A0A096NR18_PAPAN Loading...

PR domain-containing protein 11

May be involved in transcription regulation.

AlphaFold DB , UniProt , Accession A0A096NR18, Species PAPAN (Papio anubis, Olive baboon), Gene PRDM11, Length 1,177 aa.

						>A0A096NR18_PAPAN|A0A096NR18|PRDM11
MTENMKECLAQTNAAVGDMVTVVKTEVCSPLRDQEYGQPCSRRPDSSAMEVEPKKLKGKRDLIMPKSFQQVDFWFCESCQEYFVDECPNHGPPVFVSDTPVPVGIPDRAALTIPQGMEVVKDTSGESDVRCINEVIPKGHIFGPYEGQISTQDKSAGFFSWLIVDKNNRYKSIDGSDETKANWMRYVVISREEREQNLLAFQHSERIYFRACRDIRPGEWLRVWYSEDYMKRLHSMSQETIHRNLVRGEKRLQREKSEQALDNPEDLRGPIHLPVLRQGKSPYKRGFDEGDVHPQAKKKKIDLIFKDVLEASLESAKVEAHQLALSTSLVIRKVPKYQDDAYSRCATTMTHGVQNIGRTQGEGDRKVPQGVSKEPGQLEDEEEEPSSFKADSPAEASLASDPHELPTTSFCPNCIRLKKKVRELQAELDMLKSGKLPEPPALPPQVLELPEFSDPAASESMVSGPAIMEDDDQEVDSADESVSNDMMTATDEPSKMSSATGRRIRRFKQEWLKKFWFLRYSPTLNEMWCHVCRQYTVQSSRTSAFIIGSKQFKIHTIKLHSQSNLHKKCLQLYKLRMHPEKTEEMCRNMTLLFNTAYHLALEGRPYLDFRPLAELLRKCELKVVDQYMNEGDCQILIHHIARALREDLVERIRQSPCLSIILDGQSDDLLADTVAVYVQYTSSDGPPATEFLSLQELGFSSTESYLQALDRAFSALGIRLQDEKPTVGLGVDGANITASLRASMFMTIRKTLPWLLCLPFMVHRPHLEILDAISGKELPCLEELENNLKQLLSFYRYSPRLMCELRSTAATLCEETEFLGDIRAVRWIIGEQNVLNALIKDYLEVVAHLKEVSSQTQRADASAIALALLQFLMDYQSIKLIYFLLDVIAVLSRLAYIFQGEYLLVSQVDDKIEEAIQEISRLADSPGEYLQEFEENFRESFNGIAMKNLRVAEAKFQSIREKICQKTQVILAQRFDSRSRIFVKACQVFDLAAWPRSSEELMSFGKEDMVQIFDHLEAIPTFSRDVCREGLDPRGSLLMEWRELKADYYTKNGFKDLISHICKYKQRFPLLNKIIQVLKVLPTSTVCCEKGRNALQRVRKNHRSRLTLEQLSDLLTIAVNGPPIANFDAKRALDSWFEEKSGNSYALSAEVLSRMSALEQKPALQTVDHGTEFYPDI
					

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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	34	Very low	25.9	Very low	233 Å²	233	162.1 Å²	162.1	100%	1.148	85%	0.848	S	S	*	*				0	131.5	0	-65.7	168.7	-174.6	0	0	107.4
2	T	28.2	Very low	25.8	Very low	124 Å²	124	157.8 Å²	157.8	76%	0.761	83%	0.834	S	S	*	*			cis	170.9	107.5	-26.9	19.9	0	0	0	0	104.7
3	E	24.5	Very low	25.7	Very low	175 Å²	175	157.5 Å²	157.5	82%	0.818	83%	0.833	S	S	*	*			trans	66.6	147	159	-56.1	-159.4	119.7	0	0	122.7
4	N	27.5	Very low	25.5	Very low	125 Å²	125	153.7 Å²	153.7	67%	0.668	84%	0.835	S	S	*	*			trans	75	103.5	168.8	-51.7	-58.1	0	0	0	115.9
5	M	25.3	Very low	25.5	Very low	180 Å²	180	149.4 Å²	149.4	89%	0.887	83%	0.828	S	S	*	*			cis	59	65.2	7.5	-84.9	-156.2	75.9	0	0	116.7
6	K	26.8	Very low	25.6	Very low	189 Å²	189	149.5 Å²	149.5	82%	0.822	83%	0.834	S	S	*	*			trans	-175.5	139.7	144.6	-95	144.4	-172.8	172	0	106
7	E	25	Very low	25.5	Very low	190 Å²	190	145 Å²	145	89%	0.888	83%	0.829	S	S	*	*			cis	-122.3	155.5	14.2	-64.4	176.8	121.3	0	0	113
8	C	21.4	Very low	25.6	Very low	116 Å²	116	145.3 Å²	145.3	78%	0.784	83%	0.828	S	S	*	*			trans	-144.7	153.4	164.4	-162.8	0	0	0	0	107.2
9	L	23.8	Very low	25.4	Very low	157 Å²	157	146 Å²	146	82%	0.822	83%	0.825	S	S	*	*			trans	65	76.1	169.9	-63.4	161.4	0	0	0	117.8
10	A	24.4	Very low	25.5	Very low	99 Å²	99	145.1 Å²	145.1	82%	0.818	82%	0.822	S	S	*	*			trans	-148.2	132.1	138.7	0	0	0	0	0	107.7
11	Q	24.5	Very low	25.4	Very low	195 Å²	195	143.6 Å²	143.6	91%	0.911	82%	0.817	S	S	*	*			cis	-130.5	161	10.4	-62.9	166.6	-57.8	0	0	111.6
12	T	24.7	Very low	24.9	Very low	111 Å²	111	138.6 Å²	138.6	68%	0.681	80%	0.799	S	S	*	*			trans	-117.5	147.4	-179.7	45.5	0	0	0	0	113.2
13	N	24.2	Very low	24.7	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	80%	0.803	S	S	*	*			trans	61.7	106.2	148.9	-58.9	-12.5	0	0	0	120.9
14	A	23.2	Very low	24.6	Very low	104 Å²	104	138.5 Å²	138.5	86%	0.86	80%	0.797	S	S	*	*				-178.5	149.7	124.6	0	0	0	0	0	110.9
15	A	25.6	Very low	24.5	Very low	89 Å²	89	139.6 Å²	139.6	74%	0.736	81%	0.808	S	S	*	*			cis	-169	148.3	-26.5	0	0	0	0	0	109.5
16	V	26.5	Very low	24.3	Very low	151 Å²	151	138.3 Å²	138.3	92%	0.915	80%	0.8	S	S	*	*			trans	50.6	108.9	162	-174.9	0	0	0	0	117.5
17	G	24.5	Very low	24.2	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	80%	0.803	S	S	*	*				128.2	168.3	81.2	0	0	0	0	0	109.4
18	D	26	Very low	24	Very low	150 Å²	150	133.3 Å²	133.3	80%	0.802	80%	0.802	S	S	*	*			cis	-158.1	166.8	-2.3	-163.3	11.4	0	0	0	111.3
19	M	23.2	Very low	24.1	Very low	159 Å²	159	132.4 Å²	132.4	78%	0.783	80%	0.797	S	S	*	*			trans	28.4	145.2	168.3	-69.4	-161.4	72.5	0	0	124.8
20	V	26.3	Very low	24.5	Very low	127 Å²	127	130.9 Å²	130.9	77%	0.77	80%	0.796	S	S	*	*			trans	-102.7	136.6	170.2	172.2	0	0	0	0	111.9
21	T	23.6	Very low	24.5	Very low	114 Å²	114	134.2 Å²	134.2	70%	0.699	80%	0.799	S	S	*	*			trans	-146.9	123.8	158.5	42.8	0	0	0	0	108.1
22	V	23.1	Very low	24.6	Very low	129 Å²	129	135.8 Å²	135.8	78%	0.782	80%	0.797	S	S	*	*				61	106.1	70.8	-178.7	0	0	0	0	112.3
23	V	24.3	Very low	24.7	Very low	139 Å²	139	136.5 Å²	136.5	84%	0.842	80%	0.797	S	S	*	*			trans	-136	129	169.9	175.1	0	0	0	0	109.1
24	K	22.9	Very low	24.8	Very low	157 Å²	157	136.7 Å²	136.7	68%	0.683	79%	0.793	S	S	*	*			trans	-79.9	162.1	171	-68.4	175.8	160.5	-164.9	0	111.2	E26	K24-E26 IonicContact NZ-OE1 2.73Å; K24-E26 PolarHBondContact NZ-OE1 3.21Å
25	T	24.8	Very low	24.8	Very low	148 Å²	148	138.8 Å²	138.8	91%	0.908	78%	0.784	S	S	*	*			trans	-132.6	135.6	148.2	17.5	0	0	0	0	110.2
26	E	22.2	Very low	24.8	Very low	154 Å²	154	145.5 Å²	145.5	72%	0.72	79%	0.793	S	S	*	*			trans	-112.8	171.7	179.3	-74	174.2	-174.8	0	0	110.4	K24	K24-E26 IonicContact NZ-OE1 2.73Å; K24-E26 PolarHBondContact NZ-OE1 3.21Å
27	V	24.7	Very low	24.8	Very low	147 Å²	147	141.8 Å²	141.8	89%	0.891	79%	0.785	S	S	*	*			trans	-80.7	136.9	-170	174.7	0	0	0	0	112.6
28	C	21.2	Very low	24.7	Very low	127 Å²	127	147.5 Å²	147.5	86%	0.858	79%	0.792	S	S	*	*			trans	-159.6	161.1	139.1	-141.8	0	0	0	0	113.7
29	S	23.1	Very low	25.6	Very low	97 Å²	97	145 Å²	145	68%	0.678	78%	0.784	S	S	*	*			trans	-105.9	161	-174.6	52.1	0	0	0	0	113.5
30	P	31.5	Very low	25.5	Very low	125 Å²	125	143.4 Å²	143.4	81%	0.812	79%	0.787	S	S	*	*			trans	-84.2	143.7	172.1	34	-33.5	0	0	0	112.8
31	L	24.3	Very low	25.5	Very low	168 Å²	168	142.5 Å²	142.5	88%	0.88	79%	0.786	S	S	*	*			trans	-122.5	159.3	164.8	-86.5	170.2	0	0	0	109.5
