 3.04Å; M192-F314 HydrophobicContact CE-CE1 3.3Å; M192-F314 HydrophobicContact CE-CG 3.86Å; M192-F314 HydrophobicContact CE-CZ 4.32Å; M192-F314 HydrophobicContact SD-CE1 4.34Å; M192-R626 VanDerWaalsContact CA-CZ 3.42Å
193	N	94.1	Very high	95.9	Very high	31 Å²	31	22.4 Å²	22.4	17%	0.166	11%	0.106	C	C	.	.	S	Bend	trans	-151.2	174.6	-173.9	71.5	9.4	0	0	0	111.5	K188 F191 A195 A196 P229 G231	K188-N193 VanDerWaalsContact CB-C 3.5Å; F191-N193 VanDerWaalsContact C-N 3.35Å; F191-N193 PolarHBondContact O-N 3.27Å; N193-A195 VanDerWaalsContact C-N 3.28Å; N193-A195 PolarHBondContact O-N 2.84Å; N193-A195 WeakPolarHBondContact OD1-CB 3.42Å; N193-A195 PolarHBondContact OD1-N 2.86Å; N193-A195 VanDerWaalsContact OD1-N 3.15Å; N193-A196 PolarHBondContact OD1-N 2.96Å; N193-P229 WeakPolarHBondContact ND2-CD 3.34Å; N193-P229 VanDerWaalsContact ND2-CG 3.31Å; N193-P229 WeakPolarHBondContact ND2-CG 3.31Å; N193-G231 WeakPolarHBondContact OD1-CA 3.31Å
194	R	95.4	Very high	95.9	Very high	83 Å²	83	22.1 Å²	22.1	31%	0.313	11%	0.107	S	C	.	.	H	α-helix	trans	-69.9	-24	-179.6	-48.8	-166	-174.9	-167.1	-2.9	113.1	E184 K187 A196 M197 K198	E184-R194 IonicContact OE1-CZ 3.16Å; E184-R194 IonicContact OE1-NH1 3.33Å; E184-R194 PolarHBondContact OE1-NH1 2.92Å; E184-R194 IonicContact OE1-NH2 2.76Å; E184-R194 PolarHBondContact OE1-NH2 3.25Å; E184-R194 IonicContact OE2-NH1 2.82Å; E184-R194 PolarHBondContact OE2-NH1 3.33Å; K187-R194 WeakPolarHBondContact O-CA 3.4Å; K187-R194 WeakPolarHBondContact O-CB 3.41Å; K187-R194 VanDerWaalsContact O-CG 3.3Å; K187-R194 WeakPolarHBondContact O-CG 3.41Å; R194-A196 VanDerWaalsContact C-N 3.3Å; R194-A196 PolarHBondContact O-N 2.8Å; R194-M197 WeakPolarHBondContact O-CB 3.4Å; R194-M197 PolarHBondContact O-N 3.37Å; R194-M197 VanDerWaalsContact O-N 3.09Å; R194-K198 PolarHBondContact O-N 2.9Å; R194-K198 VanDerWaalsContact O-N 3.14Å
195	A	95.8	Very high	95.9	Very high	8 Å²	8	23.8 Å²	23.8	7%	0.066	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-39.6	-179.7	0	0	0	0	0	111.2	N193 M197 K198 M199 F232	N193-A195 VanDerWaalsContact C-N 3.28Å; N193-A195 PolarHBondContact O-N 2.84Å; N193-A195 WeakPolarHBondContact OD1-CB 3.42Å; N193-A195 PolarHBondContact OD1-N 2.86Å; N193-A195 VanDerWaalsContact OD1-N 3.15Å; A195-M197 VanDerWaalsContact C-N 3.26Å; A195-M197 PolarHBondContact O-N 3.28Å; A195-K198 WeakPolarHBondContact O-CA 3.35Å; A195-K198 WeakPolarHBondContact O-CB 3.23Å; A195-K198 PolarHBondContact O-N 3.48Å; A195-M199 PolarHBondContact O-N 3.41Å; A195-F232 HydrophobicContact CB-CD1 4.06Å; A195-F232 HydrophobicContact CB-CE1 3.91Å; A195-F232 VanDerWaalsContact O-CD1 3.26Å; A195-F232 WeakPolarHBondContact O-CD1 3.5Å; A195-F232 WeakPolarHBondContact O-CE1 3.35Å
196	A	97.2	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.3	-40.5	173.2	0	0	0	0	0	113.2	F191 N193 R194 K198 M199 A200 G231	F191-A196 HydrophobicContact CB-CB 3.3Å; F191-A196 HydrophobicContact CD1-CB 4.01Å; F191-A196 HydrophobicContact CD2-CB 3.7Å; F191-A196 HydrophobicContact CG-CB 3.4Å; N193-A196 PolarHBondContact OD1-N 2.96Å; R194-A196 VanDerWaalsContact C-N 3.3Å; R194-A196 PolarHBondContact O-N 2.8Å; A196-K198 VanDerWaalsContact C-N 3.34Å; A196-M199 PolarHBondContact O-N 3.39Å; A196-A200 PolarHBondContact O-N 2.81Å; A196-G231 WeakPolarHBondContact CA-O 3.31Å; A196-G231 WeakPolarHBondContact CB-O 3.28Å
197	M	97.2	Very high	95.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-30.4	176.4	-64.9	-57.2	-64.3	0	0	112.4	I186 F191 R194 A195 A200 N201 T432 L616 W619 I621	I186-M197 HydrophobicContact CG2-CB 4.16Å; I186-M197 HydrophobicContact CG2-CE 3.6Å; I186-M197 HydrophobicContact CG2-CG 4.18Å; F191-M197 HydrophobicContact CD2-CG 4.36Å; F191-M197 HydrophobicContact CD2-SD 3.57Å; F191-M197 VanDerWaalsContact CD2-SD 3.57Å; F191-M197 HydrophobicContact CE2-SD 3.69Å; R194-M197 WeakPolarHBondContact O-CB 3.4Å; R194-M197 PolarHBondContact O-N 3.37Å; R194-M197 VanDerWaalsContact O-N 3.09Å; A195-M197 VanDerWaalsContact C-N 3.26Å; A195-M197 PolarHBondContact O-N 3.28Å; M197-A200 PolarHBondContact O-N 3.43Å; M197-N201 WeakPolarHBondContact O-CB 3.34Å; M197-N201 PolarHBondContact O-N 2.98Å; M197-T432 HydrophobicContact CB-CG2 4.44Å; M197-L616 HydrophobicContact CE-CD1 3.94Å; M197-L616 HydrophobicContact CE-CG 4.37Å; M197-W619 HydrophobicContact CE-CE3 3.87Å; M197-W619 HydrophobicContact CE-CZ3 3.85Å; M197-I621 HydrophobicContact CE-CG1 4.33Å; M197-I621 HydrophobicContact CE-CG2 4.31Å; M197-I621 HydrophobicContact SD-CG2 4.46Å
198	K	97.5	Very high	96	Very high	25 Å²	25	23.2 Å²	23.2	11%	0.109	12%	0.117	C	C	.	.	H	α-helix	trans	-65.1	-43.9	171.7	-57	-179.4	-167.6	173.8	0	111.4	R194 A195 A196 A200 N201 I202 F232 T432 E439 Y441	R194-K198 PolarHBondContact O-N 2.9Å; R194-K198 VanDerWaalsContact O-N 3.14Å; A195-K198 WeakPolarHBondContact O-CA 3.35Å; A195-K198 WeakPolarHBondContact O-CB 3.23Å; A195-K198 PolarHBondContact O-N 3.48Å; A196-K198 VanDerWaalsContact C-N 3.34Å; K198-A200 VanDerWaalsContact C-N 3.32Å; K198-A200 PolarHBondContact O-N 3.18Å; K198-N201 PolarHBondContact O-N 3.09Å; K198-I202 WeakPolarHBondContact O-CB 3.33Å; K198-I202 VanDerWaalsContact O-CG1 3.3Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 3.31Å; K198-F232 HydrophobicContact CB-CE1 4.33Å; K198-T432 WeakPolarHBondContact CA-OG1 3.48Å; K198-E439 WeakPolarHBondContact CD-OE1 3.31Å; K198-E439 WeakPolarHBondContact CE-OE1 3.06Å; K198-E439 IonicContact NZ-OE1 3.84Å; K198-E439 PolarHBondContact NZ-OE1 2.82Å; K198-E439 IonicContact NZ-OE2 2.79Å; K198-E439 PolarHBondContact NZ-OE2 2.78Å; K198-Y441 HydrophobicContact CD-CE2 4.44Å; K198-Y441 WeakPolarHBondContact CD-OH 3.46Å; K198-Y441 PolarHBondContact NZ-OH 3.39Å
199	M	97.8	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-40.5	174.4	-168.3	63.2	-158.4	0	0	111.6	A195 A196 N201 I202 D203 F210 F232 Y235 M360 L400	A195-M199 PolarHBondContact O-N 3.41Å; A196-M199 PolarHBondContact O-N 3.39Å; M199-N201 VanDerWaalsContact C-N 3.35Å; M199-N201 PolarHBondContact O-N 3.24Å; M199-I202 PolarHBondContact O-N 3.38Å; M199-D203 HydrophobicContact CE-CB 4.42Å; M199-D203 WeakPolarHBondContact O-CB 3.27Å; M199-D203 PolarHBondContact O-N 3.47Å; M199-F210 HydrophobicContact CE-CB 3.57Å; M199-F210 HydrophobicContact CE-CD1 4.02Å; M199-F210 HydrophobicContact CE-CD2 3.63Å; M199-F210 HydrophobicContact CE-CE2 4.3Å; M199-F210 HydrophobicContact CE-CG 3.46Å; M199-F210 VanDerWaalsContact CE-CG 3.46Å; M199-F232 HydrophobicContact CB-CD1 3.61Å; M199-F232 HydrophobicContact CB-CE1 4.03Å; M199-F232 HydrophobicContact CB-CG 4.21Å; M199-F232 HydrophobicContact CG-CD1 4.38Å; M199-Y235 HydrophobicContact CB-CD1 3.72Å; M199-Y235 HydrophobicContact CB-CE1 4.37Å; M199-Y235 HydrophobicContact CB-CG 4.12Å; M199-Y235 HydrophobicContact CG-CD1 3.26Å; M199-Y235 HydrophobicContact CG-CE1 3.75Å; M199-Y235 HydrophobicContact CG-CG 4.14Å; M199-M360 HydrophobicContact CE-CG 4.3Å; M199-M360 HydrophobicContact CE-SD 3.56Å; M199-M360 VanDerWaalsContact CE-SD 3.56Å; M199-M360 HydrophobicContact CG-SD 4.22Å; M199-M360 HydrophobicContact SD-CG 4.36Å; M199-M360 HydrophobicContact SD-SD 3.63Å; M199-M360 VanDerWaalsContact SD-SD 3.63Å; M199-L400 HydrophobicContact CE-CD2 4.07Å; M199-L400 HydrophobicContact SD-CD2 3.31Å; M199-L400 WeakPolarHBondContact SD-CD2 3.46Å
200	A	97.7	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.8	-43.5	175	0	0	0	0	0	113.1	A196 M197 K198 S204 Y235 I621	A196-A200 PolarHBondContact O-N 2.81Å; M197-A200 PolarHBondContact O-N 3.43Å; K198-A200 VanDerWaalsContact C-N 3.32Å; K198-A200 PolarHBondContact O-N 3.18Å; A200-S204 WeakPolarHBondContact O-CB 3.35Å; A200-S204 PolarHBondContact O-N 2.82Å; A200-Y235 VanDerWaalsContact CA-CE2 3.43Å; A200-Y235 HydrophobicContact CB-CD2 3.66Å; A200-Y235 HydrophobicContact CB-CE2 3.39Å; A200-Y235 HydrophobicContact CB-CG 4.48Å; A200-I621 HydrophobicContact CB-CD1 4.02Å; A200-I621 HydrophobicContact CB-CG1 4.24Å
201	N	98.1	Very high	96.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-51	177	-175.4	177.1	0	0	0	111.1	D104 M197 K198 M199 S204 I205 P430 V431 T432 W619	D104-N201 PolarHBondContact OD1-ND2 3.37Å; D104-N201 PolarHBondContact OD1-OD1 3.04Å; D104-N201 PolarHBondContact OD2-ND2 3.46Å; D104-N201 VanDerWaalsContact OD2-ND2 3.14Å; M197-N201 WeakPolarHBondContact O-CB 3.34Å; M197-N201 PolarHBondContact O-N 2.98Å; K198-N201 PolarHBondContact O-N 3.09Å; M199-N201 VanDerWaalsContact C-N 3.35Å; M199-N201 PolarHBondContact O-N 3.24Å; N201-S204 WeakPolarHBondContact O-CB 3.42Å; N201-S204 PolarHBondContact O-N 2.84Å; N201-I205 WeakPolarHBondContact O-CG1 3.4Å; N201-I205 PolarHBondContact O-N 2.93Å; N201-P430 WeakPolarHBondContact OD1-CB 3.22Å; N201-V431 VanDerWaalsContact OD1-CG2 3.31Å; N201-V431 WeakPolarHBondContact OD1-CG2 3.35Å; N201-V431 PolarHBondContact OD1-N 2.79Å; N201-T432 HydrophobicContact CB-CG2 3.92Å; N201-T432 WeakPolarHBondContact OD1-CG2 3.48Å; N201-T432 PolarHBondContact OD1-N 2.77Å; N201-T432 PolarHBondContact OD1-OG1 2.98Å; N201-W619 HydrophobicContact CB-CD2 4.17Å; N201-W619 HydrophobicContact CB-CE3 4.41Å; N201-W619 HydrophobicContact CB-CH2 3.92Å; N201-W619 HydrophobicContact CB-CZ2 3.61Å; N201-W619 HydrophobicContact CB-CZ3 4.29Å; N201-W619 WeakPolarHBondContact OD1-CZ2 3.4Å
202	I	98.4	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-45.6	-179.3	-66.5	168	0	0	0	111	K198 M199 S204 I205 F206 F210 L400 P430 Y441 V443	K198-I202 WeakPolarHBondContact O-CB 3.33Å; K198-I202 VanDerWaalsContact O-CG1 3.3Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 3.31Å; M199-I202 PolarHBondContact O-N 3.38Å; I202-S204 PolarHBondContact O-N 2.9Å; I202-I205 WeakPolarHBondContact O-CB 3.37Å; I202-I205 PolarHBondContact O-N 2.92Å; I202-I205 VanDerWaalsContact O-N 3.1Å; I202-F206 HydrophobicContact CG2-CD2 4.23Å; I202-F206 HydrophobicContact CG2-CE2 4.17Å; I202-F206 WeakPolarHBondContact O-CD2 3.44Å; I202-F206 PolarHBondContact O-N 2.9Å; I202-F210 HydrophobicContact CG2-CE2 3.82Å; I202-F210 HydrophobicContact CG2-CZ 4.33Å; I202-L400 HydrophobicContact CD1-CD1 4.07Å; I202-L400 HydrophobicContact CD1-CD2 4.31Å; I202-L400 HydrophobicContact CG2-CD1 4.22Å; I202-L400 HydrophobicContact CG2-CD2 4.42Å; I202-P430 HydrophobicContact CD1-CG 4.21Å; I202-P430 HydrophobicContact CG1-CB 4.12Å; I202-P430 HydrophobicContact CG1-CG 4.09Å; I202-Y441 HydrophobicContact CD1-CD1 4Å; I202-Y441 HydrophobicContact CD1-CD2 3.76Å; I202-Y441 HydrophobicContact CD1-CE1 4.37Å; I202-Y441 HydrophobicContact CD1-CE2 4.17Å; I202-Y441 HydrophobicContact CD1-CG 3.69Å; I202-V443 HydrophobicContact CG2-CG2 4.34Å
203	D	98	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-34	177.4	-169.1	45.1	0	0	0	111.5	M199 F206 N207 G208 F210 T211 Y235	M199-D203 HydrophobicContact CE-CB 4.42Å; M199-D203 WeakPolarHBondContact O-CB 3.27Å; M199-D203 PolarHBondContact O-N 3.47Å; D203-F206 CarbonylContact O-C 3.59Å; D203-F206 PolarHBondContact O-N 2.98Å; D203-N207 PolarHBondContact O-N 3.29Å; D203-G208 WeakPolarHBondContact O-CA 3.15Å; D203-G208 PolarHBondContact O-N 2.8Å; D203-G208 VanDerWaalsContact OD1-CA 3.31Å; D203-G208 WeakPolarHBondContact OD1-CA 3.49Å; D203-F210 HydrophobicContact CB-CD2 4.22Å; D203-F210 WeakPolarHBondContact OD1-CB 3.37Å; D203-F210 PolarHBondContact OD1-N 2.9Å; D203-T211 PolarHBondContact OD1-N 2.87Å; D203-T211 WeakPolarHBondContact OD2-CG2 3.23Å; D203-T211 PolarHBondContact OD2-OG1 2.85Å; D203-Y235 HydrophobicContact CB-CE1 3.88Å; D203-Y235 WeakPolarHBondContact CB-OH 3.45Å; D203-Y235 PolarHBondContact OD2-OH 3.28Å
204	S	96.7	Very high	96.8	Very high	14 Å²	14	20.2 Å²	20.2	10%	0.098	11%	0.107	C	C	.	.	H	α-helix	trans	-68.2	-36.6	172.9	-172.6	0	0	0	0	113.5	A200 N201 I202 F206 N207 W619	A200-S204 WeakPolarHBondContact O-CB 3.35Å; A200-S204 PolarHBondContact O-N 2.82Å; N201-S204 WeakPolarHBondContact O-CB 3.42Å; N201-S204 PolarHBondContact O-N 2.84Å; I202-S204 PolarHBondContact O-N 2.9Å; S204-F206 PolarHBondContact O-N 2.86Å; S204-N207 PolarHBondContact O-N 2.88Å; S204-N207 VanDerWaalsContact O-N 3.15Å; S204-W619 VanDerWaalsContact CB-CD1 3.41Å
205	I	97	Very high	96.6	Very high	38 Å²	38	20 Å²	20	20%	0.195	12%	0.116	C	C	.	.	H	α-helix	trans	-58.2	-39	176.4	-67.4	166.9	0	0	0	109.9	D104 N201 I202 I428	D104-I205 HydrophobicContact CB-CD1 3.68Å; D104-I205 HydrophobicContact CB-CG1 4.25Å; N201-I205 WeakPolarHBondContact O-CG1 3.4Å; N201-I205 PolarHBondContact O-N 2.93Å; I202-I205 WeakPolarHBondContact O-CB 3.37Å; I202-I205 PolarHBondContact O-N 2.92Å; I202-I205 VanDerWaalsContact O-N 3.1Å; I205-I428 HydrophobicContact CD1-CG2 3.82Å; I205-I428 HydrophobicContact CG2-CD1 4.42Å
206	F	96.6	Very high	96	Very high	26 Å²	26	23.8 Å²	23.8	11%	0.114	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	26.9	178.1	-62.2	-79.7	0	0	0	114	I202 D203 S204 G208 M209 F210 Y426 I428 V443	I202-F206 HydrophobicContact CG2-CD2 4.23Å; I202-F206 HydrophobicContact CG2-CE2 4.17Å; I202-F206 WeakPolarHBondContact O-CD2 3.44Å; I202-F206 PolarHBondContact O-N 2.9Å; D203-F206 CarbonylContact O-C 3.59Å; D203-F206 PolarHBondContact O-N 2.98Å; S204-F206 PolarHBondContact O-N 2.86Å; F206-G208 PolarHBondContact O-N 2.68Å; F206-M209 HydrophobicContact CB-CB 3.6Å; F206-M209 HydrophobicContact CB-CE 4.1Å; F206-M209 HydrophobicContact CB-SD 4.37Å; F206-M209 HydrophobicContact CD1-CE 4.13Å; F206-M209 HydrophobicContact CD1-SD 4.4Å; F206-M209 HydrophobicContact CD2-CE 4.17Å; F206-M209 HydrophobicContact CG-CE 3.89Å; F206-M209 HydrophobicContact CG-SD 4.48Å; F206-M209 WeakPolarHBondContact O-CB 3.4Å; F206-M209 PolarHBondContact O-N 2.89Å; F206-F210 AromaticContact CD2-CE2 3.9Å; F206-F210 HydrophobicContact CD2-CE2 3.9Å; F206-F210 HydrophobicContact CE2-CE2 4.46Å; F206-Y426 AromaticContact CE1-CD1 3.89Å; F206-Y426 HydrophobicContact CE1-CD1 3.89Å; F206-Y426 AromaticContact CE1-CD2 3.79Å; F206-Y426 HydrophobicContact CE1-CD2 3.79Å; F206-Y426 AromaticContact CE1-CE1 3.85Å; F206-Y426 HydrophobicContact CE1-CE1 3.85Å; F206-Y426 AromaticContact CE1-CE2 3.79Å; F206-Y426 HydrophobicContact CE1-CE2 3.79Å; F206-Y426 AromaticContact CE1-CG 3.85Å; F206-Y426 HydrophobicContact CE1-CG 3.85Å; F206-Y426 AromaticContact CE1-CZ 3.8Å; F206-Y426 HydrophobicContact CZ-CD1 4.06Å; F206-Y426 AromaticContact CZ-CD2 3.95Å; F206-Y426 HydrophobicContact CZ-CD2 3.95Å; F206-Y426 HydrophobicContact CZ-CE1 4.47Å; F206-Y426 HydrophobicContact CZ-CE2 4.42Å; F206-Y426 AromaticContact CZ-CG 3.77Å; F206-Y426 HydrophobicContact CZ-CG 3.77Å; F206-I428 HydrophobicContact CD2-CD1 4.34Å; F206-I428 HydrophobicContact CE2-CD1 3.16Å; F206-I428 HydrophobicContact CZ-CD1 3.3Å; F206-V443 HydrophobicContact CE1-CG1 4.41Å; F206-V443 HydrophobicContact CE2-CB 4.14Å; F206-V443 HydrophobicContact CE2-CG1 3.85Å; F206-V443 HydrophobicContact CE2-CG2 3.86Å; F206-V443 HydrophobicContact CZ-CB 4.01Å; F206-V443 HydrophobicContact CZ-CG1 3.71Å; F206-V443 HydrophobicContact CZ-CG2 4.2Å
207	N	95	Very high	95.4	Very high	134 Å²	134	30 Å²	30	72%	0.717	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	35	175.2	-58.2	97.1	0	0	0	114.8	D203 S204	D203-N207 PolarHBondContact O-N 3.29Å; S204-N207 PolarHBondContact O-N 2.88Å; S204-N207 VanDerWaalsContact O-N 3.15Å
208	G	95.3	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	9.8	180	0	0	0	0	0	115	D203 F206 F210 T211 T212	D203-G208 WeakPolarHBondContact O-CA 3.15Å; D203-G208 PolarHBondContact O-N 2.8Å; D203-G208 VanDerWaalsContact OD1-CA 3.31Å; D203-G208 WeakPolarHBondContact OD1-CA 3.49Å; F206-G208 PolarHBondContact O-N 2.68Å; G208-F210 PolarHBondContact O-N 3.34Å; G208-T211 CarbonylContact O-C 3.59Å; G208-T211 PolarHBondContact O-N 2.83Å; G208-T212 PolarHBondContact O-N 3.38Å; G208-T212 PolarHBondContact O-OG1 3.38Å
209	M	96.7	Very high	95	Very high	21 Å²	21	34.6 Å²	34.6	10%	0.103	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	-42.1	-176.8	178.2	-179.4	71.9	0	0	113.5	F206 A213 V443 K445	F206-M209 HydrophobicContact CB-CB 3.6Å; F206-M209 HydrophobicContact CB-CE 4.1Å; F206-M209 HydrophobicContact CB-SD 4.37Å; F206-M209 HydrophobicContact CD1-CE 4.13Å; F206-M209 HydrophobicContact CD1-SD 4.4Å; F206-M209 HydrophobicContact CD2-CE 4.17Å; F206-M209 HydrophobicContact CG-CE 3.89Å; F206-M209 HydrophobicContact CG-SD 4.48Å; F206-M209 WeakPolarHBondContact O-CB 3.4Å; F206-M209 PolarHBondContact O-N 2.89Å; M209-A213 WeakPolarHBondContact O-CB 3.28Å; M209-A213 PolarHBondContact O-N 3.48Å; M209-V443 HydrophobicContact CE-CG1 3.79Å; M209-K445 HydrophobicContact SD-CB 4.29Å; M209-K445 HydrophobicContact SD-CD 3.93Å; M209-K445 HydrophobicContact SD-CG 3.77Å
210	F	97.8	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-46.1	-178.5	-57.8	-84.5	0	0	0	111.7	M199 I202 D203 F206 G208 T212 A213 I358 H398 L400 V443	M199-F210 HydrophobicContact CE-CB 3.57Å; M199-F210 HydrophobicContact CE-CD1 4.02Å; M199-F210 HydrophobicContact CE-CD2 3.63Å; M199-F210 HydrophobicContact CE-CE2 4.3Å; M199-F210 HydrophobicContact CE-CG 3.46Å; M199-F210 VanDerWaalsContact CE-CG 3.46Å; I202-F210 HydrophobicContact CG2-CE2 3.82Å; I202-F210 HydrophobicContact CG2-CZ 4.33Å; D203-F210 HydrophobicContact CB-CD2 4.22Å; D203-F210 WeakPolarHBondContact OD1-CB 3.37Å; D203-F210 PolarHBondContact OD1-N 2.9Å; F206-F210 AromaticContact CD2-CE2 3.9Å; F206-F210 HydrophobicContact CD2-CE2 3.9Å; F206-F210 HydrophobicContact CE2-CE2 4.46Å; G208-F210 PolarHBondContact O-N 3.34Å; F210-T212 VanDerWaalsContact C-N 3.34Å; F210-T212 PolarHBondContact O-N 2.63Å; F210-A213 WeakPolarHBondContact O-CB 3.24Å; F210-A213 PolarHBondContact O-N 3.22Å; F210-I358 HydrophobicContact CB-CD1 4.09Å; F210-I358 HydrophobicContact CB-CG2 4.21Å; F210-I358 HydrophobicContact CD1-CB 4.4Å; F210-I358 HydrophobicContact CD1-CG2 4.16Å; F210-I358 WeakPolarHBondContact O-CG2 3.45Å; F210-H398 HydrophobicContact CD1-CB 4.22Å; F210-H398 HydrophobicContact CE1-CB 4.12Å; F210-L400 HydrophobicContact CE1-CB 3.9Å; F210-L400 HydrophobicContact CZ-CB 4.14Å; F210-V443 HydrophobicContact CZ-CG1 3.81Å; F210-V443 HydrophobicContact CZ-CG2 4.14Å
211	T	96.1	Very high	95	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-10.8	-175	59.9	0	0	0	0	114	D203 G208 Y235 T236 R239 R240	D203-T211 PolarHBondContact OD1-N 2.87Å; D203-T211 WeakPolarHBondContact OD2-CG2 3.23Å; D203-T211 PolarHBondContact OD2-OG1 2.85Å; G208-T211 CarbonylContact O-C 3.59Å; G208-T211 PolarHBondContact O-N 2.83Å; T211-Y235 HydrophobicContact CG2-CE1 3.84Å; T211-T236 HydrophobicContact CG2-CG2 4.48Å; T211-R239 HydrophobicContact CG2-CB 3.91Å; T211-R239 HydrophobicContact CG2-CG 3.63Å; T211-R239 WeakPolarHBondContact OG1-CG 3.25Å; T211-R240 WeakPolarHBondContact O-CD 3.32Å; T211-R240 PolarHBondContact O-NH1 3.48Å
212	T	95.5	Very high	95.1	Very high	42 Å²	42	36.6 Å²	36.6	26%	0.258	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	10.5	172.2	67.6	0	0	0	0	113.5	G208 F210 A214	G208-T212 PolarHBondContact O-N 3.38Å; G208-T212 PolarHBondContact O-OG1 3.38Å; F210-T212 VanDerWaalsContact C-N 3.34Å; F210-T212 PolarHBondContact O-N 2.63Å; T212-A214 PolarHBondContact O-N 2.81Å; T212-A214 VanDerWaalsContact O-N 3.07Å
213	A	96.6	Very high	95.1	Very high	29 Å²	29	36.6 Å²	36.6	24%	0.24	20%	0.198	C	C	.	.	S	Bend	trans	-60.8	-18	179.6	0	0	0	0	0	114.1	M209 F210 L220 H357 I358	M209-A213 WeakPolarHBondContact O-CB 3.28Å; M209-A213 PolarHBondContact O-N 3.48Å; F210-A213 WeakPolarHBondContact O-CB 3.24Å; F210-A213 PolarHBondContact O-N 3.22Å; A213-L220 HydrophobicContact CB-CD1 3.99Å; A213-H357 HydrophobicContact CB-CB 3.87Å; A213-H357 PolarHBondContact O-CD2 3.24Å; A213-I358 HydrophobicContact CB-CG2 3.78Å
214	A	95.5	Very high	95.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	20%	0.198	C	C	.	.	S	Bend	trans	-112.4	144.2	170.2	0	0	0	0	0	110.3	T212 L220 R240	T212-A214 PolarHBondContact O-N 2.81Å; T212-A214 VanDerWaalsContact O-N 3.07Å; A214-L220 HydrophobicContact CB-CB 4.11Å; A214-L220 HydrophobicContact CB-CD1 3.98Å; A214-R240 PolarHBondContact O-NH1 2.91Å; A214-R240 PolarHBondContact O-NH2 2.79Å; A214-R240 VanDerWaalsContact O-NH2 3.1Å
215	P	91.9	Very high	95.2	Very high	78 Å²	78	36 Å²	36	51%	0.506	19%	0.193	S	C	.	.			trans	-49	145.3	170.5	-25.6	34	0	0	0	111.3	D217 D218 R240	P215-D217 PolarHBondContact O-N 3.36Å; P215-D217 VanDerWaalsContact O-N 3.13Å; P215-D218 HydrophobicContact CB-CB 4.25Å; P215-D218 HydrophobicContact CG-CB 4.47Å; P215-D218 WeakPolarHBondContact O-CB 3.19Å; P215-D218 PolarHBondContact O-N 3.19Å; P215-R240 PolarHBondContact O-NH2 3.44Å
216	K	83.9	Confident	95	Very high	89 Å²	89	35.3 Å²	35.3	39%	0.387	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.5	-170.9	-176	174.6	177.6	177.1	0	113.9	D218 T247	K216-D218 VanDerWaalsContact C-N 3.3Å; K216-T247 HydrophobicContact CB-CG2 4.09Å
217	D	83.5	Confident	94.4	Very high	129 Å²	129	34.3 Å²	34.3	69%	0.69	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-5	-178.6	-57.7	-46.5	0	0	0	113.2	P215	P215-D217 PolarHBondContact O-N 3.36Å; P215-D217 VanDerWaalsContact O-N 3.13Å
218	D	91.5	Very high	94.1	Very high	94 Å²	94	29.2 Å²	29.2	50%	0.503	17%	0.167	S	C	.	.	S	Bend	trans	-100.2	160.1	176.5	-77.4	-13.9	0	0	0	112.4	P215 K216 L220 R240	P215-D218 HydrophobicContact CB-CB 4.25Å; P215-D218 HydrophobicContact CG-CB 4.47Å; P215-D218 WeakPolarHBondContact O-CB 3.19Å; P215-D218 PolarHBondContact O-N 3.19Å; K216-D218 VanDerWaalsContact C-N 3.3Å; D218-L220 PolarHBondContact O-N 2.96Å; D218-R240 PolarHBondContact O-NH2 3.25Å
219	I	95.2	Very high	94	Very high	29 Å²	29	30.3 Å²	30.3	15%	0.149	17%	0.174	C	C	.	.			trans	-75.2	119	176.5	-57.7	173.4	0	0	0	109.8	Y221 K297 H357 N796 I797	I219-Y221 HydrophobicContact CB-CD2 4.43Å; I219-Y221 HydrophobicContact CB-CE2 3.91Å; I219-Y221 HydrophobicContact CG2-CD1 4.17Å; I219-Y221 HydrophobicContact CG2-CD2 4.26Å; I219-Y221 HydrophobicContact CG2-CE1 3.93Å; I219-Y221 HydrophobicContact CG2-CE2 4Å; I219-Y221 HydrophobicContact CG2-CG 4.35Å; I219-Y221 WeakPolarHBondContact O-CD2 3.36Å; I219-Y221 PolarHBondContact O-N 3.2Å; I219-Y221 VanDerWaalsContact O-N 3.1Å; I219-K297 HydrophobicContact CG2-CB 3.8Å; I219-H357 PolarHBondContact O-CE1 2.95Å; I219-H357 VanDerWaalsContact O-CE1 3.23Å; I219-N796 HydrophobicContact CD1-CB 4.04Å; I219-I797 HydrophobicContact CD1-CG1 3.88Å; I219-I797 HydrophobicContact CG1-CD1 4.31Å; I219-I797 HydrophobicContact CG1-CG1 4.06Å; I219-I797 HydrophobicContact CG2-CG1 4.21Å
220	L	97.7	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	98.1	166.2	179.3	68.9	0	0	0	110	A213 A214 D218 T236 R240 S295 A296 K297 H357	A213-L220 HydrophobicContact CB-CD1 3.99Å; A214-L220 HydrophobicContact CB-CB 4.11Å; A214-L220 HydrophobicContact CB-CD1 3.98Å; D218-L220 PolarHBondContact O-N 2.96Å; L220-T236 HydrophobicContact CD2-CG2 4.07Å; L220-R240 HydrophobicContact CB-CG 4.1Å; L220-R240 HydrophobicContact CD2-CB 4.29Å; L220-R240 HydrophobicContact CD2-CG 4.1Å; L220-S295 PolarHBondContact N-O 3.2Å; L220-A296 HydrophobicContact CB-CB 4.42Å; L220-A296 CarbonylContact O-C 3.55Å; L220-A296 WeakPolarHBondContact O-CA 3.46Å; L220-K297 PolarHBondContact O-N 2.85Å; L220-H357 HydrophobicContact CD1-CB 3.92Å
221	Y	98.7	Very high	93.9	Very high	43 Å²	43	29.4 Å²	29.4	17%	0.169	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.2	167.7	-62.3	-79.4	0	0	0	111.5	I219 K297 F299 T351 H357	I219-Y221 HydrophobicContact CB-CD2 4.43Å; I219-Y221 HydrophobicContact CB-CE2 3.91Å; I219-Y221 HydrophobicContact CG2-CD1 4.17Å; I219-Y221 HydrophobicContact CG2-CD2 4.26Å; I219-Y221 HydrophobicContact CG2-CE1 3.93Å; I219-Y221 HydrophobicContact CG2-CE2 4Å; I219-Y221 HydrophobicContact CG2-CG 4.35Å; I219-Y221 WeakPolarHBondContact O-CD2 3.36Å; I219-Y221 PolarHBondContact O-N 3.2Å; I219-Y221 VanDerWaalsContact O-N 3.1Å; Y221-K297 WeakPolarHBondContact CA-O 3.31Å; Y221-K297 HydrophobicContact CD1-CB 3.95Å; Y221-K297 HydrophobicContact CD1-CD 4.13Å; Y221-K297 HydrophobicContact CD1-CG 4.43Å; Y221-K297 HydrophobicContact CE1-CB 4.17Å; Y221-K297 HydrophobicContact CE1-CD 3.77Å; Y221-F299 AromaticContact CD1-CE2 4Å; Y221-F299 HydrophobicContact CD1-CE2 4Å; Y221-F299 HydrophobicContact CD1-CZ 4.01Å; Y221-T351 HydrophobicContact CD1-CG2 3.65Å; Y221-T351 HydrophobicContact CD2-CG2 4.44Å; Y221-T351 HydrophobicContact CE1-CG2 4.01Å; Y221-T351 HydrophobicContact CG-CG2 3.86Å; Y221-H357 AromaticContact CD2-CE1 3.86Å; Y221-H357 PolarHBondContact N-ND1 3.43Å; Y221-H357 VanDerWaalsContact N-ND1 3.17Å; Y221-H357 PolarHBondContact O-N 3.36Å; Y221-H357 PolarHBondContact O-ND1 3.24Å
222	F	98.8	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.9	176.6	73.2	-88.7	0	0	0	112.8	T236 L237 A296 K297 G298 F299 F322 I358 M360	F222-T236 HydrophobicContact CD1-CG2 3.76Å; F222-T236 HydrophobicContact CD2-CG2 4.28Å; F222-T236 HydrophobicContact CE1-CG2 3.92Å; F222-T236 HydrophobicContact CE2-CG2 4.43Å; F222-T236 HydrophobicContact CG-CG2 3.95Å; F222-T236 HydrophobicContact CZ-CG2 4.25Å; F222-L237 HydrophobicContact CE1-CD2 3.67Å; F222-L237 HydrophobicContact CE1-CG 3.99Å; F222-L237 HydrophobicContact CZ-CD1 4.31Å; F222-L237 HydrophobicContact CZ-CD2 3.87Å; F222-L237 HydrophobicContact CZ-CG 3.75Å; F222-A296 HydrophobicContact CE1-CB 4.24Å; F222-K297 WeakPolarHBondContact CD1-O 2.89Å; F222-K297 PolarHBondContact N-O 2.9Å; F222-G298 CarbonylContact O-C 3.54Å; F222-G298 WeakPolarHBondContact O-CA 3.48Å; F222-F299 WeakPolarHBondContact O-CD2 3.4Å; F222-F299 PolarHBondContact O-N 3.39Å; F222-F322 HydrophobicContact CE2-CD2 4.17Å; F222-F322 HydrophobicContact CE2-CE2 4.18Å; F222-F322 HydrophobicContact CZ-CD2 4.07Å; F222-I358 CarbonylContact C-O 3.56Å; F222-I358 VanDerWaalsContact CA-O 3.26Å; F222-I358 WeakPolarHBondContact CA-O 3.18Å; F222-I358 HydrophobicContact CB-CD1 3.64Å; F222-I358 HydrophobicContact CB-CG1 3.23Å; F222-I358 HydrophobicContact CG-CD1 4.45Å; F222-I358 HydrophobicContact CG-CG1 4.44Å; F222-M360 HydrophobicContact CD2-CE 3.57Å; F222-M360 HydrophobicContact CE2-CE 4.06Å; F222-M360 HydrophobicContact CG-CE 4.41Å
223	A	98.8	Very high	94.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	144.3	169.7	0	0	0	0	0	111.2	F299 F343 I347 V356 I358 L359 M360	A223-F299 CarbonylContact C-O 3.22Å; A223-F299 VanDerWaalsContact CA-O 3.26Å; A223-F299 WeakPolarHBondContact CA-O 3.35Å; A223-F343 HydrophobicContact CB-CE1 4.25Å; A223-F343 HydrophobicContact CB-CZ 4.16Å; A223-I347 HydrophobicContact CB-CD1 4.16Å; A223-V356 HydrophobicContact CB-CG1 4.17Å; A223-V356 HydrophobicContact CB-CG2 4.13Å; A223-I358 PolarHBondContact N-O 3.36Å; A223-L359 HydrophobicContact CB-CB 4.45Å; A223-L359 HydrophobicContact CB-CD1 3.85Å; A223-L359 HydrophobicContact CB-CG 3.92Å; A223-L359 WeakPolarHBondContact O-CA 3.25Å; A223-M360 PolarHBondContact O-N 2.67Å
224	D	98.4	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.7	178.3	-163.8	15.5	0	0	0	108.7	A227 S233 F299 G300 L301 F322 M360	D224-A227 HydrophobicContact CB-CB 4.18Å; D224-A227 WeakPolarHBondContact OD1-CB 3.38Å; D224-A227 WeakPolarHBondContact OD2-CB 3.35Å; D224-S233 WeakPolarHBondContact CB-OG 3.16Å; D224-S233 VanDerWaalsContact CG-OG 3.26Å; D224-S233 WeakPolarHBondContact OD2-CB 3.41Å; D224-S233 PolarHBondContact OD2-N 3.04Å; D224-S233 VanDerWaalsContact OD2-N 3.09Å; D224-S233 PolarHBondContact OD2-OG 2.96Å; D224-F299 PolarHBondContact N-O 3.08Å; D224-G300 WeakPolarHBondContact O-CA 2.9Å; D224-L301 PolarHBondContact O-N 2.73Å; D224-L301 VanDerWaalsContact O-N 3.11Å; D224-F322 HydrophobicContact CB-CE2 4.4Å; D224-M360 WeakPolarHBondContact CA-O 3.5Å; D224-M360 HydrophobicContact CB-CE 4.29Å
225	I	97.8	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149	-173.1	69.9	171.7	0	0	0	111.9	A227 L301 F343 L359 M360 A361 D362 Q385 C388	I225-A227 PolarHBondContact O-N 3.02Å; I225-A227 VanDerWaalsContact O-N 3.14Å; I225-L301 CarbonylContact C-O 3.6Å; I225-L301 VanDerWaalsContact CA-O 3.22Å; I225-L301 WeakPolarHBondContact CA-O 3.49Å; I225-L301 HydrophobicContact CB-CB 4.5Å; I225-L301 HydrophobicContact CG2-CB 4.05Å; I225-F343 HydrophobicContact CG2-CE1 3.89Å; I225-F343 HydrophobicContact CG2-CZ 4.23Å; I225-L359 HydrophobicContact CD1-CD2 3.84Å; I225-L359 HydrophobicContact CG1-CD2 4.09Å; I225-M360 PolarHBondContact N-O 2.93Å; I225-A361 HydrophobicContact CD1-CB 4.01Å; I225-A361 HydrophobicContact CG1-CB 3.48Å; I225-A361 VanDerWaalsContact CG1-CB 3.48Å; I225-A361 WeakPolarHBondContact O-CA 3.3Å; I225-D362 PolarHBondContact O-N 3.48Å; I225-Q385 HydrophobicContact CD1-CB 4.12Å; I225-Q385 HydrophobicContact CD1-CG 4.06Å; I225-C388 HydrophobicContact CD1-CB 3.65Å
226	C	93.3	Very high	94.5	Very high	25 Å²	25	22.3 Å²	22.3	17%	0.169	12%	0.122	C	C	.	.	S	Bend	trans	53	33.7	-175.9	-53.2	0	0	0	0	112.4	L301 D362 G363	C226-L301 PolarHBondContact N-O 2.66Å; C226-D362 CarbonylContact O-C 3.51Å; C226-G363 VanDerWaalsContact CB-CA 3.48Å
227	A	84.7	Confident	95	Very high	5 Å²	5	18 Å²	18	4%	0.041	10%	0.104	C	C	.	.			trans	-115.5	10.1	-157.9	0	0	0	0	0	114.8	D224 I225 G230 F309	D224-A227 HydrophobicContact CB-CB 4.18Å; D224-A227 WeakPolarHBondContact OD1-CB 3.38Å; D224-A227 WeakPolarHBondContact OD2-CB 3.35Å; I225-A227 PolarHBondContact O-N 3.02Å; I225-A227 VanDerWaalsContact O-N 3.14Å; A227-G230 WeakPolarHBondContact O-CA 3.28Å; A227-G230 PolarHBondContact O-N 3.01Å; A227-F309 HydrophobicContact CB-CE1 4.02Å; A227-F309 HydrophobicContact CB-CZ 4.24Å
228	G	87.9	Confident	95.6	Very high	27 Å²	27	12.2 Å²	12.2	28%	0.278	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	127.3	175.4	0	0	0	0	0	111	T302 C307	G228-T302 PolarHBondContact N-OG1 3.35Å; G228-C307 VanDerWaalsContact CA-O 3.3Å; G228-C307 WeakPolarHBondContact CA-O 3.45Å
229	P	94.6	Very high	95.7	Very high	23 Å²	23	7.9 Å²	7.9	15%	0.149	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.7	0.1	18.6	37.2	-39.5	0	0	0	117.6	M192 N193 D308 R310	M192-P229 HydrophobicContact SD-CB 3.96Å; M192-P229 HydrophobicContact SD-CG 3.82Å; N193-P229 WeakPolarHBondContact ND2-CD 3.34Å; N193-P229 VanDerWaalsContact ND2-CG 3.31Å; N193-P229 WeakPolarHBondContact ND2-CG 3.31Å; P229-D308 WeakPolarHBondContact CA-O 3.46Å; P229-R310 HydrophobicContact CB-CB 4.08Å; P229-R310 HydrophobicContact CB-CG 3.98Å; P229-R310 PolarHBondContact O-N 3.03Å
230	G	95.6	Very high	95.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.1	29.4	176.2	0	0	0	0	0	115.8	A227 S233 E234 F314	A227-G230 WeakPolarHBondContact O-CA 3.28Å; A227-G230 PolarHBondContact O-N 3.01Å; G230-S233 WeakPolarHBondContact O-CB 3.46Å; G230-S233 PolarHBondContact O-N 3.38Å; G230-E234 PolarHBondContact O-N 3.35Å; G230-F314 WeakPolarHBondContact O-CZ 3.47Å
231	G	96.3	Very high	95.2	Very high	2 Å²	2	7.3 Å²	7.3	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-63.3	-43.4	-177.3	0	0	0	0	0	114.3	N193 A196 S233 E234 Y235	N193-G231 WeakPolarHBondContact OD1-CA 3.31Å; A196-G231 WeakPolarHBondContact CA-O 3.31Å; A196-G231 WeakPolarHBondContact CB-O 3.28Å; G231-S233 VanDerWaalsContact C-N 3.35Å; G231-E234 PolarHBondContact O-N 3.42Å; G231-Y235 PolarHBondContact O-N 3.03Å; G231-Y235 VanDerWaalsContact O-N 3.09Å
232	F	97.6	Very high	94.6	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.009	5%	0.048	C	C	.	.	H	α-helix	trans	-63.2	-42.7	177	-71.6	-3.8	0	0	0	111.5	A195 K198 M199 Y235 T236 M360 D362 L400 Y441	A195-F232 HydrophobicContact CB-CD1 4.06Å; A195-F232 HydrophobicContact CB-CE1 3.91Å; A195-F232 VanDerWaalsContact O-CD1 3.26Å; A195-F232 WeakPolarHBondContact O-CD1 3.5Å; A195-F232 WeakPolarHBondContact O-CE1 3.35Å; K198-F232 HydrophobicContact CB-CE1 4.33Å; M199-F232 HydrophobicContact CB-CD1 3.61Å; M199-F232 HydrophobicContact CB-CE1 4.03Å; M199-F232 HydrophobicContact CB-CG 4.21Å; M199-F232 HydrophobicContact CG-CD1 4.38Å; F232-Y235 PolarHBondContact O-N 3.32Å; F232-T236 WeakPolarHBondContact O-CB 3.47Å; F232-T236 PolarHBondContact O-N 2.84Å; F232-T236 PolarHBondContact O-OG1 3.16Å; F232-M360 HydrophobicContact CB-CE 4.14Å; F232-M360 HydrophobicContact CB-SD 4.08Å; F232-M360 HydrophobicContact CD2-CB 3.86Å; F232-D362 HydrophobicContact CD2-CB 4.09Å; F232-D362 HydrophobicContact CE2-CB 3.63Å; F232-D362 HydrophobicContact CZ-CB 4.02Å; F232-D362 WeakPolarHBondContact CZ-OD1 3.36Å; F232-L400 HydrophobicContact CE2-CD2 4.38Å; F232-Y441 AromaticContact CZ-CE1 3.95Å; F232-Y441 HydrophobicContact CZ-CE1 3.95Å
233	S	98	Very high	93.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.8	-48.1	172.7	-65.5	0	0	0	0	113	D224 G230 G231 Y235 T236 L237 F322	D224-S233 WeakPolarHBondContact CB-OG 3.16Å; D224-S233 VanDerWaalsContact CG-OG 3.26Å; D224-S233 WeakPolarHBondContact OD2-CB 3.41Å; D224-S233 PolarHBondContact OD2-N 3.04Å; D224-S233 VanDerWaalsContact OD2-N 3.09Å; D224-S233 PolarHBondContact OD2-OG 2.96Å; G230-S233 WeakPolarHBondContact O-CB 3.46Å; G230-S233 PolarHBondContact O-N 3.38Å; G231-S233 VanDerWaalsContact C-N 3.35Å; S233-Y235 VanDerWaalsContact C-N 3.35Å; S233-Y235 PolarHBondContact O-N 2.94Å; S233-T236 PolarHBondContact O-N 3.22Å; S233-L237 WeakPolarHBondContact O-CB 3.3Å; S233-L237 WeakPolarHBondContact O-CD1 3.48Å; S233-L237 WeakPolarHBondContact O-CG 3.32Å; S233-L237 PolarHBondContact O-N 2.92Å; S233-F322 WeakPolarHBondContact OG-CE2 3.39Å
234	E	96.7	Very high	92	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.7	-44.6	179.3	-170.2	-173.8	-159.1	0	0	111.6	F191 M192 G230 G231 W238 F314 L315 A316	F191-E234 WeakPolarHBondContact CA-OE2 3.5Å; F191-E234 WeakPolarHBondContact CB-OE2 3.49Å; F191-E234 HydrophobicContact CD1-CG 4.03Å; M192-E234 WeakPolarHBondContact CB-OE2 3.06Å; M192-E234 HydrophobicContact CE-CB 4.03Å; M192-E234 HydrophobicContact CE-CG 4.39Å; M192-E234 WeakPolarHBondContact CG-OE2 3.41Å; M192-E234 PolarHBondContact N-OE2 3.39Å; G230-E234 PolarHBondContact O-N 3.35Å; G231-E234 PolarHBondContact O-N 3.42Å; E234-W238 VanDerWaalsContact O-CB 3.29Å; E234-W238 WeakPolarHBondContact O-CB 3.45Å; E234-W238 PolarHBondContact O-N 3.25Å; E234-F314 HydrophobicContact CB-CD2 4.26Å; E234-F314 HydrophobicContact CB-CG 4.31Å; E234-F314 HydrophobicContact CG-CB 4.36Å; E234-F314 HydrophobicContact CG-CG 4.46Å; E234-L315 PolarHBondContact OE1-N 3.5Å; E234-A316 HydrophobicContact CG-CB 4Å; E234-A316 PolarHBondContact OE1-N 2.93Å
235	Y	97.3	Very high	90.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.2	-51	174.3	167.5	-98.9	0	0	0	111.6	F191 M199 A200 D203 T211 G231 F232 S233 L237 W238 R239 I621	F191-Y235 HydrophobicContact CE1-CD2 4.41Å; F191-Y235 HydrophobicContact CE2-CD2 4.3Å; F191-Y235 AromaticContact CZ-CD2 3.81Å; F191-Y235 HydrophobicContact CZ-CD2 3.81Å; M199-Y235 HydrophobicContact CB-CD1 3.72Å; M199-Y235 HydrophobicContact CB-CE1 4.37Å; M199-Y235 HydrophobicContact CB-CG 4.12Å; M199-Y235 HydrophobicContact CG-CD1 3.26Å; M199-Y235 HydrophobicContact CG-CE1 3.75Å; M199-Y235 HydrophobicContact CG-CG 4.14Å; A200-Y235 VanDerWaalsContact CA-CE2 3.43Å; A200-Y235 HydrophobicContact CB-CD2 3.66Å; A200-Y235 HydrophobicContact CB-CE2 3.39Å; A200-Y235 HydrophobicContact CB-CG 4.48Å; D203-Y235 HydrophobicContact CB-CE1 3.88Å; D203-Y235 WeakPolarHBondContact CB-OH 3.45Å; D203-Y235 PolarHBondContact OD2-OH 3.28Å; T211-Y235 HydrophobicContact CG2-CE1 3.84Å; G231-Y235 PolarHBondContact O-N 3.03Å; G231-Y235 VanDerWaalsContact O-N 3.09Å; F232-Y235 PolarHBondContact O-N 3.32Å; S233-Y235 VanDerWaalsContact C-N 3.35Å; S233-Y235 PolarHBondContact O-N 2.94Å; Y235-L237 VanDerWaalsContact C-N 3.34Å; Y235-L237 PolarHBondContact O-N 3.45Å; Y235-W238 HydrophobicContact CD2-CE3 4.25Å; Y235-W238 HydrophobicContact CD2-CZ3 4.47Å; Y235-W238 HydrophobicContact CE2-CE3 4.34Å; Y235-W238 HydrophobicContact CE2-CZ3 4.21Å; Y235-W238 PolarHBondContact O-N 3.09Å; Y235-R239 HydrophobicContact CE1-CB 4.24Å; Y235-R239 HydrophobicContact CE2-CB 3.99Å; Y235-R239 HydrophobicContact CE2-CG 4.47Å; Y235-R239 VanDerWaalsContact O-CB 3.31Å; Y235-R239 WeakPolarHBondContact O-CB 3.35Å; Y235-R239 PolarHBondContact O-N 3.5Å; Y235-R239 PolarHBondContact OH-NE 2.69Å; Y235-R239 PolarHBondContact OH-NH2 3.25Å; Y235-I621 HydrophobicContact CE2-CD1 4.22Å
236	T	97.4	Very high	88	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61	-45.4	-174.9	-59.6	0	0	0	0	111	T211 L220 F222 F232 S233 R240 I358 M360	T211-T236 HydrophobicContact CG2-CG2 4.48Å; L220-T236 HydrophobicContact CD2-CG2 4.07Å; F222-T236 HydrophobicContact CD1-CG2 3.76Å; F222-T236 HydrophobicContact CD2-CG2 4.28Å; F222-T236 HydrophobicContact CE1-CG2 3.92Å; F222-T236 HydrophobicContact CE2-CG2 4.43Å; F222-T236 HydrophobicContact CG-CG2 3.95Å; F222-T236 HydrophobicContact CZ-CG2 4.25Å; F232-T236 WeakPolarHBondContact O-CB 3.47Å; F232-T236 PolarHBondContact O-N 2.84Å; F232-T236 PolarHBondContact O-OG1 3.16Å; S233-T236 PolarHBondContact O-N 3.22Å; T236-R240 VanDerWaalsContact O-CB 3.26Å; T236-R240 WeakPolarHBondContact O-CB 3.27Å; T236-R240 PolarHBondContact O-N 2.83Å; T236-I358 HydrophobicContact CG2-CD1 3.95Å; T236-M360 WeakPolarHBondContact OG1-CE 3.42Å
237	L	96.2	Very high	85.7	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.4	-47.3	176.5	-69.8	167.5	0	0	0	111.6	F222 S233 Y235 C241 A296 F314 A321 F322	F222-L237 HydrophobicContact CE1-CD2 3.67Å; F222-L237 HydrophobicContact CE1-CG 3.99Å; F222-L237 HydrophobicContact CZ-CD1 4.31Å; F222-L237 HydrophobicContact CZ-CD2 3.87Å; F222-L237 HydrophobicContact CZ-CG 3.75Å; S233-L237 WeakPolarHBondContact O-CB 3.3Å; S233-L237 WeakPolarHBondContact O-CD1 3.48Å; S233-L237 WeakPolarHBondContact O-CG 3.32Å; S233-L237 PolarHBondContact O-N 2.92Å; Y235-L237 VanDerWaalsContact C-N 3.34Å; Y235-L237 PolarHBondContact O-N 3.45Å; L237-C241 PolarHBondContact O-N 2.8Å; L237-C241 PolarHBondContact O-SG 3.46Å; L237-A296 HydrophobicContact CD2-CB 3.95Å; L237-F314 HydrophobicContact CD1-CD2 3.83Å; L237-F314 HydrophobicContact CD1-CE2 3.99Å; L237-A321 HydrophobicContact CD2-CB 3.81Å; L237-F322 HydrophobicContact CD1-CB 4.05Å
238	W	94.5	Very high	83.5	Confident	7 Å²	7	29 Å²	29	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-50.6	178.1	170.7	80	0	0	0	111.6	I190 F191 E234 Y235 R240 C241 N242 A316 I621 P622 W631	I190-W238 HydrophobicContact CD1-CD2 4.2Å; I190-W238 HydrophobicContact CD1-CZ2 3.89Å; F191-W238 HydrophobicContact CE1-CB 4.03Å; F191-W238 HydrophobicContact CE1-CD2 4.02Å; F191-W238 AromaticContact CE1-CE3 3.95Å; F191-W238 HydrophobicContact CE1-CE3 3.95Å; F191-W238 HydrophobicContact CE1-CG 4.06Å; F191-W238 AromaticContact CZ-CD2 3.99Å; F191-W238 HydrophobicContact CZ-CD2 3.99Å; F191-W238 AromaticContact CZ-CE3 3.57Å; F191-W238 HydrophobicContact CZ-CE3 3.57Å; F191-W238 AromaticContact CZ-CZ3 3.99Å; F191-W238 HydrophobicContact CZ-CZ3 3.99Å; E234-W238 VanDerWaalsContact O-CB 3.29Å; E234-W238 WeakPolarHBondContact O-CB 3.45Å; E234-W238 PolarHBondContact O-N 3.25Å; Y235-W238 HydrophobicContact CD2-CE3 4.25Å; Y235-W238 HydrophobicContact CD2-CZ3 4.47Å; Y235-W238 HydrophobicContact CE2-CE3 4.34Å; Y235-W238 HydrophobicContact CE2-CZ3 4.21Å; Y235-W238 PolarHBondContact O-N 3.09Å; W238-R240 PolarHBondContact O-N 3.43Å; W238-C241 PolarHBondContact O-N 3.45Å; W238-N242 WeakPolarHBondContact O-CB 3.41Å; W238-N242 PolarHBondContact O-N 2.94Å; W238-N242 PolarHBondContact O-ND2 3.38Å; W238-A316 HydrophobicContact CB-CB 4.07Å; W238-A316 VanDerWaalsContact CD1-O 3.24Å; W238-A316 HydrophobicContact CG-CB 4.08Å; W238-I621 HydrophobicContact CE3-CD1 4.33Å; W238-I621 HydrophobicContact CH2-CD1 3.52Å; W238-I621 HydrophobicContact CZ3-CD1 3.29Å; W238-P622 HydrophobicContact CZ2-CG 4.07Å; W238-W631 AromaticContact CD1-CD1 3.87Å; W238-W631 AromaticContact CD1-CD2 3.87Å; W238-W631 AromaticContact CD1-CE2 3.89Å; W238-W631 AromaticContact CD1-CG 3.91Å; W238-W631 AromaticContact CD1-NE1 3.82Å; W238-W631 HydrophobicContact CZ2-CZ2 4.44Å; W238-W631 AromaticContact NE1-CD1 3.87Å; W238-W631 AromaticContact NE1-CD2 3.6Å; W238-W631 AromaticContact NE1-CE2 3.19Å; W238-W631 AromaticContact NE1-CZ2 3.54Å; W238-W631 AromaticContact NE1-NE1 3.34Å
239	R	94.9	Very high	80.8	Confident	2 Å²	2	32.7 Å²	32.7	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-46	-177.1	175.1	64.3	73.4	-161	5.3	110.7	T211 Y235 C241 N242 A243 W619 K620 I621	T211-R239 HydrophobicContact CG2-CB 3.91Å; T211-R239 HydrophobicContact CG2-CG 3.63Å; T211-R239 WeakPolarHBondContact OG1-CG 3.25Å; Y235-R239 HydrophobicContact CE1-CB 4.24Å; Y235-R239 HydrophobicContact CE2-CB 3.99Å; Y235-R239 HydrophobicContact CE2-CG 4.47Å; Y235-R239 VanDerWaalsContact O-CB 3.31Å; Y235-R239 WeakPolarHBondContact O-CB 3.35Å; Y235-R239 PolarHBondContact O-N 3.5Å; Y235-R239 PolarHBondContact OH-NE 2.69Å; Y235-R239 PolarHBondContact OH-NH2 3.25Å; R239-C241 VanDerWaalsContact C-N 3.28Å; R239-C241 PolarHBondContact O-N 2.98Å; R239-N242 CarbonylContact O-C 3.49Å; R239-N242 VanDerWaalsContact O-C 3.23Å; R239-N242 PolarHBondContact O-N 3.24Å; R239-N242 VanDerWaalsContact O-N 3.1Å; R239-A243 WeakPolarHBondContact O-CA 3.42Å; R239-A243 PolarHBondContact O-N 3.07Å; R239-W619 PolarHBondContact NH2-O 2.7Å; R239-K620 PolarHBondContact NH1-O 2.77Å; R239-I621 VanDerWaalsContact NH2-CD1 3.3Å
240	R	93	Very high	77.7	Confident	12 Å²	12	36.1 Å²	36.1	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-36.4	-179	-173.8	56.8	175.8	-163.6	2.8	111.8	T211 A214 P215 D218 L220 T236 W238 N242 S295 A296	T211-R240 WeakPolarHBondContact O-CD 3.32Å; T211-R240 PolarHBondContact O-NH1 3.48Å; A214-R240 PolarHBondContact O-NH1 2.91Å; A214-R240 PolarHBondContact O-NH2 2.79Å; A214-R240 VanDerWaalsContact O-NH2 3.1Å; P215-R240 PolarHBondContact O-NH2 3.44Å; D218-R240 PolarHBondContact O-NH2 3.25Å; L220-R240 HydrophobicContact CB-CG 4.1Å; L220-R240 HydrophobicContact CD2-CB 4.29Å; L220-R240 HydrophobicContact CD2-CG 4.1Å; T236-R240 VanDerWaalsContact O-CB 3.26Å; T236-R240 WeakPolarHBondContact O-CB 3.27Å; T236-R240 PolarHBondContact O-N 2.83Å; W238-R240 PolarHBondContact O-N 3.43Å; R240-N242 VanDerWaalsContact C-N 3.34Å; R240-S295 WeakPolarHBondContact CG-O 3.46Å; R240-S295 WeakPolarHBondContact CG-OG 3.47Å; R240-S295 PolarHBondContact NE-O 2.85Å; R240-S295 PolarHBondContact O-OG 3.29Å; R240-A296 HydrophobicContact CB-CB 3.95Å; R240-A296 HydrophobicContact CG-CB 3.82Å
241	C	89.2	Confident	74.4	Confident	5 Å²	5	43.6 Å²	43.6	3%	0.034	24%	0.242	C	C	.	.	H	α-helix	trans	-74.8	-21.6	175.1	-61.6	0	0	0	0	113.7	L237 W238 R239 P292 L293 Y775	L237-C241 PolarHBondContact O-N 2.8Å; L237-C241 PolarHBondContact O-SG 3.46Å; W238-C241 PolarHBondContact O-N 3.45Å; R239-C241 VanDerWaalsContact C-N 3.28Å; R239-C241 PolarHBondContact O-N 2.98Å; C241-P292 WeakPolarHBondContact O-CA 3.48Å; C241-L293 WeakPolarHBondContact CA-O 3.38Å; C241-L293 PolarHBondContact O-N 3.07Å; C241-Y775 HydrophobicContact CB-CD1 4.44Å; C241-Y775 HydrophobicContact CB-CE1 3.96Å
242	N	86.3	Confident	71.2	Confident	42 Å²	42	49.3 Å²	49.3	23%	0.225	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	34.6	-175.5	-59.3	-91.9	0	0	0	111.4	W238 R239 R240 P244 W631	W238-N242 WeakPolarHBondContact O-CB 3.41Å; W238-N242 PolarHBondContact O-N 2.94Å; W238-N242 PolarHBondContact O-ND2 3.38Å; R239-N242 CarbonylContact O-C 3.49Å; R239-N242 VanDerWaalsContact O-C 3.23Å; R239-N242 PolarHBondContact O-N 3.24Å; R239-N242 VanDerWaalsContact O-N 3.1Å; R240-N242 VanDerWaalsContact C-N 3.34Å; N242-P244 VanDerWaalsContact O-CD 3.32Å; N242-P244 WeakPolarHBondContact O-CD 3.31Å; N242-W631 PolarHBondContact OD1-NE1 3.07Å
243	A	73.4	Confident	67.8	Low	21 Å²	21	55.9 Å²	55.9	17%	0.174	32%	0.317	C	S	.	.			trans	-62.7	120.7	-164.8	0	0	0	0	0	112.3	R239 Q290	R239-A243 WeakPolarHBondContact O-CA 3.42Å; R239-A243 PolarHBondContact O-N 3.07Å; A243-Q290 PolarHBondContact O-OE1 3.1Å
244	P	69	Low	64.4	Low	40 Å²	40	63.4 Å²	63.4	26%	0.26	36%	0.357	S	S	.	.			trans	-98	5.6	178.4	41.2	-38.4	0	0	0	113.1	N242 K620	N242-P244 VanDerWaalsContact O-CD 3.32Å; N242-P244 WeakPolarHBondContact O-CD 3.31Å; P244-K620 HydrophobicContact CB-CB 4.37Å; P244-K620 HydrophobicContact CB-CD 3.6Å; P244-K620 HydrophobicContact CG-CB 3.89Å; P244-K620 HydrophobicContact CG-CD 3.43Å; P244-K620 VanDerWaalsContact CG-CD 3.43Å; P244-K620 HydrophobicContact CG-CG 4.33Å; P244-K620 PolarHBondContact O-NZ 2.93Å
245	Y	58.5	Low	61	Low	36 Å²	36	69 Å²	69	14%	0.141	40%	0.396	C	S	.	.	S	Bend	trans	-101.4	130.4	-179.6	-57.7	-68.2	0	0	0	109	K620	Y245-K620 HydrophobicContact CE1-CD 3.91Å
246	H	53.3	Low	57.6	Low	150 Å²	150	74.2 Å²	74.2	69%	0.694	43%	0.429	S	S	*	.			trans	-76.9	127	172.5	-67.9	-71.8	0	0	0	108.7	H248	H246-H248 PolarHBondContact O-N 3.15Å; H246-H248 VanDerWaalsContact O-N 3.1Å
247	T	45.4	Very low	54.2	Low	62 Å²	62	81.1 Å²	81.1	38%	0.38	47%	0.466	S	S	.	.			trans	-67.7	106.9	169.9	48.3	0	0	0	0	108	K216 S249	K216-T247 HydrophobicContact CB-CG2 4.09Å; T247-S249 PolarHBondContact O-N 2.84Å
248	H	38.8	Very low	51	Low	177 Å²	177	90.1 Å²	90.1	82%	0.819	51%	0.508	S	S	*	.			trans	-65.2	106	163.9	-74	-66.9	0	0	0	107.2	H246 S250	H246-H248 PolarHBondContact O-N 3.15Å; H246-H248 VanDerWaalsContact O-N 3.1Å; H248-S250 VanDerWaalsContact C-N 3.29Å; H248-S250 PolarHBondContact O-N 3.36Å
249	S	30.3	Very low	47.5	Very low	105 Å²	105	98.5 Å²	98.5	73%	0.734	55%	0.547	S	S	*	.			trans	-68	95.1	166.2	61.9	0	0	0	0	107.3	T247 N251	T247-S249 PolarHBondContact O-N 2.84Å; S249-N251 PolarHBondContact O-N 3.28Å
250	S	29.7	Very low	44.4	Very low	96 Å²	96	103.9 Å²	103.9	67%	0.671	59%	0.585	S	S	*	*			trans	-70.6	80.3	169.5	39.6	0	0	0	0	109.5	H248 T252	H248-S250 VanDerWaalsContact C-N 3.29Å; H248-S250 PolarHBondContact O-N 3.36Å; S250-T252 PolarHBondContact O-N 2.93Å
251	N	26	Very low	41	Very low	156 Å²	156	110.5 Å²	110.5	83%	0.834	62%	0.621	S	S	*	*			trans	-81.3	77.4	148.3	-86.1	-11.6	0	0	0	107.3	S249 T253	S249-N251 PolarHBondContact O-N 3.28Å; N251-T253 PolarHBondContact O-N 3Å
252	T	29.3	Very low	38.1	Very low	123 Å²	123	118.5 Å²	118.5	76%	0.755	66%	0.662	S	S	*	*			trans	-81.6	100.2	166.5	11.4	0	0	0	0	108.5	S250	S250-T252 PolarHBondContact O-N 2.93Å
253	T	25.9	Very low	35.2	Very low	140 Å²	140	123.3 Å²	123.3	86%	0.859	69%	0.688	S	S	*	*			trans	-81.7	123.4	141.6	1.7	0	0	0	0	106.6	N251	N251-T253 PolarHBondContact O-N 3Å
254	L	26.5	Very low	33	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	71%	0.713	S	S	*	*			trans	-52.6	137.5	179.3	-74	135.8	0	0	0	112.6
255	S	25.4	Very low	31	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	74%	0.736	S	S	*	*			trans	-157	117.2	143.4	-70.9	0	0	0	0	108.7
256	P	26.9	Very low	29.5	Very low	108 Å²	108	140.4 Å²	140.4	70%	0.701	77%	0.767	S	S	*	*			trans	-88.4	136.7	173.7	34	-27.9	0	0	0	109.9
257	N	24.9	Very low	28.1	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	77%	0.768	S	S	*	*			trans	147.8	102.3	145.8	-76.3	-20.1	0	0	0	111.6
258	H	29	Very low	27.1	Very low	188 Å²	188	144.2 Å²	144.2	87%	0.87	79%	0.785	S	S	*	*				-178.2	119.9	111.1	-104	-57.8	0	0	0	111.3
259	H	22.2	Very low	26.4	Very low	184 Å²	184	142.5 Å²	142.5	85%	0.852	78%	0.781	S	S	*	*			trans	-67	133.7	158	-83.4	-75.5	0	0	0	110.4
260	S	28.7	Very low	26.3	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	79%	0.79	S	S	*	*				-171.7	127	128.5	55.4	0	0	0	0	111.7
261	N	22.1	Very low	26	Very low	151 Å²	151	148.8 Å²	148.8	81%	0.807	80%	0.801	S	S	*	*			trans	-49	154.3	167.8	-67.9	-32.4	0	0	0	113.7
262	I	29.4	Very low	26.1	Very low	174 Å²	174	151 Å²	151	89%	0.892	81%	0.806	S	S	*	*				-169.9	135.2	124.3	-89	147.1	0	0	0	109.6
263	N	24.9	Very low	25.9	Very low	143 Å²	143	149.7 Å²	149.7	77%	0.765	80%	0.803	S	S	*	*			trans	-77.8	160.7	178.5	-79.6	-18.6	0	0	0	114.2
264	D	26.4	Very low	25.9	Very low	131 Å²	131	150 Å²	150	70%	0.701	80%	0.797	S	S	*	*			trans	84	122.5	137.5	-82.9	-2.1	0	0	0	123.2
265	K	27	Very low	25.9	Very low	173 Å²	173	149.3 Å²	149.3	75%	0.752	80%	0.795	S	S	*	*				104.1	118.4	125.2	-85.6	175.6	177.3	178.9	0	122.1
266	L	26.7	Very low	26	Very low	151 Å²	151	150.9 Å²	150.9	79%	0.791	79%	0.789	S	S	*	*				97.4	149.1	123.5	-84.8	158.5	0	0	0	122.2
267	L	23.9	Very low	25.9	Very low	137 Å²	137	152.6 Å²	152.6	72%	0.717	79%	0.792	S	S	*	*			trans	-85.2	160.8	-162	-85.8	135.4	0	0	0	116.2
268	E	24.8	Very low	26	Very low	156 Å²	156	150.8 Å²	150.8	73%	0.729	79%	0.791	S	S	*	*			trans	83.6	120	139.9	-85	171	-177.5	0	0	123.8
269	D	24.3	Very low	25.8	Very low	140 Å²	140	148.1 Å²	148.1	75%	0.749	79%	0.79	S	S	*	*			trans	69.8	121.7	130.4	-68.4	-3.6	0	0	0	124
270	T	28.6	Very low	26	Very low	149 Å²	149	144.5 Å²	144.5	91%	0.914	78%	0.781	S	S	*	*				-161.2	135.3	126.7	-7	0	0	0	0	112.7
271	M	23	Very low	25.7	Very low	185 Å²	185	147 Å²	147	91%	0.911	79%	0.785	S	S	*	*			trans	-87.6	145.6	167.5	-64.7	-175.1	92.2	0	0	111
272	E	27.8	Very low	25.8	Very low	201 Å²	201	145.8 Å²	145.8	94%	0.939	78%	0.779	S	S	*	*			trans	-157.9	158	147.6	-120.3	176.6	-162.9	0	0	111.2
273	S	25.1	Very low	25.6	Very low	97 Å²	97	144.2 Å²	144.2	68%	0.678	78%	0.778	S	S	*	*			trans	-123.1	148.5	-147.6	59.9	0	0	0	0	115.3
274	I	26.6	Very low	25.5	Very low	145 Å²	145	141.9 Å²	141.9	74%	0.744	77%	0.773	S	S	*	*			trans	76.5	116.3	147.6	-59	155.2	0	0	0	119.6
275	D	27	Very low	25.6	Very low	145 Å²	145	142 Å²	142	78%	0.775	78%	0.779	S	S	*	*				-163.8	165.1	117	-116.9	-19.3	0	0	0	115.5
276	H	27	Very low	25.6	Very low	151 Å²	151	139.7 Å²	139.7	70%	0.699	78%	0.779	S	S	*	*			trans	-67.7	152.2	-148.9	-80	-75.1	0	0	0	123.9
277	N	24.7	Very low	25.8	Very low	143 Å²	143	137.2 Å²	137.2	77%	0.765	77%	0.774	S	S	*	*			trans	63.2	106.9	139.1	-69.6	-13.5	0	0	0	121.9
278	S	27.1	Very low	26.5	Very low	108 Å²	108	139 Å²	139	76%	0.755	78%	0.779	S	S	*	*			trans	-163.2	147.3	136.8	-82.5	0	0	0	0	111.1	T280	S278-T280 PolarHBondContact O-N 3.33Å; S278-T280 VanDerWaalsContact O-N 3.16Å
279	P	24.5	Very low	27.3	Very low	132 Å²	132	140.2 Å²	140.2	86%	0.857	78%	0.782	S	S	*	*			trans	-84.5	95.3	-168.1	33.6	-30.8	0	0	0	110.4	N281	P279-N281 PolarHBondContact O-N 3.25Å
280	T	25.7	Very low	28.7	Very low	109 Å²	109	138.5 Å²	138.5	67%	0.669	77%	0.769	S	S	*	*			trans	-91.8	104.3	174.4	53.5	0	0	0	0	110.6	S278 N282	S278-T280 PolarHBondContact O-N 3.33Å; S278-T280 VanDerWaalsContact O-N 3.16Å; T280-N282 PolarHBondContact O-N 3.41Å
281	N	24.3	Very low	30.4	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	75%	0.746	S	S	*	*			trans	-50	86.5	141.6	-83	-24.2	0	0	0	108.7	P279	P279-N281 PolarHBondContact O-N 3.25Å
282	N	23.3	Very low	32.5	Very low	126 Å²	126	128.2 Å²	128.2	67%	0.674	71%	0.711	S	S	*	*			trans	-136.2	80.6	163.6	-88.3	-21.2	0	0	0	105.8	T280 S284	T280-N282 PolarHBondContact O-N 3.41Å; N282-S284 PolarHBondContact O-N 2.93Å
283	T	24.9	Very low	35	Very low	142 Å²	142	120.3 Å²	120.3	87%	0.871	68%	0.675	S	S	*	*			trans	-62.5	79.3	146.2	42.6	0	0	0	0	106.3	T285	T283-T285 PolarHBondContact O-N 3Å
284	S	23.9	Very low	38	Very low	94 Å²	94	116 Å²	116	66%	0.657	65%	0.645	S	S	*	*			trans	-50.6	110.9	158.6	50.7	0	0	0	0	105.5	N282 T286	N282-S284 PolarHBondContact O-N 2.93Å; S284-T286 PolarHBondContact O-N 3.27Å
285	T	26.9	Very low	41.2	Very low	134 Å²	134	109.6 Å²	109.6	82%	0.822	61%	0.612	S	S	*	*			trans	-46.7	93.9	162.5	37.5	0	0	0	0	106.7	T283 S287	T283-T285 PolarHBondContact O-N 3Å; T285-S287 VanDerWaalsContact C-N 3.3Å; T285-S287 PolarHBondContact O-N 3.27Å
286	T	26.9	Very low	44.4	Very low	123 Å²	123	102.7 Å²	102.7	76%	0.755	58%	0.576	S	S	*	*			trans	-48.2	108.1	161.5	40.3	0	0	0	0	104.4	S284 E288	S284-T286 PolarHBondContact O-N 3.27Å; T286-E288 PolarHBondContact O-N 2.65Å
287	S	31.7	Very low	47.8	Very low	100 Å²	100	95.9 Å²	95.9	70%	0.699	54%	0.544	S	S	*	.			trans	-16.3	108	172.1	52.7	0	0	0	0	109.1	T285 K289	T285-S287 VanDerWaalsContact C-N 3.3Å; T285-S287 PolarHBondContact O-N 3.27Å; S287-K289 PolarHBondContact O-N 3.11Å
288	E	37.8	Very low	51.3	Low	173 Å²	173	89 Å²	89	81%	0.808	51%	0.507	S	S	*	.			trans	-52.4	99.6	171.2	-77	-171.3	152.4	0	0	105.2	T286 Q290	T286-E288 PolarHBondContact O-N 2.65Å; E288-Q290 PolarHBondContact O-N 3.1Å
289	K	43.3	Very low	54.7	Low	183 Å²	183	83.9 Å²	83.9	80%	0.796	47%	0.471	S	S	*	.			trans	-48.9	113.7	175.7	-79.7	-177.8	173.4	-177.2	0	104	S287 Q291	S287-K289 PolarHBondContact O-N 3.11Å; K289-Q291 WeakPolarHBondContact O-CA 3.23Å; K289-Q291 WeakPolarHBondContact O-CG 3.43Å; K289-Q291 PolarHBondContact O-N 2.77Å
290	Q	53.5	Low	58.2	Low	104 Å²	104	77.6 Å²	77.6	49%	0.486	43%	0.431	S	S	.	.			trans	-46.1	103.2	-169.1	-78.8	177	-12.3	0	0	108.1	A243 E288	A243-Q290 PolarHBondContact O-OE1 3.1Å; E288-Q290 PolarHBondContact O-N 3.1Å
291	Q	62.7	Low	61.6	Low	90 Å²	90	72.5 Å²	72.5	42%	0.421	40%	0.399	S	S	.	.			trans	-70.7	142.4	-170.8	-70.7	-164.2	5.9	0	0	108	K289 L293 R777	K289-Q291 WeakPolarHBondContact O-CA 3.23Å; K289-Q291 WeakPolarHBondContact O-CG 3.43Å; K289-Q291 PolarHBondContact O-N 2.77Å; Q291-L293 PolarHBondContact O-N 3.04Å; Q291-R777 HydrophobicContact CB-CB 4.44Å; Q291-R777 HydrophobicContact CB-CG 4.03Å
292	P	67.2	Low	65	Low	27 Å²	27	64.9 Å²	64.9	18%	0.175	36%	0.358	C	S	.	.			trans	-53.5	132.7	-177.2	-25.8	32.8	0	0	0	111.7	C241 Y775	C241-P292 WeakPolarHBondContact O-CA 3.48Å; P292-Y775 HydrophobicContact CB-CD1 3.82Å; P292-Y775 HydrophobicContact CB-CE1 4.13Å
293	L	80.6	Confident	68.4	Low	36 Å²	36	62.9 Å²	62.9	19%	0.188	35%	0.348	C	S	.	.			trans	-122.8	116.8	177.1	-178.7	56.9	0	0	0	110	C241 Q291 S295 R777 L790	C241-L293 WeakPolarHBondContact CA-O 3.38Å; C241-L293 PolarHBondContact O-N 3.07Å; Q291-L293 PolarHBondContact O-N 3.04Å; L293-S295 PolarHBondContact O-N 3.31Å; L293-S295 PolarHBondContact O-OG 3.43Å; L293-R777 VanDerWaalsContact CD1-NH1 3.26Å; L293-L790 HydrophobicContact CD1-CD2 4.2Å
294	L	89.1	Confident	71.7	Confident	7 Å²	7	59 Å²	59	4%	0.037	32%	0.324	C	S	.	.			trans	-62	106.9	172.3	-168.7	72.6	0	0	0	109.3	P318 A321 P742 M794 I797 I798	L294-P318 HydrophobicContact CD1-CB 3.67Å; L294-P318 HydrophobicContact CD1-CG 3.35Å; L294-A321 HydrophobicContact CD1-CB 4.11Å; L294-P742 HydrophobicContact CD2-CG 3.78Å; L294-M794 HydrophobicContact CD2-CB 4.24Å; L294-M794 HydrophobicContact CD2-CG 3.75Å; L294-I797 VanDerWaalsContact C-CD1 3.49Å; L294-I797 HydrophobicContact CB-CD1 4.36Å; L294-I797 HydrophobicContact CD1-CG2 4.42Å; L294-I797 HydrophobicContact CD2-CB 4.16Å; L294-I797 HydrophobicContact CD2-CD1 4.18Å; L294-I797 HydrophobicContact CD2-CG2 3.89Å; L294-I797 HydrophobicContact CG-CB 4.48Å; L294-I797 HydrophobicContact CG-CD1 3.81Å; L294-I797 HydrophobicContact CG-CG2 4Å; L294-I797 WeakPolarHBondContact O-CD1 3.43Å; L294-I798 HydrophobicContact CD2-CG2 4.2Å
295	S	92.3	Very high	74.9	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.063	32%	0.323	C	S	.	.			trans	-149.5	23.3	-169	53.7	0	0	0	0	113.4	L220 R240 L293	L220-S295 PolarHBondContact N-O 3.2Å; R240-S295 WeakPolarHBondContact CG-O 3.46Å; R240-S295 WeakPolarHBondContact CG-OG 3.47Å; R240-S295 PolarHBondContact NE-O 2.85Å; R240-S295 PolarHBondContact O-OG 3.29Å; L293-S295 PolarHBondContact O-N 3.31Å; L293-S295 PolarHBondContact O-OG 3.43Å
296	A	96.1	Very high	77.7	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.008	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.9	174.7	0	0	0	0	0	110.3	L220 F222 L237 R240 A321 I797	L220-A296 HydrophobicContact CB-CB 4.42Å; L220-A296 CarbonylContact O-C 3.55Å; L220-A296 WeakPolarHBondContact O-CA 3.46Å; F222-A296 HydrophobicContact CE1-CB 4.24Å; L237-A296 HydrophobicContact CD2-CB 3.95Å; R240-A296 HydrophobicContact CB-CB 3.95Å; R240-A296 HydrophobicContact CG-CB 3.82Å; A296-A321 WeakPolarHBondContact O-CB 3.44Å; A296-I797 WeakPolarHBondContact O-CG2 3.38Å
297	K	97.6	Very high	80.5	Confident	7 Å²	7	58.1 Å²	58.1	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	120.9	171.1	-170.7	178.2	-166.1	162.5	0	110.1	I219 L220 Y221 F222 F299 A321 N796 I797 N799 F800	I219-K297 HydrophobicContact CG2-CB 3.8Å; L220-K297 PolarHBondContact O-N 2.85Å; Y221-K297 WeakPolarHBondContact CA-O 3.31Å; Y221-K297 HydrophobicContact CD1-CB 3.95Å; Y221-K297 HydrophobicContact CD1-CD 4.13Å; Y221-K297 HydrophobicContact CD1-CG 4.43Å; Y221-K297 HydrophobicContact CE1-CB 4.17Å; Y221-K297 HydrophobicContact CE1-CD 3.77Å; F222-K297 WeakPolarHBondContact CD1-O 2.89Å; F222-K297 PolarHBondContact N-O 2.9Å; K297-F299 HydrophobicContact CD-CE1 4.37Å; K297-F299 HydrophobicContact CD-CZ 4.05Å; K297-F299 HydrophobicContact CG-CE1 4.41Å; K297-F299 HydrophobicContact CG-CZ 4.14Å; K297-A321 CarbonylContact C-O 3.48Å; K297-A321 WeakPolarHBondContact CA-O 3.33Å; K297-N796 PolarHBondContact NZ-O 3.26Å; K297-I797 WeakPolarHBondContact CE-O 3.44Å; K297-N799 PolarHBondContact NZ-O 3.27Å; K297-F800 HydrophobicContact CD-CE1 4.12Å; K297-F800 HydrophobicContact CD-CZ 4.27Å; K297-F800 HydrophobicContact CG-CE1 3.79Å; K297-F800 HydrophobicContact CG-CZ 3.71Å
298	G	98	Very high	83.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	145	-173.4	0	0	0	0	0	114.3	F222 A321 F322 M323	F222-G298 CarbonylContact O-C 3.54Å; F222-G298 WeakPolarHBondContact O-CA 3.48Å; G298-A321 PolarHBondContact N-O 3.36Å; G298-F322 WeakPolarHBondContact O-CA 3.28Å; G298-M323 PolarHBondContact O-N 3.49Å; G298-M323 VanDerWaalsContact O-N 3.12Å
299	F	98.1	Very high	86.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.4	176.4	-47.4	-77.6	0	0	0	110.2	Y221 F222 A223 D224 K297 F343 F346 I347 S350 T351 V356 F800	Y221-F299 AromaticContact CD1-CE2 4Å; Y221-F299 HydrophobicContact CD1-CE2 4Å; Y221-F299 HydrophobicContact CD1-CZ 4.01Å; F222-F299 WeakPolarHBondContact O-CD2 3.4Å; F222-F299 PolarHBondContact O-N 3.39Å; A223-F299 CarbonylContact C-O 3.22Å; A223-F299 VanDerWaalsContact CA-O 3.26Å; A223-F299 WeakPolarHBondContact CA-O 3.35Å; D224-F299 PolarHBondContact N-O 3.08Å; K297-F299 HydrophobicContact CD-CE1 4.37Å; K297-F299 HydrophobicContact CD-CZ 4.05Å; K297-F299 HydrophobicContact CG-CE1 4.41Å; K297-F299 HydrophobicContact CG-CZ 4.14Å; F299-F343 HydrophobicContact CB-CE2 3.99Å; F299-F343 HydrophobicContact CB-CZ 3.95Å; F299-F346 HydrophobicContact CB-CE1 4.34Å; F299-F346 HydrophobicContact CD1-CD1 4.06Å; F299-F346 AromaticContact CD1-CE1 3.52Å; F299-F346 HydrophobicContact CD1-CE1 3.52Å; F299-F346 HydrophobicContact CD1-CZ 4.1Å; F299-F346 HydrophobicContact CE1-CE1 4.33Å; F299-F346 HydrophobicContact CG-CE1 4.36Å; F299-I347 HydrophobicContact CB-CD1 4.29Å; F299-I347 HydrophobicContact CB-CG1 4.1Å; F299-I347 HydrophobicContact CD1-CG1 4.43Å; F299-I347 HydrophobicContact CD2-CD1 4.33Å; F299-I347 HydrophobicContact CD2-CG1 3.91Å; F299-I347 HydrophobicContact CE2-CG1 4.48Å; F299-I347 HydrophobicContact CG-CD1 4.45Å; F299-I347 HydrophobicContact CG-CG1 3.89Å; F299-S350 WeakPolarHBondContact CE1-OG 3.39Å; F299-S350 VanDerWaalsContact CZ-CB 3.44Å; F299-T351 HydrophobicContact CE2-CG2 4.11Å; F299-T351 HydrophobicContact CZ-CG2 4.16Å; F299-V356 HydrophobicContact CD2-CG1 3.74Å; F299-V356 HydrophobicContact CE2-CG1 3.9Å; F299-F800 HydrophobicContact CD1-CD1 4.2Å; F299-F800 AromaticContact CD1-CE1 3.87Å; F299-F800 HydrophobicContact CD1-CE1 3.87Å; F299-F800 AromaticContact CE1-CD1 3.9Å; F299-F800 HydrophobicContact CE1-CD1 3.9Å; F299-F800 AromaticContact CE1-CE1 3.66Å; F299-F800 HydrophobicContact CE1-CE1 3.66Å
300	G	97.8	Very high	88.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.2	-177.4	0	0	0	0	0	113.8	D224 F322 M323 H325 F343	D224-G300 WeakPolarHBondContact O-CA 2.9Å; G300-F322 VanDerWaalsContact CA-CZ 3.43Å; G300-M323 PolarHBondContact N-O 2.96Å; G300-H325 PolarHBondContact O-N 3.15Å; G300-F343 WeakPolarHBondContact O-CE2 2.97Å
301	L	97.2	Very high	90.2	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	114	165.7	176.3	69.2	0	0	0	109.4	D224 I225 C226 H325 V334 F343	D224-L301 PolarHBondContact O-N 2.73Å; D224-L301 VanDerWaalsContact O-N 3.11Å; I225-L301 CarbonylContact C-O 3.6Å; I225-L301 VanDerWaalsContact CA-O 3.22Å; I225-L301 WeakPolarHBondContact CA-O 3.49Å; I225-L301 HydrophobicContact CB-CB 4.5Å; I225-L301 HydrophobicContact CG2-CB 4.05Å; C226-L301 PolarHBondContact N-O 2.66Å; L301-H325 WeakPolarHBondContact CD1-O 3.49Å; L301-V334 HydrophobicContact CD2-CB 4.35Å; L301-V334 HydrophobicContact CD2-CG2 4.11Å; L301-F343 HydrophobicContact CB-CD1 4.4Å; L301-F343 HydrophobicContact CB-CD2 4.02Å; L301-F343 HydrophobicContact CB-CE1 4.26Å; L301-F343 HydrophobicContact CB-CE2 3.88Å; L301-F343 HydrophobicContact CB-CG 4.28Å; L301-F343 HydrophobicContact CB-CZ 4Å; L301-F343 HydrophobicContact CD2-CB 4.33Å; L301-F343 HydrophobicContact CD2-CD1 4.22Å; L301-F343 HydrophobicContact CD2-CG 4.19Å
302	T	96.2	Very high	91.4	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.031	24%	0.237	C	C	.	.			trans	-148.5	157.9	178.2	-166.7	0	0	0	0	110.3	G228 T304 C307 F309 Y326 G332	G228-T302 PolarHBondContact N-OG1 3.35Å; T302-T304 PolarHBondContact O-N 2.91Å; T302-C307 VanDerWaalsContact CG2-O 3.24Å; T302-C307 WeakPolarHBondContact CG2-O 3.33Å; T302-C307 PolarHBondContact OG1-O 2.89Å; T302-F309 HydrophobicContact CG2-CD2 3.38Å; T302-F309 HydrophobicContact CG2-CE2 3.37Å; T302-F309 HydrophobicContact CG2-CG 4.05Å; T302-F309 HydrophobicContact CG2-CZ 4.02Å; T302-Y326 HydrophobicContact CG2-CE1 4.33Å; T302-Y326 WeakPolarHBondContact O-CD1 3.37Å; T302-G332 CarbonylContact C-O 3.56Å; T302-G332 VanDerWaalsContact O-CA 3.32Å; T302-G332 WeakPolarHBondContact O-CA 3.39Å