32	R	26.8	Very low	25.5	Very low	229 Å²	229	148.7 Å²	148.7	86%	0.864	80%	0.797	S	S	*	*			trans	-150.1	100.3	164.8	-132.9	179.8	-173.3	-173.3	3.4	112
33	D	26.9	Very low	25.7	Very low	126 Å²	126	153.9 Å²	153.9	67%	0.674	80%	0.802	S	S	*	*			trans	46.8	114.8	138.9	-42.9	-27.4	0	0	0	120.5
34	Q	27.2	Very low	26.7	Very low	158 Å²	158	152.3 Å²	152.3	74%	0.738	80%	0.795	S	S	*	*				25.8	147.1	114.8	-72.8	170.8	-74.1	0	0	119.3
35	E	22.7	Very low	26.7	Very low	147 Å²	147	151.8 Å²	151.8	69%	0.687	80%	0.8	S	S	*	*			cis	-164.3	161.1	16.6	-138.4	162.7	-138.5	0	0	111.5
36	Y	25.9	Very low	26.8	Very low	231 Å²	231	148.9 Å²	148.9	91%	0.906	79%	0.785	S	S	*	*			trans	159.4	150	135.9	-107.6	-89	0	0	0	114.3
37	G	25.1	Very low	26.9	Very low	73 Å²	73	147 Å²	147	75%	0.753	79%	0.789	S	S	*	*			trans	107	125.1	145.9	0	0	0	0	0	118.3
38	Q	24	Very low	26.9	Very low	193 Å²	193	144 Å²	144	90%	0.902	78%	0.779	S	S	*	*			trans	-135.1	-171.1	177.2	-135.7	-165.5	11.7	0	0	110.3
39	P	43	Very low	27.1	Very low	98 Å²	98	145.6 Å²	145.6	64%	0.636	78%	0.776	S	S	*	*				-126.5	171.3	-109.7	43.6	-29.4	0	0	0	118.6
40	C	22.5	Very low	27.1	Very low	124 Å²	124	148 Å²	148	84%	0.838	78%	0.777	S	S	*	*			trans	79.2	134.4	143.2	-86.2	0	0	0	0	124.2
41	S	25.7	Very low	26.7	Very low	109 Å²	109	148 Å²	148	76%	0.762	78%	0.775	S	S	*	*			trans	90.6	113	137.8	-160.6	0	0	0	0	121.3
42	R	24.5	Very low	26.8	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.921	77%	0.768	S	S	*	*				-164.9	169.7	103.1	-100.2	171	-175.7	-174.3	1.5	112.9
43	R	27.4	Very low	26.9	Very low	238 Å²	238	141.8 Å²	141.8	90%	0.898	76%	0.76	S	S	*	*			trans	-133.8	-177.1	-171.4	-104.7	-167.6	-171.5	-174	4	108.8
44	P	44.8	Very low	27.2	Very low	106 Å²	106	144.8 Å²	144.8	69%	0.688	77%	0.767	S	S	*	*			cis	-123.9	-146.6	8.3	37.9	-15.8	0	0	0	111
45	D	22.8	Very low	27.1	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	77%	0.772	S	S	*	*			cis	-162.2	178.6	0.9	-128.5	-30.4	0	0	0	108.2
46	S	26.4	Very low	27.2	Very low	86 Å²	86	147.2 Å²	147.2	60%	0.601	78%	0.78	S	S	*	*			cis	-158.2	170.5	-4.1	62.2	0	0	0	0	111.4
47	S	24.7	Very low	27.1	Very low	114 Å²	114	146.9 Å²	146.9	80%	0.797	78%	0.783	S	S	*	*			trans	67.9	132.5	158.8	75.2	0	0	0	0	119.9
48	A	23.9	Very low	27.2	Very low	84 Å²	84	146.6 Å²	146.6	69%	0.694	78%	0.78	S	S	*	*			cis	-156.9	139.5	-19.4	0	0	0	0	0	111.4
49	M	25	Very low	27.6	Very low	161 Å²	161	146.1 Å²	146.1	79%	0.793	78%	0.775	S	S	*	*			trans	38.7	135.8	137.7	-58.4	177.6	89.5	0	0	120
50	E	23.5	Very low	26.9	Very low	148 Å²	148	152.5 Å²	152.5	69%	0.692	79%	0.787	S	S	*	*			cis	-172.5	178.4	-7.1	-135.9	160.6	-101	0	0	106.8
51	V	24.4	Very low	27.3	Very low	126 Å²	126	152.9 Å²	152.9	76%	0.764	78%	0.78	S	S	*	*			cis	-146.4	172.7	11.7	-149.2	0	0	0	0	109.3
52	E	25.4	Very low	27.4	Very low	159 Å²	159	155.5 Å²	155.5	74%	0.743	79%	0.785	S	S	*	*			trans	-112.6	161.5	164.4	-122.4	-149.9	-111.4	0	0	110.3	K54	E52-K54 PolarHBondContact OE2-N 2.79Å
53	P	29.3	Very low	27.6	Very low	107 Å²	107	151.7 Å²	151.7	70%	0.695	78%	0.781	S	S	*	*				-149.5	165.5	53.5	40	-18.6	0	0	0	120.1
54	K	32.7	Very low	27.4	Very low	189 Å²	189	147.9 Å²	147.9	82%	0.822	78%	0.775	S	S	*	*			trans	42.3	97.3	154.4	-70.3	-177.6	175.5	178.2	0	119.5	E52	E52-K54 PolarHBondContact OE2-N 2.79Å
55	K	24.9	Very low	26.6	Very low	193 Å²	193	148.7 Å²	148.7	84%	0.839	78%	0.781	S	S	*	*			trans	-144.1	137.3	155.5	-77.7	-168.4	177.5	173.6	0	115.5
56	L	25	Very low	26.7	Very low	162 Å²	162	149.7 Å²	149.7	85%	0.848	78%	0.778	S	S	*	*			trans	34.5	118.3	142.6	-63.4	159.7	0	0	0	119.8	G58	L56-G58 PolarHBondContact O-N 3.3Å; L56-G58 VanDerWaalsContact O-N 3.1Å
57	K	24.6	Very low	26.7	Very low	224 Å²	224	150.3 Å²	150.3	97%	0.974	78%	0.782	S	S	*	*			trans	-68.7	101.2	157.5	-82.9	-172.1	173.1	-178.9	0	110
58	G	26.9	Very low	26.8	Very low	68 Å²	68	155.3 Å²	155.3	70%	0.701	79%	0.79	S	S	*	*			trans	-78.4	161.5	167.6	0	0	0	0	0	112.8	L56	L56-G58 PolarHBondContact O-N 3.3Å; L56-G58 VanDerWaalsContact O-N 3.1Å
59	K	33	Very low	27.4	Very low	182 Å²	182	157 Å²	157	79%	0.791	78%	0.784	S	S	*	*			trans	-50.4	139.5	-174.7	-65.3	-177.3	170.2	-162.8	0	114.7	D61	K59-D61 IonicContact NZ-OD1 2.72Å
60	R	27.5	Very low	28.5	Very low	233 Å²	233	154.3 Å²	154.3	88%	0.879	77%	0.769	S	S	*	*			trans	-125.4	128.8	131.8	-75	-175.8	174.6	171.2	-2.5	106.2	L62	R60-L62 PolarHBondContact O-N 3.06Å
61	D	30.6	Very low	30.1	Very low	131 Å²	131	151.2 Å²	151.2	70%	0.701	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-71.1	117.6	-172.5	-56.5	-78.1	0	0	0	110	K59	K59-D61 IonicContact NZ-OD1 2.72Å
62	L	27.6	Very low	32.6	Very low	165 Å²	165	146 Å²	146	86%	0.864	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-94.7	130.7	177.2	-82.2	165.5	0	0	0	109.3	R60 M64	R60-L62 PolarHBondContact O-N 3.06Å; L62-M64 PolarHBondContact O-N 3.12Å
63	I	28.4	Very low	35.4	Very low	164 Å²	164	143.9 Å²	143.9	84%	0.841	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.6	-176	-63.5	164	0	0	0	109
64	M	23.6	Very low	38.3	Very low	157 Å²	157	140.2 Å²	140.2	77%	0.773	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-64	142	171.9	-72.7	-67.4	-173.9	0	0	110.3	L62 K66	L62-M64 PolarHBondContact O-N 3.12Å; M64-K66 PolarHBondContact O-N 3.2Å
65	P	27.7	Very low	41.1	Very low	124 Å²	124	133.1 Å²	133.1	81%	0.805	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-55.1	123.6	157.7	-17.6	31	0	0	0	107.9	S67	P65-S67 PolarHBondContact O-N 3.13Å
66	K	25.5	Very low	44.3	Very low	166 Å²	166	124.5 Å²	124.5	72%	0.722	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-65.6	135.6	-179.7	-68.5	-175.9	170.5	-164.4	0	109.5	M64	M64-K66 PolarHBondContact O-N 3.2Å
67	S	25.6	Very low	47.4	Very low	99 Å²	99	117.2 Å²	117.2	69%	0.692	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-57.1	156.1	153.1	48	0	0	0	0	109.6	P65 Q69	P65-S67 PolarHBondContact O-N 3.13Å; S67-Q69 PolarHBondContact O-N 3.14Å
68	F	28	Very low	50.5	Low	220 Å²	220	109.7 Å²	109.7	97%	0.965	56%	0.559	S	S	*	*			trans	-61	99.9	172.4	-80.9	-88.4	0	0	0	109.1	Q70	F68-Q70 PolarHBondContact O-N 2.94Å
69	Q	35.9	Very low	53.4	Low	120 Å²	120	108.3 Å²	108.3	56%	0.561	54%	0.539	S	S	*	.			trans	-66.8	122.8	171.7	-59.8	-170.3	-95.2	0	0	106.8	S67 V71	S67-Q69 PolarHBondContact O-N 3.14Å; Q69-V71 WeakPolarHBondContact O-CG2 3.36Å; Q69-V71 PolarHBondContact O-N 2.78Å
70	Q	48.3	Very low	56	Low	104 Å²	104	104.7 Å²	104.7	49%	0.486	52%	0.524	S	S	.	.			trans	-61.5	99.2	172.1	-169.9	177.8	42.1	0	0	108.1	F68 D72	F68-Q70 PolarHBondContact O-N 2.94Å; Q70-D72 PolarHBondContact O-N 3.46Å
71	V	57.5	Low	58.8	Low	82 Å²	82	98.9 Å²	98.9	50%	0.497	51%	0.507	S	S	.	.			trans	-79.8	112	176.5	-176.1	0	0	0	0	107	Q69 F73 V84	Q69-V71 WeakPolarHBondContact O-CG2 3.36Å; Q69-V71 PolarHBondContact O-N 2.78Å; V71-F73 WeakPolarHBondContact O-CD2 3.5Å; V71-F73 WeakPolarHBondContact O-CE2 3.03Å; V71-V84 HydrophobicContact CG1-CG1 4.07Å
72	D	76.2	Confident	61.5	Low	18 Å²	18	98.2 Å²	98.2	10%	0.096	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-72.2	137.6	166.6	-73	-50.5	0	0	0	108.7	Q70 H203 S204 R232	Q70-D72 PolarHBondContact O-N 3.46Å; D72-H203 VanDerWaalsContact CB-CD2 3.43Å; D72-H203 WeakPolarHBondContact CB-CD2 3.1Å; D72-H203 WeakPolarHBondContact CB-NE2 3.5Å; D72-H203 PolarHBondContact O-NE2 3.4Å; D72-S204 WeakPolarHBondContact OD2-CA 3.12Å; D72-S204 PolarHBondContact OD2-N 2.9Å; D72-R232 IonicContact OD1-CZ 2.86Å; D72-R232 IonicContact OD1-NH1 2.84Å; D72-R232 PolarHBondContact OD1-NH1 3.23Å; D72-R232 IonicContact OD1-NH2 3.1Å; D72-R232 PolarHBondContact OD1-NH2 3.25Å; D72-R232 IonicContact OD2-NH1 3.56Å
73	F	85	Confident	64.3	Low	114 Å²	114	91.2 Å²	91.2	50%	0.5	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-102.1	147.7	179	-64.2	-99.2	0	0	0	110	V71 Y82 V84	V71-F73 WeakPolarHBondContact O-CD2 3.5Å; V71-F73 WeakPolarHBondContact O-CE2 3.03Å; F73-Y82 HydrophobicContact CB-CD1 4.06Å; F73-V84 HydrophobicContact CD1-CG2 3.77Å; F73-V84 HydrophobicContact CE1-CG2 3.58Å
74	W	89.9	Confident	66.8	Low	30 Å²	30	86.6 Å²	86.6	11%	0.114	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	162.3	163.5	-54.8	108.7	0	0	0	110.4	Y82 F83 V84 P93 F95 I141 F201 H203	W74-Y82 CarbonylContact O-C 3.57Å; W74-Y82 VanDerWaalsContact O-CA 3.27Å; W74-Y82 WeakPolarHBondContact O-CA 3.48Å; W74-F83 HydrophobicContact CB-CD1 4.19Å; W74-F83 HydrophobicContact CB-CD2 3.99Å; W74-F83 HydrophobicContact CB-CE1 3.78Å; W74-F83 HydrophobicContact CB-CE2 3.58Å; W74-F83 HydrophobicContact CB-CG 4.31Å; W74-F83 HydrophobicContact CB-CZ 3.48Å; W74-F83 VanDerWaalsContact CB-CZ 3.48Å; W74-F83 AromaticContact CD1-CE2 3.85Å; W74-F83 HydrophobicContact CG-CE2 4Å; W74-F83 HydrophobicContact CG-CZ 4.23Å; W74-F83 PolarHBondContact N-O 3.15Å; W74-F83 PolarHBondContact O-N 2.87Å; W74-V84 PolarHBondContact NE1-O 3.19Å; W74-P93 HydrophobicContact CB-CG 4.25Å; W74-P93 HydrophobicContact CD2-CG 3.84Å; W74-P93 HydrophobicContact CE3-CG 4.48Å; W74-P93 HydrophobicContact CG-CG 3.68Å; W74-F95 HydrophobicContact CE3-CZ 4.36Å; W74-F95 AromaticContact CH2-CE1 3.87Å; W74-F95 HydrophobicContact CH2-CE1 3.87Å; W74-F95 AromaticContact CH2-CZ 3.46Å; W74-F95 HydrophobicContact CH2-CZ 3.46Å; W74-F95 VanDerWaalsContact CH2-CZ 3.46Å; W74-F95 AromaticContact CZ2-CZ 3.74Å; W74-F95 HydrophobicContact CZ2-CZ 3.74Å; W74-F95 HydrophobicContact CZ3-CE1 4.07Å; W74-F95 AromaticContact CZ3-CZ 3.79Å; W74-F95 HydrophobicContact CZ3-CZ 3.79Å; W74-I141 HydrophobicContact CE3-CD1 4.07Å; W74-I141 HydrophobicContact CZ3-CD1 4.32Å; W74-F201 AromaticContact CE3-CE2 3.9Å; W74-F201 HydrophobicContact CE3-CE2 3.9Å; W74-F201 HydrophobicContact CE3-CZ 4.13Å; W74-F201 AromaticContact CZ3-CE2 3.81Å; W74-F201 HydrophobicContact CZ3-CE2 3.81Å; W74-F201 AromaticContact CZ3-CZ 3.94Å; W74-F201 HydrophobicContact CZ3-CZ 3.94Å; W74-H203 AromaticContact CD2-CD2 3.89Å; W74-H203 AromaticContact CD2-NE2 3.83Å; W74-H203 AromaticContact CE2-CD2 3.94Å; W74-H203 AromaticContact CE2-CE1 3.73Å; W74-H203 AromaticContact CE2-NE2 3.47Å; W74-H203 AromaticContact CE3-CD2 3.78Å; W74-H203 HydrophobicContact CH2-CB 4.13Å; W74-H203 AromaticContact CH2-CD2 3.78Å; W74-H203 AromaticContact CH2-CE1 3.6Å; W74-H203 AromaticContact CH2-CG 3.52Å; W74-H203 AromaticContact CH2-ND1 3.39Å; W74-H203 WeakPolarHBondContact CH2-ND1 3.34Å; W74-H203 AromaticContact CH2-NE2 3.86Å; W74-H203 AromaticContact CZ2-CD2 3.9Å; W74-H203 AromaticContact CZ2-CE1 3.27Å; W74-H203 WeakPolarHBondContact CZ2-CE1 3.25Å; W74-H203 AromaticContact CZ2-CG 3.98Å; W74-H203 AromaticContact CZ2-ND1 3.59Å; W74-H203 AromaticContact CZ2-NE2 3.5Å; W74-H203 WeakPolarHBondContact CZ2-NE2 3.36Å; W74-H203 HydrophobicContact CZ3-CB 3.97Å; W74-H203 AromaticContact CZ3-CD2 3.73Å; W74-H203 AromaticContact CZ3-CG 3.65Å; W74-H203 AromaticContact NE1-NE2 3.92Å
75	F	91.8	Very high	69.5	Low	40 Å²	40	84.9 Å²	84.9	18%	0.175	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.2	176	-179.1	-61.8	0	0	0	109.4	E77 Q80 Y82	F75-E77 PolarHBondContact O-N 3.26Å; F75-Q80 HydrophobicContact CE1-CB 4.31Å; F75-Q80 HydrophobicContact CZ-CB 4.07Å; F75-Y82 HydrophobicContact CB-CD1 4.24Å; F75-Y82 HydrophobicContact CB-CE1 4.36Å; F75-Y82 HydrophobicContact CD2-CD1 4.13Å; F75-Y82 HydrophobicContact CD2-CD2 4.33Å; F75-Y82 AromaticContact CD2-CE1 3.78Å; F75-Y82 HydrophobicContact CD2-CE1 3.78Å; F75-Y82 AromaticContact CD2-CE2 3.96Å; F75-Y82 HydrophobicContact CD2-CE2 3.96Å; F75-Y82 HydrophobicContact CD2-CG 4.41Å; F75-Y82 AromaticContact CD2-CZ 3.69Å; F75-Y82 HydrophobicContact CE2-CE2 4.23Å
76	C	92	Very high	72.4	Confident	11 Å²	11	85 Å²	85	7%	0.074	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.4	177.3	-179.2	0	0	0	0	110.5	S78 C79 Q80 E81 F83 C87 H90	C76-S78 PolarHBondContact O-N 3.31Å; C76-C79 HydrophobicContact CB-CB 4.1Å; C76-C79 PolarHBondContact O-N 3.42Å; C76-C79 VanDerWaalsContact O-N 3.12Å; C76-Q80 WeakPolarHBondContact O-CA 3.49Å; C76-Q80 PolarHBondContact O-N 3.42Å; C76-E81 PolarHBondContact N-O 2.86Å; C76-F83 HydrophobicContact CB-CD1 4.01Å; C76-F83 HydrophobicContact CB-CE1 3.73Å; C76-C87 HydrophobicContact CB-CB 4.06Å; C76-C87 VanDerWaalsContact CB-SG 3.57Å; C76-C87 PolarHBondContact SG-SG 3.35Å; C76-H90 PolarHBondContact SG-ND1 3.25Å; C76-H90 VanDerWaalsContact SG-ND1 3.4Å