303	L	95.4	Very high	92.5	Very high	85 Å²	85	44.7 Å²	44.7	45%	0.445	24%	0.242	S	C	.	.			trans	-56.2	132.6	173.3	-70.4	173.4	0	0	0	110.7	C307 D308 D331 D333	L303-C307 HydrophobicContact CB-CB 4.15Å; L303-C307 CarbonylContact O-C 3.43Å; L303-D308 PolarHBondContact O-N 2.81Å; L303-D331 WeakPolarHBondContact CA-O 3.27Å; L303-D333 HydrophobicContact CD2-CB 3.85Å
304	T	93.3	Very high	93.1	Very high	61 Å²	61	43.3 Å²	43.3	37%	0.374	23%	0.234	S	C	.	.	S	Bend	trans	-66.8	166.3	173.8	57.4	0	0	0	0	112.1	T302 Y326 R330 D331	T302-T304 PolarHBondContact O-N 2.91Å; T304-Y326 HydrophobicContact CG2-CD1 3.35Å; T304-Y326 HydrophobicContact CG2-CE1 3.75Å; T304-Y326 HydrophobicContact CG2-CG 3.77Å; T304-R330 WeakPolarHBondContact CG2-O 3.43Å; T304-D331 PolarHBondContact N-O 2.82Å
305	G	91.6	Very high	93.2	Very high	61 Å²	61	44.3 Å²	44.3	63%	0.629	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	88.9	-122.7	177.5	0	0	0	0	0	112.7	C307 D308	G305-C307 VanDerWaalsContact C-N 3.28Å; G305-C307 PolarHBondContact O-N 3.2Å; G305-D308 VanDerWaalsContact O-CB 3.31Å; G305-D308 WeakPolarHBondContact O-CB 3.43Å; G305-D308 PolarHBondContact O-N 3.15Å
306	Q	86.2	Confident	93.1	Very high	203 Å²	203	43.9 Å²	43.9	95%	0.949	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-72.5	-23.3	-174.5	-65.7	-174.9	4	0	0	113.4
307	C	84.3	Confident	92.8	Very high	67 Å²	67	44 Å²	44	45%	0.453	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-100.1	21.3	179.6	-58	0	0	0	0	112.1	G228 T302 L303 G305	G228-C307 VanDerWaalsContact CA-O 3.3Å; G228-C307 WeakPolarHBondContact CA-O 3.45Å; T302-C307 VanDerWaalsContact CG2-O 3.24Å; T302-C307 WeakPolarHBondContact CG2-O 3.33Å; T302-C307 PolarHBondContact OG1-O 2.89Å; L303-C307 HydrophobicContact CB-CB 4.15Å; L303-C307 CarbonylContact O-C 3.43Å; G305-C307 VanDerWaalsContact C-N 3.28Å; G305-C307 PolarHBondContact O-N 3.2Å
308	D	93.6	Very high	92.5	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	24%	0.237	C	C	.	.			trans	-79.9	157.4	-175.9	-153	-13.3	0	0	0	112.2	P229 L303 G305 Y326	P229-D308 WeakPolarHBondContact CA-O 3.46Å; L303-D308 PolarHBondContact O-N 2.81Å; G305-D308 VanDerWaalsContact O-CB 3.31Å; G305-D308 WeakPolarHBondContact O-CB 3.43Å; G305-D308 PolarHBondContact O-N 3.15Å; D308-Y326 WeakPolarHBondContact OD1-CE1 3.47Å; D308-Y326 PolarHBondContact OD1-OH 2.95Å; D308-Y326 PolarHBondContact OD2-OH 2.98Å
309	F	93.5	Very high	92.3	Very high	16 Å²	16	44.5 Å²	44.5	7%	0.07	24%	0.24	C	C	.	.			trans	-61.9	135.6	169.7	-70.9	-70.5	0	0	0	110.5	A227 T302 E311 F322 A324	A227-F309 HydrophobicContact CB-CE1 4.02Å; A227-F309 HydrophobicContact CB-CZ 4.24Å; T302-F309 HydrophobicContact CG2-CD2 3.38Å; T302-F309 HydrophobicContact CG2-CE2 3.37Å; T302-F309 HydrophobicContact CG2-CG 4.05Å; T302-F309 HydrophobicContact CG2-CZ 4.02Å; F309-E311 HydrophobicContact CB-CG 4.25Å; F309-F322 AromaticContact CD1-CE1 3.93Å; F309-F322 HydrophobicContact CD1-CE1 3.93Å; F309-F322 AromaticContact CD1-CZ 3.98Å; F309-F322 HydrophobicContact CD1-CZ 3.98Å; F309-F322 HydrophobicContact CD2-CE1 4.24Å; F309-F322 HydrophobicContact CE1-CE1 4.1Å; F309-F322 AromaticContact CE1-CZ 3.67Å; F309-F322 HydrophobicContact CE1-CZ 3.67Å; F309-F322 HydrophobicContact CE2-CE1 4.39Å; F309-F322 HydrophobicContact CE2-CZ 4.22Å; F309-F322 HydrophobicContact CG-CE1 4.01Å; F309-F322 HydrophobicContact CG-CZ 4.39Å; F309-F322 HydrophobicContact CZ-CE1 4.34Å; F309-F322 AromaticContact CZ-CZ 3.81Å; F309-F322 HydrophobicContact CZ-CZ 3.81Å; F309-A324 HydrophobicContact CD2-CB 3.56Å; F309-A324 HydrophobicContact CE2-CB 4.16Å; F309-A324 HydrophobicContact CG-CB 4.38Å
310	R	93.2	Very high	92.1	Very high	124 Å²	124	45 Å²	45	47%	0.468	24%	0.243	S	C	.	.			trans	-106.5	65.8	172.3	-65.1	-170.8	-75.9	149.9	-10.3	109.1	P229 N312 D313 F314	P229-R310 HydrophobicContact CB-CB 4.08Å; P229-R310 HydrophobicContact CB-CG 3.98Å; P229-R310 PolarHBondContact O-N 3.03Å; R310-N312 PolarHBondContact O-N 3.13Å; R310-N312 VanDerWaalsContact O-N 3.09Å; R310-D313 HydrophobicContact CB-CB 4.12Å; R310-D313 WeakPolarHBondContact CD-OD2 3.41Å; R310-D313 IonicContact CZ-OD2 2.86Å; R310-D313 IonicContact NE-OD2 3.41Å; R310-D313 IonicContact NH1-OD2 3.2Å; R310-D313 PolarHBondContact NH1-OD2 3.28Å; R310-D313 WeakPolarHBondContact O-CA 3.39Å; R310-D313 WeakPolarHBondContact O-CB 3.37Å; R310-D313 PolarHBondContact O-N 2.92Å; R310-F314 WeakPolarHBondContact O-CD1 3.36Å
311	E	89.9	Confident	92	Very high	47 Å²	47	45 Å²	45	22%	0.22	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.5	-33.6	-175.9	-64.5	-174.8	-169.2	0	0	113.1	F309 D313 F314 K319 F322 A324 R740	F309-E311 HydrophobicContact CB-CG 4.25Å; E311-D313 PolarHBondContact O-N 3.45Å; E311-F314 VanDerWaalsContact O-CB 3.29Å; E311-F314 WeakPolarHBondContact O-CB 3.41Å; E311-F314 PolarHBondContact O-N 3.14Å; E311-F314 VanDerWaalsContact O-N 3.13Å; E311-K319 VanDerWaalsContact O-CD 3.29Å; E311-K319 WeakPolarHBondContact O-CD 3.41Å; E311-F322 HydrophobicContact CG-CD1 4.18Å; E311-A324 PolarHBondContact OE1-N 3.11Å; E311-R740 IonicContact OE2-NH2 2.73Å; E311-R740 PolarHBondContact OE2-NH2 2.69Å
312	N	88.1	Confident	91.9	Very high	111 Å²	111	45 Å²	45	59%	0.594	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-68.9	-16.9	177	-68.7	-35.7	0	0	0	113.9	R310 F314 K319	R310-N312 PolarHBondContact O-N 3.13Å; R310-N312 VanDerWaalsContact O-N 3.09Å; N312-F314 VanDerWaalsContact C-N 3.34Å; N312-K319 PolarHBondContact OD1-NZ 3.33Å
313	D	91.3	Very high	91.9	Very high	53 Å²	53	46.1 Å²	46.1	28%	0.283	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-87.8	-2.4	174.9	-66.1	-19.3	0	0	0	112.4	M192 R310 E311 L315 R626	M192-D313 HydrophobicContact CB-CB 4.38Å; M192-D313 HydrophobicContact CE-CB 4.23Å; R310-D313 HydrophobicContact CB-CB 4.12Å; R310-D313 WeakPolarHBondContact CD-OD2 3.41Å; R310-D313 IonicContact CZ-OD2 2.86Å; R310-D313 IonicContact NE-OD2 3.41Å; R310-D313 IonicContact NH1-OD2 3.2Å; R310-D313 PolarHBondContact NH1-OD2 3.28Å; R310-D313 WeakPolarHBondContact O-CA 3.39Å; R310-D313 WeakPolarHBondContact O-CB 3.37Å; R310-D313 PolarHBondContact O-N 2.92Å; E311-D313 PolarHBondContact O-N 3.45Å; D313-L315 VanDerWaalsContact C-N 3.29Å; D313-L315 PolarHBondContact O-N 3.23Å; D313-R626 PolarHBondContact O-NH2 3.37Å
314	F	92.1	Very high	91.9	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.031	23%	0.233	C	C	.	.			trans	-75.6	83.6	174.6	-72.2	41.9	0	0	0	108.1	M192 G230 E234 L237 R310 E311 N312 K319 F322	M192-F314 HydrophobicContact CE-CB 4.47Å; M192-F314 HydrophobicContact CE-CD1 3.04Å; M192-F314 HydrophobicContact CE-CE1 3.3Å; M192-F314 HydrophobicContact CE-CG 3.86Å; M192-F314 HydrophobicContact CE-CZ 4.32Å; M192-F314 HydrophobicContact SD-CE1 4.34Å; G230-F314 WeakPolarHBondContact O-CZ 3.47Å; E234-F314 HydrophobicContact CB-CD2 4.26Å; E234-F314 HydrophobicContact CB-CG 4.31Å; E234-F314 HydrophobicContact CG-CB 4.36Å; E234-F314 HydrophobicContact CG-CG 4.46Å; L237-F314 HydrophobicContact CD1-CD2 3.83Å; L237-F314 HydrophobicContact CD1-CE2 3.99Å; R310-F314 WeakPolarHBondContact O-CD1 3.36Å; E311-F314 VanDerWaalsContact O-CB 3.29Å; E311-F314 WeakPolarHBondContact O-CB 3.41Å; E311-F314 PolarHBondContact O-N 3.14Å; E311-F314 VanDerWaalsContact O-N 3.13Å; N312-F314 VanDerWaalsContact C-N 3.34Å; F314-K319 HydrophobicContact CB-CB 3.84Å; F314-K319 HydrophobicContact CD2-CB 4.47Å; F314-K319 HydrophobicContact CG-CB 4.37Å; F314-F322 HydrophobicContact CE2-CB 4.38Å; F314-F322 HydrophobicContact CE2-CD1 4.2Å; F314-F322 HydrophobicContact CE2-CD2 4.48Å; F314-F322 HydrophobicContact CE2-CG 4.11Å; F314-F322 HydrophobicContact CZ-CD1 4.35Å; F314-F322 HydrophobicContact CZ-CE1 4.41Å
315	L	91	Very high	91.9	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.147	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-29.4	-176.4	-64.3	172.8	0	0	0	111	E234 D313 R627 P630 W631	E234-L315 PolarHBondContact OE1-N 3.5Å; D313-L315 VanDerWaalsContact C-N 3.29Å; D313-L315 PolarHBondContact O-N 3.23Å; L315-R627 WeakPolarHBondContact CD1-O 3.03Å; L315-P630 CarbonylContact O-C 3.36Å; L315-P630 WeakPolarHBondContact O-CA 3.45Å; L315-W631 WeakPolarHBondContact O-CB 3.33Å; L315-W631 PolarHBondContact O-N 2.92Å
316	A	91	Very high	92.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-41.9	177	0	0	0	0	0	112.1	I190 F191 E234 W238 W631 Y775	I190-A316 HydrophobicContact CD1-CB 4.31Å; F191-A316 HydrophobicContact CD1-CB 3.65Å; F191-A316 HydrophobicContact CE1-CB 3.76Å; E234-A316 HydrophobicContact CG-CB 4Å; E234-A316 PolarHBondContact OE1-N 2.93Å; W238-A316 HydrophobicContact CB-CB 4.07Å; W238-A316 VanDerWaalsContact CD1-O 3.24Å; W238-A316 HydrophobicContact CG-CB 4.08Å; A316-W631 WeakPolarHBondContact O-CB 3.31Å; A316-Y775 PolarHBondContact O-OH 3.07Å
317	G	89.6	Confident	92.3	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.031	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	156.6	-179	0	0	0	0	0	113.7	K319	G317-K319 PolarHBondContact O-N 2.8Å; G317-K319 VanDerWaalsContact O-N 3.12Å
318	P	91.9	Very high	92.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	102.9	174.4	26.6	-33.3	0	0	0	111.6	L294 E320 A321 Y775	L294-P318 HydrophobicContact CD1-CB 3.67Å; L294-P318 HydrophobicContact CD1-CG 3.35Å; P318-E320 PolarHBondContact O-N 2.96Å; P318-A321 HydrophobicContact CG-CB 4.35Å; P318-A321 WeakPolarHBondContact O-CB 3.3Å; P318-A321 PolarHBondContact O-N 3.07Å; P318-A321 VanDerWaalsContact O-N 3.14Å; P318-Y775 HydrophobicContact CB-CD2 4.11Å; P318-Y775 HydrophobicContact CB-CE2 3.65Å; P318-Y775 WeakPolarHBondContact CD-OH 3.44Å; P318-Y775 HydrophobicContact CG-CE1 4.41Å; P318-Y775 HydrophobicContact CG-CE2 4.24Å
319	K	92.8	Very high	92.5	Very high	17 Å²	17	35.2 Å²	35.2	7%	0.074	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-61.1	-26.3	-179.5	72.4	-178.2	174.8	-174	0	114	E311 N312 F314 G317 A321 F322 G712 S713 R740	E311-K319 VanDerWaalsContact O-CD 3.29Å; E311-K319 WeakPolarHBondContact O-CD 3.41Å; N312-K319 PolarHBondContact OD1-NZ 3.33Å; F314-K319 HydrophobicContact CB-CB 3.84Å; F314-K319 HydrophobicContact CD2-CB 4.47Å; F314-K319 HydrophobicContact CG-CB 4.37Å; G317-K319 PolarHBondContact O-N 2.8Å; G317-K319 VanDerWaalsContact O-N 3.12Å; K319-A321 PolarHBondContact O-N 2.99Å; K319-F322 WeakPolarHBondContact O-CB 3.22Å; K319-F322 PolarHBondContact O-N 3.23Å; K319-G712 WeakPolarHBondContact CE-O 3.43Å; K319-S713 PolarHBondContact NZ-O 2.97Å; K319-R740 PolarHBondContact O-NH2 2.94Å
320	E	93.6	Very high	92.5	Very high	11 Å²	11	43.5 Å²	43.5	5%	0.051	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.5	179.2	-65	74.2	-162.1	0	0	112.3	P318 F322 R740 P743 I798	P318-E320 PolarHBondContact O-N 2.96Å; E320-F322 PolarHBondContact O-N 3.02Å; E320-R740 HydrophobicContact CB-CB 4.24Å; E320-R740 WeakPolarHBondContact CB-O 3.35Å; E320-R740 HydrophobicContact CG-CB 3.97Å; E320-R740 WeakPolarHBondContact CG-O 3.04Å; E320-R740 PolarHBondContact O-NH1 3.35Å; E320-P743 VanDerWaalsContact OE2-CD 3.23Å; E320-P743 WeakPolarHBondContact OE2-CD 3.39Å; E320-I798 HydrophobicContact CB-CG2 4.03Å
321	A	95.2	Very high	92.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-84.1	7.7	173.6	0	0	0	0	0	113.6	L237 L294 A296 K297 G298 P318 K319 I797	L237-A321 HydrophobicContact CD2-CB 3.81Å; L294-A321 HydrophobicContact CD1-CB 4.11Å; A296-A321 WeakPolarHBondContact O-CB 3.44Å; K297-A321 CarbonylContact C-O 3.48Å; K297-A321 WeakPolarHBondContact CA-O 3.33Å; G298-A321 PolarHBondContact N-O 3.36Å; P318-A321 HydrophobicContact CG-CB 4.35Å; P318-A321 WeakPolarHBondContact O-CB 3.3Å; P318-A321 PolarHBondContact O-N 3.07Å; P318-A321 VanDerWaalsContact O-N 3.14Å; K319-A321 PolarHBondContact O-N 2.99Å; A321-I797 HydrophobicContact CB-CG2 3.42Å; A321-I797 VanDerWaalsContact CB-CG2 3.42Å
322	F	96.1	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148	176.3	-171.7	-96.4	0	0	0	110.9	F222 D224 S233 L237 G298 G300 F309 E311 F314 K319 E320 R740	F222-F322 HydrophobicContact CE2-CD2 4.17Å; F222-F322 HydrophobicContact CE2-CE2 4.18Å; F222-F322 HydrophobicContact CZ-CD2 4.07Å; D224-F322 HydrophobicContact CB-CE2 4.4Å; S233-F322 WeakPolarHBondContact OG-CE2 3.39Å; L237-F322 HydrophobicContact CD1-CB 4.05Å; G298-F322 WeakPolarHBondContact O-CA 3.28Å; G300-F322 VanDerWaalsContact CA-CZ 3.43Å; F309-F322 AromaticContact CD1-CE1 3.93Å; F309-F322 HydrophobicContact CD1-CE1 3.93Å; F309-F322 AromaticContact CD1-CZ 3.98Å; F309-F322 HydrophobicContact CD1-CZ 3.98Å; F309-F322 HydrophobicContact CD2-CE1 4.24Å; F309-F322 HydrophobicContact CE1-CE1 4.1Å; F309-F322 AromaticContact CE1-CZ 3.67Å; F309-F322 HydrophobicContact CE1-CZ 3.67Å; F309-F322 HydrophobicContact CE2-CE1 4.39Å; F309-F322 HydrophobicContact CE2-CZ 4.22Å; F309-F322 HydrophobicContact CG-CE1 4.01Å; F309-F322 HydrophobicContact CG-CZ 4.39Å; F309-F322 HydrophobicContact CZ-CE1 4.34Å; F309-F322 AromaticContact CZ-CZ 3.81Å; F309-F322 HydrophobicContact CZ-CZ 3.81Å; E311-F322 HydrophobicContact CG-CD1 4.18Å; F314-F322 HydrophobicContact CE2-CB 4.38Å; F314-F322 HydrophobicContact CE2-CD1 4.2Å; F314-F322 HydrophobicContact CE2-CD2 4.48Å; F314-F322 HydrophobicContact CE2-CG 4.11Å; F314-F322 HydrophobicContact CZ-CD1 4.35Å; F314-F322 HydrophobicContact CZ-CE1 4.41Å; K319-F322 WeakPolarHBondContact O-CB 3.22Å; K319-F322 PolarHBondContact O-N 3.23Å; E320-F322 PolarHBondContact O-N 3.02Å; F322-R740 PolarHBondContact O-NH1 3.07Å; F322-R740 VanDerWaalsContact O-NH1 3.1Å; F322-R740 PolarHBondContact O-NH2 3.39Å
323	M	95.2	Very high	93.1	Very high	30 Å²	30	33.8 Å²	33.8	15%	0.148	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	122	170.9	-176.9	163	-74.6	0	0	111.5	G298 G300 F346 F800 M803	G298-M323 PolarHBondContact O-N 3.49Å; G298-M323 VanDerWaalsContact O-N 3.12Å; G300-M323 PolarHBondContact N-O 2.96Å; M323-F346 HydrophobicContact CB-CZ 4.15Å; M323-F346 HydrophobicContact CG-CZ 3.91Å; M323-F346 HydrophobicContact SD-CE2 4.23Å; M323-F346 HydrophobicContact SD-CZ 3.8Å; M323-F800 HydrophobicContact CB-CD1 3.65Å; M323-F800 HydrophobicContact CB-CD2 4.05Å; M323-F800 HydrophobicContact CB-CE1 3.64Å; M323-F800 HydrophobicContact CB-CE2 4.07Å; M323-F800 HydrophobicContact CB-CG 3.85Å; M323-F800 HydrophobicContact CB-CZ 3.87Å; M323-F800 HydrophobicContact CE-CB 3.73Å; M323-F800 HydrophobicContact CE-CD2 3.82Å; M323-F800 HydrophobicContact CE-CG 3.89Å; M323-F800 HydrophobicContact CG-CD1 4.41Å; M323-F800 HydrophobicContact CG-CG 4.37Å; M323-F800 HydrophobicContact SD-CB 3.37Å; M323-F800 WeakPolarHBondContact SD-CB 3.48Å; M323-F800 HydrophobicContact SD-CD1 4.14Å; M323-F800 HydrophobicContact SD-CD2 4.21Å; M323-F800 HydrophobicContact SD-CG 3.67Å; M323-M803 HydrophobicContact CE-CB 3.74Å; M323-M803 HydrophobicContact SD-CB 4.41Å
324	A	95.4	Very high	93.4	Very high	16 Å²	16	31.6 Å²	31.6	13%	0.132	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.5	167.2	0	0	0	0	0	112.1	F309 E311 Y326	F309-A324 HydrophobicContact CD2-CB 3.56Å; F309-A324 HydrophobicContact CE2-CB 4.16Å; F309-A324 HydrophobicContact CG-CB 4.38Å; E311-A324 PolarHBondContact OE1-N 3.11Å; A324-Y326 HydrophobicContact CB-CE1 4.38Å; A324-Y326 HydrophobicContact CB-CE2 3.86Å; A324-Y326 WeakPolarHBondContact CB-OH 3.19Å
325	H	95	Very high	93.5	Very high	38 Å²	38	32.2 Å²	32.2	18%	0.176	16%	0.162	C	C	.	.			trans	-136.3	109.2	176.3	-178.9	80.8	0	0	0	110.1	G300 L301 G327 S342 F343 F346	G300-H325 PolarHBondContact O-N 3.15Å; L301-H325 WeakPolarHBondContact CD1-O 3.49Å; H325-G327 VanDerWaalsContact C-N 3.27Å; H325-G327 PolarHBondContact O-N 3.32Å; H325-S342 PolarHBondContact CE1-OG 3.25Å; H325-S342 PolarHBondContact NE2-O 3.13Å; H325-S342 PolarHBondContact NE2-OG 3.18Å; H325-F343 HydrophobicContact CB-CD2 4.05Å; H325-F343 HydrophobicContact CB-CE2 4.35Å; H325-F343 AromaticContact CD2-CD2 3.87Å; H325-F346 HydrophobicContact CB-CD1 3.65Å; H325-F346 HydrophobicContact CB-CE1 3.82Å; H325-F346 HydrophobicContact CB-CG 4.29Å; H325-F346 AromaticContact CG-CD1 3.85Å; H325-F346 AromaticContact ND1-CG 4Å
326	Y	95.1	Very high	93.7	Very high	61 Å²	61	34.4 Å²	34.4	24%	0.239	17%	0.17	C	C	.	.			trans	-88.9	21.2	-170.3	-55.7	-80.5	0	0	0	114.7	T302 T304 D308 A324 R330 D331 G332	T302-Y326 HydrophobicContact CG2-CE1 4.33Å; T302-Y326 WeakPolarHBondContact O-CD1 3.37Å; T304-Y326 HydrophobicContact CG2-CD1 3.35Å; T304-Y326 HydrophobicContact CG2-CE1 3.75Å; T304-Y326 HydrophobicContact CG2-CG 3.77Å; D308-Y326 WeakPolarHBondContact OD1-CE1 3.47Å; D308-Y326 PolarHBondContact OD1-OH 2.95Å; D308-Y326 PolarHBondContact OD2-OH 2.98Å; A324-Y326 HydrophobicContact CB-CE1 4.38Å; A324-Y326 HydrophobicContact CB-CE2 3.86Å; A324-Y326 WeakPolarHBondContact CB-OH 3.19Å; Y326-R330 CarbonylContact O-C 3.46Å; Y326-R330 VanDerWaalsContact O-CA 3.26Å; Y326-R330 WeakPolarHBondContact O-CA 3.29Å; Y326-R330 PolarHBondContact O-N 3.23Å; Y326-D331 PolarHBondContact O-N 3.47Å; Y326-G332 PolarHBondContact O-N 2.81Å
327	G	91.3	Very high	93.8	Very high	9 Å²	9	37.1 Å²	37.1	9%	0.093	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-172	179.6	0	0	0	0	0	114.5	H325 R330 N339	H325-G327 VanDerWaalsContact C-N 3.27Å; H325-G327 PolarHBondContact O-N 3.32Å; G327-R330 PolarHBondContact O-N 2.82Å; G327-N339 WeakPolarHBondContact CA-OD1 3.09Å
328	A	90.3	Very high	93.9	Very high	58 Å²	58	38.2 Å²	38.2	48%	0.479	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-36.5	-177.6	0	0	0	0	0	112.4	R330 N339 S342	A328-R330 PolarHBondContact O-N 2.93Å; A328-N339 PolarHBondContact N-OD1 2.93Å; A328-S342 PolarHBondContact N-OG 3.29Å
329	E	90.4	Very high	94	Very high	109 Å²	109	38.2 Å²	38.2	51%	0.509	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.3	178.7	-54.6	-53.6	142	0	0	112.6	D331 K336 S338 N339	E329-D331 PolarHBondContact O-N 3.3Å; E329-K336 HydrophobicContact CG-CD 4.04Å; E329-S338 WeakPolarHBondContact CG-OG 3.28Å; E329-S338 PolarHBondContact OE1-OG 3.15Å; E329-N339 PolarHBondContact N-OD1 2.97Å
330	R	92.9	Very high	94.1	Very high	191 Å²	191	37.4 Å²	37.4	72%	0.721	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	22.3	-179.3	-51.1	-179	177.4	-173	-1.2	114.7	T304 Y326 G327 A328	T304-R330 WeakPolarHBondContact CG2-O 3.43Å; Y326-R330 CarbonylContact O-C 3.46Å; Y326-R330 VanDerWaalsContact O-CA 3.26Å; Y326-R330 WeakPolarHBondContact O-CA 3.29Å; Y326-R330 PolarHBondContact O-N 3.23Å; G327-R330 PolarHBondContact O-N 2.82Å; A328-R330 PolarHBondContact O-N 2.93Å
331	D	95.3	Very high	94.1	Very high	37 Å²	37	37.5 Å²	37.5	20%	0.198	19%	0.186	C	C	.	.	S	Bend	trans	-105	-15.5	175.4	58.4	12.1	0	0	0	113	L303 T304 Y326 E329 D333 K336 N339	L303-D331 WeakPolarHBondContact CA-O 3.27Å; T304-D331 PolarHBondContact N-O 2.82Å; Y326-D331 PolarHBondContact O-N 3.47Å; E329-D331 PolarHBondContact O-N 3.3Å; D331-D333 VanDerWaalsContact C-N 3.27Å; D331-D333 PolarHBondContact O-N 2.9Å; D331-D333 PolarHBondContact OD1-N 2.69Å; D331-D333 VanDerWaalsContact OD1-N 3.07Å; D331-K336 WeakPolarHBondContact OD2-CE 2.95Å; D331-K336 IonicContact OD2-NZ 3.87Å; D331-K336 PolarHBondContact OD2-NZ 3.43Å; D331-N339 PolarHBondContact OD1-ND2 3.24Å
332	G	94.8	Very high	94	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.196	C	C	.	.			trans	70.7	17.8	-179.1	0	0	0	0	0	114.8	T302 Y326 V334	T302-G332 CarbonylContact C-O 3.56Å; T302-G332 VanDerWaalsContact O-CA 3.32Å; T302-G332 WeakPolarHBondContact O-CA 3.39Å; Y326-G332 PolarHBondContact O-N 2.81Å; G332-V334 PolarHBondContact O-N 3.14Å
333	D	95.6	Very high	94	Very high	39 Å²	39	38.9 Å²	38.9	21%	0.209	20%	0.196	C	C	.	.			trans	-72.2	110.1	177.4	-174.8	-9	0	0	0	110.7	L303 D331 T335 K336 N339	L303-D333 HydrophobicContact CD2-CB 3.85Å; D331-D333 VanDerWaalsContact C-N 3.27Å; D331-D333 PolarHBondContact O-N 2.9Å; D331-D333 PolarHBondContact OD1-N 2.69Å; D331-D333 VanDerWaalsContact OD1-N 3.07Å; D333-T335 VanDerWaalsContact CG-OG1 3.24Å; D333-T335 PolarHBondContact O-N 2.99Å; D333-T335 WeakPolarHBondContact OD1-CB 3.37Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.14Å; D333-T335 PolarHBondContact OD1-N 3.41Å; D333-T335 PolarHBondContact OD1-OG1 3.21Å; D333-T335 PolarHBondContact OD2-OG1 3.07Å; D333-K336 HydrophobicContact CB-CD 4.08Å; D333-K336 HydrophobicContact CB-CG 4.12Å; D333-K336 PolarHBondContact O-N 3.42Å; D333-K336 WeakPolarHBondContact OD2-CE 3.31Å; D333-N339 PolarHBondContact N-ND2 3.46Å; D333-N339 WeakPolarHBondContact O-CB 3.28Å; D333-N339 PolarHBondContact O-ND2 2.87Å
334	V	96	Very high	94	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.4	-179.6	73.8	0	0	0	0	113	L301 G332 K336 L340 L381 C384 C388	L301-V334 HydrophobicContact CD2-CB 4.35Å; L301-V334 HydrophobicContact CD2-CG2 4.11Å; G332-V334 PolarHBondContact O-N 3.14Å; V334-K336 PolarHBondContact O-N 2.91Å; V334-L340 HydrophobicContact CG2-CD2 3.72Å; V334-L340 WeakPolarHBondContact O-CG 3.32Å; V334-L381 HydrophobicContact CG1-CD1 3.63Å; V334-C384 HydrophobicContact CG1-CB 3.97Å; V334-C384 HydrophobicContact CG2-CB 4.28Å; V334-C388 HydrophobicContact CG2-CB 4.27Å
335	T	95.8	Very high	93.9	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.129	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.4	-180	71.8	0	0	0	0	113.1	D333 Q380 N536 N540	D333-T335 VanDerWaalsContact CG-OG1 3.24Å; D333-T335 PolarHBondContact O-N 2.99Å; D333-T335 WeakPolarHBondContact OD1-CB 3.37Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.14Å; D333-T335 PolarHBondContact OD1-N 3.41Å; D333-T335 PolarHBondContact OD1-OG1 3.21Å; D333-T335 PolarHBondContact OD2-OG1 3.07Å; T335-Q380 HydrophobicContact CG2-CG 4.24Å; T335-N536 PolarHBondContact O-ND2 2.87Å; T335-N540 PolarHBondContact O-ND2 2.7Å
336	K	94.1	Very high	93.9	Very high	74 Å²	74	35.5 Å²	35.5	32%	0.322	18%	0.178	S	C	.	.			trans	-93.6	123.9	178.7	-61.9	-175.4	-178.6	-178.8	0	111.3	E329 D331 D333 V334 S338 N339 L340	E329-K336 HydrophobicContact CG-CD 4.04Å; D331-K336 WeakPolarHBondContact OD2-CE 2.95Å; D331-K336 IonicContact OD2-NZ 3.87Å; D331-K336 PolarHBondContact OD2-NZ 3.43Å; D333-K336 HydrophobicContact CB-CD 4.08Å; D333-K336 HydrophobicContact CB-CG 4.12Å; D333-K336 PolarHBondContact O-N 3.42Å; D333-K336 WeakPolarHBondContact OD2-CE 3.31Å; V334-K336 PolarHBondContact O-N 2.91Å; K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.94Å; K336-N339 HydrophobicContact CB-CB 4.31Å; K336-N339 PolarHBondContact O-N 2.93Å; K336-N339 VanDerWaalsContact O-N 3.08Å; K336-L340 PolarHBondContact O-N 3.23Å; K336-L340 VanDerWaalsContact O-N 3.15Å
337	W	93.6	Very high	93.9	Very high	58 Å²	58	32.6 Å²	32.6	22%	0.22	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-42.1	176.4	172	88.3	0	0	0	112.7	N339 L340 A341 C457 L458 A460	W337-N339 PolarHBondContact O-N 3.35Å; W337-L340 PolarHBondContact O-N 2.99Å; W337-A341 HydrophobicContact CH2-CB 4.18Å; W337-A341 HydrophobicContact CZ2-CB 3.91Å; W337-A341 WeakPolarHBondContact O-CB 3.18Å; W337-A341 PolarHBondContact O-N 3.28Å; W337-C457 PolarHBondContact NE1-SG 3.33Å; W337-C457 VanDerWaalsContact NE1-SG 3.37Å; W337-L458 PolarHBondContact NE1-O 3.33Å; W337-A460 HydrophobicContact CD2-CB 4.4Å; W337-A460 HydrophobicContact CE3-CB 4.11Å; W337-A460 HydrophobicContact CH2-CB 3.41Å; W337-A460 VanDerWaalsContact CH2-CB 3.41Å; W337-A460 HydrophobicContact CZ2-CB 3.7Å; W337-A460 VanDerWaalsContact CZ2-N 3.26Å; W337-A460 HydrophobicContact CZ3-CB 3.62Å
338	S	92.3	Very high	94.1	Very high	26 Å²	26	32.1 Å²	32.1	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-32.5	-178.9	57.8	0	0	0	0	112.6	E329 K336 S342	E329-S338 WeakPolarHBondContact CG-OG 3.28Å; E329-S338 PolarHBondContact OE1-OG 3.15Å; K336-S338 VanDerWaalsContact C-N 3.27Å; K336-S338 PolarHBondContact O-N 2.94Å; S338-S342 WeakPolarHBondContact O-CB 3.41Å; S338-S342 PolarHBondContact O-N 2.99Å; S338-S342 VanDerWaalsContact O-N 3.11Å
339	N	93.7	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-74.4	-43.8	174.7	-70.1	-17.8	0	0	0	112.1	G327 A328 E329 D331 D333 K336 W337 S342 F343	G327-N339 WeakPolarHBondContact CA-OD1 3.09Å; A328-N339 PolarHBondContact N-OD1 2.93Å; E329-N339 PolarHBondContact N-OD1 2.97Å; D331-N339 PolarHBondContact OD1-ND2 3.24Å; D333-N339 PolarHBondContact N-ND2 3.46Å; D333-N339 WeakPolarHBondContact O-CB 3.28Å; D333-N339 PolarHBondContact O-ND2 2.87Å; K336-N339 HydrophobicContact CB-CB 4.31Å; K336-N339 PolarHBondContact O-N 2.93Å; K336-N339 VanDerWaalsContact O-N 3.08Å; W337-N339 PolarHBondContact O-N 3.35Å; N339-S342 PolarHBondContact O-N 3.49Å; N339-F343 WeakPolarHBondContact O-CB 3.21Å; N339-F343 PolarHBondContact O-N 3.09Å
340	L	94.2	Very high	94.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-48.4	175.2	-69.2	174.1	0	0	0	111.7	V334 K336 W337 S342 F343 A344 L387 C388 I391	V334-L340 HydrophobicContact CG2-CD2 3.72Å; V334-L340 WeakPolarHBondContact O-CG 3.32Å; K336-L340 PolarHBondContact O-N 3.23Å; K336-L340 VanDerWaalsContact O-N 3.15Å; W337-L340 PolarHBondContact O-N 2.99Å; L340-S342 PolarHBondContact O-N 2.91Å; L340-F343 PolarHBondContact O-N 3.01Å; L340-A344 WeakPolarHBondContact O-CB 3.4Å; L340-A344 PolarHBondContact O-N 3.38Å; L340-L387 HydrophobicContact CD1-CD2 3.73Å; L340-L387 HydrophobicContact CD1-CG 4.28Å; L340-C388 HydrophobicContact CD2-CB 3.77Å; L340-I391 HydrophobicContact CB-CD1 4.42Å
341	A	93.2	Very high	94.4	Very high	12 Å²	12	19.2 Å²	19.2	10%	0.099	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-42.2	178.2	0	0	0	0	0	111.9	W337 A344 S345 C457 I515	W337-A341 HydrophobicContact CH2-CB 4.18Å; W337-A341 HydrophobicContact CZ2-CB 3.91Å; W337-A341 WeakPolarHBondContact O-CB 3.18Å; W337-A341 PolarHBondContact O-N 3.28Å; A341-A344 PolarHBondContact O-N 3.41Å; A341-S345 WeakPolarHBondContact O-CB 3.32Å; A341-S345 PolarHBondContact O-N 3.37Å; A341-C457 HydrophobicContact CB-CB 4.11Å; A341-I515 HydrophobicContact CB-CD1 4.41Å
342	S	93.5	Very high	94.2	Very high	30 Å²	30	24.4 Å²	24.4	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-41.2	176.7	-178.2	0	0	0	0	112.3	H325 A328 S338 N339 L340 S345 F346	H325-S342 PolarHBondContact CE1-OG 3.25Å; H325-S342 PolarHBondContact NE2-O 3.13Å; H325-S342 PolarHBondContact NE2-OG 3.18Å; A328-S342 PolarHBondContact N-OG 3.29Å; S338-S342 WeakPolarHBondContact O-CB 3.41Å; S338-S342 PolarHBondContact O-N 2.99Å; S338-S342 VanDerWaalsContact O-N 3.11Å; N339-S342 PolarHBondContact O-N 3.49Å; L340-S342 PolarHBondContact O-N 2.91Å; S342-S345 PolarHBondContact O-N 2.9Å; S342-F346 PolarHBondContact O-N 3.04Å
343	F	95.5	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.2	-41.8	176	-169.4	-120.2	0	0	0	112	A223 I225 F299 G300 L301 H325 N339 L340 S345 F346 I347	A223-F343 HydrophobicContact CB-CE1 4.25Å; A223-F343 HydrophobicContact CB-CZ 4.16Å; I225-F343 HydrophobicContact CG2-CE1 3.89Å; I225-F343 HydrophobicContact CG2-CZ 4.23Å; F299-F343 HydrophobicContact CB-CE2 3.99Å; F299-F343 HydrophobicContact CB-CZ 3.95Å; G300-F343 WeakPolarHBondContact O-CE2 2.97Å; L301-F343 HydrophobicContact CB-CD1 4.4Å; L301-F343 HydrophobicContact CB-CD2 4.02Å; L301-F343 HydrophobicContact CB-CE1 4.26Å; L301-F343 HydrophobicContact CB-CE2 3.88Å; L301-F343 HydrophobicContact CB-CG 4.28Å; L301-F343 HydrophobicContact CB-CZ 4Å; L301-F343 HydrophobicContact CD2-CB 4.33Å; L301-F343 HydrophobicContact CD2-CD1 4.22Å; L301-F343 HydrophobicContact CD2-CG 4.19Å; H325-F343 HydrophobicContact CB-CD2 4.05Å; H325-F343 HydrophobicContact CB-CE2 4.35Å; H325-F343 AromaticContact CD2-CD2 3.87Å; N339-F343 WeakPolarHBondContact O-CB 3.21Å; N339-F343 PolarHBondContact O-N 3.09Å; L340-F343 PolarHBondContact O-N 3.01Å; F343-S345 VanDerWaalsContact C-N 3.35Å; F343-S345 PolarHBondContact O-N 2.85Å; F343-F346 HydrophobicContact CD2-CD1 4.5Å; F343-F346 WeakPolarHBondContact O-CB 3.28Å; F343-F346 PolarHBondContact O-N 3.34Å; F343-F346 VanDerWaalsContact O-N 3.15Å; F343-I347 HydrophobicContact CD1-CD1 3.9Å; F343-I347 HydrophobicContact CE1-CD1 3.47Å; F343-I347 VanDerWaalsContact CE1-CD1 3.47Å; F343-I347 HydrophobicContact CE2-CD1 4.3Å; F343-I347 HydrophobicContact CG-CD1 4.49Å; F343-I347 HydrophobicContact CZ-CD1 3.7Å; F343-I347 HydrophobicContact CZ-CG1 4.45Å; F343-I347 PolarHBondContact O-N 3.45Å
344	A	95.7	Very high	94.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-42.2	174.1	0	0	0	0	0	112.6	L340 A341 F346 I347 G348 I391 N392 M454 C457	L340-A344 WeakPolarHBondContact O-CB 3.4Å; L340-A344 PolarHBondContact O-N 3.38Å; A341-A344 PolarHBondContact O-N 3.41Å; A344-F346 VanDerWaalsContact C-N 3.31Å; A344-F346 PolarHBondContact O-N 2.9Å; A344-I347 PolarHBondContact O-N 3.09Å; A344-G348 PolarHBondContact O-N 3.31Å; A344-I391 HydrophobicContact CB-CG2 3.55Å; A344-N392 VanDerWaalsContact CA-OD1 3.26Å; A344-N392 WeakPolarHBondContact CA-OD1 3.4Å; A344-M454 HydrophobicContact CB-CE 3.96Å; A344-C457 HydrophobicContact CB-CB 4.49Å
345	S	93.6	Very high	94.2	Very high	8 Å²	8	26.4 Å²	26.4	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-36.2	175	-169	0	0	0	0	112.4	A341 S342 F343 R349 S510 F513	A341-S345 WeakPolarHBondContact O-CB 3.32Å; A341-S345 PolarHBondContact O-N 3.37Å; S342-S345 PolarHBondContact O-N 2.9Å; F343-S345 VanDerWaalsContact C-N 3.35Å; F343-S345 PolarHBondContact O-N 2.85Å; S345-R349 WeakPolarHBondContact O-CG 3.47Å; S345-R349 PolarHBondContact O-N 2.99Å; S345-R349 VanDerWaalsContact O-N 3.17Å; S345-R349 PolarHBondContact O-NE 3.36Å; S345-S510 PolarHBondContact OG-O 2.96Å; S345-F513 WeakPolarHBondContact CA-O 3.42Å; S345-F513 VanDerWaalsContact CB-O 3.27Å; S345-F513 WeakPolarHBondContact CB-O 3.43Å; S345-F513 WeakPolarHBondContact OG-CB 3.37Å; S345-F513 PolarHBondContact OG-O 3.1Å
346	F	94.7	Very high	94.3	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.018	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-46.2	176.1	177.4	-121.3	0	0	0	112.5	F299 M323 H325 S342 F343 A344 S350 F800 P801	F299-F346 HydrophobicContact CB-CE1 4.34Å; F299-F346 HydrophobicContact CD1-CD1 4.06Å; F299-F346 AromaticContact CD1-CE1 3.52Å; F299-F346 HydrophobicContact CD1-CE1 3.52Å; F299-F346 HydrophobicContact CD1-CZ 4.1Å; F299-F346 HydrophobicContact CE1-CE1 4.33Å; F299-F346 HydrophobicContact CG-CE1 4.36Å; M323-F346 HydrophobicContact CB-CZ 4.15Å; M323-F346 HydrophobicContact CG-CZ 3.91Å; M323-F346 HydrophobicContact SD-CE2 4.23Å; M323-F346 HydrophobicContact SD-CZ 3.8Å; H325-F346 HydrophobicContact CB-CD1 3.65Å; H325-F346 HydrophobicContact CB-CE1 3.82Å; H325-F346 HydrophobicContact CB-CG 4.29Å; H325-F346 AromaticContact CG-CD1 3.85Å; H325-F346 AromaticContact ND1-CG 4Å; S342-F346 PolarHBondContact O-N 3.04Å; F343-F346 HydrophobicContact CD2-CD1 4.5Å; F343-F346 WeakPolarHBondContact O-CB 3.28Å; F343-F346 PolarHBondContact O-N 3.34Å; F343-F346 VanDerWaalsContact O-N 3.15Å; A344-F346 VanDerWaalsContact C-N 3.31Å; A344-F346 PolarHBondContact O-N 2.9Å; F346-S350 WeakPolarHBondContact O-CB 3.23Å; F346-S350 PolarHBondContact O-N 3.19Å; F346-S350 PolarHBondContact O-OG 3.11Å; F346-F800 HydrophobicContact CE2-CB 4.29Å; F346-F800 HydrophobicContact CE2-CD1 4.38Å; F346-F800 HydrophobicContact CZ-CB 4.3Å; F346-F800 AromaticContact CZ-CD1 3.72Å; F346-F800 HydrophobicContact CZ-CD1 3.72Å; F346-F800 HydrophobicContact CZ-CG 4.4Å; F346-P801 HydrophobicContact CD2-CB 4.48Å
347	I	96.3	Very high	94.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-46	175.7	-71.2	176.6	0	0	0	110.8	A223 F299 F343 A344 R349 S350 T351 V356 N392 M454	A223-I347 HydrophobicContact CB-CD1 4.16Å; F299-I347 HydrophobicContact CB-CD1 4.29Å; F299-I347 HydrophobicContact CB-CG1 4.1Å; F299-I347 HydrophobicContact CD1-CG1 4.43Å; F299-I347 HydrophobicContact CD2-CD1 4.33Å; F299-I347 HydrophobicContact CD2-CG1 3.91Å; F299-I347 HydrophobicContact CE2-CG1 4.48Å; F299-I347 HydrophobicContact CG-CD1 4.45Å; F299-I347 HydrophobicContact CG-CG1 3.89Å; F343-I347 HydrophobicContact CD1-CD1 3.9Å; F343-I347 HydrophobicContact CE1-CD1 3.47Å; F343-I347 VanDerWaalsContact CE1-CD1 3.47Å; F343-I347 HydrophobicContact CE2-CD1 4.3Å; F343-I347 HydrophobicContact CG-CD1 4.49Å; F343-I347 HydrophobicContact CZ-CD1 3.7Å; F343-I347 HydrophobicContact CZ-CG1 4.45Å; F343-I347 PolarHBondContact O-N 3.45Å; A344-I347 PolarHBondContact O-N 3.09Å; I347-R349 VanDerWaalsContact C-N 3.33Å; I347-R349 PolarHBondContact O-N 3.42Å; I347-S350 CarbonylContact O-C 3.59Å; I347-S350 PolarHBondContact O-N 3.37Å; I347-T351 HydrophobicContact CG2-CG2 4.13Å; I347-T351 WeakPolarHBondContact O-CB 3.49Å; I347-T351 WeakPolarHBondContact O-CG2 3.5Å; I347-T351 PolarHBondContact O-N 3.4Å; I347-T351 PolarHBondContact O-OG1 3.2Å; I347-V356 HydrophobicContact CD1-CG1 4.2Å; I347-V356 HydrophobicContact CG2-CG1 3.99Å; I347-N392 HydrophobicContact CD1-CB 4Å; I347-M454 HydrophobicContact CG2-CE 4.41Å; I347-M454 HydrophobicContact CG2-SD 4Å
348	G	94.7	Very high	94.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.8	-45.5	179.8	0	0	0	0	0	112.2	A344 S350 T351 N352 N353	A344-G348 PolarHBondContact O-N 3.31Å; G348-S350 VanDerWaalsContact C-N 3.3Å; G348-S350 PolarHBondContact O-N 3.45Å; G348-T351 PolarHBondContact O-N 3.02Å; G348-N352 PolarHBondContact O-N 3.17Å; G348-N352 VanDerWaalsContact O-N 3.1Å; G348-N353 PolarHBondContact O-N 3.06Å
349	R	91.6	Very high	95.1	Very high	66 Å²	66	18.7 Å²	18.7	25%	0.249	10%	0.104	C	C	.	.	H	α-helix	trans	-66.1	-29.7	175	-71.9	-177.2	-65.6	153.9	-2	113.9	S345 I347 F513 P801 N802	S345-R349 WeakPolarHBondContact O-CG 3.47Å; S345-R349 PolarHBondContact O-N 2.99Å; S345-R349 VanDerWaalsContact O-N 3.17Å; S345-R349 PolarHBondContact O-NE 3.36Å; I347-R349 VanDerWaalsContact C-N 3.33Å; I347-R349 PolarHBondContact O-N 3.42Å; R349-F513 HydrophobicContact CG-CB 4.16Å; R349-F513 HydrophobicContact CG-CD1 3.87Å; R349-F513 HydrophobicContact CG-CD2 4.01Å; R349-F513 HydrophobicContact CG-CE1 4.25Å; R349-F513 HydrophobicContact CG-CE2 4.38Å; R349-F513 HydrophobicContact CG-CG 3.74Å; R349-F513 HydrophobicContact CG-CZ 4.48Å; R349-P801 HydrophobicContact CB-CB 4.29Å; R349-P801 HydrophobicContact CB-CG 3.82Å; R349-N802 VanDerWaalsContact NH1-CG 3.33Å; R349-N802 PolarHBondContact NH1-ND2 3.43Å; R349-N802 PolarHBondContact NH1-OD1 2.88Å
350	S	94.2	Very high	95.3	Very high	13 Å²	13	18.7 Å²	18.7	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-84.9	-18	-178	-58.6	0	0	0	0	113.8	F299 F346 I347 G348 P801	F299-S350 WeakPolarHBondContact CE1-OG 3.39Å; F299-S350 VanDerWaalsContact CZ-CB 3.44Å; F346-S350 WeakPolarHBondContact O-CB 3.23Å; F346-S350 PolarHBondContact O-N 3.19Å; F346-S350 PolarHBondContact O-OG 3.11Å; I347-S350 CarbonylContact O-C 3.59Å; I347-S350 PolarHBondContact O-N 3.37Å; G348-S350 VanDerWaalsContact C-N 3.3Å; G348-S350 PolarHBondContact O-N 3.45Å; S350-P801 WeakPolarHBondContact OG-CD 3.25Å; S350-P801 WeakPolarHBondContact OG-CG 3.21Å
351	T	94.5	Very high	95.5	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.043	10%	0.104	C	C	.	.	H	α-helix	trans	-121.9	9.6	-172.9	61.6	0	0	0	0	112.9	Y221 F299 I347 G348 N353 A354 G355	Y221-T351 HydrophobicContact CD1-CG2 3.65Å; Y221-T351 HydrophobicContact CD2-CG2 4.44Å; Y221-T351 HydrophobicContact CE1-CG2 4.01Å; Y221-T351 HydrophobicContact CG-CG2 3.86Å; F299-T351 HydrophobicContact CE2-CG2 4.11Å; F299-T351 HydrophobicContact CZ-CG2 4.16Å; I347-T351 HydrophobicContact CG2-CG2 4.13Å; I347-T351 WeakPolarHBondContact O-CB 3.49Å; I347-T351 WeakPolarHBondContact O-CG2 3.5Å; I347-T351 PolarHBondContact O-N 3.4Å; I347-T351 PolarHBondContact O-OG1 3.2Å; G348-T351 PolarHBondContact O-N 3.02Å; T351-N353 PolarHBondContact O-N 3.32Å; T351-A354 VanDerWaalsContact O-CB 3.22Å; T351-A354 WeakPolarHBondContact O-CB 3.38Å; T351-A354 PolarHBondContact O-N 2.92Å; T351-G355 PolarHBondContact OG1-N 3.16Å; T351-G355 VanDerWaalsContact OG1-N 3.15Å
352	N	91.4	Very high	95.4	Very high	147 Å²	147	19.5 Å²	19.5	79%	0.786	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	44	-171.9	-61.2	-33.1	0	0	0	112.3	G348 A354	G348-N352 PolarHBondContact O-N 3.17Å; G348-N352 VanDerWaalsContact O-N 3.1Å; N352-A354 PolarHBondContact O-N 3.01Å; N352-A354 VanDerWaalsContact O-N 3.1Å
353	N	92.7	Very high	95	Very high	58 Å²	58	18.1 Å²	18.1	31%	0.31	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	1.6	-174.3	-55.9	-45.9	0	0	0	115.7	G348 T351 G355 T453 M454	G348-N353 PolarHBondContact O-N 3.06Å; T351-N353 PolarHBondContact O-N 3.32Å; N353-G355 PolarHBondContact O-N 3.07Å; N353-T453 HydrophobicContact CB-CG2 4.38Å; N353-T453 WeakPolarHBondContact O-CB 3.3Å; N353-M454 WeakPolarHBondContact O-CG 3.25Å; N353-M454 PolarHBondContact O-N 2.85Å
354	A	95.2	Very high	94.4	Very high	30 Å²	30	20.1 Å²	20.1	25%	0.248	12%	0.118	C	C	.	.			trans	-60.2	-36.8	179.1	0	0	0	0	0	111.9	T351 N352 R394 M454	T351-A354 VanDerWaalsContact O-CB 3.22Å; T351-A354 WeakPolarHBondContact O-CB 3.38Å; T351-A354 PolarHBondContact O-N 2.92Å; N352-A354 PolarHBondContact O-N 3.01Å; N352-A354 VanDerWaalsContact O-N 3.1Å; A354-R394 WeakPolarHBondContact O-CA 3.45Å; A354-R394 WeakPolarHBondContact O-CB 3.45Å; A354-M454 PolarHBondContact O-N 2.95Å; A354-M454 VanDerWaalsContact O-N 3.13Å
355	G	97.2	Very high	93.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.			trans	93.7	178	-172.7	0	0	0	0	0	113.1	T351 N353 N392 R394	T351-G355 PolarHBondContact OG1-N 3.16Å; T351-G355 VanDerWaalsContact OG1-N 3.15Å; N353-G355 PolarHBondContact O-N 3.07Å; G355-N392 VanDerWaalsContact CA-O 3.28Å; G355-N392 WeakPolarHBondContact CA-O 3.32Å; G355-R394 PolarHBondContact O-NE 3.35Å; G355-R394 PolarHBondContact O-NH2 3.4Å
356	V	98.8	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	149.5	177.3	-64.7	0	0	0	0	111.4	A223 F299 I347 I358 L359 N392 L393 R394	A223-V356 HydrophobicContact CB-CG1 4.17Å; A223-V356 HydrophobicContact CB-CG2 4.13Å; F299-V356 HydrophobicContact CD2-CG1 3.74Å; F299-V356 HydrophobicContact CE2-CG1 3.9Å; I347-V356 HydrophobicContact CD1-CG1 4.2Å; I347-V356 HydrophobicContact CG2-CG1 3.99Å; V356-I358 WeakPolarHBondContact CG2-O 3.34Å; V356-L359 HydrophobicContact CG2-CB 4.22Å; V356-L359 HydrophobicContact CG2-CD1 4.49Å; V356-N392 HydrophobicContact CG2-CB 4.49Å; V356-N392 PolarHBondContact N-O 3.26Å; V356-L393 HydrophobicContact CG2-CD2 4.09Å; V356-R394 WeakPolarHBondContact O-CG 3.33Å; V356-R394 PolarHBondContact O-N 2.91Å
357	H	98.8	Very high	92.5	Very high	18 Å²	18	29.5 Å²	29.5	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-37.7	173.9	-59.7	92.4	0	0	0	111.3	A213 I219 L220 Y221 R394 G397 H398	A213-H357 HydrophobicContact CB-CB 3.87Å; A213-H357 PolarHBondContact O-CD2 3.24Å; I219-H357 PolarHBondContact O-CE1 2.95Å; I219-H357 VanDerWaalsContact O-CE1 3.23Å; L220-H357 HydrophobicContact CD1-CB 3.92Å; Y221-H357 AromaticContact CD2-CE1 3.86Å; Y221-H357 PolarHBondContact N-ND1 3.43Å; Y221-H357 VanDerWaalsContact N-ND1 3.17Å; Y221-H357 PolarHBondContact O-N 3.36Å; Y221-H357 PolarHBondContact O-ND1 3.24Å; H357-R394 PolarHBondContact CE1-NH1 2.97Å; H357-R394 VanDerWaalsContact CE1-NH1 3.33Å; H357-R394 PolarHBondContact CE1-NH2 3.25Å; H357-R394 PolarHBondContact NE2-NH1 3.43Å; H357-G397 CarbonylContact O-C 3.49Å; H357-G397 WeakPolarHBondContact O-CA 3.21Å; H357-H398 PolarHBondContact O-N 2.82Å
358	I	98.8	Very high	91.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.7	179.5	70.7	-178.8	0	0	0	109.7	F210 A213 F222 A223 T236 V356 M360 H398	F210-I358 HydrophobicContact CB-CD1 4.09Å; F210-I358 HydrophobicContact CB-CG2 4.21Å; F210-I358 HydrophobicContact CD1-CB 4.4Å; F210-I358 HydrophobicContact CD1-CG2 4.16Å; F210-I358 WeakPolarHBondContact O-CG2 3.45Å; A213-I358 HydrophobicContact CB-CG2 3.78Å; F222-I358 CarbonylContact C-O 3.56Å; F222-I358 VanDerWaalsContact CA-O 3.26Å; F222-I358 WeakPolarHBondContact CA-O 3.18Å; F222-I358 HydrophobicContact CB-CD1 3.64Å; F222-I358 HydrophobicContact CB-CG1 3.23Å; F222-I358 HydrophobicContact CG-CD1 4.45Å; F222-I358 HydrophobicContact CG-CG1 4.44Å; A223-I358 PolarHBondContact N-O 3.36Å; T236-I358 HydrophobicContact CG2-CD1 3.95Å; V356-I358 WeakPolarHBondContact CG2-O 3.34Å; I358-M360 HydrophobicContact CD1-CE 4.38Å; I358-M360 HydrophobicContact CD1-SD 4.22Å; I358-H398 WeakPolarHBondContact CA-O 3.37Å; I358-H398 HydrophobicContact CG2-CB 4.34Å
359	L	98.8	Very high	90.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.3	167.8	-169.3	145.7	0	0	0	108.1	A223 I225 V356 A389 N392 L393 H398 F399 L400	A223-L359 HydrophobicContact CB-CB 4.45Å; A223-L359 HydrophobicContact CB-CD1 3.85Å; A223-L359 HydrophobicContact CB-CG 3.92Å; A223-L359 WeakPolarHBondContact O-CA 3.25Å; I225-L359 HydrophobicContact CD1-CD2 3.84Å; I225-L359 HydrophobicContact CG1-CD2 4.09Å; V356-L359 HydrophobicContact CG2-CB 4.22Å; V356-L359 HydrophobicContact CG2-CD1 4.49Å; L359-A389 HydrophobicContact CD2-CB 3.93Å; L359-N392 HydrophobicContact CD1-CB 4.01Å; L359-L393 HydrophobicContact CB-CD2 3.96Å; L359-L393 HydrophobicContact CB-CG 4.16Å; L359-H398 PolarHBondContact N-O 3.09Å; L359-F399 HydrophobicContact CB-CD2 4.32Å; L359-F399 HydrophobicContact CD2-CD2 3.62Å; L359-F399 HydrophobicContact CD2-CE2 3.44Å; L359-F399 VanDerWaalsContact CD2-CE2 3.44Å; L359-F399 WeakPolarHBondContact O-CA 3.28Å; L359-F399 WeakPolarHBondContact O-CD2 3.13Å; L359-L400 PolarHBondContact O-N 3.02Å
360	M	98.7	Very high	89.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.7	-178.7	-55.6	168.4	-65.1	0	0	109	M199 F222 A223 D224 I225 F232 T236 I358 L400	M199-M360 HydrophobicContact CE-CG 4.3Å; M199-M360 HydrophobicContact CE-SD 3.56Å; M199-M360 VanDerWaalsContact CE-SD 3.56Å; M199-M360 HydrophobicContact CG-SD 4.22Å; M199-M360 HydrophobicContact SD-CG 4.36Å; M199-M360 HydrophobicContact SD-SD 3.63Å; M199-M360 VanDerWaalsContact SD-SD 3.63Å; F222-M360 HydrophobicContact CD2-CE 3.57Å; F222-M360 HydrophobicContact CE2-CE 4.06Å; F222-M360 HydrophobicContact CG-CE 4.41Å; A223-M360 PolarHBondContact O-N 2.67Å; D224-M360 WeakPolarHBondContact CA-O 3.5Å; D224-M360 HydrophobicContact CB-CE 4.29Å; I225-M360 PolarHBondContact N-O 2.93Å; F232-M360 HydrophobicContact CB-CE 4.14Å; F232-M360 HydrophobicContact CB-SD 4.08Å; F232-M360 HydrophobicContact CD2-CB 3.86Å; T236-M360 WeakPolarHBondContact OG1-CE 3.42Å; I358-M360 HydrophobicContact CD1-CE 4.38Å; I358-M360 HydrophobicContact CD1-SD 4.22Å; M360-L400 CarbonylContact C-O 3.5Å; M360-L400 VanDerWaalsContact CA-O 3.31Å; M360-L400 WeakPolarHBondContact CA-O 3.34Å; M360-L400 HydrophobicContact CG-CD2 4.46Å
361	A	97.5	Very high	89	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	123.8	-179.2	0	0	0	0	0	111.3	I225 Q385 F399 L400 T401 K402	I225-A361 HydrophobicContact CD1-CB 4.01Å; I225-A361 HydrophobicContact CG1-CB 3.48Å; I225-A361 VanDerWaalsContact CG1-CB 3.48Å; I225-A361 WeakPolarHBondContact O-CA 3.3Å; A361-Q385 HydrophobicContact CB-CB 4.08Å; A361-Q385 HydrophobicContact CB-CG 3.91Å; A361-F399 HydrophobicContact CB-CE2 4.25Å; A361-L400 PolarHBondContact N-O 3.03Å; A361-T401 WeakPolarHBondContact O-CA 3.5Å; A361-K402 PolarHBondContact O-N 2.96Å
362	D	92.3	Very high	88.9	Confident	29 Å²	29	37 Å²	37	16%	0.155	21%	0.209	C	C	.	.			trans	-112.8	25.1	-177.6	-156.3	43.2	0	0	0	112.9	I225 C226 F232 G364 K402	I225-D362 PolarHBondContact O-N 3.48Å; C226-D362 CarbonylContact O-C 3.51Å; F232-D362 HydrophobicContact CD2-CB 4.09Å; F232-D362 HydrophobicContact CE2-CB 3.63Å; F232-D362 HydrophobicContact CZ-CB 4.02Å; F232-D362 WeakPolarHBondContact CZ-OD1 3.36Å; D362-G364 PolarHBondContact O-N 3.26Å; D362-K402 PolarHBondContact O-NZ 2.64Å; D362-K402 WeakPolarHBondContact OD1-CE 3.43Å; D362-K402 IonicContact OD1-NZ 2.72Å; D362-K402 PolarHBondContact OD1-NZ 3.22Å; D362-K402 IonicContact OD2-NZ 2.66Å; D362-K402 PolarHBondContact OD2-NZ 3.46Å
363	G	83.7	Confident	88.9	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.01	18%	0.177	C	C	.	.			trans	-60.2	131	-168.8	0	0	0	0	0	114.5	C226 Q385	C226-G363 VanDerWaalsContact CB-CA 3.48Å; G363-Q385 VanDerWaalsContact CA-OE1 3.25Å
364	G	83.6	Confident	89	Confident	42 Å²	42	29.8 Å²	29.8	43%	0.433	17%	0.169	S	C	.	.			trans	-170.6	159.4	172.3	0	0	0	0	0	110	D362	D362-G364 PolarHBondContact O-N 3.26Å
365	F	84.1	Confident	89	Confident	86 Å²	86	28.4 Å²	28.4	38%	0.377	16%	0.158	S	C	.	.			trans	-138.7	164.5	176.1	52.7	-91.1	0	0	0	109.8	V367 M377 L381	F365-V367 HydrophobicContact CD2-CG1 3.94Å; F365-V367 HydrophobicContact CE2-CG1 3.63Å; F365-V367 HydrophobicContact CZ-CG1 4.48Å; F365-V367 PolarHBondContact O-N 3.05Å; F365-M377 HydrophobicContact CE2-CB 3.92Å; F365-M377 HydrophobicContact CE2-CE 4.11Å; F365-M377 HydrophobicContact CZ-CB 3.67Å; F365-M377 WeakPolarHBondContact CZ-O 3.02Å; F365-L381 HydrophobicContact CD1-CD2 4.34Å
366	D	79.9	Confident	88.9	Confident	118 Å²	118	29.4 Å²	29.4	63%	0.631	16%	0.164	S	C	*	.			trans	-67.9	121.7	-179.4	-173.2	19.9	0	0	0	110.7	S368	D366-S368 VanDerWaalsContact CG-OG 3.24Å; D366-S368 WeakPolarHBondContact OD1-CA 3.45Å; D366-S368 WeakPolarHBondContact OD1-CB 3.32Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 2.95Å; D366-S368 WeakPolarHBondContact OD2-CB 3.36Å; D366-S368 PolarHBondContact OD2-OG 2.9Å
367	V	80.8	Confident	88.7	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.18	C	C	.	.			trans	-111.9	30	176.8	-66.3	0	0	0	0	110.7	F365 S369 Q370 Y371 Q374 M377	F365-V367 HydrophobicContact CD2-CG1 3.94Å; F365-V367 HydrophobicContact CE2-CG1 3.63Å; F365-V367 HydrophobicContact CZ-CG1 4.48Å; F365-V367 PolarHBondContact O-N 3.05Å; V367-S369 PolarHBondContact O-N 2.91Å; V367-Q370 CarbonylContact O-C 3.53Å; V367-Q370 PolarHBondContact O-N 3.23Å; V367-Y371 HydrophobicContact CG2-CD1 3.8Å; V367-Y371 HydrophobicContact CG2-CE1 4.28Å; V367-Y371 HydrophobicContact CG2-CG 4.41Å; V367-Y371 PolarHBondContact O-N 2.95Å; V367-Q374 HydrophobicContact CG1-CB 4.47Å; V367-Q374 HydrophobicContact CG1-CG 4.16Å; V367-Q374 HydrophobicContact CG2-CB 4.1Å; V367-Q374 HydrophobicContact CG2-CG 3.94Å; V367-M377 HydrophobicContact CB-SD 4.25Å; V367-M377 HydrophobicContact CG1-CE 4.3Å; V367-M377 HydrophobicContact CG1-SD 3.76Å
368	S	69.9	Low	88.5	Confident	46 Å²	46	32 Å²	32	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-7.7	-165.4	47.5	0	0	0	0	117.4	D366 Y371	D366-S368 VanDerWaalsContact CG-OG 3.24Å; D366-S368 WeakPolarHBondContact OD1-CA 3.45Å; D366-S368 WeakPolarHBondContact OD1-CB 3.32Å; D366-S368 PolarHBondContact OD1-N 3.43Å; D366-S368 PolarHBondContact OD1-OG 2.95Å; D366-S368 WeakPolarHBondContact OD2-CB 3.36Å; D366-S368 PolarHBondContact OD2-OG 2.9Å; S368-Y371 WeakPolarHBondContact O-CE2 3.3Å
369	S	68.9	Low	88.4	Confident	54 Å²	54	32.7 Å²	32.7	38%	0.378	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-10.1	172.4	53.8	0	0	0	0	115.3	G56 V367	G56-S369 CarbonylContact O-C 3.57Å; V367-S369 PolarHBondContact O-N 2.91Å
370	Q	79.6	Confident	88.3	Confident	52 Å²	52	33.1 Å²	33.1	24%	0.243	18%	0.182	C	C	.	.			trans	-148.2	49.2	-171.2	-68.3	-178.8	-21.6	0	0	111.4	V367 N372 L373 M377	V367-Q370 CarbonylContact O-C 3.53Å; V367-Q370 PolarHBondContact O-N 3.23Å; Q370-N372 PolarHBondContact O-N 3.48Å; Q370-N372 VanDerWaalsContact O-N 3.14Å; Q370-L373 HydrophobicContact CB-CB 4.31Å; Q370-L373 HydrophobicContact CB-CD1 4.4Å; Q370-L373 HydrophobicContact CG-CD1 4.49Å; Q370-L373 PolarHBondContact O-N 2.91Å; Q370-M377 HydrophobicContact CB-SD 4.06Å
371	Y	84.2	Confident	88.2	Confident	75 Å²	75	34.3 Å²	34.3	29%	0.294	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-55.1	-34.6	-177.6	-68.1	-82.6	0	0	0	113.8	R57 V367 S368 L373 Q374	R57-Y371 HydrophobicContact CG-CD2 3.92Å; V367-Y371 HydrophobicContact CG2-CD1 3.8Å; V367-Y371 HydrophobicContact CG2-CE1 4.28Å; V367-Y371 HydrophobicContact CG2-CG 4.41Å; V367-Y371 PolarHBondContact O-N 2.95Å; S368-Y371 WeakPolarHBondContact O-CE2 3.3Å; Y371-L373 VanDerWaalsContact C-N 3.26Å; Y371-L373 PolarHBondContact O-N 3.29Å; Y371-Q374 VanDerWaalsContact O-CB 3.28Å; Y371-Q374 WeakPolarHBondContact O-CB 3.41Å; Y371-Q374 PolarHBondContact O-N 3.39Å
372	N	91.4	Very high	88.2	Confident	17 Å²	17	34.4 Å²	34.4	9%	0.091	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-67.5	-29.9	178.7	-64.7	-2.8	0	0	0	111.2	L143 L159 N163 Q370 Q374	L143-N372 WeakPolarHBondContact CD1-O 3.38Å; L159-N372 HydrophobicContact CD2-CB 3.73Å; N163-N372 PolarHBondContact OD1-ND2 2.91Å; Q370-N372 PolarHBondContact O-N 3.48Å; Q370-N372 VanDerWaalsContact O-N 3.14Å; N372-Q374 VanDerWaalsContact C-N 3.28Å; N372-Q374 PolarHBondContact O-N 3.5Å
373	L	93	Very high	88.5	Confident	23 Å²	23	33 Å²	33	12%	0.12	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-89.2	14.6	178.2	-60.9	175.9	0	0	0	113.5	E141 L143 Q370 Y371 E375 V376 M377	E141-L373 WeakPolarHBondContact O-CD1 3.5Å; L143-L373 HydrophobicContact CG-CD2 4.32Å; Q370-L373 HydrophobicContact CB-CB 4.31Å; Q370-L373 HydrophobicContact CB-CD1 4.4Å; Q370-L373 HydrophobicContact CG-CD1 4.49Å; Q370-L373 PolarHBondContact O-N 2.91Å; Y371-L373 VanDerWaalsContact C-N 3.26Å; Y371-L373 PolarHBondContact O-N 3.29Å; L373-E375 PolarHBondContact O-N 3.08Å; L373-V376 HydrophobicContact CD2-CG2 4.32Å; L373-V376 PolarHBondContact O-N 3.28Å; L373-V376 VanDerWaalsContact O-N 3.15Å; L373-M377 HydrophobicContact CB-CG 4.34Å; L373-M377 HydrophobicContact CB-SD 4.5Å; L373-M377 VanDerWaalsContact O-CG 3.28Å; L373-M377 WeakPolarHBondContact O-CG 3.37Å; L373-M377 PolarHBondContact O-N 3.43Å
374	Q	93.8	Very high	89.2	Confident	30 Å²	30	33 Å²	33	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-37.3	-175.3	-173	173.8	36.5	0	0	112.8	V367 Y371 N372 S378 F404	V367-Q374 HydrophobicContact CG1-CB 4.47Å; V367-Q374 HydrophobicContact CG1-CG 4.16Å; V367-Q374 HydrophobicContact CG2-CB 4.1Å; V367-Q374 HydrophobicContact CG2-CG 3.94Å; Y371-Q374 VanDerWaalsContact O-CB 3.28Å; Y371-Q374 WeakPolarHBondContact O-CB 3.41Å; Y371-Q374 PolarHBondContact O-N 3.39Å; N372-Q374 VanDerWaalsContact C-N 3.28Å; N372-Q374 PolarHBondContact O-N 3.5Å; Q374-S378 WeakPolarHBondContact O-CB 3.08Å; Q374-S378 PolarHBondContact O-N 3.15Å; Q374-S378 VanDerWaalsContact O-N 3.07Å; Q374-S378 PolarHBondContact O-OG 3.22Å; Q374-F404 VanDerWaalsContact CD-CD1 3.42Å; Q374-F404 VanDerWaalsContact CD-CG 3.43Å; Q374-F404 HydrophobicContact CG-CB 4.25Å; Q374-F404 HydrophobicContact CG-CD1 4.24Å; Q374-F404 HydrophobicContact CG-CD2 3.47Å; Q374-F404 VanDerWaalsContact CG-CD2 3.47Å; Q374-F404 HydrophobicContact CG-CE2 3.83Å; Q374-F404 HydrophobicContact CG-CG 3.72Å; Q374-F404 HydrophobicContact CG-CZ 4.34Å; Q374-F404 VanDerWaalsContact NE2-CE1 3.33Å
375	E	95.4	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-56.9	173.7	177.9	179.4	175.1	0	0	111.4	L373 M377 S378 K379 Y382 D405 T406 F407 T408 T411	L373-E375 PolarHBondContact O-N 3.08Å; E375-M377 VanDerWaalsContact C-N 3.31Å; E375-M377 PolarHBondContact O-N 3.38Å; E375-S378 PolarHBondContact O-N 3.38Å; E375-K379 PolarHBondContact O-N 3Å; E375-K379 VanDerWaalsContact O-N 3.11Å; E375-Y382 HydrophobicContact CG-CE2 4.39Å; E375-D405 HydrophobicContact CB-CB 4.27Å; E375-D405 WeakPolarHBondContact CG-O 3.3Å; E375-D405 WeakPolarHBondContact OE2-CB 3.16Å; E375-T406 WeakPolarHBondContact OE1-CA 3.48Å; E375-T406 PolarHBondContact OE2-N 3.46Å; E375-F407 PolarHBondContact OE1-N 2.97Å; E375-F407 VanDerWaalsContact OE1-N 3.13Å; E375-F407 PolarHBondContact OE2-N 3.14Å; E375-T408 HydrophobicContact CG-CG2 4.33Å; E375-T408 WeakPolarHBondContact OE1-CB 3.38Å; E375-T408 PolarHBondContact OE1-N 2.99Å; E375-T408 PolarHBondContact OE1-OG1 3.46Å; E375-T411 WeakPolarHBondContact CG-OG1 3.5Å; E375-T411 VanDerWaalsContact OE1-CB 3.25Å; E375-T411 WeakPolarHBondContact OE1-CB 3.48Å; E375-T411 PolarHBondContact OE1-OG1 3.02Å
376	V	95.2	Very high	90.6	Very high	21 Å²	21	26.9 Å²	26.9	13%	0.127	14%	0.142	C	C	.	.	H	α-helix	trans	-56.4	-45.7	-178.5	-178.2	0	0	0	0	111	I140 L143 L373 S378 K379 T408	I140-V376 HydrophobicContact CB-CG1 4.2Å; I140-V376 HydrophobicContact CB-CG2 3.96Å; I140-V376 HydrophobicContact CD1-CG2 4.47Å; I140-V376 HydrophobicContact CG2-CG2 3.83Å; L143-V376 HydrophobicContact CD2-CG2 3.93Å; L373-V376 HydrophobicContact CD2-CG2 4.32Å; L373-V376 PolarHBondContact O-N 3.28Å; L373-V376 VanDerWaalsContact O-N 3.15Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 3.25Å; V376-K379 WeakPolarHBondContact O-CG 3.3Å; V376-K379 PolarHBondContact O-N 3.08Å; V376-T408 HydrophobicContact CG2-CG2 4.15Å
377	M	93.7	Very high	91.4	Very high	72 Å²	72	21.2 Å²	21.2	36%	0.355	11%	0.112	S	C	.	.	H	α-helix	trans	-66	-33.6	179.9	-62.4	177.8	80.8	0	0	111.7	F365 V367 Q370 L373 E375	F365-M377 HydrophobicContact CE2-CB 3.92Å; F365-M377 HydrophobicContact CE2-CE 4.11Å; F365-M377 HydrophobicContact CZ-CB 3.67Å; F365-M377 WeakPolarHBondContact CZ-O 3.02Å; V367-M377 HydrophobicContact CB-SD 4.25Å; V367-M377 HydrophobicContact CG1-CE 4.3Å; V367-M377 HydrophobicContact CG1-SD 3.76Å; Q370-M377 HydrophobicContact CB-SD 4.06Å; L373-M377 HydrophobicContact CB-CG 4.34Å; L373-M377 HydrophobicContact CB-SD 4.5Å; L373-M377 VanDerWaalsContact O-CG 3.28Å; L373-M377 WeakPolarHBondContact O-CG 3.37Å; L373-M377 PolarHBondContact O-N 3.43Å; E375-M377 VanDerWaalsContact C-N 3.31Å; E375-M377 PolarHBondContact O-N 3.38Å
378	S	95.2	Very high	92.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-86.4	-6.9	-175.8	-56.3	0	0	0	0	113.9	Q374 E375 V376 Q380 L381 Y382	Q374-S378 WeakPolarHBondContact O-CB 3.08Å; Q374-S378 PolarHBondContact O-N 3.15Å; Q374-S378 VanDerWaalsContact O-N 3.07Å; Q374-S378 PolarHBondContact O-OG 3.22Å; E375-S378 PolarHBondContact O-N 3.38Å; V376-S378 VanDerWaalsContact C-N 3.29Å; V376-S378 PolarHBondContact O-N 3.25Å; S378-Q380 VanDerWaalsContact C-N 3.34Å; S378-Q380 PolarHBondContact O-N 3.42Å; S378-L381 WeakPolarHBondContact O-CA 3Å; S378-L381 VanDerWaalsContact O-CB 3.25Å; S378-L381 WeakPolarHBondContact O-CB 3.25Å; S378-L381 PolarHBondContact O-N 2.91Å; S378-Y382 VanDerWaalsContact CB-CE1 3.5Å; S378-Y382 PolarHBondContact O-N 3.34Å
379	K	96.2	Very high	93.6	Very high	16 Å²	16	18.8 Å²	18.8	7%	0.07	10%	0.095	C	C	.	.	H	α-helix	trans	-55.4	-41.5	-169.9	82.7	-179.5	-166.4	176.6	0	114.8	E375 V376 L381 Y382 L383 F410 D556 V557	E375-K379 PolarHBondContact O-N 3Å; E375-K379 VanDerWaalsContact O-N 3.11Å; V376-K379 WeakPolarHBondContact O-CG 3.3Å; V376-K379 PolarHBondContact O-N 3.08Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 3.01Å; K379-Y382 WeakPolarHBondContact O-CB 3.42Å; K379-Y382 PolarHBondContact O-N 3.46Å; K379-L383 PolarHBondContact O-N 3.17Å; K379-L383 VanDerWaalsContact O-N 3.09Å; K379-F410 HydrophobicContact CB-CD1 3.65Å; K379-F410 HydrophobicContact CB-CE1 3.75Å; K379-F410 HydrophobicContact CD-CD1 4.13Å; K379-F410 HydrophobicContact CD-CE1 4.3Å; K379-F410 HydrophobicContact CD-CG 4.26Å; K379-F410 HydrophobicContact CG-CD1 4.13Å; K379-F410 HydrophobicContact CG-CE1 3.98Å; K379-F410 WeakPolarHBondContact O-CE1 3.33Å; K379-D556 IonicContact NZ-OD1 3.43Å; K379-D556 PolarHBondContact NZ-OD1 2.82Å; K379-D556 IonicContact NZ-OD2 2.83Å; K379-D556 PolarHBondContact NZ-OD2 3.38Å; K379-V557 PolarHBondContact NZ-O 3.48Å
380	Q	97.1	Very high	95	Very high	8 Å²	8	16.2 Å²	16.2	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-67.5	-34.6	177.7	-171.4	-177.6	14.8	0	0	111	T335 S378 L383 C384 N536 L539 N540 K543	T335-Q380 HydrophobicContact CG2-CG 4.24Å; S378-Q380 VanDerWaalsContact C-N 3.34Å; S378-Q380 PolarHBondContact O-N 3.42Å; Q380-L383 PolarHBondContact O-N 2.92Å; Q380-C384 WeakPolarHBondContact O-CB 3.49Å; Q380-C384 PolarHBondContact O-N 2.9Å; Q380-C384 PolarHBondContact O-SG 2.87Å; Q380-N536 PolarHBondContact NE2-OD1 3.02Å; Q380-L539 HydrophobicContact CB-CD1 3.99Å; Q380-L539 HydrophobicContact CG-CB 4.34Å; Q380-L539 HydrophobicContact CG-CD1 3.89Å; Q380-N540 PolarHBondContact NE2-OD1 3.3Å; Q380-K543 VanDerWaalsContact OE1-CE 3.25Å
381	L	96.2	Very high	95.8	Very high	26 Å²	26	13.8 Å²	13.8	14%	0.136	7%	0.065	C	C	.	.	H	α-helix	trans	-67.9	-40.5	176.9	-171	62.1	0	0	0	110.6	V334 F365 S378 K379 C384 Q385	V334-L381 HydrophobicContact CG1-CD1 3.63Å; F365-L381 HydrophobicContact CD1-CD2 4.34Å; S378-L381 WeakPolarHBondContact O-CA 3Å; S378-L381 VanDerWaalsContact O-CB 3.25Å; S378-L381 WeakPolarHBondContact O-CB 3.25Å; S378-L381 PolarHBondContact O-N 2.91Å; K379-L381 VanDerWaalsContact C-N 3.29Å; K379-L381 PolarHBondContact O-N 3.01Å; L381-C384 PolarHBondContact O-N 3.43Å; L381-Q385 HydrophobicContact CD1-CG 4.45Å; L381-Q385 HydrophobicContact CG-CG 4.43Å; L381-Q385 WeakPolarHBondContact O-CB 3.15Å; L381-Q385 WeakPolarHBondContact O-CG 3.38Å; L381-Q385 PolarHBondContact O-N 3.15Å; L381-Q385 PolarHBondContact O-NE2 2.94Å
382	Y	97.8	Very high	96.5	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	5%	0.051	C	C	.	.	H	α-helix	trans	-57.5	-50.5	173	-58.1	-20.2	0	0	0	111.5	E375 S378 K379 C384 Q385 C386 L403 F404 T411	E375-Y382 HydrophobicContact CG-CE2 4.39Å; S378-Y382 VanDerWaalsContact CB-CE1 3.5Å; S378-Y382 PolarHBondContact O-N 3.34Å; K379-Y382 WeakPolarHBondContact O-CB 3.42Å; K379-Y382 PolarHBondContact O-N 3.46Å; Y382-C384 PolarHBondContact O-N 2.83Å; Y382-Q385 PolarHBondContact O-N 2.83Å; Y382-C386 PolarHBondContact O-N 3.21Å; Y382-C386 PolarHBondContact O-SG 3.43Å; Y382-L403 HydrophobicContact CD1-CD2 3.74Å; Y382-L403 HydrophobicContact CD2-CD2 3.97Å; Y382-L403 HydrophobicContact CE1-CD2 3.93Å; Y382-L403 HydrophobicContact CE2-CD2 4.15Å; Y382-L403 HydrophobicContact CG-CD2 3.75Å; Y382-F404 HydrophobicContact CE1-CD2 4.36Å; Y382-F404 WeakPolarHBondContact OH-CB 3.2Å; Y382-F404 WeakPolarHBondContact OH-CD2 3.42Å; Y382-F404 PolarHBondContact OH-N 3.28Å; Y382-T411 HydrophobicContact CD2-CG2 4.23Å; Y382-T411 HydrophobicContact CE2-CG2 4.23Å
383	L	98.4	Very high	96.8	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-56.5	-48.8	177.7	-175.8	78.2	0	0	0	111.4	K379 Q380 C386 L387 F410 I414 F532 V535 N536 L539 I560	K379-L383 PolarHBondContact O-N 3.17Å; K379-L383 VanDerWaalsContact O-N 3.09Å; Q380-L383 PolarHBondContact O-N 2.92Å; L383-C386 PolarHBondContact O-N 3.09Å; L383-L387 VanDerWaalsContact O-CB 3.3Å; L383-L387 WeakPolarHBondContact O-CB 3.47Å; L383-L387 PolarHBondContact O-N 2.89Å; L383-F410 HydrophobicContact CB-CE1 4.47Å; L383-F410 HydrophobicContact CB-CZ 4.46Å; L383-F410 HydrophobicContact CD2-CZ 4.44Å; L383-I414 HydrophobicContact CB-CD1 3.99Å; L383-I414 HydrophobicContact CD1-CD1 4.07Å; L383-I414 HydrophobicContact CD1-CG1 4.23Å; L383-F532 HydrophobicContact CD1-CB 4.02Å; L383-F532 HydrophobicContact CD1-CD1 3.63Å; L383-F532 HydrophobicContact CD1-CD2 4.01Å; L383-F532 HydrophobicContact CD1-CE1 4.01Å; L383-F532 HydrophobicContact CD1-CE2 4.37Å; L383-F532 HydrophobicContact CD1-CG 3.61Å; L383-F532 HydrophobicContact CD1-CZ 4.37Å; L383-F532 HydrophobicContact CG-CB 4.42Å; L383-F532 HydrophobicContact CG-CG 4.43Å; L383-V535 HydrophobicContact CD1-CG1 4.43Å; L383-V535 HydrophobicContact CD2-CB 3.89Å; L383-V535 HydrophobicContact CD2-CG1 3.57Å; L383-N536 HydrophobicContact CD2-CB 3.92Å; L383-L539 HydrophobicContact CD2-CD1 4.16Å; L383-I560 HydrophobicContact CD1-CD1 4.36Å
384	C	98.3	Very high	97	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-71	-32.1	-176.6	-65.2	0	0	0	0	113	V334 Q380 L381 Y382 C388 N536	V334-C384 HydrophobicContact CG1-CB 3.97Å; V334-C384 HydrophobicContact CG2-CB 4.28Å; Q380-C384 WeakPolarHBondContact O-CB 3.49Å; Q380-C384 PolarHBondContact O-N 2.9Å; Q380-C384 PolarHBondContact O-SG 2.87Å; L381-C384 PolarHBondContact O-N 3.43Å; Y382-C384 PolarHBondContact O-N 2.83Å; C384-C388 VanDerWaalsContact O-CB 3.25Å; C384-C388 WeakPolarHBondContact O-CB 3.47Å; C384-C388 PolarHBondContact O-N 3.28Å; C384-N536 VanDerWaalsContact SG-CG 3.53Å; C384-N536 PolarHBondContact SG-OD1 3.19Å
385	Q	98.2	Very high	97.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.6	-45.8	172.9	-72.5	174	121.2	0	0	110.7	I225 A361 G363 L381 Y382 C388 A389 F399 T401	I225-Q385 HydrophobicContact CD1-CB 4.12Å; I225-Q385 HydrophobicContact CD1-CG 4.06Å; A361-Q385 HydrophobicContact CB-CB 4.08Å; A361-Q385 HydrophobicContact CB-CG 3.91Å; G363-Q385 VanDerWaalsContact CA-OE1 3.25Å; L381-Q385 HydrophobicContact CD1-CG 4.45Å; L381-Q385 HydrophobicContact CG-CG 4.43Å; L381-Q385 WeakPolarHBondContact O-CB 3.15Å; L381-Q385 WeakPolarHBondContact O-CG 3.38Å; L381-Q385 PolarHBondContact O-N 3.15Å; L381-Q385 PolarHBondContact O-NE2 2.94Å; Y382-Q385 PolarHBondContact O-N 2.83Å; Q385-C388 PolarHBondContact O-N 3.31Å; Q385-A389 PolarHBondContact O-N 3.17Å; Q385-F399 HydrophobicContact CB-CZ 4.33Å; Q385-T401 PolarHBondContact NE2-OG1 2.72Å
386	C	98.6	Very high	97.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.5	-46.4	175.2	-62.4	0	0	0	0	111.4	Y382 L383 C388 A389 L390 F399 I414 M418 F532	Y382-C386 PolarHBondContact O-N 3.21Å; Y382-C386 PolarHBondContact O-SG 3.43Å; L383-C386 PolarHBondContact O-N 3.09Å; C386-C388 VanDerWaalsContact C-N 3.34Å; C386-C388 PolarHBondContact O-N 3.18Å; C386-A389 WeakPolarHBondContact O-CA 3.39Å; C386-A389 VanDerWaalsContact O-CB 3.23Å; C386-A389 WeakPolarHBondContact O-CB 3.22Å; C386-A389 PolarHBondContact O-N 2.7Å; C386-A389 VanDerWaalsContact O-N 3.09Å; C386-L390 WeakPolarHBondContact O-CG 3.26Å; C386-L390 PolarHBondContact O-N 3.29Å; C386-F399 HydrophobicContact CB-CE1 4.33Å; C386-I414 HydrophobicContact CB-CG2 4.39Å; C386-M418 HydrophobicContact CB-CE 4.1Å; C386-M418 HydrophobicContact CB-CG 4.41Å; C386-M418 HydrophobicContact CB-SD 3.86Å; C386-F532 HydrophobicContact CB-CD2 4.44Å; C386-F532 HydrophobicContact CB-CE2 3.91Å