77	E	89.3	Confident	75.4	Confident	10 Å²	10	77.5 Å²	77.5	5%	0.047	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	177.9	-92	-66.5	175.4	0	0	113.6	F75 Q80 K138 R210	F75-E77 PolarHBondContact O-N 3.26Å; E77-Q80 PolarHBondContact O-NE2 3.23Å; E77-Q80 PolarHBondContact OE2-NE2 3.05Å; E77-K138 VanDerWaalsContact C-CE 3.44Å; E77-K138 HydrophobicContact CB-CD 4.48Å; E77-K138 HydrophobicContact CB-CG 3.98Å; E77-K138 WeakPolarHBondContact O-CE 3.46Å; E77-K138 PolarHBondContact O-NZ 3.2Å; E77-K138 WeakPolarHBondContact OE2-CE 3.23Å; E77-K138 IonicContact OE2-NZ 3.3Å; E77-K138 PolarHBondContact OE2-NZ 3.22Å; E77-K138 VanDerWaalsContact OE2-NZ 3.14Å; E77-R210 HydrophobicContact CG-CG 4.41Å; E77-R210 IonicContact OE1-CZ 2.71Å; E77-R210 IonicContact OE1-NE 3.05Å; E77-R210 PolarHBondContact OE1-NE 2.88Å; E77-R210 IonicContact OE1-NH1 3.11Å; E77-R210 PolarHBondContact OE1-NH1 3.05Å; E77-R210 IonicContact OE1-NH2 3.48Å; E77-R210 PolarHBondContact OE1-NH2 2.82Å; E77-R210 VanDerWaalsContact OE1-NH2 3.13Å
78	S	90.5	Very high	78.2	Confident	66 Å²	66	78.6 Å²	78.6	46%	0.462	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.7	178.1	-59.6	0	0	0	0	114.2	C76 H90	C76-S78 PolarHBondContact O-N 3.31Å; S78-H90 WeakPolarHBondContact CB-CE1 3.38Å; S78-H90 WeakPolarHBondContact CB-NE2 3.43Å
79	C	87.3	Confident	80.7	Confident	39 Å²	39	73.4 Å²	73.4	26%	0.264	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-19.5	175.4	-70.4	0	0	0	0	114	C76 E81 N89 H90	C76-C79 HydrophobicContact CB-CB 4.1Å; C76-C79 PolarHBondContact O-N 3.42Å; C76-C79 VanDerWaalsContact O-N 3.12Å; C79-E81 VanDerWaalsContact C-N 3.27Å; C79-E81 HydrophobicContact CB-CB 4.02Å; C79-E81 HydrophobicContact CB-CG 4.37Å; C79-N89 PolarHBondContact SG-ND2 3.42Å; C79-H90 PolarHBondContact SG-CE1 2.97Å; C79-H90 PolarHBondContact SG-ND1 3.24Å
80	Q	88.8	Confident	83.2	Confident	105 Å²	105	72.8 Å²	72.8	49%	0.491	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	36	-166.1	-58.5	-68.9	-61.7	0	0	113.5	F75 C76 E77	F75-Q80 HydrophobicContact CE1-CB 4.31Å; F75-Q80 HydrophobicContact CZ-CB 4.07Å; C76-Q80 WeakPolarHBondContact O-CA 3.49Å; C76-Q80 PolarHBondContact O-N 3.42Å; E77-Q80 PolarHBondContact O-NE2 3.23Å; E77-Q80 PolarHBondContact OE2-NE2 3.05Å
81	E	84.6	Confident	85.2	Confident	111 Å²	111	68.9 Å²	68.9	52%	0.519	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.5	-172.4	-75.8	-67.4	176	0	0	112.6	C76 C79	C76-E81 PolarHBondContact N-O 2.86Å; C79-E81 VanDerWaalsContact C-N 3.27Å; C79-E81 HydrophobicContact CB-CB 4.02Å; C79-E81 HydrophobicContact CB-CG 4.37Å
82	Y	87.6	Confident	86.8	Confident	117 Å²	117	68.4 Å²	68.4	46%	0.459	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	153.7	-178.1	-64.2	-92.2	0	0	0	113.6	F73 W74 F75 D228	F73-Y82 HydrophobicContact CB-CD1 4.06Å; W74-Y82 CarbonylContact O-C 3.57Å; W74-Y82 VanDerWaalsContact O-CA 3.27Å; W74-Y82 WeakPolarHBondContact O-CA 3.48Å; F75-Y82 HydrophobicContact CB-CD1 4.24Å; F75-Y82 HydrophobicContact CB-CE1 4.36Å; F75-Y82 HydrophobicContact CD2-CD1 4.13Å; F75-Y82 HydrophobicContact CD2-CD2 4.33Å; F75-Y82 AromaticContact CD2-CE1 3.78Å; F75-Y82 HydrophobicContact CD2-CE1 3.78Å; F75-Y82 AromaticContact CD2-CE2 3.96Å; F75-Y82 HydrophobicContact CD2-CE2 3.96Å; F75-Y82 HydrophobicContact CD2-CG 4.41Å; F75-Y82 AromaticContact CD2-CZ 3.69Å; F75-Y82 HydrophobicContact CE2-CE2 4.23Å; Y82-D228 PolarHBondContact OH-OD1 2.94Å; Y82-D228 PolarHBondContact OH-OD2 3.5Å
83	F	87.6	Confident	87.7	Confident	19 Å²	19	68.6 Å²	68.6	8%	0.083	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	162	173.7	64	-87.7	0	0	0	112.2	W74 C76 D85 E86 C87 P93	W74-F83 HydrophobicContact CB-CD1 4.19Å; W74-F83 HydrophobicContact CB-CD2 3.99Å; W74-F83 HydrophobicContact CB-CE1 3.78Å; W74-F83 HydrophobicContact CB-CE2 3.58Å; W74-F83 HydrophobicContact CB-CG 4.31Å; W74-F83 HydrophobicContact CB-CZ 3.48Å; W74-F83 VanDerWaalsContact CB-CZ 3.48Å; W74-F83 AromaticContact CD1-CE2 3.85Å; W74-F83 HydrophobicContact CG-CE2 4Å; W74-F83 HydrophobicContact CG-CZ 4.23Å; W74-F83 PolarHBondContact N-O 3.15Å; W74-F83 PolarHBondContact O-N 2.87Å; C76-F83 HydrophobicContact CB-CD1 4.01Å; C76-F83 HydrophobicContact CB-CE1 3.73Å; F83-D85 WeakPolarHBondContact CE2-O 3.28Å; F83-E86 WeakPolarHBondContact CB-O 3.34Å; F83-C87 HydrophobicContact CD1-CB 3.82Å; F83-C87 HydrophobicContact CE1-CB 3.81Å; F83-C87 HydrophobicContact CE2-CB 4.48Å; F83-C87 HydrophobicContact CG-CB 4.17Å; F83-C87 HydrophobicContact CZ-CB 4.13Å; F83-P93 HydrophobicContact CE2-CG 3.81Å; F83-P93 HydrophobicContact CZ-CB 4.38Å; F83-P93 HydrophobicContact CZ-CG 3.84Å
84	V	80.4	Confident	88.2	Confident	66 Å²	66	66.8 Å²	66.8	40%	0.4	36%	0.36	S	S	.	.	S	Bend	trans	-88.4	-57.3	-176.7	-178.8	0	0	0	0	111.6	V71 F73 W74	V71-V84 HydrophobicContact CG1-CG1 4.07Å; F73-V84 HydrophobicContact CD1-CG2 3.77Å; F73-V84 HydrophobicContact CE1-CG2 3.58Å; W74-V84 PolarHBondContact NE1-O 3.19Å
85	D	80.9	Confident	88.4	Confident	121 Å²	121	69.5 Å²	69.5	65%	0.647	37%	0.373	S	S	*	.	S	Bend	trans	-118.3	-49.5	-178.3	-61.1	-65.1	0	0	0	112	F83 P93	F83-D85 WeakPolarHBondContact CE2-O 3.28Å; D85-P93 WeakPolarHBondContact O-CD 3.41Å
86	E	88.6	Confident	88.6	Confident	128 Å²	128	69.4 Å²	69.4	60%	0.598	38%	0.376	S	S	*	.			trans	-131.3	143.5	180	-55.5	-168.4	155.3	0	0	112.6	F83 P92	F83-E86 WeakPolarHBondContact CB-O 3.34Å; E86-P92 HydrophobicContact CG-CB 4.08Å