387	L	98.1	Very high	97.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-57.4	-46.4	176	174.5	59.8	0	0	0	111.9	L340 L383 A389 L390 I391 I529 F532 L533	L340-L387 HydrophobicContact CD1-CD2 3.73Å; L340-L387 HydrophobicContact CD1-CG 4.28Å; L383-L387 VanDerWaalsContact O-CB 3.3Å; L383-L387 WeakPolarHBondContact O-CB 3.47Å; L383-L387 PolarHBondContact O-N 2.89Å; L387-A389 VanDerWaalsContact C-N 3.26Å; L387-A389 PolarHBondContact O-N 3.37Å; L387-L390 PolarHBondContact O-N 3.37Å; L387-I391 HydrophobicContact CD1-CD1 3.82Å; L387-I391 HydrophobicContact CD1-CG1 4.15Å; L387-I391 HydrophobicContact CG-CD1 3.85Å; L387-I391 WeakPolarHBondContact O-CB 3.49Å; L387-I391 VanDerWaalsContact O-CG1 3.25Å; L387-I391 WeakPolarHBondContact O-CG1 3.19Å; L387-I391 PolarHBondContact O-N 3.48Å; L387-I529 HydrophobicContact CD1-CB 4.41Å; L387-I529 HydrophobicContact CD1-CG2 4Å; L387-F532 HydrophobicContact CB-CB 4.24Å; L387-F532 HydrophobicContact CB-CD2 4.26Å; L387-F532 HydrophobicContact CD1-CB 4.04Å; L387-F532 HydrophobicContact CD2-CB 4.5Å; L387-F532 HydrophobicContact CG-CB 4.48Å; L387-L533 HydrophobicContact CD1-CG 4.08Å; L387-L533 HydrophobicContact CD2-CD2 3.62Å; L387-L533 HydrophobicContact CD2-CG 3.83Å
388	C	98.1	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.3	-36.9	176.7	-169.4	0	0	0	0	111.7	I225 V334 L340 C384 Q385 C386 N392	I225-C388 HydrophobicContact CD1-CB 3.65Å; V334-C388 HydrophobicContact CG2-CB 4.27Å; L340-C388 HydrophobicContact CD2-CB 3.77Å; C384-C388 VanDerWaalsContact O-CB 3.25Å; C384-C388 WeakPolarHBondContact O-CB 3.47Å; C384-C388 PolarHBondContact O-N 3.28Å; Q385-C388 PolarHBondContact O-N 3.31Å; C386-C388 VanDerWaalsContact C-N 3.34Å; C386-C388 PolarHBondContact O-N 3.18Å; C388-N392 WeakPolarHBondContact O-CB 3.47Å; C388-N392 PolarHBondContact O-N 3.13Å; C388-N392 PolarHBondContact O-ND2 3.23Å; C388-N392 PolarHBondContact SG-ND2 3.28Å
389	A	98.6	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.2	-54.3	173	0	0	0	0	0	111.8	L359 Q385 C386 L387 I391 N392 L393 F399	L359-A389 HydrophobicContact CD2-CB 3.93Å; Q385-A389 PolarHBondContact O-N 3.17Å; C386-A389 WeakPolarHBondContact O-CA 3.39Å; C386-A389 VanDerWaalsContact O-CB 3.23Å; C386-A389 WeakPolarHBondContact O-CB 3.22Å; C386-A389 PolarHBondContact O-N 2.7Å; C386-A389 VanDerWaalsContact O-N 3.09Å; L387-A389 VanDerWaalsContact C-N 3.26Å; L387-A389 PolarHBondContact O-N 3.37Å; A389-I391 VanDerWaalsContact C-N 3.26Å; A389-I391 PolarHBondContact O-N 3.23Å; A389-N392 PolarHBondContact O-N 2.64Å; A389-N392 VanDerWaalsContact O-N 3.13Å; A389-L393 HydrophobicContact CB-CD1 3.95Å; A389-L393 VanDerWaalsContact O-CB 3.32Å; A389-L393 WeakPolarHBondContact O-CB 3.43Å; A389-L393 VanDerWaalsContact O-CG 3.28Å; A389-L393 WeakPolarHBondContact O-CG 3.46Å; A389-L393 PolarHBondContact O-N 3.44Å; A389-F399 HydrophobicContact CB-CB 4.3Å; A389-F399 HydrophobicContact CB-CD1 3.95Å; A389-F399 HydrophobicContact CB-CD2 3.39Å; A389-F399 HydrophobicContact CB-CE1 4.06Å; A389-F399 HydrophobicContact CB-CE2 3.56Å; A389-F399 HydrophobicContact CB-CG 3.61Å; A389-F399 HydrophobicContact CB-CZ 3.87Å
390	L	97.9	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62	-33.3	-177.9	-63.4	-179.8	0	0	0	113	C386 L387 M418 L421 F422 L447 L525 V528 I529 F532	C386-L390 WeakPolarHBondContact O-CG 3.26Å; C386-L390 PolarHBondContact O-N 3.29Å; L387-L390 PolarHBondContact O-N 3.37Å; L390-M418 HydrophobicContact CD1-SD 4.1Å; L390-M418 HydrophobicContact CD2-CE 4.23Å; L390-M418 HydrophobicContact CD2-SD 4.16Å; L390-M418 HydrophobicContact CG-SD 4.24Å; L390-L421 HydrophobicContact CD1-CD1 3.58Å; L390-L421 HydrophobicContact CD2-CB 4.46Å; L390-L421 HydrophobicContact CD2-CD1 3.58Å; L390-L421 HydrophobicContact CG-CD1 4.23Å; L390-F422 HydrophobicContact CD2-CE2 3.89Å; L390-F422 HydrophobicContact CD2-CZ 4.39Å; L390-L447 HydrophobicContact CD2-CD1 3.89Å; L390-L525 HydrophobicContact CB-CD1 3.85Å; L390-L525 HydrophobicContact CD2-CD1 3.8Å; L390-L525 HydrophobicContact CG-CD1 4.25Å; L390-V528 HydrophobicContact CD1-CB 4.47Å; L390-V528 HydrophobicContact CD1-CG1 3.64Å; L390-I529 HydrophobicContact CB-CD1 4.16Å; L390-I529 HydrophobicContact CB-CG1 3.8Å; L390-I529 HydrophobicContact CD1-CG1 4.48Å; L390-F532 HydrophobicContact CD1-CD2 4.24Å; L390-F532 HydrophobicContact CD1-CE2 4.15Å
391	I	97.2	Very high	98	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.5	-41.7	175.8	-73.8	169.2	0	0	0	111.6	L340 A344 L387 A389 M454 G456 C457 I529	L340-I391 HydrophobicContact CB-CD1 4.42Å; A344-I391 HydrophobicContact CB-CG2 3.55Å; L387-I391 HydrophobicContact CD1-CD1 3.82Å; L387-I391 HydrophobicContact CD1-CG1 4.15Å; L387-I391 HydrophobicContact CG-CD1 3.85Å; L387-I391 WeakPolarHBondContact O-CB 3.49Å; L387-I391 VanDerWaalsContact O-CG1 3.25Å; L387-I391 WeakPolarHBondContact O-CG1 3.19Å; L387-I391 PolarHBondContact O-N 3.48Å; A389-I391 VanDerWaalsContact C-N 3.26Å; A389-I391 PolarHBondContact O-N 3.23Å; I391-M454 WeakPolarHBondContact O-CE 3.41Å; I391-G456 PolarHBondContact O-N 3.24Å; I391-C457 HydrophobicContact CD1-CB 4.17Å; I391-C457 HydrophobicContact CG2-CB 4.29Å; I391-I529 HydrophobicContact CG1-CG2 4.31Å
392	N	98	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-108.4	-18.7	-162.4	-67.6	-69.6	0	0	0	115.5	A344 I347 G355 V356 L359 C388 A389 M454	A344-N392 VanDerWaalsContact CA-OD1 3.26Å; A344-N392 WeakPolarHBondContact CA-OD1 3.4Å; I347-N392 HydrophobicContact CD1-CB 4Å; G355-N392 VanDerWaalsContact CA-O 3.28Å; G355-N392 WeakPolarHBondContact CA-O 3.32Å; V356-N392 HydrophobicContact CG2-CB 4.49Å; V356-N392 PolarHBondContact N-O 3.26Å; L359-N392 HydrophobicContact CD1-CB 4.01Å; C388-N392 WeakPolarHBondContact O-CB 3.47Å; C388-N392 PolarHBondContact O-N 3.13Å; C388-N392 PolarHBondContact O-ND2 3.23Å; C388-N392 PolarHBondContact SG-ND2 3.28Å; A389-N392 PolarHBondContact O-N 2.64Å; A389-N392 VanDerWaalsContact O-N 3.13Å; N392-M454 HydrophobicContact CB-CE 4.48Å; N392-M454 WeakPolarHBondContact OD1-CE 3.4Å
393	L	98.4	Very high	98	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	142.3	178.9	-77.5	167.6	0	0	0	111.4	V356 L359 A389 H398 F399 F422 L447 M454	V356-L393 HydrophobicContact CG2-CD2 4.09Å; L359-L393 HydrophobicContact CB-CD2 3.96Å; L359-L393 HydrophobicContact CB-CG 4.16Å; A389-L393 HydrophobicContact CB-CD1 3.95Å; A389-L393 VanDerWaalsContact O-CB 3.32Å; A389-L393 WeakPolarHBondContact O-CB 3.43Å; A389-L393 VanDerWaalsContact O-CG 3.28Å; A389-L393 WeakPolarHBondContact O-CG 3.46Å; A389-L393 PolarHBondContact O-N 3.44Å; L393-H398 VanDerWaalsContact CD2-O 3.28Å; L393-H398 WeakPolarHBondContact CD2-O 3.25Å; L393-F399 HydrophobicContact CD1-CB 3.96Å; L393-F422 HydrophobicContact CD1-CE1 4.21Å; L393-F422 HydrophobicContact CD1-CZ 3.9Å; L393-L447 HydrophobicContact CB-CD2 3.79Å; L393-M454 WeakPolarHBondContact O-CA 3.23Å
394	R	97.6	Very high	97.8	Very high	51 Å²	51	8.6 Å²	8.6	19%	0.192	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	162.2	167	73.6	178.7	57.8	-162.4	-1.8	110.8	A354 G355 V356 H357 G396 G397	A354-R394 WeakPolarHBondContact O-CA 3.45Å; A354-R394 WeakPolarHBondContact O-CB 3.45Å; G355-R394 PolarHBondContact O-NE 3.35Å; G355-R394 PolarHBondContact O-NH2 3.4Å; V356-R394 WeakPolarHBondContact O-CG 3.33Å; V356-R394 PolarHBondContact O-N 2.91Å; H357-R394 PolarHBondContact CE1-NH1 2.97Å; H357-R394 VanDerWaalsContact CE1-NH1 3.33Å; H357-R394 PolarHBondContact CE1-NH2 3.25Å; H357-R394 PolarHBondContact NE2-NH1 3.43Å; R394-G396 PolarHBondContact O-N 2.97Å; R394-G397 PolarHBondContact O-N 2.92Å
395	P	96.3	Very high	97.7	Very high	44 Å²	44	8.7 Å²	8.7	29%	0.286	5%	0.052	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	132.6	167.3	-21.4	32.5	0	0	0	110.9	G397 L451	P395-G397 PolarHBondContact O-N 3.49Å; P395-L451 WeakPolarHBondContact CG-O 3.4Å
396	G	97.3	Very high	97.6	Very high	35 Å²	35	8.7 Å²	8.7	36%	0.361	5%	0.052	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	3.4	-173.5	0	0	0	0	0	115	R394 N446 L447	R394-G396 PolarHBondContact O-N 2.97Å; G396-N446 PolarHBondContact O-OD1 2.91Å; G396-L447 PolarHBondContact N-O 3.28Å
397	G	98.4	Very high	97.5	Very high	2 Å²	2	8.9 Å²	8.9	2%	0.021	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	160.2	176.5	0	0	0	0	0	113.6	H357 R394 P395 N446 L447	H357-G397 CarbonylContact O-C 3.49Å; H357-G397 WeakPolarHBondContact O-CA 3.21Å; R394-G397 PolarHBondContact O-N 2.92Å; P395-G397 PolarHBondContact O-N 3.49Å; G397-N446 PolarHBondContact O-N 3.16Å; G397-L447 PolarHBondContact O-N 3.47Å
398	H	98.8	Very high	97.5	Very high	15 Å²	15	9.1 Å²	9.1	7%	0.069	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.3	-179.7	-49.4	-76.1	0	0	0	112	F210 H357 I358 L359 L393 C444 N446	F210-H398 HydrophobicContact CD1-CB 4.22Å; F210-H398 HydrophobicContact CE1-CB 4.12Å; H357-H398 PolarHBondContact O-N 2.82Å; I358-H398 WeakPolarHBondContact CA-O 3.37Å; I358-H398 HydrophobicContact CG2-CB 4.34Å; L359-H398 PolarHBondContact N-O 3.09Å; L393-H398 VanDerWaalsContact CD2-O 3.28Å; L393-H398 WeakPolarHBondContact CD2-O 3.25Å; H398-C444 WeakPolarHBondContact CA-O 3.5Å; H398-N446 PolarHBondContact CE1-OD1 2.92Å; H398-N446 PolarHBondContact ND1-N 3.45Å
399	F	98.8	Very high	97.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.9	175.7	-178.6	-136.2	0	0	0	110.9	L359 A361 Q385 C386 A389 L393 T401 M418 F422 V443 C444	L359-F399 HydrophobicContact CB-CD2 4.32Å; L359-F399 HydrophobicContact CD2-CD2 3.62Å; L359-F399 HydrophobicContact CD2-CE2 3.44Å; L359-F399 VanDerWaalsContact CD2-CE2 3.44Å; L359-F399 WeakPolarHBondContact O-CA 3.28Å; L359-F399 WeakPolarHBondContact O-CD2 3.13Å; A361-F399 HydrophobicContact CB-CE2 4.25Å; Q385-F399 HydrophobicContact CB-CZ 4.33Å; C386-F399 HydrophobicContact CB-CE1 4.33Å; A389-F399 HydrophobicContact CB-CB 4.3Å; A389-F399 HydrophobicContact CB-CD1 3.95Å; A389-F399 HydrophobicContact CB-CD2 3.39Å; A389-F399 HydrophobicContact CB-CE1 4.06Å; A389-F399 HydrophobicContact CB-CE2 3.56Å; A389-F399 HydrophobicContact CB-CG 3.61Å; A389-F399 HydrophobicContact CB-CZ 3.87Å; L393-F399 HydrophobicContact CD1-CB 3.96Å; F399-T401 HydrophobicContact CD1-CG2 4.43Å; F399-T401 HydrophobicContact CE1-CG2 3.53Å; F399-T401 HydrophobicContact CE2-CG2 4.48Å; F399-T401 HydrophobicContact CZ-CG2 3.58Å; F399-M418 HydrophobicContact CD1-CE 3.55Å; F399-M418 HydrophobicContact CE1-CE 3.85Å; F399-F422 HydrophobicContact CB-CE1 4.22Å; F399-F422 HydrophobicContact CB-CZ 4Å; F399-V443 CarbonylContact O-C 3.52Å; F399-V443 WeakPolarHBondContact O-CA 3.42Å; F399-C444 HydrophobicContact CB-CB 4.08Å; F399-C444 PolarHBondContact N-O 3.37Å; F399-C444 PolarHBondContact O-N 3.05Å
400	L	98.8	Very high	97.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.6	170.4	168.7	69.6	0	0	0	108.3	M199 I202 F210 F232 L359 M360 A361 Y441 L442 V443	M199-L400 HydrophobicContact CE-CD2 4.07Å; M199-L400 HydrophobicContact SD-CD2 3.31Å; M199-L400 WeakPolarHBondContact SD-CD2 3.46Å; I202-L400 HydrophobicContact CD1-CD1 4.07Å; I202-L400 HydrophobicContact CD1-CD2 4.31Å; I202-L400 HydrophobicContact CG2-CD1 4.22Å; I202-L400 HydrophobicContact CG2-CD2 4.42Å; F210-L400 HydrophobicContact CE1-CB 3.9Å; F210-L400 HydrophobicContact CZ-CB 4.14Å; F232-L400 HydrophobicContact CE2-CD2 4.38Å; L359-L400 PolarHBondContact O-N 3.02Å; M360-L400 CarbonylContact C-O 3.5Å; M360-L400 VanDerWaalsContact CA-O 3.31Å; M360-L400 WeakPolarHBondContact CA-O 3.34Å; M360-L400 HydrophobicContact CG-CD2 4.46Å; A361-L400 PolarHBondContact N-O 3.03Å; L400-Y441 HydrophobicContact CD1-CD1 3.82Å; L400-Y441 HydrophobicContact CD1-CG 4.09Å; L400-Y441 HydrophobicContact CG-CD1 4.39Å; L400-L442 WeakPolarHBondContact CA-O 3.03Å; L400-V443 HydrophobicContact CD1-CG2 3.47Å; L400-V443 VanDerWaalsContact CD1-CG2 3.47Å
401	T	98.2	Very high	97.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	143.7	172.2	-173.2	0	0	0	0	112.5	A361 Q385 F399 Y441 L442	A361-T401 WeakPolarHBondContact O-CA 3.5Å; Q385-T401 PolarHBondContact NE2-OG1 2.72Å; F399-T401 HydrophobicContact CD1-CG2 4.43Å; F399-T401 HydrophobicContact CE1-CG2 3.53Å; F399-T401 HydrophobicContact CE2-CG2 4.48Å; F399-T401 HydrophobicContact CZ-CG2 3.58Å; T401-Y441 CarbonylContact O-C 3.6Å; T401-Y441 VanDerWaalsContact O-CA 3.3Å; T401-Y441 WeakPolarHBondContact O-CA 3.41Å; T401-L442 HydrophobicContact CG2-CB 3.94Å; T401-L442 HydrophobicContact CG2-CD2 4.21Å; T401-L442 HydrophobicContact CG2-CG 4.45Å; T401-L442 PolarHBondContact N-O 3.11Å; T401-L442 PolarHBondContact O-N 2.94Å
402	K	97.1	Very high	97.5	Very high	16 Å²	16	10.7 Å²	10.7	7%	0.07	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.6	167.7	-175	-179.9	-69.3	156.4	0	110.9	A361 D362 F404 E439 Y441	A361-K402 PolarHBondContact O-N 2.96Å; D362-K402 PolarHBondContact O-NZ 2.64Å; D362-K402 WeakPolarHBondContact OD1-CE 3.43Å; D362-K402 IonicContact OD1-NZ 2.72Å; D362-K402 PolarHBondContact OD1-NZ 3.22Å; D362-K402 IonicContact OD2-NZ 2.66Å; D362-K402 PolarHBondContact OD2-NZ 3.46Å; K402-F404 HydrophobicContact CD-CE1 4.23Å; K402-F404 HydrophobicContact CD-CZ 3.91Å; K402-E439 HydrophobicContact CD-CG 3.87Å; K402-E439 WeakPolarHBondContact CE-OE2 3.45Å; K402-E439 HydrophobicContact CG-CG 3.89Å; K402-E439 IonicContact NZ-OE2 2.67Å; K402-Y441 HydrophobicContact CB-CD1 4.21Å; K402-Y441 HydrophobicContact CB-CE1 3.87Å; K402-Y441 VanDerWaalsContact CE-OH 3.29Å; K402-Y441 WeakPolarHBondContact CE-OH 3.43Å; K402-Y441 HydrophobicContact CG-CE1 4.29Å
403	L	96.4	Very high	97.5	Very high	4 Å²	4	10.7 Å²	10.7	2%	0.021	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	165.3	166.6	-61.3	178.5	0	0	0	109.5	Y382 T406 I415 I427 R440 L442	Y382-L403 HydrophobicContact CD1-CD2 3.74Å; Y382-L403 HydrophobicContact CD2-CD2 3.97Å; Y382-L403 HydrophobicContact CE1-CD2 3.93Å; Y382-L403 HydrophobicContact CE2-CD2 4.15Å; Y382-L403 HydrophobicContact CG-CD2 3.75Å; L403-T406 HydrophobicContact CD1-CG2 4.22Å; L403-I415 HydrophobicContact CD1-CD1 4Å; L403-I415 HydrophobicContact CD1-CG1 4.27Å; L403-I427 HydrophobicContact CD1-CD1 4.08Å; L403-R440 HydrophobicContact CB-CG 4.09Å; L403-R440 PolarHBondContact N-O 3.37Å; L403-R440 PolarHBondContact O-N 2.78Å; L403-L442 HydrophobicContact CD1-CB 3.68Å; L403-L442 HydrophobicContact CG-CB 4.21Å
404	F	95.5	Very high	97.5	Very high	13 Å²	13	10.9 Å²	10.9	6%	0.057	6%	0.062	C	C	.	.			trans	-109.3	-135.5	169.1	-63	-69	0	0	0	109.6	Q374 Y382 K402 S438 E439 R440	Q374-F404 VanDerWaalsContact CD-CD1 3.42Å; Q374-F404 VanDerWaalsContact CD-CG 3.43Å; Q374-F404 HydrophobicContact CG-CB 4.25Å; Q374-F404 HydrophobicContact CG-CD1 4.24Å; Q374-F404 HydrophobicContact CG-CD2 3.47Å; Q374-F404 VanDerWaalsContact CG-CD2 3.47Å; Q374-F404 HydrophobicContact CG-CE2 3.83Å; Q374-F404 HydrophobicContact CG-CG 3.72Å; Q374-F404 HydrophobicContact CG-CZ 4.34Å; Q374-F404 VanDerWaalsContact NE2-CE1 3.33Å; Y382-F404 HydrophobicContact CE1-CD2 4.36Å; Y382-F404 WeakPolarHBondContact OH-CB 3.2Å; Y382-F404 WeakPolarHBondContact OH-CD2 3.42Å; Y382-F404 PolarHBondContact OH-N 3.28Å; K402-F404 HydrophobicContact CD-CE1 4.23Å; K402-F404 HydrophobicContact CD-CZ 3.91Å; F404-S438 CarbonylContact C-O 3.49Å; F404-S438 VanDerWaalsContact C-O 3.22Å; F404-S438 VanDerWaalsContact CA-O 3.28Å; F404-S438 WeakPolarHBondContact CA-O 3.35Å; F404-E439 HydrophobicContact CD1-CB 4.33Å; F404-E439 HydrophobicContact CE1-CB 4.21Å; F404-R440 WeakPolarHBondContact O-CD 3.45Å; F404-R440 WeakPolarHBondContact O-CG 3.47Å; F404-R440 PolarHBondContact O-NE 2.73Å
405	D	95.6	Very high	97.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.053	C	C	.	.			trans	-59.2	155.7	169.8	-65	-45.3	0	0	0	110.3	K162 E375 F407 S438 R440	K162-D405 IonicContact NZ-OD1 2.7Å; K162-D405 IonicContact NZ-OD2 3.78Å; K162-D405 PolarHBondContact NZ-OD2 2.96Å; E375-D405 HydrophobicContact CB-CB 4.27Å; E375-D405 WeakPolarHBondContact CG-O 3.3Å; E375-D405 WeakPolarHBondContact OE2-CB 3.16Å; D405-F407 HydrophobicContact CB-CD2 3.86Å; D405-F407 HydrophobicContact CB-CE2 3.9Å; D405-S438 VanDerWaalsContact CG-CB 3.47Å; D405-S438 VanDerWaalsContact OD1-CB 3.24Å; D405-S438 WeakPolarHBondContact OD1-CB 3.5Å; D405-S438 PolarHBondContact OD1-OG 3.24Å; D405-S438 VanDerWaalsContact OD2-CB 3.32Å; D405-S438 WeakPolarHBondContact OD2-CB 3.34Å; D405-S438 PolarHBondContact OD2-OG 3.24Å; D405-R440 IonicContact OD1-CZ 3.4Å; D405-R440 IonicContact OD1-NH2 3.18Å; D405-R440 PolarHBondContact OD1-NH2 2.87Å
406	T	96.6	Very high	97.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.041	C	C	.	.			trans	-135.1	45.3	-173.3	42.8	0	0	0	0	109.1	E375 L403 T411 I412 I415 M579 N580	E375-T406 WeakPolarHBondContact OE1-CA 3.48Å; E375-T406 PolarHBondContact OE2-N 3.46Å; L403-T406 HydrophobicContact CD1-CG2 4.22Å; T406-T411 HydrophobicContact CG2-CG2 3.78Å; T406-I412 WeakPolarHBondContact O-CD1 3.49Å; T406-I415 HydrophobicContact CG2-CD1 3.88Å; T406-M579 WeakPolarHBondContact OG1-CE 3.37Å; T406-N580 PolarHBondContact O-ND2 2.89Å; T406-N580 PolarHBondContact OG1-OD1 3.37Å
407	F	96.7	Very high	97.5	Very high	5 Å²	5	5 Å²	5	2%	0.022	2%	0.024	C	C	.	.			trans	-93.2	-26	-177.6	-60.4	-44.7	0	0	0	112.9	L143 E146 F149 C150 V155 E375 D405 N580	L143-F407 HydrophobicContact CD1-CD2 4.38Å; E146-F407 HydrophobicContact CB-CB 3.94Å; F149-F407 WeakPolarHBondContact CD2-O 3.45Å; C150-F407 HydrophobicContact CB-CD1 3.73Å; C150-F407 HydrophobicContact CB-CE1 3.66Å; V155-F407 HydrophobicContact CG2-CD1 4.36Å; V155-F407 HydrophobicContact CG2-CE1 4.27Å; V155-F407 HydrophobicContact CG2-CZ 4.35Å; E375-F407 PolarHBondContact OE1-N 2.97Å; E375-F407 VanDerWaalsContact OE1-N 3.13Å; E375-F407 PolarHBondContact OE2-N 3.14Å; D405-F407 HydrophobicContact CB-CD2 3.86Å; D405-F407 HydrophobicContact CB-CE2 3.9Å; F407-N580 HydrophobicContact CE1-CB 4.16Å
408	T	97.1	Very high	97.5	Very high	4 Å²	4	4.9 Å²	4.9	3%	0.025	2%	0.023	C	C	.	.	S	Bend	trans	-82.6	146	-176.2	66.8	0	0	0	0	111.9	I140 L143 E146 E375 V376 F410 T411 I412	I140-T408 HydrophobicContact CD1-CG2 3.75Å; L143-T408 HydrophobicContact CD2-CG2 4.01Å; E146-T408 HydrophobicContact CG-CG2 4.38Å; E375-T408 HydrophobicContact CG-CG2 4.33Å; E375-T408 WeakPolarHBondContact OE1-CB 3.38Å; E375-T408 PolarHBondContact OE1-N 2.99Å; E375-T408 PolarHBondContact OE1-OG1 3.46Å; V376-T408 HydrophobicContact CG2-CG2 4.15Å; T408-F410 VanDerWaalsContact C-N 3.31Å; T408-F410 PolarHBondContact O-N 2.67Å; T408-T411 PolarHBondContact O-N 2.92Å; T408-T411 PolarHBondContact OG1-OG1 3.23Å; T408-T411 VanDerWaalsContact OG1-OG1 3.11Å; T408-I412 PolarHBondContact O-N 2.94Å
409	E	97.4	Very high	97.3	Very high	28 Å²	28	4.3 Å²	4.3	13%	0.131	2%	0.021	C	C	.	.	H	α-helix	trans	-54.9	-44.3	175	-76.1	177.7	114.8	0	0	112.3	K148 F149 T411 I412 D413 R559 T563	K148-E409 HydrophobicContact CD-CG 4.11Å; K148-E409 WeakPolarHBondContact CE-OE1 3.32Å; K148-E409 IonicContact NZ-OE1 2.61Å; K148-E409 PolarHBondContact NZ-OE1 2.94Å; F149-E409 HydrophobicContact CE2-CB 4.34Å; F149-E409 HydrophobicContact CE2-CG 3.6Å; F149-E409 HydrophobicContact CZ-CG 4.11Å; E409-T411 VanDerWaalsContact C-N 3.27Å; E409-T411 PolarHBondContact O-N 2.86Å; E409-I412 PolarHBondContact O-N 3.5Å; E409-I412 VanDerWaalsContact O-N 3.11Å; E409-D413 WeakPolarHBondContact O-CB 3.36Å; E409-D413 PolarHBondContact O-N 3.02Å; E409-R559 HydrophobicContact CB-CB 4.4Å; E409-R559 IonicContact OE1-CZ 3.06Å; E409-R559 IonicContact OE1-NE 3.07Å; E409-R559 IonicContact OE1-NH2 3.46Å; E409-R559 PolarHBondContact OE1-NH2 3.13Å; E409-R559 IonicContact OE2-CZ 3.32Å; E409-R559 IonicContact OE2-NE 3.78Å; E409-R559 IonicContact OE2-NH2 3.13Å; E409-R559 PolarHBondContact OE2-NH2 3.33Å; E409-T563 PolarHBondContact OE1-OG1 2.92Å
410	F	97.9	Very high	97	Very high	3 Å²	3	5.4 Å²	5.4	1%	0.013	3%	0.025	C	C	.	.	H	α-helix	trans	-53.1	-43.1	178.2	-169.3	-87.1	0	0	0	113.4	K379 L383 T408 I414 V535 L539 V557 L558 I560	K379-F410 HydrophobicContact CB-CD1 3.65Å; K379-F410 HydrophobicContact CB-CE1 3.75Å; K379-F410 HydrophobicContact CD-CD1 4.13Å; K379-F410 HydrophobicContact CD-CE1 4.3Å; K379-F410 HydrophobicContact CD-CG 4.26Å; K379-F410 HydrophobicContact CG-CD1 4.13Å; K379-F410 HydrophobicContact CG-CE1 3.98Å; K379-F410 WeakPolarHBondContact O-CE1 3.33Å; L383-F410 HydrophobicContact CB-CE1 4.47Å; L383-F410 HydrophobicContact CB-CZ 4.46Å; L383-F410 HydrophobicContact CD2-CZ 4.44Å; T408-F410 VanDerWaalsContact C-N 3.31Å; T408-F410 PolarHBondContact O-N 2.67Å; F410-I414 HydrophobicContact CD1-CD1 3.8Å; F410-I414 HydrophobicContact CE1-CD1 3.41Å; F410-I414 VanDerWaalsContact CE1-CD1 3.41Å; F410-I414 HydrophobicContact CE1-CG1 4.38Å; F410-I414 HydrophobicContact CZ-CD1 4.22Å; F410-I414 WeakPolarHBondContact O-CG1 3.21Å; F410-I414 PolarHBondContact O-N 2.75Å; F410-V535 HydrophobicContact CE2-CG1 3.93Å; F410-V535 HydrophobicContact CZ-CG1 4.04Å; F410-L539 HydrophobicContact CZ-CD1 4.07Å; F410-V557 HydrophobicContact CD2-CG1 4.31Å; F410-V557 WeakPolarHBondContact CD2-O 3.34Å; F410-V557 HydrophobicContact CE2-CB 4.43Å; F410-V557 HydrophobicContact CE2-CG1 4Å; F410-L558 WeakPolarHBondContact CB-O 3.18Å; F410-L558 PolarHBondContact N-O 3.1Å; F410-L558 VanDerWaalsContact N-O 3.11Å; F410-I560 HydrophobicContact CD2-CG2 4Å; F410-I560 HydrophobicContact CE2-CG2 3.62Å; F410-I560 HydrophobicContact CZ-CG2 4.46Å
411	T	98.1	Very high	96.8	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.012	3%	0.026	C	C	.	.	H	α-helix	trans	-70.9	-42.8	179.7	-56.9	0	0	0	0	111	E375 Y382 T406 T408 E409 D413 I414 I415	E375-T411 WeakPolarHBondContact CG-OG1 3.5Å; E375-T411 VanDerWaalsContact OE1-CB 3.25Å; E375-T411 WeakPolarHBondContact OE1-CB 3.48Å; E375-T411 PolarHBondContact OE1-OG1 3.02Å; Y382-T411 HydrophobicContact CD2-CG2 4.23Å; Y382-T411 HydrophobicContact CE2-CG2 4.23Å; T406-T411 HydrophobicContact CG2-CG2 3.78Å; T408-T411 PolarHBondContact O-N 2.92Å; T408-T411 PolarHBondContact OG1-OG1 3.23Å; T408-T411 VanDerWaalsContact OG1-OG1 3.11Å; E409-T411 VanDerWaalsContact C-N 3.27Å; E409-T411 PolarHBondContact O-N 2.86Å; T411-D413 VanDerWaalsContact C-N 3.35Å; T411-I414 PolarHBondContact O-N 3.49Å; T411-I415 HydrophobicContact CG2-CD1 4.25Å; T411-I415 WeakPolarHBondContact O-CG1 3.1Å; T411-I415 PolarHBondContact O-N 2.7Å; T411-I415 VanDerWaalsContact O-N 3.12Å
412	I	98.1	Very high	96.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.7	-39.9	178.3	-64.8	-50.8	0	0	0	111.4	F149 T406 T408 E409 I414 I415 Y416 F572 I576	F149-I412 HydrophobicContact CB-CG1 4.47Å; F149-I412 HydrophobicContact CD1-CG1 4.29Å; F149-I412 HydrophobicContact CD1-CG2 4.28Å; F149-I412 HydrophobicContact CD2-CB 4.31Å; F149-I412 HydrophobicContact CD2-CG1 3.61Å; F149-I412 HydrophobicContact CE1-CB 4.45Å; F149-I412 HydrophobicContact CE1-CG1 4.44Å; F149-I412 HydrophobicContact CE1-CG2 3.82Å; F149-I412 HydrophobicContact CE2-CB 3.95Å; F149-I412 HydrophobicContact CE2-CG1 3.78Å; F149-I412 HydrophobicContact CE2-CG2 4.2Å; F149-I412 HydrophobicContact CG-CG1 3.87Å; F149-I412 HydrophobicContact CZ-CB 4.03Å; F149-I412 HydrophobicContact CZ-CG1 4.2Å; F149-I412 HydrophobicContact CZ-CG2 3.77Å; T406-I412 WeakPolarHBondContact O-CD1 3.49Å; T408-I412 PolarHBondContact O-N 2.94Å; E409-I412 PolarHBondContact O-N 3.5Å; E409-I412 VanDerWaalsContact O-N 3.11Å; I412-I414 VanDerWaalsContact C-N 3.31Å; I412-I414 PolarHBondContact O-N 2.82Å; I412-I415 HydrophobicContact CD1-CD1 4.22Å; I412-I415 PolarHBondContact O-N 3.44Å; I412-I415 VanDerWaalsContact O-N 3.14Å; I412-Y416 WeakPolarHBondContact O-CB 3.29Å; I412-Y416 PolarHBondContact O-N 3.36Å; I412-F572 HydrophobicContact CG2-CE1 3.67Å; I412-F572 HydrophobicContact CG2-CZ 4.08Å; I412-I576 HydrophobicContact CD1-CD1 3.9Å; I412-I576 HydrophobicContact CD1-CG1 4.21Å; I412-I576 HydrophobicContact CD1-CG2 3.54Å; I412-I576 HydrophobicContact CG1-CG2 4.17Å; I412-I576 HydrophobicContact CG2-CG1 4.48Å
413	D	98.3	Very high	96.7	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-58.2	-43.1	175.2	-69.4	-4.8	0	0	0	111.7	E409 T411 Y416 I417 R559 I560 C561 I566	E409-D413 WeakPolarHBondContact O-CB 3.36Å; E409-D413 PolarHBondContact O-N 3.02Å; T411-D413 VanDerWaalsContact C-N 3.35Å; D413-Y416 PolarHBondContact O-N 3.04Å; D413-I417 WeakPolarHBondContact O-CB 3.34Å; D413-I417 VanDerWaalsContact O-CG1 3.31Å; D413-I417 WeakPolarHBondContact O-CG1 3.48Å; D413-I417 PolarHBondContact O-N 3.28Å; D413-R559 VanDerWaalsContact OD2-CA 3.32Å; D413-R559 WeakPolarHBondContact OD2-CA 3.46Å; D413-R559 VanDerWaalsContact OD2-CB 3.31Å; D413-R559 WeakPolarHBondContact OD2-CB 3.48Å; D413-I560 HydrophobicContact CB-CD1 4.19Å; D413-I560 HydrophobicContact CB-CG1 3.46Å; D413-I560 VanDerWaalsContact CB-CG1 3.46Å; D413-I560 PolarHBondContact OD2-N 2.88Å; D413-C561 HydrophobicContact CB-CB 4.17Å; D413-C561 PolarHBondContact OD2-N 2.66Å; D413-I566 WeakPolarHBondContact OD1-CD1 3.39Å
414	I	98.4	Very high	96.7	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.021	5%	0.049	C	C	.	.	H	α-helix	trans	-61.7	-48.3	175.3	-69.4	170.2	0	0	0	110.1	L383 C386 F410 T411 I412 Y416 I417 M418 I560	L383-I414 HydrophobicContact CB-CD1 3.99Å; L383-I414 HydrophobicContact CD1-CD1 4.07Å; L383-I414 HydrophobicContact CD1-CG1 4.23Å; C386-I414 HydrophobicContact CB-CG2 4.39Å; F410-I414 HydrophobicContact CD1-CD1 3.8Å; F410-I414 HydrophobicContact CE1-CD1 3.41Å; F410-I414 VanDerWaalsContact CE1-CD1 3.41Å; F410-I414 HydrophobicContact CE1-CG1 4.38Å; F410-I414 HydrophobicContact CZ-CD1 4.22Å; F410-I414 WeakPolarHBondContact O-CG1 3.21Å; F410-I414 PolarHBondContact O-N 2.75Å; T411-I414 PolarHBondContact O-N 3.49Å; I412-I414 VanDerWaalsContact C-N 3.31Å; I412-I414 PolarHBondContact O-N 2.82Å; I414-Y416 VanDerWaalsContact C-N 3.31Å; I414-Y416 PolarHBondContact O-N 3.26Å; I414-I417 PolarHBondContact O-N 2.88Å; I414-M418 HydrophobicContact CG2-CG 4.29Å; I414-M418 WeakPolarHBondContact O-CB 3.47Å; I414-M418 WeakPolarHBondContact O-CG 3.31Å; I414-M418 PolarHBondContact O-N 3.23Å; I414-I560 HydrophobicContact CG1-CD1 3.78Å
415	I	98.2	Very high	96.8	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-60.1	-44.4	-179.8	-66.2	168.6	0	0	0	110.4	L403 T406 T411 I412 M418 G419 I425 I427 L442 F572 I576	L403-I415 HydrophobicContact CD1-CD1 4Å; L403-I415 HydrophobicContact CD1-CG1 4.27Å; T406-I415 HydrophobicContact CG2-CD1 3.88Å; T411-I415 HydrophobicContact CG2-CD1 4.25Å; T411-I415 WeakPolarHBondContact O-CG1 3.1Å; T411-I415 PolarHBondContact O-N 2.7Å; T411-I415 VanDerWaalsContact O-N 3.12Å; I412-I415 HydrophobicContact CD1-CD1 4.22Å; I412-I415 PolarHBondContact O-N 3.44Å; I412-I415 VanDerWaalsContact O-N 3.14Å; I415-M418 PolarHBondContact O-N 2.79Å; I415-G419 PolarHBondContact O-N 3.39Å; I415-I425 HydrophobicContact CG2-CD1 3.67Å; I415-I427 HydrophobicContact CD1-CD1 4.27Å; I415-L442 HydrophobicContact CG1-CD2 4.43Å; I415-F572 HydrophobicContact CG2-CE2 4.24Å; I415-F572 HydrophobicContact CG2-CZ 4.23Å; I415-I576 HydrophobicContact CG2-CD1 4.33Å
416	Y	97	Very high	96.9	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.02	5%	0.052	C	C	.	.	H	α-helix	trans	-63.9	-48.6	-179.9	-168.5	-126	0	0	0	111.7	W109 L126 I412 D413 I414 M418 G419 Y420 I566 D569 F572	W109-Y416 HydrophobicContact CH2-CD2 4.43Å; W109-Y416 HydrophobicContact CH2-CE2 4.17Å; W109-Y416 HydrophobicContact CZ2-CE2 4.09Å; L126-Y416 HydrophobicContact CD1-CD1 4.13Å; L126-Y416 HydrophobicContact CD1-CE1 3.83Å; L126-Y416 HydrophobicContact CD2-CD1 3.74Å; L126-Y416 HydrophobicContact CD2-CE1 3.7Å; L126-Y416 HydrophobicContact CG-CE1 4.45Å; I412-Y416 WeakPolarHBondContact O-CB 3.29Å; I412-Y416 PolarHBondContact O-N 3.36Å; D413-Y416 PolarHBondContact O-N 3.04Å; I414-Y416 VanDerWaalsContact C-N 3.31Å; I414-Y416 PolarHBondContact O-N 3.26Å; Y416-M418 VanDerWaalsContact C-N 3.3Å; Y416-M418 PolarHBondContact O-N 3.38Å; Y416-G419 WeakPolarHBondContact O-CA 3.47Å; Y416-G419 PolarHBondContact O-N 2.65Å; Y416-Y420 HydrophobicContact CD1-CE2 4.2Å; Y416-Y420 HydrophobicContact CD2-CE2 4.4Å; Y416-Y420 AromaticContact CE1-CE2 3.73Å; Y416-Y420 HydrophobicContact CE1-CE2 3.73Å; Y416-Y420 AromaticContact CE2-CE2 3.94Å; Y416-Y420 HydrophobicContact CE2-CE2 3.94Å; Y416-Y420 AromaticContact CZ-CE2 3.59Å; Y416-Y420 WeakPolarHBondContact O-CD2 3.21Å; Y416-Y420 PolarHBondContact O-N 3.24Å; Y416-Y420 PolarHBondContact OH-OH 3.46Å; Y416-I566 HydrophobicContact CD1-CD1 4.12Å; Y416-I566 HydrophobicContact CD1-CG1 3.68Å; Y416-I566 HydrophobicContact CE1-CG1 3.88Å; Y416-I566 HydrophobicContact CG-CG1 4.39Å; Y416-D569 HydrophobicContact CE2-CB 4.31Å; Y416-D569 WeakPolarHBondContact OH-CB 3.4Å; Y416-D569 PolarHBondContact OH-OD2 2.74Å; Y416-F572 HydrophobicContact CD2-CB 4.21Å; Y416-F572 AromaticContact CD2-CD1 3.45Å; Y416-F572 HydrophobicContact CD2-CD1 3.45Å; Y416-F572 VanDerWaalsContact CD2-CD1 3.45Å; Y416-F572 AromaticContact CD2-CD2 3.59Å; Y416-F572 HydrophobicContact CD2-CD2 3.59Å; Y416-F572 AromaticContact CD2-CE1 3.55Å; Y416-F572 HydrophobicContact CD2-CE1 3.55Å; Y416-F572 AromaticContact CD2-CE2 3.7Å; Y416-F572 HydrophobicContact CD2-CE2 3.7Å; Y416-F572 AromaticContact CD2-CG 3.45Å; Y416-F572 HydrophobicContact CD2-CG 3.45Å; Y416-F572 VanDerWaalsContact CD2-CG 3.45Å; Y416-F572 AromaticContact CD2-CZ 3.68Å; Y416-F572 HydrophobicContact CD2-CZ 3.68Å; Y416-F572 HydrophobicContact CE2-CB 3.9Å; Y416-F572 AromaticContact CE2-CD1 3.85Å; Y416-F572 HydrophobicContact CE2-CD1 3.85Å; Y416-F572 HydrophobicContact CE2-CD2 4.1Å; Y416-F572 HydrophobicContact CE2-CE1 4.39Å; Y416-F572 AromaticContact CE2-CG 3.66Å; Y416-F572 HydrophobicContact CE2-CG 3.66Å; Y416-F572 HydrophobicContact CG-CD1 4.17Å; Y416-F572 AromaticContact CG-CE1 3.89Å; Y416-F572 HydrophobicContact CG-CE1 3.89Å; Y416-F572 HydrophobicContact CG-CE2 4.45Å; Y416-F572 HydrophobicContact CG-CZ 4.04Å
417	I	96.7	Very high	97	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.6	-42.4	175.1	-71.8	171.1	0	0	0	111.2	L126 I127 D413 I414 G419 Y420 V528 F532 I560 C561	L126-I417 HydrophobicContact CD2-CG1 4.43Å; I127-I417 HydrophobicContact CG2-CD1 4.09Å; D413-I417 WeakPolarHBondContact O-CB 3.34Å; D413-I417 VanDerWaalsContact O-CG1 3.31Å; D413-I417 WeakPolarHBondContact O-CG1 3.48Å; D413-I417 PolarHBondContact O-N 3.28Å; I414-I417 PolarHBondContact O-N 2.88Å; I417-G419 VanDerWaalsContact C-N 3.25Å; I417-G419 PolarHBondContact O-N 3.33Å; I417-Y420 WeakPolarHBondContact O-CB 3.37Å; I417-Y420 PolarHBondContact O-N 2.99Å; I417-Y420 VanDerWaalsContact O-N 3.14Å; I417-V528 HydrophobicContact CG2-CB 4.28Å; I417-V528 HydrophobicContact CG2-CG1 3.48Å; I417-V528 VanDerWaalsContact CG2-CG1 3.48Å; I417-V528 HydrophobicContact CG2-CG2 3.72Å; I417-F532 HydrophobicContact CB-CE1 4.43Å; I417-F532 HydrophobicContact CB-CZ 4.2Å; I417-F532 HydrophobicContact CD1-CE1 3.78Å; I417-F532 HydrophobicContact CD1-CZ 4.37Å; I417-F532 HydrophobicContact CG2-CE1 3.94Å; I417-F532 HydrophobicContact CG2-CZ 3.7Å; I417-I560 HydrophobicContact CD1-CD1 3.9Å; I417-I560 HydrophobicContact CD1-CG1 4.14Å; I417-C561 WeakPolarHBondContact CD1-SG 3.49Å
418	M	97.4	Very high	97.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-63.1	-35.2	176.6	-68.6	-63.4	-75.2	0	0	111.3	C386 L390 F399 I414 I415 Y416 Y420 L421 F422 F532	C386-M418 HydrophobicContact CB-CE 4.1Å; C386-M418 HydrophobicContact CB-CG 4.41Å; C386-M418 HydrophobicContact CB-SD 3.86Å; L390-M418 HydrophobicContact CD1-SD 4.1Å; L390-M418 HydrophobicContact CD2-CE 4.23Å; L390-M418 HydrophobicContact CD2-SD 4.16Å; L390-M418 HydrophobicContact CG-SD 4.24Å; F399-M418 HydrophobicContact CD1-CE 3.55Å; F399-M418 HydrophobicContact CE1-CE 3.85Å; I414-M418 HydrophobicContact CG2-CG 4.29Å; I414-M418 WeakPolarHBondContact O-CB 3.47Å; I414-M418 WeakPolarHBondContact O-CG 3.31Å; I414-M418 PolarHBondContact O-N 3.23Å; I415-M418 PolarHBondContact O-N 2.79Å; Y416-M418 VanDerWaalsContact C-N 3.3Å; Y416-M418 PolarHBondContact O-N 3.38Å; M418-Y420 VanDerWaalsContact C-N 3.27Å; M418-Y420 PolarHBondContact O-N 3.33Å; M418-L421 PolarHBondContact O-N 3.17Å; M418-L421 VanDerWaalsContact O-N 3.09Å; M418-F422 HydrophobicContact CE-CD2 4.22Å; M418-F422 HydrophobicContact CE-CE2 3.46Å; M418-F422 VanDerWaalsContact CE-CE2 3.46Å; M418-F422 HydrophobicContact CE-CZ 4.18Å; M418-F422 WeakPolarHBondContact O-CD2 3.11Å; M418-F422 PolarHBondContact O-N 3.1Å; M418-F422 HydrophobicContact SD-CE2 4.4Å; M418-F532 HydrophobicContact SD-CE2 4.27Å
419	G	95.3	Very high	97.1	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-57.4	-33.7	172.3	0	0	0	0	0	114.5	I415 Y416 I417 L421	I415-G419 PolarHBondContact O-N 3.39Å; Y416-G419 WeakPolarHBondContact O-CA 3.47Å; Y416-G419 PolarHBondContact O-N 2.65Å; I417-G419 VanDerWaalsContact C-N 3.25Å; I417-G419 PolarHBondContact O-N 3.33Å; G419-L421 VanDerWaalsContact C-N 3.33Å
420	Y	93.1	Very high	97.1	Very high	24 Å²	24	10.3 Å²	10.3	9%	0.094	5%	0.047	C	C	.	.	H	α-helix	trans	-71.5	-27	175.6	-85.2	-111.7	0	0	0	113.3	M111 T119 E122 L123 L126 Y416 I417 M418	M111-Y420 HydrophobicContact CE-CD1 4.21Å; M111-Y420 HydrophobicContact CE-CE1 4.42Å; M111-Y420 HydrophobicContact SD-CD1 3.69Å; M111-Y420 HydrophobicContact SD-CD2 4.18Å; M111-Y420 HydrophobicContact SD-CE1 3.51Å; M111-Y420 VanDerWaalsContact SD-CE1 3.51Å; M111-Y420 HydrophobicContact SD-CE2 4.03Å; M111-Y420 HydrophobicContact SD-CG 4.01Å; T119-Y420 HydrophobicContact CG2-CD1 3.62Å; T119-Y420 HydrophobicContact CG2-CE1 4.44Å; T119-Y420 HydrophobicContact CG2-CG 4.48Å; E122-Y420 HydrophobicContact CB-CE1 4.24Å; L123-Y420 HydrophobicContact CD1-CD1 4.11Å; L123-Y420 HydrophobicContact CD1-CG 4.45Å; L123-Y420 HydrophobicContact CD2-CD1 3.91Å; L123-Y420 HydrophobicContact CD2-CG 3.89Å; L123-Y420 HydrophobicContact CG-CD1 3.62Å; L123-Y420 HydrophobicContact CG-CE1 4.3Å; L123-Y420 HydrophobicContact CG-CG 4.09Å; L126-Y420 HydrophobicContact CD2-CE2 4.22Å; Y416-Y420 HydrophobicContact CD1-CE2 4.2Å; Y416-Y420 HydrophobicContact CD2-CE2 4.4Å; Y416-Y420 AromaticContact CE1-CE2 3.73Å; Y416-Y420 HydrophobicContact CE1-CE2 3.73Å; Y416-Y420 AromaticContact CE2-CE2 3.94Å; Y416-Y420 HydrophobicContact CE2-CE2 3.94Å; Y416-Y420 AromaticContact CZ-CE2 3.59Å; Y416-Y420 WeakPolarHBondContact O-CD2 3.21Å; Y416-Y420 PolarHBondContact O-N 3.24Å; Y416-Y420 PolarHBondContact OH-OH 3.46Å; I417-Y420 WeakPolarHBondContact O-CB 3.37Å; I417-Y420 PolarHBondContact O-N 2.99Å; I417-Y420 VanDerWaalsContact O-N 3.14Å; M418-Y420 VanDerWaalsContact C-N 3.27Å; M418-Y420 PolarHBondContact O-N 3.33Å
421	L	94.9	Very high	97	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.01	5%	0.049	C	C	.	.	H	α-helix	trans	-95.4	-10.5	-173.8	-63	-175.2	0	0	0	113.7	L123 L390 M418 G419 L447 R448 L525 V528	L123-L421 HydrophobicContact CD1-CD2 4.4Å; L390-L421 HydrophobicContact CD1-CD1 3.58Å; L390-L421 HydrophobicContact CD2-CB 4.46Å; L390-L421 HydrophobicContact CD2-CD1 3.58Å; L390-L421 HydrophobicContact CG-CD1 4.23Å; M418-L421 PolarHBondContact O-N 3.17Å; M418-L421 VanDerWaalsContact O-N 3.09Å; G419-L421 VanDerWaalsContact C-N 3.33Å; L421-L447 HydrophobicContact CB-CD1 4.36Å; L421-R448 WeakPolarHBondContact O-CB 3.12Å; L421-R448 PolarHBondContact O-N 2.85Å; L421-L525 HydrophobicContact CD1-CD1 4.25Å; L421-V528 HydrophobicContact CD1-CB 3.81Å; L421-V528 HydrophobicContact CD1-CG1 3.76Å; L421-V528 HydrophobicContact CD1-CG2 3.97Å; L421-V528 HydrophobicContact CD2-CG2 4.28Å; L421-V528 HydrophobicContact CG-CG2 4.37Å
422	F	96.1	Very high	97	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	162.4	-178.4	-74.7	-97.2	0	0	0	111	L390 L393 F399 M418 E424 I425 C444 N446 L447 R448	L390-F422 HydrophobicContact CD2-CE2 3.89Å; L390-F422 HydrophobicContact CD2-CZ 4.39Å; L393-F422 HydrophobicContact CD1-CE1 4.21Å; L393-F422 HydrophobicContact CD1-CZ 3.9Å; F399-F422 HydrophobicContact CB-CE1 4.22Å; F399-F422 HydrophobicContact CB-CZ 4Å; M418-F422 HydrophobicContact CE-CD2 4.22Å; M418-F422 HydrophobicContact CE-CE2 3.46Å; M418-F422 VanDerWaalsContact CE-CE2 3.46Å; M418-F422 HydrophobicContact CE-CZ 4.18Å; M418-F422 WeakPolarHBondContact O-CD2 3.11Å; M418-F422 PolarHBondContact O-N 3.1Å; M418-F422 HydrophobicContact SD-CE2 4.4Å; F422-E424 VanDerWaalsContact C-N 3.3Å; F422-I425 HydrophobicContact CB-CG2 4.42Å; F422-C444 HydrophobicContact CB-CB 3.94Å; F422-C444 HydrophobicContact CD1-CB 3.37Å; F422-C444 HydrophobicContact CD2-CB 3.56Å; F422-C444 HydrophobicContact CE1-CB 3.61Å; F422-C444 HydrophobicContact CE2-CB 3.81Å; F422-C444 HydrophobicContact CG-CB 3.33Å; F422-C444 HydrophobicContact CZ-CB 3.82Å; F422-N446 WeakPolarHBondContact CA-O 3.38Å; F422-L447 HydrophobicContact CD1-CB 4.15Å; F422-L447 HydrophobicContact CD2-CD1 4.28Å; F422-L447 HydrophobicContact CE1-CB 3.72Å; F422-L447 HydrophobicContact CE1-CD1 4.12Å; F422-L447 HydrophobicContact CE2-CD1 3.77Å; F422-L447 HydrophobicContact CZ-CB 4.13Å; F422-L447 HydrophobicContact CZ-CD1 3.7Å; F422-L447 HydrophobicContact CZ-CG 4.49Å; F422-R448 PolarHBondContact O-NE 3.32Å
423	E	95.2	Very high	96.8	Very high	83 Å²	83	11.9 Å²	11.9	39%	0.388	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-42.2	176.4	-170.8	178.9	155.5	0	0	111.4	K445 N446 R448	E423-K445 WeakPolarHBondContact CB-O 3.33Å; E423-K445 PolarHBondContact N-O 2.94Å; E423-N446 HydrophobicContact CB-CB 3.79Å; E423-N446 PolarHBondContact N-O 3.26Å; E423-N446 WeakPolarHBondContact OE2-CB 3.48Å; E423-N446 PolarHBondContact OE2-ND2 2.69Å; E423-R448 PolarHBondContact O-NH2 3.33Å
424	E	96.3	Very high	96.6	Very high	39 Å²	39	16.9 Å²	16.9	18%	0.182	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	143	-174.4	-168.3	175	-160.8	0	0	109	F422 Y426 K445	F422-E424 VanDerWaalsContact C-N 3.3Å; E424-Y426 HydrophobicContact CB-CE2 4.07Å; E424-Y426 VanDerWaalsContact CD-CE2 3.45Å; E424-Y426 HydrophobicContact CG-CD2 4.25Å; E424-Y426 HydrophobicContact CG-CE2 3.52Å; E424-Y426 PolarHBondContact OE1-OH 2.75Å; E424-Y426 WeakPolarHBondContact OE2-CE2 3.39Å; E424-Y426 VanDerWaalsContact OE2-CZ 3.27Å; E424-Y426 PolarHBondContact OE2-OH 2.85Å; E424-K445 HydrophobicContact CB-CB 4.5Å; E424-K445 PolarHBondContact O-N 2.84Å; E424-K445 IonicContact OE2-NZ 3.38Å; E424-K445 PolarHBondContact OE2-NZ 3.23Å
425	I	98.1	Very high	96.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.5	172.2	60	166.2	0	0	0	110.3	S108 W109 I415 F422 L442 V443 C444 F575	S108-I425 CarbonylContact C-O 3.13Å; S108-I425 WeakPolarHBondContact CA-O 3.42Å; W109-I425 HydrophobicContact CB-CG1 4.16Å; W109-I425 HydrophobicContact CE3-CD1 3.99Å; W109-I425 HydrophobicContact CE3-CG1 3.93Å; W109-I425 PolarHBondContact N-O 3.17Å; W109-I425 WeakPolarHBondContact O-CG1 3.4Å; W109-I425 PolarHBondContact O-N 3.43Å; I415-I425 HydrophobicContact CG2-CD1 3.67Å; F422-I425 HydrophobicContact CB-CG2 4.42Å; I425-L442 HydrophobicContact CB-CD1 4.13Å; I425-L442 HydrophobicContact CG2-CD1 4.48Å; I425-V443 CarbonylContact C-O 3.53Å; I425-V443 VanDerWaalsContact CA-O 3.28Å; I425-V443 WeakPolarHBondContact CA-O 3.27Å; I425-C444 HydrophobicContact CG2-CB 4.12Å; I425-F575 HydrophobicContact CD1-CE1 4.29Å
426	Y	98.6	Very high	96.3	Very high	32 Å²	32	19.3 Å²	19.3	13%	0.125	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	144.2	176.2	-58.3	-108.4	0	0	0	110	T106 W107 F206 E424 L442 V443 K445	T106-Y426 HydrophobicContact CG2-CD1 3.83Å; W107-Y426 CarbonylContact O-C 3.45Å; W107-Y426 WeakPolarHBondContact O-CA 3.43Å; W107-Y426 WeakPolarHBondContact O-CB 3.33Å; F206-Y426 AromaticContact CE1-CD1 3.89Å; F206-Y426 HydrophobicContact CE1-CD1 3.89Å; F206-Y426 AromaticContact CE1-CD2 3.79Å; F206-Y426 HydrophobicContact CE1-CD2 3.79Å; F206-Y426 AromaticContact CE1-CE1 3.85Å; F206-Y426 HydrophobicContact CE1-CE1 3.85Å; F206-Y426 AromaticContact CE1-CE2 3.79Å; F206-Y426 HydrophobicContact CE1-CE2 3.79Å; F206-Y426 AromaticContact CE1-CG 3.85Å; F206-Y426 HydrophobicContact CE1-CG 3.85Å; F206-Y426 AromaticContact CE1-CZ 3.8Å; F206-Y426 HydrophobicContact CZ-CD1 4.06Å; F206-Y426 AromaticContact CZ-CD2 3.95Å; F206-Y426 HydrophobicContact CZ-CD2 3.95Å; F206-Y426 HydrophobicContact CZ-CE1 4.47Å; F206-Y426 HydrophobicContact CZ-CE2 4.42Å; F206-Y426 AromaticContact CZ-CG 3.77Å; F206-Y426 HydrophobicContact CZ-CG 3.77Å; E424-Y426 HydrophobicContact CB-CE2 4.07Å; E424-Y426 VanDerWaalsContact CD-CE2 3.45Å; E424-Y426 HydrophobicContact CG-CD2 4.25Å; E424-Y426 HydrophobicContact CG-CE2 3.52Å; E424-Y426 PolarHBondContact OE1-OH 2.75Å; E424-Y426 WeakPolarHBondContact OE2-CE2 3.39Å; E424-Y426 VanDerWaalsContact OE2-CZ 3.27Å; E424-Y426 PolarHBondContact OE2-OH 2.85Å; Y426-L442 CarbonylContact O-C 3.56Å; Y426-L442 WeakPolarHBondContact O-CA 2.83Å; Y426-V443 PolarHBondContact N-O 3.22Å; Y426-V443 PolarHBondContact O-N 3.28Å; Y426-K445 HydrophobicContact CE2-CB 4.47Å; Y426-K445 HydrophobicContact CE2-CD 4.25Å
427	I	98.6	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.4	163.1	-60.7	-73.4	0	0	0	107.8	W107 L403 I415 R440 Y441 L442 F575 M579	W107-I427 PolarHBondContact N-O 3.04Å; W107-I427 PolarHBondContact O-N 3.33Å; L403-I427 HydrophobicContact CD1-CD1 4.08Å; I415-I427 HydrophobicContact CD1-CD1 4.27Å; I427-R440 HydrophobicContact CG2-CB 4.29Å; I427-R440 HydrophobicContact CG2-CG 4.14Å; I427-Y441 CarbonylContact C-O 3.58Å; I427-Y441 WeakPolarHBondContact CA-O 3.36Å; I427-L442 HydrophobicContact CD1-CB 3.94Å; I427-L442 HydrophobicContact CD1-CD1 3.83Å; I427-L442 HydrophobicContact CD1-CG 4.49Å; I427-F575 HydrophobicContact CG1-CZ 4.05Å; I427-M579 HydrophobicContact CB-CG 4.39Å; I427-M579 HydrophobicContact CB-SD 3.39Å; I427-M579 WeakPolarHBondContact CB-SD 3.42Å; I427-M579 HydrophobicContact CG1-SD 3.47Å; I427-M579 WeakPolarHBondContact CG1-SD 3.26Å; I427-M579 HydrophobicContact CG2-CG 4.27Å; I427-M579 HydrophobicContact CG2-SD 3.4Å; I427-M579 WeakPolarHBondContact CG2-SD 3.2Å
428	I	97.9	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	-175.2	-61.9	171.1	0	0	0	110.6	Y105 T106 I205 F206 P430 R440 Y441 V443	Y105-I428 CarbonylContact O-C 3.5Å; Y105-I428 VanDerWaalsContact O-CA 3.28Å; Y105-I428 WeakPolarHBondContact O-CA 3.46Å; T106-I428 HydrophobicContact CG2-CD1 4.2Å; T106-I428 HydrophobicContact CG2-CG1 3.8Å; I205-I428 HydrophobicContact CD1-CG2 3.82Å; I205-I428 HydrophobicContact CG2-CD1 4.42Å; F206-I428 HydrophobicContact CD2-CD1 4.34Å; F206-I428 HydrophobicContact CE2-CD1 3.16Å; F206-I428 HydrophobicContact CZ-CD1 3.3Å; I428-P430 HydrophobicContact CG2-CB 4.34Å; I428-P430 WeakPolarHBondContact O-CD 3.28Å; I428-R440 CarbonylContact O-C 3.48Å; I428-R440 WeakPolarHBondContact O-CA 3.32Å; I428-R440 WeakPolarHBondContact O-CB 3.42Å; I428-Y441 PolarHBondContact N-O 2.95Å; I428-Y441 PolarHBondContact O-N 3.48Å; I428-V443 HydrophobicContact CD1-CG2 4.15Å
429	K	97.7	Very high	95.9	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.065	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	93	162.4	-174.1	175.3	178.7	68.3	0	108.2	Y105 R434 P435 N437 E439 L583	Y105-K429 PolarHBondContact N-O 2.86Å; Y105-K429 VanDerWaalsContact N-O 3.17Å; Y105-K429 PolarHBondContact O-N 2.72Å; K429-R434 PolarHBondContact NZ-O 3.13Å; K429-P435 WeakPolarHBondContact CE-O 3.49Å; K429-N437 PolarHBondContact NZ-O 2.9Å; K429-N437 PolarHBondContact NZ-OD1 3.28Å; K429-N437 VanDerWaalsContact NZ-OD1 3.13Å; K429-E439 PolarHBondContact NZ-O 3.28Å; K429-L583 HydrophobicContact CB-CD2 3.93Å; K429-L583 HydrophobicContact CD-CD2 3.67Å; K429-L583 HydrophobicContact CG-CD2 4.44Å
430	P	97.4	Very high	96	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.109	C	C	.	.			trans	-70.8	153.3	-177.5	30.7	-34.7	0	0	0	110.1	D104 N201 I202 I428 T432 S433 Y441	D104-P430 VanDerWaalsContact OD1-CA 3.23Å; D104-P430 WeakPolarHBondContact OD1-CA 3.27Å; N201-P430 WeakPolarHBondContact OD1-CB 3.22Å; I202-P430 HydrophobicContact CD1-CG 4.21Å; I202-P430 HydrophobicContact CG1-CB 4.12Å; I202-P430 HydrophobicContact CG1-CG 4.09Å; I428-P430 HydrophobicContact CG2-CB 4.34Å; I428-P430 WeakPolarHBondContact O-CD 3.28Å; P430-T432 PolarHBondContact O-N 3.17Å; P430-T432 VanDerWaalsContact O-N 3.08Å; P430-S433 WeakPolarHBondContact O-CA 3.42Å; P430-S433 VanDerWaalsContact O-CB 3.27Å; P430-S433 WeakPolarHBondContact O-CB 3.36Å; P430-S433 PolarHBondContact O-N 2.73Å; P430-Y441 HydrophobicContact CG-CD2 3.96Å; P430-Y441 HydrophobicContact CG-CE2 3.94Å
431	V	96.7	Very high	96.3	Very high	10 Å²	10	21.1 Å²	21.1	6%	0.061	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.3	179	-64.2	0	0	0	0	113.2	G103 D104 Y183 N201 S433 W619	G103-V431 VanDerWaalsContact O-CG1 3.32Å; G103-V431 WeakPolarHBondContact O-CG1 3.24Å; D104-V431 PolarHBondContact OD1-N 3.08Å; Y183-V431 WeakPolarHBondContact CB-O 3.47Å; Y183-V431 HydrophobicContact CD1-CB 3.86Å; Y183-V431 HydrophobicContact CD1-CG2 4.07Å; Y183-V431 HydrophobicContact CD2-CB 3.77Å; Y183-V431 HydrophobicContact CD2-CG1 4.38Å; Y183-V431 WeakPolarHBondContact CD2-O 3.25Å; Y183-V431 HydrophobicContact CE1-CB 3.77Å; Y183-V431 HydrophobicContact CE1-CG1 3.92Å; Y183-V431 HydrophobicContact CE1-CG2 4.14Å; Y183-V431 HydrophobicContact CE2-CB 3.69Å; Y183-V431 HydrophobicContact CE2-CG1 3.78Å; Y183-V431 HydrophobicContact CG-CB 3.84Å; Y183-V431 HydrophobicContact CG-CG2 4.38Å; N201-V431 VanDerWaalsContact OD1-CG2 3.31Å; N201-V431 WeakPolarHBondContact OD1-CG2 3.35Å; N201-V431 PolarHBondContact OD1-N 2.79Å; V431-S433 VanDerWaalsContact C-N 3.33Å; V431-W619 HydrophobicContact CG2-CH2 4.1Å; V431-W619 HydrophobicContact CG2-CZ2 3.76Å
432	T	96.7	Very high	96.5	Very high	26 Å²	26	21.1 Å²	21.1	16%	0.16	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.5	172.1	48.1	0	0	0	0	114.3	I186 M197 K198 N201 P430 W619	I186-T432 HydrophobicContact CD1-CG2 4.43Å; I186-T432 HydrophobicContact CG2-CG2 4.3Å; M197-T432 HydrophobicContact CB-CG2 4.44Å; K198-T432 WeakPolarHBondContact CA-OG1 3.48Å; N201-T432 HydrophobicContact CB-CG2 3.92Å; N201-T432 WeakPolarHBondContact OD1-CG2 3.48Å; N201-T432 PolarHBondContact OD1-N 2.77Å; N201-T432 PolarHBondContact OD1-OG1 2.98Å; P430-T432 PolarHBondContact O-N 3.17Å; P430-T432 VanDerWaalsContact O-N 3.08Å; T432-W619 HydrophobicContact CG2-CH2 3.28Å; T432-W619 HydrophobicContact CG2-CZ2 4.19Å; T432-W619 HydrophobicContact CG2-CZ3 3.68Å
433	S	95.5	Very high	96.6	Very high	2 Å²	2	21 Å²	21	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-81.2	140.3	163.7	-178.4	0	0	0	0	109.2	P430 V431 N437 E439	P430-S433 WeakPolarHBondContact O-CA 3.42Å; P430-S433 VanDerWaalsContact O-CB 3.27Å; P430-S433 WeakPolarHBondContact O-CB 3.36Å; P430-S433 PolarHBondContact O-N 2.73Å; V431-S433 VanDerWaalsContact C-N 3.33Å; S433-N437 PolarHBondContact OG-OD1 3.15Å; S433-E439 PolarHBondContact OG-O 3.41Å; S433-E439 PolarHBondContact OG-OE1 3.26Å
434	R	94.1	Very high	96.8	Very high	105 Å²	105	17 Å²	17	40%	0.396	9%	0.085	S	C	.	.			trans	-65.7	130.7	-175.2	-65.9	179.8	164.3	168.4	-2.6	110.1	H177 K429 A436 N437	H177-R434 VanDerWaalsContact CE1-CD 3.46Å; H177-R434 WeakPolarHBondContact CE1-CD 3.43Å; H177-R434 VanDerWaalsContact CE1-CG 3.45Å; H177-R434 WeakPolarHBondContact CE1-CG 3.4Å; H177-R434 PolarHBondContact CE1-NE 3.13Å; H177-R434 VanDerWaalsContact NE2-CB 3.34Å; H177-R434 WeakPolarHBondContact NE2-CB 3.26Å; H177-R434 WeakPolarHBondContact NE2-CD 3.45Å; H177-R434 WeakPolarHBondContact NE2-CG 3.46Å; K429-R434 PolarHBondContact NZ-O 3.13Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å; R434-N437 HydrophobicContact CB-CB 4.29Å; R434-N437 VanDerWaalsContact O-CG 3.26Å; R434-N437 PolarHBondContact O-N 3Å; R434-N437 VanDerWaalsContact O-N 3.15Å; R434-N437 PolarHBondContact O-OD1 3.1Å
435	P	94.2	Very high	96.9	Very high	40 Å²	40	17.8 Å²	17.8	26%	0.26	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.5	-176.8	-28.9	35.8	0	0	0	113.6	K429 N437 A590	K429-P435 WeakPolarHBondContact CE-O 3.49Å; P435-N437 VanDerWaalsContact C-N 3.35Å; P435-N437 PolarHBondContact O-N 2.98Å; P435-A590 HydrophobicContact CB-CB 3.66Å
436	A	94.2	Very high	96.8	Very high	17 Å²	17	20 Å²	20	14%	0.14	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.1	-176.2	0	0	0	0	0	115.2	R434 Q587 A590 L591 L594	R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å; A436-Q587 PolarHBondContact O-NE2 2.82Å; A436-A590 HydrophobicContact CB-CB 4.17Å; A436-L591 HydrophobicContact CB-CD2 3.9Å; A436-L591 HydrophobicContact CB-CG 4.15Å; A436-L594 HydrophobicContact CB-CD2 4.22Å
437	N	93.2	Very high	96.8	Very high	46 Å²	46	18.7 Å²	18.7	25%	0.246	10%	0.095	C	C	.	.	S	Bend	trans	-94.8	165.6	179.8	79.9	8.4	0	0	0	112.2	K429 S433 R434 P435 E439 Q587	K429-N437 PolarHBondContact NZ-O 2.9Å; K429-N437 PolarHBondContact NZ-OD1 3.28Å; K429-N437 VanDerWaalsContact NZ-OD1 3.13Å; S433-N437 PolarHBondContact OG-OD1 3.15Å; R434-N437 HydrophobicContact CB-CB 4.29Å; R434-N437 VanDerWaalsContact O-CG 3.26Å; R434-N437 PolarHBondContact O-N 3Å; R434-N437 VanDerWaalsContact O-N 3.15Å; R434-N437 PolarHBondContact O-OD1 3.1Å; P435-N437 VanDerWaalsContact C-N 3.35Å; P435-N437 PolarHBondContact O-N 2.98Å; N437-E439 VanDerWaalsContact C-N 3.29Å; N437-E439 WeakPolarHBondContact ND2-CB 3.19Å; N437-E439 PolarHBondContact O-N 3.26Å; N437-E439 WeakPolarHBondContact OD1-CB 3.47Å; N437-E439 PolarHBondContact OD1-N 2.89Å; N437-Q587 PolarHBondContact O-NE2 3.46Å
438	S	95.4	Very high	96.5	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.049	12%	0.118	C	C	.	.			trans	-83	-1.3	176.4	-59	0	0	0	0	114	K162 F404 D405 R440 Q587	K162-S438 WeakPolarHBondContact CE-OG 3.4Å; K162-S438 PolarHBondContact NZ-OG 3.47Å; F404-S438 CarbonylContact C-O 3.49Å; F404-S438 VanDerWaalsContact C-O 3.22Å; F404-S438 VanDerWaalsContact CA-O 3.28Å; F404-S438 WeakPolarHBondContact CA-O 3.35Å; D405-S438 VanDerWaalsContact CG-CB 3.47Å; D405-S438 VanDerWaalsContact OD1-CB 3.24Å; D405-S438 WeakPolarHBondContact OD1-CB 3.5Å; D405-S438 PolarHBondContact OD1-OG 3.24Å; D405-S438 VanDerWaalsContact OD2-CB 3.32Å; D405-S438 WeakPolarHBondContact OD2-CB 3.34Å; D405-S438 PolarHBondContact OD2-OG 3.24Å; S438-R440 PolarHBondContact O-N 3.32Å; S438-R440 PolarHBondContact O-NE 3.37Å; S438-R440 PolarHBondContact O-NH2 3.26Å; S438-Q587 PolarHBondContact OG-NE2 3.31Å
439	E	95.9	Very high	96.2	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	13%	0.127	C	C	.	.			trans	-67.3	125.4	-174.7	-175.7	-169.3	102.4	0	0	110.8	K198 K402 F404 K429 S433 N437 Y441	K198-E439 WeakPolarHBondContact CD-OE1 3.31Å; K198-E439 WeakPolarHBondContact CE-OE1 3.06Å; K198-E439 IonicContact NZ-OE1 3.84Å; K198-E439 PolarHBondContact NZ-OE1 2.82Å; K198-E439 IonicContact NZ-OE2 2.79Å; K198-E439 PolarHBondContact NZ-OE2 2.78Å; K402-E439 HydrophobicContact CD-CG 3.87Å; K402-E439 WeakPolarHBondContact CE-OE2 3.45Å; K402-E439 HydrophobicContact CG-CG 3.89Å; K402-E439 IonicContact NZ-OE2 2.67Å; F404-E439 HydrophobicContact CD1-CB 4.33Å; F404-E439 HydrophobicContact CE1-CB 4.21Å; K429-E439 PolarHBondContact NZ-O 3.28Å; S433-E439 PolarHBondContact OG-O 3.41Å; S433-E439 PolarHBondContact OG-OE1 3.26Å; N437-E439 VanDerWaalsContact C-N 3.29Å; N437-E439 WeakPolarHBondContact ND2-CB 3.19Å; N437-E439 PolarHBondContact O-N 3.26Å; N437-E439 WeakPolarHBondContact OD1-CB 3.47Å; N437-E439 PolarHBondContact OD1-N 2.89Å; E439-Y441 VanDerWaalsContact CD-OH 3.24Å; E439-Y441 HydrophobicContact CG-CE2 4.13Å; E439-Y441 PolarHBondContact OE1-OH 3.17Å
440	R	97	Very high	95.8	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	173.7	173.1	64.9	-152.2	70.4	179.3	9.7	109.4	L403 F404 D405 I427 I428 S438	L403-R440 HydrophobicContact CB-CG 4.09Å; L403-R440 PolarHBondContact N-O 3.37Å; L403-R440 PolarHBondContact O-N 2.78Å; F404-R440 WeakPolarHBondContact O-CD 3.45Å; F404-R440 WeakPolarHBondContact O-CG 3.47Å; F404-R440 PolarHBondContact O-NE 2.73Å; D405-R440 IonicContact OD1-CZ 3.4Å; D405-R440 IonicContact OD1-NH2 3.18Å; D405-R440 PolarHBondContact OD1-NH2 2.87Å; I427-R440 HydrophobicContact CG2-CB 4.29Å; I427-R440 HydrophobicContact CG2-CG 4.14Å; I428-R440 CarbonylContact O-C 3.48Å; I428-R440 WeakPolarHBondContact O-CA 3.32Å; I428-R440 WeakPolarHBondContact O-CB 3.42Å; S438-R440 PolarHBondContact O-N 3.32Å; S438-R440 PolarHBondContact O-NE 3.37Å; S438-R440 PolarHBondContact O-NH2 3.26Å
441	Y	98.5	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.9	-177	-65.9	-92.3	0	0	0	110.6	K198 I202 F232 L400 T401 K402 I427 I428 P430 E439	K198-Y441 HydrophobicContact CD-CE2 4.44Å; K198-Y441 WeakPolarHBondContact CD-OH 3.46Å; K198-Y441 PolarHBondContact NZ-OH 3.39Å; I202-Y441 HydrophobicContact CD1-CD1 4Å; I202-Y441 HydrophobicContact CD1-CD2 3.76Å; I202-Y441 HydrophobicContact CD1-CE1 4.37Å; I202-Y441 HydrophobicContact CD1-CE2 4.17Å; I202-Y441 HydrophobicContact CD1-CG 3.69Å; F232-Y441 AromaticContact CZ-CE1 3.95Å; F232-Y441 HydrophobicContact CZ-CE1 3.95Å; L400-Y441 HydrophobicContact CD1-CD1 3.82Å; L400-Y441 HydrophobicContact CD1-CG 4.09Å; L400-Y441 HydrophobicContact CG-CD1 4.39Å; T401-Y441 CarbonylContact O-C 3.6Å; T401-Y441 VanDerWaalsContact O-CA 3.3Å; T401-Y441 WeakPolarHBondContact O-CA 3.41Å; K402-Y441 HydrophobicContact CB-CD1 4.21Å; K402-Y441 HydrophobicContact CB-CE1 3.87Å; K402-Y441 VanDerWaalsContact CE-OH 3.29Å; K402-Y441 WeakPolarHBondContact CE-OH 3.43Å; K402-Y441 HydrophobicContact CG-CE1 4.29Å; I427-Y441 CarbonylContact C-O 3.58Å; I427-Y441 WeakPolarHBondContact CA-O 3.36Å; I428-Y441 PolarHBondContact N-O 2.95Å; I428-Y441 PolarHBondContact O-N 3.48Å; P430-Y441 HydrophobicContact CG-CD2 3.96Å; P430-Y441 HydrophobicContact CG-CE2 3.94Å; E439-Y441 VanDerWaalsContact CD-OH 3.24Å; E439-Y441 HydrophobicContact CG-CE2 4.13Å; E439-Y441 PolarHBondContact OE1-OH 3.17Å
442	L	98.6	Very high	95.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.5	164	172.1	66.3	0	0	0	108.4	L400 T401 L403 I415 I425 Y426 I427	L400-L442 WeakPolarHBondContact CA-O 3.03Å; T401-L442 HydrophobicContact CG2-CB 3.94Å; T401-L442 HydrophobicContact CG2-CD2 4.21Å; T401-L442 HydrophobicContact CG2-CG 4.45Å; T401-L442 PolarHBondContact N-O 3.11Å; T401-L442 PolarHBondContact O-N 2.94Å; L403-L442 HydrophobicContact CD1-CB 3.68Å; L403-L442 HydrophobicContact CG-CB 4.21Å; I415-L442 HydrophobicContact CG1-CD2 4.43Å; I425-L442 HydrophobicContact CB-CD1 4.13Å; I425-L442 HydrophobicContact CG2-CD1 4.48Å; Y426-L442 CarbonylContact O-C 3.56Å; Y426-L442 WeakPolarHBondContact O-CA 2.83Å; I427-L442 HydrophobicContact CD1-CB 3.94Å; I427-L442 HydrophobicContact CD1-CD1 3.83Å; I427-L442 HydrophobicContact CD1-CG 4.49Å
443	V	98.8	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.6	171	173.2	0	0	0	0	108.3	I202 F206 M209 F210 F399 L400 I425 Y426 I428	I202-V443 HydrophobicContact CG2-CG2 4.34Å; F206-V443 HydrophobicContact CE1-CG1 4.41Å; F206-V443 HydrophobicContact CE2-CB 4.14Å; F206-V443 HydrophobicContact CE2-CG1 3.85Å; F206-V443 HydrophobicContact CE2-CG2 3.86Å; F206-V443 HydrophobicContact CZ-CB 4.01Å; F206-V443 HydrophobicContact CZ-CG1 3.71Å; F206-V443 HydrophobicContact CZ-CG2 4.2Å; M209-V443 HydrophobicContact CE-CG1 3.79Å; F210-V443 HydrophobicContact CZ-CG1 3.81Å; F210-V443 HydrophobicContact CZ-CG2 4.14Å; F399-V443 CarbonylContact O-C 3.52Å; F399-V443 WeakPolarHBondContact O-CA 3.42Å; L400-V443 HydrophobicContact CD1-CG2 3.47Å; L400-V443 VanDerWaalsContact CD1-CG2 3.47Å; I425-V443 CarbonylContact C-O 3.53Å; I425-V443 VanDerWaalsContact CA-O 3.28Å; I425-V443 WeakPolarHBondContact CA-O 3.27Å; Y426-V443 PolarHBondContact N-O 3.22Å; Y426-V443 PolarHBondContact O-N 3.28Å; I428-V443 HydrophobicContact CD1-CG2 4.15Å
444	C	98.7	Very high	94.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	120.1	173.4	-42.8	0	0	0	0	109.1	H398 F399 F422 I425	H398-C444 WeakPolarHBondContact CA-O 3.5Å; F399-C444 HydrophobicContact CB-CB 4.08Å; F399-C444 PolarHBondContact N-O 3.37Å; F399-C444 PolarHBondContact O-N 3.05Å; F422-C444 HydrophobicContact CB-CB 3.94Å; F422-C444 HydrophobicContact CD1-CB 3.37Å; F422-C444 HydrophobicContact CD2-CB 3.56Å; F422-C444 HydrophobicContact CE1-CB 3.61Å; F422-C444 HydrophobicContact CE2-CB 3.81Å; F422-C444 HydrophobicContact CG-CB 3.33Å; F422-C444 HydrophobicContact CZ-CB 3.82Å; I425-C444 HydrophobicContact CG2-CB 4.12Å
445	K	98.3	Very high	94.9	Very high	54 Å²	54	34.9 Å²	34.9	24%	0.235	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.8	-174.3	177.3	-179.8	169.2	-162.8	0	110.3	M209 E423 E424 Y426	M209-K445 HydrophobicContact SD-CB 4.29Å; M209-K445 HydrophobicContact SD-CD 3.93Å; M209-K445 HydrophobicContact SD-CG 3.77Å; E423-K445 WeakPolarHBondContact CB-O 3.33Å; E423-K445 PolarHBondContact N-O 2.94Å; E424-K445 HydrophobicContact CB-CB 4.5Å; E424-K445 PolarHBondContact O-N 2.84Å; E424-K445 IonicContact OE2-NZ 3.38Å; E424-K445 PolarHBondContact OE2-NZ 3.23Å; Y426-K445 HydrophobicContact CE2-CB 4.47Å; Y426-K445 HydrophobicContact CE2-CD 4.25Å
446	N	97.3	Very high	94.8	Very high	46 Å²	46	33 Å²	33	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	88.6	175.8	-65.4	-17.9	0	0	0	114.2	G396 G397 H398 F422 E423 R448	G396-N446 PolarHBondContact O-OD1 2.91Å; G397-N446 PolarHBondContact O-N 3.16Å; H398-N446 PolarHBondContact CE1-OD1 2.92Å; H398-N446 PolarHBondContact ND1-N 3.45Å; F422-N446 WeakPolarHBondContact CA-O 3.38Å; E423-N446 HydrophobicContact CB-CB 3.79Å; E423-N446 PolarHBondContact N-O 3.26Å; E423-N446 WeakPolarHBondContact OE2-CB 3.48Å; E423-N446 PolarHBondContact OE2-ND2 2.69Å; N446-R448 PolarHBondContact O-N 3.03Å
447	L	97.2	Very high	94.5	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	120.4	172.8	179.3	70.2	0	0	0	110.7	L390 L393 G396 G397 L421 F422 S449 L525	L390-L447 HydrophobicContact CD2-CD1 3.89Å; L393-L447 HydrophobicContact CB-CD2 3.79Å; G396-L447 PolarHBondContact N-O 3.28Å; G397-L447 PolarHBondContact O-N 3.47Å; L421-L447 HydrophobicContact CB-CD1 4.36Å; F422-L447 HydrophobicContact CD1-CB 4.15Å; F422-L447 HydrophobicContact CD2-CD1 4.28Å; F422-L447 HydrophobicContact CE1-CB 3.72Å; F422-L447 HydrophobicContact CE1-CD1 4.12Å; F422-L447 HydrophobicContact CE2-CD1 3.77Å; F422-L447 HydrophobicContact CZ-CB 4.13Å; F422-L447 HydrophobicContact CZ-CD1 3.7Å; F422-L447 HydrophobicContact CZ-CG 4.49Å; L447-S449 PolarHBondContact O-N 3.16Å; L447-L525 HydrophobicContact CD1-CD1 4.28Å; L447-L525 HydrophobicContact CD2-CD2 4.32Å
448	R	93.5	Very high	94.2	Very high	130 Å²	130	30.3 Å²	30.3	49%	0.491	16%	0.16	S	C	.	.			trans	-80.6	103.6	171.3	-59.7	179.9	-174.7	-92.2	7	108.5	L421 F422 E423 N446	L421-R448 WeakPolarHBondContact O-CB 3.12Å; L421-R448 PolarHBondContact O-N 2.85Å; F422-R448 PolarHBondContact O-NE 3.32Å; E423-R448 PolarHBondContact O-NH2 3.33Å; N446-R448 PolarHBondContact O-N 3.03Å
449	S	91.3	Very high	93.7	Very high	26 Å²	26	33.8 Å²	33.8	18%	0.182	18%	0.182	C	C	.	.			trans	-128.5	134.5	178	-177.8	0	0	0	0	110.5	L447 L451 L525	L447-S449 PolarHBondContact O-N 3.16Å; S449-L451 PolarHBondContact O-N 2.82Å; S449-L451 WeakPolarHBondContact OG-CB 3.18Å; S449-L451 PolarHBondContact OG-N 3.08Å; S449-L525 WeakPolarHBondContact OG-CD2 3.26Å
450	P	89	Confident	92.9	Very high	86 Å²	86	35.4 Å²	35.4	56%	0.558	20%	0.198	S	C	*	.	S	Bend	trans	-75	-12	170.6	32.8	-35.9	0	0	0	112.6	E521	P450-E521 VanDerWaalsContact CG-O 3.27Å; P450-E521 WeakPolarHBondContact CG-O 3.31Å
451	L	90.2	Very high	91.7	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	20%	0.203	C	C	.	.	S	Bend	trans	-78.9	156.4	179.1	-53.6	177.4	0	0	0	110.3	P395 S449 T453 A455 E521	P395-L451 WeakPolarHBondContact CG-O 3.4Å; S449-L451 PolarHBondContact O-N 2.82Å; S449-L451 WeakPolarHBondContact OG-CB 3.18Å; S449-L451 PolarHBondContact OG-N 3.08Å; L451-T453 VanDerWaalsContact C-N 3.33Å; L451-T453 WeakPolarHBondContact CB-O 3.49Å; L451-A455 HydrophobicContact CD1-CB 4.04Å; L451-E521 HydrophobicContact CD2-CB 4.36Å
452	N	90.6	Very high	89.9	Confident	160 Å²	160	46 Å²	46	86%	0.856	25%	0.246	S	C	*	.	S	Bend	trans	-89.3	-2.6	169.9	-67.5	-41.7	0	0	0	113
453	T	92.5	Very high	87.8	Confident	58 Å²	58	49.4 Å²	49.4	36%	0.356	27%	0.27	S	S	.	.	S	Bend	trans	-137.1	174	-170.7	54.3	0	0	0	0	110	N353 L451	N353-T453 HydrophobicContact CB-CG2 4.38Å; N353-T453 WeakPolarHBondContact O-CB 3.3Å; L451-T453 VanDerWaalsContact C-N 3.33Å; L451-T453 WeakPolarHBondContact CB-O 3.49Å
454	M	94.4	Very high	85.1	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.044	29%	0.289	C	S	.	.			trans	-57.7	153.3	166.1	71.5	-170.1	-90.1	0	0	110.7	A344 I347 N353 A354 I391 N392 L393	A344-M454 HydrophobicContact CB-CE 3.96Å; I347-M454 HydrophobicContact CG2-CE 4.41Å; I347-M454 HydrophobicContact CG2-SD 4Å; N353-M454 WeakPolarHBondContact O-CG 3.25Å; N353-M454 PolarHBondContact O-N 2.85Å; A354-M454 PolarHBondContact O-N 2.95Å; A354-M454 VanDerWaalsContact O-N 3.13Å; I391-M454 WeakPolarHBondContact O-CE 3.41Å; N392-M454 HydrophobicContact CB-CE 4.48Å; N392-M454 WeakPolarHBondContact OD1-CE 3.4Å; L393-M454 WeakPolarHBondContact O-CA 3.23Å
455	A	93.8	Very high	82	Confident	8 Å²	8	56.7 Å²	56.7	7%	0.066	32%	0.321	C	S	.	.			trans	-69	-45.7	177.8	0	0	0	0	0	112.1	L451 L516 L525 I529	L451-A455 HydrophobicContact CD1-CB 4.04Å; A455-L516 HydrophobicContact CB-CD2 4.4Å; A455-L516 WeakPolarHBondContact O-CB 3.03Å; A455-L516 WeakPolarHBondContact O-CD1 3.46Å; A455-L525 HydrophobicContact CB-CD2 3.92Å; A455-L525 HydrophobicContact CB-CG 4.3Å; A455-I529 HydrophobicContact CB-CD1 3.55Å
456	G	91.9	Very high	78.8	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.01	35%	0.348	C	S	.	.			trans	81	175.4	-165.9	0	0	0	0	0	112.6	I391 G514	I391-G456 PolarHBondContact O-N 3.24Å; G456-G514 CarbonylContact C-O 3.6Å; G456-G514 WeakPolarHBondContact CA-O 3.3Å
457	C	88.2	Confident	75.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-89.3	145.7	-178.9	-165.9	0	0	0	0	110.5	W337 A341 A344 I391 G514 I515 L516	W337-C457 PolarHBondContact NE1-SG 3.33Å; W337-C457 VanDerWaalsContact NE1-SG 3.37Å; A341-C457 HydrophobicContact CB-CB 4.11Å; A344-C457 HydrophobicContact CB-CB 4.49Å; I391-C457 HydrophobicContact CD1-CB 4.17Å; I391-C457 HydrophobicContact CG2-CB 4.29Å; C457-G514 PolarHBondContact N-O 2.98Å; C457-I515 CarbonylContact O-C 3.56Å; C457-I515 WeakPolarHBondContact O-CA 3.36Å; C457-L516 PolarHBondContact O-N 3.21Å
458	L	86.9	Confident	72.3	Confident	6 Å²	6	69.4 Å²	69.4	3%	0.031	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-71.1	159.4	174.8	-71.1	170	0	0	0	112	W337 L516 I519 I529 N530 L533	W337-L458 PolarHBondContact NE1-O 3.33Å; L458-L516 HydrophobicContact CD2-CB 3.93Å; L458-L516 HydrophobicContact CD2-CD2 3.75Å; L458-L516 HydrophobicContact CD2-CG 3.87Å; L458-L516 HydrophobicContact CG-CD2 4.32Å; L458-I519 HydrophobicContact CD2-CD1 3.85Å; L458-I519 HydrophobicContact CD2-CG1 3.61Å; L458-I529 HydrophobicContact CD1-CG2 3.99Å; L458-I529 HydrophobicContact CG-CG2 4.06Å; L458-N530 HydrophobicContact CD1-CB 3.44Å; L458-N530 VanDerWaalsContact CD1-CB 3.44Å; L458-L533 HydrophobicContact CB-CD1 3.81Å; L458-L533 HydrophobicContact CD1-CD1 4.09Å; L458-L533 HydrophobicContact CG-CD1 4.28Å
459	P	84.2	Confident	69.1	Low	80 Å²	80	70.2 Å²	70.2	52%	0.519	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-53	154.6	174.1	-25.1	34.4	0	0	0	112.3	I515	P459-I515 HydrophobicContact CG-CG2 4.15Å
460	A	79.8	Confident	65.9	Low	47 Å²	47	74.1 Å²	74.1	39%	0.388	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-52.9	135.6	-176.1	0	0	0	0	0	111.5	W337 S464	W337-A460 HydrophobicContact CD2-CB 4.4Å; W337-A460 HydrophobicContact CE3-CB 4.11Å; W337-A460 HydrophobicContact CH2-CB 3.41Å; W337-A460 VanDerWaalsContact CH2-CB 3.41Å; W337-A460 HydrophobicContact CZ2-CB 3.7Å; W337-A460 VanDerWaalsContact CZ2-N 3.26Å; W337-A460 HydrophobicContact CZ3-CB 3.62Å; A460-S464 WeakPolarHBondContact CB-OG 3.45Å
461	P	71.7	Confident	63.2	Low	20 Å²	20	79.3 Å²	79.3	13%	0.13	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.9	175.1	23.4	-33.3	0	0	0	111.6	S463 S464 E537	P461-S463 PolarHBondContact O-N 3.29Å; P461-S464 PolarHBondContact O-N 3.38Å; P461-S464 PolarHBondContact O-OG 3Å; P461-E537 HydrophobicContact CB-CG 4.36Å; P461-E537 WeakPolarHBondContact CB-OE1 3.41Å; P461-E537 WeakPolarHBondContact CB-OE2 3.43Å; P461-E537 VanDerWaalsContact CG-CD 3.4Å; P461-E537 HydrophobicContact CG-CG 4.17Å; P461-E537 WeakPolarHBondContact CG-OE1 3.37Å
462	K	61.8	Low	60.3	Low	205 Å²	205	83.5 Å²	83.5	89%	0.891	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.7	-173.1	-65.8	-178.7	-179	176.3	0	114.3	S465	K462-S465 PolarHBondContact O-OG 2.88Å
463	S	54	Low	57.3	Low	74 Å²	74	83.8 Å²	83.8	52%	0.517	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.2	175.7	55.6	0	0	0	0	114.2	P461	P461-S463 PolarHBondContact O-N 3.29Å
464	S	42.3	Very low	54.3	Low	58 Å²	58	86.5 Å²	86.5	41%	0.406	52%	0.523	S	S	.	.	S	Bend	trans	-94.5	-6.7	-173.9	63.4	0	0	0	0	115	A460 P461 S466	A460-S464 WeakPolarHBondContact CB-OG 3.45Å; P461-S464 PolarHBondContact O-N 3.38Å; P461-S464 PolarHBondContact O-OG 3Å; S464-S466 PolarHBondContact O-N 3.35Å
465	S	33.9	Very low	51	Low	94 Å²	94	92.1 Å²	92.1	66%	0.657	56%	0.558	S	S	*	*			trans	-89.4	7.9	-174.5	59.8	0	0	0	0	115.5	K462 S467	K462-S465 PolarHBondContact O-OG 2.88Å; S465-S467 PolarHBondContact O-N 3.05Å
466	S	30.2	Very low	47.9	Very low	115 Å²	115	97.9 Å²	97.9	80%	0.804	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	18.6	-174.9	63.2	0	0	0	0	115.8	S464	S464-S466 PolarHBondContact O-N 3.35Å
467	S	29.1	Very low	44.9	Very low	101 Å²	101	105.7 Å²	105.7	71%	0.706	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.9	5.9	178	65.3	0	0	0	0	115.9	S465	S465-S467 PolarHBondContact O-N 3.05Å
468	M	28.5	Very low	41.9	Very low	156 Å²	156	115.6 Å²	115.6	77%	0.768	67%	0.667	S	S	*	*	S	Bend	trans	-133.7	125.7	175.1	-65.3	-104.4	99.5	0	0	109.9
469	T	26.3	Very low	39.2	Very low	147 Å²	147	121 Å²	121	90%	0.902	71%	0.705	S	S	*	*			trans	87.5	88	174.2	71.3	0	0	0	0	118.6
470	S	25.2	Very low	36.5	Very low	109 Å²	109	122.6 Å²	122.6	76%	0.762	72%	0.718	S	S	*	*			trans	-144.2	86	138.5	66.9	0	0	0	0	110
471	H	32.2	Very low	34	Very low	195 Å²	195	128.8 Å²	128.8	90%	0.903	74%	0.736	S	S	*	*			trans	-148.8	94.1	145.7	-92.3	-44.7	0	0	0	108.3
472	S	29.5	Very low	31.8	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	77%	0.773	S	S	*	*			trans	-67	131.9	161.5	49.3	0	0	0	0	110.1
473	D	26.1	Very low	30.4	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	77%	0.768	S	S	*	*			trans	13	112.6	153.3	-68.5	-34	0	0	0	118.7
474	S	30.2	Very low	28.9	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	79%	0.786	S	S	*	*			trans	-144.8	115.9	141.7	66.1	0	0	0	0	110.3
475	T	25.8	Very low	28.4	Very low	127 Å²	127	147.5 Å²	147.5	78%	0.779	81%	0.807	S	S	*	*			trans	-45.2	126.4	160.3	42.6	0	0	0	0	112
476	D	28.3	Very low	28.2	Very low	129 Å²	129	154.3 Å²	154.3	69%	0.69	82%	0.818	S	S	*	*				167	136.6	116.2	-97.7	-41.4	0	0	0	114.7
477	Q	28.4	Very low	28.1	Very low	165 Å²	165	158.7 Å²	158.7	77%	0.771	82%	0.822	S	S	*	*			trans	61	113.7	139.5	-65.8	173.6	36.4	0	0	122.5
478	K	26.3	Very low	28.1	Very low	208 Å²	208	163.1 Å²	163.1	90%	0.904	83%	0.83	S	S	*	*			trans	-13.6	121.7	143.8	-68.3	172.7	176.6	173.5	0	115.1
479	S	29.9	Very low	28.1	Very low	120 Å²	120	161.7 Å²	161.7	84%	0.839	83%	0.832	S	S	*	*				-159.8	142.7	127.3	64.7	0	0	0	0	112
480	S	26.6	Very low	28.1	Very low	113 Å²	113	158 Å²	158	79%	0.79	82%	0.824	S	S	*	*			trans	-75.5	133	-178.2	53	0	0	0	0	112.5
481	F	27.6	Very low	28.5	Very low	177 Å²	177	162 Å²	162	78%	0.776	83%	0.83	S	S	*	*			trans	-135.4	105.8	155	-152.6	-106.2	0	0	0	111.5	Q483	F481-Q483 HydrophobicContact CD1-CG 3.99Å; F481-Q483 HydrophobicContact CE1-CG 3.73Å
482	R	25	Very low	28.4	Very low	239 Å²	239	161.4 Å²	161.4	90%	0.902	83%	0.827	S	S	*	*			trans	-72	119.3	166.5	-90.4	174.9	161.7	175.9	-4.1	108.5
483	Q	32.3	Very low	28.2	Very low	167 Å²	167	165.3 Å²	165.3	78%	0.78	83%	0.833	S	S	*	*			trans	-111.8	118.7	155.8	-92.1	-179	-13.8	0	0	110.6	F481	F481-Q483 HydrophobicContact CD1-CG 3.99Å; F481-Q483 HydrophobicContact CE1-CG 3.73Å
484	K	23.7	Very low	28.4	Very low	206 Å²	206	166.3 Å²	166.3	90%	0.896	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-73.5	121.5	174.1	-70.5	172.5	175	175.1	0	109.1
485	T	31.8	Very low	28.4	Very low	137 Å²	137	168.7 Å²	168.7	84%	0.84	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-102.1	136.3	161.9	38.5	0	0	0	0	110.6
486	R	29.8	Very low	28.4	Very low	238 Å²	238	171.7 Å²	171.7	90%	0.898	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-64.7	138.7	-171.8	-79.2	172.1	160.6	172.9	-6.6	112.4
487	K	27.7	Very low	28.4	Very low	206 Å²	206	170.8 Å²	170.8	90%	0.896	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-78.2	129.4	167	-72.1	-179.8	174.4	-177.8	0	110.2
488	F	28.6	Very low	28.3	Very low	195 Å²	195	169.2 Å²	169.2	86%	0.855	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-97.6	137.8	157.2	-84.9	-85.4	0	0	0	109
489	P	28.8	Very low	28.4	Very low	125 Å²	125	165.4 Å²	165.4	81%	0.812	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-93.4	135.9	175.6	33.5	-26.9	0	0	0	111.5
490	G	26.8	Very low	28.4	Very low	71 Å²	71	164.5 Å²	164.5	73%	0.732	81%	0.814	S	S	*	*			trans	99.3	91.8	162.8	0	0	0	0	0	115.2
491	Q	33.4	Very low	28.6	Very low	191 Å²	191	166.1 Å²	166.1	89%	0.893	81%	0.814	S	S	*	*			trans	176.8	128.1	131.6	-95.5	171	17.9	0	0	110.1
492	H	30.6	Very low	28.9	Very low	184 Å²	184	161.2 Å²	161.2	85%	0.852	80%	0.802	S	S	*	*			trans	24.1	117.5	164.4	-73	-84.9	0	0	0	120.5	Q494	H492-Q494 PolarHBondContact O-N 3.18Å; H492-Q494 VanDerWaalsContact O-N 3.08Å
493	H	25.4	Very low	29.4	Very low	191 Å²	191	154.1 Å²	154.1	88%	0.884	79%	0.785	S	S	*	*			trans	-57.1	103.2	165.2	-74.5	-14.3	0	0	0	112.3
494	Q	28.9	Very low	29.4	Very low	188 Å²	188	151.5 Å²	151.5	88%	0.879	78%	0.78	S	S	*	*			trans	-109.8	115	144.9	-87.1	-177.6	-9.7	0	0	107.8	H492 Q496	H492-Q494 PolarHBondContact O-N 3.18Å; H492-Q494 VanDerWaalsContact O-N 3.08Å; Q494-Q496 PolarHBondContact O-N 3.28Å; Q494-Q496 VanDerWaalsContact O-N 3.14Å
495	Q	30.7	Very low	30	Very low	165 Å²	165	148.3 Å²	148.3	77%	0.771	77%	0.773	S	S	*	*			trans	-68.6	104.6	176.3	-73.6	176.7	6.2	0	0	109.3	T497	Q495-T497 PolarHBondContact O-N 2.73Å
496	Q	25.5	Very low	30.6	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	75%	0.746	S	S	*	*			trans	-71	103.9	159.1	-90.6	178.1	-9.1	0	0	108.6	Q494	Q494-Q496 PolarHBondContact O-N 3.28Å; Q494-Q496 VanDerWaalsContact O-N 3.14Å
497	T	28.8	Very low	31.1	Very low	110 Å²	110	138.6 Å²	138.6	68%	0.675	73%	0.731	S	S	*	*			trans	-70.1	122.9	162.6	32.5	0	0	0	0	109.8	Q495 I499	Q495-T497 PolarHBondContact O-N 2.73Å; T497-I499 PolarHBondContact O-N 2.72Å; T497-I499 VanDerWaalsContact O-N 3.15Å
498	T	25.7	Very low	31.8	Very low	131 Å²	131	135.7 Å²	135.7	80%	0.804	72%	0.721	S	S	*	*			trans	-63.5	104.3	177	-40.6	0	0	0	0	110.7
499	I	29.5	Very low	32.5	Very low	128 Å²	128	128.7 Å²	128.7	66%	0.656	70%	0.699	S	S	*	*			trans	-113.3	85.4	172.1	-55.2	170	0	0	0	107	T497	T497-I499 PolarHBondContact O-N 2.72Å; T497-I499 VanDerWaalsContact O-N 3.15Å
500	T	28.9	Very low	33.5	Very low	101 Å²	101	124.7 Å²	124.7	62%	0.62	67%	0.674	S	S	*	*			trans	-134.2	-9.7	173.8	55.9	0	0	0	0	114.8
501	N	30.1	Very low	34.6	Very low	147 Å²	147	127 Å²	127	79%	0.786	66%	0.664	S	S	*	*	S	Bend	trans	-112.4	4.1	-172.9	-67.9	6.5	0	0	0	115.2
502	S	34.8	Very low	35.9	Very low	74 Å²	74	126.6 Å²	126.6	52%	0.517	66%	0.659	S	S	.	*	S	Bend	trans	-100.6	-2.2	-176	66.8	0	0	0	0	115.5
503	V	34.9	Very low	37.4	Very low	91 Å²	91	121.3 Å²	121.3	55%	0.552	63%	0.634	S	S	*	*	S	Bend	trans	-89.4	-25.3	-168.8	-178.2	0	0	0	0	112.7
504	V	33.6	Very low	39.4	Very low	111 Å²	111	112.6 Å²	112.6	67%	0.673	60%	0.595	S	S	*	*	S	Bend	trans	-82.3	-40.8	-168.7	-163.9	0	0	0	0	112.5	M507	V504-M507 VanDerWaalsContact O-CB 3.29Å; V504-M507 WeakPolarHBondContact O-CB 3.45Å
505	D	36.8	Very low	41.7	Very low	140 Å²	140	105.4 Å²	105.4	75%	0.749	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-24.1	-175.6	-75.6	-23.5	0	0	0	114.4	M507 E508	D505-M507 PolarHBondContact O-N 3.37Å; D505-E508 PolarHBondContact O-N 2.88Å
506	D	42.5	Very low	44	Very low	51 Å²	51	98 Å²	98	27%	0.273	53%	0.528	S	S	.	.	H	α-helix	trans	-68.7	-15.6	175.8	-132.9	17.5	0	0	0	111.2	E508 S510 K758	D506-E508 VanDerWaalsContact C-N 3.31Å; D506-E508 PolarHBondContact O-N 3.47Å; D506-S510 WeakPolarHBondContact O-CB 3.26Å; D506-S510 PolarHBondContact O-N 3.34Å; D506-S510 PolarHBondContact O-OG 3.3Å; D506-K758 IonicContact OD1-NZ 2.66Å; D506-K758 PolarHBondContact OD1-NZ 3.36Å
507	M	41.7	Very low	46.4	Very low	119 Å²	119	95 Å²	95	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-68	-25.7	179.3	-146.1	-179.7	169.4	0	0	112.7	V504 D505 S510 K511	V504-M507 VanDerWaalsContact O-CB 3.29Å; V504-M507 WeakPolarHBondContact O-CB 3.45Å; D505-M507 PolarHBondContact O-N 3.37Å; M507-S510 VanDerWaalsContact C-OG 3.29Å; M507-S510 WeakPolarHBondContact CA-OG 3.49Å; M507-S510 PolarHBondContact O-OG 3.34Å; M507-S510 VanDerWaalsContact O-OG 3.14Å; M507-K511 WeakPolarHBondContact O-CB 3.41Å; M507-K511 WeakPolarHBondContact O-CD 3.43Å; M507-K511 WeakPolarHBondContact O-CG 3.26Å; M507-K511 PolarHBondContact O-N 2.82Å
508	E	42.5	Very low	48.7	Very low	146 Å²	146	92.7 Å²	92.7	68%	0.682	51%	0.507	S	S	*	.	H	α-helix	trans	-89.8	-35.8	-174	-148.5	166.6	-146	0	0	113.6	D505 D506	D505-E508 PolarHBondContact O-N 2.88Å; D506-E508 VanDerWaalsContact C-N 3.31Å; D506-E508 PolarHBondContact O-N 3.47Å
509	A	42.1	Very low	50.9	Low	48 Å²	48	90.2 Å²	90.2	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-76.6	-33.6	168.9	0	0	0	0	0	112	K511 K512 F513	A509-K511 VanDerWaalsContact C-N 3.28Å; A509-K511 PolarHBondContact O-N 3.15Å; A509-K512 PolarHBondContact O-N 2.89Å; A509-F513 WeakPolarHBondContact O-CD2 3.33Å
510	S	49.5	Very low	53	Low	40 Å²	40	93.4 Å²	93.4	28%	0.28	50%	0.497	S	S	.	.	H	α-helix	trans	-68.4	-27.2	174.2	58.4	0	0	0	0	112.9	S345 D506 M507 K512 F513	S345-S510 PolarHBondContact OG-O 2.96Å; D506-S510 WeakPolarHBondContact O-CB 3.26Å; D506-S510 PolarHBondContact O-N 3.34Å; D506-S510 PolarHBondContact O-OG 3.3Å; M507-S510 VanDerWaalsContact C-OG 3.29Å; M507-S510 WeakPolarHBondContact CA-OG 3.49Å; M507-S510 PolarHBondContact O-OG 3.34Å; M507-S510 VanDerWaalsContact O-OG 3.14Å; S510-K512 PolarHBondContact O-N 3.3Å; S510-F513 PolarHBondContact O-N 3.42Å; S510-F513 VanDerWaalsContact O-N 3.15Å
511	K	51.2	Low	55.4	Low	121 Å²	121	94.9 Å²	94.9	53%	0.526	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.3	169.8	-86.5	168.6	-162.5	179.7	0	113.9	M507 A509 I515	M507-K511 WeakPolarHBondContact O-CB 3.41Å; M507-K511 WeakPolarHBondContact O-CD 3.43Å; M507-K511 WeakPolarHBondContact O-CG 3.26Å; M507-K511 PolarHBondContact O-N 2.82Å; A509-K511 VanDerWaalsContact C-N 3.28Å; A509-K511 PolarHBondContact O-N 3.15Å; K511-I515 WeakPolarHBondContact O-CB 3.44Å; K511-I515 WeakPolarHBondContact O-CG1 3.1Å
512	K	60.4	Low	57.9	Low	181 Å²	181	87.9 Å²	87.9	79%	0.787	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-31.5	175	-86.4	-170.7	174	-176.2	0	113.2	A509 S510	A509-K512 PolarHBondContact O-N 2.89Å; S510-K512 PolarHBondContact O-N 3.3Å
513	F	61.4	Low	60.5	Low	74 Å²	74	85.2 Å²	85.2	33%	0.325	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	129.3	-173.2	-70.6	-82.8	0	0	0	110.6	S345 R349 A509 S510 I515	S345-F513 WeakPolarHBondContact CA-O 3.42Å; S345-F513 VanDerWaalsContact CB-O 3.27Å; S345-F513 WeakPolarHBondContact CB-O 3.43Å; S345-F513 WeakPolarHBondContact OG-CB 3.37Å; S345-F513 PolarHBondContact OG-O 3.1Å; R349-F513 HydrophobicContact CG-CB 4.16Å; R349-F513 HydrophobicContact CG-CD1 3.87Å; R349-F513 HydrophobicContact CG-CD2 4.01Å; R349-F513 HydrophobicContact CG-CE1 4.25Å; R349-F513 HydrophobicContact CG-CE2 4.38Å; R349-F513 HydrophobicContact CG-CG 3.74Å; R349-F513 HydrophobicContact CG-CZ 4.48Å; A509-F513 WeakPolarHBondContact O-CD2 3.33Å; S510-F513 PolarHBondContact O-N 3.42Å; S510-F513 VanDerWaalsContact O-N 3.15Å; F513-I515 PolarHBondContact O-N 3.39Å
514	G	67.2	Low	63.2	Low	7 Å²	7	81.6 Å²	81.6	7%	0.072	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	20.2	179.5	0	0	0	0	0	113.5	G456 C457	G456-G514 CarbonylContact C-O 3.6Å; G456-G514 WeakPolarHBondContact CA-O 3.3Å; C457-G514 PolarHBondContact N-O 2.98Å
515	I	77.3	Confident	66	Low	37 Å²	37	76.4 Å²	76.4	19%	0.19	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-104.9	119.7	166.6	-60.3	-59.7	0	0	0	109.6	A341 C457 P459 K511 F513 T517	A341-I515 HydrophobicContact CB-CD1 4.41Å; C457-I515 CarbonylContact O-C 3.56Å; C457-I515 WeakPolarHBondContact O-CA 3.36Å; P459-I515 HydrophobicContact CG-CG2 4.15Å; K511-I515 WeakPolarHBondContact O-CB 3.44Å; K511-I515 WeakPolarHBondContact O-CG1 3.1Å; F513-I515 PolarHBondContact O-N 3.39Å; I515-T517 HydrophobicContact CG2-CG2 4.19Å; I515-T517 PolarHBondContact O-N 3.24Å
516	L	80.7	Confident	68.7	Low	11 Å²	11	69.7 Å²	69.7	6%	0.058	36%	0.355	C	S	.	.			trans	-76.6	106.6	173.8	179.1	58.7	0	0	0	109	A455 C457 L458	A455-L516 HydrophobicContact CB-CD2 4.4Å; A455-L516 WeakPolarHBondContact O-CB 3.03Å; A455-L516 WeakPolarHBondContact O-CD1 3.46Å; C457-L516 PolarHBondContact O-N 3.21Å; L458-L516 HydrophobicContact CD2-CB 3.93Å; L458-L516 HydrophobicContact CD2-CD2 3.75Å; L458-L516 HydrophobicContact CD2-CG 3.87Å; L458-L516 HydrophobicContact CG-CD2 4.32Å
517	T	74.4	Confident	71.1	Confident	128 Å²	128	68.8 Å²	68.8	79%	0.785	35%	0.349	S	S	*	.			trans	-95.1	-24.9	-179.1	53.1	0	0	0	0	113.7	I515	I515-T517 HydrophobicContact CG2-CG2 4.19Å; I515-T517 PolarHBondContact O-N 3.24Å
518	D	77.5	Confident	73.6	Confident	61 Å²	61	63.1 Å²	63.1	33%	0.326	32%	0.322	S	S	.	.			trans	-112.5	92.2	-179.5	-158.4	-33.8	0	0	0	112.1	K520 E521 S522	D518-K520 PolarHBondContact O-N 3.44Å; D518-K520 WeakPolarHBondContact OD1-CA 3.37Å; D518-K520 WeakPolarHBondContact OD1-CB 2.97Å; D518-K520 PolarHBondContact OD1-N 2.99Å; D518-E521 HydrophobicContact CB-CB 4.13Å; D518-E521 HydrophobicContact CB-CG 4.22Å; D518-E521 PolarHBondContact OD1-N 3.41Å; D518-S522 PolarHBondContact O-N 3.09Å; D518-S522 PolarHBondContact O-OG 3.43Å
519	I	72.1	Confident	76.1	Confident	79 Å²	79	56.1 Å²	56.1	41%	0.405	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-29.1	176.3	-61.9	172.3	0	0	0	111.1	L458 S522	L458-I519 HydrophobicContact CD2-CD1 3.85Å; L458-I519 HydrophobicContact CD2-CG1 3.61Å; I519-S522 VanDerWaalsContact CA-OG 3.31Å; I519-S522 WeakPolarHBondContact CA-OG 3.49Å; I519-S522 PolarHBondContact O-OG 2.74Å
520	K	74.6	Confident	78.6	Confident	195 Å²	195	56.3 Å²	56.3	85%	0.848	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-41.8	-177	-68.1	-177.2	179.1	179.5	0	110.8	D518 S522 G523	D518-K520 PolarHBondContact O-N 3.44Å; D518-K520 WeakPolarHBondContact OD1-CA 3.37Å; D518-K520 WeakPolarHBondContact OD1-CB 2.97Å; D518-K520 PolarHBondContact OD1-N 2.99Å; K520-S522 VanDerWaalsContact C-N 3.3Å; K520-S522 PolarHBondContact O-N 2.77Å; K520-G523 PolarHBondContact O-N 3.24Å
521	E	79.3	Confident	80.8	Confident	132 Å²	132	54.6 Å²	54.6	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.9	177	-72.8	-173.6	167.2	0	0	112.8	P450 L451 D518 G523	P450-E521 VanDerWaalsContact CG-O 3.27Å; P450-E521 WeakPolarHBondContact CG-O 3.31Å; L451-E521 HydrophobicContact CD2-CB 4.36Å; D518-E521 HydrophobicContact CB-CB 4.13Å; D518-E521 HydrophobicContact CB-CG 4.22Å; D518-E521 PolarHBondContact OD1-N 3.41Å; E521-G523 VanDerWaalsContact C-N 3.27Å; E521-G523 PolarHBondContact O-N 3.32Å
522	S	82.1	Confident	83	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-7	180	48	0	0	0	0	114.4	D518 I519 K520 S524 L525 G526	D518-S522 PolarHBondContact O-N 3.09Å; D518-S522 PolarHBondContact O-OG 3.43Å; I519-S522 VanDerWaalsContact CA-OG 3.31Å; I519-S522 WeakPolarHBondContact CA-OG 3.49Å; I519-S522 PolarHBondContact O-OG 2.74Å; K520-S522 VanDerWaalsContact C-N 3.3Å; K520-S522 PolarHBondContact O-N 2.77Å; S522-S524 PolarHBondContact O-N 3.12Å; S522-L525 WeakPolarHBondContact O-CB 3.09Å; S522-L525 PolarHBondContact O-N 3.26Å; S522-L525 VanDerWaalsContact O-N 3.16Å; S522-G526 PolarHBondContact O-N 3.4Å; S522-G526 VanDerWaalsContact OG-CA 3.31Å; S522-G526 WeakPolarHBondContact OG-CA 3.39Å
523	G	88.8	Confident	84.7	Confident	17 Å²	17	40.5 Å²	40.5	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	52.3	-131.1	171.7	0	0	0	0	0	113.6	K520 E521 L525 G526 L527	K520-G523 PolarHBondContact O-N 3.24Å; E521-G523 VanDerWaalsContact C-N 3.27Å; E521-G523 PolarHBondContact O-N 3.32Å; G523-L525 VanDerWaalsContact C-N 3.28Å; G523-L525 PolarHBondContact O-N 3.17Å; G523-G526 PolarHBondContact O-N 3.01Å; G523-L527 PolarHBondContact O-N 3.02Å; G523-L527 VanDerWaalsContact O-N 3.11Å
524	S	91.4	Very high	86.3	Confident	16 Å²	16	40.9 Å²	40.9	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-37.4	180	-61.1	0	0	0	0	113	L120 L123 S522 L527 V528	L120-S524 WeakPolarHBondContact CA-OG 3.2Å; L123-S524 VanDerWaalsContact CD1-CB 3.46Å; S522-S524 PolarHBondContact O-N 3.12Å; S524-L527 PolarHBondContact O-N 3.05Å; S524-V528 WeakPolarHBondContact O-CG2 3.26Å; S524-V528 PolarHBondContact O-N 3.18Å
525	L	93.2	Very high	87.8	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-48.5	179.3	178.2	59.6	0	0	0	111	L390 L421 L447 S449 A455 S522 G523 L527 V528 I529	L390-L525 HydrophobicContact CB-CD1 3.85Å; L390-L525 HydrophobicContact CD2-CD1 3.8Å; L390-L525 HydrophobicContact CG-CD1 4.25Å; L421-L525 HydrophobicContact CD1-CD1 4.25Å; L447-L525 HydrophobicContact CD1-CD1 4.28Å; L447-L525 HydrophobicContact CD2-CD2 4.32Å; S449-L525 WeakPolarHBondContact OG-CD2 3.26Å; A455-L525 HydrophobicContact CB-CD2 3.92Å; A455-L525 HydrophobicContact CB-CG 4.3Å; S522-L525 WeakPolarHBondContact O-CB 3.09Å; S522-L525 PolarHBondContact O-N 3.26Å; S522-L525 VanDerWaalsContact O-N 3.16Å; G523-L525 VanDerWaalsContact C-N 3.28Å; G523-L525 PolarHBondContact O-N 3.17Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.89Å; L525-V528 PolarHBondContact O-N 3.38Å; L525-I529 HydrophobicContact CD1-CD1 3.95Å; L525-I529 HydrophobicContact CD1-CG1 4.32Å; L525-I529 HydrophobicContact CG-CD1 3.94Å; L525-I529 VanDerWaalsContact O-CG1 3.28Å; L525-I529 WeakPolarHBondContact O-CG1 3.37Å; L525-I529 PolarHBondContact O-N 2.9Å
526	G	92.6	Very high	88.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-39.4	177.5	0	0	0	0	0	113.1	S522 G523 N530	S522-G526 PolarHBondContact O-N 3.4Å; S522-G526 VanDerWaalsContact OG-CA 3.31Å; S522-G526 WeakPolarHBondContact OG-CA 3.39Å; G523-G526 PolarHBondContact O-N 3.01Å; G526-N530 PolarHBondContact O-N 2.95Å
527	L	93.1	Very high	89.4	Confident	31 Å²	31	40.2 Å²	40.2	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-49.7	175.9	179.9	68.3	0	0	0	111.6	L120 L123 K124 I127 G523 S524 L525 N530 H531	L120-L527 HydrophobicContact CD1-CB 4.26Å; L120-L527 HydrophobicContact CD1-CD2 3.81Å; L123-L527 HydrophobicContact CB-CD2 4.08Å; K124-L527 HydrophobicContact CB-CD2 4.46Å; K124-L527 HydrophobicContact CG-CD1 4.37Å; K124-L527 HydrophobicContact CG-CD2 3.5Å; I127-L527 HydrophobicContact CD1-CD1 3.91Å; I127-L527 HydrophobicContact CD1-CD2 3.99Å; I127-L527 HydrophobicContact CD1-CG 3.82Å; G523-L527 PolarHBondContact O-N 3.02Å; G523-L527 VanDerWaalsContact O-N 3.11Å; S524-L527 PolarHBondContact O-N 3.05Å; L525-L527 VanDerWaalsContact C-N 3.33Å; L525-L527 PolarHBondContact O-N 2.89Å; L527-N530 PolarHBondContact O-N 3.42Å; L527-H531 WeakPolarHBondContact O-CB 3.22Å; L527-H531 PolarHBondContact O-N 3.26Å
528	V	94.9	Very high	90.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-39.9	-179.1	172.4	0	0	0	0	111.6	L123 L390 I417 L421 S524 L525 N530 H531 F532	L123-V528 HydrophobicContact CD1-CG2 4.4Å; L123-V528 HydrophobicContact CD2-CG2 4.25Å; L390-V528 HydrophobicContact CD1-CB 4.47Å; L390-V528 HydrophobicContact CD1-CG1 3.64Å; I417-V528 HydrophobicContact CG2-CB 4.28Å; I417-V528 HydrophobicContact CG2-CG1 3.48Å; I417-V528 VanDerWaalsContact CG2-CG1 3.48Å; I417-V528 HydrophobicContact CG2-CG2 3.72Å; L421-V528 HydrophobicContact CD1-CB 3.81Å; L421-V528 HydrophobicContact CD1-CG1 3.76Å; L421-V528 HydrophobicContact CD1-CG2 3.97Å; L421-V528 HydrophobicContact CD2-CG2 4.28Å; L421-V528 HydrophobicContact CG-CG2 4.37Å; S524-V528 WeakPolarHBondContact O-CG2 3.26Å; S524-V528 PolarHBondContact O-N 3.18Å; L525-V528 PolarHBondContact O-N 3.38Å; V528-N530 VanDerWaalsContact C-N 3.29Å; V528-N530 PolarHBondContact O-N 2.82Å; V528-H531 PolarHBondContact O-N 3.25Å; V528-F532 HydrophobicContact CG1-CD1 4.08Å; V528-F532 HydrophobicContact CG1-CD2 4.11Å; V528-F532 HydrophobicContact CG1-CE1 3.92Å; V528-F532 HydrophobicContact CG1-CE2 3.94Å; V528-F532 HydrophobicContact CG1-CG 4.19Å; V528-F532 HydrophobicContact CG1-CZ 3.85Å; V528-F532 WeakPolarHBondContact O-CB 3.44Å; V528-F532 PolarHBondContact O-N 2.96Å
529	I	95.2	Very high	91.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-45.3	174.1	-71.3	169.1	0	0	0	110.4	L387 L390 I391 A455 L458 L525 L533	L387-I529 HydrophobicContact CD1-CB 4.41Å; L387-I529 HydrophobicContact CD1-CG2 4Å; L390-I529 HydrophobicContact CB-CD1 4.16Å; L390-I529 HydrophobicContact CB-CG1 3.8Å; L390-I529 HydrophobicContact CD1-CG1 4.48Å; I391-I529 HydrophobicContact CG1-CG2 4.31Å; A455-I529 HydrophobicContact CB-CD1 3.55Å; L458-I529 HydrophobicContact CD1-CG2 3.99Å; L458-I529 HydrophobicContact CG-CG2 4.06Å; L525-I529 HydrophobicContact CD1-CD1 3.95Å; L525-I529 HydrophobicContact CD1-CG1 4.32Å; L525-I529 HydrophobicContact CG-CD1 3.94Å; L525-I529 VanDerWaalsContact O-CG1 3.28Å; L525-I529 WeakPolarHBondContact O-CG1 3.37Å; L525-I529 PolarHBondContact O-N 2.9Å; I529-L533 HydrophobicContact CG2-CD1 4.07Å; I529-L533 WeakPolarHBondContact O-CB 3.45Å; I529-L533 WeakPolarHBondContact O-CG 3.08Å; I529-L533 PolarHBondContact O-N 3.16Å; I529-L533 VanDerWaalsContact O-N 3.07Å
530	N	93.9	Very high	92.3	Very high	52 Å²	52	31.9 Å²	31.9	28%	0.278	16%	0.156	S	C	.	.	H	α-helix	trans	-61.8	-46.1	176.3	-174.9	73.6	0	0	0	112.1	L458 G526 L527 V528 L533 Q534	L458-N530 HydrophobicContact CD1-CB 3.44Å; L458-N530 VanDerWaalsContact CD1-CB 3.44Å; G526-N530 PolarHBondContact O-N 2.95Å; L527-N530 PolarHBondContact O-N 3.42Å; V528-N530 VanDerWaalsContact C-N 3.29Å; V528-N530 PolarHBondContact O-N 2.82Å; N530-L533 PolarHBondContact O-N 3.44Å; N530-Q534 PolarHBondContact ND2-NE2 3.1Å; N530-Q534 PolarHBondContact ND2-OE1 3.34Å; N530-Q534 WeakPolarHBondContact O-CG 3.34Å; N530-Q534 PolarHBondContact O-N 3.09Å
531	H	95.8	Very high	93.1	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-51	179.8	-176.3	36.4	0	0	0	112	I127 I128 L527 V528 L533 Q534 V535 I560	I127-H531 HydrophobicContact CD1-CB 4.19Å; I128-H531 PolarHBondContact O-CE1 2.89Å; L527-H531 WeakPolarHBondContact O-CB 3.22Å; L527-H531 PolarHBondContact O-N 3.26Å; V528-H531 PolarHBondContact O-N 3.25Å; H531-L533 VanDerWaalsContact C-N 3.26Å; H531-L533 PolarHBondContact O-N 3.15Å; H531-Q534 WeakPolarHBondContact O-CB 3.34Å; H531-Q534 PolarHBondContact O-N 3.37Å; H531-Q534 VanDerWaalsContact O-N 3.09Å; H531-V535 WeakPolarHBondContact O-CG2 3.41Å; H531-V535 PolarHBondContact O-N 2.86Å; H531-I560 PolarHBondContact NE2-O 3.22Å; H531-I560 VanDerWaalsContact NE2-O 3.11Å
532	F	97.4	Very high	93.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.6	-34.6	178.7	-77.1	8.5	0	0	0	112.4	L383 C386 L387 L390 I417 M418 V528 N536 I560	L383-F532 HydrophobicContact CD1-CB 4.02Å; L383-F532 HydrophobicContact CD1-CD1 3.63Å; L383-F532 HydrophobicContact CD1-CD2 4.01Å; L383-F532 HydrophobicContact CD1-CE1 4.01Å; L383-F532 HydrophobicContact CD1-CE2 4.37Å; L383-F532 HydrophobicContact CD1-CG 3.61Å; L383-F532 HydrophobicContact CD1-CZ 4.37Å; L383-F532 HydrophobicContact CG-CB 4.42Å; L383-F532 HydrophobicContact CG-CG 4.43Å; C386-F532 HydrophobicContact CB-CD2 4.44Å; C386-F532 HydrophobicContact CB-CE2 3.91Å; L387-F532 HydrophobicContact CB-CB 4.24Å; L387-F532 HydrophobicContact CB-CD2 4.26Å; L387-F532 HydrophobicContact CD1-CB 4.04Å; L387-F532 HydrophobicContact CD2-CB 4.5Å; L387-F532 HydrophobicContact CG-CB 4.48Å; L390-F532 HydrophobicContact CD1-CD2 4.24Å; L390-F532 HydrophobicContact CD1-CE2 4.15Å; I417-F532 HydrophobicContact CB-CE1 4.43Å; I417-F532 HydrophobicContact CB-CZ 4.2Å; I417-F532 HydrophobicContact CD1-CE1 3.78Å; I417-F532 HydrophobicContact CD1-CZ 4.37Å; I417-F532 HydrophobicContact CG2-CE1 3.94Å; I417-F532 HydrophobicContact CG2-CZ 3.7Å; M418-F532 HydrophobicContact SD-CE2 4.27Å; V528-F532 HydrophobicContact CG1-CD1 4.08Å; V528-F532 HydrophobicContact CG1-CD2 4.11Å; V528-F532 HydrophobicContact CG1-CE1 3.92Å; V528-F532 HydrophobicContact CG1-CE2 3.94Å; V528-F532 HydrophobicContact CG1-CG 4.19Å; V528-F532 HydrophobicContact CG1-CZ 3.85Å; V528-F532 WeakPolarHBondContact O-CB 3.44Å; V528-F532 PolarHBondContact O-N 2.96Å; F532-N536 VanDerWaalsContact O-CB 3.3Å; F532-N536 WeakPolarHBondContact O-CB 3.43Å; F532-N536 PolarHBondContact O-N 3.01Å; F532-I560 HydrophobicContact CD1-CD1 4.4Å; F532-I560 HydrophobicContact CE1-CD1 3.82Å
533	L	95.3	Very high	93.9	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.031	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-47.2	172.5	-82	169	0	0	0	112.2	L387 L458 I529 N530 H531 V535 N536 E537	L387-L533 HydrophobicContact CD1-CG 4.08Å; L387-L533 HydrophobicContact CD2-CD2 3.62Å; L387-L533 HydrophobicContact CD2-CG 3.83Å; L458-L533 HydrophobicContact CB-CD1 3.81Å; L458-L533 HydrophobicContact CD1-CD1 4.09Å; L458-L533 HydrophobicContact CG-CD1 4.28Å; I529-L533 HydrophobicContact CG2-CD1 4.07Å; I529-L533 WeakPolarHBondContact O-CB 3.45Å; I529-L533 WeakPolarHBondContact O-CG 3.08Å; I529-L533 PolarHBondContact O-N 3.16Å; I529-L533 VanDerWaalsContact O-N 3.07Å; N530-L533 PolarHBondContact O-N 3.44Å; H531-L533 VanDerWaalsContact C-N 3.26Å; H531-L533 PolarHBondContact O-N 3.15Å; L533-V535 PolarHBondContact O-N 2.59Å; L533-N536 PolarHBondContact O-N 3.23Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.96Å
534	Q	95.8	Very high	93.7	Very high	81 Å²	81	29.7 Å²	29.7	38%	0.379	15%	0.149	S	C	.	.	H	α-helix	trans	-60.5	-44.1	177.3	-70.8	173.2	-24.2	0	0	111.9	P130 N530 H531 E537 K538	P130-Q534 HydrophobicContact CG-CB 4.08Å; N530-Q534 PolarHBondContact ND2-NE2 3.1Å; N530-Q534 PolarHBondContact ND2-OE1 3.34Å; N530-Q534 WeakPolarHBondContact O-CG 3.34Å; N530-Q534 PolarHBondContact O-N 3.09Å; H531-Q534 WeakPolarHBondContact O-CB 3.34Å; H531-Q534 PolarHBondContact O-N 3.37Å; H531-Q534 VanDerWaalsContact O-N 3.09Å; Q534-E537 PolarHBondContact O-N 3.11Å; Q534-K538 PolarHBondContact O-N 3.4Å
535	V	97.5	Very high	93.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-46.1	176.1	175.7	0	0	0	0	110.5	P130 L383 F410 H531 L533 E537 K538 L539 V557 I560	P130-V535 HydrophobicContact CB-CG2 4.06Å; P130-V535 HydrophobicContact CG-CG2 4.21Å; L383-V535 HydrophobicContact CD1-CG1 4.43Å; L383-V535 HydrophobicContact CD2-CB 3.89Å; L383-V535 HydrophobicContact CD2-CG1 3.57Å; F410-V535 HydrophobicContact CE2-CG1 3.93Å; F410-V535 HydrophobicContact CZ-CG1 4.04Å; H531-V535 WeakPolarHBondContact O-CG2 3.41Å; H531-V535 PolarHBondContact O-N 2.86Å; L533-V535 PolarHBondContact O-N 2.59Å; V535-E537 VanDerWaalsContact C-N 3.33Å; V535-E537 PolarHBondContact O-N 3.14Å; V535-K538 WeakPolarHBondContact O-CB 3.33Å; V535-K538 PolarHBondContact O-N 3.09Å; V535-L539 HydrophobicContact CG1-CD1 4.11Å; V535-L539 HydrophobicContact CG1-CG 4.49Å; V535-L539 WeakPolarHBondContact O-CG 3.49Å; V535-L539 PolarHBondContact O-N 3.45Å; V535-V557 HydrophobicContact CG1-CG1 4.36Å; V535-I560 HydrophobicContact CB-CG2 4.39Å; V535-I560 HydrophobicContact CG1-CG2 3.78Å; V535-I560 HydrophobicContact CG2-CB 4.32Å; V535-I560 HydrophobicContact CG2-CG2 3.66Å
536	N	97.1	Very high	92.1	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-41.6	178.7	-179.5	43.6	0	0	0	112.1	T335 Q380 L383 C384 F532 L533 L539 N540	T335-N536 PolarHBondContact O-ND2 2.87Å; Q380-N536 PolarHBondContact NE2-OD1 3.02Å; L383-N536 HydrophobicContact CD2-CB 3.92Å; C384-N536 VanDerWaalsContact SG-CG 3.53Å; C384-N536 PolarHBondContact SG-OD1 3.19Å; F532-N536 VanDerWaalsContact O-CB 3.3Å; F532-N536 WeakPolarHBondContact O-CB 3.43Å; F532-N536 PolarHBondContact O-N 3.01Å; L533-N536 PolarHBondContact O-N 3.23Å; N536-L539 PolarHBondContact O-N 3.34Å; N536-N540 PolarHBondContact O-N 3.33Å; N536-N540 PolarHBondContact O-ND2 2.97Å
537	E	95.1	Very high	90.8	Very high	40 Å²	40	42 Å²	42	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-43.6	174.6	-75.5	165.8	-142.8	0	0	112.2	P461 L533 Q534 V535 L539 N540 Q541	P461-E537 HydrophobicContact CB-CG 4.36Å; P461-E537 WeakPolarHBondContact CB-OE1 3.41Å; P461-E537 WeakPolarHBondContact CB-OE2 3.43Å; P461-E537 VanDerWaalsContact CG-CD 3.4Å; P461-E537 HydrophobicContact CG-CG 4.17Å; P461-E537 WeakPolarHBondContact CG-OE1 3.37Å; L533-E537 WeakPolarHBondContact O-CG 3.49Å; L533-E537 PolarHBondContact O-N 2.96Å; Q534-E537 PolarHBondContact O-N 3.11Å; V535-E537 VanDerWaalsContact C-N 3.33Å; V535-E537 PolarHBondContact O-N 3.14Å; E537-L539 VanDerWaalsContact C-N 3.35Å; E537-L539 PolarHBondContact O-N 3.37Å; E537-N540 PolarHBondContact O-N 3.43Å; E537-Q541 VanDerWaalsContact O-CG 3.25Å; E537-Q541 WeakPolarHBondContact O-CG 3.46Å; E537-Q541 PolarHBondContact O-N 2.76Å
538	K	95.7	Very high	89.3	Confident	38 Å²	38	47.1 Å²	47.1	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-45.3	175.7	-174.7	67.2	170	-166	0	111.5	P130 D131 Q534 V535 N540 Q541 I542 V557	P130-K538 HydrophobicContact CB-CB 3.89Å; P130-K538 HydrophobicContact CB-CG 4.05Å; P130-K538 HydrophobicContact CG-CB 4.24Å; D131-K538 WeakPolarHBondContact OD1-CE 3.33Å; D131-K538 IonicContact OD1-NZ 3.97Å; D131-K538 PolarHBondContact OD1-NZ 3.43Å; Q534-K538 PolarHBondContact O-N 3.4Å; V535-K538 WeakPolarHBondContact O-CB 3.33Å; V535-K538 PolarHBondContact O-N 3.09Å; K538-N540 VanDerWaalsContact C-N 3.33Å; K538-N540 PolarHBondContact O-N 2.94Å; K538-Q541 WeakPolarHBondContact O-CB 3.27Å; K538-Q541 PolarHBondContact O-N 2.71Å; K538-I542 HydrophobicContact CD-CD1 4.46Å; K538-I542 HydrophobicContact CG-CD1 4.01Å; K538-I542 WeakPolarHBondContact O-CG1 3.17Å; K538-I542 PolarHBondContact O-N 3.23Å; K538-V557 HydrophobicContact CB-CG2 4.34Å; K538-V557 HydrophobicContact CG-CG2 3.73Å
539	L	95.6	Very high	87.4	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-42.7	176.3	-71.9	170.7	0	0	0	111.7	Q380 L383 F410 V535 N536 E537 I542 K543 V557	Q380-L539 HydrophobicContact CB-CD1 3.99Å; Q380-L539 HydrophobicContact CG-CB 4.34Å; Q380-L539 HydrophobicContact CG-CD1 3.89Å; L383-L539 HydrophobicContact CD2-CD1 4.16Å; F410-L539 HydrophobicContact CZ-CD1 4.07Å; V535-L539 HydrophobicContact CG1-CD1 4.11Å; V535-L539 HydrophobicContact CG1-CG 4.49Å; V535-L539 WeakPolarHBondContact O-CG 3.49Å; V535-L539 PolarHBondContact O-N 3.45Å; N536-L539 PolarHBondContact O-N 3.34Å; E537-L539 VanDerWaalsContact C-N 3.35Å; E537-L539 PolarHBondContact O-N 3.37Å; L539-I542 PolarHBondContact O-N 3.1Å; L539-K543 WeakPolarHBondContact O-CG 3.44Å; L539-K543 PolarHBondContact O-N 2.76Å; L539-V557 HydrophobicContact CD2-CB 3.99Å; L539-V557 HydrophobicContact CD2-CG2 4.02Å; L539-V557 HydrophobicContact CG-CG2 4.37Å
540	N	93.5	Very high	85.7	Confident	50 Å²	50	55.6 Å²	55.6	27%	0.267	31%	0.305	S	S	.	.	H	α-helix	trans	-63.5	-43	175.3	-76.9	-33.4	0	0	0	112.5	T335 Q380 N536 E537 K538 K543 T544	T335-N540 PolarHBondContact O-ND2 2.7Å; Q380-N540 PolarHBondContact NE2-OD1 3.3Å; N536-N540 PolarHBondContact O-N 3.33Å; N536-N540 PolarHBondContact O-ND2 2.97Å; E537-N540 PolarHBondContact O-N 3.43Å; K538-N540 VanDerWaalsContact C-N 3.33Å; K538-N540 PolarHBondContact O-N 2.94Å; N540-K543 PolarHBondContact O-N 3.17Å; N540-T544 PolarHBondContact O-N 2.96Å; N540-T544 PolarHBondContact O-OG1 3.06Å; N540-T544 VanDerWaalsContact O-OG1 3.11Å
541	Q	91.9	Very high	84	Confident	82 Å²	82	58.8 Å²	58.8	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-45.5	176.1	-70.5	168	26.8	0	0	111.7	E537 K538 K543 T544 N545	E537-Q541 VanDerWaalsContact O-CG 3.25Å; E537-Q541 WeakPolarHBondContact O-CG 3.46Å; E537-Q541 PolarHBondContact O-N 2.76Å; K538-Q541 WeakPolarHBondContact O-CB 3.27Å; K538-Q541 PolarHBondContact O-N 2.71Å; Q541-K543 PolarHBondContact O-N 2.83Å; Q541-T544 PolarHBondContact O-N 3.45Å; Q541-N545 WeakPolarHBondContact O-CB 3.49Å; Q541-N545 VanDerWaalsContact O-CG 3.27Å; Q541-N545 PolarHBondContact O-N 3Å; Q541-N545 PolarHBondContact O-ND2 3.35Å
542	I	91.2	Very high	82.3	Confident	20 Å²	20	64.4 Å²	64.4	10%	0.103	36%	0.356	C	S	.	.	H	α-helix	trans	-59.7	-46.8	177.6	-71.3	171.3	0	0	0	110.5	L136 K538 L539 T544 N545 Q546 L555 V557	L136-I542 HydrophobicContact CD2-CD1 4.32Å; K538-I542 HydrophobicContact CD-CD1 4.46Å; K538-I542 HydrophobicContact CG-CD1 4.01Å; K538-I542 WeakPolarHBondContact O-CG1 3.17Å; K538-I542 PolarHBondContact O-N 3.23Å; L539-I542 PolarHBondContact O-N 3.1Å; I542-T544 VanDerWaalsContact C-N 3.33Å; I542-T544 PolarHBondContact O-N 3.12Å; I542-N545 PolarHBondContact O-N 2.97Å; I542-Q546 HydrophobicContact CG2-CG 4.28Å; I542-Q546 VanDerWaalsContact CG2-NE2 3.32Å; I542-Q546 WeakPolarHBondContact O-CB 3.43Å; I542-Q546 VanDerWaalsContact O-CG 3.3Å; I542-Q546 WeakPolarHBondContact O-CG 3.4Å; I542-Q546 PolarHBondContact O-N 2.83Å; I542-L555 WeakPolarHBondContact CG2-O 3.49Å; I542-V557 HydrophobicContact CD1-CG2 3.97Å
543	K	87.9	Confident	80.9	Confident	110 Å²	110	69.5 Å²	69.5	48%	0.478	39%	0.39	S	S	.	.	H	α-helix	trans	-59.3	-41.5	177.4	-74.8	179.2	175.6	-169.2	0	112.9	Q380 L539 N540 Q541 S547	Q380-K543 VanDerWaalsContact OE1-CE 3.25Å; L539-K543 WeakPolarHBondContact O-CG 3.44Å; L539-K543 PolarHBondContact O-N 2.76Å; N540-K543 PolarHBondContact O-N 3.17Å; Q541-K543 PolarHBondContact O-N 2.83Å; K543-S547 PolarHBondContact O-OG 3.44Å
544	T	84.2	Confident	80.4	Confident	85 Å²	85	75.7 Å²	75.7	52%	0.521	42%	0.416	S	S	.	.	H	α-helix	trans	-67.1	-46.5	177.7	-58.2	0	0	0	0	111.1	N540 Q541 I542 Q546 S547 L548	N540-T544 PolarHBondContact O-N 2.96Å; N540-T544 PolarHBondContact O-OG1 3.06Å; N540-T544 VanDerWaalsContact O-OG1 3.11Å; Q541-T544 PolarHBondContact O-N 3.45Å; I542-T544 VanDerWaalsContact C-N 3.33Å; I542-T544 PolarHBondContact O-N 3.12Å; T544-Q546 PolarHBondContact O-N 3.41Å; T544-S547 WeakPolarHBondContact O-CB 3.43Å; T544-S547 PolarHBondContact O-N 2.97Å; T544-S547 VanDerWaalsContact O-N 3.16Å; T544-L548 HydrophobicContact CG2-CD1 4.11Å; T544-L548 WeakPolarHBondContact O-CD1 3.07Å
545	N	79.7	Confident	80.1	Confident	101 Å²	101	75.7 Å²	75.7	54%	0.54	42%	0.419	S	S	.	.	H	α-helix	trans	-66.1	-37.2	-178.3	-70.2	-20.1	0	0	0	113.2	Q541 I542 S547 L548 S549	Q541-N545 WeakPolarHBondContact O-CB 3.49Å; Q541-N545 VanDerWaalsContact O-CG 3.27Å; Q541-N545 PolarHBondContact O-N 3Å; Q541-N545 PolarHBondContact O-ND2 3.35Å; I542-N545 PolarHBondContact O-N 2.97Å; N545-S547 PolarHBondContact O-N 3.44Å; N545-L548 PolarHBondContact O-N 3.15Å; N545-S549 PolarHBondContact O-N 3.21Å
546	Q	70.5	Confident	80	Confident	77 Å²	77	76.8 Å²	76.8	36%	0.36	42%	0.424	S	S	.	.	H	α-helix	trans	-63.9	-22	176.2	-74.3	-179.7	7.3	0	0	112.9	I542 T544 L548 L555	I542-Q546 HydrophobicContact CG2-CG 4.28Å; I542-Q546 VanDerWaalsContact CG2-NE2 3.32Å; I542-Q546 WeakPolarHBondContact O-CB 3.43Å; I542-Q546 VanDerWaalsContact O-CG 3.3Å; I542-Q546 WeakPolarHBondContact O-CG 3.4Å; I542-Q546 PolarHBondContact O-N 2.83Å; T544-Q546 PolarHBondContact O-N 3.41Å; Q546-L548 VanDerWaalsContact C-N 3.31Å; Q546-L555 PolarHBondContact NE2-O 3.32Å
547	S	64.7	Low	80	Confident	97 Å²	97	76.7 Å²	76.7	68%	0.678	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.3	175.1	-57	0	0	0	0	113	K543 T544 N545	K543-S547 PolarHBondContact O-OG 3.44Å; T544-S547 WeakPolarHBondContact O-CB 3.43Å; T544-S547 PolarHBondContact O-N 2.97Å; T544-S547 VanDerWaalsContact O-N 3.16Å; N545-S547 PolarHBondContact O-N 3.44Å
548	L	61.6	Low	80.1	Confident	139 Å²	139	76.7 Å²	76.7	73%	0.728	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-18.9	-169.1	-76.8	151.2	0	0	0	114.6	T544 N545 Q546	T544-L548 HydrophobicContact CG2-CD1 4.11Å; T544-L548 WeakPolarHBondContact O-CD1 3.07Å; N545-L548 PolarHBondContact O-N 3.15Å; Q546-L548 VanDerWaalsContact C-N 3.31Å
549	S	55.6	Low	80.1	Confident	57 Å²	57	77.4 Å²	77.4	40%	0.399	43%	0.426	S	S	.	.			trans	-137.9	127.6	-172.6	170.4	0	0	0	0	112.3	N545	N545-S549 PolarHBondContact O-N 3.21Å
550	S	59.7	Low	80.2	Confident	122 Å²	122	77.2 Å²	77.2	85%	0.853	43%	0.425	S	S	*	.	S	Bend	trans	-98.2	-2.5	176.2	57.4	0	0	0	0	114.3
551	T	58.4	Low	80.4	Confident	118 Å²	118	74.8 Å²	74.8	72%	0.724	41%	0.413	S	S	*	.	S	Bend	trans	-106.7	-12.1	-165.6	50.1	0	0	0	0	115.8
552	N	61.1	Low	80.6	Confident	122 Å²	122	73.4 Å²	73.4	65%	0.652	41%	0.406	S	S	*	.	S	Bend	trans	-99.8	148.7	175.5	-77.9	-17.4	0	0	0	111.6	K554	N552-K554 PolarHBondContact O-N 2.93Å
553	P	67.7	Low	80.7	Confident	107 Å²	107	73.1 Å²	73.1	70%	0.695	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-56.3	128.4	172.8	23.2	-31.4	0	0	0	109.1	L555	P553-L555 PolarHBondContact O-N 3.39Å; P553-L555 VanDerWaalsContact O-N 3.16Å
554	K	83.7	Confident	80.9	Confident	136 Å²	136	73.6 Å²	73.6	59%	0.591	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-64.2	119.1	176.1	-70.1	-177	-179.4	178	0	107.3	P139 N552	P139-K554 WeakPolarHBondContact CD-O 3.46Å; P139-K554 HydrophobicContact CG-CB 3.99Å; N552-K554 PolarHBondContact O-N 2.93Å
555	L	90.6	Very high	81.3	Confident	82 Å²	82	72.1 Å²	72.1	43%	0.429	40%	0.397	S	S	.	.			trans	-105.1	153.8	171.2	-69.4	173.1	0	0	0	109.5	G137 I542 Q546 P553	G137-L555 CarbonylContact O-C 3.57Å; G137-L555 WeakPolarHBondContact O-CA 3.32Å; I542-L555 WeakPolarHBondContact CG2-O 3.49Å; Q546-L555 PolarHBondContact NE2-O 3.32Å; P553-L555 PolarHBondContact O-N 3.39Å; P553-L555 VanDerWaalsContact O-N 3.16Å
556	D	94.9	Very high	81.9	Confident	22 Å²	22	67.5 Å²	67.5	12%	0.118	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.8	173.8	-162.8	6.3	0	0	0	110.1	L136 G137 P139 K379 L558	L136-D556 WeakPolarHBondContact CA-O 3.24Å; G137-D556 PolarHBondContact N-O 2.85Å; G137-D556 PolarHBondContact O-N 2.89Å; P139-D556 HydrophobicContact CB-CB 4.32Å; P139-D556 HydrophobicContact CG-CB 4.08Å; K379-D556 IonicContact NZ-OD1 3.43Å; K379-D556 PolarHBondContact NZ-OD1 2.82Å; K379-D556 IonicContact NZ-OD2 2.83Å; K379-D556 PolarHBondContact NZ-OD2 3.38Å; D556-L558 HydrophobicContact CB-CD2 4.36Å; D556-L558 PolarHBondContact O-N 3.15Å
557	V	97.3	Very high	83	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	109.2	175.7	-175.2	0	0	0	0	108.9	A135 L136 K379 F410 V535 K538 L539 I542 I560	A135-V557 CarbonylContact O-C 3.56Å; A135-V557 WeakPolarHBondContact O-CA 3.48Å; L136-V557 HydrophobicContact CD2-CG2 4.05Å; K379-V557 PolarHBondContact NZ-O 3.48Å; F410-V557 HydrophobicContact CD2-CG1 4.31Å; F410-V557 WeakPolarHBondContact CD2-O 3.34Å; F410-V557 HydrophobicContact CE2-CB 4.43Å; F410-V557 HydrophobicContact CE2-CG1 4Å; V535-V557 HydrophobicContact CG1-CG1 4.36Å; K538-V557 HydrophobicContact CB-CG2 4.34Å; K538-V557 HydrophobicContact CG-CG2 3.73Å; L539-V557 HydrophobicContact CD2-CB 3.99Å; L539-V557 HydrophobicContact CD2-CG2 4.02Å; L539-V557 HydrophobicContact CG-CG2 4.37Å; I542-V557 HydrophobicContact CD1-CG2 3.97Å; V557-I560 HydrophobicContact CG1-CG2 4.09Å
558	L	96.6	Very high	84.3	Confident	40 Å²	40	71.3 Å²	71.3	21%	0.209	37%	0.372	C	S	.	.			trans	-97.3	-20.6	-174.3	-60.1	-172.7	0	0	0	113.7	A135 I140 F410 D556	A135-L558 PolarHBondContact O-N 3.2Å; I140-L558 HydrophobicContact CD1-CD2 4.26Å; I140-L558 HydrophobicContact CG1-CD2 4.04Å; F410-L558 WeakPolarHBondContact CB-O 3.18Å; F410-L558 PolarHBondContact N-O 3.1Å; F410-L558 VanDerWaalsContact N-O 3.11Å; D556-L558 HydrophobicContact CB-CD2 4.36Å; D556-L558 PolarHBondContact O-N 3.15Å
559	R	95.8	Very high	85.8	Confident	53 Å²	53	66.3 Å²	66.3	20%	0.2	35%	0.346	C	S	.	.			trans	-152.3	157.6	177.7	59.3	179	65.8	156.7	0.4	111	I128 E134 A135 E409 D413 T563	I128-R559 HydrophobicContact CD1-CG 4.48Å; E134-R559 VanDerWaalsContact O-CD 3.29Å; E134-R559 WeakPolarHBondContact O-CD 3.38Å; E134-R559 VanDerWaalsContact O-CG 3.27Å; E134-R559 WeakPolarHBondContact O-CG 3.3Å; E134-R559 IonicContact OE1-NH1 3.94Å; A135-R559 WeakPolarHBondContact CB-O 3.25Å; E409-R559 HydrophobicContact CB-CB 4.4Å; E409-R559 IonicContact OE1-CZ 3.06Å; E409-R559 IonicContact OE1-NE 3.07Å; E409-R559 IonicContact OE1-NH2 3.46Å; E409-R559 PolarHBondContact OE1-NH2 3.13Å; E409-R559 IonicContact OE2-CZ 3.32Å; E409-R559 IonicContact OE2-NE 3.78Å; E409-R559 IonicContact OE2-NH2 3.13Å; E409-R559 PolarHBondContact OE2-NH2 3.33Å; D413-R559 VanDerWaalsContact OD2-CA 3.32Å; D413-R559 WeakPolarHBondContact OD2-CA 3.46Å; D413-R559 VanDerWaalsContact OD2-CB 3.31Å; D413-R559 WeakPolarHBondContact OD2-CB 3.48Å; R559-T563 PolarHBondContact NE-OG1 3.28Å; R559-T563 PolarHBondContact NH1-OG1 3.08Å; R559-T563 PolarHBondContact NH2-OG1 3.25Å
560	I	97.6	Very high	87.7	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	36%	0.355	C	S	.	.	S	Bend	trans	-131.3	-1.2	-179.9	65.8	174.8	0	0	0	112.2	I128 L383 F410 D413 I414 I417 H531 F532 V535 V557	I128-I560 PolarHBondContact N-O 3.32Å; L383-I560 HydrophobicContact CD1-CD1 4.36Å; F410-I560 HydrophobicContact CD2-CG2 4Å; F410-I560 HydrophobicContact CE2-CG2 3.62Å; F410-I560 HydrophobicContact CZ-CG2 4.46Å; D413-I560 HydrophobicContact CB-CD1 4.19Å; D413-I560 HydrophobicContact CB-CG1 3.46Å; D413-I560 VanDerWaalsContact CB-CG1 3.46Å; D413-I560 PolarHBondContact OD2-N 2.88Å; I414-I560 HydrophobicContact CG1-CD1 3.78Å; I417-I560 HydrophobicContact CD1-CD1 3.9Å; I417-I560 HydrophobicContact CD1-CG1 4.14Å; H531-I560 PolarHBondContact NE2-O 3.22Å; H531-I560 VanDerWaalsContact NE2-O 3.11Å; F532-I560 HydrophobicContact CD1-CD1 4.4Å; F532-I560 HydrophobicContact CE1-CD1 3.82Å; V535-I560 HydrophobicContact CB-CG2 4.39Å; V535-I560 HydrophobicContact CG1-CG2 3.78Å; V535-I560 HydrophobicContact CG2-CB 4.32Å; V535-I560 HydrophobicContact CG2-CG2 3.66Å; V557-I560 HydrophobicContact CG1-CG2 4.09Å
561	C	97.3	Very high	89.3	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-124.6	154.5	170.8	-64.4	0	0	0	0	111.7	L126 I128 D413 I417 T563 I566	L126-C561 HydrophobicContact CD1-CB 3.81Å; L126-C561 HydrophobicContact CG-CB 4.12Å; L126-C561 CarbonylContact O-C 3.31Å; L126-C561 VanDerWaalsContact O-CA 3.26Å; L126-C561 WeakPolarHBondContact O-CA 3.44Å; I128-C561 WeakPolarHBondContact CD1-O 2.99Å; I128-C561 VanDerWaalsContact CG1-C 3.45Å; D413-C561 HydrophobicContact CB-CB 4.17Å; D413-C561 PolarHBondContact OD2-N 2.66Å; I417-C561 WeakPolarHBondContact CD1-SG 3.49Å; C561-T563 PolarHBondContact O-N 3.11Å; C561-I566 HydrophobicContact CB-CD1 3.9Å; C561-I566 HydrophobicContact CB-CG1 4.38Å
562	H	96.2	Very high	91.1	Very high	52 Å²	52	62.4 Å²	62.4	24%	0.241	30%	0.302	C	S	.	.			trans	-66.6	116.4	166.9	-72.8	-66.1	0	0	0	109.6	S125 L126 I128 E134 E564 M565	S125-H562 PolarHBondContact O-CD2 3.31Å; S125-H562 VanDerWaalsContact O-CD2 3.31Å; L126-H562 PolarHBondContact O-N 3.02Å; I128-H562 HydrophobicContact CD1-CB 4.46Å; I128-H562 HydrophobicContact CG1-CB 4.45Å; E134-H562 IonicContact OE1-ND1 2.75Å; E134-H562 PolarHBondContact OE1-ND1 3.15Å; E134-H562 IonicContact OE2-CE1 3.25Å; E134-H562 PolarHBondContact OE2-CE1 3.21Å; E134-H562 IonicContact OE2-ND1 3.34Å; E134-H562 PolarHBondContact OE2-ND1 3.25Å; H562-E564 PolarHBondContact O-N 3.02Å; H562-M565 HydrophobicContact CB-CB 4.39Å; H562-M565 HydrophobicContact CB-CG 3.88Å; H562-M565 WeakPolarHBondContact O-CB 3.17Å; H562-M565 PolarHBondContact O-N 3.2Å
563	T	92.7	Very high	92.8	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-51.5	-44.3	-179.5	-64	0	0	0	0	111.8	E409 R559 C561 M565 I566 E567	E409-T563 PolarHBondContact OE1-OG1 2.92Å; R559-T563 PolarHBondContact NE-OG1 3.28Å; R559-T563 PolarHBondContact NH1-OG1 3.08Å; R559-T563 PolarHBondContact NH2-OG1 3.25Å; C561-T563 PolarHBondContact O-N 3.11Å; T563-M565 PolarHBondContact O-N 2.9Å; T563-M565 VanDerWaalsContact O-N 3.14Å; T563-I566 PolarHBondContact O-N 3.18Å; T563-I566 VanDerWaalsContact O-N 3.08Å; T563-E567 HydrophobicContact CG2-CG 4.17Å; T563-E567 WeakPolarHBondContact CG2-OE1 3.11Å; T563-E567 PolarHBondContact O-N 3.47Å
564	E	92.8	Very high	94.2	Very high	121 Å²	121	59 Å²	59	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-59.4	-28.2	-178.9	-61.3	-175.6	-170.6	0	0	113	H562 R568	H562-E564 PolarHBondContact O-N 3.02Å; E564-R568 WeakPolarHBondContact O-CD 3.41Å; E564-R568 WeakPolarHBondContact O-CG 3.29Å; E564-R568 PolarHBondContact O-N 3.48Å; E564-R568 IonicContact OE2-NH2 2.63Å; E564-R568 PolarHBondContact OE2-NH2 2.81Å
565	M	91.9	Very high	94.8	Very high	54 Å²	54	53.5 Å²	53.5	27%	0.266	25%	0.249	S	C	.	.	H	α-helix	trans	-78.5	-29.9	-179.3	-64	-65.7	-72.8	0	0	111.8	L126 H562 T563	L126-M565 HydrophobicContact CD1-CB 3.53Å; L126-M565 HydrophobicContact CD1-CG 4.41Å; H562-M565 HydrophobicContact CB-CB 4.39Å; H562-M565 HydrophobicContact CB-CG 3.88Å; H562-M565 WeakPolarHBondContact O-CB 3.17Å; H562-M565 PolarHBondContact O-N 3.2Å; T563-M565 PolarHBondContact O-N 2.9Å; T563-M565 VanDerWaalsContact O-N 3.14Å
566	I	92.9	Very high	95.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	23%	0.229	C	C	.	.	H	α-helix	trans	-75.3	-45.3	173.5	-58.9	-176.3	0	0	0	109.8	L126 D413 Y416 C561 T563 R568 D569 F572 M573	L126-I566 HydrophobicContact CD1-CG1 4.32Å; D413-I566 WeakPolarHBondContact OD1-CD1 3.39Å; Y416-I566 HydrophobicContact CD1-CD1 4.12Å; Y416-I566 HydrophobicContact CD1-CG1 3.68Å; Y416-I566 HydrophobicContact CE1-CG1 3.88Å; Y416-I566 HydrophobicContact CG-CG1 4.39Å; C561-I566 HydrophobicContact CB-CD1 3.9Å; C561-I566 HydrophobicContact CB-CG1 4.38Å; T563-I566 PolarHBondContact O-N 3.18Å; T563-I566 VanDerWaalsContact O-N 3.08Å; I566-R568 PolarHBondContact O-N 3.45Å; I566-R568 VanDerWaalsContact O-N 3.16Å; I566-D569 PolarHBondContact O-N 2.85Å; I566-F572 HydrophobicContact CG2-CD1 3.85Å; I566-F572 HydrophobicContact CG2-CE1 3.94Å; I566-M573 HydrophobicContact CG2-SD 3.93Å
567	E	94.1	Very high	95.3	Very high	87 Å²	87	52 Å²	52	41%	0.407	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-20.4	-179.8	-70.7	175.4	178.1	0	0	113.2	K148 T563	K148-E567 IonicContact NZ-OE1 2.64Å; K148-E567 PolarHBondContact NZ-OE1 3.49Å; T563-E567 HydrophobicContact CG2-CG 4.17Å; T563-E567 WeakPolarHBondContact CG2-OE1 3.11Å; T563-E567 PolarHBondContact O-N 3.47Å
568	R	92.6	Very high	95.3	Very high	167 Å²	167	53.3 Å²	53.3	63%	0.63	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.2	173.3	-76	169.8	-164.6	-177.8	10.1	113.9	E564 I566 D570	E564-R568 WeakPolarHBondContact O-CD 3.41Å; E564-R568 WeakPolarHBondContact O-CG 3.29Å; E564-R568 PolarHBondContact O-N 3.48Å; E564-R568 IonicContact OE2-NH2 2.63Å; E564-R568 PolarHBondContact OE2-NH2 2.81Å; I566-R568 PolarHBondContact O-N 3.45Å; I566-R568 VanDerWaalsContact O-N 3.16Å; R568-D570 PolarHBondContact O-N 3.01Å
569	D	92.7	Very high	95.4	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	24%	0.242	C	C	.	.			trans	-90.4	84	174.6	-171.2	-23.2	0	0	0	109.8	W109 Y416 I566 K571 F572 M573	W109-D569 WeakPolarHBondContact CZ2-OD2 3.49Å; Y416-D569 HydrophobicContact CE2-CB 4.31Å; Y416-D569 WeakPolarHBondContact OH-CB 3.4Å; Y416-D569 PolarHBondContact OH-OD2 2.74Å; I566-D569 PolarHBondContact O-N 2.85Å; D569-K571 PolarHBondContact O-N 2.75Å; D569-K571 VanDerWaalsContact O-N 3.14Å; D569-K571 PolarHBondContact OD1-N 3.46Å; D569-F572 HydrophobicContact CB-CB 3.98Å; D569-F572 VanDerWaalsContact CG-CB 3.49Å; D569-F572 PolarHBondContact O-N 2.99Å; D569-F572 VanDerWaalsContact O-N 3.17Å; D569-F572 PolarHBondContact OD1-N 2.99Å; D569-M573 WeakPolarHBondContact O-CG 3.38Å; D569-M573 PolarHBondContact O-N 3.33Å
570	D	94.4	Very high	95.5	Very high	109 Å²	109	48.9 Å²	48.9	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-55.3	-32.9	-179.1	-70.3	-31.1	0	0	0	112.7	R568 Q574	R568-D570 PolarHBondContact O-N 3.01Å; D570-Q574 WeakPolarHBondContact O-CB 3.29Å; D570-Q574 WeakPolarHBondContact O-CG 3.47Å; D570-Q574 PolarHBondContact O-N 2.66Å
571	K	94.9	Very high	95.5	Very high	106 Å²	106	51.8 Å²	51.8	46%	0.461	25%	0.247	S	C	.	.	H	α-helix	trans	-72.7	-43.9	-178.7	-69.5	-178	178.8	177.9	0	110.8	E112 D569 F575	E112-K571 IonicContact OE1-NZ 2.71Å; E112-K571 PolarHBondContact OE1-NZ 3.37Å; E112-K571 IonicContact OE2-NZ 3.2Å; E112-K571 PolarHBondContact OE2-NZ 3.27Å; D569-K571 PolarHBondContact O-N 2.75Å; D569-K571 VanDerWaalsContact O-N 3.14Å; D569-K571 PolarHBondContact OD1-N 3.46Å; K571-F575 WeakPolarHBondContact O-CB 3.05Å; K571-F575 PolarHBondContact O-N 3.44Å
572	F	95.6	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-41.9	174	-175.7	-103.7	0	0	0	111.6	W109 I412 I415 Y416 I566 D569 Q574 F575 I576	W109-F572 AromaticContact CD2-CD2 3.81Å; W109-F572 HydrophobicContact CD2-CD2 3.81Å; W109-F572 AromaticContact CE2-CD2 3.7Å; W109-F572 HydrophobicContact CE3-CD2 4.36Å; W109-F572 HydrophobicContact CG-CD2 4.05Å; W109-F572 HydrophobicContact CZ2-CB 4.1Å; W109-F572 HydrophobicContact CZ2-CD2 4.12Å; W109-F572 HydrophobicContact CZ2-CG 4.48Å; W109-F572 AromaticContact NE1-CD2 3.86Å; I412-F572 HydrophobicContact CG2-CE1 3.67Å; I412-F572 HydrophobicContact CG2-CZ 4.08Å; I415-F572 HydrophobicContact CG2-CE2 4.24Å; I415-F572 HydrophobicContact CG2-CZ 4.23Å; Y416-F572 HydrophobicContact CD2-CB 4.21Å; Y416-F572 AromaticContact CD2-CD1 3.45Å; Y416-F572 HydrophobicContact CD2-CD1 3.45Å; Y416-F572 VanDerWaalsContact CD2-CD1 3.45Å; Y416-F572 AromaticContact CD2-CD2 3.59Å; Y416-F572 HydrophobicContact CD2-CD2 3.59Å; Y416-F572 AromaticContact CD2-CE1 3.55Å; Y416-F572 HydrophobicContact CD2-CE1 3.55Å; Y416-F572 AromaticContact CD2-CE2 3.7Å; Y416-F572 HydrophobicContact CD2-CE2 3.7Å; Y416-F572 AromaticContact CD2-CG 3.45Å; Y416-F572 HydrophobicContact CD2-CG 3.45Å; Y416-F572 VanDerWaalsContact CD2-CG 3.45Å; Y416-F572 AromaticContact CD2-CZ 3.68Å; Y416-F572 HydrophobicContact CD2-CZ 3.68Å; Y416-F572 HydrophobicContact CE2-CB 3.9Å; Y416-F572 AromaticContact CE2-CD1 3.85Å; Y416-F572 HydrophobicContact CE2-CD1 3.85Å; Y416-F572 HydrophobicContact CE2-CD2 4.1Å; Y416-F572 HydrophobicContact CE2-CE1 4.39Å; Y416-F572 AromaticContact CE2-CG 3.66Å; Y416-F572 HydrophobicContact CE2-CG 3.66Å; Y416-F572 HydrophobicContact CG-CD1 4.17Å; Y416-F572 AromaticContact CG-CE1 3.89Å; Y416-F572 HydrophobicContact CG-CE1 3.89Å; Y416-F572 HydrophobicContact CG-CE2 4.45Å; Y416-F572 HydrophobicContact CG-CZ 4.04Å; I566-F572 HydrophobicContact CG2-CD1 3.85Å; I566-F572 HydrophobicContact CG2-CE1 3.94Å; D569-F572 HydrophobicContact CB-CB 3.98Å; D569-F572 VanDerWaalsContact CG-CB 3.49Å; D569-F572 PolarHBondContact O-N 2.99Å; D569-F572 VanDerWaalsContact O-N 3.17Å; D569-F572 PolarHBondContact OD1-N 2.99Å; F572-Q574 PolarHBondContact O-N 3.44Å; F572-F575 AromaticContact CD2-CD1 3.94Å; F572-F575 HydrophobicContact CD2-CD1 3.94Å; F572-F575 HydrophobicContact CD2-CE1 4.47Å; F572-F575 AromaticContact CE2-CD1 3.97Å; F572-F575 HydrophobicContact CE2-CD1 3.97Å; F572-F575 HydrophobicContact CE2-CE1 4.1Å; F572-F575 WeakPolarHBondContact O-CB 3.42Å; F572-F575 PolarHBondContact O-N 2.79Å; F572-I576 HydrophobicContact CD1-CG1 4.19Å; F572-I576 HydrophobicContact CD2-CG1 4.37Å; F572-I576 HydrophobicContact CE1-CG1 3.64Å; F572-I576 HydrophobicContact CE2-CD1 4.17Å; F572-I576 HydrophobicContact CE2-CG1 3.84Å; F572-I576 HydrophobicContact CZ-CD1 3.91Å; F572-I576 HydrophobicContact CZ-CG1 3.44Å; F572-I576 VanDerWaalsContact CZ-CG1 3.44Å; F572-I576 PolarHBondContact O-N 3.29Å
573	M	96.3	Very high	95.5	Very high	20 Å²	20	52.3 Å²	52.3	10%	0.099	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-46.4	176.5	-72.3	-60	-67.1	0	0	111.9	F149 I566 D569 F575 I576 Q577	F149-M573 HydrophobicContact CD1-CE 4.06Å; F149-M573 HydrophobicContact CD1-SD 4.23Å; F149-M573 HydrophobicContact CE1-CE 3.96Å; F149-M573 HydrophobicContact CE1-SD 3.8Å; I566-M573 HydrophobicContact CG2-SD 3.93Å; D569-M573 WeakPolarHBondContact O-CG 3.38Å; D569-M573 PolarHBondContact O-N 3.33Å; M573-F575 VanDerWaalsContact C-N 3.34Å; M573-F575 PolarHBondContact O-N 2.93Å; M573-I576 PolarHBondContact O-N 3.37Å; M573-Q577 VanDerWaalsContact O-CB 3.28Å; M573-Q577 WeakPolarHBondContact O-CB 3.07Å; M573-Q577 WeakPolarHBondContact O-CG 3.5Å; M573-Q577 PolarHBondContact O-N 3.46Å
574	Q	96.7	Very high	95.7	Very high	137 Å²	137	51.7 Å²	51.7	64%	0.64	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-41.9	175	-75.1	171.3	21	0	0	112.1	D570 F572 G578	D570-Q574 WeakPolarHBondContact O-CB 3.29Å; D570-Q574 WeakPolarHBondContact O-CG 3.47Å; D570-Q574 PolarHBondContact O-N 2.66Å; F572-Q574 PolarHBondContact O-N 3.44Å; Q574-G578 PolarHBondContact O-N 3.37Å
575	F	97.3	Very high	95.8	Very high	21 Å²	21	49.4 Å²	49.4	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-52.6	176.2	159.7	-109.4	0	0	0	111.8	W107 S108 W109 I425 I427 K571 F572 M573 M579	W107-F575 HydrophobicContact CB-CD2 4.05Å; W107-F575 HydrophobicContact CB-CE2 3.53Å; S108-F575 VanDerWaalsContact O-CD2 3.31Å; S108-F575 WeakPolarHBondContact O-CD2 2.99Å; W109-F575 HydrophobicContact CB-CB 4.36Å; W109-F575 HydrophobicContact CB-CD1 3.63Å; W109-F575 HydrophobicContact CB-CD2 3.96Å; W109-F575 HydrophobicContact CB-CE1 3.8Å; W109-F575 HydrophobicContact CB-CE2 4.1Å; W109-F575 HydrophobicContact CB-CG 3.72Å; W109-F575 HydrophobicContact CB-CZ 4.03Å; W109-F575 HydrophobicContact CG-CD1 4.05Å; W109-F575 HydrophobicContact CG-CG 4.27Å; I425-F575 HydrophobicContact CD1-CE1 4.29Å; I427-F575 HydrophobicContact CG1-CZ 4.05Å; K571-F575 WeakPolarHBondContact O-CB 3.05Å; K571-F575 PolarHBondContact O-N 3.44Å; F572-F575 AromaticContact CD2-CD1 3.94Å; F572-F575 HydrophobicContact CD2-CD1 3.94Å; F572-F575 HydrophobicContact CD2-CE1 4.47Å; F572-F575 AromaticContact CE2-CD1 3.97Å; F572-F575 HydrophobicContact CE2-CD1 3.97Å; F572-F575 HydrophobicContact CE2-CE1 4.1Å; F572-F575 WeakPolarHBondContact O-CB 3.42Å; F572-F575 PolarHBondContact O-N 2.79Å; M573-F575 VanDerWaalsContact C-N 3.34Å; M573-F575 PolarHBondContact O-N 2.93Å; F575-M579 WeakPolarHBondContact O-CB 3.48Å; F575-M579 PolarHBondContact O-N 2.81Å
576	I	97.7	Very high	96	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.3	-46.6	-177.6	-72.6	-57.6	0	0	0	111.8	F149 I412 I415 F572 M573 M579 N580	F149-I576 HydrophobicContact CB-CG2 3.78Å; F149-I576 HydrophobicContact CD1-CG2 3.85Å; F149-I576 HydrophobicContact CG-CG2 4.03Å; I412-I576 HydrophobicContact CD1-CD1 3.9Å; I412-I576 HydrophobicContact CD1-CG1 4.21Å; I412-I576 HydrophobicContact CD1-CG2 3.54Å; I412-I576 HydrophobicContact CG1-CG2 4.17Å; I412-I576 HydrophobicContact CG2-CG1 4.48Å; I415-I576 HydrophobicContact CG2-CD1 4.33Å; F572-I576 HydrophobicContact CD1-CG1 4.19Å; F572-I576 HydrophobicContact CD2-CG1 4.37Å; F572-I576 HydrophobicContact CE1-CG1 3.64Å; F572-I576 HydrophobicContact CE2-CD1 4.17Å; F572-I576 HydrophobicContact CE2-CG1 3.84Å; F572-I576 HydrophobicContact CZ-CD1 3.91Å; F572-I576 HydrophobicContact CZ-CG1 3.44Å; F572-I576 VanDerWaalsContact CZ-CG1 3.44Å; F572-I576 PolarHBondContact O-N 3.29Å; M573-I576 PolarHBondContact O-N 3.37Å; I576-M579 HydrophobicContact CD1-CE 4.14Å; I576-M579 PolarHBondContact O-N 3.41Å; I576-N580 VanDerWaalsContact O-CB 3.32Å; I576-N580 WeakPolarHBondContact O-CB 3.37Å; I576-N580 PolarHBondContact O-N 2.74Å
577	Q	97.6	Very high	96.1	Very high	73 Å²	73	50.1 Å²	50.1	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-48.5	-179.6	-72.5	177.5	-16.7	0	0	111	K148 M573 M579 N580 E581	K148-Q577 PolarHBondContact O-NE2 3.35Å; K148-Q577 VanDerWaalsContact O-NE2 3.08Å; M573-Q577 VanDerWaalsContact O-CB 3.28Å; M573-Q577 WeakPolarHBondContact O-CB 3.07Å; M573-Q577 WeakPolarHBondContact O-CG 3.5Å; M573-Q577 PolarHBondContact O-N 3.46Å; Q577-M579 PolarHBondContact O-N 2.94Å; Q577-N580 PolarHBondContact O-N 3.33Å; Q577-E581 WeakPolarHBondContact O-CB 3.48Å; Q577-E581 WeakPolarHBondContact O-CG 3.34Å; Q577-E581 PolarHBondContact O-N 2.76Å
578	G	97.5	Very high	96.3	Very high	27 Å²	27	46 Å²	46	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-58.8	-46.5	177.6	0	0	0	0	0	112.2	Q574 D582	Q574-G578 PolarHBondContact O-N 3.37Å; G578-D582 WeakPolarHBondContact O-CB 3.41Å; G578-D582 VanDerWaalsContact O-CG 3.24Å; G578-D582 PolarHBondContact O-N 3.22Å
579	M	97.9	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-50.1	175.9	176	-152.7	72.2	0	0	112.5	W107 T406 I427 F575 I576 Q577 D582 L583	W107-M579 HydrophobicContact CB-CB 4.31Å; W107-M579 HydrophobicContact CB-CG 4.27Å; W107-M579 HydrophobicContact CD2-CB 4Å; W107-M579 HydrophobicContact CD2-CG 3.61Å; W107-M579 HydrophobicContact CE3-CG 3.76Å; W107-M579 HydrophobicContact CG-CB 3.82Å; W107-M579 HydrophobicContact CG-CG 3.84Å; W107-M579 HydrophobicContact CZ3-CG 4.35Å; T406-M579 WeakPolarHBondContact OG1-CE 3.37Å; I427-M579 HydrophobicContact CB-CG 4.39Å; I427-M579 HydrophobicContact CB-SD 3.39Å; I427-M579 WeakPolarHBondContact CB-SD 3.42Å; I427-M579 HydrophobicContact CG1-SD 3.47Å; I427-M579 WeakPolarHBondContact CG1-SD 3.26Å; I427-M579 HydrophobicContact CG2-CG 4.27Å; I427-M579 HydrophobicContact CG2-SD 3.4Å; I427-M579 WeakPolarHBondContact CG2-SD 3.2Å; F575-M579 WeakPolarHBondContact O-CB 3.48Å; F575-M579 PolarHBondContact O-N 2.81Å; I576-M579 HydrophobicContact CD1-CE 4.14Å; I576-M579 PolarHBondContact O-N 3.41Å; Q577-M579 PolarHBondContact O-N 2.94Å; M579-D582 PolarHBondContact O-N 3.31Å; M579-L583 HydrophobicContact CG-CD1 3.79Å; M579-L583 WeakPolarHBondContact O-CB 3.12Å; M579-L583 WeakPolarHBondContact O-CG 3.49Å; M579-L583 PolarHBondContact O-N 3.41Å; M579-L583 HydrophobicContact SD-CD1 4.44Å
580	N	98.1	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-44.2	-178.4	-88.4	-22.6	0	0	0	111.9	F149 C150 T406 F407 I576 Q577 L583 A584	F149-N580 VanDerWaalsContact O-CB 3.23Å; F149-N580 WeakPolarHBondContact O-CB 3.44Å; F149-N580 PolarHBondContact O-ND2 3.39Å; C150-N580 HydrophobicContact CB-CB 4.03Å; T406-N580 PolarHBondContact O-ND2 2.89Å; T406-N580 PolarHBondContact OG1-OD1 3.37Å; F407-N580 HydrophobicContact CE1-CB 4.16Å; I576-N580 VanDerWaalsContact O-CB 3.32Å; I576-N580 WeakPolarHBondContact O-CB 3.37Å; I576-N580 PolarHBondContact O-N 2.74Å; Q577-N580 PolarHBondContact O-N 3.33Å; N580-L583 PolarHBondContact O-N 3.31Å; N580-A584 VanDerWaalsContact O-CB 3.28Å; N580-A584 WeakPolarHBondContact O-CB 3.42Å; N580-A584 PolarHBondContact O-N 3Å