87	C	87.9	Confident	88.7	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.054	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-78.5	125.7	171.2	178.8	0	0	0	0	110.1	C76 F83 N89 H90 G91	C76-C87 HydrophobicContact CB-CB 4.06Å; C76-C87 VanDerWaalsContact CB-SG 3.57Å; C76-C87 PolarHBondContact SG-SG 3.35Å; F83-C87 HydrophobicContact CD1-CB 3.82Å; F83-C87 HydrophobicContact CE1-CB 3.81Å; F83-C87 HydrophobicContact CE2-CB 4.48Å; F83-C87 HydrophobicContact CG-CB 4.17Å; F83-C87 HydrophobicContact CZ-CB 4.13Å; C87-N89 PolarHBondContact O-N 2.92Å; C87-H90 HydrophobicContact CB-CB 4.17Å; C87-H90 PolarHBondContact O-N 3.01Å; C87-H90 VanDerWaalsContact O-N 3.11Å; C87-G91 WeakPolarHBondContact CB-O 3.28Å; C87-G91 PolarHBondContact N-O 3.32Å; C87-G91 PolarHBondContact O-N 3.22Å
88	P	83.4	Confident	89.1	Confident	122 Å²	122	74.7 Å²	74.7	79%	0.792	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.8	-177.7	-28.9	35.8	0	0	0	116.2
89	N	81.3	Confident	89.3	Confident	110 Å²	110	74.2 Å²	74.2	59%	0.588	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-15.9	-177.3	-60	-39.7	0	0	0	113.9	C79 C87	C79-N89 PolarHBondContact SG-ND2 3.42Å; C87-N89 PolarHBondContact O-N 2.92Å
90	H	89.3	Confident	89.6	Confident	107 Å²	107	78.5 Å²	78.5	50%	0.495	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.2	-2.6	-167.9	-63.4	102.4	0	0	0	114.5	C76 S78 C79 C87	C76-H90 PolarHBondContact SG-ND1 3.25Å; C76-H90 VanDerWaalsContact SG-ND1 3.4Å; S78-H90 WeakPolarHBondContact CB-CE1 3.38Å; S78-H90 WeakPolarHBondContact CB-NE2 3.43Å; C79-H90 PolarHBondContact SG-CE1 2.97Å; C79-H90 PolarHBondContact SG-ND1 3.24Å; C87-H90 HydrophobicContact CB-CB 4.17Å; C87-H90 PolarHBondContact O-N 3.01Å; C87-H90 VanDerWaalsContact O-N 3.11Å
91	G	89.3	Confident	89.9	Confident	23 Å²	23	74.5 Å²	74.5	24%	0.237	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	80.1	-166	179.4	0	0	0	0	0	114.3	C87	C87-G91 WeakPolarHBondContact CB-O 3.28Å; C87-G91 PolarHBondContact N-O 3.32Å; C87-G91 PolarHBondContact O-N 3.22Å
92	P	92	Very high	90.2	Very high	71 Å²	71	73.7 Å²	73.7	46%	0.461	42%	0.42	S	S	.	.	S	Bend	trans	-63	162	177	25.1	-33.3	0	0	0	112.6	E86 V94	E86-P92 HydrophobicContact CG-CB 4.08Å; P92-V94 PolarHBondContact O-N 2.88Å
93	P	93.2	Very high	90.3	Very high	23 Å²	23	72.9 Å²	72.9	15%	0.149	43%	0.427	C	S	.	.			trans	-68	133.3	174.9	-0.2	15.5	0	0	0	110.1	W74 F83 D85 F95 I141	W74-P93 HydrophobicContact CB-CG 4.25Å; W74-P93 HydrophobicContact CD2-CG 3.84Å; W74-P93 HydrophobicContact CE3-CG 4.48Å; W74-P93 HydrophobicContact CG-CG 3.68Å; F83-P93 HydrophobicContact CE2-CG 3.81Å; F83-P93 HydrophobicContact CZ-CB 4.38Å; F83-P93 HydrophobicContact CZ-CG 3.84Å; D85-P93 WeakPolarHBondContact O-CD 3.41Å; P93-F95 HydrophobicContact CB-CD2 4.47Å; P93-F95 HydrophobicContact CB-CE2 3.74Å; P93-F95 HydrophobicContact CB-CZ 4.07Å; P93-F95 HydrophobicContact CG-CE2 3.94Å; P93-F95 HydrophobicContact CG-CZ 4.25Å; P93-F95 VanDerWaalsContact O-CD2 3.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.43Å; P93-F95 WeakPolarHBondContact O-CE2 2.85Å; P93-F95 PolarHBondContact O-N 3.37Å; P93-I141 HydrophobicContact CB-CD1 3.52Å; P93-I141 HydrophobicContact CB-CG1 4.47Å
94	V	95.5	Very high	90.3	Very high	76 Å²	76	74.3 Å²	74.3	46%	0.461	45%	0.447	S	S	.	.			trans	-86.9	109.4	179	-173.2	0	0	0	0	109.7	P92 H140 I141	P92-V94 PolarHBondContact O-N 2.88Å; V94-H140 WeakPolarHBondContact CG1-NE2 3.44Å; V94-I141 PolarHBondContact O-N 3.44Å
95	F	95.6	Very high	90.8	Very high	87 Å²	87	74.2 Å²	74.2	38%	0.382	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.1	175.7	-64.9	-91.4	0	0	0	110.9	W74 P93 I141 Y208	W74-F95 HydrophobicContact CE3-CZ 4.36Å; W74-F95 AromaticContact CH2-CE1 3.87Å; W74-F95 HydrophobicContact CH2-CE1 3.87Å; W74-F95 AromaticContact CH2-CZ 3.46Å; W74-F95 HydrophobicContact CH2-CZ 3.46Å; W74-F95 VanDerWaalsContact CH2-CZ 3.46Å; W74-F95 AromaticContact CZ2-CZ 3.74Å; W74-F95 HydrophobicContact CZ2-CZ 3.74Å; W74-F95 HydrophobicContact CZ3-CE1 4.07Å; W74-F95 AromaticContact CZ3-CZ 3.79Å; W74-F95 HydrophobicContact CZ3-CZ 3.79Å; P93-F95 HydrophobicContact CB-CD2 4.47Å; P93-F95 HydrophobicContact CB-CE2 3.74Å; P93-F95 HydrophobicContact CB-CZ 4.07Å; P93-F95 HydrophobicContact CG-CE2 3.94Å; P93-F95 HydrophobicContact CG-CZ 4.25Å; P93-F95 VanDerWaalsContact O-CD2 3.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.43Å; P93-F95 WeakPolarHBondContact O-CE2 2.85Å; P93-F95 PolarHBondContact O-N 3.37Å; F95-I141 WeakPolarHBondContact CA-O 3.25Å; F95-I141 HydrophobicContact CD1-CB 3.97Å; F95-I141 HydrophobicContact CD1-CG2 3.85Å; F95-I141 HydrophobicContact CE1-CB 4.07Å; F95-I141 HydrophobicContact CE1-CD1 4.31Å; F95-I141 HydrophobicContact CE1-CG2 3.69Å; F95-I141 HydrophobicContact CZ-CD1 4.28Å; F95-Y208 HydrophobicContact CE1-CD1 4.41Å; F95-Y208 HydrophobicContact CE1-CE1 4.27Å
96	V	95.8	Very high	91.2	Very high	37 Å²	37	73.7 Å²	73.7	22%	0.224	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.5	167.3	-176.2	0	0	0	0	107.9	P114 H140 I141 F142	V96-P114 HydrophobicContact CG1-CB 3.65Å; V96-P114 HydrophobicContact CG1-CG 4.11Å; V96-H140 HydrophobicContact CG2-CB 4.32Å; V96-I141 PolarHBondContact N-O 3.39Å; V96-F142 HydrophobicContact CB-CD1 3.73Å; V96-F142 HydrophobicContact CB-CE1 3.5Å; V96-F142 HydrophobicContact CB-CZ 4.37Å; V96-F142 HydrophobicContact CG1-CD1 4.2Å; V96-F142 HydrophobicContact CG1-CE1 3.8Å; V96-F142 HydrophobicContact CG2-CD1 4.25Å; V96-F142 HydrophobicContact CG2-CE1 3.61Å; V96-F142 HydrophobicContact CG2-CZ 3.99Å
97	S	94.1	Very high	91.3	Very high	98 Å²	98	71 Å²	71	69%	0.685	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-71.7	137.8	179.4	-58.6	0	0	0	0	112.2
98	D	96.5	Very high	91.6	Very high	35 Å²	35	71.4 Å²	71.4	19%	0.187	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.3	165.3	-76.2	22.1	0	0	0	111.5	N182 W183	D98-N182 VanDerWaalsContact OD2-CB 3.28Å; D98-N182 WeakPolarHBondContact OD2-CB 3.36Å; D98-N182 PolarHBondContact OD2-ND2 3.22Å; D98-W183 VanDerWaalsContact CG-NE1 3.27Å; D98-W183 PolarHBondContact OD1-NE1 2.91Å; D98-W183 PolarHBondContact OD2-NE1 3.11Å
99	T	95.4	Very high	92.2	Very high	56 Å²	56	65.6 Å²	65.6	34%	0.344	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64.3	128.9	170.7	-68.4	0	0	0	0	109	V101 L111 T112 I113	T99-V101 HydrophobicContact CG2-CG2 4.33Å; T99-V101 PolarHBondContact O-N 3.41Å; T99-V101 VanDerWaalsContact O-N 3.11Å; T99-L111 WeakPolarHBondContact CB-O 3.24Å; T99-L111 WeakPolarHBondContact CG2-O 3.23Å; T99-T112 PolarHBondContact N-O 3.41Å; T99-I113 WeakPolarHBondContact CB-O 3.44Å; T99-I113 PolarHBondContact OG1-O 3.05Å
100	P	94.3	Very high	92.8	Very high	128 Å²	128	61.2 Å²	61.2	83%	0.831	38%	0.378	S	S	*	.			trans	-75.2	105	-169.8	27.7	-34.9	0	0	0	112.4
101	V	94.5	Very high	93.1	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	38%	0.377	C	S	.	.			trans	-123.8	129.8	-178.6	-173.2	0	0	0	0	112.1	T99 I105 R108 L111 T112	T99-V101 HydrophobicContact CG2-CG2 4.33Å; T99-V101 PolarHBondContact O-N 3.41Å; T99-V101 VanDerWaalsContact O-N 3.11Å; V101-I105 HydrophobicContact CG1-CD1 3.38Å; V101-I105 HydrophobicContact CG1-CG1 3.91Å; V101-R108 HydrophobicContact CB-CG 4.09Å; V101-R108 HydrophobicContact CG1-CB 4.3Å; V101-R108 HydrophobicContact CG1-CG 3.82Å; V101-R108 PolarHBondContact O-NE 2.85Å; V101-R108 PolarHBondContact O-NH2 3.35Å; V101-L111 HydrophobicContact CG1-CB 4.18Å; V101-L111 HydrophobicContact CG2-CB 3.79Å; V101-L111 WeakPolarHBondContact CG2-O 3.42Å; V101-T112 HydrophobicContact CB-CG2 3.87Å; V101-T112 HydrophobicContact CG2-CG2 4.04Å
102	P	90.5	Very high	93.4	Very high	93 Å²	93	59.3 Å²	59.3	60%	0.604	37%	0.366	S	S	*	.			trans	-56.5	138.7	179.6	-26.5	35.1	0	0	0	114.2	I105 R108	P102-I105 HydrophobicContact CB-CG2 4.33Å; P102-R108 WeakPolarHBondContact O-CD 3.48Å
103	V	91.3	Very high	93.6	Very high	100 Å²	100	57.3 Å²	57.3	61%	0.606	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	136.3	174.8	-178.8	0	0	0	0	110.4	K180	V103-K180 HydrophobicContact CG1-CG 4.43Å
104	G	86.2	Confident	93.8	Very high	50 Å²	50	56.3 Å²	56.3	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-2.2	175.8	0	0	0	0	0	115.8	T179	G104-T179 PolarHBondContact N-O 3.14Å
105	I	90.9	Very high	93.5	Very high	63 Å²	63	61.5 Å²	61.5	32%	0.323	36%	0.364	S	S	.	.	S	Bend	trans	-82	150.4	173	77	168.5	0	0	0	111.4	V101 P102 R108 L111 T179	V101-I105 HydrophobicContact CG1-CD1 3.38Å; V101-I105 HydrophobicContact CG1-CG1 3.91Å; P102-I105 HydrophobicContact CB-CG2 4.33Å; I105-R108 HydrophobicContact CG1-CB 3.94Å; I105-R108 PolarHBondContact O-N 2.72Å; I105-L111 HydrophobicContact CD1-CD1 3.98Å; I105-T179 WeakPolarHBondContact O-CA 3.39Å; I105-T179 WeakPolarHBondContact O-CB 3.17Å; I105-T179 WeakPolarHBondContact O-CG2 3.44Å
106	P	90.1	Very high	93.2	Very high	110 Å²	110	58 Å²	58	71%	0.714	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	142.5	170.5	-22.9	34.3	0	0	0	112	R108	P106-R108 PolarHBondContact O-N 3.3Å; P106-R108 VanDerWaalsContact O-N 3.08Å
107	D	90.1	Very high	93.2	Very high	71 Å²	71	56.9 Å²	56.9	38%	0.38	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	25.2	-179.8	-158.4	24.2	0	0	0	115.6	A109 A110 L111	D107-A109 PolarHBondContact O-N 2.84Å; D107-A109 VanDerWaalsContact O-N 3.17Å; D107-A110 PolarHBondContact O-N 3.3Å; D107-A110 VanDerWaalsContact O-N 3.15Å; D107-A110 WeakPolarHBondContact OD1-CB 3.17Å; D107-L111 WeakPolarHBondContact O-CG 3.28Å; D107-L111 PolarHBondContact O-N 3.45Å
108	R	95.4	Very high	93.2	Very high	17 Å²	17	55.5 Å²	55.5	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-47.9	-45.9	173.4	174.9	-173.5	-173.3	-100	1.8	111.2	V101 P102 I105 P106 A110 L111 T112 E146 E178 T179 K180 A181	V101-R108 HydrophobicContact CB-CG 4.09Å; V101-R108 HydrophobicContact CG1-CB 4.3Å; V101-R108 HydrophobicContact CG1-CG 3.82Å; V101-R108 PolarHBondContact O-NE 2.85Å; V101-R108 PolarHBondContact O-NH2 3.35Å; P102-R108 WeakPolarHBondContact O-CD 3.48Å; I105-R108 HydrophobicContact CG1-CB 3.94Å; I105-R108 PolarHBondContact O-N 2.72Å; P106-R108 PolarHBondContact O-N 3.3Å; P106-R108 VanDerWaalsContact O-N 3.08Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-A110 PolarHBondContact O-N 3.12Å; R108-L111 PolarHBondContact O-N 3.49Å; R108-L111 VanDerWaalsContact O-N 3.11Å; R108-T112 HydrophobicContact CG-CG2 4.04Å; R108-T112 WeakPolarHBondContact O-CG2 3.47Å; R108-T112 PolarHBondContact O-N 2.93Å; R108-E146 IonicContact CZ-OE2 3.57Å; R108-E146 IonicContact NH1-OE2 3.75Å; R108-E146 PolarHBondContact NH1-OE2 2.94Å; R108-E146 IonicContact NH2-OE2 2.74Å; R108-E146 PolarHBondContact NH2-OE2 2.88Å; R108-E178 WeakPolarHBondContact CB-O 3.16Å; R108-E178 PolarHBondContact N-O 3.29Å; R108-T179 VanDerWaalsContact CD-O 3.26Å; R108-T179 WeakPolarHBondContact CD-O 3.4Å; R108-K180 PolarHBondContact NH1-O 2.66Å; R108-A181 PolarHBondContact NH1-O 3Å
109	A	94.6	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-53.7	-46.9	-177.6	0	0	0	0	0	112.5	D107 T112 E178 A181 W183 R185 Y186	D107-A109 PolarHBondContact O-N 2.84Å; D107-A109 VanDerWaalsContact O-N 3.17Å; A109-T112 PolarHBondContact O-N 3.38Å; A109-T112 PolarHBondContact O-OG1 2.79Å; A109-E178 HydrophobicContact CB-CB 4.44Å; A109-E178 PolarHBondContact N-O 3.18Å; A109-A181 HydrophobicContact CB-CB 4.46Å; A109-W183 WeakPolarHBondContact O-CA 3.36Å; A109-W183 VanDerWaalsContact O-CB 3.29Å; A109-W183 WeakPolarHBondContact O-CB 3.41Å; A109-W183 PolarHBondContact O-N 3.05Å; A109-R185 VanDerWaalsContact CB-CD 3.48Å; A109-R185 HydrophobicContact CB-CG 4.27Å; A109-Y186 HydrophobicContact CB-CE2 3.9Å
110	A	94.8	Very high	93.1	Very high	18 Å²	18	54.6 Å²	54.6	15%	0.149	32%	0.323	C	S	.	.	H	α-helix	trans	-70.2	-38.6	178.7	0	0	0	0	0	111.5	D107 R108 T112 I113 V119 Y186	D107-A110 PolarHBondContact O-N 3.3Å; D107-A110 VanDerWaalsContact O-N 3.15Å; D107-A110 WeakPolarHBondContact OD1-CB 3.17Å; R108-A110 VanDerWaalsContact C-N 3.34Å; R108-A110 PolarHBondContact O-N 3.12Å; A110-T112 VanDerWaalsContact C-N 3.25Å; A110-T112 PolarHBondContact O-N 2.89Å; A110-I113 WeakPolarHBondContact O-CB 3.38Å; A110-I113 VanDerWaalsContact O-CG2 3.22Å; A110-I113 WeakPolarHBondContact O-CG2 3.48Å; A110-I113 PolarHBondContact O-N 3.33Å; A110-V119 HydrophobicContact CB-CG2 4.49Å; A110-Y186 HydrophobicContact CB-CE2 3.96Å