581	E	97.7	Very high	96.6	Very high	63 Å²	63	33.4 Å²	33.4	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-65.3	-42.6	178.6	-70.8	-167.2	165.7	0	0	112	L154 Q577 A584 K585	L154-E581 HydrophobicContact CD1-CB 3.81Å; L154-E581 HydrophobicContact CD1-CG 3.83Å; Q577-E581 WeakPolarHBondContact O-CB 3.48Å; Q577-E581 WeakPolarHBondContact O-CG 3.34Å; Q577-E581 PolarHBondContact O-N 2.76Å; E581-A584 PolarHBondContact O-N 2.87Å; E581-K585 VanDerWaalsContact O-CG 3.22Å; E581-K585 WeakPolarHBondContact O-CG 3.31Å; E581-K585 PolarHBondContact O-N 2.99Å; E581-K585 IonicContact OE2-NZ 2.86Å
582	D	96.8	Very high	96.7	Very high	56 Å²	56	28.8 Å²	28.8	30%	0.299	15%	0.148	S	C	.	.	H	α-helix	trans	-65.8	-44.3	177.9	-72.3	-11.6	0	0	0	111	W107 G578 M579 A584 K585 H586	W107-D582 HydrophobicContact CZ2-CB 3.85Å; G578-D582 WeakPolarHBondContact O-CB 3.41Å; G578-D582 VanDerWaalsContact O-CG 3.24Å; G578-D582 PolarHBondContact O-N 3.22Å; M579-D582 PolarHBondContact O-N 3.31Å; D582-A584 VanDerWaalsContact C-N 3.31Å; D582-A584 PolarHBondContact O-N 2.89Å; D582-K585 PolarHBondContact O-N 2.72Å; D582-K585 IonicContact OD1-NZ 3.19Å; D582-K585 PolarHBondContact OD1-NZ 3.41Å; D582-K585 VanDerWaalsContact OD1-NZ 3.13Å; D582-H586 PolarHBondContact O-N 2.86Å; D582-H586 PolarHBondContact O-ND1 2.63Å
583	L	96.6	Very high	96.7	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-60.7	-40.9	174.4	-75.9	168.3	0	0	0	111.9	W107 K429 M579 N580 Q587	W107-L583 HydrophobicContact CH2-CD1 4.01Å; W107-L583 HydrophobicContact CH2-CD2 3.42Å; W107-L583 VanDerWaalsContact CH2-CD2 3.42Å; W107-L583 HydrophobicContact CH2-CG 3.41Å; W107-L583 VanDerWaalsContact CH2-CG 3.41Å; W107-L583 HydrophobicContact CZ2-CD2 4.49Å; W107-L583 HydrophobicContact CZ2-CG 4.11Å; W107-L583 HydrophobicContact CZ3-CD1 3.88Å; W107-L583 HydrophobicContact CZ3-CD2 3.75Å; W107-L583 HydrophobicContact CZ3-CG 3.81Å; K429-L583 HydrophobicContact CB-CD2 3.93Å; K429-L583 HydrophobicContact CD-CD2 3.67Å; K429-L583 HydrophobicContact CG-CD2 4.44Å; M579-L583 HydrophobicContact CG-CD1 3.79Å; M579-L583 WeakPolarHBondContact O-CB 3.12Å; M579-L583 WeakPolarHBondContact O-CG 3.49Å; M579-L583 PolarHBondContact O-N 3.41Å; M579-L583 HydrophobicContact SD-CD1 4.44Å; N580-L583 PolarHBondContact O-N 3.31Å; L583-Q587 WeakPolarHBondContact O-CB 3.34Å; L583-Q587 PolarHBondContact O-N 3.31Å
584	A	96.8	Very high	96.7	Very high	2 Å²	2	28.5 Å²	28.5	2%	0.017	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-47	176.8	0	0	0	0	0	111.8	L154 V158 N580 E581 D582 Q587 C588	L154-A584 HydrophobicContact CB-CB 4.08Å; V158-A584 HydrophobicContact CG2-CB 3.69Å; V158-A584 WeakPolarHBondContact CG2-O 3.42Å; N580-A584 VanDerWaalsContact O-CB 3.28Å; N580-A584 WeakPolarHBondContact O-CB 3.42Å; N580-A584 PolarHBondContact O-N 3Å; E581-A584 PolarHBondContact O-N 2.87Å; D582-A584 VanDerWaalsContact C-N 3.31Å; D582-A584 PolarHBondContact O-N 2.89Å; A584-Q587 PolarHBondContact O-N 3.16Å; A584-C588 PolarHBondContact O-N 3.18Å; A584-C588 PolarHBondContact O-SG 2.73Å; A584-C588 VanDerWaalsContact O-SG 3.37Å
585	K	96.3	Very high	96.6	Very high	72 Å²	72	22 Å²	22	31%	0.313	12%	0.117	S	C	.	.	H	α-helix	trans	-57.7	-52	177	-68.4	162.6	-159.7	156.8	0	111.3	L88 L154 E581 D582 Q587 C588 V589	L88-K585 HydrophobicContact CD2-CB 4.08Å; L88-K585 HydrophobicContact CD2-CG 3.92Å; L154-K585 HydrophobicContact CD1-CG 4.27Å; L154-K585 HydrophobicContact CD2-CG 4.03Å; E581-K585 VanDerWaalsContact O-CG 3.22Å; E581-K585 WeakPolarHBondContact O-CG 3.31Å; E581-K585 PolarHBondContact O-N 2.99Å; E581-K585 IonicContact OE2-NZ 2.86Å; D582-K585 PolarHBondContact O-N 2.72Å; D582-K585 IonicContact OD1-NZ 3.19Å; D582-K585 PolarHBondContact OD1-NZ 3.41Å; D582-K585 VanDerWaalsContact OD1-NZ 3.13Å; K585-Q587 VanDerWaalsContact C-N 3.32Å; K585-Q587 PolarHBondContact O-N 2.97Å; K585-C588 WeakPolarHBondContact O-CB 3.41Å; K585-C588 PolarHBondContact O-N 2.83Å; K585-V589 PolarHBondContact O-N 2.93Å; K585-V589 VanDerWaalsContact O-N 3.17Å
586	H	94.8	Very high	96.4	Very high	67 Å²	67	22.3 Å²	22.3	31%	0.31	12%	0.123	S	C	.	.	H	α-helix	trans	-63.7	-38	179.6	-68.1	101.2	0	0	0	112.1	Y105 D582 V589 A590	Y105-H586 AromaticContact CE1-CD2 3.7Å; Y105-H586 AromaticContact CE1-CE1 3.45Å; Y105-H586 VanDerWaalsContact CE1-CE1 3.45Å; Y105-H586 WeakPolarHBondContact CE1-CE1 3.5Å; Y105-H586 AromaticContact CE1-CG 3.97Å; Y105-H586 AromaticContact CE1-ND1 3.82Å; Y105-H586 AromaticContact CE1-NE2 3.38Å; Y105-H586 WeakPolarHBondContact CE1-NE2 3.46Å; Y105-H586 AromaticContact CZ-CD2 3.52Å; Y105-H586 AromaticContact CZ-CG 3.88Å; Y105-H586 AromaticContact CZ-NE2 3.69Å; Y105-H586 PolarHBondContact OH-CD2 3.03Å; Y105-H586 PolarHBondContact OH-NE2 3.41Å; D582-H586 PolarHBondContact O-N 2.86Å; D582-H586 PolarHBondContact O-ND1 2.63Å; H586-V589 PolarHBondContact O-N 2.71Å; H586-A590 WeakPolarHBondContact O-CB 3.36Å; H586-A590 PolarHBondContact O-N 2.96Å
587	Q	96.2	Very high	96.3	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.028	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-38.8	177.4	-168.9	176.4	18.9	0	0	111.8	A436 N437 S438 L583 A584 K585 A590 L591	A436-Q587 PolarHBondContact O-NE2 2.82Å; N437-Q587 PolarHBondContact O-NE2 3.46Å; S438-Q587 PolarHBondContact OG-NE2 3.31Å; L583-Q587 WeakPolarHBondContact O-CB 3.34Å; L583-Q587 PolarHBondContact O-N 3.31Å; A584-Q587 PolarHBondContact O-N 3.16Å; K585-Q587 VanDerWaalsContact C-N 3.32Å; K585-Q587 PolarHBondContact O-N 2.97Å; Q587-A590 PolarHBondContact O-N 3.12Å; Q587-L591 HydrophobicContact CG-CD1 3.82Å; Q587-L591 HydrophobicContact CG-CG 4.24Å; Q587-L591 WeakPolarHBondContact O-CB 3.36Å; Q587-L591 VanDerWaalsContact O-CG 3.23Å; Q587-L591 WeakPolarHBondContact O-CG 3.41Å; Q587-L591 PolarHBondContact O-N 3.42Å
588	C	96.9	Very high	96.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-50.3	173.1	-75.8	0	0	0	0	111.6	L88 V158 Y161 A584 K585 A590 L591 S592	L88-C588 HydrophobicContact CB-CB 4.04Å; L88-C588 HydrophobicContact CD2-CB 4.3Å; L88-C588 CarbonylContact O-C 3.52Å; V158-C588 WeakPolarHBondContact CG2-SG 3.14Å; Y161-C588 HydrophobicContact CD2-CB 4.02Å; Y161-C588 HydrophobicContact CE2-CB 4.07Å; A584-C588 PolarHBondContact O-N 3.18Å; A584-C588 PolarHBondContact O-SG 2.73Å; A584-C588 VanDerWaalsContact O-SG 3.37Å; K585-C588 WeakPolarHBondContact O-CB 3.41Å; K585-C588 PolarHBondContact O-N 2.83Å; C588-A590 VanDerWaalsContact C-N 3.35Å; C588-A590 PolarHBondContact O-N 2.9Å; C588-L591 PolarHBondContact O-N 3.38Å; C588-S592 VanDerWaalsContact O-CB 3.31Å; C588-S592 WeakPolarHBondContact O-CB 3.5Å; C588-S592 PolarHBondContact O-N 3.19Å
589	V	95.9	Very high	95.8	Very high	28 Å²	28	22 Å²	22	17%	0.17	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-46.5	177.4	176.8	0	0	0	0	110.6	N87 L88 W90 K585 H586 L591 S592 K593	N87-V589 WeakPolarHBondContact O-CG2 3.12Å; L88-V589 PolarHBondContact O-N 3.2Å; W90-V589 HydrophobicContact CB-CG1 4.03Å; W90-V589 WeakPolarHBondContact CB-O 3.32Å; K585-V589 PolarHBondContact O-N 2.93Å; K585-V589 VanDerWaalsContact O-N 3.17Å; H586-V589 PolarHBondContact O-N 2.71Å; V589-L591 PolarHBondContact O-N 3.32Å; V589-S592 WeakPolarHBondContact O-CB 3.48Å; V589-S592 PolarHBondContact O-N 2.79Å; V589-K593 WeakPolarHBondContact O-CB 3.44Å; V589-K593 PolarHBondContact O-N 2.69Å
590	A	95.6	Very high	95.5	Very high	15 Å²	15	25.2 Å²	25.2	12%	0.124	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-39.2	178.7	0	0	0	0	0	113.6	P435 A436 H586 Q587 C588 L594	P435-A590 HydrophobicContact CB-CB 3.66Å; A436-A590 HydrophobicContact CB-CB 4.17Å; H586-A590 WeakPolarHBondContact O-CB 3.36Å; H586-A590 PolarHBondContact O-N 2.96Å; Q587-A590 PolarHBondContact O-N 3.12Å; C588-A590 VanDerWaalsContact C-N 3.35Å; C588-A590 PolarHBondContact O-N 2.9Å; A590-L594 WeakPolarHBondContact O-CB 3.41Å; A590-L594 PolarHBondContact O-N 3.27Å
591	L	96.2	Very high	95.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-41.6	175.1	-74.4	164.8	0	0	0	111.1	Y161 K162 L165 A436 Q587 C588 V589 L594 L595	Y161-L591 HydrophobicContact CD1-CB 4.48Å; Y161-L591 HydrophobicContact CG-CB 4.26Å; K162-L591 HydrophobicContact CG-CD1 3.92Å; L165-L591 HydrophobicContact CD1-CD2 3.56Å; L165-L591 HydrophobicContact CG-CD2 4.46Å; A436-L591 HydrophobicContact CB-CD2 3.9Å; A436-L591 HydrophobicContact CB-CG 4.15Å; Q587-L591 HydrophobicContact CG-CD1 3.82Å; Q587-L591 HydrophobicContact CG-CG 4.24Å; Q587-L591 WeakPolarHBondContact O-CB 3.36Å; Q587-L591 VanDerWaalsContact O-CG 3.23Å; Q587-L591 WeakPolarHBondContact O-CG 3.41Å; Q587-L591 PolarHBondContact O-N 3.42Å; C588-L591 PolarHBondContact O-N 3.38Å; V589-L591 PolarHBondContact O-N 3.32Å; L591-L594 WeakPolarHBondContact O-CB 3.37Å; L591-L594 PolarHBondContact O-N 3.37Å; L591-L595 WeakPolarHBondContact O-CG 3.2Å; L591-L595 PolarHBondContact O-N 3.49Å
592	S	96.1	Very high	95.1	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.063	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-45.6	173.7	177.3	0	0	0	0	111.4	W90 C588 V589 L594 L595 A596	W90-S592 PolarHBondContact N-OG 3.12Å; W90-S592 VanDerWaalsContact N-OG 3.08Å; C588-S592 VanDerWaalsContact O-CB 3.31Å; C588-S592 WeakPolarHBondContact O-CB 3.5Å; C588-S592 PolarHBondContact O-N 3.19Å; V589-S592 WeakPolarHBondContact O-CB 3.48Å; V589-S592 PolarHBondContact O-N 2.79Å; S592-L594 PolarHBondContact O-N 2.83Å; S592-L595 PolarHBondContact O-N 3.24Å; S592-A596 PolarHBondContact O-N 2.77Å
593	K	95.7	Very high	95	Very high	9 Å²	9	31.4 Å²	31.4	4%	0.039	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-48	173.2	-170.9	175.5	-170.8	176	0	111.2	W90 D95 C180 V589 L595 A596 F597 E605	W90-K593 HydrophobicContact CB-CB 3.78Å; W90-K593 HydrophobicContact CD2-CB 3.86Å; W90-K593 HydrophobicContact CD2-CD 4.29Å; W90-K593 HydrophobicContact CD2-CG 3.68Å; W90-K593 HydrophobicContact CE3-CB 4.49Å; W90-K593 HydrophobicContact CE3-CG 4.31Å; W90-K593 HydrophobicContact CG-CB 3.49Å; W90-K593 VanDerWaalsContact CG-CB 3.49Å; W90-K593 HydrophobicContact CG-CD 4.21Å; W90-K593 HydrophobicContact CG-CG 3.76Å; W90-K593 HydrophobicContact CZ2-CD 4.48Å; W90-K593 HydrophobicContact CZ2-CG 4.28Å; D95-K593 IonicContact OD1-NZ 2.77Å; D95-K593 IonicContact OD2-NZ 3.44Å; D95-K593 PolarHBondContact OD2-NZ 3Å; C180-K593 HydrophobicContact CB-CG 4.26Å; C180-K593 WeakPolarHBondContact O-CE 3.4Å; C180-K593 PolarHBondContact O-NZ 3.14Å; V589-K593 WeakPolarHBondContact O-CB 3.44Å; V589-K593 PolarHBondContact O-N 2.69Å; K593-L595 VanDerWaalsContact C-N 3.33Å; K593-L595 PolarHBondContact O-N 3.41Å; K593-A596 PolarHBondContact O-N 3.5Å; K593-F597 HydrophobicContact CG-CD2 4.08Å; K593-F597 HydrophobicContact CG-CE2 3.91Å; K593-F597 VanDerWaalsContact O-CD2 3.27Å; K593-F597 WeakPolarHBondContact O-CD2 3.24Å; K593-F597 PolarHBondContact O-N 3.38Å; K593-E605 IonicContact NZ-OE2 2.86Å; K593-E605 PolarHBondContact NZ-OE2 3.14Å
594	L	95.2	Very high	94.8	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-42.6	178.9	179.3	61.5	0	0	0	112.1	L165 V173 H177 A436 A590 L591 S592 S598	L165-L594 HydrophobicContact CD1-CD2 4.27Å; L165-L594 HydrophobicContact CD2-CD2 3.91Å; L165-L594 HydrophobicContact CD2-CG 4.29Å; V173-L594 HydrophobicContact CG1-CD2 4.3Å; H177-L594 HydrophobicContact CB-CD1 4.02Å; H177-L594 VanDerWaalsContact N-CD1 3.33Å; A436-L594 HydrophobicContact CB-CD2 4.22Å; A590-L594 WeakPolarHBondContact O-CB 3.41Å; A590-L594 PolarHBondContact O-N 3.27Å; L591-L594 WeakPolarHBondContact O-CB 3.37Å; L591-L594 PolarHBondContact O-N 3.37Å; S592-L594 PolarHBondContact O-N 2.83Å; L594-S598 WeakPolarHBondContact O-CB 3.49Å; L594-S598 PolarHBondContact O-N 2.93Å
595	L	94.9	Very high	94.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-42.6	176.7	-69.4	171.2	0	0	0	111.6	L80 Y161 Q164 L165 L168 L591 S592 K593 F597 S598 Q599	L80-L595 HydrophobicContact CD2-CB 3.46Å; L80-L595 VanDerWaalsContact CD2-CB 3.46Å; L80-L595 HydrophobicContact CG-CB 4.29Å; Y161-L595 HydrophobicContact CD1-CD1 3.74Å; Y161-L595 HydrophobicContact CE1-CD1 4.27Å; Q164-L595 HydrophobicContact CB-CD1 3.86Å; Q164-L595 HydrophobicContact CB-CD2 3.98Å; Q164-L595 HydrophobicContact CG-CD1 4.32Å; L165-L595 HydrophobicContact CD2-CD2 3.64Å; L165-L595 HydrophobicContact CD2-CG 4.23Å; L165-L595 HydrophobicContact CG-CD2 4.39Å; L168-L595 HydrophobicContact CD1-CD2 3.8Å; L591-L595 WeakPolarHBondContact O-CG 3.2Å; L591-L595 PolarHBondContact O-N 3.49Å; S592-L595 PolarHBondContact O-N 3.24Å; K593-L595 VanDerWaalsContact C-N 3.33Å; K593-L595 PolarHBondContact O-N 3.41Å; L595-F597 PolarHBondContact O-N 3.31Å; L595-S598 WeakPolarHBondContact O-CB 3.3Å; L595-S598 PolarHBondContact O-N 2.96Å; L595-S598 VanDerWaalsContact O-N 3.11Å; L595-S598 PolarHBondContact O-OG 3.31Å; L595-Q599 PolarHBondContact O-N 2.86Å
596	A	94	Very high	94.5	Very high	27 Å²	27	38.9 Å²	38.9	22%	0.223	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-46.2	175.8	0	0	0	0	0	111.9	W90 S592 K593 S598 Q599 N600	W90-A596 HydrophobicContact CE3-CB 4.04Å; W90-A596 HydrophobicContact CZ3-CB 4.11Å; S592-A596 PolarHBondContact O-N 2.77Å; K593-A596 PolarHBondContact O-N 3.5Å; A596-S598 VanDerWaalsContact C-N 3.28Å; A596-S598 PolarHBondContact O-N 3.5Å; A596-Q599 PolarHBondContact O-N 3.3Å; A596-N600 PolarHBondContact O-N 3.02Å
597	F	95.4	Very high	94.5	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-32.6	175.6	-84.7	-121.3	0	0	0	112.1	W90 R179 C180 K593 L595 Q599 N600 L603	W90-F597 AromaticContact CH2-CE2 3.84Å; W90-F597 HydrophobicContact CH2-CE2 3.84Å; W90-F597 HydrophobicContact CZ2-CE2 4.1Å; W90-F597 HydrophobicContact CZ3-CE2 4.3Å; R179-F597 HydrophobicContact CB-CD1 3.89Å; R179-F597 HydrophobicContact CB-CE1 4.2Å; R179-F597 PolarHBondContact NH2-O 2.7Å; C180-F597 HydrophobicContact CB-CB 4.06Å; C180-F597 HydrophobicContact CB-CD1 3.4Å; C180-F597 HydrophobicContact CB-CD2 3.85Å; C180-F597 HydrophobicContact CB-CE1 3.65Å; C180-F597 HydrophobicContact CB-CE2 4.08Å; C180-F597 HydrophobicContact CB-CG 3.5Å; C180-F597 VanDerWaalsContact CB-CG 3.5Å; C180-F597 HydrophobicContact CB-CZ 3.98Å; K593-F597 HydrophobicContact CG-CD2 4.08Å; K593-F597 HydrophobicContact CG-CE2 3.91Å; K593-F597 VanDerWaalsContact O-CD2 3.27Å; K593-F597 WeakPolarHBondContact O-CD2 3.24Å; K593-F597 PolarHBondContact O-N 3.38Å; L595-F597 PolarHBondContact O-N 3.31Å; F597-Q599 PolarHBondContact O-N 3.07Å; F597-N600 CarbonylContact O-C 3.56Å; F597-L603 HydrophobicContact CD1-CB 3.79Å; F597-L603 HydrophobicContact CD2-CB 3.98Å; F597-L603 HydrophobicContact CD2-CD1 3.75Å; F597-L603 HydrophobicContact CE1-CB 3.67Å; F597-L603 WeakPolarHBondContact CE1-O 3.45Å; F597-L603 HydrophobicContact CE2-CB 3.86Å; F597-L603 HydrophobicContact CE2-CD1 3.92Å; F597-L603 HydrophobicContact CE2-CG 4.47Å; F597-L603 HydrophobicContact CG-CB 3.96Å; F597-L603 HydrophobicContact CG-CD1 4.3Å; F597-L603 HydrophobicContact CZ-CB 3.71Å
598	S	93.8	Very high	94.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-22.8	178	80.8	0	0	0	0	114.5	L168 N172 S176 L594 L595 A596 H601	L168-S598 VanDerWaalsContact CD1-OG 3.28Å; L168-S598 WeakPolarHBondContact CD1-OG 3.1Å; N172-S598 PolarHBondContact ND2-O 3.47Å; S176-S598 WeakPolarHBondContact OG-CA 3.17Å; L594-S598 WeakPolarHBondContact O-CB 3.49Å; L594-S598 PolarHBondContact O-N 2.93Å; L595-S598 WeakPolarHBondContact O-CB 3.3Å; L595-S598 PolarHBondContact O-N 2.96Å; L595-S598 VanDerWaalsContact O-N 3.11Å; L595-S598 PolarHBondContact O-OG 3.31Å; A596-S598 VanDerWaalsContact C-N 3.28Å; A596-S598 PolarHBondContact O-N 3.5Å; S598-H601 PolarHBondContact O-NE2 2.89Å
599	Q	90.9	Very high	94.5	Very high	85 Å²	85	42.6 Å²	42.6	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-92.3	-42.7	174.3	-69.1	-68.8	-9.9	0	0	111.4	L80 L595 A596 F597	L80-Q599 HydrophobicContact CD1-CG 3.43Å; L80-Q599 VanDerWaalsContact CD1-CG 3.43Å; L80-Q599 HydrophobicContact CD2-CG 4.4Å; L595-Q599 PolarHBondContact O-N 2.86Å; A596-Q599 PolarHBondContact O-N 3.3Å; F597-Q599 PolarHBondContact O-N 3.07Å
600	N	92.4	Very high	94.5	Very high	69 Å²	69	47.8 Å²	47.8	37%	0.369	26%	0.261	S	S	.	.			trans	-103.2	99.8	178.8	-169.6	-1.8	0	0	0	111.8	R179 A596 F597 S602 L603	R179-N600 PolarHBondContact NH1-O 3.28Å; A596-N600 PolarHBondContact O-N 3.02Å; F597-N600 CarbonylContact O-C 3.56Å; N600-S602 PolarHBondContact ND2-OG 2.64Å; N600-S602 PolarHBondContact O-N 3.48Å; N600-S602 PolarHBondContact OD1-N 3.05Å; N600-S602 PolarHBondContact OD1-OG 3.02Å; N600-L603 HydrophobicContact CB-CD1 3.9Å; N600-L603 HydrophobicContact CB-CG 3.97Å; N600-L603 PolarHBondContact O-N 3.29Å
601	H	92.3	Very high	94.6	Very high	126 Å²	126	47.5 Å²	47.5	58%	0.583	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.7	179.4	-63.9	174.2	0	0	0	114	R179 S598	R179-H601 PolarHBondContact NH1-O 3.06Å; S598-H601 PolarHBondContact O-NE2 2.89Å
602	S	93.7	Very high	94.6	Very high	93 Å²	93	49.4 Å²	49.4	65%	0.65	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.2	175.6	74.5	0	0	0	0	113.6	N600	N600-S602 PolarHBondContact ND2-OG 2.64Å; N600-S602 PolarHBondContact O-N 3.48Å; N600-S602 PolarHBondContact OD1-N 3.05Å; N600-S602 PolarHBondContact OD1-OG 3.02Å
603	L	94.9	Very high	94.7	Very high	29 Å²	29	54.4 Å²	54.4	15%	0.152	28%	0.282	C	S	.	.			trans	-69.2	136	178.1	-64.1	175.9	0	0	0	111.3	W90 R179 F597 N600	W90-L603 HydrophobicContact CZ3-CD1 4.42Å; R179-L603 PolarHBondContact NH1-O 3.44Å; F597-L603 HydrophobicContact CD1-CB 3.79Å; F597-L603 HydrophobicContact CD2-CB 3.98Å; F597-L603 HydrophobicContact CD2-CD1 3.75Å; F597-L603 HydrophobicContact CE1-CB 3.67Å; F597-L603 WeakPolarHBondContact CE1-O 3.45Å; F597-L603 HydrophobicContact CE2-CB 3.86Å; F597-L603 HydrophobicContact CE2-CD1 3.92Å; F597-L603 HydrophobicContact CE2-CG 4.47Å; F597-L603 HydrophobicContact CG-CB 3.96Å; F597-L603 HydrophobicContact CG-CD1 4.3Å; F597-L603 HydrophobicContact CZ-CB 3.71Å; N600-L603 HydrophobicContact CB-CD1 3.9Å; N600-L603 HydrophobicContact CB-CG 3.97Å; N600-L603 PolarHBondContact O-N 3.29Å
604	T	92.8	Very high	94.8	Very high	94 Å²	94	55.7 Å²	55.7	58%	0.577	29%	0.294	S	S	*	.			trans	-141.5	148.4	178	55.6	0	0	0	0	110.6
605	E	94.5	Very high	94.9	Very high	21 Å²	21	55.4 Å²	55.4	10%	0.098	29%	0.293	C	S	.	.			trans	-91.6	111.2	171	-176.4	55.7	-110.4	0	0	109.5	R179 P182 K593 R607 Q608	R179-E605 WeakPolarHBondContact O-CB 3.49Å; R179-E605 PolarHBondContact O-N 3.27Å; R179-E605 VanDerWaalsContact O-N 3.08Å; P182-E605 HydrophobicContact CB-CG 3.94Å; P182-E605 HydrophobicContact CG-CG 3.97Å; K593-E605 IonicContact NZ-OE2 2.86Å; K593-E605 PolarHBondContact NZ-OE2 3.14Å; E605-R607 IonicContact OE1-CZ 3Å; E605-R607 IonicContact OE1-NE 3.2Å; E605-R607 PolarHBondContact OE1-NE 3.06Å; E605-R607 IonicContact OE1-NH2 3.46Å; E605-R607 PolarHBondContact OE1-NH2 3.36Å; E605-R607 IonicContact OE2-NH2 2.65Å; E605-Q608 HydrophobicContact CB-CG 4.12Å; E605-Q608 HydrophobicContact CG-CG 4.06Å
606	T	93.4	Very high	95	Very high	123 Å²	123	55.4 Å²	55.4	76%	0.755	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.8	-169.8	52.8	0	0	0	0	113.4	Q608	T606-Q608 PolarHBondContact O-N 2.57Å
607	R	94.5	Very high	95.1	Very high	42 Å²	42	61.5 Å²	61.5	16%	0.158	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.7	-173.8	-63.7	172.1	-68.5	-176.7	-13.5	115.1	D96 E605 D609 E610 L611	D96-R607 PolarHBondContact O-NH1 3.44Å; D96-R607 IonicContact OD1-CZ 3.48Å; D96-R607 IonicContact OD1-NH1 3.9Å; D96-R607 PolarHBondContact OD1-NH1 3.41Å; D96-R607 IonicContact OD1-NH2 3.7Å; D96-R607 PolarHBondContact OD1-NH2 3.38Å; E605-R607 IonicContact OE1-CZ 3Å; E605-R607 IonicContact OE1-NE 3.2Å; E605-R607 PolarHBondContact OE1-NE 3.06Å; E605-R607 IonicContact OE1-NH2 3.46Å; E605-R607 PolarHBondContact OE1-NH2 3.36Å; E605-R607 IonicContact OE2-NH2 2.65Å; R607-D609 VanDerWaalsContact C-N 3.32Å; R607-D609 PolarHBondContact O-N 3.46Å; R607-E610 PolarHBondContact O-N 3.04Å; R607-L611 HydrophobicContact CB-CD1 3.94Å; R607-L611 HydrophobicContact CB-CG 4.32Å; R607-L611 WeakPolarHBondContact O-CG 3.35Å; R607-L611 PolarHBondContact O-N 3.45Å
608	Q	95.9	Very high	95.1	Very high	31 Å²	31	64.2 Å²	64.2	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-37.4	-171.2	-68.9	-174.5	-23.8	0	0	114	E178 N181 P182 L185 E605 T606 Y612	E178-Q608 PolarHBondContact O-NE2 3.45Å; N181-Q608 PolarHBondContact O-NE2 3.15Å; P182-Q608 WeakPolarHBondContact O-CA 3.36Å; L185-Q608 HydrophobicContact CD1-CB 3.61Å; L185-Q608 HydrophobicContact CG-CB 3.81Å; E605-Q608 HydrophobicContact CB-CG 4.12Å; E605-Q608 HydrophobicContact CG-CG 4.06Å; T606-Q608 PolarHBondContact O-N 2.57Å; Q608-Y612 WeakPolarHBondContact O-CB 3.33Å; Q608-Y612 PolarHBondContact O-N 3.06Å
609	D	96.4	Very high	95.2	Very high	77 Å²	77	64 Å²	64	41%	0.412	33%	0.327	S	S	.	.	H	α-helix	trans	-72.7	-41.2	-180	-172.7	79.6	0	0	0	112.1	L185 R607 Y612 R613	L185-D609 HydrophobicContact CD1-CB 4.48Å; R607-D609 VanDerWaalsContact C-N 3.32Å; R607-D609 PolarHBondContact O-N 3.46Å; D609-Y612 WeakPolarHBondContact O-CB 3.33Å; D609-Y612 PolarHBondContact O-N 2.81Å; D609-R613 WeakPolarHBondContact O-CG 3.32Å; D609-R613 PolarHBondContact O-N 2.79Å; D609-R613 VanDerWaalsContact O-N 3.08Å; D609-R613 IonicContact OD1-CZ 3.62Å; D609-R613 IonicContact OD1-NE 3.83Å; D609-R613 IonicContact OD1-NH2 3.88Å; D609-R613 PolarHBondContact OD1-NH2 3.2Å; D609-R613 VanDerWaalsContact OD1-NH2 3.08Å; D609-R613 IonicContact OD2-CZ 3.88Å; D609-R613 IonicContact OD2-NE 2.71Å; D609-R613 PolarHBondContact OD2-NE 2.87Å; D609-R613 IonicContact OD2-NH2 3.1Å; D609-R613 PolarHBondContact OD2-NH2 3.29Å
610	E	96.3	Very high	95.4	Very high	138 Å²	138	64.4 Å²	64.4	65%	0.645	33%	0.327	S	S	*	.	H	α-helix	trans	-61.4	-51.8	176.5	-179	-173.4	166.2	0	0	110.8	R607 Y612 R613 A614	R607-E610 PolarHBondContact O-N 3.04Å; E610-Y612 VanDerWaalsContact C-N 3.29Å; E610-Y612 PolarHBondContact O-N 3.31Å; E610-R613 PolarHBondContact O-N 3.29Å; E610-R613 VanDerWaalsContact O-N 3.15Å; E610-A614 WeakPolarHBondContact O-CB 3.46Å; E610-A614 PolarHBondContact O-N 3.1Å
611	L	96.9	Very high	95.5	Very high	8 Å²	8	61.4 Å²	61.4	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-37.2	178.4	-67.9	167.6	0	0	0	111.7	T99 P182 Y183 R607 R613 A614 C615	T99-L611 HydrophobicContact CG2-CD1 3.63Å; P182-L611 HydrophobicContact CB-CD1 3.45Å; P182-L611 VanDerWaalsContact CB-CD1 3.45Å; Y183-L611 HydrophobicContact CD1-CB 4.4Å; Y183-L611 HydrophobicContact CD1-CD1 4.47Å; Y183-L611 HydrophobicContact CE1-CD1 4.2Å; Y183-L611 HydrophobicContact CE1-CD2 4.2Å; R607-L611 HydrophobicContact CB-CD1 3.94Å; R607-L611 HydrophobicContact CB-CG 4.32Å; R607-L611 WeakPolarHBondContact O-CG 3.35Å; R607-L611 PolarHBondContact O-N 3.45Å; L611-R613 VanDerWaalsContact C-N 3.35Å; L611-R613 PolarHBondContact O-N 2.91Å; L611-A614 PolarHBondContact O-N 3Å; L611-C615 WeakPolarHBondContact O-CB 3.09Å; L611-C615 PolarHBondContact O-N 3.2Å; L611-C615 PolarHBondContact O-SG 2.82Å
612	Y	97.2	Very high	95.4	Very high	42 Å²	42	57.5 Å²	57.5	17%	0.165	30%	0.297	C	S	.	.	H	α-helix	trans	-56.1	-49.2	173.2	167.4	-108.7	0	0	0	111.5	L185 I186 Q608 D609 E610 L616 I623	L185-Y612 HydrophobicContact CB-CD2 4.36Å; L185-Y612 HydrophobicContact CB-CG 4.28Å; I186-Y612 HydrophobicContact CG1-CD2 4.26Å; Q608-Y612 WeakPolarHBondContact O-CB 3.33Å; Q608-Y612 PolarHBondContact O-N 3.06Å; D609-Y612 WeakPolarHBondContact O-CB 3.33Å; D609-Y612 PolarHBondContact O-N 2.81Å; E610-Y612 VanDerWaalsContact C-N 3.29Å; E610-Y612 PolarHBondContact O-N 3.31Å; Y612-L616 HydrophobicContact CD2-CD1 3.77Å; Y612-L616 HydrophobicContact CD2-CD2 4.4Å; Y612-L616 HydrophobicContact CE1-CD2 4.47Å; Y612-L616 HydrophobicContact CE2-CD1 3.65Å; Y612-L616 HydrophobicContact CE2-CD2 3.58Å; Y612-L616 HydrophobicContact CE2-CG 4.27Å; Y612-L616 VanDerWaalsContact O-CD1 3.26Å; Y612-L616 WeakPolarHBondContact O-CD1 3.26Å; Y612-L616 PolarHBondContact O-N 3.39Å; Y612-I623 HydrophobicContact CE1-CG2 4.21Å
613	R	97.4	Very high	95.3	Very high	114 Å²	114	57.5 Å²	57.5	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-48.9	179.5	-67.2	177.3	-166.5	-63.5	-13.8	111.7	D609 E610 L611 C615 L616 E617 I623	D609-R613 WeakPolarHBondContact O-CG 3.32Å; D609-R613 PolarHBondContact O-N 2.79Å; D609-R613 VanDerWaalsContact O-N 3.08Å; D609-R613 IonicContact OD1-CZ 3.62Å; D609-R613 IonicContact OD1-NE 3.83Å; D609-R613 IonicContact OD1-NH2 3.88Å; D609-R613 PolarHBondContact OD1-NH2 3.2Å; D609-R613 VanDerWaalsContact OD1-NH2 3.08Å; D609-R613 IonicContact OD2-CZ 3.88Å; D609-R613 IonicContact OD2-NE 2.71Å; D609-R613 PolarHBondContact OD2-NE 2.87Å; D609-R613 IonicContact OD2-NH2 3.1Å; D609-R613 PolarHBondContact OD2-NH2 3.29Å; E610-R613 PolarHBondContact O-N 3.29Å; E610-R613 VanDerWaalsContact O-N 3.15Å; L611-R613 VanDerWaalsContact C-N 3.35Å; L611-R613 PolarHBondContact O-N 2.91Å; R613-C615 PolarHBondContact O-N 3.14Å; R613-L616 PolarHBondContact O-N 3.23Å; R613-E617 WeakPolarHBondContact O-CB 3.17Å; R613-E617 PolarHBondContact O-N 3.27Å; R613-I623 HydrophobicContact CG-CD1 4.3Å
614	A	97.4	Very high	95	Very high	36 Å²	36	58.2 Å²	58.2	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-44.1	-178.7	0	0	0	0	0	112.2	A101 E610 L611 E617 K618	A101-A614 HydrophobicContact CB-CB 3.88Å; E610-A614 WeakPolarHBondContact O-CB 3.46Å; E610-A614 PolarHBondContact O-N 3.1Å; L611-A614 PolarHBondContact O-N 3Å; A614-E617 PolarHBondContact O-N 3.41Å; A614-K618 VanDerWaalsContact O-CB 3.3Å; A614-K618 WeakPolarHBondContact O-CB 3.37Å; A614-K618 PolarHBondContact O-N 3.04Å
615	C	97.8	Very high	94.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-46.8	176.4	-73.8	0	0	0	0	112.2	I186 L611 R613 E617 K618 W619	I186-C615 HydrophobicContact CD1-CB 3.78Å; L611-C615 WeakPolarHBondContact O-CB 3.09Å; L611-C615 PolarHBondContact O-N 3.2Å; L611-C615 PolarHBondContact O-SG 2.82Å; R613-C615 PolarHBondContact O-N 3.14Å; C615-E617 VanDerWaalsContact C-N 3.33Å; C615-E617 PolarHBondContact O-N 2.88Å; C615-K618 PolarHBondContact O-N 2.91Å; C615-W619 HydrophobicContact CB-CD2 4.34Å; C615-W619 HydrophobicContact CB-CE3 4.26Å; C615-W619 HydrophobicContact CB-CH2 3.62Å; C615-W619 HydrophobicContact CB-CZ2 3.73Å; C615-W619 HydrophobicContact CB-CZ3 3.92Å; C615-W619 WeakPolarHBondContact O-CB 3.22Å; C615-W619 PolarHBondContact O-N 3.4Å
616	L	96.6	Very high	94.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-37.8	-179.9	-92.5	68.1	0	0	0	111.8	I186 M197 Y612 R613 K620 I621 I623	I186-L616 HydrophobicContact CG1-CD1 4.47Å; I186-L616 HydrophobicContact CG2-CD1 4.26Å; M197-L616 HydrophobicContact CE-CD1 3.94Å; M197-L616 HydrophobicContact CE-CG 4.37Å; Y612-L616 HydrophobicContact CD2-CD1 3.77Å; Y612-L616 HydrophobicContact CD2-CD2 4.4Å; Y612-L616 HydrophobicContact CE1-CD2 4.47Å; Y612-L616 HydrophobicContact CE2-CD1 3.65Å; Y612-L616 HydrophobicContact CE2-CD2 3.58Å; Y612-L616 HydrophobicContact CE2-CG 4.27Å; Y612-L616 VanDerWaalsContact O-CD1 3.26Å; Y612-L616 WeakPolarHBondContact O-CD1 3.26Å; Y612-L616 PolarHBondContact O-N 3.39Å; R613-L616 PolarHBondContact O-N 3.23Å; L616-K620 PolarHBondContact O-N 3.31Å; L616-I621 HydrophobicContact CB-CB 4.48Å; L616-I621 HydrophobicContact CD2-CG2 4.4Å; L616-I621 HydrophobicContact CG-CB 4.14Å; L616-I621 HydrophobicContact CG-CG2 4.24Å; L616-I621 PolarHBondContact O-N 2.98Å; L616-I623 HydrophobicContact CB-CG1 4.29Å; L616-I623 HydrophobicContact CD2-CG1 3.85Å
617	E	95.9	Very high	93.8	Very high	156 Å²	156	60.6 Å²	60.6	73%	0.729	29%	0.285	S	S	*	.	H	α-helix	trans	-63.7	-52.4	173.8	-178.2	172	-165.1	0	0	111.6	R613 A614 C615 W619 K620	R613-E617 WeakPolarHBondContact O-CB 3.17Å; R613-E617 PolarHBondContact O-N 3.27Å; A614-E617 PolarHBondContact O-N 3.41Å; C615-E617 VanDerWaalsContact C-N 3.33Å; C615-E617 PolarHBondContact O-N 2.88Å; E617-W619 VanDerWaalsContact C-N 3.31Å; E617-W619 PolarHBondContact O-N 3.01Å; E617-K620 WeakPolarHBondContact O-CA 3.21Å; E617-K620 PolarHBondContact O-N 3.13Å
618	K	95.5	Very high	93.5	Very high	60 Å²	60	64.1 Å²	64.1	26%	0.261	31%	0.313	S	S	.	.	H	α-helix	trans	-53.2	-48.8	176.7	176.3	-178.3	166.2	-179.3	0	111.3	A101 D102 D104 A614 C615 K620	A101-K618 HydrophobicContact CB-CD 4.34Å; A101-K618 WeakPolarHBondContact O-CD 3.29Å; A101-K618 PolarHBondContact O-NZ 3.44Å; D102-K618 VanDerWaalsContact OD1-CE 3.27Å; D102-K618 WeakPolarHBondContact OD1-CE 3.23Å; D102-K618 IonicContact OD1-NZ 3.63Å; D102-K618 PolarHBondContact OD1-NZ 3.4Å; D104-K618 IonicContact OD2-NZ 3.51Å; A614-K618 VanDerWaalsContact O-CB 3.3Å; A614-K618 WeakPolarHBondContact O-CB 3.37Å; A614-K618 PolarHBondContact O-N 3.04Å; C615-K618 PolarHBondContact O-N 2.91Å; K618-K620 PolarHBondContact O-N 3.19Å
619	W	95.9	Very high	93.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	1	-179.3	-51.7	-22.2	0	0	0	112.6	I186 M197 N201 S204 R239 V431 T432 C615 E617 I621	I186-W619 HydrophobicContact CD1-CH2 3.57Å; I186-W619 HydrophobicContact CD1-CZ3 3.92Å; I186-W619 HydrophobicContact CG2-CH2 4.42Å; I186-W619 HydrophobicContact CG2-CZ3 3.85Å; M197-W619 HydrophobicContact CE-CE3 3.87Å; M197-W619 HydrophobicContact CE-CZ3 3.85Å; N201-W619 HydrophobicContact CB-CD2 4.17Å; N201-W619 HydrophobicContact CB-CE3 4.41Å; N201-W619 HydrophobicContact CB-CH2 3.92Å; N201-W619 HydrophobicContact CB-CZ2 3.61Å; N201-W619 HydrophobicContact CB-CZ3 4.29Å; N201-W619 WeakPolarHBondContact OD1-CZ2 3.4Å; S204-W619 VanDerWaalsContact CB-CD1 3.41Å; R239-W619 PolarHBondContact NH2-O 2.7Å; V431-W619 HydrophobicContact CG2-CH2 4.1Å; V431-W619 HydrophobicContact CG2-CZ2 3.76Å; T432-W619 HydrophobicContact CG2-CH2 3.28Å; T432-W619 HydrophobicContact CG2-CZ2 4.19Å; T432-W619 HydrophobicContact CG2-CZ3 3.68Å; C615-W619 HydrophobicContact CB-CD2 4.34Å; C615-W619 HydrophobicContact CB-CE3 4.26Å; C615-W619 HydrophobicContact CB-CH2 3.62Å; C615-W619 HydrophobicContact CB-CZ2 3.73Å; C615-W619 HydrophobicContact CB-CZ3 3.92Å; C615-W619 WeakPolarHBondContact O-CB 3.22Å; C615-W619 PolarHBondContact O-N 3.4Å; E617-W619 VanDerWaalsContact C-N 3.31Å; E617-W619 PolarHBondContact O-N 3.01Å; W619-I621 VanDerWaalsContact C-N 3.28Å; W619-I621 HydrophobicContact CB-CG1 3.97Å; W619-I621 PolarHBondContact O-N 2.91Å
620	K	95.2	Very high	92.8	Very high	92 Å²	92	60.4 Å²	60.4	40%	0.4	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	46.4	-179.6	-51.4	179.4	-179.7	175.1	0	111.8	R239 P244 Y245 L616 E617 K618	R239-K620 PolarHBondContact NH1-O 2.77Å; P244-K620 HydrophobicContact CB-CB 4.37Å; P244-K620 HydrophobicContact CB-CD 3.6Å; P244-K620 HydrophobicContact CG-CB 3.89Å; P244-K620 HydrophobicContact CG-CD 3.43Å; P244-K620 VanDerWaalsContact CG-CD 3.43Å; P244-K620 HydrophobicContact CG-CG 4.33Å; P244-K620 PolarHBondContact O-NZ 2.93Å; Y245-K620 HydrophobicContact CE1-CD 3.91Å; L616-K620 PolarHBondContact O-N 3.31Å; E617-K620 WeakPolarHBondContact O-CA 3.21Å; E617-K620 PolarHBondContact O-N 3.13Å; K618-K620 PolarHBondContact O-N 3.19Å
621	I	94.4	Very high	92.4	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.036	27%	0.267	C	S	.	.			trans	-104.3	126.4	174	-59.2	-60.2	0	0	0	108.1	F191 M197 A200 Y235 W238 R239 L616 W619	F191-I621 HydrophobicContact CE2-CD1 4.1Å; F191-I621 HydrophobicContact CE2-CG2 4.48Å; F191-I621 HydrophobicContact CZ-CD1 4.17Å; M197-I621 HydrophobicContact CE-CG1 4.33Å; M197-I621 HydrophobicContact CE-CG2 4.31Å; M197-I621 HydrophobicContact SD-CG2 4.46Å; A200-I621 HydrophobicContact CB-CD1 4.02Å; A200-I621 HydrophobicContact CB-CG1 4.24Å; Y235-I621 HydrophobicContact CE2-CD1 4.22Å; W238-I621 HydrophobicContact CE3-CD1 4.33Å; W238-I621 HydrophobicContact CH2-CD1 3.52Å; W238-I621 HydrophobicContact CZ3-CD1 3.29Å; R239-I621 VanDerWaalsContact NH2-CD1 3.3Å; L616-I621 HydrophobicContact CB-CB 4.48Å; L616-I621 HydrophobicContact CD2-CG2 4.4Å; L616-I621 HydrophobicContact CG-CB 4.14Å; L616-I621 HydrophobicContact CG-CG2 4.24Å; L616-I621 PolarHBondContact O-N 2.98Å; W619-I621 VanDerWaalsContact C-N 3.28Å; W619-I621 HydrophobicContact CB-CG1 3.97Å; W619-I621 PolarHBondContact O-N 2.91Å
622	P	91.8	Very high	91.9	Very high	44 Å²	44	54.6 Å²	54.6	29%	0.286	27%	0.267	S	S	.	.			trans	-67.7	138.9	-179.8	26.6	-33.5	0	0	0	111.8	I190 W238 T624 W631	I190-P622 HydrophobicContact CD1-CG 4.06Å; W238-P622 HydrophobicContact CZ2-CG 4.07Å; P622-T624 VanDerWaalsContact C-N 3.27Å; P622-T624 PolarHBondContact O-N 2.91Å; P622-W631 HydrophobicContact CB-CH2 4.36Å; P622-W631 HydrophobicContact CG-CH2 3.43Å; P622-W631 VanDerWaalsContact CG-CH2 3.43Å; P622-W631 HydrophobicContact CG-CZ2 3.81Å
623	I	91.6	Very high	91.4	Very high	93 Å²	93	52.6 Å²	52.6	48%	0.477	26%	0.259	S	S	.	.			trans	-80	79.1	173.1	-55	175.6	0	0	0	108.2	Y612 R613 L616	Y612-I623 HydrophobicContact CE1-CG2 4.21Å; R613-I623 HydrophobicContact CG-CD1 4.3Å; L616-I623 HydrophobicContact CB-CG1 4.29Å; L616-I623 HydrophobicContact CD2-CG1 3.85Å
624	T	86.7	Confident	90.8	Very high	43 Å²	43	47.4 Å²	47.4	26%	0.264	24%	0.24	S	C	.	.			trans	-129.9	142.6	-179.5	-54.9	0	0	0	0	110.1	I190 P622 R626	I190-T624 VanDerWaalsContact CG2-O 3.32Å; I190-T624 WeakPolarHBondContact CG2-O 3.03Å; P622-T624 VanDerWaalsContact C-N 3.27Å; P622-T624 PolarHBondContact O-N 2.91Å; T624-R626 PolarHBondContact O-N 2.95Å
625	E	83.4	Confident	90.1	Very high	157 Å²	157	47.7 Å²	47.7	73%	0.734	24%	0.24	S	C	*	.			trans	-68.4	129.7	172.7	-169.9	-178.7	-177.2	0	0	110.9	R627	E625-R627 PolarHBondContact O-N 2.79Å
626	R	89.1	Confident	89.3	Confident	65 Å²	65	52.3 Å²	52.3	25%	0.245	27%	0.268	C	S	.	.			trans	-67.1	120.5	172	-175.9	173.3	-175.9	-113.8	6.3	109.9	I190 F191 M192 D313 T624	I190-R626 VanDerWaalsContact O-CD 3.29Å; I190-R626 WeakPolarHBondContact O-CD 3.27Å; I190-R626 WeakPolarHBondContact O-CG 3.48Å; F191-R626 WeakPolarHBondContact O-CD 3.49Å; F191-R626 PolarHBondContact O-NE 2.89Å; M192-R626 VanDerWaalsContact CA-CZ 3.42Å; D313-R626 PolarHBondContact O-NH2 3.37Å; T624-R626 PolarHBondContact O-N 2.95Å
627	R	85	Confident	88.6	Confident	66 Å²	66	55.2 Å²	55.2	25%	0.249	28%	0.283	C	S	.	.			trans	-117.3	157.2	176.2	-69.4	177.2	-72	173.9	3.9	110.2	L315 E625 I629 L634 E650	L315-R627 WeakPolarHBondContact CD1-O 3.03Å; E625-R627 PolarHBondContact O-N 2.79Å; R627-I629 HydrophobicContact CB-CD1 4.16Å; R627-I629 HydrophobicContact CB-CG1 4.42Å; R627-I629 PolarHBondContact O-N 2.89Å; R627-L634 HydrophobicContact CB-CD2 4.26Å; R627-E650 IonicContact CZ-OE1 2.69Å; R627-E650 IonicContact CZ-OE2 2.96Å; R627-E650 IonicContact NE-OE2 3.23Å; R627-E650 IonicContact NH1-OE1 3.24Å; R627-E650 PolarHBondContact NH1-OE1 3.11Å; R627-E650 IonicContact NH1-OE2 3.87Å; R627-E650 PolarHBondContact NH1-OE2 3.22Å; R627-E650 IonicContact NH2-OE1 2.8Å; R627-E650 PolarHBondContact NH2-OE1 3.42Å; R627-E650 VanDerWaalsContact NH2-OE1 3.1Å
628	P	87.4	Confident	88.1	Confident	117 Å²	117	48.2 Å²	48.2	76%	0.76	25%	0.25	S	S	*	.	S	Bend	trans	-73.4	48.9	177.6	33.4	-37.1	0	0	0	112.3
629	I	87.6	Confident	87.5	Confident	22 Å²	22	46.3 Å²	46.3	11%	0.113	25%	0.245	C	C	.	.	S	Bend	trans	-135	127.7	-174.7	-60.1	164.9	0	0	0	107.1	R627 L633 L634 E650	R627-I629 HydrophobicContact CB-CD1 4.16Å; R627-I629 HydrophobicContact CB-CG1 4.42Å; R627-I629 PolarHBondContact O-N 2.89Å; I629-L633 HydrophobicContact CG2-CB 3.82Å; I629-L634 HydrophobicContact CB-CD2 3.89Å; I629-L634 HydrophobicContact CD1-CD2 4.4Å; I629-L634 HydrophobicContact CG2-CD2 4.1Å; I629-L634 HydrophobicContact CG2-CG 4.48Å; I629-E650 HydrophobicContact CD1-CB 3.62Å; I629-E650 HydrophobicContact CD1-CG 3.83Å; I629-E650 WeakPolarHBondContact CD1-OE2 3.38Å
630	P	89.4	Confident	87.1	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.045	27%	0.273	C	S	.	.			trans	-56.1	143.4	175.7	-25.9	34.7	0	0	0	112.5	L315 L633 L634 P743	L315-P630 CarbonylContact O-C 3.36Å; L315-P630 WeakPolarHBondContact O-CA 3.45Å; P630-L633 HydrophobicContact CB-CD1 4.31Å; P630-L633 HydrophobicContact CG-CD1 4.27Å; P630-L633 WeakPolarHBondContact O-CA 3.43Å; P630-L633 WeakPolarHBondContact O-CB 3.46Å; P630-L633 PolarHBondContact O-N 3.48Å; P630-L634 PolarHBondContact O-N 2.96Å; P630-P743 HydrophobicContact CB-CB 3.77Å; P630-P743 HydrophobicContact CB-CG 3.73Å; P630-P743 HydrophobicContact CG-CB 4.29Å; P630-P743 HydrophobicContact CG-CG 4.25Å
631	W	87.7	Confident	86.6	Confident	20 Å²	20	45.8 Å²	45.8	8%	0.076	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-49.8	-48.8	-169.4	-172.7	-105.7	0	0	0	116.7	I190 W238 N242 L315 A316 P622 L633 L634 N637	I190-W631 HydrophobicContact CB-CZ3 4.02Å; I190-W631 HydrophobicContact CD1-CE3 4.03Å; I190-W631 HydrophobicContact CD1-CH2 3.65Å; I190-W631 HydrophobicContact CD1-CZ2 4.31Å; I190-W631 HydrophobicContact CD1-CZ3 3.48Å; I190-W631 VanDerWaalsContact CD1-CZ3 3.48Å; I190-W631 HydrophobicContact CG1-CZ3 4.35Å; I190-W631 HydrophobicContact CG2-CH2 4.3Å; I190-W631 HydrophobicContact CG2-CZ3 3.89Å; W238-W631 AromaticContact CD1-CD1 3.87Å; W238-W631 AromaticContact CD1-CD2 3.87Å; W238-W631 AromaticContact CD1-CE2 3.89Å; W238-W631 AromaticContact CD1-CG 3.91Å; W238-W631 AromaticContact CD1-NE1 3.82Å; W238-W631 HydrophobicContact CZ2-CZ2 4.44Å; W238-W631 AromaticContact NE1-CD1 3.87Å; W238-W631 AromaticContact NE1-CD2 3.6Å; W238-W631 AromaticContact NE1-CE2 3.19Å; W238-W631 AromaticContact NE1-CZ2 3.54Å; W238-W631 AromaticContact NE1-NE1 3.34Å; N242-W631 PolarHBondContact OD1-NE1 3.07Å; L315-W631 WeakPolarHBondContact O-CB 3.33Å; L315-W631 PolarHBondContact O-N 2.92Å; A316-W631 WeakPolarHBondContact O-CB 3.31Å; P622-W631 HydrophobicContact CB-CH2 4.36Å; P622-W631 HydrophobicContact CG-CH2 3.43Å; P622-W631 VanDerWaalsContact CG-CH2 3.43Å; P622-W631 HydrophobicContact CG-CZ2 3.81Å; W631-L633 PolarHBondContact O-N 2.89Å; W631-L634 HydrophobicContact CD2-CD1 4.15Å; W631-L634 HydrophobicContact CE3-CD1 3.45Å; W631-L634 VanDerWaalsContact CE3-CD1 3.45Å; W631-L634 HydrophobicContact CH2-CD1 4.4Å; W631-L634 HydrophobicContact CZ3-CD1 3.6Å; W631-L634 PolarHBondContact O-N 3.06Å; W631-N637 VanDerWaalsContact CE2-ND2 3.26Å; W631-N637 WeakPolarHBondContact CZ2-ND2 3.45Å; W631-N637 WeakPolarHBondContact O-CB 3.47Å; W631-N637 PolarHBondContact O-ND2 3.04Å
632	P	87.2	Confident	86.3	Confident	4 Å²	4	45.5 Å²	45.5	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-71.9	-10.3	-179.9	31.2	-37.2	0	0	0	112.6	P743 Y775	P632-P743 HydrophobicContact CG-CB 4.27Å; P632-Y775 HydrophobicContact CG-CD2 3.88Å; P632-Y775 HydrophobicContact CG-CE1 4.44Å; P632-Y775 HydrophobicContact CG-CE2 3.58Å; P632-Y775 HydrophobicContact CG-CG 4.43Å
633	L	87.6	Confident	86.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-97.8	-8.5	-179.1	-61.9	-178.8	0	0	0	114	I629 P630 W631 S635 R638 I642 L646 H711 P743 S744	I629-L633 HydrophobicContact CG2-CB 3.82Å; P630-L633 HydrophobicContact CB-CD1 4.31Å; P630-L633 HydrophobicContact CG-CD1 4.27Å; P630-L633 WeakPolarHBondContact O-CA 3.43Å; P630-L633 WeakPolarHBondContact O-CB 3.46Å; P630-L633 PolarHBondContact O-N 3.48Å; W631-L633 PolarHBondContact O-N 2.89Å; L633-S635 PolarHBondContact O-N 3.1Å; L633-R638 PolarHBondContact O-NE 3.19Å; L633-R638 PolarHBondContact O-NH2 3.36Å; L633-I642 HydrophobicContact CD2-CG2 3.78Å; L633-L646 HydrophobicContact CD2-CD1 3.92Å; L633-H711 WeakPolarHBondContact CD1-O 3.22Å; L633-P743 HydrophobicContact CD1-CB 4.21Å; L633-S744 WeakPolarHBondContact CD2-OG 3.46Å
634	L	84.4	Confident	86	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-55.3	136	168.4	-66.3	171.5	0	0	0	109.1	R627 I629 P630 W631 T636 N637 R638	R627-L634 HydrophobicContact CB-CD2 4.26Å; I629-L634 HydrophobicContact CB-CD2 3.89Å; I629-L634 HydrophobicContact CD1-CD2 4.4Å; I629-L634 HydrophobicContact CG2-CD2 4.1Å; I629-L634 HydrophobicContact CG2-CG 4.48Å; P630-L634 PolarHBondContact O-N 2.96Å; W631-L634 HydrophobicContact CD2-CD1 4.15Å; W631-L634 HydrophobicContact CE3-CD1 3.45Å; W631-L634 VanDerWaalsContact CE3-CD1 3.45Å; W631-L634 HydrophobicContact CH2-CD1 4.4Å; W631-L634 HydrophobicContact CZ3-CD1 3.6Å; W631-L634 PolarHBondContact O-N 3.06Å; L634-T636 PolarHBondContact O-N 3.42Å; L634-N637 HydrophobicContact CB-CB 4.33Å; L634-N637 CarbonylContact O-C 3.49Å; L634-N637 WeakPolarHBondContact O-CA 3.38Å; L634-N637 PolarHBondContact O-N 3.04Å; L634-R638 PolarHBondContact O-N 3.43Å
635	S	82.2	Confident	86.1	Confident	42 Å²	42	49.2 Å²	49.2	29%	0.294	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-35.6	-175.4	48.2	0	0	0	0	113.8	L633 N637 R643 E650	L633-S635 PolarHBondContact O-N 3.1Å; S635-N637 VanDerWaalsContact C-N 3.29Å; S635-N637 PolarHBondContact O-N 3.29Å; S635-R643 PolarHBondContact O-NH2 2.89Å; S635-E650 WeakPolarHBondContact CB-OE1 3.36Å; S635-E650 PolarHBondContact N-OE1 3.47Å; S635-E650 PolarHBondContact OG-OE1 2.96Å
636	T	80.7	Confident	86.2	Confident	97 Å²	97	42.3 Å²	42.3	60%	0.595	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.6	176.7	55.9	0	0	0	0	114	L634	L634-T636 PolarHBondContact O-N 3.42Å
637	N	82.3	Confident	86	Confident	61 Å²	61	40.2 Å²	40.2	33%	0.326	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-12.1	-172	-60.5	-9.5	0	0	0	113.2	W631 L634 S635 S639	W631-N637 VanDerWaalsContact CE2-ND2 3.26Å; W631-N637 WeakPolarHBondContact CZ2-ND2 3.45Å; W631-N637 WeakPolarHBondContact O-CB 3.47Å; W631-N637 PolarHBondContact O-ND2 3.04Å; L634-N637 HydrophobicContact CB-CB 4.33Å; L634-N637 CarbonylContact O-C 3.49Å; L634-N637 WeakPolarHBondContact O-CA 3.38Å; L634-N637 PolarHBondContact O-N 3.04Å; S635-N637 VanDerWaalsContact C-N 3.29Å; S635-N637 PolarHBondContact O-N 3.29Å; N637-S639 PolarHBondContact O-N 2.92Å
638	R	85	Confident	85.8	Confident	9 Å²	9	43 Å²	43	3%	0.034	24%	0.239	C	C	.	.			trans	-57	129	179.7	-73	-179.7	-173.7	-177.7	-1.9	111.3	L633 L634 I642 R643 G647 S649	L633-R638 PolarHBondContact O-NE 3.19Å; L633-R638 PolarHBondContact O-NH2 3.36Å; L634-R638 PolarHBondContact O-N 3.43Å; R638-I642 HydrophobicContact CB-CG2 4.41Å; R638-I642 HydrophobicContact CG-CG2 4.09Å; R638-R643 HydrophobicContact CB-CB 4.47Å; R638-R643 PolarHBondContact O-NH2 3.07Å; R638-G647 PolarHBondContact NH1-O 2.89Å; R638-S649 PolarHBondContact NH1-O 3.46Å; R638-S649 PolarHBondContact NH2-O 2.72Å
639	S	84	Confident	85.5	Confident	21 Å²	21	40.6 Å²	40.6	15%	0.147	23%	0.226	C	C	.	.			trans	-66.8	158	165.3	65.9	0	0	0	0	110.8	N637 I641 I642 R643 G776	N637-S639 PolarHBondContact O-N 2.92Å; S639-I641 VanDerWaalsContact C-N 3.26Å; S639-I641 PolarHBondContact O-N 3.5Å; S639-I642 PolarHBondContact O-N 2.99Å; S639-I642 VanDerWaalsContact O-N 3.15Å; S639-I642 VanDerWaalsContact OG-CG1 3.23Å; S639-I642 WeakPolarHBondContact OG-CG1 3.4Å; S639-R643 PolarHBondContact O-N 3.14Å; S639-G776 WeakPolarHBondContact CB-O 3.27Å; S639-G776 PolarHBondContact OG-O 3.11Å
640	A	87	Confident	84.9	Confident	72 Å²	72	41.5 Å²	41.5	60%	0.595	23%	0.229	S	C	*	.	H	α-helix	trans	-58.6	-37.2	-175.4	0	0	0	0	0	112.9	R643 R644	A640-R643 PolarHBondContact O-N 3.2Å; A640-R644 PolarHBondContact O-N 3.12Å
641	I	85.3	Confident	84.2	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-67.3	-40.4	178.3	-174.5	57.6	0	0	0	112	S639 R644 L645 V772 C773	S639-I641 VanDerWaalsContact C-N 3.26Å; S639-I641 PolarHBondContact O-N 3.5Å; I641-R644 PolarHBondContact O-N 2.9Å; I641-L645 PolarHBondContact O-N 3.13Å; I641-V772 HydrophobicContact CG1-CG1 3.96Å; I641-C773 HydrophobicContact CG2-CB 4.4Å
642	I	87.8	Confident	83.4	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-39.4	177.9	-62.2	-68.3	0	0	0	110.6	L633 R638 S639 R644 L645 L646 Y709 S744	L633-I642 HydrophobicContact CD2-CG2 3.78Å; R638-I642 HydrophobicContact CB-CG2 4.41Å; R638-I642 HydrophobicContact CG-CG2 4.09Å; S639-I642 PolarHBondContact O-N 2.99Å; S639-I642 VanDerWaalsContact O-N 3.15Å; S639-I642 VanDerWaalsContact OG-CG1 3.23Å; S639-I642 WeakPolarHBondContact OG-CG1 3.4Å; I642-R644 VanDerWaalsContact C-N 3.3Å; I642-R644 PolarHBondContact O-N 3.38Å; I642-L645 PolarHBondContact O-N 2.77Å; I642-L645 VanDerWaalsContact O-N 3.17Å; I642-L646 HydrophobicContact CG2-CD1 3.65Å; I642-L646 HydrophobicContact CG2-CG 4.2Å; I642-L646 WeakPolarHBondContact O-CB 3.43Å; I642-L646 PolarHBondContact O-N 2.7Å; I642-Y709 HydrophobicContact CD1-CE2 3.91Å; I642-S744 WeakPolarHBondContact CD1-OG 3.4Å; I642-S744 WeakPolarHBondContact CG1-OG 3.32Å
643	R	89.5	Confident	82.6	Confident	93 Å²	93	54.9 Å²	54.9	35%	0.351	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-39.8	171.9	-169.7	175.6	-70.8	113.1	6.8	111.5	S635 R638 S639 A640 L645 G647 D648	S635-R643 PolarHBondContact O-NH2 2.89Å; R638-R643 HydrophobicContact CB-CB 4.47Å; R638-R643 PolarHBondContact O-NH2 3.07Å; S639-R643 PolarHBondContact O-N 3.14Å; A640-R643 PolarHBondContact O-N 3.2Å; R643-L645 VanDerWaalsContact C-N 3.35Å; R643-L645 PolarHBondContact O-N 2.91Å; R643-G647 CarbonylContact O-C 3.55Å; R643-G647 WeakPolarHBondContact O-CA 3.22Å; R643-G647 PolarHBondContact O-N 3.22Å; R643-D648 VanDerWaalsContact CD-OD1 3.24Å; R643-D648 WeakPolarHBondContact CD-OD1 3.48Å; R643-D648 VanDerWaalsContact CG-OD1 3.28Å; R643-D648 WeakPolarHBondContact CG-OD1 3.24Å; R643-D648 IonicContact NE-OD1 2.69Å
644	R	87.7	Confident	82.3	Confident	157 Å²	157	58.5 Å²	58.5	59%	0.592	33%	0.33	S	S	*	.	H	α-helix	trans	-65.4	-36.9	174.1	-172.4	174.9	177.6	-179.4	-2	112.6	A640 I641 I642 N656	A640-R644 PolarHBondContact O-N 3.12Å; I641-R644 PolarHBondContact O-N 2.9Å; I642-R644 VanDerWaalsContact C-N 3.3Å; I642-R644 PolarHBondContact O-N 3.38Å; R644-N656 PolarHBondContact O-ND2 3.09Å
645	L	87.9	Confident	82.5	Confident	9 Å²	9	59.1 Å²	59.1	5%	0.047	33%	0.333	C	S	.	.	H	α-helix	trans	-75.6	-41.1	-178.9	-177	62.3	0	0	0	113.4	I641 I642 R643 L655 N656 L658 Y709 W727 L746	I641-L645 PolarHBondContact O-N 3.13Å; I642-L645 PolarHBondContact O-N 2.77Å; I642-L645 VanDerWaalsContact O-N 3.17Å; R643-L645 VanDerWaalsContact C-N 3.35Å; R643-L645 PolarHBondContact O-N 2.91Å; L645-L655 HydrophobicContact CD1-CB 4.24Å; L645-L655 HydrophobicContact CD1-CD2 4.07Å; L645-L655 HydrophobicContact CD2-CD2 4.01Å; L645-L655 HydrophobicContact CG-CD2 3.72Å; L645-N656 WeakPolarHBondContact O-CB 3.31Å; L645-N656 PolarHBondContact O-N 3.23Å; L645-L658 HydrophobicContact CD1-CD2 4.06Å; L645-Y709 HydrophobicContact CD2-CD1 4.31Å; L645-Y709 HydrophobicContact CD2-CD2 3.67Å; L645-Y709 HydrophobicContact CD2-CE1 4.39Å; L645-Y709 HydrophobicContact CD2-CE2 3.78Å; L645-Y709 HydrophobicContact CD2-CG 3.95Å; L645-W727 HydrophobicContact CD1-CZ2 3.89Å; L645-L746 HydrophobicContact CD2-CD2 4.46Å
646	L	86.4	Confident	82.9	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-100.8	-14.1	-175.1	-57.8	178.6	0	0	0	114.1	L633 I642 F652 L655 Y709	L633-L646 HydrophobicContact CD2-CD1 3.92Å; I642-L646 HydrophobicContact CG2-CD1 3.65Å; I642-L646 HydrophobicContact CG2-CG 4.2Å; I642-L646 WeakPolarHBondContact O-CB 3.43Å; I642-L646 PolarHBondContact O-N 2.7Å; L646-F652 HydrophobicContact CB-CD2 4.38Å; L646-F652 HydrophobicContact CD2-CD2 3.37Å; L646-F652 HydrophobicContact CD2-CE2 3.53Å; L646-F652 HydrophobicContact CD2-CG 4.16Å; L646-F652 HydrophobicContact CD2-CZ 4.48Å; L646-F652 HydrophobicContact CG-CD2 4.43Å; L646-L655 HydrophobicContact CD2-CD2 3.46Å; L646-L655 VanDerWaalsContact CD2-CD2 3.46Å; L646-Y709 HydrophobicContact CD2-CE1 4.02Å
647	G	84.2	Confident	83.3	Confident	22 Å²	22	58.9 Å²	58.9	23%	0.227	33%	0.333	C	S	.	.			trans	74.5	-162.8	-166.2	0	0	0	0	0	112.9	R638 R643	R638-G647 PolarHBondContact NH1-O 2.89Å; R643-G647 CarbonylContact O-C 3.55Å; R643-G647 WeakPolarHBondContact O-CA 3.22Å; R643-G647 PolarHBondContact O-N 3.22Å
648	D	79.9	Confident	83.7	Confident	123 Å²	123	56.4 Å²	56.4	66%	0.658	32%	0.32	S	S	*	.	S	Bend	trans	-92	-19.3	-179.2	-63.7	-40.8	0	0	0	113.2	R643	R643-D648 VanDerWaalsContact CD-OD1 3.24Å; R643-D648 WeakPolarHBondContact CD-OD1 3.48Å; R643-D648 VanDerWaalsContact CG-OD1 3.28Å; R643-D648 WeakPolarHBondContact CG-OD1 3.24Å; R643-D648 IonicContact NE-OD1 2.69Å
649	S	81.1	Confident	83.9	Confident	68 Å²	68	56.6 Å²	56.6	48%	0.476	32%	0.322	S	S	.	.			trans	-66.9	135.1	177.1	-179.3	0	0	0	0	111.2	R638 N651	R638-S649 PolarHBondContact NH1-O 3.46Å; R638-S649 PolarHBondContact NH2-O 2.72Å; S649-N651 PolarHBondContact OG-N 3.3Å; S649-N651 VanDerWaalsContact OG-N 3.14Å; S649-N651 PolarHBondContact OG-O 3.44Å
650	E	76	Confident	83.9	Confident	40 Å²	40	59.7 Å²	59.7	19%	0.187	34%	0.344	C	S	.	.	S	Bend	trans	-78.9	-26.1	169	-78.5	-179.8	-179.6	0	0	113	R627 I629 S635 F652	R627-E650 IonicContact CZ-OE1 2.69Å; R627-E650 IonicContact CZ-OE2 2.96Å; R627-E650 IonicContact NE-OE2 3.23Å; R627-E650 IonicContact NH1-OE1 3.24Å; R627-E650 PolarHBondContact NH1-OE1 3.11Å; R627-E650 IonicContact NH1-OE2 3.87Å; R627-E650 PolarHBondContact NH1-OE2 3.22Å; R627-E650 IonicContact NH2-OE1 2.8Å; R627-E650 PolarHBondContact NH2-OE1 3.42Å; R627-E650 VanDerWaalsContact NH2-OE1 3.1Å; I629-E650 HydrophobicContact CD1-CB 3.62Å; I629-E650 HydrophobicContact CD1-CG 3.83Å; I629-E650 WeakPolarHBondContact CD1-OE2 3.38Å; S635-E650 WeakPolarHBondContact CB-OE1 3.36Å; S635-E650 PolarHBondContact N-OE1 3.47Å; S635-E650 PolarHBondContact OG-OE1 2.96Å; E650-F652 PolarHBondContact O-N 2.97Å
651	N	73.4	Confident	83.8	Confident	137 Å²	137	59.6 Å²	59.6	73%	0.733	33%	0.333	S	S	*	.	S	Bend	trans	-81.6	96.7	169.1	-69.5	-24.7	0	0	0	108.1	S649	S649-N651 PolarHBondContact OG-N 3.3Å; S649-N651 VanDerWaalsContact OG-N 3.14Å; S649-N651 PolarHBondContact OG-O 3.44Å
652	F	71.9	Confident	83.8	Confident	42 Å²	42	59.4 Å²	59.4	18%	0.184	33%	0.332	C	S	.	.			trans	-82.4	122.3	179.9	169.1	-94.9	0	0	0	110.6	L646 E650 S654 L655 Y719	L646-F652 HydrophobicContact CB-CD2 4.38Å; L646-F652 HydrophobicContact CD2-CD2 3.37Å; L646-F652 HydrophobicContact CD2-CE2 3.53Å; L646-F652 HydrophobicContact CD2-CG 4.16Å; L646-F652 HydrophobicContact CD2-CZ 4.48Å; L646-F652 HydrophobicContact CG-CD2 4.43Å; E650-F652 PolarHBondContact O-N 2.97Å; F652-S654 WeakPolarHBondContact CE2-O 3.46Å; F652-S654 VanDerWaalsContact CZ-CA 3.43Å; F652-L655 HydrophobicContact CE2-CB 4.25Å; F652-L655 HydrophobicContact CE2-CD2 3.51Å; F652-L655 HydrophobicContact CE2-CG 3.79Å; F652-L655 VanDerWaalsContact CE2-N 3.26Å; F652-L655 HydrophobicContact CZ-CB 4.18Å; F652-L655 HydrophobicContact CZ-CD2 3.66Å; F652-L655 HydrophobicContact CZ-CG 3.51Å; F652-Y719 HydrophobicContact CE1-CE2 4.49Å
653	T	71.1	Confident	83.4	Confident	134 Å²	134	61.4 Å²	61.4	82%	0.822	34%	0.34	S	S	*	.			trans	-106.6	-35	176.4	51.9	0	0	0	0	113
654	S	81.1	Confident	82.6	Confident	76 Å²	76	57.7 Å²	57.7	53%	0.531	33%	0.328	S	S	.	.			trans	-160.8	147.3	-178	58.3	0	0	0	0	112.2	F652	F652-S654 WeakPolarHBondContact CE2-O 3.46Å; F652-S654 VanDerWaalsContact CZ-CA 3.43Å
655	L	87.4	Confident	81.8	Confident	19 Å²	19	56.5 Å²	56.5	10%	0.099	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-78.6	139.5	178.8	-69.3	169.7	0	0	0	109.7	L645 L646 F652 Y709 Y719 W727	L645-L655 HydrophobicContact CD1-CB 4.24Å; L645-L655 HydrophobicContact CD1-CD2 4.07Å; L645-L655 HydrophobicContact CD2-CD2 4.01Å; L645-L655 HydrophobicContact CG-CD2 3.72Å; L646-L655 HydrophobicContact CD2-CD2 3.46Å; L646-L655 VanDerWaalsContact CD2-CD2 3.46Å; F652-L655 HydrophobicContact CE2-CB 4.25Å; F652-L655 HydrophobicContact CE2-CD2 3.51Å; F652-L655 HydrophobicContact CE2-CG 3.79Å; F652-L655 VanDerWaalsContact CE2-N 3.26Å; F652-L655 HydrophobicContact CZ-CB 4.18Å; F652-L655 HydrophobicContact CZ-CD2 3.66Å; F652-L655 HydrophobicContact CZ-CG 3.51Å; L655-Y709 HydrophobicContact CD1-CD1 3.81Å; L655-Y709 HydrophobicContact CD1-CG 4.41Å; L655-Y709 HydrophobicContact CD2-CD1 3.66Å; L655-Y709 HydrophobicContact CD2-CE1 3.7Å; L655-Y709 HydrophobicContact CG-CD1 4.38Å; L655-Y719 HydrophobicContact CD1-CD2 4.19Å; L655-Y719 HydrophobicContact CD1-CG 3.93Å; L655-W727 HydrophobicContact CB-CB 4.39Å; L655-W727 VanDerWaalsContact CB-CD1 3.45Å; L655-W727 HydrophobicContact CB-CD2 4Å; L655-W727 HydrophobicContact CB-CG 3.72Å; L655-W727 HydrophobicContact CD1-CB 4.17Å; L655-W727 HydrophobicContact CD1-CD2 3.28Å; L655-W727 HydrophobicContact CD1-CE3 3.41Å; L655-W727 VanDerWaalsContact CD1-CE3 3.41Å; L655-W727 HydrophobicContact CD1-CG 3.66Å; L655-W727 HydrophobicContact CD1-CH2 4.16Å; L655-W727 HydrophobicContact CD1-CZ2 4.05Å; L655-W727 HydrophobicContact CD1-CZ3 3.86Å; L655-W727 HydrophobicContact CG-CD2 4.24Å; L655-W727 HydrophobicContact CG-CG 4.27Å
656	N	90.4	Very high	81.3	Confident	75 Å²	75	60.7 Å²	60.7	40%	0.401	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-68.8	157.2	170.5	-68.5	-28.7	0	0	0	110.9	R644 L645 W727	R644-N656 PolarHBondContact O-ND2 3.09Å; L645-N656 WeakPolarHBondContact O-CB 3.31Å; L645-N656 PolarHBondContact O-N 3.23Å; N656-W727 PolarHBondContact O-NE1 3.27Å
657	A	90.4	Very high	81.3	Confident	59 Å²	59	60.4 Å²	60.4	49%	0.488	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-57.5	139.6	170.5	0	0	0	0	0	110.8	D725	A657-D725 WeakPolarHBondContact CB-OD1 3.45Å
658	L	90.6	Very high	81.6	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-68.1	150.9	171.3	-68.2	178.4	0	0	0	110.4	L645 Y662 R663 F707 T721 G724 W727 L746	L645-L658 HydrophobicContact CD1-CD2 4.06Å; L658-Y662 HydrophobicContact CB-CD2 4.3Å; L658-Y662 HydrophobicContact CD2-CD2 4.18Å; L658-R663 PolarHBondContact O-NH1 2.86Å; L658-F707 HydrophobicContact CD1-CB 3.83Å; L658-F707 HydrophobicContact CD1-CD1 3.94Å; L658-F707 HydrophobicContact CD1-CD2 3.88Å; L658-F707 HydrophobicContact CD1-CE2 4.49Å; L658-F707 HydrophobicContact CD1-CG 3.58Å; L658-T721 HydrophobicContact CD1-CG2 3.94Å; L658-G724 WeakPolarHBondContact CB-O 3.45Å; L658-G724 PolarHBondContact N-O 2.9Å; L658-W727 HydrophobicContact CD1-CH2 4.18Å; L658-W727 HydrophobicContact CD1-CZ2 3.87Å; L658-W727 HydrophobicContact CD2-CH2 4.41Å; L658-W727 HydrophobicContact CD2-CZ2 3.76Å; L658-W727 HydrophobicContact CG-CH2 4.41Å; L658-W727 HydrophobicContact CG-CZ2 3.66Å; L658-L746 HydrophobicContact CD2-CD2 4.06Å
659	P	88.1	Confident	82.2	Confident	12 Å²	12	58 Å²	58	8%	0.078	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-51.4	143.7	170.9	-26.2	35.9	0	0	0	112.3	D661 Y662	P659-D661 WeakPolarHBondContact CB-OD1 3.39Å; P659-D661 PolarHBondContact O-N 2.72Å; P659-Y662 HydrophobicContact CB-CD1 3.99Å; P659-Y662 HydrophobicContact CB-CE1 4.06Å; P659-Y662 HydrophobicContact CB-CG 4.29Å; P659-Y662 HydrophobicContact CG-CD1 4.32Å; P659-Y662 HydrophobicContact CG-CD2 4.36Å; P659-Y662 HydrophobicContact CG-CE1 4.07Å; P659-Y662 HydrophobicContact CG-CE2 4.12Å; P659-Y662 HydrophobicContact CG-CG 4.44Å; P659-Y662 WeakPolarHBondContact O-CB 3.4Å; P659-Y662 PolarHBondContact O-N 2.92Å
660	S	85.6	Confident	82.7	Confident	86 Å²	86	59.1 Å²	59.1	60%	0.601	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-61.3	-26.6	-175.9	51.4	0	0	0	0	113.6	Y662 R663 I666	S660-Y662 PolarHBondContact O-N 3.47Å; S660-R663 WeakPolarHBondContact O-CB 3.3Å; S660-R663 WeakPolarHBondContact O-CG 3.48Å; S660-R663 PolarHBondContact O-N 3.5Å; S660-I666 VanDerWaalsContact O-CD1 3.28Å; S660-I666 WeakPolarHBondContact O-CD1 3.38Å
661	D	84.5	Confident	83.5	Confident	70 Å²	70	57.8 Å²	57.8	37%	0.374	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-72.6	-8.2	174.2	52.1	-45.6	0	0	0	113.6	P659 T898	P659-D661 WeakPolarHBondContact CB-OD1 3.39Å; P659-D661 PolarHBondContact O-N 2.72Å; D661-T898 HydrophobicContact CB-CG2 4.47Å; D661-T898 WeakPolarHBondContact OD2-CG2 3.28Å
662	Y	85	Confident	84.4	Confident	4 Å²	4	54 Å²	54	2%	0.016	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-90.2	-11.6	176.3	-69.1	18.6	0	0	0	111.6	L658 P659 S660 R667 F707 V772 R780 F897 T898	L658-Y662 HydrophobicContact CB-CD2 4.3Å; L658-Y662 HydrophobicContact CD2-CD2 4.18Å; P659-Y662 HydrophobicContact CB-CD1 3.99Å; P659-Y662 HydrophobicContact CB-CE1 4.06Å; P659-Y662 HydrophobicContact CB-CG 4.29Å; P659-Y662 HydrophobicContact CG-CD1 4.32Å; P659-Y662 HydrophobicContact CG-CD2 4.36Å; P659-Y662 HydrophobicContact CG-CE1 4.07Å; P659-Y662 HydrophobicContact CG-CE2 4.12Å; P659-Y662 HydrophobicContact CG-CG 4.44Å; P659-Y662 WeakPolarHBondContact O-CB 3.4Å; P659-Y662 PolarHBondContact O-N 2.92Å; S660-Y662 PolarHBondContact O-N 3.47Å; Y662-R667 WeakPolarHBondContact O-CD 3.29Å; Y662-F707 HydrophobicContact CD2-CE1 4.29Å; Y662-F707 HydrophobicContact CG-CZ 4.49Å; Y662-F707 WeakPolarHBondContact O-CE2 3.47Å; Y662-F707 WeakPolarHBondContact O-CZ 3.32Å; Y662-V772 HydrophobicContact CE2-CG1 4.38Å; Y662-V772 HydrophobicContact CE2-CG2 4.15Å; Y662-R780 WeakPolarHBondContact OH-CD 3.32Å; Y662-R780 PolarHBondContact OH-NH1 3.49Å; Y662-F897 HydrophobicContact CD1-CD1 4.48Å; Y662-F897 HydrophobicContact CD1-CE1 4.13Å; Y662-F897 HydrophobicContact CD2-CE1 4.38Å; Y662-F897 HydrophobicContact CE1-CD1 4.33Å; Y662-F897 HydrophobicContact CE1-CE1 4.34Å; Y662-F897 HydrophobicContact CG-CE1 4.18Å; Y662-T898 HydrophobicContact CD1-CG2 4.05Å; Y662-T898 HydrophobicContact CE1-CG2 3.65Å
663	R	79.6	Confident	85.1	Confident	43 Å²	43	56.1 Å²	56.1	16%	0.162	33%	0.331	C	S	.	.			trans	-57.5	129.3	-170.8	-61.4	-76.4	-173.7	-111	-4.3	112.3	L658 S660 N665 I666 R667 D723 G724 D725	L658-R663 PolarHBondContact O-NH1 2.86Å; S660-R663 WeakPolarHBondContact O-CB 3.3Å; S660-R663 WeakPolarHBondContact O-CG 3.48Å; S660-R663 PolarHBondContact O-N 3.5Å; R663-N665 VanDerWaalsContact C-N 3.29Å; R663-N665 WeakPolarHBondContact CB-OD1 3.49Å; R663-N665 PolarHBondContact O-N 3.1Å; R663-I666 HydrophobicContact CB-CD1 3.99Å; R663-I666 HydrophobicContact CB-CG1 4.13Å; R663-I666 HydrophobicContact CG-CD1 4.38Å; R663-I666 WeakPolarHBondContact O-CB 3.43Å; R663-I666 PolarHBondContact O-N 3.49Å; R663-R667 PolarHBondContact O-N 3.42Å; R663-D723 WeakPolarHBondContact CD-O 3.43Å; R663-D723 PolarHBondContact NE-O 2.94Å; R663-D723 PolarHBondContact NH1-O 2.72Å; R663-G724 PolarHBondContact NH1-O 3.45Å; R663-D725 IonicContact CZ-OD1 3.14Å; R663-D725 IonicContact CZ-OD2 3.08Å; R663-D725 IonicContact NE-OD2 3.99Å; R663-D725 IonicContact NH1-OD1 3.64Å; R663-D725 IonicContact NH1-OD2 2.6Å; R663-D725 IonicContact NH2-OD1 2.72Å; R663-D725 PolarHBondContact NH2-OD1 3.3Å; R663-D725 IonicContact NH2-OD2 3.78Å; R663-D725 PolarHBondContact NH2-OD2 3.06Å
664	P	71.9	Confident	86	Confident	16 Å²	16	52.3 Å²	52.3	10%	0.104	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-35.2	-176.6	-30.5	38.7	0	0	0	114.9	I666 R667 L668 F707 V722	P664-I666 PolarHBondContact O-N 2.52Å; P664-R667 PolarHBondContact O-N 3.38Å; P664-R667 VanDerWaalsContact O-N 3.08Å; P664-L668 WeakPolarHBondContact O-CB 3.46Å; P664-L668 PolarHBondContact O-N 2.82Å; P664-F707 HydrophobicContact CG-CD2 4.4Å; P664-F707 HydrophobicContact CG-CE2 4.17Å; P664-V722 WeakPolarHBondContact CD-O 3.39Å; P664-V722 VanDerWaalsContact CG-O 3.28Å; P664-V722 WeakPolarHBondContact CG-O 3.34Å
665	N	72	Confident	86.4	Confident	131 Å²	131	50.5 Å²	50.5	70%	0.701	30%	0.298	S	S	*	.	H	α-helix	trans	-64.7	-20.6	177.3	64.6	-35.5	0	0	0	113.8	R663	R663-N665 VanDerWaalsContact C-N 3.29Å; R663-N665 WeakPolarHBondContact CB-OD1 3.49Å; R663-N665 PolarHBondContact O-N 3.1Å
666	I	76.1	Confident	86.4	Confident	98 Å²	98	50.2 Å²	50.2	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-87.3	-30.2	174.4	-58.3	178	0	0	0	110.4	S660 R663 P664	S660-I666 VanDerWaalsContact O-CD1 3.28Å; S660-I666 WeakPolarHBondContact O-CD1 3.38Å; R663-I666 HydrophobicContact CB-CD1 3.99Å; R663-I666 HydrophobicContact CB-CG1 4.13Å; R663-I666 HydrophobicContact CG-CD1 4.38Å; R663-I666 WeakPolarHBondContact O-CB 3.43Å; R663-I666 PolarHBondContact O-N 3.49Å; P664-I666 PolarHBondContact O-N 2.52Å
667	R	86.7	Confident	86.2	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.019	31%	0.309	C	S	.	.	H	α-helix	trans	-86.1	-24	-176.3	-60.6	-179.7	70.1	77.8	-1.2	113.7	Y662 R663 P664 D770 F897 F902	Y662-R667 WeakPolarHBondContact O-CD 3.29Å; R663-R667 PolarHBondContact O-N 3.42Å; P664-R667 PolarHBondContact O-N 3.38Å; P664-R667 VanDerWaalsContact O-N 3.08Å; R667-D770 IonicContact NH2-OD2 3.32Å; R667-D770 PolarHBondContact NH2-OD2 3.26Å; R667-F897 PolarHBondContact NH1-O 3.41Å; R667-F897 PolarHBondContact NH2-O 2.97Å; R667-F902 WeakPolarHBondContact O-CB 3.12Å; R667-F902 PolarHBondContact O-N 2.82Å
668	L	91.4	Very high	85.9	Confident	41 Å²	41	53.8 Å²	53.8	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.1	-168.8	-171	66.5	0	0	0	111.6	P664 P705 W748 L855 F902 N904	P664-L668 WeakPolarHBondContact O-CB 3.46Å; P664-L668 PolarHBondContact O-N 2.82Å; L668-P705 HydrophobicContact CD2-CG 4.18Å; L668-W748 HydrophobicContact CD1-CH2 4.49Å; L668-L855 HydrophobicContact CD1-CD2 3.6Å; L668-F902 WeakPolarHBondContact CA-O 2.76Å; L668-F902 HydrophobicContact CD1-CB 3.81Å; L668-N904 HydrophobicContact CD1-CB 3.91Å; L668-N904 HydrophobicContact CG-CB 4.37Å
669	T	92.5	Very high	85.6	Confident	52 Å²	52	53.7 Å²	53.7	32%	0.319	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.7	173	62	0	0	0	0	112	H901 F902 T903 N904	T669-H901 WeakPolarHBondContact CG2-NE2 3.36Å; T669-H901 PolarHBondContact OG1-CE1 3.15Å; T669-H901 VanDerWaalsContact OG1-CE1 3.22Å; T669-F902 PolarHBondContact N-O 3.37Å; T669-T903 CarbonylContact O-C 3.49Å; T669-T903 WeakPolarHBondContact O-CA 3.24Å; T669-N904 PolarHBondContact O-N 3.15Å
670	P	91.6	Very high	85.1	Confident	93 Å²	93	57.5 Å²	57.5	60%	0.604	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	144.9	170.7	29.7	-34.4	0	0	0	111.1
671	F	91.9	Very high	84.6	Confident	11 Å²	11	55.8 Å²	55.8	5%	0.048	31%	0.31	C	S	.	.			trans	-74	132.4	169.2	-166.7	-88.6	0	0	0	109.8	N675 I676 L682 L856 T903 N904 L905 P915	F671-N675 HydrophobicContact CD1-CB 4.2Å; F671-N675 HydrophobicContact CD2-CB 3.65Å; F671-N675 HydrophobicContact CE1-CB 3.97Å; F671-N675 HydrophobicContact CE2-CB 3.33Å; F671-N675 HydrophobicContact CG-CB 4.08Å; F671-N675 HydrophobicContact CZ-CB 3.51Å; F671-I676 HydrophobicContact CE1-CD1 4.3Å; F671-I676 HydrophobicContact CE1-CG1 3.52Å; F671-I676 HydrophobicContact CZ-CG1 4.07Å; F671-L682 HydrophobicContact CE2-CD1 4.42Å; F671-L856 HydrophobicContact CD2-CD1 3.66Å; F671-L856 HydrophobicContact CE2-CD1 3.38Å; F671-L856 HydrophobicContact CZ-CD1 4.49Å; F671-T903 HydrophobicContact CB-CG2 3.78Å; F671-T903 HydrophobicContact CD2-CG2 3.75Å; F671-T903 HydrophobicContact CG-CG2 4.2Å; F671-N904 VanDerWaalsContact CB-O 3.27Å; F671-N904 WeakPolarHBondContact CB-O 3.38Å; F671-N904 PolarHBondContact N-O 2.79Å; F671-L905 HydrophobicContact CB-CB 3.91Å; F671-L905 HydrophobicContact CB-CD1 3.9Å; F671-L905 HydrophobicContact CB-CG 4.48Å; F671-L905 HydrophobicContact CD1-CD1 3.61Å; F671-L905 HydrophobicContact CE1-CD1 4.29Å; F671-L905 HydrophobicContact CG-CB 4.2Å; F671-L905 HydrophobicContact CG-CD1 3.89Å; F671-L905 HydrophobicContact CG-CG 4.47Å; F671-P915 HydrophobicContact CD1-CB 3.72Å; F671-P915 HydrophobicContact CD1-CG 3.53Å; F671-P915 HydrophobicContact CE1-CB 3.96Å; F671-P915 HydrophobicContact CE1-CG 4.18Å; F671-P915 VanDerWaalsContact O-CG 3.3Å; F671-P915 WeakPolarHBondContact O-CG 3.29Å
672	T	91.9	Very high	84.3	Confident	59 Å²	59	53.1 Å²	53.1	36%	0.362	30%	0.296	S	S	.	.			trans	-126.8	171.4	-173.3	68.9	0	0	0	0	111.5	A674 N675 I676	T672-A674 PolarHBondContact O-N 3.12Å; T672-A674 PolarHBondContact OG1-N 3.38Å; T672-N675 PolarHBondContact N-OD1 3.16Å; T672-N675 WeakPolarHBondContact O-CB 3.33Å; T672-N675 PolarHBondContact O-N 3.43Å; T672-N675 PolarHBondContact OG1-OD1 3.11Å; T672-I676 PolarHBondContact O-N 3.19Å
673	N	88.3	Confident	84	Confident	85 Å²	85	55 Å²	55	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-25.9	173.7	-67.4	-44.1	0	0	0	112.7	N675 I676 N677 Y913	N673-N675 VanDerWaalsContact C-N 3.26Å; N673-N675 PolarHBondContact O-N 2.67Å; N673-I676 WeakPolarHBondContact O-CB 3.44Å; N673-I676 PolarHBondContact O-N 3.5Å; N673-N677 VanDerWaalsContact O-CG 3.26Å; N673-N677 PolarHBondContact O-N 3.2Å; N673-N677 PolarHBondContact O-ND2 3.47Å; N673-N677 PolarHBondContact O-OD1 3.48Å; N673-Y913 PolarHBondContact ND2-O 3.25Å
674	A	89.2	Confident	83.8	Confident	55 Å²	55	56.8 Å²	56.8	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-64	-34.1	172.7	0	0	0	0	0	111.9	T672 N677 N678	T672-A674 PolarHBondContact O-N 3.12Å; T672-A674 PolarHBondContact OG1-N 3.38Å; A674-N677 PolarHBondContact O-N 3.02Å; A674-N678 PolarHBondContact O-N 3.02Å; A674-N678 PolarHBondContact O-ND2 3.05Å
675	N	90.6	Very high	84	Confident	38 Å²	38	56 Å²	56	20%	0.203	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-36.4	174.9	-55.9	104.5	0	0	0	111.6	F671 T672 N673 N677 N678 L679 L682	F671-N675 HydrophobicContact CD1-CB 4.2Å; F671-N675 HydrophobicContact CD2-CB 3.65Å; F671-N675 HydrophobicContact CE1-CB 3.97Å; F671-N675 HydrophobicContact CE2-CB 3.33Å; F671-N675 HydrophobicContact CG-CB 4.08Å; F671-N675 HydrophobicContact CZ-CB 3.51Å; T672-N675 PolarHBondContact N-OD1 3.16Å; T672-N675 WeakPolarHBondContact O-CB 3.33Å; T672-N675 PolarHBondContact O-N 3.43Å; T672-N675 PolarHBondContact OG1-OD1 3.11Å; N673-N675 VanDerWaalsContact C-N 3.26Å; N673-N675 PolarHBondContact O-N 2.67Å; N675-N677 VanDerWaalsContact C-N 3.3Å; N675-N677 PolarHBondContact O-N 3.14Å; N675-N678 CarbonylContact O-C 3.52Å; N675-N678 PolarHBondContact O-N 2.72Å; N675-L679 PolarHBondContact O-N 2.92Å; N675-L682 HydrophobicContact CB-CD1 4.11Å; N675-L682 WeakPolarHBondContact O-CD1 3.36Å
676	I	85.9	Confident	84.6	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-41	171.6	-65.8	-171.3	0	0	0	111	F671 T672 N673 N678 L679 P915 T919 Y923	F671-I676 HydrophobicContact CE1-CD1 4.3Å; F671-I676 HydrophobicContact CE1-CG1 3.52Å; F671-I676 HydrophobicContact CZ-CG1 4.07Å; T672-I676 PolarHBondContact O-N 3.19Å; N673-I676 WeakPolarHBondContact O-CB 3.44Å; N673-I676 PolarHBondContact O-N 3.5Å; I676-N678 PolarHBondContact O-N 3.2Å; I676-L679 VanDerWaalsContact O-CB 3.29Å; I676-L679 WeakPolarHBondContact O-CB 3.45Å; I676-L679 PolarHBondContact O-N 3.15Å; I676-P915 HydrophobicContact CD1-CB 3.69Å; I676-P915 HydrophobicContact CG1-CB 4.34Å; I676-T919 HydrophobicContact CD1-CG2 4.43Å; I676-Y923 HydrophobicContact CD1-CD2 4.29Å; I676-Y923 HydrophobicContact CD1-CE2 4.06Å; I676-Y923 HydrophobicContact CG2-CD1 4.28Å; I676-Y923 HydrophobicContact CG2-CD2 4.13Å; I676-Y923 HydrophobicContact CG2-CE1 4.07Å; I676-Y923 HydrophobicContact CG2-CE2 3.92Å; I676-Y923 HydrophobicContact CG2-CG 4.32Å
677	N	86.2	Confident	85.3	Confident	125 Å²	125	46 Å²	46	67%	0.668	25%	0.254	S	S	*	.	H	α-helix	trans	-67.7	-21.2	-178.5	-65.7	-16.5	0	0	0	113.3	N673 A674 N675	N673-N677 VanDerWaalsContact O-CG 3.26Å; N673-N677 PolarHBondContact O-N 3.2Å; N673-N677 PolarHBondContact O-ND2 3.47Å; N673-N677 PolarHBondContact O-OD1 3.48Å; A674-N677 PolarHBondContact O-N 3.02Å; N675-N677 VanDerWaalsContact C-N 3.3Å; N675-N677 PolarHBondContact O-N 3.14Å
678	N	85.5	Confident	85.6	Confident	83 Å²	83	45.8 Å²	45.8	44%	0.444	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	27	178.7	-64.3	-32.8	0	0	0	111.9	A674 N675 I676 D680 I681 L682	A674-N678 PolarHBondContact O-N 3.02Å; A674-N678 PolarHBondContact O-ND2 3.05Å; N675-N678 CarbonylContact O-C 3.52Å; N675-N678 PolarHBondContact O-N 2.72Å; I676-N678 PolarHBondContact O-N 3.2Å; N678-D680 VanDerWaalsContact C-N 3.29Å; N678-D680 VanDerWaalsContact C-OD1 3.24Å; N678-D680 PolarHBondContact O-N 3.25Å; N678-I681 HydrophobicContact CB-CD1 4.43Å; N678-I681 PolarHBondContact O-N 3.03Å; N678-L682 WeakPolarHBondContact O-CG 3.31Å; N678-L682 PolarHBondContact O-N 2.57Å
679	L	83.3	Confident	85.9	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-68	-29.4	-171.4	-159.2	70.2	0	0	0	112.9	N675 I676 I681 L682 Y683 L816 L920 L924 M927	N675-L679 PolarHBondContact O-N 2.92Å; I676-L679 VanDerWaalsContact O-CB 3.29Å; I676-L679 WeakPolarHBondContact O-CB 3.45Å; I676-L679 PolarHBondContact O-N 3.15Å; L679-I681 VanDerWaalsContact C-N 3.25Å; L679-I681 PolarHBondContact O-N 3.05Å; L679-L682 PolarHBondContact O-N 2.94Å; L679-L682 VanDerWaalsContact O-N 3.17Å; L679-Y683 WeakPolarHBondContact O-CB 3.42Å; L679-Y683 PolarHBondContact O-N 3.1Å; L679-L816 HydrophobicContact CD1-CD2 4.49Å; L679-L920 HydrophobicContact CD1-CD1 3.55Å; L679-L920 HydrophobicContact CD2-CD1 3.85Å; L679-L920 HydrophobicContact CG-CD1 4.36Å; L679-L924 HydrophobicContact CD2-CD2 3.54Å; L679-L924 HydrophobicContact CD2-CG 4.32Å; L679-L924 HydrophobicContact CG-CD2 4.19Å; L679-M927 HydrophobicContact CD2-SD 3.95Å
680	D	77.4	Confident	86.1	Confident	92 Å²	92	41.3 Å²	41.3	49%	0.492	23%	0.228	S	C	.	.	H	α-helix	trans	-55	-40.5	172	64.1	-38.6	0	0	0	112.2	N678	N678-D680 VanDerWaalsContact C-N 3.29Å; N678-D680 VanDerWaalsContact C-OD1 3.24Å; N678-D680 PolarHBondContact O-N 3.25Å
681	I	75.9	Confident	86.3	Confident	50 Å²	50	36.9 Å²	36.9	26%	0.256	20%	0.199	S	C	.	.	H	α-helix	trans	-70.8	-46.8	174.6	-64.3	162.9	0	0	0	110.8	N678 L679 S685 R880	N678-I681 HydrophobicContact CB-CD1 4.43Å; N678-I681 PolarHBondContact O-N 3.03Å; L679-I681 VanDerWaalsContact C-N 3.25Å; L679-I681 PolarHBondContact O-N 3.05Å; I681-S685 WeakPolarHBondContact O-CB 3.42Å; I681-S685 PolarHBondContact O-OG 2.58Å; I681-R880 VanDerWaalsContact CG2-NH2 3.25Å
682	L	78.4	Confident	86.5	Confident	15 Å²	15	36.4 Å²	36.4	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-73.4	-33.7	-172.4	-61.3	174.3	0	0	0	112.9	F671 N675 N678 L679 H684 S685 R686 L816	F671-L682 HydrophobicContact CE2-CD1 4.42Å; N675-L682 HydrophobicContact CB-CD1 4.11Å; N675-L682 WeakPolarHBondContact O-CD1 3.36Å; N678-L682 WeakPolarHBondContact O-CG 3.31Å; N678-L682 PolarHBondContact O-N 2.57Å; L679-L682 PolarHBondContact O-N 2.94Å; L679-L682 VanDerWaalsContact O-N 3.17Å; L682-H684 VanDerWaalsContact C-N 3.29Å; L682-H684 PolarHBondContact O-N 2.76Å; L682-S685 PolarHBondContact O-N 3.44Å; L682-R686 HydrophobicContact CB-CG 3.97Å; L682-R686 HydrophobicContact CD2-CG 3.64Å; L682-R686 HydrophobicContact CG-CG 4.41Å; L682-R686 WeakPolarHBondContact O-CB 3.33Å; L682-R686 WeakPolarHBondContact O-CG 3.43Å; L682-R686 PolarHBondContact O-N 3.44Å; L682-L816 HydrophobicContact CB-CD2 4.48Å
683	Y	78.6	Confident	86.6	Confident	42 Å²	42	35 Å²	35	17%	0.165	19%	0.187	C	C	.	.	H	α-helix	trans	-57.3	-39.8	-171.5	-177	-110.8	0	0	0	113.2	L679 L816 S817 L924	L679-Y683 WeakPolarHBondContact O-CB 3.42Å; L679-Y683 PolarHBondContact O-N 3.1Å; Y683-L816 HydrophobicContact CD2-CG 4.39Å; Y683-S817 VanDerWaalsContact CE2-CA 3.45Å; Y683-S817 WeakPolarHBondContact OH-CB 3.49Å; Y683-L924 HydrophobicContact CD2-CD2 3.36Å; Y683-L924 HydrophobicContact CE2-CD1 4.4Å; Y683-L924 HydrophobicContact CE2-CD2 3.54Å; Y683-L924 HydrophobicContact CE2-CG 4.44Å; Y683-L924 HydrophobicContact CG-CD2 4.43Å
684	H	74.7	Confident	87	Confident	82 Å²	82	31.8 Å²	31.8	38%	0.38	17%	0.171	S	C	.	.	H	α-helix	trans	-99.2	-15.9	179.2	-66.5	-61.4	0	0	0	113.9	L682 T865 E866	L682-H684 VanDerWaalsContact C-N 3.29Å; L682-H684 PolarHBondContact O-N 2.76Å; H684-T865 HydrophobicContact CB-CG2 4.36Å; H684-E866 WeakPolarHBondContact O-CA 3.24Å; H684-E866 VanDerWaalsContact O-CB 3.31Å; H684-E866 WeakPolarHBondContact O-CB 3.34Å; H684-E866 PolarHBondContact O-N 3Å
685	S	75.4	Confident	87.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-106.1	-4.8	-173.4	65.4	0	0	0	0	114.7	I681 L682 H859 M860	I681-S685 WeakPolarHBondContact O-CB 3.42Å; I681-S685 PolarHBondContact O-OG 2.58Å; L682-S685 PolarHBondContact O-N 3.44Å; S685-H859 PolarHBondContact O-CE1 2.65Å; S685-M860 WeakPolarHBondContact O-CE 3.44Å
686	R	84.9	Confident	87.5	Confident	18 Å²	18	30.7 Å²	30.7	7%	0.068	16%	0.157	C	C	.	.			trans	-117.1	140.4	-173.1	-59.3	-60.4	-170.1	-99.3	9.6	113.1	L682 L816 V857 Q858 D862	L682-R686 HydrophobicContact CB-CG 3.97Å; L682-R686 HydrophobicContact CD2-CG 3.64Å; L682-R686 HydrophobicContact CG-CG 4.41Å; L682-R686 WeakPolarHBondContact O-CB 3.33Å; L682-R686 WeakPolarHBondContact O-CG 3.43Å; L682-R686 PolarHBondContact O-N 3.44Å; R686-L816 PolarHBondContact O-N 2.9Å; R686-V857 VanDerWaalsContact CD-O 3.25Å; R686-V857 WeakPolarHBondContact CD-O 3.36Å; R686-Q858 VanDerWaalsContact NH2-OE1 3.07Å; R686-D862 IonicContact CZ-OD1 3.24Å; R686-D862 IonicContact NH1-OD1 3.68Å; R686-D862 PolarHBondContact NH1-OD1 2.82Å; R686-D862 VanDerWaalsContact NH1-OD1 3.14Å; R686-D862 IonicContact NH2-OD1 3Å; R686-D862 PolarHBondContact NH2-OD1 2.87Å
687	I	90.9	Very high	87.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.9	165.9	-64.1	150.6	0	0	0	108.1	L689 Y784 R785 F813 L814 L856 V857 H859	I687-L689 HydrophobicContact CG2-CD2 4.19Å; I687-Y784 HydrophobicContact CD1-CD1 3.84Å; I687-Y784 HydrophobicContact CD1-CE1 4.2Å; I687-R785 HydrophobicContact CD1-CG 4.43Å; I687-F813 HydrophobicContact CB-CE1 4.27Å; I687-F813 HydrophobicContact CB-CZ 4.18Å; I687-F813 HydrophobicContact CD1-CE1 3.86Å; I687-F813 HydrophobicContact CD1-CE2 3.97Å; I687-F813 HydrophobicContact CD1-CZ 3.23Å; I687-F813 HydrophobicContact CG1-CE1 3.7Å; I687-F813 HydrophobicContact CG1-CE2 4.47Å; I687-F813 HydrophobicContact CG1-CZ 3.62Å; I687-F813 HydrophobicContact CG2-CD1 3.77Å; I687-F813 HydrophobicContact CG2-CD2 3.86Å; I687-F813 HydrophobicContact CG2-CE1 3.54Å; I687-F813 HydrophobicContact CG2-CE2 3.69Å; I687-F813 HydrophobicContact CG2-CG 3.92Å; I687-F813 HydrophobicContact CG2-CZ 3.54Å; I687-L814 CarbonylContact C-O 3.55Å; I687-L814 WeakPolarHBondContact CA-O 3.41Å; I687-L856 CarbonylContact O-C 3.58Å; I687-L856 WeakPolarHBondContact O-CA 3.38Å; I687-V857 HydrophobicContact CB-CB 4.2Å; I687-V857 HydrophobicContact CB-CG2 4.45Å; I687-V857 HydrophobicContact CG2-CG2 4.44Å; I687-V857 PolarHBondContact N-O 3.34Å; I687-V857 PolarHBondContact O-N 3.48Å; I687-H859 HydrophobicContact CD1-CB 4.11Å; I687-H859 VanDerWaalsContact CD1-CG 3.46Å; I687-H859 WeakPolarHBondContact CD1-ND1 3.41Å
688	A	93.8	Very high	88.1	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	117.2	171.8	0	0	0	0	0	110	L814 L816 L854 L856	A688-L814 PolarHBondContact N-O 2.9Å; A688-L814 PolarHBondContact O-N 3.48Å; A688-L816 HydrophobicContact CB-CD1 4.35Å; A688-L854 HydrophobicContact CB-CD2 4.45Å; A688-L856 HydrophobicContact CB-CD2 3.87Å
689	L	96.5	Very high	88.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	129.5	169.1	-53.1	177.8	0	0	0	109.6	I687 Y769 Y784 P811 P812 F813 L854 L855 V857 F902	I687-L689 HydrophobicContact CG2-CD2 4.19Å; L689-Y769 HydrophobicContact CD1-CD1 4.31Å; L689-Y784 VanDerWaalsContact CD1-OH 3.26Å; L689-Y784 WeakPolarHBondContact CD1-OH 3.25Å; L689-P811 HydrophobicContact CB-CB 4.2Å; L689-P812 WeakPolarHBondContact CA-O 3.34Å; L689-F813 HydrophobicContact CD2-CB 4.42Å; L689-F813 HydrophobicContact CD2-CD2 3.76Å; L689-F813 HydrophobicContact CD2-CE2 4.5Å; L689-F813 HydrophobicContact CD2-CG 4.33Å; L689-L854 WeakPolarHBondContact O-CA 3.29Å; L689-L855 HydrophobicContact CB-CB 4.2Å; L689-L855 HydrophobicContact CD1-CB 4.31Å; L689-L855 HydrophobicContact CD1-CD1 4.44Å; L689-L855 PolarHBondContact N-O 3.3Å; L689-L855 PolarHBondContact O-N 3.29Å; L689-V857 HydrophobicContact CD1-CG2 3.91Å; L689-V857 HydrophobicContact CD2-CG2 4.45Å; L689-V857 HydrophobicContact CG-CG2 3.78Å; L689-F902 HydrophobicContact CD1-CE1 4.4Å
690	V	96.9	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.4	175.8	-172.5	0	0	0	0	110.7	P811 P812 L814 Y822 F849 P851 L854 W907	V690-P811 WeakPolarHBondContact O-CB 3.41Å; V690-P812 HydrophobicContact CB-CB 4.1Å; V690-P812 HydrophobicContact CB-CG 4.25Å; V690-P812 HydrophobicContact CG2-CB 4.19Å; V690-P812 PolarHBondContact N-O 3.26Å; V690-P812 WeakPolarHBondContact O-CD 3.01Å; V690-L814 HydrophobicContact CG2-CD1 3.61Å; V690-L814 HydrophobicContact CG2-CG 4.36Å; V690-Y822 HydrophobicContact CB-CE1 4.42Å; V690-Y822 HydrophobicContact CG1-CE1 3.99Å; V690-Y822 WeakPolarHBondContact CG1-OH 3.4Å; V690-Y822 HydrophobicContact CG2-CD1 4.34Å; V690-Y822 HydrophobicContact CG2-CE1 3.75Å; V690-F849 HydrophobicContact CG1-CE2 4.32Å; V690-F849 HydrophobicContact CG1-CZ 4.45Å; V690-P851 HydrophobicContact CG1-CB 3.81Å; V690-P851 HydrophobicContact CG1-CG 4.12Å; V690-L854 HydrophobicContact CB-CD2 4.31Å; V690-L854 HydrophobicContact CG2-CD2 3.78Å; V690-W907 HydrophobicContact CG1-CH2 4.07Å; V690-W907 HydrophobicContact CG1-CZ3 3.86Å
691	C	96.6	Very high	89.7	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	146.5	-176.5	-57	0	0	0	0	111.4	Y769 P851 H852 S853	C691-Y769 WeakPolarHBondContact CB-OH 3.23Å; C691-Y769 PolarHBondContact SG-OH 3.18Å; C691-P851 CarbonylContact O-C 3.58Å; C691-P851 WeakPolarHBondContact O-CA 3.19Å; C691-H852 PolarHBondContact O-N 2.82Å; C691-S853 WeakPolarHBondContact CB-OG 2.96Å; C691-S853 PolarHBondContact N-O 2.61Å
692	G	95.4	Very high	90.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	167.7	176.7	0	0	0	0	0	113.4	Q850 H852	G692-Q850 VanDerWaalsContact CA-O 3.32Å; G692-Q850 WeakPolarHBondContact CA-O 3.38Å; G692-H852 VanDerWaalsContact C-CB 3.49Å
693	N	94.7	Very high	91.3	Very high	31 Å²	31	34.7 Å²	34.7	17%	0.166	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-54.5	126.4	176.2	-83.6	-22	0	0	0	111.2	F752 Y753 Q850 H852	N693-F752 CarbonylContact O-C 3.53Å; N693-F752 WeakPolarHBondContact O-CA 3.41Å; N693-F752 WeakPolarHBondContact O-CB 3.33Å; N693-Y753 PolarHBondContact O-N 3.04Å; N693-Q850 PolarHBondContact N-O 2.83Å; N693-Q850 VanDerWaalsContact N-O 3.15Å; N693-Q850 PolarHBondContact ND2-OE1 3.29Å; N693-H852 WeakPolarHBondContact OD1-CB 3.38Å; N693-H852 PolarHBondContact OD1-ND1 3.24Å
694	P	96	Very high	92	Very high	17 Å²	17	38.4 Å²	38.4	11%	0.11	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-63.4	143.4	-179.4	24.5	-33.6	0	0	0	111.6	P702 P751 Y753	P694-P702 HydrophobicContact CB-CB 4.26Å; P694-P702 HydrophobicContact CG-CB 3.85Å; P694-P751 WeakPolarHBondContact CA-O 3.5Å; P694-Y753 WeakPolarHBondContact O-CD2 3.25Å; P694-Y753 WeakPolarHBondContact O-CE2 3.28Å
695	S	95.8	Very high	92.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-64.6	153.4	168.3	-78.6	0	0	0	0	110.7	A703 P751 F752 H764	S695-A703 VanDerWaalsContact O-CB 3.23Å; S695-A703 WeakPolarHBondContact O-CB 3.48Å; S695-A703 PolarHBondContact O-N 3.41Å; S695-P751 PolarHBondContact N-O 3.15Å; S695-F752 PolarHBondContact OG-N 3.31Å; S695-F752 PolarHBondContact OG-O 3.44Å; S695-H764 PolarHBondContact OG-ND1 2.95Å
696	I	94.5	Very high	93.9	Very high	70 Å²	70	35.3 Å²	35.3	36%	0.359	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-84.1	135.3	171.1	-59.3	-61.7	0	0	0	110.7	S700 E701 Y753	I696-S700 VanDerWaalsContact CG2-CA 3.49Å; I696-E701 WeakPolarHBondContact CA-O 3.31Å; I696-Y753 HydrophobicContact CG1-CE2 4.3Å; I696-Y753 WeakPolarHBondContact CG1-OH 3.43Å; I696-Y753 PolarHBondContact N-OH 2.92Å; I696-Y753 VanDerWaalsContact N-OH 3.11Å
697	T	93.8	Very high	94.4	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.104	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-77.5	172.3	175	64.8	0	0	0	0	111.9	T699 S700 E701 A703 M733	T697-T699 PolarHBondContact O-N 3.46Å; T697-T699 PolarHBondContact OG1-N 2.85Å; T697-T699 PolarHBondContact OG1-OG1 3.37Å; T697-S700 PolarHBondContact O-N 3.47Å; T697-E701 WeakPolarHBondContact CG2-O 3.37Å; T697-E701 PolarHBondContact N-O 3.36Å; T697-E701 PolarHBondContact OG1-N 2.79Å; T697-E701 PolarHBondContact OG1-O 3.13Å; T697-E701 VanDerWaalsContact OG1-O 3.09Å; T697-A703 HydrophobicContact CG2-CB 4.12Å; T697-M733 CarbonylContact C-O 3.59Å; T697-M733 WeakPolarHBondContact CA-O 3.45Å
698	S	92.2	Very high	94.6	Very high	69 Å²	69	34.5 Å²	34.5	48%	0.483	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.5	171.8	55.1	0	0	0	0	113.6	S700 Q732 M733	S698-S700 VanDerWaalsContact C-N 3.27Å; S698-S700 PolarHBondContact O-N 3.05Å; S698-Q732 WeakPolarHBondContact CB-O 3.15Å; S698-Q732 PolarHBondContact OG-O 2.75Å; S698-M733 PolarHBondContact N-O 2.78Å; S698-M733 PolarHBondContact OG-O 3.12Å
699	T	92.5	Very high	94.7	Very high	90 Å²	90	34.5 Å²	34.5	55%	0.552	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	5	173.5	57.2	0	0	0	0	113.7	T697 E701	T697-T699 PolarHBondContact O-N 3.46Å; T697-T699 PolarHBondContact OG1-N 2.85Å; T697-T699 PolarHBondContact OG1-OG1 3.37Å; T699-E701 PolarHBondContact O-N 3.19Å
700	S	92.5	Very high	94.5	Very high	99 Å²	99	34.6 Å²	34.6	69%	0.692	20%	0.2	S	C	*	.	S	Bend	trans	65.7	20.5	-175.5	-52.2	0	0	0	0	114.8	I696 T697 S698	I696-S700 VanDerWaalsContact CG2-CA 3.49Å; T697-S700 PolarHBondContact O-N 3.47Å; S698-S700 VanDerWaalsContact C-N 3.27Å; S698-S700 PolarHBondContact O-N 3.05Å
701	E	93.7	Very high	94.1	Very high	124 Å²	124	35.8 Å²	35.8	58%	0.579	21%	0.205	S	C	*	.	S	Bend	trans	-101	153.7	175.6	-66	-176.6	164.3	0	0	111.1	I696 T697 T699 A703	I696-E701 WeakPolarHBondContact CA-O 3.31Å; T697-E701 WeakPolarHBondContact CG2-O 3.37Å; T697-E701 PolarHBondContact N-O 3.36Å; T697-E701 PolarHBondContact OG1-N 2.79Å; T697-E701 PolarHBondContact OG1-O 3.13Å; T697-E701 VanDerWaalsContact OG1-O 3.09Å; T699-E701 PolarHBondContact O-N 3.19Å; E701-A703 PolarHBondContact O-N 3.2Å
702	P	93.7	Very high	93.1	Very high	69 Å²	69	36 Å²	36	45%	0.448	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-60.4	131.5	169.4	-22.5	34.2	0	0	0	111.5	P694 Q704	P694-P702 HydrophobicContact CB-CB 4.26Å; P694-P702 HydrophobicContact CG-CB 3.85Å; P702-Q704 PolarHBondContact O-N 2.86Å
703	A	95	Very high	91.6	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-62	125	176.9	0	0	0	0	0	110.6	S695 T697 E701 M706 I734 Q750 P751	S695-A703 VanDerWaalsContact O-CB 3.23Å; S695-A703 WeakPolarHBondContact O-CB 3.48Å; S695-A703 PolarHBondContact O-N 3.41Å; T697-A703 HydrophobicContact CG2-CB 4.12Å; E701-A703 PolarHBondContact O-N 3.2Å; A703-M706 HydrophobicContact CB-CE 4.3Å; A703-I734 HydrophobicContact CB-CD1 4.02Å; A703-Q750 PolarHBondContact O-NE2 2.93Å; A703-P751 HydrophobicContact CB-CB 4.01Å; A703-P751 HydrophobicContact CB-CG 4.27Å
704	Q	93.2	Very high	90	Very high	119 Å²	119	39 Å²	39	56%	0.556	23%	0.233	S	C	*	.	P	Polyproline II helix	trans	-78.9	159.1	172.9	-61.6	-62.4	-26.2	0	0	110.8	P702 M706 V722	P702-Q704 PolarHBondContact O-N 2.86Å; Q704-M706 VanDerWaalsContact O-CE 3.29Å; Q704-M706 WeakPolarHBondContact O-CE 3.35Å; Q704-M706 PolarHBondContact O-N 3.2Å; Q704-V722 HydrophobicContact CB-CG1 4.43Å
705	P	94.1	Very high	88.1	Confident	15 Å²	15	42.2 Å²	42.2	10%	0.097	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-54.8	132.8	166.2	-24.3	35.2	0	0	0	110.8	L668 W748 G749 Y769	L668-P705 HydrophobicContact CD2-CG 4.18Å; P705-W748 HydrophobicContact CB-CZ2 3.77Å; P705-G749 CarbonylContact C-O 3.44Å; P705-G749 WeakPolarHBondContact CA-O 3.43Å; P705-Y769 HydrophobicContact CB-CE2 4.39Å; P705-Y769 HydrophobicContact CG-CE2 4.32Å
706	M	94.8	Very high	86.5	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	154.9	-170.4	57.8	-177.2	66.7	0	0	111.5	A703 Q704 I708 C720 T721 V722 L730 I734 G749 P751	A703-M706 HydrophobicContact CB-CE 4.3Å; Q704-M706 VanDerWaalsContact O-CE 3.29Å; Q704-M706 WeakPolarHBondContact O-CE 3.35Å; Q704-M706 PolarHBondContact O-N 3.2Å; M706-I708 HydrophobicContact CG-CD1 4.12Å; M706-I708 HydrophobicContact CG-CG1 3.94Å; M706-I708 HydrophobicContact SD-CD1 4.32Å; M706-I708 HydrophobicContact SD-CG1 4.29Å; M706-C720 HydrophobicContact SD-CB 3.78Å; M706-T721 WeakPolarHBondContact CA-O 3.14Å; M706-T721 WeakPolarHBondContact CB-O 3.49Å; M706-V722 HydrophobicContact CB-CG1 3.96Å; M706-V722 HydrophobicContact CE-CG1 4.37Å; M706-L730 HydrophobicContact SD-CD1 4.25Å; M706-I734 HydrophobicContact CE-CD1 4.26Å; M706-G749 PolarHBondContact N-O 3.11Å; M706-G749 PolarHBondContact O-N 2.86Å; M706-P751 HydrophobicContact CE-CG 4.2Å; M706-P751 HydrophobicContact SD-CG 4.01Å
707	F	95.4	Very high	86	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.4	164.8	-77	-90.7	0	0	0	109.4	L658 Y662 P664 C720 T721 W727 L746 I747 W748 V772 F897	L658-F707 HydrophobicContact CD1-CB 3.83Å; L658-F707 HydrophobicContact CD1-CD1 3.94Å; L658-F707 HydrophobicContact CD1-CD2 3.88Å; L658-F707 HydrophobicContact CD1-CE2 4.49Å; L658-F707 HydrophobicContact CD1-CG 3.58Å; Y662-F707 HydrophobicContact CD2-CE1 4.29Å; Y662-F707 HydrophobicContact CG-CZ 4.49Å; Y662-F707 WeakPolarHBondContact O-CE2 3.47Å; Y662-F707 WeakPolarHBondContact O-CZ 3.32Å; P664-F707 HydrophobicContact CG-CD2 4.4Å; P664-F707 HydrophobicContact CG-CE2 4.17Å; F707-C720 CarbonylContact O-C 3.43Å; F707-C720 WeakPolarHBondContact O-CA 3.29Å; F707-C720 WeakPolarHBondContact O-CB 3.48Å; F707-T721 HydrophobicContact CB-CG2 3.83Å; F707-T721 PolarHBondContact N-O 2.75Å; F707-T721 PolarHBondContact O-N 2.89Å; F707-W727 HydrophobicContact CB-CH2 4.4Å; F707-L746 HydrophobicContact CB-CD1 4.33Å; F707-L746 HydrophobicContact CD1-CD1 4.09Å; F707-L746 HydrophobicContact CD1-CG 4.47Å; F707-I747 CarbonylContact C-O 3.23Å; F707-I747 VanDerWaalsContact CA-O 3.31Å; F707-I747 WeakPolarHBondContact CA-O 3.23Å; F707-W748 HydrophobicContact CD1-CB 4.21Å; F707-W748 AromaticContact CD2-CD1 3.76Å; F707-W748 HydrophobicContact CE1-CB 3.92Å; F707-W748 HydrophobicContact CE1-CG 4.4Å; F707-W748 AromaticContact CE2-CD1 3.57Å; F707-W748 HydrophobicContact CE2-CG 4.2Å; F707-W748 HydrophobicContact CZ-CB 4.1Å; F707-W748 AromaticContact CZ-CD1 3.93Å; F707-W748 HydrophobicContact CZ-CG 4.11Å; F707-V772 HydrophobicContact CE1-CG2 4.21Å; F707-F897 HydrophobicContact CE1-CE1 4.31Å; F707-F897 AromaticContact CE1-CZ 3.71Å; F707-F897 HydrophobicContact CE1-CZ 3.71Å; F707-F897 HydrophobicContact CZ-CE1 4.35Å; F707-F897 AromaticContact CZ-CZ 3.92Å; F707-F897 HydrophobicContact CZ-CZ 3.92Å
708	I	95.6	Very high	86	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.9	177.5	-59.4	172.9	0	0	0	108.2	M706 T718 Y719 C720 L730 L741 L746 I747 L766	M706-I708 HydrophobicContact CG-CD1 4.12Å; M706-I708 HydrophobicContact CG-CG1 3.94Å; M706-I708 HydrophobicContact SD-CD1 4.32Å; M706-I708 HydrophobicContact SD-CG1 4.29Å; I708-T718 HydrophobicContact CG2-CG2 3.46Å; I708-T718 VanDerWaalsContact CG2-CG2 3.46Å; I708-Y719 CarbonylContact C-O 3.56Å; I708-Y719 VanDerWaalsContact CA-O 3.31Å; I708-Y719 WeakPolarHBondContact CA-O 3.15Å; I708-C720 HydrophobicContact CG1-CB 4.13Å; I708-L730 HydrophobicContact CD1-CD1 4.4Å; I708-L730 HydrophobicContact CG2-CD2 4.18Å; I708-L741 HydrophobicContact CG2-CD1 3.79Å; I708-L746 WeakPolarHBondContact O-CA 3.46Å; I708-I747 HydrophobicContact CB-CD1 4.44Å; I708-I747 HydrophobicContact CB-CG1 4.04Å; I708-I747 PolarHBondContact N-O 3.1Å; I708-I747 PolarHBondContact O-N 2.79Å; I708-L766 HydrophobicContact CD1-CD1 3.39Å; I708-L766 HydrophobicContact CD1-CD2 3.66Å; I708-L766 HydrophobicContact CD1-CG 4.18Å
709	Y	94.7	Very high	86.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	178.4	177.9	-111.3	0	0	0	110.5	I642 L645 L646 L655 H711 T718 Y719 T745 L746	I642-Y709 HydrophobicContact CD1-CE2 3.91Å; L645-Y709 HydrophobicContact CD2-CD1 4.31Å; L645-Y709 HydrophobicContact CD2-CD2 3.67Å; L645-Y709 HydrophobicContact CD2-CE1 4.39Å; L645-Y709 HydrophobicContact CD2-CE2 3.78Å; L645-Y709 HydrophobicContact CD2-CG 3.95Å; L646-Y709 HydrophobicContact CD2-CE1 4.02Å; L655-Y709 HydrophobicContact CD1-CD1 3.81Å; L655-Y709 HydrophobicContact CD1-CG 4.41Å; L655-Y709 HydrophobicContact CD2-CD1 3.66Å; L655-Y709 HydrophobicContact CD2-CE1 3.7Å; L655-Y709 HydrophobicContact CG-CD1 4.38Å; Y709-H711 HydrophobicContact CE1-CB 3.91Å; Y709-T718 CarbonylContact O-C 3.6Å; Y709-T718 WeakPolarHBondContact O-CA 3.13Å; Y709-Y719 HydrophobicContact CD1-CD2 4.37Å; Y709-Y719 PolarHBondContact N-O 3.48Å; Y709-Y719 PolarHBondContact O-N 2.61Å; Y709-T745 CarbonylContact C-O 3.58Å; Y709-T745 WeakPolarHBondContact CA-O 3.17Å; Y709-T745 WeakPolarHBondContact CD2-O 3.1Å; Y709-L746 HydrophobicContact CD2-CB 4.17Å
710	S	94	Very high	86.2	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	123.4	171.5	179.1	0	0	0	0	111.3	G712 L741 P742 P743 S744 T745	S710-G712 PolarHBondContact OG-N 3.47Å; S710-L741 WeakPolarHBondContact CB-O 3.44Å; S710-L741 PolarHBondContact OG-O 3.22Å; S710-P742 WeakPolarHBondContact CB-O 3.4Å; S710-P742 PolarHBondContact OG-O 2.89Å; S710-P743 CarbonylContact O-C 3.58Å; S710-S744 PolarHBondContact O-N 3.22Å; S710-T745 PolarHBondContact N-O 3.46Å
711	H	88.2	Confident	86.3	Confident	25 Å²	25	32.5 Å²	32.5	12%	0.116	18%	0.183	C	C	.	.			trans	-91	-16.6	172.3	-169.7	-90.3	0	0	0	112.2	L633 Y709 S713 D717	L633-H711 WeakPolarHBondContact CD1-O 3.22Å; Y709-H711 HydrophobicContact CE1-CB 3.91Å; H711-S713 PolarHBondContact O-N 3.16Å; H711-D717 HydrophobicContact CB-CB 4.05Å; H711-D717 PolarHBondContact N-O 3.4Å
712	G	75.4	Confident	86.2	Confident	4 Å²	4	30 Å²	30	4%	0.041	18%	0.176	C	C	.	.			trans	72.8	7.8	163.8	0	0	0	0	0	118.1	K319 S710	K319-G712 WeakPolarHBondContact CE-O 3.43Å; S710-G712 PolarHBondContact OG-N 3.47Å
713	S	63	Low	86	Confident	59 Å²	59	29.4 Å²	29.4	41%	0.413	17%	0.169	S	C	.	.	S	Bend	trans	-77.8	-41.8	175	136.9	0	0	0	0	111	K319 H711 D717	K319-S713 PolarHBondContact NZ-O 2.97Å; H711-S713 PolarHBondContact O-N 3.16Å; S713-D717 WeakPolarHBondContact CA-OD2 3.44Å; S713-D717 WeakPolarHBondContact CB-OD2 3.32Å; S713-D717 PolarHBondContact N-OD2 3Å; S713-D717 PolarHBondContact OG-OD2 3.21Å
714	A	62.8	Low	85.8	Confident	35 Å²	35	29.4 Å²	29.4	29%	0.289	17%	0.169	S	C	.	.	S	Bend	trans	-139.4	165.2	171.2	0	0	0	0	0	111.4	T716 D717	A714-T716 WeakPolarHBondContact CB-OG1 3.22Å; A714-T716 PolarHBondContact O-N 3.28Å; A714-T716 VanDerWaalsContact O-N 3.11Å; A714-D717 PolarHBondContact N-OD2 3.38Å; A714-D717 WeakPolarHBondContact O-CB 3.48Å; A714-D717 PolarHBondContact O-N 2.93Å
715	V	55.8	Low	85.6	Confident	84 Å²	84	27.4 Å²	27.4	51%	0.509	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-34	171.5	161.5	0	0	0	0	112	D717 N738	V715-D717 PolarHBondContact O-N 3.11Å; V715-N738 WeakPolarHBondContact CG1-OD1 3.03Å
716	T	62.2	Low	85.4	Confident	53 Å²	53	33 Å²	33	33%	0.325	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.9	-179.8	51.6	0	0	0	0	114.6	A714 T718 R729	A714-T716 WeakPolarHBondContact CB-OG1 3.22Å; A714-T716 PolarHBondContact O-N 3.28Å; A714-T716 VanDerWaalsContact O-N 3.11Å; T716-T718 PolarHBondContact O-N 3.44Å; T716-R729 VanDerWaalsContact CB-NH2 3.31Å; T716-R729 VanDerWaalsContact CG2-NH2 3.26Å
717	D	83.9	Confident	85.4	Confident	27 Å²	27	34.7 Å²	34.7	14%	0.144	19%	0.193	C	C	.	.			trans	-95.2	35.3	-173.3	-55.9	-15.6	0	0	0	111.7	H711 S713 A714 V715 Y719	H711-D717 HydrophobicContact CB-CB 4.05Å; H711-D717 PolarHBondContact N-O 3.4Å; S713-D717 WeakPolarHBondContact CA-OD2 3.44Å; S713-D717 WeakPolarHBondContact CB-OD2 3.32Å; S713-D717 PolarHBondContact N-OD2 3Å; S713-D717 PolarHBondContact OG-OD2 3.21Å; A714-D717 PolarHBondContact N-OD2 3.38Å; A714-D717 WeakPolarHBondContact O-CB 3.48Å; A714-D717 PolarHBondContact O-N 2.93Å; V715-D717 PolarHBondContact O-N 3.11Å; D717-Y719 HydrophobicContact CB-CE2 4.45Å
718	T	93	Very high	85.3	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.043	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124	172.8	-52.6	0	0	0	0	108.9	I708 Y709 T716 L730	I708-T718 HydrophobicContact CG2-CG2 3.46Å; I708-T718 VanDerWaalsContact CG2-CG2 3.46Å; Y709-T718 CarbonylContact O-C 3.6Å; Y709-T718 WeakPolarHBondContact O-CA 3.13Å; T716-T718 PolarHBondContact O-N 3.44Å; T718-L730 HydrophobicContact CG2-CB 4Å; T718-L730 HydrophobicContact CG2-CD2 3.57Å; T718-L730 HydrophobicContact CG2-CG 4.43Å; T718-L730 WeakPolarHBondContact O-CB 3.38Å; T718-L730 PolarHBondContact O-N 2.83Å
719	Y	94.4	Very high	85.1	Confident	49 Å²	49	41.5 Å²	41.5	19%	0.192	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149	-176.4	-58	-92.8	0	0	0	109.9	F652 L655 I708 Y709 D717 N728 R729	F652-Y719 HydrophobicContact CE1-CE2 4.49Å; L655-Y719 HydrophobicContact CD1-CD2 4.19Å; L655-Y719 HydrophobicContact CD1-CG 3.93Å; I708-Y719 CarbonylContact C-O 3.56Å; I708-Y719 VanDerWaalsContact CA-O 3.31Å; I708-Y719 WeakPolarHBondContact CA-O 3.15Å; Y709-Y719 HydrophobicContact CD1-CD2 4.37Å; Y709-Y719 PolarHBondContact N-O 3.48Å; Y709-Y719 PolarHBondContact O-N 2.61Å; D717-Y719 HydrophobicContact CB-CE2 4.45Å; Y719-N728 CarbonylContact C-O 3.59Å; Y719-N728 VanDerWaalsContact CA-O 3.24Å; Y719-N728 WeakPolarHBondContact CA-O 3.09Å; Y719-R729 HydrophobicContact CD1-CG 4.17Å; Y719-R729 HydrophobicContact CE1-CG 3.94Å
720	C	95	Very high	85.1	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154.2	176.4	63.7	0	0	0	0	112.6	M706 F707 I708 N728 L730	M706-C720 HydrophobicContact SD-CB 3.78Å; F707-C720 CarbonylContact O-C 3.43Å; F707-C720 WeakPolarHBondContact O-CA 3.29Å; F707-C720 WeakPolarHBondContact O-CB 3.48Å; I708-C720 HydrophobicContact CG1-CB 4.13Å; C720-N728 PolarHBondContact N-O 2.77Å; C720-N728 PolarHBondContact O-N 3.25Å; C720-L730 HydrophobicContact CB-CD1 3.93Å
721	T	94.3	Very high	85	Confident	3 Å²	3	44.1 Å²	44.1	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	138.7	176.2	-179	0	0	0	0	110.7	L658 M706 F707 D723 G724 Q726 W727	L658-T721 HydrophobicContact CD1-CG2 3.94Å; M706-T721 WeakPolarHBondContact CA-O 3.14Å; M706-T721 WeakPolarHBondContact CB-O 3.49Å; F707-T721 HydrophobicContact CB-CG2 3.83Å; F707-T721 PolarHBondContact N-O 2.75Å; F707-T721 PolarHBondContact O-N 2.89Å; T721-D723 PolarHBondContact OG1-OD1 2.74Å; T721-G724 VanDerWaalsContact OG1-CA 3.24Å; T721-G724 WeakPolarHBondContact OG1-CA 3.35Å; T721-G724 PolarHBondContact OG1-N 2.89Å; T721-Q726 WeakPolarHBondContact CB-O 3.23Å; T721-Q726 PolarHBondContact OG1-O 3.5Å; T721-W727 HydrophobicContact CG2-CD2 3.8Å; T721-W727 HydrophobicContact CG2-CE3 3.71Å; T721-W727 HydrophobicContact CG2-CH2 3.75Å; T721-W727 HydrophobicContact CG2-CZ2 3.82Å; T721-W727 HydrophobicContact CG2-CZ3 3.69Å
722	V	92	Very high	85.3	Confident	71 Å²	71	48.3 Å²	48.3	43%	0.43	26%	0.257	S	S	.	.	S	Bend	trans	-100.2	-23.2	177.8	-68.2	0	0	0	0	112.1	P664 Q704 M706	P664-V722 WeakPolarHBondContact CD-O 3.39Å; P664-V722 VanDerWaalsContact CG-O 3.28Å; P664-V722 WeakPolarHBondContact CG-O 3.34Å; Q704-V722 HydrophobicContact CB-CG1 4.43Å; M706-V722 HydrophobicContact CB-CG1 3.96Å; M706-V722 HydrophobicContact CE-CG1 4.37Å
723	D	90.1	Very high	86.2	Confident	56 Å²	56	50.4 Å²	50.4	30%	0.299	27%	0.266	S	S	.	.	S	Bend	trans	-105.4	-11.6	177.5	60.6	8.1	0	0	0	111.6	R663 T721 D725 Q726	R663-D723 WeakPolarHBondContact CD-O 3.43Å; R663-D723 PolarHBondContact NE-O 2.94Å; R663-D723 PolarHBondContact NH1-O 2.72Å; T721-D723 PolarHBondContact OG1-OD1 2.74Å; D723-D725 PolarHBondContact O-N 2.81Å; D723-D725 PolarHBondContact OD1-N 3.27Å; D723-Q726 PolarHBondContact OD1-N 3.23Å
724	G	89.6	Confident	87.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.01	25%	0.247	C	C	.	.	S	Bend	trans	71.4	8.6	-174.3	0	0	0	0	0	114.6	L658 R663 T721	L658-G724 WeakPolarHBondContact CB-O 3.45Å; L658-G724 PolarHBondContact N-O 2.9Å; R663-G724 PolarHBondContact NH1-O 3.45Å; T721-G724 VanDerWaalsContact OG1-CA 3.24Å; T721-G724 WeakPolarHBondContact OG1-CA 3.35Å; T721-G724 PolarHBondContact OG1-N 2.89Å
725	D	88.6	Confident	89.1	Confident	78 Å²	78	50.3 Å²	50.3	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-111.5	-54.6	176.4	-74.6	-40.4	0	0	0	110.1	A657 R663 D723 W727	A657-D725 WeakPolarHBondContact CB-OD1 3.45Å; R663-D725 IonicContact CZ-OD1 3.14Å; R663-D725 IonicContact CZ-OD2 3.08Å; R663-D725 IonicContact NE-OD2 3.99Å; R663-D725 IonicContact NH1-OD1 3.64Å; R663-D725 IonicContact NH1-OD2 2.6Å; R663-D725 IonicContact NH2-OD1 2.72Å; R663-D725 PolarHBondContact NH2-OD1 3.3Å; R663-D725 IonicContact NH2-OD2 3.78Å; R663-D725 PolarHBondContact NH2-OD2 3.06Å; D723-D725 PolarHBondContact O-N 2.81Å; D723-D725 PolarHBondContact OD1-N 3.27Å; D725-W727 PolarHBondContact O-N 2.82Å
726	Q	91.5	Very high	90.8	Very high	133 Å²	133	54.3 Å²	54.3	62%	0.621	27%	0.267	S	S	*	.	S	Bend	trans	-90.7	109.7	-178.8	-62.9	-169.8	1	0	0	110.6	T721 D723	T721-Q726 WeakPolarHBondContact CB-O 3.23Å; T721-Q726 PolarHBondContact OG1-O 3.5Å; D723-Q726 PolarHBondContact OD1-N 3.23Å
727	W	93	Very high	92.4	Very high	38 Å²	38	52 Å²	52	14%	0.144	25%	0.253	C	S	.	.			trans	-89.2	124.7	173.7	-70.2	96.5	0	0	0	110.9	L645 L655 N656 L658 F707 T721 D725 L746	L645-W727 HydrophobicContact CD1-CZ2 3.89Å; L655-W727 HydrophobicContact CB-CB 4.39Å; L655-W727 VanDerWaalsContact CB-CD1 3.45Å; L655-W727 HydrophobicContact CB-CD2 4Å; L655-W727 HydrophobicContact CB-CG 3.72Å; L655-W727 HydrophobicContact CD1-CB 4.17Å; L655-W727 HydrophobicContact CD1-CD2 3.28Å; L655-W727 HydrophobicContact CD1-CE3 3.41Å; L655-W727 VanDerWaalsContact CD1-CE3 3.41Å; L655-W727 HydrophobicContact CD1-CG 3.66Å; L655-W727 HydrophobicContact CD1-CH2 4.16Å; L655-W727 HydrophobicContact CD1-CZ2 4.05Å; L655-W727 HydrophobicContact CD1-CZ3 3.86Å; L655-W727 HydrophobicContact CG-CD2 4.24Å; L655-W727 HydrophobicContact CG-CG 4.27Å; N656-W727 PolarHBondContact O-NE1 3.27Å; L658-W727 HydrophobicContact CD1-CH2 4.18Å; L658-W727 HydrophobicContact CD1-CZ2 3.87Å; L658-W727 HydrophobicContact CD2-CH2 4.41Å; L658-W727 HydrophobicContact CD2-CZ2 3.76Å; L658-W727 HydrophobicContact CG-CH2 4.41Å; L658-W727 HydrophobicContact CG-CZ2 3.66Å; F707-W727 HydrophobicContact CB-CH2 4.4Å; T721-W727 HydrophobicContact CG2-CD2 3.8Å; T721-W727 HydrophobicContact CG2-CE3 3.71Å; T721-W727 HydrophobicContact CG2-CH2 3.75Å; T721-W727 HydrophobicContact CG2-CZ2 3.82Å; T721-W727 HydrophobicContact CG2-CZ3 3.69Å; D725-W727 PolarHBondContact O-N 2.82Å; W727-L746 HydrophobicContact CH2-CD1 3.97Å
728	N	93.5	Very high	92.8	Very high	64 Å²	64	53.3 Å²	53.3	34%	0.342	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	156.5	175.2	-65.7	-72.1	0	0	0	109.6	Y719 C720 M733	Y719-N728 CarbonylContact C-O 3.59Å; Y719-N728 VanDerWaalsContact CA-O 3.24Å; Y719-N728 WeakPolarHBondContact CA-O 3.09Å; C720-N728 PolarHBondContact N-O 2.77Å; C720-N728 PolarHBondContact O-N 3.25Å; N728-M733 HydrophobicContact CB-CG 3.67Å; N728-M733 HydrophobicContact CB-SD 4.09Å
729	R	93	Very high	92.9	Very high	78 Å²	78	53.2 Å²	53.2	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.6	170.6	-74.8	178.4	51.3	165	-1.9	110.7	T716 Y719 D731 Q732 M733	T716-R729 VanDerWaalsContact CB-NH2 3.31Å; T716-R729 VanDerWaalsContact CG2-NH2 3.26Å; Y719-R729 HydrophobicContact CD1-CG 4.17Å; Y719-R729 HydrophobicContact CE1-CG 3.94Å; R729-D731 VanDerWaalsContact C-N 3.32Å; R729-D731 WeakPolarHBondContact CB-OD1 3.46Å; R729-D731 IonicContact CZ-OD1 2.69Å; R729-D731 IonicContact CZ-OD2 3.58Å; R729-D731 IonicContact NE-OD1 3.77Å; R729-D731 PolarHBondContact NE-OD1 3.15Å; R729-D731 IonicContact NE-OD2 2.81Å; R729-D731 IonicContact NH2-OD1 3.93Å; R729-D731 PolarHBondContact NH2-OD1 2.89Å; R729-D731 IonicContact NH2-OD2 2.7Å; R729-D731 PolarHBondContact NH2-OD2 2.8Å; R729-D731 PolarHBondContact O-N 3.22Å; R729-Q732 HydrophobicContact CB-CB 4.24Å; R729-Q732 HydrophobicContact CB-CG 3.93Å; R729-Q732 PolarHBondContact O-N 2.96Å; R729-Q732 VanDerWaalsContact O-N 3.15Å; R729-M733 PolarHBondContact O-N 3.02Å; R729-M733 VanDerWaalsContact O-N 3.15Å
730	L	94.4	Very high	92.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-40.1	-176.3	-175.5	62.6	0	0	0	112	M706 I708 T718 C720 Q732 M733 I734 L737 P739	M706-L730 HydrophobicContact SD-CD1 4.25Å; I708-L730 HydrophobicContact CD1-CD1 4.4Å; I708-L730 HydrophobicContact CG2-CD2 4.18Å; T718-L730 HydrophobicContact CG2-CB 4Å; T718-L730 HydrophobicContact CG2-CD2 3.57Å; T718-L730 HydrophobicContact CG2-CG 4.43Å; T718-L730 WeakPolarHBondContact O-CB 3.38Å; T718-L730 PolarHBondContact O-N 2.83Å; C720-L730 HydrophobicContact CB-CD1 3.93Å; L730-Q732 VanDerWaalsContact C-N 3.26Å; L730-Q732 PolarHBondContact O-N 3.4Å; L730-M733 PolarHBondContact O-N 3.06Å; L730-I734 PolarHBondContact O-N 2.74Å; L730-L737 HydrophobicContact CD1-CD2 3.82Å; L730-L737 HydrophobicContact CD2-CD2 3.91Å; L730-L737 HydrophobicContact CD2-CG 4.26Å; L730-L737 HydrophobicContact CG-CD2 4Å; L730-P739 HydrophobicContact CD2-CG 3.74Å
731	D	91.6	Very high	92.8	Very high	56 Å²	56	52.4 Å²	52.4	30%	0.299	26%	0.255	S	S	.	.	H	α-helix	trans	-71.6	-17.6	179.1	68.7	-31.8	0	0	0	113.5	R729 P735	R729-D731 VanDerWaalsContact C-N 3.32Å; R729-D731 WeakPolarHBondContact CB-OD1 3.46Å; R729-D731 IonicContact CZ-OD1 2.69Å; R729-D731 IonicContact CZ-OD2 3.58Å; R729-D731 IonicContact NE-OD1 3.77Å; R729-D731 PolarHBondContact NE-OD1 3.15Å; R729-D731 IonicContact NE-OD2 2.81Å; R729-D731 IonicContact NH2-OD1 3.93Å; R729-D731 PolarHBondContact NH2-OD1 2.89Å; R729-D731 IonicContact NH2-OD2 2.7Å; R729-D731 PolarHBondContact NH2-OD2 2.8Å; R729-D731 PolarHBondContact O-N 3.22Å; D731-P735 WeakPolarHBondContact O-CA 3.08Å
732	Q	93.3	Very high	92.7	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-84.1	-37.6	171.9	-65.7	178.4	-11.5	0	0	111.4	S698 R729 L730	S698-Q732 WeakPolarHBondContact CB-O 3.15Å; S698-Q732 PolarHBondContact OG-O 2.75Å; R729-Q732 HydrophobicContact CB-CB 4.24Å; R729-Q732 HydrophobicContact CB-CG 3.93Å; R729-Q732 PolarHBondContact O-N 2.96Å; R729-Q732 VanDerWaalsContact O-N 3.15Å; L730-Q732 VanDerWaalsContact C-N 3.26Å; L730-Q732 PolarHBondContact O-N 3.4Å
733	M	94.4	Very high	92.7	Very high	48 Å²	48	49.1 Å²	49.1	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-72.3	-39	176.6	-69.9	-65.9	-73.5	0	0	111.6	T697 S698 N728 R729 L730	T697-M733 CarbonylContact C-O 3.59Å; T697-M733 WeakPolarHBondContact CA-O 3.45Å; S698-M733 PolarHBondContact N-O 2.78Å; S698-M733 PolarHBondContact OG-O 3.12Å; N728-M733 HydrophobicContact CB-CG 3.67Å; N728-M733 HydrophobicContact CB-SD 4.09Å; R729-M733 PolarHBondContact O-N 3.02Å; R729-M733 VanDerWaalsContact O-N 3.15Å; L730-M733 PolarHBondContact O-N 3.06Å
734	I	95.1	Very high	92.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.222	C	C	.	.	S	Bend	trans	-140.5	84.5	-176.2	-49.9	177.8	0	0	0	109.4	A703 M706 L730 R736 L737 P751	A703-I734 HydrophobicContact CB-CD1 4.02Å; M706-I734 HydrophobicContact CE-CD1 4.26Å; L730-I734 PolarHBondContact O-N 2.74Å; I734-R736 PolarHBondContact O-N 3.22Å; I734-L737 HydrophobicContact CB-CB 3.91Å; I734-L737 HydrophobicContact CB-CD2 4.31Å; I734-L737 HydrophobicContact CD1-CD2 4.03Å; I734-L737 HydrophobicContact CG2-CB 3.53Å; I734-L737 HydrophobicContact CG2-CD2 4.32Å; I734-L737 WeakPolarHBondContact O-CB 3.4Å; I734-L737 PolarHBondContact O-N 3.34Å; I734-P751 HydrophobicContact CD1-CB 3.46Å; I734-P751 VanDerWaalsContact CD1-CB 3.46Å; I734-P751 HydrophobicContact CD1-CG 3.26Å
735	P	92	Very high	93	Very high	90 Å²	90	46.4 Å²	46.4	58%	0.584	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.3	-168	-29.2	36.2	0	0	0	117.9	D731	D731-P735 WeakPolarHBondContact O-CA 3.08Å
736	R	92.6	Very high	93.3	Very high	169 Å²	169	42.8 Å²	42.8	64%	0.638	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	1.1	-179.4	-67.7	-175.7	179.9	-179.9	1.3	113.5	I734 H764	I734-R736 PolarHBondContact O-N 3.22Å; R736-H764 WeakPolarHBondContact CB-CD2 3.23Å
737	L	94.5	Very high	93.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.021	17%	0.172	C	C	.	.			trans	-94.2	113.5	177.4	-179.9	67	0	0	0	109.1	L730 I734 P751 H764 G765 L766	L730-L737 HydrophobicContact CD1-CD2 3.82Å; L730-L737 HydrophobicContact CD2-CD2 3.91Å; L730-L737 HydrophobicContact CD2-CG 4.26Å; L730-L737 HydrophobicContact CG-CD2 4Å; I734-L737 HydrophobicContact CB-CB 3.91Å; I734-L737 HydrophobicContact CB-CD2 4.31Å; I734-L737 HydrophobicContact CD1-CD2 4.03Å; I734-L737 HydrophobicContact CG2-CB 3.53Å; I734-L737 HydrophobicContact CG2-CD2 4.32Å; I734-L737 WeakPolarHBondContact O-CB 3.4Å; I734-L737 PolarHBondContact O-N 3.34Å; L737-P751 HydrophobicContact CD2-CB 3.75Å; L737-P751 HydrophobicContact CD2-CG 3.52Å; L737-H764 HydrophobicContact CB-CB 4.43Å; L737-H764 HydrophobicContact CD1-CB 4.27Å; L737-G765 WeakPolarHBondContact CD1-O 3.18Å; L737-L766 HydrophobicContact CD1-CB 4.24Å
738	N	93.4	Very high	93.7	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	17%	0.165	S	C	.	.			trans	-134.7	72.6	-176.6	179.2	11.6	0	0	0	111.6	V715 S805 S806	V715-N738 WeakPolarHBondContact CG1-OD1 3.03Å; N738-S805 WeakPolarHBondContact O-CA 3.39Å; N738-S805 WeakPolarHBondContact O-CB 3.33Å; N738-S805 PolarHBondContact O-OG 2.94Å; N738-S806 PolarHBondContact N-OG 3.06Å; N738-S806 PolarHBondContact O-N 3.16Å
739	P	94.4	Very high	93.9	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.032	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-79.6	139.5	179.6	33.2	-35.1	0	0	0	111.2	L730 L741 L766 V808	L730-P739 HydrophobicContact CD2-CG 3.74Å; P739-L741 HydrophobicContact CB-CG 4.32Å; P739-L741 PolarHBondContact O-N 3.32Å; P739-L766 HydrophobicContact CB-CD2 4.13Å; P739-L766 HydrophobicContact CG-CD2 4.07Å; P739-V808 HydrophobicContact CB-CG2 3.58Å
740	R	92.4	Very high	94	Very high	33 Å²	33	28.5 Å²	28.5	13%	0.125	14%	0.138	C	C	.	.			trans	-90.2	65.8	175.7	-65.4	-179	75.5	-146.5	11.8	111.1	E311 K319 E320 F322 I798 S805	E311-R740 IonicContact OE2-NH2 2.73Å; E311-R740 PolarHBondContact OE2-NH2 2.69Å; K319-R740 PolarHBondContact O-NH2 2.94Å; E320-R740 HydrophobicContact CB-CB 4.24Å; E320-R740 WeakPolarHBondContact CB-O 3.35Å; E320-R740 HydrophobicContact CG-CB 3.97Å; E320-R740 WeakPolarHBondContact CG-O 3.04Å; E320-R740 PolarHBondContact O-NH1 3.35Å; F322-R740 PolarHBondContact O-NH1 3.07Å; F322-R740 VanDerWaalsContact O-NH1 3.1Å; F322-R740 PolarHBondContact O-NH2 3.39Å; R740-I798 WeakPolarHBondContact O-CD1 3.12Å; R740-S805 WeakPolarHBondContact CG-OG 3.36Å
741	L	94.3	Very high	94.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-76.7	133.5	178.1	-69.6	173.6	0	0	0	110.8	I708 S710 P739 T745 I747 L766 M794 I798 V808	I708-L741 HydrophobicContact CG2-CD1 3.79Å; S710-L741 WeakPolarHBondContact CB-O 3.44Å; S710-L741 PolarHBondContact OG-O 3.22Å; P739-L741 HydrophobicContact CB-CG 4.32Å; P739-L741 PolarHBondContact O-N 3.32Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; L741-I747 HydrophobicContact CD1-CD1 3.9Å; L741-I747 HydrophobicContact CD1-CG1 4.39Å; L741-I747 HydrophobicContact CD2-CD1 4.25Å; L741-L766 HydrophobicContact CD1-CD2 4.24Å; L741-M794 HydrophobicContact CD2-CE 3.86Å; L741-M794 HydrophobicContact CD2-SD 4.48Å; L741-I798 HydrophobicContact CD2-CD1 4.2Å; L741-V808 HydrophobicContact CD2-CG1 4.19Å; L741-V808 HydrophobicContact CD2-CG2 4.14Å
742	P	93.7	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-58.6	152.5	177.7	-20.3	30.1	0	0	0	112.5	L294 S710 T745 Y775 M794 I798	L294-P742 HydrophobicContact CD2-CG 3.78Å; S710-P742 WeakPolarHBondContact CB-O 3.4Å; S710-P742 PolarHBondContact OG-O 2.89Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 2.8Å; P742-T745 PolarHBondContact O-OG1 2.8Å; P742-Y775 HydrophobicContact CB-CD2 3.86Å; P742-M794 HydrophobicContact CG-CG 4.27Å; P742-M794 HydrophobicContact CG-SD 4.14Å; P742-I798 HydrophobicContact CG-CG2 4.06Å
743	P	91.4	Very high	94.6	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.039	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	148	173.9	-15.3	15.8	0	0	0	111.8	E320 P630 P632 L633 S710 T745 Y775	E320-P743 VanDerWaalsContact OE2-CD 3.23Å; E320-P743 WeakPolarHBondContact OE2-CD 3.39Å; P630-P743 HydrophobicContact CB-CB 3.77Å; P630-P743 HydrophobicContact CB-CG 3.73Å; P630-P743 HydrophobicContact CG-CB 4.29Å; P630-P743 HydrophobicContact CG-CG 4.25Å; P632-P743 HydrophobicContact CG-CB 4.27Å; L633-P743 HydrophobicContact CD1-CB 4.21Å; S710-P743 CarbonylContact O-C 3.58Å; P743-T745 VanDerWaalsContact C-N 3.26Å; P743-T745 PolarHBondContact O-N 3.34Å; P743-Y775 HydrophobicContact CG-CE2 4.25Å; P743-Y775 WeakPolarHBondContact O-CA 3.44Å
744	S	91.4	Very high	94.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	31.1	175.9	-151.8	0	0	0	0	113.5	L633 I642 S710 C773 G776	L633-S744 WeakPolarHBondContact CD2-OG 3.46Å; I642-S744 WeakPolarHBondContact CD1-OG 3.4Å; I642-S744 WeakPolarHBondContact CG1-OG 3.32Å; S710-S744 PolarHBondContact O-N 3.22Å; S744-C773 PolarHBondContact O-SG 3.24Å; S744-G776 PolarHBondContact O-N 3.36Å; S744-G776 WeakPolarHBondContact OG-CA 3.44Å
745	T	94.7	Very high	94.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.9	176.7	-60	0	0	0	0	109.6	Y709 S710 L741 P742 P743 I747 C773 I774 Y775 M794	Y709-T745 CarbonylContact C-O 3.58Å; Y709-T745 WeakPolarHBondContact CA-O 3.17Å; Y709-T745 WeakPolarHBondContact CD2-O 3.1Å; S710-T745 PolarHBondContact N-O 3.46Å; L741-T745 HydrophobicContact CD2-CG2 4.45Å; P742-T745 WeakPolarHBondContact O-CB 3.29Å; P742-T745 PolarHBondContact O-N 2.8Å; P742-T745 PolarHBondContact O-OG1 2.8Å; P743-T745 VanDerWaalsContact C-N 3.26Å; P743-T745 PolarHBondContact O-N 3.34Å; T745-I747 HydrophobicContact CG2-CG2 3.96Å; T745-C773 WeakPolarHBondContact CA-O 3.35Å; T745-I774 HydrophobicContact CG2-CG1 4.47Å; T745-Y775 PolarHBondContact OG1-N 3.34Å; T745-M794 HydrophobicContact CG2-CE 4.46Å; T745-M794 HydrophobicContact CG2-SD 4.03Å
746	L	95.3	Very high	94.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.6	175.3	178.3	60.1	0	0	0	108.9	L645 L658 F707 I708 Y709 W727 V772 C773	L645-L746 HydrophobicContact CD2-CD2 4.46Å; L658-L746 HydrophobicContact CD2-CD2 4.06Å; F707-L746 HydrophobicContact CB-CD1 4.33Å; F707-L746 HydrophobicContact CD1-CD1 4.09Å; F707-L746 HydrophobicContact CD1-CG 4.47Å; I708-L746 WeakPolarHBondContact O-CA 3.46Å; Y709-L746 HydrophobicContact CD2-CB 4.17Å; W727-L746 HydrophobicContact CH2-CD1 3.97Å; L746-V772 HydrophobicContact CB-CB 4.08Å; L746-V772 HydrophobicContact CB-CG1 4.4Å; L746-V772 HydrophobicContact CD2-CB 3.97Å; L746-V772 HydrophobicContact CD2-CG1 3.81Å; L746-V772 HydrophobicContact CD2-CG2 4.18Å; L746-V772 HydrophobicContact CG-CB 3.89Å; L746-V772 HydrophobicContact CG-CG1 4.26Å; L746-V772 HydrophobicContact CG-CG2 4.16Å; L746-V772 WeakPolarHBondContact O-CB 3.47Å; L746-V772 PolarHBondContact O-N 2.95Å; L746-C773 PolarHBondContact N-O 3.45Å; L746-C773 PolarHBondContact N-SG 2.96Å; L746-C773 PolarHBondContact O-N 3.27Å; L746-C773 VanDerWaalsContact O-N 3.11Å
747	I	96.5	Very high	94.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	158.9	-177.3	56.5	165.3	0	0	0	110.7	F707 I708 L741 T745 L766 I768 V771	F707-I747 CarbonylContact C-O 3.23Å; F707-I747 VanDerWaalsContact CA-O 3.31Å; F707-I747 WeakPolarHBondContact CA-O 3.23Å; I708-I747 HydrophobicContact CB-CD1 4.44Å; I708-I747 HydrophobicContact CB-CG1 4.04Å; I708-I747 PolarHBondContact N-O 3.1Å; I708-I747 PolarHBondContact O-N 2.79Å; L741-I747 HydrophobicContact CD1-CD1 3.9Å; L741-I747 HydrophobicContact CD1-CG1 4.39Å; L741-I747 HydrophobicContact CD2-CD1 4.25Å; T745-I747 HydrophobicContact CG2-CG2 3.96Å; I747-L766 HydrophobicContact CD1-CD2 3.92Å; I747-I768 HydrophobicContact CB-CG2 4.3Å; I747-I768 HydrophobicContact CD1-CD1 4.23Å; I747-I768 HydrophobicContact CD1-CG1 3.83Å; I747-I768 HydrophobicContact CG2-CG2 4.27Å; I747-V771 HydrophobicContact CG2-CG1 4.45Å; I747-V771 HydrophobicContact CG2-CG2 4.27Å
748	W	96.4	Very high	93.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	166.1	-175.1	59.6	0	0	0	108.7	L668 P705 F707 Y769 D770 F902	L668-W748 HydrophobicContact CD1-CH2 4.49Å; P705-W748 HydrophobicContact CB-CZ2 3.77Å; F707-W748 HydrophobicContact CD1-CB 4.21Å; F707-W748 AromaticContact CD2-CD1 3.76Å; F707-W748 HydrophobicContact CE1-CB 3.92Å; F707-W748 HydrophobicContact CE1-CG 4.4Å; F707-W748 AromaticContact CE2-CD1 3.57Å; F707-W748 HydrophobicContact CE2-CG 4.2Å; F707-W748 HydrophobicContact CZ-CB 4.1Å; F707-W748 AromaticContact CZ-CD1 3.93Å; F707-W748 HydrophobicContact CZ-CG 4.11Å; W748-Y769 HydrophobicContact CE3-CD2 4.47Å; W748-Y769 HydrophobicContact CZ3-CD2 4.39Å; W748-Y769 PolarHBondContact O-N 3.35Å; W748-D770 HydrophobicContact CE3-CB 4.25Å; W748-D770 PolarHBondContact N-O 3.22Å; W748-D770 PolarHBondContact O-N 3.38Å; W748-D770 VanDerWaalsContact O-N 3.08Å; W748-F902 HydrophobicContact CE3-CD2 4.48Å; W748-F902 HydrophobicContact CE3-CE2 4.18Å; W748-F902 HydrophobicContact CE3-CZ 4.27Å; W748-F902 HydrophobicContact CH2-CB 4.34Å; W748-F902 AromaticContact CH2-CD2 3.95Å; W748-F902 HydrophobicContact CH2-CD2 3.95Å; W748-F902 HydrophobicContact CH2-CE2 4.45Å; W748-F902 HydrophobicContact CH2-CG 4.02Å; W748-F902 HydrophobicContact CZ3-CB 4.48Å; W748-F902 AromaticContact CZ3-CD1 3.91Å; W748-F902 HydrophobicContact CZ3-CD1 3.91Å; W748-F902 AromaticContact CZ3-CD2 3.5Å; W748-F902 HydrophobicContact CZ3-CD2 3.5Å; W748-F902 VanDerWaalsContact CZ3-CD2 3.5Å; W748-F902 AromaticContact CZ3-CE1 3.96Å; W748-F902 HydrophobicContact CZ3-CE1 3.96Å; W748-F902 AromaticContact CZ3-CE2 3.57Å; W748-F902 HydrophobicContact CZ3-CE2 3.57Å; W748-F902 AromaticContact CZ3-CG 3.69Å; W748-F902 HydrophobicContact CZ3-CG 3.69Å; W748-F902 AromaticContact CZ3-CZ 3.81Å; W748-F902 HydrophobicContact CZ3-CZ 3.81Å
749	G	96.3	Very high	92.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-178.8	-168.8	0	0	0	0	0	114	P705 M706 F767	P705-G749 CarbonylContact C-O 3.44Å; P705-G749 WeakPolarHBondContact CA-O 3.43Å; M706-G749 PolarHBondContact N-O 3.11Å; M706-G749 PolarHBondContact O-N 2.86Å; G749-F767 CarbonylContact C-O 3.56Å; G749-F767 WeakPolarHBondContact CA-O 3.37Å
750	Q	96.6	Very high	92	Very high	14 Å²	14	21.4 Å²	21.4	7%	0.065	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.5	-180	-167.1	179.7	42.5	0	0	111.9	A703 F767 Y769	A703-Q750 PolarHBondContact O-NE2 2.93Å; Q750-F767 PolarHBondContact N-O 3.31Å; Q750-F767 PolarHBondContact O-N 3.26Å; Q750-Y769 HydrophobicContact CB-CE2 3.59Å; Q750-Y769 WeakPolarHBondContact CB-OH 3.42Å; Q750-Y769 PolarHBondContact OE1-OH 2.8Å
751	P	97.8	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	130.5	165.4	-31.2	41.9	0	0	0	112.4	P694 S695 A703 M706 I734 L737 G765 L766	P694-P751 WeakPolarHBondContact CA-O 3.5Å; S695-P751 PolarHBondContact N-O 3.15Å; A703-P751 HydrophobicContact CB-CB 4.01Å; A703-P751 HydrophobicContact CB-CG 4.27Å; M706-P751 HydrophobicContact CE-CG 4.2Å; M706-P751 HydrophobicContact SD-CG 4.01Å; I734-P751 HydrophobicContact CD1-CB 3.46Å; I734-P751 VanDerWaalsContact CD1-CB 3.46Å; I734-P751 HydrophobicContact CD1-CG 3.26Å; L737-P751 HydrophobicContact CD2-CB 3.75Å; L737-P751 HydrophobicContact CD2-CG 3.52Å; P751-G765 WeakPolarHBondContact CA-O 3.45Å; P751-L766 HydrophobicContact CG-CD1 4.35Å
752	F	97.3	Very high	91.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167.6	-174.7	80.8	-77.4	0	0	0	112.6	N693 S695 E754 G765 F767 R809 F849	N693-F752 CarbonylContact O-C 3.53Å; N693-F752 WeakPolarHBondContact O-CA 3.41Å; N693-F752 WeakPolarHBondContact O-CB 3.33Å; S695-F752 PolarHBondContact OG-N 3.31Å; S695-F752 PolarHBondContact OG-O 3.44Å; F752-E754 HydrophobicContact CE2-CB 3.8Å; F752-E754 HydrophobicContact CZ-CB 4.22Å; F752-G765 VanDerWaalsContact CD1-C 3.43Å; F752-G765 WeakPolarHBondContact CD1-O 3.43Å; F752-G765 VanDerWaalsContact CE1-C 3.43Å; F752-G765 PolarHBondContact N-O 2.69Å; F752-G765 PolarHBondContact O-N 3.27Å; F752-F767 HydrophobicContact CB-CD2 3.93Å; F752-F767 HydrophobicContact CB-CE2 4.17Å; F752-F767 HydrophobicContact CD1-CB 4.23Å; F752-F767 HydrophobicContact CD1-CD1 4.36Å; F752-F767 AromaticContact CD1-CD2 3.32Å; F752-F767 HydrophobicContact CD1-CD2 3.32Å; F752-F767 AromaticContact CD1-CE2 3.66Å; F752-F767 HydrophobicContact CD1-CE2 3.66Å; F752-F767 AromaticContact CD1-CG 3.71Å; F752-F767 HydrophobicContact CD1-CG 3.71Å; F752-F767 HydrophobicContact CD1-CZ 4.31Å; F752-F767 AromaticContact CD2-CD2 3.91Å; F752-F767 HydrophobicContact CD2-CD2 3.91Å; F752-F767 AromaticContact CD2-CE2 3.39Å; F752-F767 HydrophobicContact CD2-CE2 3.39Å; F752-F767 AromaticContact CD2-CZ 3.99Å; F752-F767 HydrophobicContact CD2-CZ 3.99Å; F752-F767 AromaticContact CE1-CD1 4Å; F752-F767 HydrophobicContact CE1-CD1 4Å; F752-F767 AromaticContact CE1-CD2 3.75Å; F752-F767 HydrophobicContact CE1-CD2 3.75Å; F752-F767 HydrophobicContact CE1-CE1 4.08Å; F752-F767 AromaticContact CE1-CE2 3.84Å; F752-F767 HydrophobicContact CE1-CE2 3.84Å; F752-F767 AromaticContact CE1-CG 3.82Å; F752-F767 HydrophobicContact CE1-CG 3.82Å; F752-F767 HydrophobicContact CE1-CZ 4.01Å; F752-F767 HydrophobicContact CE2-CD2 4.29Å; F752-F767 HydrophobicContact CE2-CE1 4.43Å; F752-F767 AromaticContact CE2-CE2 3.59Å; F752-F767 HydrophobicContact CE2-CE2 3.59Å; F752-F767 AromaticContact CE2-CZ 3.67Å; F752-F767 HydrophobicContact CE2-CZ 3.67Å; F752-F767 AromaticContact CG-CD2 3.43Å; F752-F767 HydrophobicContact CG-CD2 3.43Å; F752-F767 VanDerWaalsContact CG-CD2 3.43Å; F752-F767 AromaticContact CG-CE2 3.45Å; F752-F767 HydrophobicContact CG-CE2 3.45Å; F752-F767 VanDerWaalsContact CG-CE2 3.45Å; F752-F767 HydrophobicContact CG-CG 4.28Å; F752-F767 HydrophobicContact CG-CZ 4.31Å; F752-F767 HydrophobicContact CZ-CD1 4.39Å; F752-F767 HydrophobicContact CZ-CD2 4.23Å; F752-F767 HydrophobicContact CZ-CE1 4.01Å; F752-F767 AromaticContact CZ-CE2 3.83Å; F752-F767 HydrophobicContact CZ-CE2 3.83Å; F752-F767 HydrophobicContact CZ-CG 4.49Å; F752-F767 AromaticContact CZ-CZ 3.71Å; F752-F767 HydrophobicContact CZ-CZ 3.71Å; F752-R809 HydrophobicContact CZ-CG 4.37Å; F752-F849 HydrophobicContact CD2-CB 4.2Å; F752-F849 HydrophobicContact CE2-CB 3.87Å; F752-F849 HydrophobicContact CE2-CG 4.27Å
753	Y	96.1	Very high	91.5	Very high	19 Å²	19	30.6 Å²	30.6	8%	0.075	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.1	173.4	-69.5	-56.7	0	0	0	112.2	N693 P694 I696 R762 H764	N693-Y753 PolarHBondContact O-N 3.04Å; P694-Y753 WeakPolarHBondContact O-CD2 3.25Å; P694-Y753 WeakPolarHBondContact O-CE2 3.28Å; I696-Y753 HydrophobicContact CG1-CE2 4.3Å; I696-Y753 WeakPolarHBondContact CG1-OH 3.43Å; I696-Y753 PolarHBondContact N-OH 2.92Å; I696-Y753 VanDerWaalsContact N-OH 3.11Å; Y753-R762 VanDerWaalsContact CD1-CD 3.48Å; Y753-R762 HydrophobicContact CD1-CG 3.61Å; Y753-R762 HydrophobicContact CE1-CG 4.25Å; Y753-R762 HydrophobicContact CG-CG 4.09Å; Y753-H764 AromaticContact CE1-CE1 3.41Å; Y753-H764 VanDerWaalsContact CE1-CE1 3.41Å; Y753-H764 WeakPolarHBondContact CE1-CE1 3.41Å; Y753-H764 AromaticContact CE1-ND1 3.79Å; Y753-H764 AromaticContact CE1-NE2 3.63Å
754	E	95.3	Very high	91.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.3	167	66.8	-178.9	170.5	0	0	110.6	F752 R762 K763 N807 R809 F847 T848	F752-E754 HydrophobicContact CE2-CB 3.8Å; F752-E754 HydrophobicContact CZ-CB 4.22Å; E754-R762 CarbonylContact O-C 3.59Å; E754-R762 WeakPolarHBondContact O-CA 3.45Å; E754-K763 HydrophobicContact CG-CB 3.97Å; E754-K763 PolarHBondContact N-O 2.94Å; E754-K763 PolarHBondContact O-N 3.47Å; E754-N807 PolarHBondContact OE1-ND2 2.9Å; E754-R809 IonicContact OE2-CZ 3.59Å; E754-R809 IonicContact OE2-NE 3.75Å; E754-R809 PolarHBondContact OE2-NE 2.84Å; E754-R809 IonicContact OE2-NH2 2.65Å; E754-R809 PolarHBondContact OE2-NH2 3.19Å; E754-F847 HydrophobicContact CB-CD1 4.47Å; E754-F847 HydrophobicContact CG-CD1 3.98Å; E754-F847 HydrophobicContact CG-CE1 4.49Å; E754-T848 CarbonylContact C-O 3.54Å; E754-T848 VanDerWaalsContact CA-O 3.29Å; E754-T848 WeakPolarHBondContact CA-O 3.5Å
755	Y	94	Very high	92	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.4	-176.5	-50.1	-92.1	0	0	0	109.4	V757 L761 R762 C831 D833 M840 F847 T848	Y755-V757 PolarHBondContact O-N 3.06Å; Y755-L761 WeakPolarHBondContact CA-O 3.3Å; Y755-R762 HydrophobicContact CD1-CB 3.86Å; Y755-R762 HydrophobicContact CD1-CG 4.1Å; Y755-R762 HydrophobicContact CE1-CB 3.79Å; Y755-R762 HydrophobicContact CE1-CG 3.65Å; Y755-C831 HydrophobicContact CD1-CB 4.13Å; Y755-C831 HydrophobicContact CE1-CB 4.12Å; Y755-C831 HydrophobicContact CG-CB 4.34Å; Y755-D833 VanDerWaalsContact CE1-OD2 3.28Å; Y755-D833 WeakPolarHBondContact CE1-OD2 3.26Å; Y755-D833 VanDerWaalsContact CZ-OD2 3.31Å; Y755-D833 PolarHBondContact OH-OD2 3.29Å; Y755-M840 HydrophobicContact CD2-CE 3.99Å; Y755-M840 HydrophobicContact CE2-CE 4.03Å; Y755-F847 CarbonylContact O-C 3.46Å; Y755-F847 WeakPolarHBondContact O-CA 3.47Å; Y755-T848 PolarHBondContact N-O 2.95Å; Y755-T848 PolarHBondContact O-N 2.86Å; Y755-T848 PolarHBondContact O-OG1 2.98Å; Y755-T848 VanDerWaalsContact O-OG1 3.06Å
756	A	88.8	Confident	92.1	Very high	16 Å²	16	31.3 Å²	31.3	13%	0.132	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.6	172.2	0	0	0	0	0	109.6	K758 N759 G760 L761 F847	A756-K758 PolarHBondContact O-N 3.17Å; A756-N759 WeakPolarHBondContact CB-OD1 3.41Å; A756-N759 PolarHBondContact O-N 2.88Å; A756-G760 VanDerWaalsContact O-CA 3.28Å; A756-G760 WeakPolarHBondContact O-CA 3.36Å; A756-G760 PolarHBondContact O-N 3.43Å; A756-L761 PolarHBondContact N-O 3.3Å; A756-L761 VanDerWaalsContact N-O 3.1Å; A756-F847 HydrophobicContact CB-CD1 4.32Å; A756-F847 HydrophobicContact CB-CE1 3.99Å
757	V	85.6	Confident	92.2	Very high	80 Å²	80	31.3 Å²	31.3	49%	0.485	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.5	-178.4	172.7	0	0	0	0	111.4	Y755 N759 G846 T848	Y755-V757 PolarHBondContact O-N 3.06Å; V757-N759 PolarHBondContact O-N 2.89Å; V757-G846 WeakPolarHBondContact CB-O 3.45Å; V757-G846 VanDerWaalsContact CG2-O 3.25Å; V757-G846 WeakPolarHBondContact CG2-O 3.42Å; V757-G846 PolarHBondContact N-O 3.22Å; V757-T848 HydrophobicContact CG2-CG2 3.45Å; V757-T848 VanDerWaalsContact CG2-CG2 3.45Å
758	K	77.1	Confident	92.3	Very high	151 Å²	151	31.3 Å²	31.3	66%	0.657	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.8	-174.1	-63.5	-176.5	177.7	178.7	0	113.9	D506 A756	D506-K758 IonicContact OD1-NZ 2.66Å; D506-K758 PolarHBondContact OD1-NZ 3.36Å; A756-K758 PolarHBondContact O-N 3.17Å
759	N	81.2	Confident	92.3	Very high	105 Å²	105	31.3 Å²	31.3	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.2	3.6	-171.3	62.8	13.9	0	0	0	114.3	A756 V757 L761	A756-N759 WeakPolarHBondContact CB-OD1 3.41Å; A756-N759 PolarHBondContact O-N 2.88Å; V757-N759 PolarHBondContact O-N 2.89Å; N759-L761 PolarHBondContact O-N 2.81Å; N759-L761 VanDerWaalsContact O-N 3.14Å; N759-L761 WeakPolarHBondContact OD1-CB 3.44Å; N759-L761 PolarHBondContact OD1-N 3.08Å
760	G	80.8	Confident	92.3	Very high	21 Å²	21	31.3 Å²	31.3	22%	0.216	16%	0.158	C	C	.	.			trans	65.4	10.9	-177.9	0	0	0	0	0	114.4	A756 R762	A756-G760 VanDerWaalsContact O-CA 3.28Å; A756-G760 WeakPolarHBondContact O-CA 3.36Å; A756-G760 PolarHBondContact O-N 3.43Å; G760-R762 PolarHBondContact O-N 2.78Å