111	L	94.6	Very high	92.8	Very high	90 Å²	90	54.1 Å²	54.1	47%	0.471	31%	0.308	S	S	.	.	H	α-helix	trans	-66.7	-21.4	-179.6	-62.8	170.6	0	0	0	113.8	T99 V101 I105 D107 R108 I113	T99-L111 WeakPolarHBondContact CB-O 3.24Å; T99-L111 WeakPolarHBondContact CG2-O 3.23Å; V101-L111 HydrophobicContact CG1-CB 4.18Å; V101-L111 HydrophobicContact CG2-CB 3.79Å; V101-L111 WeakPolarHBondContact CG2-O 3.42Å; I105-L111 HydrophobicContact CD1-CD1 3.98Å; D107-L111 WeakPolarHBondContact O-CG 3.28Å; D107-L111 PolarHBondContact O-N 3.45Å; R108-L111 PolarHBondContact O-N 3.49Å; R108-L111 VanDerWaalsContact O-N 3.11Å; L111-I113 PolarHBondContact O-N 3.06Å
112	T	96.8	Very high	92.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.4	174.4	54.4	0	0	0	0	114.8	T99 V101 R108 A109 A110 N182 W183	T99-T112 PolarHBondContact N-O 3.41Å; V101-T112 HydrophobicContact CB-CG2 3.87Å; V101-T112 HydrophobicContact CG2-CG2 4.04Å; R108-T112 HydrophobicContact CG-CG2 4.04Å; R108-T112 WeakPolarHBondContact O-CG2 3.47Å; R108-T112 PolarHBondContact O-N 2.93Å; A109-T112 PolarHBondContact O-N 3.38Å; A109-T112 PolarHBondContact O-OG1 2.79Å; A110-T112 VanDerWaalsContact C-N 3.25Å; A110-T112 PolarHBondContact O-N 2.89Å; T112-N182 HydrophobicContact CG2-CB 4.47Å; T112-N182 VanDerWaalsContact OG1-CA 3.3Å; T112-N182 WeakPolarHBondContact OG1-CA 3.46Å; T112-N182 WeakPolarHBondContact OG1-CB 3.09Å; T112-W183 PolarHBondContact OG1-N 2.93Å
113	I	96.3	Very high	91.5	Very high	28 Å²	28	59.3 Å²	59.3	14%	0.144	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-55.2	132.3	-178	-168	66.4	0	0	0	111.9	T99 A110 L111 M117 V119 V129 W183	T99-I113 WeakPolarHBondContact CB-O 3.44Å; T99-I113 PolarHBondContact OG1-O 3.05Å; A110-I113 WeakPolarHBondContact O-CB 3.38Å; A110-I113 VanDerWaalsContact O-CG2 3.22Å; A110-I113 WeakPolarHBondContact O-CG2 3.48Å; A110-I113 PolarHBondContact O-N 3.33Å; L111-I113 PolarHBondContact O-N 3.06Å; I113-M117 HydrophobicContact CD1-CB 3.67Å; I113-M117 HydrophobicContact CD1-SD 4.3Å; I113-M117 HydrophobicContact CG1-CB 3.74Å; I113-V119 HydrophobicContact CB-CG2 4.1Å; I113-V119 HydrophobicContact CD1-CG2 3.82Å; I113-V119 HydrophobicContact CG1-CG2 4.03Å; I113-V129 HydrophobicContact CD1-CG1 3.7Å; I113-W183 HydrophobicContact CB-CB 4.15Å; I113-W183 HydrophobicContact CB-CG 4.49Å; I113-W183 HydrophobicContact CD1-CB 3.87Å; I113-W183 HydrophobicContact CD1-CD2 3.66Å; I113-W183 HydrophobicContact CD1-CE3 3.46Å; I113-W183 VanDerWaalsContact CD1-CE3 3.46Å; I113-W183 HydrophobicContact CD1-CG 3.85Å; I113-W183 HydrophobicContact CD1-CZ3 4.21Å
114	P	95.8	Very high	90.7	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.013	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-68.7	153.9	178.8	-21.4	33.7	0	0	0	112.9	V96 G116 M117 W183	V96-P114 HydrophobicContact CG1-CB 3.65Å; V96-P114 HydrophobicContact CG1-CG 4.11Å; P114-G116 PolarHBondContact O-N 3.44Å; P114-M117 HydrophobicContact CG-SD 4.42Å; P114-M117 PolarHBondContact O-N 3.38Å; P114-M117 VanDerWaalsContact O-N 3.14Å; P114-W183 VanDerWaalsContact CD-CE2 3.47Å; P114-W183 HydrophobicContact CG-CZ2 3.89Å
115	Q	89.9	Confident	90.1	Very high	185 Å²	185	58.9 Å²	58.9	86%	0.864	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	128.9	174.1	-172.8	175.8	2.9	0	0	110.8
116	G	89.9	Confident	89.6	Confident	14 Å²	14	62.7 Å²	62.7	14%	0.144	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-4.1	-175.8	0	0	0	0	0	114.9	P114 I132	P114-G116 PolarHBondContact O-N 3.44Å; G116-I132 VanDerWaalsContact C-CG1 3.5Å; G116-I132 VanDerWaalsContact O-CG1 3.28Å; G116-I132 WeakPolarHBondContact O-CG1 3.32Å; G116-I132 PolarHBondContact O-N 2.9Å
117	M	95.1	Very high	89.6	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.064	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	163	169.5	-63.6	179.2	170.8	0	0	111.8	I113 P114 V129 R130 I136 F142 W183 L221	I113-M117 HydrophobicContact CD1-CB 3.67Å; I113-M117 HydrophobicContact CD1-SD 4.3Å; I113-M117 HydrophobicContact CG1-CB 3.74Å; P114-M117 HydrophobicContact CG-SD 4.42Å; P114-M117 PolarHBondContact O-N 3.38Å; P114-M117 VanDerWaalsContact O-N 3.14Å; M117-V129 HydrophobicContact CB-CG1 4.4Å; M117-R130 CarbonylContact C-O 3.49Å; M117-R130 VanDerWaalsContact CA-O 3.3Å; M117-R130 WeakPolarHBondContact CA-O 3.31Å; M117-I136 HydrophobicContact CE-CD1 3.39Å; M117-I136 HydrophobicContact CE-CG1 4.46Å; M117-I136 HydrophobicContact CG-CD1 4.37Å; M117-F142 HydrophobicContact CE-CD1 3.95Å; M117-F142 HydrophobicContact CE-CE1 3.2Å; M117-F142 HydrophobicContact CE-CE2 4.13Å; M117-F142 HydrophobicContact CE-CZ 3.32Å; M117-F142 HydrophobicContact SD-CE1 4.21Å; M117-W183 HydrophobicContact CE-CH2 4.12Å; M117-W183 HydrophobicContact SD-CE3 4.49Å; M117-W183 HydrophobicContact SD-CH2 3.59Å; M117-W183 VanDerWaalsContact SD-CH2 3.59Å; M117-W183 HydrophobicContact SD-CZ2 4.23Å; M117-W183 HydrophobicContact SD-CZ3 3.76Å; M117-L221 HydrophobicContact CE-CD2 3.74Å; M117-L221 HydrophobicContact SD-CD2 3.92Å
118	E	94.8	Very high	89.7	Confident	69 Å²	69	56.2 Å²	56.2	32%	0.322	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.2	177.2	-176	-176	-156.9	0	0	110.2	V120 V129 R130 I132	E118-V120 HydrophobicContact CG-CG2 4.02Å; E118-V129 WeakPolarHBondContact O-CA 3.46Å; E118-R130 HydrophobicContact CB-CG 4.29Å; E118-R130 PolarHBondContact N-O 2.97Å; E118-R130 PolarHBondContact O-N 2.85Å; E118-R130 IonicContact OE1-NH2 3.37Å; E118-R130 IonicContact OE2-CZ 2.65Å; E118-R130 IonicContact OE2-NE 2.88Å; E118-R130 PolarHBondContact OE2-NE 3.39Å; E118-R130 IonicContact OE2-NH2 3.67Å; E118-R130 PolarHBondContact OE2-NH2 3.45Å; E118-I132 HydrophobicContact CB-CD1 4.22Å; E118-I132 HydrophobicContact CB-CG1 4.45Å; E118-I132 HydrophobicContact CB-CG2 3.65Å; E118-I132 WeakPolarHBondContact OE2-CG2 3.38Å