761	L	85	Confident	92.3	Very high	86 Å²	86	30.7 Å²	30.7	45%	0.45	16%	0.155	S	C	.	.			trans	-67	120	-177.2	-172.9	72.6	0	0	0	109.9	Y755 A756 N759	Y755-L761 WeakPolarHBondContact CA-O 3.3Å; A756-L761 PolarHBondContact N-O 3.3Å; A756-L761 VanDerWaalsContact N-O 3.1Å; N759-L761 PolarHBondContact O-N 2.81Å; N759-L761 VanDerWaalsContact O-N 3.14Å; N759-L761 WeakPolarHBondContact OD1-CB 3.44Å; N759-L761 PolarHBondContact OD1-N 3.08Å
762	R	92	Very high	92.2	Very high	74 Å²	74	30.7 Å²	30.7	28%	0.279	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.8	175.5	-170	178.1	78.3	-171.4	10	111.5	Y753 E754 Y755 G760 K832 D833	Y753-R762 VanDerWaalsContact CD1-CD 3.48Å; Y753-R762 HydrophobicContact CD1-CG 3.61Å; Y753-R762 HydrophobicContact CE1-CG 4.25Å; Y753-R762 HydrophobicContact CG-CG 4.09Å; E754-R762 CarbonylContact O-C 3.59Å; E754-R762 WeakPolarHBondContact O-CA 3.45Å; Y755-R762 HydrophobicContact CD1-CB 3.86Å; Y755-R762 HydrophobicContact CD1-CG 4.1Å; Y755-R762 HydrophobicContact CE1-CB 3.79Å; Y755-R762 HydrophobicContact CE1-CG 3.65Å; G760-R762 PolarHBondContact O-N 2.78Å; R762-K832 HydrophobicContact CB-CD 4.35Å; R762-D833 WeakPolarHBondContact CD-OD2 3.28Å; R762-D833 IonicContact CZ-OD1 2.73Å; R762-D833 IonicContact NH1-OD1 2.89Å; R762-D833 PolarHBondContact NH1-OD1 3.15Å; R762-D833 IonicContact NH1-OD2 2.72Å
763	K	92.8	Very high	92	Very high	69 Å²	69	30.7 Å²	30.7	30%	0.3	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	160.3	170.3	-69.8	-166.1	178.2	-173.2	0	110.7	E754 F847	E754-K763 HydrophobicContact CG-CB 3.97Å; E754-K763 PolarHBondContact N-O 2.94Å; E754-K763 PolarHBondContact O-N 3.47Å; K763-F847 HydrophobicContact CD-CE1 4.03Å; K763-F847 HydrophobicContact CD-CZ 4.41Å
764	H	95.3	Very high	91.9	Very high	21 Å²	21	30.3 Å²	30.3	10%	0.097	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127.2	170.4	-69.5	-103.2	0	0	0	108.9	S695 R736 L737 Y753 S806	S695-H764 PolarHBondContact OG-ND1 2.95Å; R736-H764 WeakPolarHBondContact CB-CD2 3.23Å; L737-H764 HydrophobicContact CB-CB 4.43Å; L737-H764 HydrophobicContact CD1-CB 4.27Å; Y753-H764 AromaticContact CE1-CE1 3.41Å; Y753-H764 VanDerWaalsContact CE1-CE1 3.41Å; Y753-H764 WeakPolarHBondContact CE1-CE1 3.41Å; Y753-H764 AromaticContact CE1-ND1 3.79Å; Y753-H764 AromaticContact CE1-NE2 3.63Å; H764-S806 WeakPolarHBondContact O-CB 3.38Å; H764-S806 PolarHBondContact O-OG 3.03Å
765	G	96.3	Very high	91.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	172.3	170.7	0	0	0	0	0	111.3	L737 P751 F752 N807	L737-G765 WeakPolarHBondContact CD1-O 3.18Å; P751-G765 WeakPolarHBondContact CA-O 3.45Å; F752-G765 VanDerWaalsContact CD1-C 3.43Å; F752-G765 WeakPolarHBondContact CD1-O 3.43Å; F752-G765 VanDerWaalsContact CE1-C 3.43Å; F752-G765 PolarHBondContact N-O 2.69Å; F752-G765 PolarHBondContact O-N 3.27Å; G765-N807 WeakPolarHBondContact CA-O 3.41Å
766	L	97.9	Very high	91.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.4	174.8	174.2	58.4	0	0	0	110.5	I708 L737 P739 L741 I747 P751 N807 V808 R809	I708-L766 HydrophobicContact CD1-CD1 3.39Å; I708-L766 HydrophobicContact CD1-CD2 3.66Å; I708-L766 HydrophobicContact CD1-CG 4.18Å; L737-L766 HydrophobicContact CD1-CB 4.24Å; P739-L766 HydrophobicContact CB-CD2 4.13Å; P739-L766 HydrophobicContact CG-CD2 4.07Å; L741-L766 HydrophobicContact CD1-CD2 4.24Å; I747-L766 HydrophobicContact CD1-CD2 3.92Å; P751-L766 HydrophobicContact CG-CD1 4.35Å; L766-N807 PolarHBondContact N-O 3.32Å; L766-V808 HydrophobicContact CD2-CG1 4.48Å; L766-V808 HydrophobicContact CG-CG1 4.5Å; L766-V808 CarbonylContact O-C 3.54Å; L766-V808 WeakPolarHBondContact O-CA 3.5Å; L766-R809 PolarHBondContact O-N 3.42Å
767	F	98	Very high	91.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.2	167.7	-83.1	-50.9	0	0	0	111.5	G749 Q750 F752 Y769 R809 P811 F849	G749-F767 CarbonylContact C-O 3.56Å; G749-F767 WeakPolarHBondContact CA-O 3.37Å; Q750-F767 PolarHBondContact N-O 3.31Å; Q750-F767 PolarHBondContact O-N 3.26Å; F752-F767 HydrophobicContact CB-CD2 3.93Å; F752-F767 HydrophobicContact CB-CE2 4.17Å; F752-F767 HydrophobicContact CD1-CB 4.23Å; F752-F767 HydrophobicContact CD1-CD1 4.36Å; F752-F767 AromaticContact CD1-CD2 3.32Å; F752-F767 HydrophobicContact CD1-CD2 3.32Å; F752-F767 AromaticContact CD1-CE2 3.66Å; F752-F767 HydrophobicContact CD1-CE2 3.66Å; F752-F767 AromaticContact CD1-CG 3.71Å; F752-F767 HydrophobicContact CD1-CG 3.71Å; F752-F767 HydrophobicContact CD1-CZ 4.31Å; F752-F767 AromaticContact CD2-CD2 3.91Å; F752-F767 HydrophobicContact CD2-CD2 3.91Å; F752-F767 AromaticContact CD2-CE2 3.39Å; F752-F767 HydrophobicContact CD2-CE2 3.39Å; F752-F767 AromaticContact CD2-CZ 3.99Å; F752-F767 HydrophobicContact CD2-CZ 3.99Å; F752-F767 AromaticContact CE1-CD1 4Å; F752-F767 HydrophobicContact CE1-CD1 4Å; F752-F767 AromaticContact CE1-CD2 3.75Å; F752-F767 HydrophobicContact CE1-CD2 3.75Å; F752-F767 HydrophobicContact CE1-CE1 4.08Å; F752-F767 AromaticContact CE1-CE2 3.84Å; F752-F767 HydrophobicContact CE1-CE2 3.84Å; F752-F767 AromaticContact CE1-CG 3.82Å; F752-F767 HydrophobicContact CE1-CG 3.82Å; F752-F767 HydrophobicContact CE1-CZ 4.01Å; F752-F767 HydrophobicContact CE2-CD2 4.29Å; F752-F767 HydrophobicContact CE2-CE1 4.43Å; F752-F767 AromaticContact CE2-CE2 3.59Å; F752-F767 HydrophobicContact CE2-CE2 3.59Å; F752-F767 AromaticContact CE2-CZ 3.67Å; F752-F767 HydrophobicContact CE2-CZ 3.67Å; F752-F767 AromaticContact CG-CD2 3.43Å; F752-F767 HydrophobicContact CG-CD2 3.43Å; F752-F767 VanDerWaalsContact CG-CD2 3.43Å; F752-F767 AromaticContact CG-CE2 3.45Å; F752-F767 HydrophobicContact CG-CE2 3.45Å; F752-F767 VanDerWaalsContact CG-CE2 3.45Å; F752-F767 HydrophobicContact CG-CG 4.28Å; F752-F767 HydrophobicContact CG-CZ 4.31Å; F752-F767 HydrophobicContact CZ-CD1 4.39Å; F752-F767 HydrophobicContact CZ-CD2 4.23Å; F752-F767 HydrophobicContact CZ-CE1 4.01Å; F752-F767 AromaticContact CZ-CE2 3.83Å; F752-F767 HydrophobicContact CZ-CE2 3.83Å; F752-F767 HydrophobicContact CZ-CG 4.49Å; F752-F767 AromaticContact CZ-CZ 3.71Å; F752-F767 HydrophobicContact CZ-CZ 3.71Å; F767-Y769 HydrophobicContact CB-CD1 4.27Å; F767-Y769 HydrophobicContact CB-CE1 3.72Å; F767-Y769 HydrophobicContact CG-CE1 4.4Å; F767-R809 CarbonylContact C-O 3.53Å; F767-R809 VanDerWaalsContact CA-O 3.28Å; F767-R809 WeakPolarHBondContact CA-O 3.44Å; F767-R809 HydrophobicContact CD1-CB 3.76Å; F767-R809 HydrophobicContact CE1-CB 3.71Å; F767-P811 HydrophobicContact CB-CG 4.05Å; F767-P811 HydrophobicContact CD1-CB 4.11Å; F767-P811 HydrophobicContact CD1-CG 3.64Å; F767-P811 HydrophobicContact CE1-CB 4.19Å; F767-P811 HydrophobicContact CE1-CG 4.23Å; F767-P811 HydrophobicContact CG-CG 3.86Å; F767-F849 HydrophobicContact CE2-CD2 4.4Å; F767-F849 HydrophobicContact CE2-CE2 4.38Å; F767-F849 HydrophobicContact CZ-CD1 4.01Å; F767-F849 HydrophobicContact CZ-CD2 4.31Å; F767-F849 AromaticContact CZ-CE1 3.83Å; F767-F849 HydrophobicContact CZ-CE1 3.83Å; F767-F849 HydrophobicContact CZ-CE2 4.16Å; F767-F849 HydrophobicContact CZ-CG 4.24Å; F767-F849 AromaticContact CZ-CZ 3.91Å; F767-F849 HydrophobicContact CZ-CZ 3.91Å
768	I	98	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.6	168.3	-54.8	179.9	0	0	0	108.4	I747 V771 M788 A791 M794 T795 V808 R809 P811	I747-I768 HydrophobicContact CB-CG2 4.3Å; I747-I768 HydrophobicContact CD1-CD1 4.23Å; I747-I768 HydrophobicContact CD1-CG1 3.83Å; I747-I768 HydrophobicContact CG2-CG2 4.27Å; I768-V771 HydrophobicContact CG2-CG2 3.85Å; I768-M788 HydrophobicContact CG2-CE 4.36Å; I768-M788 VanDerWaalsContact O-CE 3.3Å; I768-M788 WeakPolarHBondContact O-CE 3.35Å; I768-A791 HydrophobicContact CD1-CB 4.1Å; I768-A791 HydrophobicContact CG2-CB 4.06Å; I768-M794 HydrophobicContact CD1-CE 3.48Å; I768-M794 VanDerWaalsContact CD1-CE 3.48Å; I768-T795 HydrophobicContact CD1-CG2 4.14Å; I768-V808 HydrophobicContact CD1-CG1 3.58Å; I768-V808 HydrophobicContact CG1-CG1 3.73Å; I768-R809 PolarHBondContact N-O 2.86Å; I768-P811 WeakPolarHBondContact O-CD 3.43Å
769	Y	96.6	Very high	92.7	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-31.9	175.8	-63.5	-22.3	0	0	0	112.9	L689 C691 P705 W748 Q750 F767 Y784 M788 P811 L855	L689-Y769 HydrophobicContact CD1-CD1 4.31Å; C691-Y769 WeakPolarHBondContact CB-OH 3.23Å; C691-Y769 PolarHBondContact SG-OH 3.18Å; P705-Y769 HydrophobicContact CB-CE2 4.39Å; P705-Y769 HydrophobicContact CG-CE2 4.32Å; W748-Y769 HydrophobicContact CE3-CD2 4.47Å; W748-Y769 HydrophobicContact CZ3-CD2 4.39Å; W748-Y769 PolarHBondContact O-N 3.35Å; Q750-Y769 HydrophobicContact CB-CE2 3.59Å; Q750-Y769 WeakPolarHBondContact CB-OH 3.42Å; Q750-Y769 PolarHBondContact OE1-OH 2.8Å; F767-Y769 HydrophobicContact CB-CD1 4.27Å; F767-Y769 HydrophobicContact CB-CE1 3.72Å; F767-Y769 HydrophobicContact CG-CE1 4.4Å; Y769-Y784 VanDerWaalsContact O-CE2 3.29Å; Y769-Y784 WeakPolarHBondContact O-CE2 3.25Å; Y769-Y784 PolarHBondContact O-OH 3.14Å; Y769-M788 VanDerWaalsContact O-SD 3.34Å; Y769-P811 HydrophobicContact CD1-CG 3.66Å; Y769-P811 HydrophobicContact CE1-CG 3.61Å; Y769-L855 HydrophobicContact CD1-CD1 4.19Å; Y769-L855 HydrophobicContact CD2-CD1 3.58Å; Y769-L855 HydrophobicContact CE1-CD1 4.2Å; Y769-L855 HydrophobicContact CE2-CD1 3.58Å; Y769-L855 HydrophobicContact CG-CD1 3.89Å
770	D	96.6	Very high	93.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	164.1	174.4	-154.6	-12.7	0	0	0	110.6	R667 W748 Y784 R787 F897 F902	R667-D770 IonicContact NH2-OD2 3.32Å; R667-D770 PolarHBondContact NH2-OD2 3.26Å; W748-D770 HydrophobicContact CE3-CB 4.25Å; W748-D770 PolarHBondContact N-O 3.22Å; W748-D770 PolarHBondContact O-N 3.38Å; W748-D770 VanDerWaalsContact O-N 3.08Å; D770-Y784 HydrophobicContact CB-CE2 4.24Å; D770-R787 IonicContact OD1-CZ 3.89Å; D770-R787 IonicContact OD1-NE 2.82Å; D770-R787 PolarHBondContact OD1-NE 3.16Å; D770-R787 IonicContact OD1-NH2 3.23Å; D770-R787 PolarHBondContact OD1-NH2 3.19Å; D770-R787 IonicContact OD2-CZ 2.9Å; D770-R787 IonicContact OD2-NE 3.28Å; D770-R787 IonicContact OD2-NH2 3.26Å; D770-R787 PolarHBondContact OD2-NH2 2.74Å; D770-F897 HydrophobicContact CB-CD2 4.2Å; D770-F897 HydrophobicContact CB-CE2 3.76Å; D770-F897 VanDerWaalsContact CG-CD2 3.45Å; D770-F897 WeakPolarHBondContact OD2-CD2 3.45Å; D770-F902 HydrophobicContact CB-CZ 4.09Å
771	V	96.1	Very high	93.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.5	-172.1	-179.7	0	0	0	0	111.1	I747 I768 I774 C779 R787 A791 F897	I747-V771 HydrophobicContact CG2-CG1 4.45Å; I747-V771 HydrophobicContact CG2-CG2 4.27Å; I768-V771 HydrophobicContact CG2-CG2 3.85Å; V771-I774 HydrophobicContact CG1-CD1 3.72Å; V771-I774 HydrophobicContact CG1-CG1 3.58Å; V771-I774 HydrophobicContact CG2-CD1 4.33Å; V771-C779 HydrophobicContact CB-CB 4.5Å; V771-C779 HydrophobicContact CG1-CB 3.96Å; V771-R787 HydrophobicContact CB-CB 4.38Å; V771-A791 HydrophobicContact CG2-CB 3.7Å; V771-F897 WeakPolarHBondContact O-CD2 3.33Å
772	V	94.9	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-52.4	168.8	172.7	0	0	0	0	110.2	I641 Y662 F707 L746 C779 R780 F897	I641-V772 HydrophobicContact CG1-CG1 3.96Å; Y662-V772 HydrophobicContact CE2-CG1 4.38Å; Y662-V772 HydrophobicContact CE2-CG2 4.15Å; F707-V772 HydrophobicContact CE1-CG2 4.21Å; L746-V772 HydrophobicContact CB-CB 4.08Å; L746-V772 HydrophobicContact CB-CG1 4.4Å; L746-V772 HydrophobicContact CD2-CB 3.97Å; L746-V772 HydrophobicContact CD2-CG1 3.81Å; L746-V772 HydrophobicContact CD2-CG2 4.18Å; L746-V772 HydrophobicContact CG-CB 3.89Å; L746-V772 HydrophobicContact CG-CG1 4.26Å; L746-V772 HydrophobicContact CG-CG2 4.16Å; L746-V772 WeakPolarHBondContact O-CB 3.47Å; L746-V772 PolarHBondContact O-N 2.95Å; V772-C779 PolarHBondContact O-N 2.98Å; V772-R780 HydrophobicContact CB-CG 4.4Å; V772-R780 HydrophobicContact CG1-CG 3.86Å; V772-F897 HydrophobicContact CG2-CD1 4.14Å; V772-F897 HydrophobicContact CG2-CD2 4.05Å; V772-F897 HydrophobicContact CG2-CE1 3.7Å; V772-F897 HydrophobicContact CG2-CE2 3.59Å; V772-F897 HydrophobicContact CG2-CG 4.32Å; V772-F897 HydrophobicContact CG2-CZ 3.43Å; V772-F897 VanDerWaalsContact CG2-CZ 3.43Å
773	C	94.1	Very high	94.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	149.5	176.5	63.9	0	0	0	0	112.3	I641 S744 T745 L746 R777	I641-C773 HydrophobicContact CG2-CB 4.4Å; S744-C773 PolarHBondContact O-SG 3.24Å; T745-C773 WeakPolarHBondContact CA-O 3.35Å; L746-C773 PolarHBondContact N-O 3.45Å; L746-C773 PolarHBondContact N-SG 2.96Å; L746-C773 PolarHBondContact O-N 3.27Å; L746-C773 VanDerWaalsContact O-N 3.11Å; C773-R777 CarbonylContact C-O 3.56Å; C773-R777 WeakPolarHBondContact CA-O 3.42Å; C773-R777 WeakPolarHBondContact CB-O 3.39Å
774	I	93.9	Very high	94.3	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.062	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.3	174.6	-69	166.1	0	0	0	107.8	T745 V771 G776 R777 L790 M794	T745-I774 HydrophobicContact CG2-CG1 4.47Å; V771-I774 HydrophobicContact CG1-CD1 3.72Å; V771-I774 HydrophobicContact CG1-CG1 3.58Å; V771-I774 HydrophobicContact CG2-CD1 4.33Å; I774-G776 PolarHBondContact O-N 3.23Å; I774-G776 VanDerWaalsContact O-N 3.13Å; I774-R777 PolarHBondContact N-O 3.02Å; I774-R777 VanDerWaalsContact N-O 3.16Å; I774-R777 VanDerWaalsContact O-CB 3.24Å; I774-R777 WeakPolarHBondContact O-CB 3.43Å; I774-R777 PolarHBondContact O-N 3.44Å; I774-L790 HydrophobicContact CD1-CB 4.03Å; I774-M794 HydrophobicContact CB-SD 4.42Å; I774-M794 HydrophobicContact CD1-CB 4.34Å; I774-M794 HydrophobicContact CD1-SD 4.31Å; I774-M794 HydrophobicContact CG1-SD 3.97Å; I774-M794 HydrophobicContact CG2-CB 4.26Å; I774-M794 HydrophobicContact CG2-CG 4.18Å; I774-M794 HydrophobicContact CG2-SD 3.68Å
775	Y	92.3	Very high	94.1	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.7	179.6	-161.1	-116.6	0	0	0	113.6	C241 P292 A316 P318 P632 P742 P743 T745 R777	C241-Y775 HydrophobicContact CB-CD1 4.44Å; C241-Y775 HydrophobicContact CB-CE1 3.96Å; P292-Y775 HydrophobicContact CB-CD1 3.82Å; P292-Y775 HydrophobicContact CB-CE1 4.13Å; A316-Y775 PolarHBondContact O-OH 3.07Å; P318-Y775 HydrophobicContact CB-CD2 4.11Å; P318-Y775 HydrophobicContact CB-CE2 3.65Å; P318-Y775 WeakPolarHBondContact CD-OH 3.44Å; P318-Y775 HydrophobicContact CG-CE1 4.41Å; P318-Y775 HydrophobicContact CG-CE2 4.24Å; P632-Y775 HydrophobicContact CG-CD2 3.88Å; P632-Y775 HydrophobicContact CG-CE1 4.44Å; P632-Y775 HydrophobicContact CG-CE2 3.58Å; P632-Y775 HydrophobicContact CG-CG 4.43Å; P742-Y775 HydrophobicContact CB-CD2 3.86Å; P743-Y775 HydrophobicContact CG-CE2 4.25Å; P743-Y775 WeakPolarHBondContact O-CA 3.44Å; T745-Y775 PolarHBondContact OG1-N 3.34Å; Y775-R777 VanDerWaalsContact C-N 3.27Å; Y775-R777 PolarHBondContact O-N 3.21Å
776	G	89.2	Confident	93.9	Very high	6 Å²	6	28.3 Å²	28.3	6%	0.062	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-15.5	-178.6	0	0	0	0	0	115.5	S639 S744 I774 D778	S639-G776 WeakPolarHBondContact CB-O 3.27Å; S639-G776 PolarHBondContact OG-O 3.11Å; S744-G776 PolarHBondContact O-N 3.36Å; S744-G776 WeakPolarHBondContact OG-CA 3.44Å; I774-G776 PolarHBondContact O-N 3.23Å; I774-G776 VanDerWaalsContact O-N 3.13Å; G776-D778 PolarHBondContact O-N 3.36Å
777	R	90.4	Very high	93.8	Very high	57 Å²	57	28.3 Å²	28.3	22%	0.215	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123.2	176	-175.6	179.9	179.6	177.8	3.9	110.6	Q291 L293 C773 I774 Y775 C779	Q291-R777 HydrophobicContact CB-CB 4.44Å; Q291-R777 HydrophobicContact CB-CG 4.03Å; L293-R777 VanDerWaalsContact CD1-NH1 3.26Å; C773-R777 CarbonylContact C-O 3.56Å; C773-R777 WeakPolarHBondContact CA-O 3.42Å; C773-R777 WeakPolarHBondContact CB-O 3.39Å; I774-R777 PolarHBondContact N-O 3.02Å; I774-R777 VanDerWaalsContact N-O 3.16Å; I774-R777 VanDerWaalsContact O-CB 3.24Å; I774-R777 WeakPolarHBondContact O-CB 3.43Å; I774-R777 PolarHBondContact O-N 3.44Å; Y775-R777 VanDerWaalsContact C-N 3.27Å; Y775-R777 PolarHBondContact O-N 3.21Å; R777-C779 PolarHBondContact O-N 3.46Å
778	D	92.1	Very high	93.8	Very high	37 Å²	37	28.6 Å²	28.6	20%	0.198	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	116.3	177.6	-168.8	-14.6	0	0	0	109.8	G776 R780	G776-D778 PolarHBondContact O-N 3.36Å; D778-R780 WeakPolarHBondContact OD1-CB 3.45Å; D778-R780 WeakPolarHBondContact OD1-CG 3.11Å; D778-R780 IonicContact OD1-CZ 3.4Å; D778-R780 PolarHBondContact OD1-N 3.44Å; D778-R780 IonicContact OD1-NE 2.7Å; D778-R780 PolarHBondContact OD1-NE 3.4Å; D778-R780 IonicContact OD1-NH2 2.8Å; D778-R780 IonicContact OD2-CZ 3.34Å; D778-R780 IonicContact OD2-NE 3.03Å; D778-R780 PolarHBondContact OD2-NE 3.03Å; D778-R780 IonicContact OD2-NH2 2.83Å; D778-R780 PolarHBondContact OD2-NH2 2.82Å
779	C	94.2	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.146	C	C	.	.			trans	-99.7	-7.1	-177.6	-61.8	0	0	0	0	112.5	V771 V772 R777 K781 L782 R787	V771-C779 HydrophobicContact CB-CB 4.5Å; V771-C779 HydrophobicContact CG1-CB 3.96Å; V772-C779 PolarHBondContact O-N 2.98Å; R777-C779 PolarHBondContact O-N 3.46Å; C779-K781 VanDerWaalsContact C-N 3.3Å; C779-K781 PolarHBondContact O-N 2.73Å; C779-L782 HydrophobicContact CB-CD1 4.27Å; C779-L782 VanDerWaalsContact O-CB 3.31Å; C779-L782 WeakPolarHBondContact O-CB 3.34Å; C779-L782 PolarHBondContact O-N 2.83Å; C779-R787 HydrophobicContact CB-CG 4.26Å; C779-R787 WeakPolarHBondContact O-CD 3.46Å; C779-R787 WeakPolarHBondContact O-CG 3.28Å
780	R	92.9	Very high	93.5	Very high	60 Å²	60	32.6 Å²	32.6	23%	0.226	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.2	-163.5	-66.9	176.5	-67.3	157.9	6.2	114.8	Y662 V772 D778 L782 S896 F897	Y662-R780 WeakPolarHBondContact OH-CD 3.32Å; Y662-R780 PolarHBondContact OH-NH1 3.49Å; V772-R780 HydrophobicContact CB-CG 4.4Å; V772-R780 HydrophobicContact CG1-CG 3.86Å; D778-R780 WeakPolarHBondContact OD1-CB 3.45Å; D778-R780 WeakPolarHBondContact OD1-CG 3.11Å; D778-R780 IonicContact OD1-CZ 3.4Å; D778-R780 PolarHBondContact OD1-N 3.44Å; D778-R780 IonicContact OD1-NE 2.7Å; D778-R780 PolarHBondContact OD1-NE 3.4Å; D778-R780 IonicContact OD1-NH2 2.8Å; D778-R780 IonicContact OD2-CZ 3.34Å; D778-R780 IonicContact OD2-NE 3.03Å; D778-R780 PolarHBondContact OD2-NE 3.03Å; D778-R780 IonicContact OD2-NH2 2.83Å; D778-R780 PolarHBondContact OD2-NH2 2.82Å; R780-L782 VanDerWaalsContact C-N 3.32Å; R780-S896 WeakPolarHBondContact O-CA 3.4Å; R780-S896 WeakPolarHBondContact O-CB 3.28Å; R780-F897 HydrophobicContact CB-CB 3.91Å; R780-F897 HydrophobicContact CG-CB 4.01Å; R780-F897 HydrophobicContact CG-CG 4.34Å; R780-F897 PolarHBondContact O-N 3.24Å
781	K	92.4	Very high	93.5	Very high	187 Å²	187	32.6 Å²	32.6	81%	0.813	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.1	180	-62.9	-173.1	179.3	-175.4	0	113	C779	C779-K781 VanDerWaalsContact C-N 3.3Å; C779-K781 PolarHBondContact O-N 2.73Å
782	L	92.6	Very high	93.5	Very high	45 Å²	45	37.6 Å²	37.6	24%	0.236	17%	0.171	C	C	.	.	S	Bend	trans	-75.6	150.9	-179.9	-58.3	176.1	0	0	0	110.3	C779 R780 K786 R787 L790	C779-L782 HydrophobicContact CB-CD1 4.27Å; C779-L782 VanDerWaalsContact O-CB 3.31Å; C779-L782 WeakPolarHBondContact O-CB 3.34Å; C779-L782 PolarHBondContact O-N 2.83Å; R780-L782 VanDerWaalsContact C-N 3.32Å; L782-K786 HydrophobicContact CB-CB 4.36Å; L782-K786 HydrophobicContact CB-CG 4.47Å; L782-K786 HydrophobicContact CD1-CG 4.28Å; L782-R787 HydrophobicContact CB-CG 3.88Å; L782-R787 PolarHBondContact O-NH1 2.88Å; L782-L790 HydrophobicContact CD1-CD1 3.52Å
783	P	92.5	Very high	93.5	Very high	36 Å²	36	39.9 Å²	39.9	23%	0.234	18%	0.182	C	C	.	.			trans	-59.5	148.3	173.5	-22.3	35.1	0	0	0	111.2	R785 K786 R787 H894	P783-R785 VanDerWaalsContact C-N 3.29Å; P783-R785 PolarHBondContact O-N 2.95Å; P783-K786 WeakPolarHBondContact O-CA 3.4Å; P783-K786 PolarHBondContact O-N 3.19Å; P783-R787 PolarHBondContact O-N 3.48Å; P783-H894 HydrophobicContact CB-CB 4.18Å; P783-H894 HydrophobicContact CG-CB 4.05Å; P783-H894 WeakPolarHBondContact CG-ND1 3.41Å
784	Y	93.8	Very high	93.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-51	-46.2	-176.9	-179.5	-112	0	0	0	113.2	I687 L689 Y769 D770 K786 R787 M788 F813 V857 H859 T900 F902	I687-Y784 HydrophobicContact CD1-CD1 3.84Å; I687-Y784 HydrophobicContact CD1-CE1 4.2Å; L689-Y784 VanDerWaalsContact CD1-OH 3.26Å; L689-Y784 WeakPolarHBondContact CD1-OH 3.25Å; Y769-Y784 VanDerWaalsContact O-CE2 3.29Å; Y769-Y784 WeakPolarHBondContact O-CE2 3.25Å; Y769-Y784 PolarHBondContact O-OH 3.14Å; D770-Y784 HydrophobicContact CB-CE2 4.24Å; Y784-K786 VanDerWaalsContact C-N 3.29Å; Y784-K786 PolarHBondContact O-N 2.96Å; Y784-R787 WeakPolarHBondContact O-CB 2.95Å; Y784-R787 PolarHBondContact O-N 3.18Å; Y784-R787 VanDerWaalsContact O-N 3.1Å; Y784-M788 HydrophobicContact CD1-CG 4.25Å; Y784-M788 HydrophobicContact CD2-CG 4.16Å; Y784-M788 HydrophobicContact CD2-SD 4.39Å; Y784-M788 HydrophobicContact CE1-CG 3.77Å; Y784-M788 HydrophobicContact CE2-CG 3.68Å; Y784-M788 HydrophobicContact CE2-SD 3.61Å; Y784-M788 HydrophobicContact CG-CG 4.42Å; Y784-M788 VanDerWaalsContact CZ-CG 3.45Å; Y784-M788 WeakPolarHBondContact O-CG 3.22Å; Y784-M788 PolarHBondContact O-N 3.36Å; Y784-F813 HydrophobicContact CD1-CE2 4.05Å; Y784-F813 HydrophobicContact CD1-CZ 4.47Å; Y784-F813 HydrophobicContact CE1-CD2 4.42Å; Y784-F813 AromaticContact CE1-CE2 3.6Å; Y784-F813 HydrophobicContact CE1-CE2 3.6Å; Y784-F813 HydrophobicContact CE1-CZ 4.36Å; Y784-V857 HydrophobicContact CD1-CG1 3.83Å; Y784-V857 HydrophobicContact CD2-CG1 4.41Å; Y784-V857 HydrophobicContact CE1-CB 4.1Å; Y784-V857 HydrophobicContact CE1-CG1 3.67Å; Y784-V857 HydrophobicContact CE1-CG2 3.96Å; Y784-V857 HydrophobicContact CE2-CG1 4.28Å; Y784-V857 HydrophobicContact CG-CG1 4.21Å; Y784-H859 HydrophobicContact CD1-CB 4.09Å; Y784-H859 HydrophobicContact CG-CB 4.17Å; Y784-T900 HydrophobicContact CD2-CG2 3.95Å; Y784-T900 HydrophobicContact CE2-CG2 4.46Å; Y784-T900 HydrophobicContact CG-CG2 4.26Å; Y784-F902 HydrophobicContact CE2-CE1 4.17Å; Y784-F902 AromaticContact CE2-CZ 3.95Å; Y784-F902 HydrophobicContact CE2-CZ 3.95Å
785	R	91.9	Very high	93.7	Very high	79 Å²	79	39.8 Å²	39.8	30%	0.298	18%	0.182	S	C	.	.	H	α-helix	trans	-53.2	-45.2	175.8	-76.5	176.2	175.8	-80	-0.2	112	I687 P783 M788 E789 F813 E866	I687-R785 HydrophobicContact CD1-CG 4.43Å; P783-R785 VanDerWaalsContact C-N 3.29Å; P783-R785 PolarHBondContact O-N 2.95Å; R785-M788 PolarHBondContact O-N 2.79Å; R785-E789 WeakPolarHBondContact O-CB 3.49Å; R785-E789 PolarHBondContact O-N 3.26Å; R785-F813 HydrophobicContact CG-CZ 3.82Å; R785-E866 IonicContact CZ-OE1 2.95Å; R785-E866 IonicContact CZ-OE2 2.75Å; R785-E866 IonicContact NE-OE1 3.76Å; R785-E866 PolarHBondContact NE-OE1 3.34Å; R785-E866 VanDerWaalsContact NE-OE1 3.07Å; R785-E866 VanDerWaalsContact NH2-CD 3.27Å; R785-E866 IonicContact NH2-OE1 3.86Å; R785-E866 PolarHBondContact NH2-OE1 3.16Å; R785-E866 IonicContact NH2-OE2 3.83Å; R785-E866 PolarHBondContact NH2-OE2 2.92Å
786	K	92.6	Very high	93.8	Very high	73 Å²	73	43.6 Å²	43.6	32%	0.317	20%	0.202	S	C	.	.	H	α-helix	trans	-69.9	-36.6	179.3	-170	55	169.6	-176.8	0	112.3	L782 P783 Y784 M788 E789 L790	L782-K786 HydrophobicContact CB-CB 4.36Å; L782-K786 HydrophobicContact CB-CG 4.47Å; L782-K786 HydrophobicContact CD1-CG 4.28Å; P783-K786 WeakPolarHBondContact O-CA 3.4Å; P783-K786 PolarHBondContact O-N 3.19Å; Y784-K786 VanDerWaalsContact C-N 3.29Å; Y784-K786 PolarHBondContact O-N 2.96Å; K786-M788 VanDerWaalsContact C-N 3.32Å; K786-M788 PolarHBondContact O-N 2.73Å; K786-E789 HydrophobicContact CD-CB 4.46Å; K786-E789 WeakPolarHBondContact CD-OE2 3.17Å; K786-E789 IonicContact NZ-OE1 2.9Å; K786-E789 PolarHBondContact NZ-OE1 3.17Å; K786-E789 IonicContact NZ-OE2 2.65Å; K786-E789 PolarHBondContact NZ-OE2 3.03Å; K786-E789 PolarHBondContact O-N 2.99Å; K786-L790 VanDerWaalsContact O-CG 3.3Å; K786-L790 WeakPolarHBondContact O-CG 3.33Å; K786-L790 PolarHBondContact O-N 2.85Å
787	R	95.6	Very high	94.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-42.6	173.7	-60.8	-165.1	-54.6	-98.3	9.4	111.3	D770 V771 C779 L782 P783 Y784 L790 A791 L895 S896 T900	D770-R787 IonicContact OD1-CZ 3.89Å; D770-R787 IonicContact OD1-NE 2.82Å; D770-R787 PolarHBondContact OD1-NE 3.16Å; D770-R787 IonicContact OD1-NH2 3.23Å; D770-R787 PolarHBondContact OD1-NH2 3.19Å; D770-R787 IonicContact OD2-CZ 2.9Å; D770-R787 IonicContact OD2-NE 3.28Å; D770-R787 IonicContact OD2-NH2 3.26Å; D770-R787 PolarHBondContact OD2-NH2 2.74Å; V771-R787 HydrophobicContact CB-CB 4.38Å; C779-R787 HydrophobicContact CB-CG 4.26Å; C779-R787 WeakPolarHBondContact O-CD 3.46Å; C779-R787 WeakPolarHBondContact O-CG 3.28Å; L782-R787 HydrophobicContact CB-CG 3.88Å; L782-R787 PolarHBondContact O-NH1 2.88Å; P783-R787 PolarHBondContact O-N 3.48Å; Y784-R787 WeakPolarHBondContact O-CB 2.95Å; Y784-R787 PolarHBondContact O-N 3.18Å; Y784-R787 VanDerWaalsContact O-N 3.1Å; R787-L790 PolarHBondContact O-N 2.95Å; R787-A791 PolarHBondContact O-N 3.14Å; R787-L895 PolarHBondContact NH1-O 2.77Å; R787-S896 VanDerWaalsContact NH1-C 3.35Å; R787-T900 PolarHBondContact NH2-OG1 2.94Å
788	M	96.5	Very high	94.3	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-71.7	-36.6	178.3	-60.5	-43.4	-64.1	0	0	113	I768 Y769 Y784 R785 K786 L790 A791 E792 V810 F813	I768-M788 HydrophobicContact CG2-CE 4.36Å; I768-M788 VanDerWaalsContact O-CE 3.3Å; I768-M788 WeakPolarHBondContact O-CE 3.35Å; Y769-M788 VanDerWaalsContact O-SD 3.34Å; Y784-M788 HydrophobicContact CD1-CG 4.25Å; Y784-M788 HydrophobicContact CD2-CG 4.16Å; Y784-M788 HydrophobicContact CD2-SD 4.39Å; Y784-M788 HydrophobicContact CE1-CG 3.77Å; Y784-M788 HydrophobicContact CE2-CG 3.68Å; Y784-M788 HydrophobicContact CE2-SD 3.61Å; Y784-M788 HydrophobicContact CG-CG 4.42Å; Y784-M788 VanDerWaalsContact CZ-CG 3.45Å; Y784-M788 WeakPolarHBondContact O-CG 3.22Å; Y784-M788 PolarHBondContact O-N 3.36Å; R785-M788 PolarHBondContact O-N 2.79Å; K786-M788 VanDerWaalsContact C-N 3.32Å; K786-M788 PolarHBondContact O-N 2.73Å; M788-L790 VanDerWaalsContact C-N 3.35Å; M788-L790 PolarHBondContact O-N 3.25Å; M788-A791 WeakPolarHBondContact O-CB 3.47Å; M788-A791 PolarHBondContact O-N 3.34Å; M788-E792 PolarHBondContact O-N 3.38Å; M788-V810 HydrophobicContact CE-CG1 3.64Å; M788-V810 HydrophobicContact CE-CG2 4.28Å; M788-F813 HydrophobicContact CB-CE2 4.38Å; M788-F813 HydrophobicContact CG-CE2 4.21Å
789	E	94.4	Very high	94.5	Very high	77 Å²	77	40.1 Å²	40.1	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-59.4	-45.5	171.9	-171.7	-161.5	142.1	0	0	111.2	R785 K786 A791 E792 Q793	R785-E789 WeakPolarHBondContact O-CB 3.49Å; R785-E789 PolarHBondContact O-N 3.26Å; K786-E789 HydrophobicContact CD-CB 4.46Å; K786-E789 WeakPolarHBondContact CD-OE2 3.17Å; K786-E789 IonicContact NZ-OE1 2.9Å; K786-E789 PolarHBondContact NZ-OE1 3.17Å; K786-E789 IonicContact NZ-OE2 2.65Å; K786-E789 PolarHBondContact NZ-OE2 3.03Å; K786-E789 PolarHBondContact O-N 2.99Å; E789-A791 VanDerWaalsContact C-N 3.31Å; E789-A791 PolarHBondContact O-N 2.88Å; E789-E792 PolarHBondContact O-N 2.91Å; E789-Q793 WeakPolarHBondContact O-CG 3.06Å; E789-Q793 PolarHBondContact O-N 2.93Å; E789-Q793 PolarHBondContact OE1-NE2 2.9Å
790	L	95.2	Very high	94.5	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-36.1	175.3	-67.8	173.6	0	0	0	112.2	L293 I774 L782 K786 R787 M788 M794	L293-L790 HydrophobicContact CD1-CD2 4.2Å; I774-L790 HydrophobicContact CD1-CB 4.03Å; L782-L790 HydrophobicContact CD1-CD1 3.52Å; K786-L790 VanDerWaalsContact O-CG 3.3Å; K786-L790 WeakPolarHBondContact O-CG 3.33Å; K786-L790 PolarHBondContact O-N 2.85Å; R787-L790 PolarHBondContact O-N 2.95Å; M788-L790 VanDerWaalsContact C-N 3.35Å; M788-L790 PolarHBondContact O-N 3.25Å; L790-M794 WeakPolarHBondContact O-CB 3.24Å; L790-M794 PolarHBondContact O-N 2.7Å
791	A	96.6	Very high	94.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-46.9	173.2	0	0	0	0	0	111	I768 V771 R787 M788 E789 M794 T795 V810	I768-A791 HydrophobicContact CD1-CB 4.1Å; I768-A791 HydrophobicContact CG2-CB 4.06Å; V771-A791 HydrophobicContact CG2-CB 3.7Å; R787-A791 PolarHBondContact O-N 3.14Å; M788-A791 WeakPolarHBondContact O-CB 3.47Å; M788-A791 PolarHBondContact O-N 3.34Å; E789-A791 VanDerWaalsContact C-N 3.31Å; E789-A791 PolarHBondContact O-N 2.88Å; A791-M794 WeakPolarHBondContact O-CB 3.06Å; A791-M794 PolarHBondContact O-N 3.44Å; A791-T795 WeakPolarHBondContact O-CG2 3.28Å; A791-T795 PolarHBondContact O-N 3.35Å; A791-V810 HydrophobicContact CB-CG2 3.76Å
792	E	95.9	Very high	93.9	Very high	104 Å²	104	34.9 Å²	34.9	49%	0.486	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-45.5	179.2	-173.4	168.9	-145.7	0	0	111.3	M788 E789 M794 T795 N796 V810	M788-E792 PolarHBondContact O-N 3.38Å; E789-E792 PolarHBondContact O-N 2.91Å; E792-M794 VanDerWaalsContact C-N 3.33Å; E792-M794 PolarHBondContact O-N 2.96Å; E792-T795 WeakPolarHBondContact CA-OG1 3.12Å; E792-T795 PolarHBondContact O-N 3.2Å; E792-T795 VanDerWaalsContact O-N 3.07Å; E792-T795 PolarHBondContact O-OG1 3.08Å; E792-N796 PolarHBondContact O-N 2.88Å; E792-N796 PolarHBondContact O-ND2 2.99Å; E792-V810 HydrophobicContact CB-CG2 4.07Å
793	Q	94.6	Very high	93.8	Very high	49 Å²	49	33.3 Å²	33.3	23%	0.229	16%	0.164	C	C	.	.	H	α-helix	trans	-55.5	-46.4	172.8	-72.7	176.6	-1.4	0	0	111.8	E789 T795 N796 I797	E789-Q793 WeakPolarHBondContact O-CG 3.06Å; E789-Q793 PolarHBondContact O-N 2.93Å; E789-Q793 PolarHBondContact OE1-NE2 2.9Å; Q793-T795 PolarHBondContact O-N 3.44Å; Q793-N796 PolarHBondContact O-N 2.93Å; Q793-I797 WeakPolarHBondContact O-CG1 3.46Å; Q793-I797 PolarHBondContact O-N 2.82Å
794	M	96	Very high	93.6	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.1	-46	174.4	178.4	-173.2	70.3	0	0	111.3	L294 L741 P742 T745 I768 I774 L790 A791 E792 N796 I797 I798	L294-M794 HydrophobicContact CD2-CB 4.24Å; L294-M794 HydrophobicContact CD2-CG 3.75Å; L741-M794 HydrophobicContact CD2-CE 3.86Å; L741-M794 HydrophobicContact CD2-SD 4.48Å; P742-M794 HydrophobicContact CG-CG 4.27Å; P742-M794 HydrophobicContact CG-SD 4.14Å; T745-M794 HydrophobicContact CG2-CE 4.46Å; T745-M794 HydrophobicContact CG2-SD 4.03Å; I768-M794 HydrophobicContact CD1-CE 3.48Å; I768-M794 VanDerWaalsContact CD1-CE 3.48Å; I774-M794 HydrophobicContact CB-SD 4.42Å; I774-M794 HydrophobicContact CD1-CB 4.34Å; I774-M794 HydrophobicContact CD1-SD 4.31Å; I774-M794 HydrophobicContact CG1-SD 3.97Å; I774-M794 HydrophobicContact CG2-CB 4.26Å; I774-M794 HydrophobicContact CG2-CG 4.18Å; I774-M794 HydrophobicContact CG2-SD 3.68Å; L790-M794 WeakPolarHBondContact O-CB 3.24Å; L790-M794 PolarHBondContact O-N 2.7Å; A791-M794 WeakPolarHBondContact O-CB 3.06Å; A791-M794 PolarHBondContact O-N 3.44Å; E792-M794 VanDerWaalsContact C-N 3.33Å; E792-M794 PolarHBondContact O-N 2.96Å; M794-N796 VanDerWaalsContact C-N 3.33Å; M794-N796 PolarHBondContact O-N 3.11Å; M794-I797 WeakPolarHBondContact O-CB 3.48Å; M794-I797 PolarHBondContact O-N 3.17Å; M794-I797 VanDerWaalsContact O-N 3.11Å; M794-I798 HydrophobicContact CG-CD1 4.27Å; M794-I798 HydrophobicContact CG-CG2 4.41Å; M794-I798 WeakPolarHBondContact O-CG1 3.34Å; M794-I798 PolarHBondContact O-N 3.22Å
795	T	95.9	Very high	93.5	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-37.7	179.3	62.4	0	0	0	0	112.7	I768 A791 E792 Q793 I797 I798 N799 V808	I768-T795 HydrophobicContact CD1-CG2 4.14Å; A791-T795 WeakPolarHBondContact O-CG2 3.28Å; A791-T795 PolarHBondContact O-N 3.35Å; E792-T795 WeakPolarHBondContact CA-OG1 3.12Å; E792-T795 PolarHBondContact O-N 3.2Å; E792-T795 VanDerWaalsContact O-N 3.07Å; E792-T795 PolarHBondContact O-OG1 3.08Å; Q793-T795 PolarHBondContact O-N 3.44Å; T795-I797 PolarHBondContact O-N 2.8Å; T795-I798 PolarHBondContact O-N 3.38Å; T795-N799 WeakPolarHBondContact O-CB 3.48Å; T795-N799 PolarHBondContact O-N 3.48Å; T795-N799 PolarHBondContact O-ND2 2.85Å; T795-V808 WeakPolarHBondContact CB-O 3.16Å; T795-V808 HydrophobicContact CG2-CB 4.04Å; T795-V808 HydrophobicContact CG2-CG1 3.83Å; T795-V808 VanDerWaalsContact CG2-O 3.23Å; T795-V808 WeakPolarHBondContact CG2-O 3.12Å
796	N	94.6	Very high	93.6	Very high	80 Å²	80	35.6 Å²	35.6	43%	0.428	19%	0.188	S	C	.	.	H	α-helix	trans	-64.9	-27.9	176	-71.6	-24.4	0	0	0	112.4	I219 K297 E792 Q793 M794	I219-N796 HydrophobicContact CD1-CB 4.04Å; K297-N796 PolarHBondContact NZ-O 3.26Å; E792-N796 PolarHBondContact O-N 2.88Å; E792-N796 PolarHBondContact O-ND2 2.99Å; Q793-N796 PolarHBondContact O-N 2.93Å; M794-N796 VanDerWaalsContact C-N 3.33Å; M794-N796 PolarHBondContact O-N 3.11Å
797	I	95.8	Very high	93.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-79.9	-51.1	176.2	-69.5	169.9	0	0	0	111.3	I219 L294 A296 K297 A321 Q793 M794 T795 F800	I219-I797 HydrophobicContact CD1-CG1 3.88Å; I219-I797 HydrophobicContact CG1-CD1 4.31Å; I219-I797 HydrophobicContact CG1-CG1 4.06Å; I219-I797 HydrophobicContact CG2-CG1 4.21Å; L294-I797 VanDerWaalsContact C-CD1 3.49Å; L294-I797 HydrophobicContact CB-CD1 4.36Å; L294-I797 HydrophobicContact CD1-CG2 4.42Å; L294-I797 HydrophobicContact CD2-CB 4.16Å; L294-I797 HydrophobicContact CD2-CD1 4.18Å; L294-I797 HydrophobicContact CD2-CG2 3.89Å; L294-I797 HydrophobicContact CG-CB 4.48Å; L294-I797 HydrophobicContact CG-CD1 3.81Å; L294-I797 HydrophobicContact CG-CG2 4Å; L294-I797 WeakPolarHBondContact O-CD1 3.43Å; A296-I797 WeakPolarHBondContact O-CG2 3.38Å; K297-I797 WeakPolarHBondContact CE-O 3.44Å; A321-I797 HydrophobicContact CB-CG2 3.42Å; A321-I797 VanDerWaalsContact CB-CG2 3.42Å; Q793-I797 WeakPolarHBondContact O-CG1 3.46Å; Q793-I797 PolarHBondContact O-N 2.82Å; M794-I797 WeakPolarHBondContact O-CB 3.48Å; M794-I797 PolarHBondContact O-N 3.17Å; M794-I797 VanDerWaalsContact O-N 3.11Å; T795-I797 PolarHBondContact O-N 2.8Å; I797-F800 WeakPolarHBondContact O-CE2 3.5Å
798	I	95.2	Very high	93.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-82.8	-21.9	-171.5	68.9	-179.6	0	0	0	113.7	L294 E320 R740 L741 P742 M794 T795 F800 M803 V808	L294-I798 HydrophobicContact CD2-CG2 4.2Å; E320-I798 HydrophobicContact CB-CG2 4.03Å; R740-I798 WeakPolarHBondContact O-CD1 3.12Å; L741-I798 HydrophobicContact CD2-CD1 4.2Å; P742-I798 HydrophobicContact CG-CG2 4.06Å; M794-I798 HydrophobicContact CG-CD1 4.27Å; M794-I798 HydrophobicContact CG-CG2 4.41Å; M794-I798 WeakPolarHBondContact O-CG1 3.34Å; M794-I798 PolarHBondContact O-N 3.22Å; T795-I798 PolarHBondContact O-N 3.38Å; I798-F800 VanDerWaalsContact O-CD2 3.28Å; I798-F800 WeakPolarHBondContact O-CD2 3.39Å; I798-M803 VanDerWaalsContact O-CE 3.25Å; I798-M803 WeakPolarHBondContact O-CE 3.46Å; I798-V808 HydrophobicContact CD1-CB 4.08Å; I798-V808 HydrophobicContact CD1-CG2 3.92Å
799	N	95.4	Very high	93.9	Very high	25 Å²	25	33.2 Å²	33.2	13%	0.134	18%	0.177	C	C	.	.			trans	-82.7	124.3	175.4	-69.2	-19	0	0	0	111	K297 T795 M803 V808	K297-N799 PolarHBondContact NZ-O 3.27Å; T795-N799 WeakPolarHBondContact O-CB 3.48Å; T795-N799 PolarHBondContact O-N 3.48Å; T795-N799 PolarHBondContact O-ND2 2.85Å; N799-M803 VanDerWaalsContact CA-CE 3.42Å; N799-M803 HydrophobicContact CB-CE 4.35Å; N799-V808 PolarHBondContact ND2-O 2.86Å; N799-V808 PolarHBondContact OD1-N 2.96Å; N799-V808 VanDerWaalsContact OD1-N 3.12Å
800	F	94.5	Very high	94	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.026	17%	0.167	C	C	.	.			trans	-119.7	147.4	176.8	-69.1	-97	0	0	0	110.2	K297 F299 M323 F346 I797 I798 N802 M803	K297-F800 HydrophobicContact CD-CE1 4.12Å; K297-F800 HydrophobicContact CD-CZ 4.27Å; K297-F800 HydrophobicContact CG-CE1 3.79Å; K297-F800 HydrophobicContact CG-CZ 3.71Å; F299-F800 HydrophobicContact CD1-CD1 4.2Å; F299-F800 AromaticContact CD1-CE1 3.87Å; F299-F800 HydrophobicContact CD1-CE1 3.87Å; F299-F800 AromaticContact CE1-CD1 3.9Å; F299-F800 HydrophobicContact CE1-CD1 3.9Å; F299-F800 AromaticContact CE1-CE1 3.66Å; F299-F800 HydrophobicContact CE1-CE1 3.66Å; M323-F800 HydrophobicContact CB-CD1 3.65Å; M323-F800 HydrophobicContact CB-CD2 4.05Å; M323-F800 HydrophobicContact CB-CE1 3.64Å; M323-F800 HydrophobicContact CB-CE2 4.07Å; M323-F800 HydrophobicContact CB-CG 3.85Å; M323-F800 HydrophobicContact CB-CZ 3.87Å; M323-F800 HydrophobicContact CE-CB 3.73Å; M323-F800 HydrophobicContact CE-CD2 3.82Å; M323-F800 HydrophobicContact CE-CG 3.89Å; M323-F800 HydrophobicContact CG-CD1 4.41Å; M323-F800 HydrophobicContact CG-CG 4.37Å; M323-F800 HydrophobicContact SD-CB 3.37Å; M323-F800 WeakPolarHBondContact SD-CB 3.48Å; M323-F800 HydrophobicContact SD-CD1 4.14Å; M323-F800 HydrophobicContact SD-CD2 4.21Å; M323-F800 HydrophobicContact SD-CG 3.67Å; F346-F800 HydrophobicContact CE2-CB 4.29Å; F346-F800 HydrophobicContact CE2-CD1 4.38Å; F346-F800 HydrophobicContact CZ-CB 4.3Å; F346-F800 AromaticContact CZ-CD1 3.72Å; F346-F800 HydrophobicContact CZ-CD1 3.72Å; F346-F800 HydrophobicContact CZ-CG 4.4Å; I797-F800 WeakPolarHBondContact O-CE2 3.5Å; I798-F800 VanDerWaalsContact O-CD2 3.28Å; I798-F800 WeakPolarHBondContact O-CD2 3.39Å; F800-N802 PolarHBondContact O-N 2.88Å; F800-M803 HydrophobicContact CB-CE 4.07Å; F800-M803 HydrophobicContact CD2-CE 4.27Å; F800-M803 PolarHBondContact O-N 2.8Å
801	P	90.4	Very high	94.1	Very high	32 Å²	32	30.5 Å²	30.5	21%	0.208	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	138.6	174.1	-23.2	32.9	0	0	0	111.9	F346 R349 S350 M803	F346-P801 HydrophobicContact CD2-CB 4.48Å; R349-P801 HydrophobicContact CB-CB 4.29Å; R349-P801 HydrophobicContact CB-CG 3.82Å; S350-P801 WeakPolarHBondContact OG-CD 3.25Å; S350-P801 WeakPolarHBondContact OG-CG 3.21Å; P801-M803 PolarHBondContact O-N 2.83Å; P801-M803 VanDerWaalsContact O-N 3.1Å
802	N	82.5	Confident	94	Very high	100 Å²	100	31.4 Å²	31.4	54%	0.535	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	18.2	173.9	-62	-6.8	0	0	0	116.1	R349 F800	R349-N802 VanDerWaalsContact NH1-CG 3.33Å; R349-N802 PolarHBondContact NH1-ND2 3.43Å; R349-N802 PolarHBondContact NH1-OD1 2.88Å; F800-N802 PolarHBondContact O-N 2.88Å
803	M	89.7	Confident	93.7	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.054	16%	0.161	C	C	.	.			trans	-61.5	155	174.8	73.7	158.7	76	0	0	112.7	M323 I798 N799 F800 P801 S805	M323-M803 HydrophobicContact CE-CB 3.74Å; M323-M803 HydrophobicContact SD-CB 4.41Å; I798-M803 VanDerWaalsContact O-CE 3.25Å; I798-M803 WeakPolarHBondContact O-CE 3.46Å; N799-M803 VanDerWaalsContact CA-CE 3.42Å; N799-M803 HydrophobicContact CB-CE 4.35Å; F800-M803 HydrophobicContact CB-CE 4.07Å; F800-M803 HydrophobicContact CD2-CE 4.27Å; F800-M803 PolarHBondContact O-N 2.8Å; P801-M803 PolarHBondContact O-N 2.83Å; P801-M803 VanDerWaalsContact O-N 3.1Å; M803-S805 WeakPolarHBondContact CG-O 3.31Å; M803-S805 WeakPolarHBondContact SD-CB 3.01Å
804	T	88.4	Confident	93.6	Very high	143 Å²	143	28.1 Å²	28.1	88%	0.877	16%	0.157	S	C	*	.	S	Bend	trans	-81.8	-28.1	173.4	52.2	0	0	0	0	112.8
805	S	91.5	Very high	93.2	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	17%	0.168	C	C	.	.	S	Bend	trans	-65.8	162.5	174.8	-76.6	0	0	0	0	112.6	N738 R740 M803	N738-S805 WeakPolarHBondContact O-CA 3.39Å; N738-S805 WeakPolarHBondContact O-CB 3.33Å; N738-S805 PolarHBondContact O-OG 2.94Å; R740-S805 WeakPolarHBondContact CG-OG 3.36Å; M803-S805 WeakPolarHBondContact CG-O 3.31Å; M803-S805 WeakPolarHBondContact SD-CB 3.01Å
806	S	94.6	Very high	92.8	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-73.5	136.9	176.1	-69.3	0	0	0	0	111	N738 H764	N738-S806 PolarHBondContact N-OG 3.06Å; N738-S806 PolarHBondContact O-N 3.16Å; H764-S806 WeakPolarHBondContact O-CB 3.38Å; H764-S806 PolarHBondContact O-OG 3.03Å
807	N	95.7	Very high	92.2	Very high	9 Å²	9	28.7 Å²	28.7	5%	0.048	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-67.3	138.4	171.6	-65.6	-57.2	0	0	0	110.3	E754 G765 L766 R809	E754-N807 PolarHBondContact OE1-ND2 2.9Å; G765-N807 WeakPolarHBondContact CA-O 3.41Å; L766-N807 PolarHBondContact N-O 3.32Å; N807-R809 HydrophobicContact CB-CG 4.41Å; N807-R809 PolarHBondContact ND2-NH2 2.93Å
808	V	97	Very high	91.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.3	168.6	-172.9	0	0	0	0	107.9	P739 L741 L766 I768 T795 I798 N799	P739-V808 HydrophobicContact CB-CG2 3.58Å; L741-V808 HydrophobicContact CD2-CG1 4.19Å; L741-V808 HydrophobicContact CD2-CG2 4.14Å; L766-V808 HydrophobicContact CD2-CG1 4.48Å; L766-V808 HydrophobicContact CG-CG1 4.5Å; L766-V808 CarbonylContact O-C 3.54Å; L766-V808 WeakPolarHBondContact O-CA 3.5Å; I768-V808 HydrophobicContact CD1-CG1 3.58Å; I768-V808 HydrophobicContact CG1-CG1 3.73Å; T795-V808 WeakPolarHBondContact CB-O 3.16Å; T795-V808 HydrophobicContact CG2-CB 4.04Å; T795-V808 HydrophobicContact CG2-CG1 3.83Å; T795-V808 VanDerWaalsContact CG2-O 3.23Å; T795-V808 WeakPolarHBondContact CG2-O 3.12Å; I798-V808 HydrophobicContact CD1-CB 4.08Å; I798-V808 HydrophobicContact CD1-CG2 3.92Å; N799-V808 PolarHBondContact ND2-O 2.86Å; N799-V808 PolarHBondContact OD1-N 2.96Å; N799-V808 VanDerWaalsContact OD1-N 3.12Å
809	R	96.9	Very high	91.8	Very high	20 Å²	20	31.6 Å²	31.6	8%	0.075	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.9	-173.5	-58.8	-164.5	-174.9	-89	0.1	111.7	F752 E754 L766 F767 I768 N807 L843 D845	F752-R809 HydrophobicContact CZ-CG 4.37Å; E754-R809 IonicContact OE2-CZ 3.59Å; E754-R809 IonicContact OE2-NE 3.75Å; E754-R809 PolarHBondContact OE2-NE 2.84Å; E754-R809 IonicContact OE2-NH2 2.65Å; E754-R809 PolarHBondContact OE2-NH2 3.19Å; L766-R809 PolarHBondContact O-N 3.42Å; F767-R809 CarbonylContact C-O 3.53Å; F767-R809 VanDerWaalsContact CA-O 3.28Å; F767-R809 WeakPolarHBondContact CA-O 3.44Å; F767-R809 HydrophobicContact CD1-CB 3.76Å; F767-R809 HydrophobicContact CE1-CB 3.71Å; I768-R809 PolarHBondContact N-O 2.86Å; N807-R809 HydrophobicContact CB-CG 4.41Å; N807-R809 PolarHBondContact ND2-NH2 2.93Å; R809-L843 VanDerWaalsContact CZ-CD1 3.5Å; R809-D845 IonicContact CZ-OD1 2.7Å; R809-D845 IonicContact CZ-OD2 2.8Å; R809-D845 VanDerWaalsContact CZ-OD2 3.26Å; R809-D845 IonicContact NH1-OD1 2.85Å; R809-D845 PolarHBondContact NH1-OD1 3.01Å; R809-D845 IonicContact NH1-OD2 3.46Å; R809-D845 PolarHBondContact NH1-OD2 2.95Å; R809-D845 IonicContact NH2-OD1 2.99Å; R809-D845 IonicContact NH2-OD2 3.55Å; R809-D845 PolarHBondContact NH2-OD2 3.32Å
810	V	97	Very high	91.6	Very high	25 Å²	25	31.2 Å²	31.2	15%	0.152	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-90.8	132.6	159.6	178.3	0	0	0	0	107.4	M788 A791 E792	M788-V810 HydrophobicContact CE-CG1 3.64Å; M788-V810 HydrophobicContact CE-CG2 4.28Å; A791-V810 HydrophobicContact CB-CG2 3.76Å; E792-V810 HydrophobicContact CB-CG2 4.07Å
811	P	96.6	Very high	91.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.019	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.6	153.5	175.3	-18.4	27.7	0	0	0	111.5	L689 V690 F767 I768 Y769 F813	L689-P811 HydrophobicContact CB-CB 4.2Å; V690-P811 WeakPolarHBondContact O-CB 3.41Å; F767-P811 HydrophobicContact CB-CG 4.05Å; F767-P811 HydrophobicContact CD1-CB 4.11Å; F767-P811 HydrophobicContact CD1-CG 3.64Å; F767-P811 HydrophobicContact CE1-CB 4.19Å; F767-P811 HydrophobicContact CE1-CG 4.23Å; F767-P811 HydrophobicContact CG-CG 3.86Å; I768-P811 WeakPolarHBondContact O-CD 3.43Å; Y769-P811 HydrophobicContact CD1-CG 3.66Å; Y769-P811 HydrophobicContact CE1-CG 3.61Å; P811-F813 PolarHBondContact O-N 3.48Å
812	P	95.6	Very high	91.8	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.123	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-50.5	120.4	169.2	-26.6	35.4	0	0	0	110.6	L689 V690 H841 F849	L689-P812 WeakPolarHBondContact CA-O 3.34Å; V690-P812 HydrophobicContact CB-CB 4.1Å; V690-P812 HydrophobicContact CB-CG 4.25Å; V690-P812 HydrophobicContact CG2-CB 4.19Å; V690-P812 PolarHBondContact N-O 3.26Å; V690-P812 WeakPolarHBondContact O-CD 3.01Å; P812-H841 WeakPolarHBondContact CG-CE1 3.01Å; P812-F849 HydrophobicContact CG-CE1 4.02Å; P812-F849 HydrophobicContact CG-CZ 3.75Å
813	F	90.3	Very high	92.4	Very high	59 Å²	59	32.6 Å²	32.6	26%	0.259	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	107	-174.5	-174.4	-70	0	0	0	107.9	I687 L689 Y784 R785 M788 P811	I687-F813 HydrophobicContact CB-CE1 4.27Å; I687-F813 HydrophobicContact CB-CZ 4.18Å; I687-F813 HydrophobicContact CD1-CE1 3.86Å; I687-F813 HydrophobicContact CD1-CE2 3.97Å; I687-F813 HydrophobicContact CD1-CZ 3.23Å; I687-F813 HydrophobicContact CG1-CE1 3.7Å; I687-F813 HydrophobicContact CG1-CE2 4.47Å; I687-F813 HydrophobicContact CG1-CZ 3.62Å; I687-F813 HydrophobicContact CG2-CD1 3.77Å; I687-F813 HydrophobicContact CG2-CD2 3.86Å; I687-F813 HydrophobicContact CG2-CE1 3.54Å; I687-F813 HydrophobicContact CG2-CE2 3.69Å; I687-F813 HydrophobicContact CG2-CG 3.92Å; I687-F813 HydrophobicContact CG2-CZ 3.54Å; L689-F813 HydrophobicContact CD2-CB 4.42Å; L689-F813 HydrophobicContact CD2-CD2 3.76Å; L689-F813 HydrophobicContact CD2-CE2 4.5Å; L689-F813 HydrophobicContact CD2-CG 4.33Å; Y784-F813 HydrophobicContact CD1-CE2 4.05Å; Y784-F813 HydrophobicContact CD1-CZ 4.47Å; Y784-F813 HydrophobicContact CE1-CD2 4.42Å; Y784-F813 AromaticContact CE1-CE2 3.6Å; Y784-F813 HydrophobicContact CE1-CE2 3.6Å; Y784-F813 HydrophobicContact CE1-CZ 4.36Å; R785-F813 HydrophobicContact CG-CZ 3.82Å; M788-F813 HydrophobicContact CB-CE2 4.38Å; M788-F813 HydrophobicContact CG-CE2 4.21Å; P811-F813 PolarHBondContact O-N 3.48Å
814	L	91.5	Very high	92.6	Very high	25 Å²	25	38.6 Å²	38.6	13%	0.131	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	152.9	-172.6	-55.7	175.4	0	0	0	111	I687 A688 V690 Y822	I687-L814 CarbonylContact C-O 3.55Å; I687-L814 WeakPolarHBondContact CA-O 3.41Å; A688-L814 PolarHBondContact N-O 2.9Å; A688-L814 PolarHBondContact O-N 3.48Å; V690-L814 HydrophobicContact CG2-CD1 3.61Å; V690-L814 HydrophobicContact CG2-CG 4.36Å; L814-Y822 HydrophobicContact CD1-CD1 3.87Å; L814-Y822 HydrophobicContact CD1-CD2 3.6Å; L814-Y822 HydrophobicContact CD1-CE1 4.37Å; L814-Y822 HydrophobicContact CD1-CE2 4.1Å; L814-Y822 HydrophobicContact CD1-CG 3.46Å; L814-Y822 VanDerWaalsContact CD1-CG 3.46Å; L814-Y822 HydrophobicContact CD2-CD2 4.21Å
815	R	86.9	Confident	92.9	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.9	157.3	-68.8	178.8	-70.2	-173.6	0.7	109	S817 E818	R815-S817 PolarHBondContact O-N 2.93Å; R815-S817 VanDerWaalsContact O-N 3.15Å; R815-E818 HydrophobicContact CB-CG 4.16Å; R815-E818 IonicContact CZ-OE1 3.64Å; R815-E818 PolarHBondContact N-OE2 3.26Å; R815-E818 IonicContact NE-OE1 3.91Å; R815-E818 PolarHBondContact NE-OE1 2.86Å; R815-E818 IonicContact NE-OE2 3.21Å; R815-E818 IonicContact NH2-OE1 2.8Å; R815-E818 PolarHBondContact NH2-OE1 3.39Å; R815-E818 WeakPolarHBondContact O-CB 3.29Å; R815-E818 PolarHBondContact O-N 3.49Å
816	L	87.5	Confident	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-59.7	-30.9	179.2	-171.5	52.8	0	0	0	112.2	L679 L682 Y683 R686 A688 E818 L819 L856 L920 L924	L679-L816 HydrophobicContact CD1-CD2 4.49Å; L682-L816 HydrophobicContact CB-CD2 4.48Å; Y683-L816 HydrophobicContact CD2-CG 4.39Å; R686-L816 PolarHBondContact O-N 2.9Å; A688-L816 HydrophobicContact CB-CD1 4.35Å; L816-E818 PolarHBondContact O-N 2.89Å; L816-L819 HydrophobicContact CD1-CB 4.29Å; L816-L819 HydrophobicContact CD1-CD2 3.77Å; L816-L819 VanDerWaalsContact O-CB 3.23Å; L816-L819 WeakPolarHBondContact O-CB 3.33Å; L816-L819 PolarHBondContact O-N 3.13Å; L816-L856 HydrophobicContact CD1-CD2 3.96Å; L816-L856 HydrophobicContact CD2-CD2 4.37Å; L816-L920 HydrophobicContact CD1-CD2 4.14Å; L816-L924 HydrophobicContact CD1-CD1 4.33Å; L816-L924 HydrophobicContact CG-CD1 4.43Å
817	S	83	Confident	93.1	Very high	37 Å²	37	42.3 Å²	42.3	26%	0.259	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-61.5	-23.2	172.6	62.5	0	0	0	0	115.2	Y683 R815	Y683-S817 VanDerWaalsContact CE2-CA 3.45Å; Y683-S817 WeakPolarHBondContact OH-CB 3.49Å; R815-S817 PolarHBondContact O-N 2.93Å; R815-S817 VanDerWaalsContact O-N 3.15Å
818	E	89.7	Confident	93.1	Very high	62 Å²	62	46.9 Å²	46.9	29%	0.29	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-88.1	-11.7	-178.9	-65.3	164.1	167.5	0	0	112.4	R815 L816 V820 N821 Y822	R815-E818 HydrophobicContact CB-CG 4.16Å; R815-E818 IonicContact CZ-OE1 3.64Å; R815-E818 PolarHBondContact N-OE2 3.26Å; R815-E818 IonicContact NE-OE1 3.91Å; R815-E818 PolarHBondContact NE-OE1 2.86Å; R815-E818 IonicContact NE-OE2 3.21Å; R815-E818 IonicContact NH2-OE1 2.8Å; R815-E818 PolarHBondContact NH2-OE1 3.39Å; R815-E818 WeakPolarHBondContact O-CB 3.29Å; R815-E818 PolarHBondContact O-N 3.49Å; L816-E818 PolarHBondContact O-N 2.89Å; E818-V820 PolarHBondContact O-N 3.28Å; E818-N821 PolarHBondContact O-N 2.8Å; E818-Y822 WeakPolarHBondContact O-CB 3.34Å; E818-Y822 PolarHBondContact O-N 3.3Å
819	L	92.1	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-41.5	-170.2	-177.1	65.5	0	0	0	113	L816 Y822 V823 L854 L920 I921 L924	L816-L819 HydrophobicContact CD1-CB 4.29Å; L816-L819 HydrophobicContact CD1-CD2 3.77Å; L816-L819 VanDerWaalsContact O-CB 3.23Å; L816-L819 WeakPolarHBondContact O-CB 3.33Å; L816-L819 PolarHBondContact O-N 3.13Å; L819-Y822 HydrophobicContact CD1-CD1 4.47Å; L819-Y822 WeakPolarHBondContact O-CB 3.35Å; L819-Y822 PolarHBondContact O-N 3.03Å; L819-V823 HydrophobicContact CD1-CG2 4.28Å; L819-V823 WeakPolarHBondContact O-CG2 3.12Å; L819-V823 PolarHBondContact O-N 2.88Å; L819-L854 HydrophobicContact CD1-CD1 3.61Å; L819-L854 HydrophobicContact CD1-CD2 3.99Å; L819-L854 HydrophobicContact CD1-CG 4.44Å; L819-L854 HydrophobicContact CD2-CD1 3.43Å; L819-L854 VanDerWaalsContact CD2-CD1 3.43Å; L819-L854 HydrophobicContact CG-CD1 4.16Å; L819-L920 HydrophobicContact CD2-CD2 3.97Å; L819-L920 HydrophobicContact CD2-CG 4.4Å; L819-I921 HydrophobicContact CD2-CD1 4.19Å; L819-I921 HydrophobicContact CG-CD1 3.85Å; L819-L924 HydrophobicContact CD2-CD1 4.32Å
820	V	92.7	Very high	92.2	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.103	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-49.1	178.4	176.6	0	0	0	0	111	E818 Y822 V823 K824 I921 L924 E925	E818-V820 PolarHBondContact O-N 3.28Å; V820-Y822 VanDerWaalsContact C-N 3.31Å; V820-Y822 PolarHBondContact O-N 3.05Å; V820-V823 PolarHBondContact O-N 2.96Å; V820-K824 HydrophobicContact CG1-CD 4.28Å; V820-K824 WeakPolarHBondContact O-CG 2.93Å; V820-K824 PolarHBondContact O-N 2.78Å; V820-K824 VanDerWaalsContact O-N 3.17Å; V820-I921 HydrophobicContact CB-CD1 4.36Å; V820-I921 HydrophobicContact CG2-CD1 4.01Å; V820-L924 HydrophobicContact CG2-CB 3.66Å; V820-L924 HydrophobicContact CG2-CD1 4.28Å; V820-E925 HydrophobicContact CG1-CG 3.68Å; V820-E925 HydrophobicContact CG2-CG 4.16Å
821	N	93.2	Very high	91.6	Very high	98 Å²	98	51.6 Å²	51.6	52%	0.524	26%	0.264	S	S	.	.	H	α-helix	trans	-66.3	-36.4	178.9	-73.5	-26.3	0	0	0	111.7	E818 K825	E818-N821 PolarHBondContact O-N 2.8Å; N821-K825 VanDerWaalsContact O-CG 3.27Å; N821-K825 WeakPolarHBondContact O-CG 3.44Å; N821-K825 PolarHBondContact O-N 2.79Å
822	Y	95.4	Very high	90.9	Very high	27 Å²	27	58.2 Å²	58.2	11%	0.106	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-53	175.2	172.6	-93.9	0	0	0	111.6	V690 L814 E818 L819 V820 K824 K825 L826 H841 W907	V690-Y822 HydrophobicContact CB-CE1 4.42Å; V690-Y822 HydrophobicContact CG1-CE1 3.99Å; V690-Y822 WeakPolarHBondContact CG1-OH 3.4Å; V690-Y822 HydrophobicContact CG2-CD1 4.34Å; V690-Y822 HydrophobicContact CG2-CE1 3.75Å; L814-Y822 HydrophobicContact CD1-CD1 3.87Å; L814-Y822 HydrophobicContact CD1-CD2 3.6Å; L814-Y822 HydrophobicContact CD1-CE1 4.37Å; L814-Y822 HydrophobicContact CD1-CE2 4.1Å; L814-Y822 HydrophobicContact CD1-CG 3.46Å; L814-Y822 VanDerWaalsContact CD1-CG 3.46Å; L814-Y822 HydrophobicContact CD2-CD2 4.21Å; E818-Y822 WeakPolarHBondContact O-CB 3.34Å; E818-Y822 PolarHBondContact O-N 3.3Å; L819-Y822 HydrophobicContact CD1-CD1 4.47Å; L819-Y822 WeakPolarHBondContact O-CB 3.35Å; L819-Y822 PolarHBondContact O-N 3.03Å; V820-Y822 VanDerWaalsContact C-N 3.31Å; V820-Y822 PolarHBondContact O-N 3.05Å; Y822-K824 VanDerWaalsContact C-N 3.32Å; Y822-K824 PolarHBondContact O-N 3.28Å; Y822-K825 PolarHBondContact O-N 3.48Å; Y822-L826 HydrophobicContact CE1-CD1 4.19Å; Y822-L826 HydrophobicContact CE1-CD2 3.97Å; Y822-L826 HydrophobicContact CE1-CG 4.31Å; Y822-L826 HydrophobicContact CE2-CD2 4.41Å; Y822-L826 PolarHBondContact O-N 3.22Å; Y822-H841 AromaticContact CE2-CE1 3.99Å; Y822-H841 AromaticContact CE2-ND1 3.45Å; Y822-H841 WeakPolarHBondContact CE2-ND1 3.5Å; Y822-H841 AromaticContact CZ-ND1 3.6Å; Y822-H841 PolarHBondContact OH-ND1 3.15Å; Y822-W907 HydrophobicContact CE1-CH2 4.19Å
823	V	94.9	Very high	90.4	Very high	42 Å²	42	60.7 Å²	60.7	26%	0.255	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-40.9	-177.8	172.5	0	0	0	0	111.3	L819 V820 K825 L826 W907 I921	L819-V823 HydrophobicContact CD1-CG2 4.28Å; L819-V823 WeakPolarHBondContact O-CG2 3.12Å; L819-V823 PolarHBondContact O-N 2.88Å; V820-V823 PolarHBondContact O-N 2.96Å; V823-K825 PolarHBondContact O-N 2.94Å; V823-L826 PolarHBondContact O-N 3.31Å; V823-W907 HydrophobicContact CG2-CH2 4.16Å; V823-W907 HydrophobicContact CG2-CZ2 4.02Å; V823-I921 HydrophobicContact CB-CD1 4.01Å; V823-I921 HydrophobicContact CG2-CD1 3.73Å; V823-I921 HydrophobicContact CG2-CG1 4.31Å
824	K	93.8	Very high	90.1	Very high	137 Å²	137	59.2 Å²	59.2	60%	0.596	30%	0.301	S	S	*	.	H	α-helix	trans	-63	-25.2	176.8	-74.3	177.7	179.2	171.8	0	113.9	V820 Y822 E925	V820-K824 HydrophobicContact CG1-CD 4.28Å; V820-K824 WeakPolarHBondContact O-CG 2.93Å; V820-K824 PolarHBondContact O-N 2.78Å; V820-K824 VanDerWaalsContact O-N 3.17Å; Y822-K824 VanDerWaalsContact C-N 3.32Å; Y822-K824 PolarHBondContact O-N 3.28Å; K824-E925 WeakPolarHBondContact CE-OE1 3.48Å; K824-E925 IonicContact NZ-OE1 3.54Å; K824-E925 PolarHBondContact NZ-OE1 2.94Å
825	K	95.7	Very high	89.8	Confident	170 Å²	170	64.6 Å²	64.6	74%	0.739	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.2	-177.7	-73.7	176.8	-179.4	-177.5	0	113.8	N821 Y822 V823 P827	N821-K825 VanDerWaalsContact O-CG 3.27Å; N821-K825 WeakPolarHBondContact O-CG 3.44Å; N821-K825 PolarHBondContact O-N 2.79Å; Y822-K825 PolarHBondContact O-N 3.48Å; V823-K825 PolarHBondContact O-N 2.94Å; K825-P827 VanDerWaalsContact O-CD 3.22Å; K825-P827 WeakPolarHBondContact O-CD 3.36Å
826	L	96	Very high	90	Very high	22 Å²	22	66 Å²	66	12%	0.115	35%	0.353	C	S	.	.			trans	-66.7	117.2	179.1	-68.4	173.6	0	0	0	110.5	Y822 V823 P839 M840 H841 P851 W907	Y822-L826 HydrophobicContact CE1-CD1 4.19Å; Y822-L826 HydrophobicContact CE1-CD2 3.97Å; Y822-L826 HydrophobicContact CE1-CG 4.31Å; Y822-L826 HydrophobicContact CE2-CD2 4.41Å; Y822-L826 PolarHBondContact O-N 3.22Å; V823-L826 PolarHBondContact O-N 3.31Å; L826-P839 HydrophobicContact CB-CB 3.98Å; L826-P839 HydrophobicContact CD1-CB 4.09Å; L826-M840 WeakPolarHBondContact CD2-O 3.37Å; L826-H841 HydrophobicContact CD2-CB 4.29Å; L826-P851 HydrophobicContact CD1-CG 4.03Å; L826-P851 HydrophobicContact CD2-CG 4.39Å; L826-W907 HydrophobicContact CD1-CZ2 4.04Å
827	P	94.8	Very high	90.1	Very high	51 Å²	51	70.8 Å²	70.8	33%	0.331	38%	0.378	S	S	.	.			trans	-66.6	146.5	173.7	27.8	-36.3	0	0	0	111.3	K825 L829 P839 M840 C842	K825-P827 VanDerWaalsContact O-CD 3.22Å; K825-P827 WeakPolarHBondContact O-CD 3.36Å; P827-L829 HydrophobicContact CB-CD2 4.38Å; P827-L829 HydrophobicContact CB-CG 4.16Å; P827-L829 HydrophobicContact CG-CD1 4.14Å; P827-L829 HydrophobicContact CG-CG 4.24Å; P827-P839 WeakPolarHBondContact O-CA 3.29Å; P827-M840 VanDerWaalsContact CD-O 3.25Å; P827-M840 WeakPolarHBondContact CD-O 3.39Å; P827-M840 PolarHBondContact O-N 3.03Å; P827-C842 VanDerWaalsContact CG-SG 3.54Å
828	L	93.8	Very high	90.5	Very high	106 Å²	106	69.7 Å²	69.7	56%	0.555	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	112.5	169.1	-67.8	178.3	0	0	0	109	L837 V838 P839	L828-L837 HydrophobicContact CB-CB 3.92Å; L828-L837 HydrophobicContact CB-CD1 4.33Å; L828-V838 WeakPolarHBondContact CA-O 3.41Å; L828-P839 HydrophobicContact CD2-CB 4.39Å; L828-P839 HydrophobicContact CD2-CG 3.78Å
829	L	90.9	Very high	90.7	Very high	43 Å²	43	69.3 Å²	69.3	23%	0.225	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152	-176.6	-63.5	-179.9	0	0	0	111.5	P827 L837 V838 M840 T848	P827-L829 HydrophobicContact CB-CD2 4.38Å; P827-L829 HydrophobicContact CB-CG 4.16Å; P827-L829 HydrophobicContact CG-CD1 4.14Å; P827-L829 HydrophobicContact CG-CG 4.24Å; L829-L837 WeakPolarHBondContact O-CA 3.48Å; L829-V838 PolarHBondContact N-O 3.32Å; L829-V838 PolarHBondContact O-N 3.06Å; L829-M840 HydrophobicContact CB-CB 4.17Å; L829-M840 HydrophobicContact CB-CG 3.87Å; L829-M840 HydrophobicContact CD1-CB 3.97Å; L829-M840 HydrophobicContact CD1-CG 4.46Å; L829-M840 HydrophobicContact CG-CB 4.3Å; L829-T848 HydrophobicContact CD1-CG2 3.67Å
830	P	85.6	Confident	90.8	Very high	90 Å²	90	69.3 Å²	69.3	58%	0.584	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	146.2	173.3	30.5	-34.2	0	0	0	110.5	L837	P830-L837 HydrophobicContact CB-CD2 4.03Å; P830-L837 HydrophobicContact CG-CD2 4.41Å
831	C	83.1	Confident	91	Very high	11 Å²	11	70.1 Å²	70.1	7%	0.074	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.4	169	76.9	0	0	0	0	111.3	Y755 D833 S834 V838 M840	Y755-C831 HydrophobicContact CD1-CB 4.13Å; Y755-C831 HydrophobicContact CE1-CB 4.12Å; Y755-C831 HydrophobicContact CG-CB 4.34Å; C831-D833 PolarHBondContact O-N 3.1Å; C831-S834 PolarHBondContact O-N 3.21Å; C831-V838 HydrophobicContact CB-CG2 4.4Å; C831-M840 HydrophobicContact CB-CE 3.24Å
832	K	82.5	Confident	91.1	Very high	141 Å²	141	68.4 Å²	68.4	61%	0.613	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	-178	-176	172.2	178.7	174.5	0	113.6	R762	R762-K832 HydrophobicContact CB-CD 4.35Å
833	D	84.4	Confident	90.9	Very high	72 Å²	72	68.2 Å²	68.2	39%	0.385	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.3	-171.1	-58.1	-40.9	0	0	0	113.3	Y755 R762 C831	Y755-D833 VanDerWaalsContact CE1-OD2 3.28Å; Y755-D833 WeakPolarHBondContact CE1-OD2 3.26Å; Y755-D833 VanDerWaalsContact CZ-OD2 3.31Å; Y755-D833 PolarHBondContact OH-OD2 3.29Å; R762-D833 WeakPolarHBondContact CD-OD2 3.28Å; R762-D833 IonicContact CZ-OD1 2.73Å; R762-D833 IonicContact NH1-OD1 2.89Å; R762-D833 PolarHBondContact NH1-OD1 3.15Å; R762-D833 IonicContact NH1-OD2 2.72Å; C831-D833 PolarHBondContact O-N 3.1Å
834	S	85	Confident	90.5	Very high	28 Å²	28	72.8 Å²	72.8	20%	0.196	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.4	177.6	178.5	0	0	0	0	111.2	C831 T836 V838	C831-S834 PolarHBondContact O-N 3.21Å; S834-T836 WeakPolarHBondContact CB-O 3.4Å; S834-T836 PolarHBondContact O-N 2.98Å; S834-T836 PolarHBondContact OG-N 3.14Å; S834-T836 PolarHBondContact OG-O 3.22Å; S834-T836 PolarHBondContact OG-OG1 3.11Å; S834-V838 WeakPolarHBondContact OG-CG1 3.36Å
835	P	85.2	Confident	90.2	Very high	138 Å²	138	70 Å²	70	90%	0.896	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	-17	173.6	31.2	-34.9	0	0	0	112.8
836	T	90.2	Very high	89.8	Confident	94 Å²	94	63.5 Å²	63.5	58%	0.577	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	160.9	179.6	56	0	0	0	0	111.2	S834 V838	S834-T836 WeakPolarHBondContact CB-O 3.4Å; S834-T836 PolarHBondContact O-N 2.98Å; S834-T836 PolarHBondContact OG-N 3.14Å; S834-T836 PolarHBondContact OG-O 3.22Å; S834-T836 PolarHBondContact OG-OG1 3.11Å; T836-V838 PolarHBondContact O-N 3.42Å
837	L	90.5	Very high	89.7	Confident	100 Å²	100	64 Å²	64	52%	0.524	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	135.9	171.8	-56.1	177.5	0	0	0	109.9	L828 L829 P830	L828-L837 HydrophobicContact CB-CB 3.92Å; L828-L837 HydrophobicContact CB-CD1 4.33Å; L829-L837 WeakPolarHBondContact O-CA 3.48Å; P830-L837 HydrophobicContact CB-CD2 4.03Å; P830-L837 HydrophobicContact CG-CD2 4.41Å
838	V	91.2	Very high	89.7	Confident	14 Å²	14	61.7 Å²	61.7	9%	0.085	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.7	179.9	-65.3	0	0	0	0	110.5	L828 L829 C831 S834 T836 M840	L828-V838 WeakPolarHBondContact CA-O 3.41Å; L829-V838 PolarHBondContact N-O 3.32Å; L829-V838 PolarHBondContact O-N 3.06Å; C831-V838 HydrophobicContact CB-CG2 4.4Å; S834-V838 WeakPolarHBondContact OG-CG1 3.36Å; T836-V838 PolarHBondContact O-N 3.42Å; V838-M840 HydrophobicContact CG2-CE 3.25Å; V838-M840 HydrophobicContact CG2-CG 4.11Å; V838-M840 HydrophobicContact CG2-SD 4Å; V838-M840 PolarHBondContact O-N 2.97Å
839	P	94	Very high	89.8	Confident	54 Å²	54	56.7 Å²	56.7	35%	0.351	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.7	172.7	-19.8	31.3	0	0	0	110.5	L826 P827 L828 P851	L826-P839 HydrophobicContact CB-CB 3.98Å; L826-P839 HydrophobicContact CD1-CB 4.09Å; P827-P839 WeakPolarHBondContact O-CA 3.29Å; L828-P839 HydrophobicContact CD2-CB 4.39Å; L828-P839 HydrophobicContact CD2-CG 3.78Å; P839-P851 WeakPolarHBondContact O-CD 3.43Å
840	M	94.7	Very high	90	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.335	C	S	.	.			trans	-126.5	142.6	-176.6	-72.4	-60.5	-166.2	0	0	111.5	Y755 L826 P827 L829 C831 V838 T848 F849 Q850	Y755-M840 HydrophobicContact CD2-CE 3.99Å; Y755-M840 HydrophobicContact CE2-CE 4.03Å; L826-M840 WeakPolarHBondContact CD2-O 3.37Å; P827-M840 VanDerWaalsContact CD-O 3.25Å; P827-M840 WeakPolarHBondContact CD-O 3.39Å; P827-M840 PolarHBondContact O-N 3.03Å; L829-M840 HydrophobicContact CB-CB 4.17Å; L829-M840 HydrophobicContact CB-CG 3.87Å; L829-M840 HydrophobicContact CD1-CB 3.97Å; L829-M840 HydrophobicContact CD1-CG 4.46Å; L829-M840 HydrophobicContact CG-CB 4.3Å; C831-M840 HydrophobicContact CB-CE 3.24Å; V838-M840 HydrophobicContact CG2-CE 3.25Å; V838-M840 HydrophobicContact CG2-CG 4.11Å; V838-M840 HydrophobicContact CG2-SD 4Å; V838-M840 PolarHBondContact O-N 2.97Å; M840-T848 HydrophobicContact CB-CG2 4.42Å; M840-F849 VanDerWaalsContact SD-O 3.42Å; M840-Q850 HydrophobicContact CE-CB 3.96Å; M840-Q850 WeakPolarHBondContact SD-CA 3.5Å; M840-Q850 HydrophobicContact SD-CB 3.56Å; M840-Q850 VanDerWaalsContact SD-CB 3.56Å; M840-Q850 HydrophobicContact SD-CG 4.25Å; M840-Q850 PolarHBondContact SD-N 2.88Å
841	H	96.1	Very high	90.5	Very high	34 Å²	34	52.8 Å²	52.8	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	164.5	-177.2	89.4	0	0	0	109.5	P812 Y822 L826 T848 F849	P812-H841 WeakPolarHBondContact CG-CE1 3.01Å; Y822-H841 AromaticContact CE2-CE1 3.99Å; Y822-H841 AromaticContact CE2-ND1 3.45Å; Y822-H841 WeakPolarHBondContact CE2-ND1 3.5Å; Y822-H841 AromaticContact CZ-ND1 3.6Å; Y822-H841 PolarHBondContact OH-ND1 3.15Å; L826-H841 HydrophobicContact CD2-CB 4.29Å; H841-T848 CarbonylContact O-C 3.45Å; H841-T848 WeakPolarHBondContact O-CA 3.45Å; H841-T848 WeakPolarHBondContact O-CB 3.44Å; H841-F849 HydrophobicContact CB-CD1 3.96Å; H841-F849 HydrophobicContact CB-CE1 3.56Å; H841-F849 HydrophobicContact CB-CE2 4.16Å; H841-F849 HydrophobicContact CB-CG 4.43Å; H841-F849 HydrophobicContact CB-CZ 3.67Å; H841-F849 AromaticContact CD2-CE1 3.33Å; H841-F849 WeakPolarHBondContact CD2-CE1 2.91Å; H841-F849 AromaticContact CG-CE1 3.55Å; H841-F849 AromaticContact CG-CZ 3.84Å; H841-F849 PolarHBondContact N-O 3.33Å; H841-F849 PolarHBondContact O-N 2.9Å; H841-F849 VanDerWaalsContact O-N 3.08Å
842	C	94.7	Very high	91.1	Very high	62 Å²	62	56 Å²	56	42%	0.419	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.5	176.2	-65.3	0	0	0	0	111.1	P827 T848	P827-C842 VanDerWaalsContact CG-SG 3.54Å; C842-T848 HydrophobicContact CB-CG2 4.26Å
843	L	91.8	Very high	91.7	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.12	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-92	150.4	176.2	-62.6	154.9	0	0	0	110.2	R809 D845 G846 F847 F849	R809-L843 VanDerWaalsContact CZ-CD1 3.5Å; L843-D845 VanDerWaalsContact CB-OD1 3.29Å; L843-D845 WeakPolarHBondContact CB-OD1 3.47Å; L843-D845 PolarHBondContact O-N 3.14Å; L843-D845 VanDerWaalsContact O-N 3.12Å; L843-G846 PolarHBondContact O-N 2.84Å; L843-F847 HydrophobicContact CB-CB 4.4Å; L843-F847 WeakPolarHBondContact CB-O 3.1Å; L843-F847 HydrophobicContact CD1-CB 3.79Å; L843-F847 PolarHBondContact N-O 3.01Å; L843-F849 HydrophobicContact CD1-CD1 4.16Å; L843-F849 HydrophobicContact CD2-CE1 4.43Å; L843-F849 HydrophobicContact CG-CD1 4.42Å
844	P	86	Confident	92.2	Very high	139 Å²	139	46.3 Å²	46.3	90%	0.903	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-23.7	-176	-25	34.6	0	0	0	115	G846	P844-G846 VanDerWaalsContact C-N 3.32Å; P844-G846 PolarHBondContact O-N 3.38Å
845	D	87	Confident	92.7	Very high	78 Å²	78	45.2 Å²	45.2	42%	0.417	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	10.1	-175.9	63.6	-8.7	0	0	0	114	R809 L843 F847	R809-D845 IonicContact CZ-OD1 2.7Å; R809-D845 IonicContact CZ-OD2 2.8Å; R809-D845 VanDerWaalsContact CZ-OD2 3.26Å; R809-D845 IonicContact NH1-OD1 2.85Å; R809-D845 PolarHBondContact NH1-OD1 3.01Å; R809-D845 IonicContact NH1-OD2 3.46Å; R809-D845 PolarHBondContact NH1-OD2 2.95Å; R809-D845 IonicContact NH2-OD1 2.99Å; R809-D845 IonicContact NH2-OD2 3.55Å; R809-D845 PolarHBondContact NH2-OD2 3.32Å; L843-D845 VanDerWaalsContact CB-OD1 3.29Å; L843-D845 WeakPolarHBondContact CB-OD1 3.47Å; L843-D845 PolarHBondContact O-N 3.14Å; L843-D845 VanDerWaalsContact O-N 3.12Å; D845-F847 PolarHBondContact OD1-N 2.92Å
846	G	88.5	Confident	93.1	Very high	33 Å²	33	38.8 Å²	38.8	34%	0.34	23%	0.228	S	C	.	.	S	Bend	trans	81.8	20	178.4	0	0	0	0	0	114.2	V757 L843 P844	V757-G846 WeakPolarHBondContact CB-O 3.45Å; V757-G846 VanDerWaalsContact CG2-O 3.25Å; V757-G846 WeakPolarHBondContact CG2-O 3.42Å; V757-G846 PolarHBondContact N-O 3.22Å; L843-G846 PolarHBondContact O-N 2.84Å; P844-G846 VanDerWaalsContact C-N 3.32Å; P844-G846 PolarHBondContact O-N 3.38Å
847	F	93.3	Very high	93.3	Very high	32 Å²	32	34.3 Å²	34.3	14%	0.14	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	161	165.7	-73.4	-89.6	0	0	0	111.5	E754 Y755 A756 K763 L843 D845	E754-F847 HydrophobicContact CB-CD1 4.47Å; E754-F847 HydrophobicContact CG-CD1 3.98Å; E754-F847 HydrophobicContact CG-CE1 4.49Å; Y755-F847 CarbonylContact O-C 3.46Å; Y755-F847 WeakPolarHBondContact O-CA 3.47Å; A756-F847 HydrophobicContact CB-CD1 4.32Å; A756-F847 HydrophobicContact CB-CE1 3.99Å; K763-F847 HydrophobicContact CD-CE1 4.03Å; K763-F847 HydrophobicContact CD-CZ 4.41Å; L843-F847 HydrophobicContact CB-CB 4.4Å; L843-F847 WeakPolarHBondContact CB-O 3.1Å; L843-F847 HydrophobicContact CD1-CB 3.79Å; L843-F847 PolarHBondContact N-O 3.01Å; D845-F847 PolarHBondContact OD1-N 2.92Å
848	T	95.8	Very high	93.4	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	159.6	173.6	49.5	0	0	0	0	110.3	E754 Y755 V757 L829 M840 H841 C842	E754-T848 CarbonylContact C-O 3.54Å; E754-T848 VanDerWaalsContact CA-O 3.29Å; E754-T848 WeakPolarHBondContact CA-O 3.5Å; Y755-T848 PolarHBondContact N-O 2.95Å; Y755-T848 PolarHBondContact O-N 2.86Å; Y755-T848 PolarHBondContact O-OG1 2.98Å; Y755-T848 VanDerWaalsContact O-OG1 3.06Å; V757-T848 HydrophobicContact CG2-CG2 3.45Å; V757-T848 VanDerWaalsContact CG2-CG2 3.45Å; L829-T848 HydrophobicContact CD1-CG2 3.67Å; M840-T848 HydrophobicContact CB-CG2 4.42Å; H841-T848 CarbonylContact O-C 3.45Å; H841-T848 WeakPolarHBondContact O-CA 3.45Å; H841-T848 WeakPolarHBondContact O-CB 3.44Å; C842-T848 HydrophobicContact CB-CG2 4.26Å
849	F	96.1	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.4	168	73.4	-92.6	0	0	0	110.8	V690 F752 F767 P812 M840 H841 L843 P851	V690-F849 HydrophobicContact CG1-CE2 4.32Å; V690-F849 HydrophobicContact CG1-CZ 4.45Å; F752-F849 HydrophobicContact CD2-CB 4.2Å; F752-F849 HydrophobicContact CE2-CB 3.87Å; F752-F849 HydrophobicContact CE2-CG 4.27Å; F767-F849 HydrophobicContact CE2-CD2 4.4Å; F767-F849 HydrophobicContact CE2-CE2 4.38Å; F767-F849 HydrophobicContact CZ-CD1 4.01Å; F767-F849 HydrophobicContact CZ-CD2 4.31Å; F767-F849 AromaticContact CZ-CE1 3.83Å; F767-F849 HydrophobicContact CZ-CE1 3.83Å; F767-F849 HydrophobicContact CZ-CE2 4.16Å; F767-F849 HydrophobicContact CZ-CG 4.24Å; F767-F849 AromaticContact CZ-CZ 3.91Å; F767-F849 HydrophobicContact CZ-CZ 3.91Å; P812-F849 HydrophobicContact CG-CE1 4.02Å; P812-F849 HydrophobicContact CG-CZ 3.75Å; M840-F849 VanDerWaalsContact SD-O 3.42Å; H841-F849 HydrophobicContact CB-CD1 3.96Å; H841-F849 HydrophobicContact CB-CE1 3.56Å; H841-F849 HydrophobicContact CB-CE2 4.16Å; H841-F849 HydrophobicContact CB-CG 4.43Å; H841-F849 HydrophobicContact CB-CZ 3.67Å; H841-F849 AromaticContact CD2-CE1 3.33Å; H841-F849 WeakPolarHBondContact CD2-CE1 2.91Å; H841-F849 AromaticContact CG-CE1 3.55Å; H841-F849 AromaticContact CG-CZ 3.84Å; H841-F849 PolarHBondContact N-O 3.33Å; H841-F849 PolarHBondContact O-N 2.9Å; H841-F849 VanDerWaalsContact O-N 3.08Å; L843-F849 HydrophobicContact CD1-CD1 4.16Å; L843-F849 HydrophobicContact CD2-CE1 4.43Å; L843-F849 HydrophobicContact CG-CD1 4.42Å; F849-P851 HydrophobicContact CE2-CG 4.47Å; F849-P851 WeakPolarHBondContact O-CD 3.01Å
850	Q	94.8	Very high	93.2	Very high	47 Å²	47	28.7 Å²	28.7	22%	0.22	17%	0.165	C	C	.	.			trans	-86.2	120.3	176.9	-171.3	178.7	4.1	0	0	109.1	G692 N693 M840 H852	G692-Q850 VanDerWaalsContact CA-O 3.32Å; G692-Q850 WeakPolarHBondContact CA-O 3.38Å; N693-Q850 PolarHBondContact N-O 2.83Å; N693-Q850 VanDerWaalsContact N-O 3.15Å; N693-Q850 PolarHBondContact ND2-OE1 3.29Å; M840-Q850 HydrophobicContact CE-CB 3.96Å; M840-Q850 WeakPolarHBondContact SD-CA 3.5Å; M840-Q850 HydrophobicContact SD-CB 3.56Å; M840-Q850 VanDerWaalsContact SD-CB 3.56Å; M840-Q850 HydrophobicContact SD-CG 4.25Å; M840-Q850 PolarHBondContact SD-N 2.88Å; Q850-H852 PolarHBondContact O-N 2.84Å
851	P	95.8	Very high	92.9	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.032	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.1	171.6	-25.2	36.8	0	0	0	111.9	V690 C691 L826 P839 F849 W907	V690-P851 HydrophobicContact CG1-CB 3.81Å; V690-P851 HydrophobicContact CG1-CG 4.12Å; C691-P851 CarbonylContact O-C 3.58Å; C691-P851 WeakPolarHBondContact O-CA 3.19Å; L826-P851 HydrophobicContact CD1-CG 4.03Å; L826-P851 HydrophobicContact CD2-CG 4.39Å; P839-P851 WeakPolarHBondContact O-CD 3.43Å; F849-P851 HydrophobicContact CE2-CG 4.47Å; F849-P851 WeakPolarHBondContact O-CD 3.01Å; P851-W907 HydrophobicContact CB-CD2 3.8Å; P851-W907 HydrophobicContact CB-CE3 3.7Å; P851-W907 HydrophobicContact CB-CH2 3.47Å; P851-W907 VanDerWaalsContact CB-CH2 3.47Å; P851-W907 HydrophobicContact CB-CZ2 3.53Å; P851-W907 HydrophobicContact CB-CZ3 3.55Å; P851-W907 HydrophobicContact CG-CH2 4.2Å; P851-W907 HydrophobicContact CG-CZ2 4.15Å
852	H	94.6	Very high	92.3	Very high	79 Å²	79	32.1 Å²	32.1	37%	0.366	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	-30.8	-173	-177.5	76.9	0	0	0	114	C691 G692 N693 Q850 W907	C691-H852 PolarHBondContact O-N 2.82Å; G692-H852 VanDerWaalsContact C-CB 3.49Å; N693-H852 WeakPolarHBondContact OD1-CB 3.38Å; N693-H852 PolarHBondContact OD1-ND1 3.24Å; Q850-H852 PolarHBondContact O-N 2.84Å; H852-W907 WeakPolarHBondContact O-CB 3.19Å; H852-W907 PolarHBondContact O-N 2.88Å
853	S	95.3	Very high	92	Very high	9 Å²	9	32.2 Å²	32.2	6%	0.063	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	167.1	174.7	58.6	0	0	0	0	110.7	C691 N904 L905	C691-S853 WeakPolarHBondContact CB-OG 2.96Å; C691-S853 PolarHBondContact N-O 2.61Å; S853-N904 WeakPolarHBondContact CB-OD1 3.28Å; S853-L905 CarbonylContact C-O 3.58Å; S853-L905 VanDerWaalsContact CA-O 3.3Å; S853-L905 WeakPolarHBondContact CA-O 3.46Å; S853-L905 WeakPolarHBondContact CB-O 3.48Å
854	L	95.7	Very high	91.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.7	165.7	-69.4	176.2	0	0	0	109.7	A688 L689 V690 L819 L905 W907 V917	A688-L854 HydrophobicContact CB-CD2 4.45Å; L689-L854 WeakPolarHBondContact O-CA 3.29Å; V690-L854 HydrophobicContact CB-CD2 4.31Å; V690-L854 HydrophobicContact CG2-CD2 3.78Å; L819-L854 HydrophobicContact CD1-CD1 3.61Å; L819-L854 HydrophobicContact CD1-CD2 3.99Å; L819-L854 HydrophobicContact CD1-CG 4.44Å; L819-L854 HydrophobicContact CD2-CD1 3.43Å; L819-L854 VanDerWaalsContact CD2-CD1 3.43Å; L819-L854 HydrophobicContact CG-CD1 4.16Å; L854-L905 HydrophobicContact CB-CB 4.31Å; L854-L905 HydrophobicContact CD1-CD2 4.43Å; L854-L905 PolarHBondContact N-O 3Å; L854-L905 PolarHBondContact O-N 3.24Å; L854-W907 HydrophobicContact CD2-CZ3 3.9Å; L854-W907 HydrophobicContact CG-CE3 4.49Å; L854-W907 HydrophobicContact CG-CZ3 4.01Å; L854-V917 HydrophobicContact CB-CG2 4.24Å; L854-V917 HydrophobicContact CD1-CB 4.35Å; L854-V917 HydrophobicContact CD1-CG1 3.93Å; L854-V917 HydrophobicContact CD1-CG2 3.59Å; L854-V917 HydrophobicContact CG-CG2 3.62Å
855	L	95.3	Very high	91.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.5	161.8	-62.4	177	0	0	0	108.7	L668 L689 Y769 F902 T903 N904	L668-L855 HydrophobicContact CD1-CD2 3.6Å; L689-L855 HydrophobicContact CB-CB 4.2Å; L689-L855 HydrophobicContact CD1-CB 4.31Å; L689-L855 HydrophobicContact CD1-CD1 4.44Å; L689-L855 PolarHBondContact N-O 3.3Å; L689-L855 PolarHBondContact O-N 3.29Å; Y769-L855 HydrophobicContact CD1-CD1 4.19Å; Y769-L855 HydrophobicContact CD2-CD1 3.58Å; Y769-L855 HydrophobicContact CE1-CD1 4.2Å; Y769-L855 HydrophobicContact CE2-CD1 3.58Å; Y769-L855 HydrophobicContact CG-CD1 3.89Å; L855-F902 HydrophobicContact CB-CD1 4.43Å; L855-T903 WeakPolarHBondContact CA-O 3.33Å; L855-N904 HydrophobicContact CD2-CB 3.86Å
856	L	94.2	Very high	91.8	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	119.7	169.7	-57.1	-177.1	0	0	0	108.8	F671 I687 A688 L816 F902 T903	F671-L856 HydrophobicContact CD2-CD1 3.66Å; F671-L856 HydrophobicContact CE2-CD1 3.38Å; F671-L856 HydrophobicContact CZ-CD1 4.49Å; I687-L856 CarbonylContact O-C 3.58Å; I687-L856 WeakPolarHBondContact O-CA 3.38Å; A688-L856 HydrophobicContact CB-CD2 3.87Å; L816-L856 HydrophobicContact CD1-CD2 3.96Å; L816-L856 HydrophobicContact CD2-CD2 4.37Å; L856-F902 CarbonylContact O-C 3.54Å; L856-F902 WeakPolarHBondContact O-CA 3.49Å; L856-T903 PolarHBondContact N-O 3.33Å; L856-T903 PolarHBondContact O-N 3.25Å
857	V	94.2	Very high	91.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.3	-176.1	-165.6	0	0	0	0	109.8	R686 I687 L689 Y784 T900 F902	R686-V857 VanDerWaalsContact CD-O 3.25Å; R686-V857 WeakPolarHBondContact CD-O 3.36Å; I687-V857 HydrophobicContact CB-CB 4.2Å; I687-V857 HydrophobicContact CB-CG2 4.45Å; I687-V857 HydrophobicContact CG2-CG2 4.44Å; I687-V857 PolarHBondContact N-O 3.34Å; I687-V857 PolarHBondContact O-N 3.48Å; L689-V857 HydrophobicContact CD1-CG2 3.91Å; L689-V857 HydrophobicContact CD2-CG2 4.45Å; L689-V857 HydrophobicContact CG-CG2 3.78Å; Y784-V857 HydrophobicContact CD1-CG1 3.83Å; Y784-V857 HydrophobicContact CD2-CG1 4.41Å; Y784-V857 HydrophobicContact CE1-CB 4.1Å; Y784-V857 HydrophobicContact CE1-CG1 3.67Å; Y784-V857 HydrophobicContact CE1-CG2 3.96Å; Y784-V857 HydrophobicContact CE2-CG1 4.28Å; Y784-V857 HydrophobicContact CG-CG1 4.21Å; V857-T900 HydrophobicContact CG1-CG2 3.54Å; V857-F902 HydrophobicContact CB-CD1 4.41Å; V857-F902 HydrophobicContact CB-CE1 4.34Å; V857-F902 HydrophobicContact CG1-CD1 4.16Å; V857-F902 HydrophobicContact CG1-CE1 3.76Å; V857-F902 HydrophobicContact CG1-CZ 4.12Å; V857-F902 HydrophobicContact CG2-CD1 3.81Å; V857-F902 HydrophobicContact CG2-CE1 3.75Å
858	Q	91.8	Very high	91.1	Very high	41 Å²	41	25.6 Å²	25.6	19%	0.192	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	103.4	164.9	179.6	168.7	-3.6	0	0	108.3	R686 D862 L895 T900 H901	R686-Q858 VanDerWaalsContact NH2-OE1 3.07Å; Q858-D862 PolarHBondContact NE2-OD1 2.84Å; Q858-D862 PolarHBondContact NE2-OD2 2.88Å; Q858-D862 VanDerWaalsContact NE2-OD2 3.16Å; Q858-L895 HydrophobicContact CG-CD1 3.86Å; Q858-L895 WeakPolarHBondContact O-CD1 3.14Å; Q858-T900 WeakPolarHBondContact O-CA 3.34Å; Q858-T900 WeakPolarHBondContact O-CG2 3.47Å; Q858-H901 HydrophobicContact CB-CB 4.41Å; Q858-H901 PolarHBondContact N-O 3.02Å; Q858-H901 PolarHBondContact O-N 2.81Å
859	H	90.9	Very high	90.7	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.037	14%	0.135	C	C	.	.			trans	-109.2	-4.3	-177	64.2	-61.8	0	0	0	114.6	S685 I687 Y784 E866 L895	S685-H859 PolarHBondContact O-CE1 2.65Å; I687-H859 HydrophobicContact CD1-CB 4.11Å; I687-H859 VanDerWaalsContact CD1-CG 3.46Å; I687-H859 WeakPolarHBondContact CD1-ND1 3.41Å; Y784-H859 HydrophobicContact CD1-CB 4.09Å; Y784-H859 HydrophobicContact CG-CB 4.17Å; H859-E866 IonicContact CE1-OE1 3.29Å; H859-E866 IonicContact NE2-OE1 3.43Å; H859-E866 PolarHBondContact NE2-OE1 3.23Å; H859-L895 PolarHBondContact O-N 3.38Å; H859-L895 VanDerWaalsContact O-N 3.13Å
860	M	90.9	Very high	90.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-140.5	166.1	177.2	60.5	179.4	134.6	0	0	110.2	S685 W864 E866 Y877 L889 E893 L895	S685-M860 WeakPolarHBondContact O-CE 3.44Å; M860-W864 HydrophobicContact SD-CB 3.79Å; M860-E866 HydrophobicContact CE-CB 4.19Å; M860-E866 HydrophobicContact CE-CG 3.58Å; M860-Y877 HydrophobicContact CE-CE1 4.37Å; M860-Y877 HydrophobicContact SD-CD1 4.12Å; M860-Y877 HydrophobicContact SD-CE1 4.27Å; M860-L889 HydrophobicContact CB-CD2 3.65Å; M860-L889 HydrophobicContact CG-CD2 4.5Å; M860-L889 HydrophobicContact SD-CD2 4.1Å; M860-E893 WeakPolarHBondContact CA-O 3.43Å; M860-L895 WeakPolarHBondContact O-CD1 3.31Å
861	T	88.4	Confident	90	Very high	34 Å²	34	41.5 Å²	41.5	21%	0.209	21%	0.207	C	C	.	.			trans	-65.4	152.6	175.1	71.8	0	0	0	0	111.2	N863 W864 E893 L895	T861-N863 PolarHBondContact O-N 2.9Å; T861-W864 PolarHBondContact O-N 2.97Å; T861-E893 WeakPolarHBondContact CB-OE2 3.33Å; T861-E893 WeakPolarHBondContact CG2-OE2 3.19Å; T861-E893 PolarHBondContact N-O 2.92Å; T861-E893 PolarHBondContact OG1-OE2 2.91Å; T861-L895 HydrophobicContact CG2-CD2 4.12Å
862	D	83.8	Confident	89.8	Confident	73 Å²	73	44.8 Å²	44.8	39%	0.39	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-8.7	-174.7	-71.4	-44.3	0	0	0	114.4	R686 Q858 W864 R880	R686-D862 IonicContact CZ-OD1 3.24Å; R686-D862 IonicContact NH1-OD1 3.68Å; R686-D862 PolarHBondContact NH1-OD1 2.82Å; R686-D862 VanDerWaalsContact NH1-OD1 3.14Å; R686-D862 IonicContact NH2-OD1 3Å; R686-D862 PolarHBondContact NH2-OD1 2.87Å; Q858-D862 PolarHBondContact NE2-OD1 2.84Å; Q858-D862 PolarHBondContact NE2-OD2 2.88Å; Q858-D862 VanDerWaalsContact NE2-OD2 3.16Å; D862-W864 PolarHBondContact O-N 3.34Å; D862-R880 PolarHBondContact O-NH2 2.83Å
863	N	87	Confident	89.4	Confident	64 Å²	64	43.8 Å²	43.8	34%	0.342	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.7	177.3	-60.3	-29.9	0	0	0	112.2	T861 N879 R880 L881	T861-N863 PolarHBondContact O-N 2.9Å; N863-N879 CarbonylContact O-C 3.55Å; N863-N879 WeakPolarHBondContact O-CA 3.45Å; N863-R880 PolarHBondContact O-N 3.15Å; N863-L881 HydrophobicContact CB-CD1 4.28Å; N863-L881 WeakPolarHBondContact OD1-CD1 3.47Å
864	W	88.4	Confident	89	Confident	7 Å²	7	49.9 Å²	49.9	3%	0.027	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	144.1	-174.5	-67.8	89.5	0	0	0	112.5	M860 T861 D862 F878 N879 T886 L889 P890 E893	M860-W864 HydrophobicContact SD-CB 3.79Å; T861-W864 PolarHBondContact O-N 2.97Å; D862-W864 PolarHBondContact O-N 3.34Å; W864-F878 CarbonylContact C-O 3.54Å; W864-F878 WeakPolarHBondContact CA-O 3.11Å; W864-F878 VanDerWaalsContact CE3-C 3.46Å; W864-N879 HydrophobicContact CD2-CB 3.83Å; W864-N879 HydrophobicContact CE3-CB 3.79Å; W864-N879 HydrophobicContact CH2-CB 3.76Å; W864-N879 HydrophobicContact CZ2-CB 3.78Å; W864-N879 WeakPolarHBondContact CZ2-ND2 3.39Å; W864-N879 HydrophobicContact CZ3-CB 3.74Å; W864-N879 PolarHBondContact NE1-ND2 2.71Å; W864-N879 VanDerWaalsContact NE1-ND2 3.14Å; W864-T886 HydrophobicContact CH2-CG2 3.87Å; W864-T886 HydrophobicContact CZ3-CG2 3.68Å; W864-L889 HydrophobicContact CB-CD1 3.95Å; W864-L889 HydrophobicContact CD2-CD1 3.62Å; W864-L889 HydrophobicContact CE3-CD1 3.92Å; W864-L889 HydrophobicContact CG-CD1 3.67Å; W864-P890 HydrophobicContact CH2-CG 4.1Å; W864-P890 HydrophobicContact CZ2-CG 3.81Å; W864-E893 HydrophobicContact CZ2-CG 4.43Å; W864-E893 PolarHBondContact NE1-OE1 2.83Å; W864-E893 PolarHBondContact NE1-OE2 2.88Å
865	T	87.4	Confident	88.5	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.8	173.6	50.1	0	0	0	0	110.4	H684 Y877 F878 R880	H684-T865 HydrophobicContact CB-CG2 4.36Å; T865-Y877 WeakPolarHBondContact O-CA 3.36Å; T865-F878 PolarHBondContact N-O 2.54Å; T865-F878 PolarHBondContact O-N 3.41Å; T865-F878 PolarHBondContact OG1-O 2.83Å; T865-R880 HydrophobicContact CG2-CG 4.26Å
866	E	86.1	Confident	88.2	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.1	173.3	-88.3	174.7	-168.4	0	0	109.9	H684 R785 H859 M860 L875 Y877	H684-E866 WeakPolarHBondContact O-CA 3.24Å; H684-E866 VanDerWaalsContact O-CB 3.31Å; H684-E866 WeakPolarHBondContact O-CB 3.34Å; H684-E866 PolarHBondContact O-N 3Å; R785-E866 IonicContact CZ-OE1 2.95Å; R785-E866 IonicContact CZ-OE2 2.75Å; R785-E866 IonicContact NE-OE1 3.76Å; R785-E866 PolarHBondContact NE-OE1 3.34Å; R785-E866 VanDerWaalsContact NE-OE1 3.07Å; R785-E866 VanDerWaalsContact NH2-CD 3.27Å; R785-E866 IonicContact NH2-OE1 3.86Å; R785-E866 PolarHBondContact NH2-OE1 3.16Å; R785-E866 IonicContact NH2-OE2 3.83Å; R785-E866 PolarHBondContact NH2-OE2 2.92Å; H859-E866 IonicContact CE1-OE1 3.29Å; H859-E866 IonicContact NE2-OE1 3.43Å; H859-E866 PolarHBondContact NE2-OE1 3.23Å; M860-E866 HydrophobicContact CE-CB 4.19Å; M860-E866 HydrophobicContact CE-CG 3.58Å; E866-L875 HydrophobicContact CB-CD1 3.92Å; E866-L875 HydrophobicContact CG-CD1 4.02Å; E866-L875 HydrophobicContact CG-CD2 4.4Å; E866-L875 HydrophobicContact CG-CG 4.47Å; E866-Y877 HydrophobicContact CG-CD1 3.67Å; E866-Y877 HydrophobicContact CG-CE1 3.26Å; E866-Y877 WeakPolarHBondContact OE1-CE1 3.3Å; E866-Y877 PolarHBondContact OE1-OH 3.27Å
867	E	83.9	Confident	88	Confident	62 Å²	62	55.2 Å²	55.2	29%	0.29	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.4	179.2	-73.3	-163.7	-157.3	0	0	111.9	L875 Y876	E867-L875 CarbonylContact O-C 3.53Å; E867-L875 WeakPolarHBondContact O-CA 3.34Å; E867-Y876 HydrophobicContact CB-CD1 3.88Å; E867-Y876 HydrophobicContact CB-CE1 3.26Å; E867-Y876 HydrophobicContact CB-CE2 4.25Å; E867-Y876 VanDerWaalsContact CB-CZ 3.48Å; E867-Y876 HydrophobicContact CG-CE1 4.47Å; E867-Y876 PolarHBondContact N-O 3.45Å; E867-Y876 WeakPolarHBondContact O-CD1 3.38Å; E867-Y876 PolarHBondContact O-N 3.14Å; E867-Y876 PolarHBondContact OE2-OH 2.88Å
868	I	82.8	Confident	87.8	Confident	84 Å²	84	57.6 Å²	57.6	43%	0.431	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.9	173.3	-54.4	178.7	0	0	0	108.4	R870	I868-R870 PolarHBondContact O-N 3.27Å
869	S	87.3	Confident	87.7	Confident	17 Å²	17	55.7 Å²	55.7	12%	0.119	29%	0.289	C	S	.	.			trans	-64.9	125.5	172.5	169.7	0	0	0	0	110	S871 T872 G873 K874	S869-S871 PolarHBondContact O-N 3.28Å; S869-S871 PolarHBondContact OG-N 3.1Å; S869-S871 PolarHBondContact OG-OG 2.95Å; S869-S871 VanDerWaalsContact OG-OG 3.04Å; S869-T872 VanDerWaalsContact CB-OG1 3.27Å; S869-T872 WeakPolarHBondContact CB-OG1 3.37Å; S869-T872 PolarHBondContact OG-N 2.97Å; S869-T872 PolarHBondContact OG-OG1 2.82Å; S869-G873 VanDerWaalsContact O-CA 3.26Å; S869-G873 WeakPolarHBondContact O-CA 3.43Å; S869-G873 PolarHBondContact O-N 2.88Å; S869-K874 PolarHBondContact N-O 3.42Å
870	R	87.3	Confident	87.4	Confident	257 Å²	257	59.3 Å²	59.3	97%	0.97	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28.1	177.2	-64.3	-177.1	-175.2	178.4	1.5	112.9	I868	I868-R870 PolarHBondContact O-N 3.27Å
871	S	89.4	Confident	87.2	Confident	111 Å²	111	65.4 Å²	65.4	78%	0.776	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-37.3	-176.8	56.7	0	0	0	0	113	S869	S869-S871 PolarHBondContact O-N 3.28Å; S869-S871 PolarHBondContact OG-N 3.1Å; S869-S871 PolarHBondContact OG-OG 2.95Å; S869-S871 VanDerWaalsContact OG-OG 3.04Å
872	T	90.5	Very high	87.4	Confident	74 Å²	74	69.8 Å²	69.8	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-15.7	-175.9	64.9	0	0	0	0	113.7	S869 K874	S869-T872 VanDerWaalsContact CB-OG1 3.27Å; S869-T872 WeakPolarHBondContact CB-OG1 3.37Å; S869-T872 PolarHBondContact OG-N 2.97Å; S869-T872 PolarHBondContact OG-OG1 2.82Å; T872-K874 PolarHBondContact O-N 3.15Å; T872-K874 VanDerWaalsContact O-N 3.16Å; T872-K874 WeakPolarHBondContact OG1-CB 3.48Å; T872-K874 PolarHBondContact OG1-N 3.48Å
873	G	86.7	Confident	87.7	Confident	57 Å²	57	70.6 Å²	70.6	59%	0.588	36%	0.362	S	S	*	.			trans	67.1	4.3	-170.6	0	0	0	0	0	113.9	S869	S869-G873 VanDerWaalsContact O-CA 3.26Å; S869-G873 WeakPolarHBondContact O-CA 3.43Å; S869-G873 PolarHBondContact O-N 2.88Å
874	K	87.2	Confident	87.9	Confident	138 Å²	138	72.5 Å²	72.5	60%	0.6	37%	0.369	S	S	*	.			trans	-87.9	147.3	-178.1	-63.7	-174.3	178.1	-175.5	0	111.2	S869 T872 F887	S869-K874 PolarHBondContact N-O 3.42Å; T872-K874 PolarHBondContact O-N 3.15Å; T872-K874 VanDerWaalsContact O-N 3.16Å; T872-K874 WeakPolarHBondContact OG1-CB 3.48Å; T872-K874 PolarHBondContact OG1-N 3.48Å; K874-F887 HydrophobicContact CB-CD1 4.33Å; K874-F887 HydrophobicContact CB-CE1 3.97Å
875	L	84.4	Confident	88.1	Confident	56 Å²	56	76 Å²	76	29%	0.293	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	135.5	168.6	-174.2	73.2	0	0	0	109.4	E866 E867 F887	E866-L875 HydrophobicContact CB-CD1 3.92Å; E866-L875 HydrophobicContact CG-CD1 4.02Å; E866-L875 HydrophobicContact CG-CD2 4.4Å; E866-L875 HydrophobicContact CG-CG 4.47Å; E867-L875 CarbonylContact O-C 3.53Å; E867-L875 WeakPolarHBondContact O-CA 3.34Å; L875-F887 VanDerWaalsContact O-CD1 3.3Å; L875-F887 WeakPolarHBondContact O-CD1 3.47Å
876	Y	89.9	Confident	88.4	Confident	41 Å²	41	77.8 Å²	77.8	16%	0.161	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.6	168.4	79.2	-80.8	0	0	0	109.6	E867 F878 S885 T886	E867-Y876 HydrophobicContact CB-CD1 3.88Å; E867-Y876 HydrophobicContact CB-CE1 3.26Å; E867-Y876 HydrophobicContact CB-CE2 4.25Å; E867-Y876 VanDerWaalsContact CB-CZ 3.48Å; E867-Y876 HydrophobicContact CG-CE1 4.47Å; E867-Y876 PolarHBondContact N-O 3.45Å; E867-Y876 WeakPolarHBondContact O-CD1 3.38Å; E867-Y876 PolarHBondContact O-N 3.14Å; E867-Y876 PolarHBondContact OE2-OH 2.88Å; Y876-F878 HydrophobicContact CE2-CB 3.94Å; Y876-S885 WeakPolarHBondContact CE2-OG 3.47Å; Y876-T886 CarbonylContact C-O 3.43Å; Y876-T886 WeakPolarHBondContact CA-O 3.49Å; Y876-T886 WeakPolarHBondContact CB-O 3.39Å
877	Y	90.2	Very high	88.6	Confident	22 Å²	22	82.4 Å²	82.4	9%	0.086	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.7	177.9	-61.9	-87.1	0	0	0	109.2	M860 T865 E866 S885 T886 L889	M860-Y877 HydrophobicContact CE-CE1 4.37Å; M860-Y877 HydrophobicContact SD-CD1 4.12Å; M860-Y877 HydrophobicContact SD-CE1 4.27Å; T865-Y877 WeakPolarHBondContact O-CA 3.36Å; E866-Y877 HydrophobicContact CG-CD1 3.67Å; E866-Y877 HydrophobicContact CG-CE1 3.26Å; E866-Y877 WeakPolarHBondContact OE1-CE1 3.3Å; E866-Y877 PolarHBondContact OE1-OH 3.27Å; Y877-S885 CarbonylContact O-C 3.57Å; Y877-S885 VanDerWaalsContact O-CA 3.3Å; Y877-S885 WeakPolarHBondContact O-CA 3.5Å; Y877-T886 PolarHBondContact N-O 3.05Å; Y877-T886 PolarHBondContact O-N 2.79Å; Y877-L889 HydrophobicContact CD1-CB 3.85Å; Y877-L889 HydrophobicContact CD1-CD1 3.86Å; Y877-L889 HydrophobicContact CD1-CD2 4.09Å; Y877-L889 HydrophobicContact CD1-CG 4.17Å; Y877-L889 HydrophobicContact CD2-CB 3.72Å; Y877-L889 HydrophobicContact CE1-CB 3.92Å; Y877-L889 HydrophobicContact CE1-CD2 3.95Å; Y877-L889 HydrophobicContact CE1-CG 4.37Å; Y877-L889 HydrophobicContact CE2-CB 3.81Å; Y877-L889 HydrophobicContact CG-CB 3.75Å; Y877-L889 HydrophobicContact CG-CD1 4.02Å; Y877-L889 HydrophobicContact CG-CG 4.39Å
878	F	89.8	Confident	88.9	Confident	50 Å²	50	85.7 Å²	85.7	22%	0.219	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126	177.7	179.8	-115	0	0	0	110.5	W864 T865 Y876 R880 E884 S885	W864-F878 CarbonylContact C-O 3.54Å; W864-F878 WeakPolarHBondContact CA-O 3.11Å; W864-F878 VanDerWaalsContact CE3-C 3.46Å; T865-F878 PolarHBondContact N-O 2.54Å; T865-F878 PolarHBondContact O-N 3.41Å; T865-F878 PolarHBondContact OG1-O 2.83Å; Y876-F878 HydrophobicContact CE2-CB 3.94Å; F878-R880 HydrophobicContact CD1-CG 3.87Å; F878-R880 HydrophobicContact CE1-CB 4.45Å; F878-R880 HydrophobicContact CE1-CG 3.96Å; F878-E884 CarbonylContact C-O 3.59Å; F878-E884 WeakPolarHBondContact CA-O 3.4Å; F878-E884 WeakPolarHBondContact CD2-O 3.46Å; F878-S885 WeakPolarHBondContact CD2-OG 3.32Å
879	N	90.7	Very high	89.1	Confident	2 Å²	2	82.2 Å²	82.2	1%	0.011	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.2	172.4	-169.8	-54.3	0	0	0	109.4	N863 W864 L881 K882 S883 E884	N863-N879 CarbonylContact O-C 3.55Å; N863-N879 WeakPolarHBondContact O-CA 3.45Å; W864-N879 HydrophobicContact CD2-CB 3.83Å; W864-N879 HydrophobicContact CE3-CB 3.79Å; W864-N879 HydrophobicContact CH2-CB 3.76Å; W864-N879 HydrophobicContact CZ2-CB 3.78Å; W864-N879 WeakPolarHBondContact CZ2-ND2 3.39Å; W864-N879 HydrophobicContact CZ3-CB 3.74Å; W864-N879 PolarHBondContact NE1-ND2 2.71Å; W864-N879 VanDerWaalsContact NE1-ND2 3.14Å; N879-L881 VanDerWaalsContact C-N 3.31Å; N879-L881 PolarHBondContact O-N 3.48Å; N879-L881 PolarHBondContact OD1-N 2.86Å; N879-K882 HydrophobicContact CB-CB 4.23Å; N879-K882 PolarHBondContact OD1-N 3.43Å; N879-S883 VanDerWaalsContact O-CA 3.25Å; N879-S883 WeakPolarHBondContact O-CA 3.39Å; N879-S883 PolarHBondContact O-N 3.18Å; N879-E884 HydrophobicContact CB-CB 4.4Å; N879-E884 PolarHBondContact N-O 3.45Å; N879-E884 PolarHBondContact O-N 3.43Å
880	R	83.6	Confident	89.1	Confident	83 Å²	83	83.7 Å²	83.7	31%	0.313	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26	-176.2	-64.9	-176.5	-70	-175	1	113.8	I681 D862 N863 T865 F878	I681-R880 VanDerWaalsContact CG2-NH2 3.25Å; D862-R880 PolarHBondContact O-NH2 2.83Å; N863-R880 PolarHBondContact O-N 3.15Å; T865-R880 HydrophobicContact CG2-CG 4.26Å; F878-R880 HydrophobicContact CD1-CG 3.87Å; F878-R880 HydrophobicContact CE1-CB 4.45Å; F878-R880 HydrophobicContact CE1-CG 3.96Å
881	L	87.4	Confident	89	Confident	128 Å²	128	79.9 Å²	79.9	67%	0.67	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-41.9	178.8	-66.2	-177.2	0	0	0	111.7	N863 N879	N863-L881 HydrophobicContact CB-CD1 4.28Å; N863-L881 WeakPolarHBondContact OD1-CD1 3.47Å; N879-L881 VanDerWaalsContact C-N 3.31Å; N879-L881 PolarHBondContact O-N 3.48Å; N879-L881 PolarHBondContact OD1-N 2.86Å
882	K	90.8	Very high	88.9	Confident	126 Å²	126	79.4 Å²	79.4	55%	0.548	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-13.6	-177.1	-61.1	-178.1	179.9	175.5	0	113.4	N879 E884	N879-K882 HydrophobicContact CB-CB 4.23Å; N879-K882 PolarHBondContact OD1-N 3.43Å; K882-E884 HydrophobicContact CB-CB 4.27Å; K882-E884 HydrophobicContact CB-CG 3.84Å; K882-E884 WeakPolarHBondContact CD-OE2 3.42Å; K882-E884 PolarHBondContact O-N 3.4Å
883	S	90.2	Very high	89	Confident	91 Å²	91	77.2 Å²	77.2	64%	0.636	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	40.7	-170.8	-57.8	0	0	0	0	112.7	N879	N879-S883 VanDerWaalsContact O-CA 3.25Å; N879-S883 WeakPolarHBondContact O-CA 3.39Å; N879-S883 PolarHBondContact O-N 3.18Å
884	E	92.3	Very high	89.1	Confident	104 Å²	104	77 Å²	77	49%	0.486	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	143.5	-178.9	-71	172	-178.3	0	0	110.5	F878 N879 K882	F878-E884 CarbonylContact C-O 3.59Å; F878-E884 WeakPolarHBondContact CA-O 3.4Å; F878-E884 WeakPolarHBondContact CD2-O 3.46Å; N879-E884 HydrophobicContact CB-CB 4.4Å; N879-E884 PolarHBondContact N-O 3.45Å; N879-E884 PolarHBondContact O-N 3.43Å; K882-E884 HydrophobicContact CB-CB 4.27Å; K882-E884 HydrophobicContact CB-CG 3.84Å; K882-E884 WeakPolarHBondContact CD-OE2 3.42Å; K882-E884 PolarHBondContact O-N 3.4Å
885	S	92.2	Very high	89.4	Confident	79 Å²	79	71.3 Å²	71.3	55%	0.552	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.9	140	177.1	-59.9	0	0	0	0	110.9	Y876 Y877 F878	Y876-S885 WeakPolarHBondContact CE2-OG 3.47Å; Y877-S885 CarbonylContact O-C 3.57Å; Y877-S885 VanDerWaalsContact O-CA 3.3Å; Y877-S885 WeakPolarHBondContact O-CA 3.5Å; F878-S885 WeakPolarHBondContact CD2-OG 3.32Å
886	T	93.5	Very high	89.7	Confident	43 Å²	43	69.7 Å²	69.7	26%	0.264	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.1	175	178	0	0	0	0	110.4	W864 Y876 Y877 D888	W864-T886 HydrophobicContact CH2-CG2 3.87Å; W864-T886 HydrophobicContact CZ3-CG2 3.68Å; Y876-T886 CarbonylContact C-O 3.43Å; Y876-T886 WeakPolarHBondContact CA-O 3.49Å; Y876-T886 WeakPolarHBondContact CB-O 3.39Å; Y877-T886 PolarHBondContact N-O 3.05Å; Y877-T886 PolarHBondContact O-N 2.79Å; T886-D888 WeakPolarHBondContact CG2-O 3.2Å; T886-D888 PolarHBondContact OG1-N 3.08Å; T886-D888 VanDerWaalsContact OG1-N 3.15Å; T886-D888 PolarHBondContact OG1-O 3.34Å
887	F	91.6	Very high	89.9	Confident	106 Å²	106	67.8 Å²	67.8	47%	0.465	36%	0.356	S	S	.	.	S	Bend	trans	-82	-22.1	171.8	-73.4	-77.7	0	0	0	112.3	K874 L875	K874-F887 HydrophobicContact CB-CD1 4.33Å; K874-F887 HydrophobicContact CB-CE1 3.97Å; L875-F887 VanDerWaalsContact O-CD1 3.3Å; L875-F887 WeakPolarHBondContact O-CD1 3.47Å
888	D	88.9	Confident	90	Very high	130 Å²	130	69.5 Å²	69.5	70%	0.695	37%	0.369	S	S	*	.	S	Bend	trans	-118.2	118.6	178.3	-60.1	-56.5	0	0	0	109.2	T886	T886-D888 WeakPolarHBondContact CG2-O 3.2Å; T886-D888 PolarHBondContact OG1-N 3.08Å; T886-D888 VanDerWaalsContact OG1-N 3.15Å; T886-D888 PolarHBondContact OG1-O 3.34Å
889	L	86.8	Confident	90	Very high	11 Å²	11	72.3 Å²	72.3	6%	0.058	38%	0.383	C	S	.	.			trans	-63	130.1	176.7	-176.9	65.3	0	0	0	108.9	M860 W864 Y877 E893 H894	M860-L889 HydrophobicContact CB-CD2 3.65Å; M860-L889 HydrophobicContact CG-CD2 4.5Å; M860-L889 HydrophobicContact SD-CD2 4.1Å; W864-L889 HydrophobicContact CB-CD1 3.95Å; W864-L889 HydrophobicContact CD2-CD1 3.62Å; W864-L889 HydrophobicContact CE3-CD1 3.92Å; W864-L889 HydrophobicContact CG-CD1 3.67Å; Y877-L889 HydrophobicContact CD1-CB 3.85Å; Y877-L889 HydrophobicContact CD1-CD1 3.86Å; Y877-L889 HydrophobicContact CD1-CD2 4.09Å; Y877-L889 HydrophobicContact CD1-CG 4.17Å; Y877-L889 HydrophobicContact CD2-CB 3.72Å; Y877-L889 HydrophobicContact CE1-CB 3.92Å; Y877-L889 HydrophobicContact CE1-CD2 3.95Å; Y877-L889 HydrophobicContact CE1-CG 4.37Å; Y877-L889 HydrophobicContact CE2-CB 3.81Å; Y877-L889 HydrophobicContact CG-CB 3.75Å; Y877-L889 HydrophobicContact CG-CD1 4.02Å; Y877-L889 HydrophobicContact CG-CG 4.39Å; L889-E893 HydrophobicContact CD1-CB 3.88Å; L889-E893 HydrophobicContact CG-CB 4.05Å; L889-H894 WeakPolarHBondContact CB-NE2 3.16Å; L889-H894 VanDerWaalsContact CD2-CD2 3.4Å; L889-H894 WeakPolarHBondContact CD2-CD2 3.31Å; L889-H894 PolarHBondContact O-CE1 3Å; L889-H894 PolarHBondContact O-NE2 3.25Å
890	P	88.4	Confident	90.2	Very high	49 Å²	49	72.3 Å²	72.3	32%	0.318	38%	0.383	S	S	.	.			trans	-59	142.4	-178.7	-24.4	35.3	0	0	0	111.5	W864 S892 E893	W864-P890 HydrophobicContact CH2-CG 4.1Å; W864-P890 HydrophobicContact CZ2-CG 3.81Å; P890-S892 PolarHBondContact O-N 3.22Å; P890-S892 VanDerWaalsContact O-N 3.1Å; P890-E893 HydrophobicContact CB-CG 4.02Å; P890-E893 HydrophobicContact CG-CG 4.26Å; P890-E893 WeakPolarHBondContact O-CB 3.32Å; P890-E893 PolarHBondContact O-N 2.78Å
891	E	85.3	Confident	90.6	Very high	176 Å²	176	70.7 Å²	70.7	82%	0.822	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-56.1	-34.1	-175.9	-70	-173.1	168.6	0	0	113.5	E893 H894	E891-E893 PolarHBondContact O-N 3.38Å; E891-H894 WeakPolarHBondContact O-CB 3.32Å; E891-H894 PolarHBondContact O-N 2.93Å
892	S	87.3	Confident	90.9	Very high	101 Å²	101	64.6 Å²	64.6	71%	0.706	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.2	177.3	58.2	0	0	0	0	114.2	P890	P890-S892 PolarHBondContact O-N 3.22Å; P890-S892 VanDerWaalsContact O-N 3.1Å
893	E	91	Very high	91	Very high	28 Å²	28	59.4 Å²	59.4	13%	0.131	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-102.5	-6.7	-176.9	-54.3	-72	-176.2	0	0	111.7	M860 T861 W864 L889 P890 E891	M860-E893 WeakPolarHBondContact CA-O 3.43Å; T861-E893 WeakPolarHBondContact CB-OE2 3.33Å; T861-E893 WeakPolarHBondContact CG2-OE2 3.19Å; T861-E893 PolarHBondContact N-O 2.92Å; T861-E893 PolarHBondContact OG1-OE2 2.91Å; W864-E893 HydrophobicContact CZ2-CG 4.43Å; W864-E893 PolarHBondContact NE1-OE1 2.83Å; W864-E893 PolarHBondContact NE1-OE2 2.88Å; L889-E893 HydrophobicContact CD1-CB 3.88Å; L889-E893 HydrophobicContact CG-CB 4.05Å; P890-E893 HydrophobicContact CB-CG 4.02Å; P890-E893 HydrophobicContact CG-CG 4.26Å; P890-E893 WeakPolarHBondContact O-CB 3.32Å; P890-E893 PolarHBondContact O-N 2.78Å; E891-E893 PolarHBondContact O-N 3.38Å
894	H	89.7	Confident	91.2	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.241	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-74.4	127.7	171.1	-64.5	155	0	0	0	110.5	P783 L889 E891	P783-H894 HydrophobicContact CB-CB 4.18Å; P783-H894 HydrophobicContact CG-CB 4.05Å; P783-H894 WeakPolarHBondContact CG-ND1 3.41Å; L889-H894 WeakPolarHBondContact CB-NE2 3.16Å; L889-H894 VanDerWaalsContact CD2-CD2 3.4Å; L889-H894 WeakPolarHBondContact CD2-CD2 3.31Å; L889-H894 PolarHBondContact O-CE1 3Å; L889-H894 PolarHBondContact O-NE2 3.25Å; E891-H894 WeakPolarHBondContact O-CB 3.32Å; E891-H894 PolarHBondContact O-N 2.93Å
895	L	92.5	Very high	91.3	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.099	29%	0.286	C	S	.	.			trans	-81	125.8	172.2	-58.9	-175.6	0	0	0	110.3	R787 Q858 H859 M860 T861 E899 T900	R787-L895 PolarHBondContact NH1-O 2.77Å; Q858-L895 HydrophobicContact CG-CD1 3.86Å; Q858-L895 WeakPolarHBondContact O-CD1 3.14Å; H859-L895 PolarHBondContact O-N 3.38Å; H859-L895 VanDerWaalsContact O-N 3.13Å; M860-L895 WeakPolarHBondContact O-CD1 3.31Å; T861-L895 HydrophobicContact CG2-CD2 4.12Å; L895-E899 HydrophobicContact CB-CB 3.91Å; L895-E899 HydrophobicContact CD2-CB 4.02Å; L895-E899 HydrophobicContact CG-CB 4.38Å; L895-T900 PolarHBondContact O-OG1 2.88Å
896	S	92.4	Very high	91.4	Very high	23 Å²	23	51 Å²	51	16%	0.161	27%	0.273	C	S	.	.			trans	-64.3	174.5	170.8	68.1	0	0	0	0	111.3	R780 R787 T898 E899 T900	R780-S896 WeakPolarHBondContact O-CA 3.4Å; R780-S896 WeakPolarHBondContact O-CB 3.28Å; R787-S896 VanDerWaalsContact NH1-C 3.35Å; S896-T898 PolarHBondContact O-N 3.22Å; S896-T898 PolarHBondContact OG-OG1 3.47Å; S896-E899 WeakPolarHBondContact CB-OE2 3.48Å; S896-E899 PolarHBondContact N-OE2 2.95Å; S896-E899 PolarHBondContact O-N 3.34Å; S896-E899 VanDerWaalsContact OG-CD 3.28Å; S896-E899 WeakPolarHBondContact OG-CG 2.99Å; S896-E899 PolarHBondContact OG-OE2 2.82Å; S896-T900 PolarHBondContact O-N 2.81Å; S896-T900 PolarHBondContact O-OG1 3.3Å
897	F	93.7	Very high	91.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-46	175.6	177.3	-89	0	0	0	111.9	Y662 R667 F707 D770 V771 V772 R780 E899	Y662-F897 HydrophobicContact CD1-CD1 4.48Å; Y662-F897 HydrophobicContact CD1-CE1 4.13Å; Y662-F897 HydrophobicContact CD2-CE1 4.38Å; Y662-F897 HydrophobicContact CE1-CD1 4.33Å; Y662-F897 HydrophobicContact CE1-CE1 4.34Å; Y662-F897 HydrophobicContact CG-CE1 4.18Å; R667-F897 PolarHBondContact NH1-O 3.41Å; R667-F897 PolarHBondContact NH2-O 2.97Å; F707-F897 HydrophobicContact CE1-CE1 4.31Å; F707-F897 AromaticContact CE1-CZ 3.71Å; F707-F897 HydrophobicContact CE1-CZ 3.71Å; F707-F897 HydrophobicContact CZ-CE1 4.35Å; F707-F897 AromaticContact CZ-CZ 3.92Å; F707-F897 HydrophobicContact CZ-CZ 3.92Å; D770-F897 HydrophobicContact CB-CD2 4.2Å; D770-F897 HydrophobicContact CB-CE2 3.76Å; D770-F897 VanDerWaalsContact CG-CD2 3.45Å; D770-F897 WeakPolarHBondContact OD2-CD2 3.45Å; V771-F897 WeakPolarHBondContact O-CD2 3.33Å; V772-F897 HydrophobicContact CG2-CD1 4.14Å; V772-F897 HydrophobicContact CG2-CD2 4.05Å; V772-F897 HydrophobicContact CG2-CE1 3.7Å; V772-F897 HydrophobicContact CG2-CE2 3.59Å; V772-F897 HydrophobicContact CG2-CG 4.32Å; V772-F897 HydrophobicContact CG2-CZ 3.43Å; V772-F897 VanDerWaalsContact CG2-CZ 3.43Å; R780-F897 HydrophobicContact CB-CB 3.91Å; R780-F897 HydrophobicContact CG-CB 4.01Å; R780-F897 HydrophobicContact CG-CG 4.34Å; R780-F897 PolarHBondContact O-N 3.24Å; F897-E899 VanDerWaalsContact C-N 3.33Å; F897-E899 PolarHBondContact O-N 3.22Å
898	T	91	Very high	91.2	Very high	58 Å²	58	51.7 Å²	51.7	36%	0.356	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.1	-175.5	45.9	0	0	0	0	113.3	D661 Y662 S896	D661-T898 HydrophobicContact CB-CG2 4.47Å; D661-T898 WeakPolarHBondContact OD2-CG2 3.28Å; Y662-T898 HydrophobicContact CD1-CG2 4.05Å; Y662-T898 HydrophobicContact CE1-CG2 3.65Å; S896-T898 PolarHBondContact O-N 3.22Å; S896-T898 PolarHBondContact OG-OG1 3.47Å
899	E	91.6	Very high	90.9	Very high	110 Å²	110	47.6 Å²	47.6	51%	0.514	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-20.5	-179.8	-63.4	160.9	139.2	0	0	112.7	L895 S896 F897 H901	L895-E899 HydrophobicContact CB-CB 3.91Å; L895-E899 HydrophobicContact CD2-CB 4.02Å; L895-E899 HydrophobicContact CG-CB 4.38Å; S896-E899 WeakPolarHBondContact CB-OE2 3.48Å; S896-E899 PolarHBondContact N-OE2 2.95Å; S896-E899 PolarHBondContact O-N 3.34Å; S896-E899 VanDerWaalsContact OG-CD 3.28Å; S896-E899 WeakPolarHBondContact OG-CG 2.99Å; S896-E899 PolarHBondContact OG-OE2 2.82Å; F897-E899 VanDerWaalsContact C-N 3.33Å; F897-E899 PolarHBondContact O-N 3.22Å; E899-H901 PolarHBondContact O-N 3.45Å
900	T	93.2	Very high	90.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.298	C	S	.	.			trans	-66.2	125.7	177	-57	0	0	0	0	110.1	Y784 R787 V857 Q858 L895 S896 F902	Y784-T900 HydrophobicContact CD2-CG2 3.95Å; Y784-T900 HydrophobicContact CE2-CG2 4.46Å; Y784-T900 HydrophobicContact CG-CG2 4.26Å; R787-T900 PolarHBondContact NH2-OG1 2.94Å; V857-T900 HydrophobicContact CG1-CG2 3.54Å; Q858-T900 WeakPolarHBondContact O-CA 3.34Å; Q858-T900 WeakPolarHBondContact O-CG2 3.47Å; L895-T900 PolarHBondContact O-OG1 2.88Å; S896-T900 PolarHBondContact O-N 2.81Å; S896-T900 PolarHBondContact O-OG1 3.3Å; T900-F902 HydrophobicContact CG2-CE2 3.76Å; T900-F902 HydrophobicContact CG2-CZ 3.73Å
901	H	92.1	Very high	90	Very high	49 Å²	49	60.4 Å²	60.4	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.7	-175.3	-175.4	-92.4	0	0	0	111.8	T669 Q858 E899	T669-H901 WeakPolarHBondContact CG2-NE2 3.36Å; T669-H901 PolarHBondContact OG1-CE1 3.15Å; T669-H901 VanDerWaalsContact OG1-CE1 3.22Å; Q858-H901 HydrophobicContact CB-CB 4.41Å; Q858-H901 PolarHBondContact N-O 3.02Å; Q858-H901 PolarHBondContact O-N 2.81Å; E899-H901 PolarHBondContact O-N 3.45Å
902	F	94.1	Very high	89.3	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.9	-173.1	-59	-99.6	0	0	0	110.6	R667 L668 T669 L689 W748 D770 Y784 L855 L856 V857 T900	R667-F902 WeakPolarHBondContact O-CB 3.12Å; R667-F902 PolarHBondContact O-N 2.82Å; L668-F902 WeakPolarHBondContact CA-O 2.76Å; L668-F902 HydrophobicContact CD1-CB 3.81Å; T669-F902 PolarHBondContact N-O 3.37Å; L689-F902 HydrophobicContact CD1-CE1 4.4Å; W748-F902 HydrophobicContact CE3-CD2 4.48Å; W748-F902 HydrophobicContact CE3-CE2 4.18Å; W748-F902 HydrophobicContact CE3-CZ 4.27Å; W748-F902 HydrophobicContact CH2-CB 4.34Å; W748-F902 AromaticContact CH2-CD2 3.95Å; W748-F902 HydrophobicContact CH2-CD2 3.95Å; W748-F902 HydrophobicContact CH2-CE2 4.45Å; W748-F902 HydrophobicContact CH2-CG 4.02Å; W748-F902 HydrophobicContact CZ3-CB 4.48Å; W748-F902 AromaticContact CZ3-CD1 3.91Å; W748-F902 HydrophobicContact CZ3-CD1 3.91Å; W748-F902 AromaticContact CZ3-CD2 3.5Å; W748-F902 HydrophobicContact CZ3-CD2 3.5Å; W748-F902 VanDerWaalsContact CZ3-CD2 3.5Å; W748-F902 AromaticContact CZ3-CE1 3.96Å; W748-F902 HydrophobicContact CZ3-CE1 3.96Å; W748-F902 AromaticContact CZ3-CE2 3.57Å; W748-F902 HydrophobicContact CZ3-CE2 3.57Å; W748-F902 AromaticContact CZ3-CG 3.69Å; W748-F902 HydrophobicContact CZ3-CG 3.69Å; W748-F902 AromaticContact CZ3-CZ 3.81Å; W748-F902 HydrophobicContact CZ3-CZ 3.81Å; D770-F902 HydrophobicContact CB-CZ 4.09Å; Y784-F902 HydrophobicContact CE2-CE1 4.17Å; Y784-F902 AromaticContact CE2-CZ 3.95Å; Y784-F902 HydrophobicContact CE2-CZ 3.95Å; L855-F902 HydrophobicContact CB-CD1 4.43Å; L856-F902 CarbonylContact O-C 3.54Å; L856-F902 WeakPolarHBondContact O-CA 3.49Å; V857-F902 HydrophobicContact CB-CD1 4.41Å; V857-F902 HydrophobicContact CB-CE1 4.34Å; V857-F902 HydrophobicContact CG1-CD1 4.16Å; V857-F902 HydrophobicContact CG1-CE1 3.76Å; V857-F902 HydrophobicContact CG1-CZ 4.12Å; V857-F902 HydrophobicContact CG2-CD1 3.81Å; V857-F902 HydrophobicContact CG2-CE1 3.75Å; T900-F902 HydrophobicContact CG2-CE2 3.76Å; T900-F902 HydrophobicContact CG2-CZ 3.73Å
903	T	93.7	Very high	88.8	Confident	17 Å²	17	65.3 Å²	65.3	10%	0.104	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.7	174.1	-50	0	0	0	0	110	T669 F671 L855 L856	T669-T903 CarbonylContact O-C 3.49Å; T669-T903 WeakPolarHBondContact O-CA 3.24Å; F671-T903 HydrophobicContact CB-CG2 3.78Å; F671-T903 HydrophobicContact CD2-CG2 3.75Å; F671-T903 HydrophobicContact CG-CG2 4.2Å; L855-T903 WeakPolarHBondContact CA-O 3.33Å; L856-T903 PolarHBondContact N-O 3.33Å; L856-T903 PolarHBondContact O-N 3.25Å
904	N	94.1	Very high	88.4	Confident	53 Å²	53	66.2 Å²	66.2	28%	0.283	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.9	-177.3	-175	39.4	0	0	0	112.3	L668 T669 F671 S853 L855	L668-N904 HydrophobicContact CD1-CB 3.91Å; L668-N904 HydrophobicContact CG-CB 4.37Å; T669-N904 PolarHBondContact O-N 3.15Å; F671-N904 VanDerWaalsContact CB-O 3.27Å; F671-N904 WeakPolarHBondContact CB-O 3.38Å; F671-N904 PolarHBondContact N-O 2.79Å; S853-N904 WeakPolarHBondContact CB-OD1 3.28Å; L855-N904 HydrophobicContact CD2-CB 3.86Å
905	L	94.7	Very high	88.4	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.9	175.3	177.7	63.8	0	0	0	109.5	F671 S853 L854 P915 V917 L920	F671-L905 HydrophobicContact CB-CB 3.91Å; F671-L905 HydrophobicContact CB-CD1 3.9Å; F671-L905 HydrophobicContact CB-CG 4.48Å; F671-L905 HydrophobicContact CD1-CD1 3.61Å; F671-L905 HydrophobicContact CE1-CD1 4.29Å; F671-L905 HydrophobicContact CG-CB 4.2Å; F671-L905 HydrophobicContact CG-CD1 3.89Å; F671-L905 HydrophobicContact CG-CG 4.47Å; S853-L905 CarbonylContact C-O 3.58Å; S853-L905 VanDerWaalsContact CA-O 3.3Å; S853-L905 WeakPolarHBondContact CA-O 3.46Å; S853-L905 WeakPolarHBondContact CB-O 3.48Å; L854-L905 HydrophobicContact CB-CB 4.31Å; L854-L905 HydrophobicContact CD1-CD2 4.43Å; L854-L905 PolarHBondContact N-O 3Å; L854-L905 PolarHBondContact O-N 3.24Å; L905-P915 HydrophobicContact CD1-CB 4.12Å; L905-P915 HydrophobicContact CD1-CG 4.46Å; L905-P915 WeakPolarHBondContact CD1-O 3.18Å; L905-V917 HydrophobicContact CD2-CG2 4.02Å; L905-V917 HydrophobicContact CG-CG2 3.98Å; L905-L920 HydrophobicContact CD2-CB 3.99Å; L905-L920 HydrophobicContact CD2-CD2 3.43Å; L905-L920 VanDerWaalsContact CD2-CD2 3.43Å; L905-L920 HydrophobicContact CD2-CG 4.36Å
906	P	94.4	Very high	88.5	Confident	43 Å²	43	63.6 Å²	63.6	28%	0.279	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	147	177.9	26.9	-35.8	0	0	0	111.9	S916 V917	P906-S916 CarbonylContact O-C 3.53Å; P906-S916 VanDerWaalsContact O-CA 3.28Å; P906-S916 WeakPolarHBondContact O-CA 3.33Å; P906-S916 WeakPolarHBondContact O-CB 3.3Å; P906-V917 PolarHBondContact O-N 3.44Å
907	W	93.4	Very high	88.5	Confident	32 Å²	32	62.6 Å²	62.6	12%	0.121	30%	0.304	C	S	.	.	S	Bend	trans	-64	-46.1	179.6	-152.6	-96.2	0	0	0	112.3	V690 Y822 V823 L826 P851 H852 L854 V917	V690-W907 HydrophobicContact CG1-CH2 4.07Å; V690-W907 HydrophobicContact CG1-CZ3 3.86Å; Y822-W907 HydrophobicContact CE1-CH2 4.19Å; V823-W907 HydrophobicContact CG2-CH2 4.16Å; V823-W907 HydrophobicContact CG2-CZ2 4.02Å; L826-W907 HydrophobicContact CD1-CZ2 4.04Å; P851-W907 HydrophobicContact CB-CD2 3.8Å; P851-W907 HydrophobicContact CB-CE3 3.7Å; P851-W907 HydrophobicContact CB-CH2 3.47Å; P851-W907 VanDerWaalsContact CB-CH2 3.47Å; P851-W907 HydrophobicContact CB-CZ2 3.53Å; P851-W907 HydrophobicContact CB-CZ3 3.55Å; P851-W907 HydrophobicContact CG-CH2 4.2Å; P851-W907 HydrophobicContact CG-CZ2 4.15Å; H852-W907 WeakPolarHBondContact O-CB 3.19Å; H852-W907 PolarHBondContact O-N 2.88Å; L854-W907 HydrophobicContact CD2-CZ3 3.9Å; L854-W907 HydrophobicContact CG-CE3 4.49Å; L854-W907 HydrophobicContact CG-CZ3 4.01Å; W907-V917 HydrophobicContact CD2-CB 4.19Å; W907-V917 HydrophobicContact CD2-CG1 4.25Å; W907-V917 HydrophobicContact CD2-CG2 4.15Å; W907-V917 HydrophobicContact CE3-CB 4.2Å; W907-V917 HydrophobicContact CE3-CG1 4.18Å; W907-V917 HydrophobicContact CE3-CG2 3.72Å; W907-V917 HydrophobicContact CG-CB 4.47Å; W907-V917 HydrophobicContact CH2-CG1 4.19Å; W907-V917 HydrophobicContact CZ2-CG1 4.3Å; W907-V917 HydrophobicContact CZ3-CG1 4.13Å; W907-V917 HydrophobicContact CZ3-CG2 4.18Å
908	I	87	Confident	88.2	Confident	133 Å²	133	65.9 Å²	65.9	68%	0.682	33%	0.325	S	S	*	.	S	Bend	trans	-131.5	145.6	176.1	-56.7	174.1	0	0	0	107.1
909	T	83.4	Confident	88.1	Confident	44 Å²	44	65 Å²	65	27%	0.27	32%	0.319	S	S	.	.			trans	-133.9	141	172.5	-175.1	0	0	0	0	110.2	Q911 C914	T909-Q911 VanDerWaalsContact C-N 3.29Å; T909-Q911 PolarHBondContact OG1-N 3.39Å; T909-C914 HydrophobicContact CG2-CB 4.01Å; T909-C914 VanDerWaalsContact CG2-O 3.24Å; T909-C914 WeakPolarHBondContact CG2-O 3.5Å
910	E	75.5	Confident	88.1	Confident	199 Å²	199	59.8 Å²	59.8	93%	0.93	30%	0.295	S	S	*	.	S	Bend	trans	-80.8	-16.5	171.8	-62.5	-175.9	174.6	0	0	111.7	K912	E910-K912 PolarHBondContact O-N 2.69Å
911	Q	79.7	Confident	87.9	Confident	130 Å²	130	60.6 Å²	60.6	61%	0.607	30%	0.299	S	S	*	.	S	Bend	trans	-81.4	109.7	-177.9	-64.4	-177.2	2.7	0	0	110	T909 Y913 C914	T909-Q911 VanDerWaalsContact C-N 3.29Å; T909-Q911 PolarHBondContact OG1-N 3.39Å; Q911-Y913 PolarHBondContact O-N 2.79Å; Q911-C914 HydrophobicContact CB-CB 3.91Å; Q911-C914 PolarHBondContact O-N 3.29Å; Q911-C914 PolarHBondContact OE1-SG 3.42Å
912	K	71.1	Confident	87.8	Confident	188 Å²	188	63.4 Å²	63.4	82%	0.817	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-23.3	-170.8	-149.1	177.8	-173.6	-179.1	0	116	E910	E910-K912 PolarHBondContact O-N 2.69Å
913	Y	76.8	Confident	87.5	Confident	192 Å²	192	68.5 Å²	68.5	75%	0.753	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	1.6	-176.7	-55.4	-67.9	0	0	0	114	N673 Q911	N673-Y913 PolarHBondContact ND2-O 3.25Å; Q911-Y913 PolarHBondContact O-N 2.79Å
914	C	83	Confident	87.2	Confident	47 Å²	47	67.7 Å²	67.7	32%	0.318	33%	0.327	S	S	.	.	S	Bend	trans	-86.3	133.7	176	-74.4	0	0	0	0	109.5	T909 Q911	T909-C914 HydrophobicContact CG2-CB 4.01Å; T909-C914 VanDerWaalsContact CG2-O 3.24Å; T909-C914 WeakPolarHBondContact CG2-O 3.5Å; Q911-C914 HydrophobicContact CB-CB 3.91Å; Q911-C914 PolarHBondContact O-N 3.29Å; Q911-C914 PolarHBondContact OE1-SG 3.42Å
915	P	89.3	Confident	86.8	Confident	7 Å²	7	68.7 Å²	68.7	5%	0.045	33%	0.33	C	S	.	.			trans	-64.4	144.4	172.9	29.1	-36.1	0	0	0	110.5	F671 I676 L905	F671-P915 HydrophobicContact CD1-CB 3.72Å; F671-P915 HydrophobicContact CD1-CG 3.53Å; F671-P915 HydrophobicContact CE1-CB 3.96Å; F671-P915 HydrophobicContact CE1-CG 4.18Å; F671-P915 VanDerWaalsContact O-CG 3.3Å; F671-P915 WeakPolarHBondContact O-CG 3.29Å; I676-P915 HydrophobicContact CD1-CB 3.69Å; I676-P915 HydrophobicContact CG1-CB 4.34Å; L905-P915 HydrophobicContact CD1-CB 4.12Å; L905-P915 HydrophobicContact CD1-CG 4.46Å; L905-P915 WeakPolarHBondContact CD1-O 3.18Å
916	S	93.4	Very high	86.4	Confident	8 Å²	8	75.3 Å²	75.3	6%	0.056	36%	0.359	C	S	.	.			trans	-130.9	170.2	172.4	65.5	0	0	0	0	110	P906 T918 T919 L920	P906-S916 CarbonylContact O-C 3.53Å; P906-S916 VanDerWaalsContact O-CA 3.28Å; P906-S916 WeakPolarHBondContact O-CA 3.33Å; P906-S916 WeakPolarHBondContact O-CB 3.3Å; S916-T918 PolarHBondContact O-N 2.79Å; S916-T918 PolarHBondContact OG-N 2.83Å; S916-T919 PolarHBondContact N-OG1 3.25Å; S916-T919 WeakPolarHBondContact O-CB 3.27Å; S916-T919 PolarHBondContact O-N 2.95Å; S916-T919 VanDerWaalsContact O-N 3.1Å; S916-T919 PolarHBondContact OG-N 3.11Å; S916-T919 PolarHBondContact OG-OG1 3.14Å; S916-T919 VanDerWaalsContact OG-OG1 3.04Å; S916-L920 PolarHBondContact O-N 3.19Å
917	V	92.8	Very high	85.5	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-55	-39.8	171.5	178.4	0	0	0	0	110.7	L854 L905 P906 W907 T919 L920 I921	L854-V917 HydrophobicContact CB-CG2 4.24Å; L854-V917 HydrophobicContact CD1-CB 4.35Å; L854-V917 HydrophobicContact CD1-CG1 3.93Å; L854-V917 HydrophobicContact CD1-CG2 3.59Å; L854-V917 HydrophobicContact CG-CG2 3.62Å; L905-V917 HydrophobicContact CD2-CG2 4.02Å; L905-V917 HydrophobicContact CG-CG2 3.98Å; P906-V917 PolarHBondContact O-N 3.44Å; W907-V917 HydrophobicContact CD2-CB 4.19Å; W907-V917 HydrophobicContact CD2-CG1 4.25Å; W907-V917 HydrophobicContact CD2-CG2 4.15Å; W907-V917 HydrophobicContact CE3-CB 4.2Å; W907-V917 HydrophobicContact CE3-CG1 4.18Å; W907-V917 HydrophobicContact CE3-CG2 3.72Å; W907-V917 HydrophobicContact CG-CB 4.47Å; W907-V917 HydrophobicContact CH2-CG1 4.19Å; W907-V917 HydrophobicContact CZ2-CG1 4.3Å; W907-V917 HydrophobicContact CZ3-CG1 4.13Å; W907-V917 HydrophobicContact CZ3-CG2 4.18Å; V917-T919 VanDerWaalsContact C-N 3.35Å; V917-T919 PolarHBondContact O-N 3.04Å; V917-L920 PolarHBondContact O-N 3.31Å; V917-I921 HydrophobicContact CG1-CG1 4.23Å; V917-I921 WeakPolarHBondContact O-CG1 3.23Å; V917-I921 PolarHBondContact O-N 2.6Å
918	T	87.7	Confident	84.4	Confident	70 Å²	70	80.2 Å²	80.2	43%	0.429	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-45.3	176.9	-54.6	0	0	0	0	111.8	S916 I921 Q922	S916-T918 PolarHBondContact O-N 2.79Å; S916-T918 PolarHBondContact OG-N 2.83Å; T918-I921 PolarHBondContact O-N 2.99Å; T918-Q922 WeakPolarHBondContact O-CG 3.5Å; T918-Q922 PolarHBondContact O-N 3.48Å
919	T	89.3	Confident	83.3	Confident	39 Å²	39	77.6 Å²	77.6	24%	0.239	38%	0.376	C	S	.	.	H	α-helix	trans	-64.5	-43.6	177.1	-44.9	0	0	0	0	111.1	I676 S916 V917 I921 Q922 Y923	I676-T919 HydrophobicContact CD1-CG2 4.43Å; S916-T919 PolarHBondContact N-OG1 3.25Å; S916-T919 WeakPolarHBondContact O-CB 3.27Å; S916-T919 PolarHBondContact O-N 2.95Å; S916-T919 VanDerWaalsContact O-N 3.1Å; S916-T919 PolarHBondContact OG-N 3.11Å; S916-T919 PolarHBondContact OG-OG1 3.14Å; S916-T919 VanDerWaalsContact OG-OG1 3.04Å; V917-T919 VanDerWaalsContact C-N 3.35Å; V917-T919 PolarHBondContact O-N 3.04Å; T919-I921 PolarHBondContact O-N 2.87Å; T919-Q922 WeakPolarHBondContact O-CB 3.15Å; T919-Q922 PolarHBondContact O-N 2.7Å; T919-Y923 HydrophobicContact CG2-CD2 4.11Å; T919-Y923 HydrophobicContact CG2-CE2 3.94Å; T919-Y923 VanDerWaalsContact O-CD2 3.32Å; T919-Y923 WeakPolarHBondContact O-CD2 3.28Å; T919-Y923 PolarHBondContact O-N 2.84Å; T919-Y923 VanDerWaalsContact O-N 3.16Å
920	L	91.1	Very high	81.9	Confident	1 Å²	1	81 Å²	81	1%	0.005	40%	0.399	C	S	.	.	H	α-helix	trans	-61.8	-43.9	179.1	177.1	57.7	0	0	0	111.9	L679 L816 L819 L905 S916 V917 Q922 Y923 L924	L679-L920 HydrophobicContact CD1-CD1 3.55Å; L679-L920 HydrophobicContact CD2-CD1 3.85Å; L679-L920 HydrophobicContact CG-CD1 4.36Å; L816-L920 HydrophobicContact CD1-CD2 4.14Å; L819-L920 HydrophobicContact CD2-CD2 3.97Å; L819-L920 HydrophobicContact CD2-CG 4.4Å; L905-L920 HydrophobicContact CD2-CB 3.99Å; L905-L920 HydrophobicContact CD2-CD2 3.43Å; L905-L920 VanDerWaalsContact CD2-CD2 3.43Å; L905-L920 HydrophobicContact CD2-CG 4.36Å; S916-L920 PolarHBondContact O-N 3.19Å; V917-L920 PolarHBondContact O-N 3.31Å; L920-Q922 VanDerWaalsContact C-N 3.31Å; L920-Q922 PolarHBondContact O-N 3.23Å; L920-Y923 WeakPolarHBondContact O-CB 3.24Å; L920-Y923 PolarHBondContact O-N 2.81Å; L920-Y923 VanDerWaalsContact O-N 3.13Å; L920-L924 HydrophobicContact CD1-CD1 4.2Å; L920-L924 HydrophobicContact CD1-CD2 4.43Å; L920-L924 HydrophobicContact CD1-CG 4.03Å; L920-L924 HydrophobicContact CG-CD1 4.1Å; L920-L924 HydrophobicContact CG-CG 4.34Å; L920-L924 WeakPolarHBondContact O-CG 3.36Å; L920-L924 PolarHBondContact O-N 2.84Å
921	I	90.3	Very high	80.9	Confident	19 Å²	19	81.5 Å²	81.5	10%	0.097	39%	0.394	C	S	.	.	H	α-helix	trans	-56	-46.8	175.7	-68.3	-78.4	0	0	0	110.8	L819 V820 V823 V917 T918 T919 Y923 L924 E925	L819-I921 HydrophobicContact CD2-CD1 4.19Å; L819-I921 HydrophobicContact CG-CD1 3.85Å; V820-I921 HydrophobicContact CB-CD1 4.36Å; V820-I921 HydrophobicContact CG2-CD1 4.01Å; V823-I921 HydrophobicContact CB-CD1 4.01Å; V823-I921 HydrophobicContact CG2-CD1 3.73Å; V823-I921 HydrophobicContact CG2-CG1 4.31Å; V917-I921 HydrophobicContact CG1-CG1 4.23Å; V917-I921 WeakPolarHBondContact O-CG1 3.23Å; V917-I921 PolarHBondContact O-N 2.6Å; T918-I921 PolarHBondContact O-N 2.99Å; T919-I921 PolarHBondContact O-N 2.87Å; I921-Y923 VanDerWaalsContact C-N 3.28Å; I921-Y923 PolarHBondContact O-N 3.28Å; I921-L924 PolarHBondContact O-N 2.8Å; I921-E925 HydrophobicContact CG2-CG 4.28Å; I921-E925 WeakPolarHBondContact O-CB 3.45Å; I921-E925 WeakPolarHBondContact O-CG 3.41Å; I921-E925 PolarHBondContact O-N 3.33Å
922	Q	88.1	Confident	79.2	Confident	107 Å²	107	81.7 Å²	81.7	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-60.7	-37	178.6	-68.9	171.4	-9.6	0	0	112.5	T918 T919 L920 K926	T918-Q922 WeakPolarHBondContact O-CG 3.5Å; T918-Q922 PolarHBondContact O-N 3.48Å; T919-Q922 WeakPolarHBondContact O-CB 3.15Å; T919-Q922 PolarHBondContact O-N 2.7Å; L920-Q922 VanDerWaalsContact C-N 3.31Å; L920-Q922 PolarHBondContact O-N 3.23Å; Q922-K926 WeakPolarHBondContact O-CG 3.43Å; Q922-K926 PolarHBondContact O-N 3.4Å
923	Y	88.3	Confident	79.6	Confident	107 Å²	107	76.4 Å²	76.4	42%	0.42	39%	0.389	S	S	.	.	H	α-helix	trans	-68.1	-45.4	174.3	-87.7	-78	0	0	0	112	I676 T919 L920 I921 E925 K926 M927	I676-Y923 HydrophobicContact CD1-CD2 4.29Å; I676-Y923 HydrophobicContact CD1-CE2 4.06Å; I676-Y923 HydrophobicContact CG2-CD1 4.28Å; I676-Y923 HydrophobicContact CG2-CD2 4.13Å; I676-Y923 HydrophobicContact CG2-CE1 4.07Å; I676-Y923 HydrophobicContact CG2-CE2 3.92Å; I676-Y923 HydrophobicContact CG2-CG 4.32Å; T919-Y923 HydrophobicContact CG2-CD2 4.11Å; T919-Y923 HydrophobicContact CG2-CE2 3.94Å; T919-Y923 VanDerWaalsContact O-CD2 3.32Å; T919-Y923 WeakPolarHBondContact O-CD2 3.28Å; T919-Y923 PolarHBondContact O-N 2.84Å; T919-Y923 VanDerWaalsContact O-N 3.16Å; L920-Y923 WeakPolarHBondContact O-CB 3.24Å; L920-Y923 PolarHBondContact O-N 2.81Å; L920-Y923 VanDerWaalsContact O-N 3.13Å; I921-Y923 VanDerWaalsContact C-N 3.28Å; I921-Y923 PolarHBondContact O-N 3.28Å; Y923-E925 PolarHBondContact O-N 3.08Å; Y923-K926 PolarHBondContact O-N 3.09Å; Y923-M927 PolarHBondContact O-N 3.15Å
924	L	87.4	Confident	79.8	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-38.1	179.9	-67.3	-178.9	0	0	0	112.4	L679 Y683 L816 L819 V820 L920 I921 K926 M927 S928	L679-L924 HydrophobicContact CD2-CD2 3.54Å; L679-L924 HydrophobicContact CD2-CG 4.32Å; L679-L924 HydrophobicContact CG-CD2 4.19Å; Y683-L924 HydrophobicContact CD2-CD2 3.36Å; Y683-L924 HydrophobicContact CE2-CD1 4.4Å; Y683-L924 HydrophobicContact CE2-CD2 3.54Å; Y683-L924 HydrophobicContact CE2-CG 4.44Å; Y683-L924 HydrophobicContact CG-CD2 4.43Å; L816-L924 HydrophobicContact CD1-CD1 4.33Å; L816-L924 HydrophobicContact CG-CD1 4.43Å; L819-L924 HydrophobicContact CD2-CD1 4.32Å; V820-L924 HydrophobicContact CG2-CB 3.66Å; V820-L924 HydrophobicContact CG2-CD1 4.28Å; L920-L924 HydrophobicContact CD1-CD1 4.2Å; L920-L924 HydrophobicContact CD1-CD2 4.43Å; L920-L924 HydrophobicContact CD1-CG 4.03Å; L920-L924 HydrophobicContact CG-CD1 4.1Å; L920-L924 HydrophobicContact CG-CG 4.34Å; L920-L924 WeakPolarHBondContact O-CG 3.36Å; L920-L924 PolarHBondContact O-N 2.84Å; I921-L924 PolarHBondContact O-N 2.8Å; L924-K926 VanDerWaalsContact C-N 3.34Å; L924-M927 PolarHBondContact O-N 3.2Å; L924-S928 WeakPolarHBondContact O-CB 3.4Å; L924-S928 PolarHBondContact O-N 2.95Å; L924-S928 PolarHBondContact O-OG 3.42Å
925	E	87.2	Confident	79.6	Confident	75 Å²	75	71.6 Å²	71.6	35%	0.35	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-41.2	174.7	-75.3	-176.5	142.5	0	0	111.8	V820 K824 I921 Y923 S928 D929	V820-E925 HydrophobicContact CG1-CG 3.68Å; V820-E925 HydrophobicContact CG2-CG 4.16Å; K824-E925 WeakPolarHBondContact CE-OE1 3.48Å; K824-E925 IonicContact NZ-OE1 3.54Å; K824-E925 PolarHBondContact NZ-OE1 2.94Å; I921-E925 HydrophobicContact CG2-CG 4.28Å; I921-E925 WeakPolarHBondContact O-CB 3.45Å; I921-E925 WeakPolarHBondContact O-CG 3.41Å; I921-E925 PolarHBondContact O-N 3.33Å; Y923-E925 PolarHBondContact O-N 3.08Å; E925-S928 PolarHBondContact O-N 2.89Å; E925-D929 PolarHBondContact O-N 3.01Å
926	K	84.8	Confident	79	Confident	138 Å²	138	75.4 Å²	75.4	60%	0.6	39%	0.392	S	S	*	.	H	α-helix	trans	-64.1	-46.6	174.8	-72.7	176.2	-178.7	-177	0	112	Q922 Y923 L924 S928 D929 S932	Q922-K926 WeakPolarHBondContact O-CG 3.43Å; Q922-K926 PolarHBondContact O-N 3.4Å; Y923-K926 PolarHBondContact O-N 3.09Å; L924-K926 VanDerWaalsContact C-N 3.34Å; K926-S928 PolarHBondContact O-N 3.21Å; K926-D929 PolarHBondContact O-N 2.83Å; K926-D929 VanDerWaalsContact O-N 3.16Å; K926-S932 WeakPolarHBondContact O-CB 3.48Å; K926-S932 PolarHBondContact O-OG 3.24Å; K926-S932 VanDerWaalsContact O-OG 3.07Å
927	M	77	Confident	78.1	Confident	106 Å²	106	79.6 Å²	79.6	52%	0.522	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-25.5	177.7	-72.8	-174.6	77.2	0	0	113.6	L679 Y923 L924	L679-M927 HydrophobicContact CD2-SD 3.95Å; Y923-M927 PolarHBondContact O-N 3.15Å; L924-M927 PolarHBondContact O-N 3.2Å
928	S	68.6	Low	77.1	Confident	72 Å²	72	84.7 Å²	84.7	50%	0.503	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.1	-179.3	-51.1	0	0	0	0	113	L924 E925 K926 P930	L924-S928 WeakPolarHBondContact O-CB 3.4Å; L924-S928 PolarHBondContact O-N 2.95Å; L924-S928 PolarHBondContact O-OG 3.42Å; E925-S928 PolarHBondContact O-N 2.89Å; K926-S928 PolarHBondContact O-N 3.21Å; S928-P930 WeakPolarHBondContact O-CD 3.44Å
929	D	65.6	Low	76.4	Confident	79 Å²	79	85.8 Å²	85.8	42%	0.422	44%	0.44	S	S	.	.			trans	-80.8	114.8	179.4	-170.3	-11.2	0	0	0	109.2	E925 K926 Y931 S932	E925-D929 PolarHBondContact O-N 3.01Å; K926-D929 PolarHBondContact O-N 2.83Å; K926-D929 VanDerWaalsContact O-N 3.16Å; D929-Y931 PolarHBondContact O-N 3.08Å; D929-Y931 WeakPolarHBondContact OD1-CD2 3.42Å; D929-Y931 PolarHBondContact OD1-N 3.48Å; D929-Y931 VanDerWaalsContact OD1-N 3.15Å; D929-S932 PolarHBondContact O-N 3.29Å; D929-S932 VanDerWaalsContact O-N 3.11Å
930	P	53.8	Low	75.4	Confident	115 Å²	115	89.4 Å²	89.4	75%	0.747	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.3	-179.7	25	-33.1	0	0	0	114.1	S928	S928-P930 WeakPolarHBondContact O-CD 3.44Å
931	Y	53.3	Low	74.1	Confident	210 Å²	210	96.8 Å²	96.8	82%	0.824	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	4.6	178	-58.4	-78	0	0	0	114.6	D929	D929-Y931 PolarHBondContact O-N 3.08Å; D929-Y931 WeakPolarHBondContact OD1-CD2 3.42Å; D929-Y931 PolarHBondContact OD1-N 3.48Å; D929-Y931 VanDerWaalsContact OD1-N 3.15Å
932	S	44.6	Very low	72.6	Confident	133 Å²	133	103.8 Å²	103.8	93%	0.93	53%	0.529	S	S	*	.			trans	-84.3	0	178.5	93	0	0	0	0	113.9	K926 D929	K926-S932 WeakPolarHBondContact O-CB 3.48Å; K926-S932 PolarHBondContact O-OG 3.24Å; K926-S932 VanDerWaalsContact O-OG 3.07Å; D929-S932 PolarHBondContact O-N 3.29Å; D929-S932 VanDerWaalsContact O-N 3.11Å

Retrieved 932 of 932 residues in 1521.2 ms (Link to these results)

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