119	V	95.3	Very high	89.7	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	112.7	165.7	-174.7	0	0	0	0	107.9	A110 I113 V129 Y186	A110-V119 HydrophobicContact CB-CG2 4.49Å; I113-V119 HydrophobicContact CB-CG2 4.1Å; I113-V119 HydrophobicContact CD1-CG2 3.82Å; I113-V119 HydrophobicContact CG1-CG2 4.03Å; V119-V129 HydrophobicContact CG2-CG2 4.28Å; V119-Y186 HydrophobicContact CG1-CD2 3.66Å; V119-Y186 HydrophobicContact CG1-CE2 4.08Å; V119-Y186 HydrophobicContact CG1-CG 3.91Å; V119-Y186 HydrophobicContact CG2-CD2 4.04Å
120	V	93.3	Very high	89.7	Confident	42 Å²	42	59.3 Å²	59.3	26%	0.255	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.5	178.2	-175.5	0	0	0	0	108.6	E118 S127 D128 R130 W220	E118-V120 HydrophobicContact CG-CG2 4.02Å; V120-S127 WeakPolarHBondContact O-CA 3.24Å; V120-D128 PolarHBondContact N-O 2.95Å; V120-D128 PolarHBondContact O-N 2.86Å; V120-R130 HydrophobicContact CG2-CG 4.05Å; V120-W220 HydrophobicContact CB-CH2 3.93Å; V120-W220 HydrophobicContact CB-CZ3 3.9Å; V120-W220 HydrophobicContact CG1-CH2 4.15Å; V120-W220 HydrophobicContact CG2-CH2 3.94Å; V120-W220 HydrophobicContact CG2-CZ3 3.92Å
121	K	87.9	Confident	89.7	Confident	118 Å²	118	58.5 Å²	58.5	51%	0.513	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129	175.4	-166.2	150.9	-160.7	154.6	0	110	G125 E126 S127	K121-G125 VanDerWaalsContact CE-O 3.27Å; K121-G125 WeakPolarHBondContact CE-O 3.08Å; K121-E126 WeakPolarHBondContact CA-O 3.17Å; K121-S127 WeakPolarHBondContact CD-OG 3.49Å; K121-S127 WeakPolarHBondContact CE-OG 3.32Å; K121-S127 WeakPolarHBondContact CG-OG 3.19Å
122	D	82.1	Confident	89.6	Confident	72 Å²	72	57.3 Å²	57.3	39%	0.385	31%	0.311	S	S	.	.			trans	-89.4	178.4	-176.3	93.8	-29.3	0	0	0	112.5	S124 G125 E126	D122-S124 VanDerWaalsContact CG-N 3.28Å; D122-S124 PolarHBondContact O-N 3.02Å; D122-S124 VanDerWaalsContact OD1-CA 3.27Å; D122-S124 WeakPolarHBondContact OD1-CA 3.48Å; D122-S124 WeakPolarHBondContact OD1-CB 3.33Å; D122-S124 PolarHBondContact OD1-N 2.67Å; D122-S124 PolarHBondContact OD1-OG 3.22Å; D122-S124 WeakPolarHBondContact OD2-CB 3.28Å; D122-S124 PolarHBondContact OD2-N 3.02Å; D122-S124 PolarHBondContact OD2-OG 3.45Å; D122-G125 PolarHBondContact O-N 3.01Å; D122-G125 PolarHBondContact OD1-N 3.13Å; D122-E126 PolarHBondContact N-O 3.43Å; D122-E126 PolarHBondContact OD1-N 3.33Å
123	T	77	Confident	88.9	Confident	152 Å²	152	61.7 Å²	61.7	93%	0.933	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.2	176.8	49.2	0	0	0	0	114.3
124	S	73.9	Confident	88.5	Confident	97 Å²	97	68 Å²	68	68%	0.678	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-24.1	174.4	-38.8	0	0	0	0	111.5	D122	D122-S124 VanDerWaalsContact CG-N 3.28Å; D122-S124 PolarHBondContact O-N 3.02Å; D122-S124 VanDerWaalsContact OD1-CA 3.27Å; D122-S124 WeakPolarHBondContact OD1-CA 3.48Å; D122-S124 WeakPolarHBondContact OD1-CB 3.33Å; D122-S124 PolarHBondContact OD1-N 2.67Å; D122-S124 PolarHBondContact OD1-OG 3.22Å; D122-S124 WeakPolarHBondContact OD2-CB 3.28Å; D122-S124 PolarHBondContact OD2-N 3.02Å; D122-S124 PolarHBondContact OD2-OG 3.45Å
125	G	73.3	Confident	88.4	Confident	44 Å²	44	71.3 Å²	71.3	45%	0.454	38%	0.384	S	S	.	.	S	Bend	trans	102.2	-3.6	-172.9	0	0	0	0	0	113.7	K121 D122	K121-G125 VanDerWaalsContact CE-O 3.27Å; K121-G125 WeakPolarHBondContact CE-O 3.08Å; D122-G125 PolarHBondContact O-N 3.01Å; D122-G125 PolarHBondContact OD1-N 3.13Å
126	E	81.1	Confident	88.7	Confident	144 Å²	144	63.4 Å²	63.4	67%	0.673	35%	0.347	S	S	*	.			trans	-69.4	156.8	173.3	-66.2	-62.9	164.2	0	0	110.3	K121 D122	K121-E126 WeakPolarHBondContact CA-O 3.17Å; D122-E126 PolarHBondContact N-O 3.43Å; D122-E126 PolarHBondContact OD1-N 3.33Å
127	S	88.8	Confident	89	Confident	17 Å²	17	65.6 Å²	65.6	12%	0.119	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	127.8	-176	-59.2	0	0	0	0	110.7	V120 K121 Y186	V120-S127 WeakPolarHBondContact O-CA 3.24Å; K121-S127 WeakPolarHBondContact CD-OG 3.49Å; K121-S127 WeakPolarHBondContact CE-OG 3.32Å; K121-S127 WeakPolarHBondContact CG-OG 3.19Å; S127-Y186 VanDerWaalsContact CB-CD1 3.44Å
128	D	92.3	Very high	89	Confident	28 Å²	28	68.5 Å²	68.5	15%	0.15	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	161.9	-178.1	-164.8	-7.2	0	0	0	109.1	V120 V188 W220 R222	V120-D128 PolarHBondContact N-O 2.95Å; V120-D128 PolarHBondContact O-N 2.86Å; D128-V188 HydrophobicContact CB-CG2 4.31Å; D128-V188 WeakPolarHBondContact OD1-CG2 3.35Å; D128-W220 HydrophobicContact CB-CE3 3.88Å; D128-W220 HydrophobicContact CB-CZ3 3.82Å; D128-W220 VanDerWaalsContact CG-CE3 3.43Å; D128-R222 VanDerWaalsContact CG-NH1 3.27Å; D128-R222 IonicContact OD1-CZ 2.76Å; D128-R222 IonicContact OD1-NH1 2.72Å; D128-R222 PolarHBondContact OD1-NH1 2.69Å; D128-R222 IonicContact OD1-NH2 3.77Å; D128-R222 IonicContact OD2-CZ 3.28Å; D128-R222 VanDerWaalsContact OD2-CZ 3.3Å; D128-R222 IonicContact OD2-NH1 3.94Å; D128-R222 PolarHBondContact OD2-NH1 3.06Å; D128-R222 IonicContact OD2-NH2 3.77Å; D128-R222 PolarHBondContact OD2-NH2 2.82Å
129	V	96.2	Very high	89	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.2	-175.6	-169.5	0	0	0	0	110.3	I113 M117 E118 V119 W183 V187 W220 L221	I113-V129 HydrophobicContact CD1-CG1 3.7Å; M117-V129 HydrophobicContact CB-CG1 4.4Å; E118-V129 WeakPolarHBondContact O-CA 3.46Å; V119-V129 HydrophobicContact CG2-CG2 4.28Å; V129-W183 HydrophobicContact CG1-CE3 4.19Å; V129-W183 HydrophobicContact CG1-CZ3 4.16Å; V129-W183 HydrophobicContact CG2-CE3 4.43Å; V129-V187 HydrophobicContact CB-CG2 4.33Å; V129-V187 HydrophobicContact CG2-CG2 4.04Å; V129-W220 CarbonylContact O-C 3.58Å; V129-W220 WeakPolarHBondContact O-CA 3.16Å; V129-L221 HydrophobicContact CB-CB 4.37Å; V129-L221 HydrophobicContact CB-CD2 4.25Å; V129-L221 HydrophobicContact CG1-CD1 4.45Å; V129-L221 HydrophobicContact CG1-CD2 3.87Å; V129-L221 PolarHBondContact O-N 3.16Å
130	R	94.8	Very high	89	Confident	82 Å²	82	66.9 Å²	66.9	31%	0.309	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	155.4	175.2	63.6	179	-177.1	-172.6	-2	113	M117 E118 V120 I132 E219 W220	M117-R130 CarbonylContact C-O 3.49Å; M117-R130 VanDerWaalsContact CA-O 3.3Å; M117-R130 WeakPolarHBondContact CA-O 3.31Å; E118-R130 HydrophobicContact CB-CG 4.29Å; E118-R130 PolarHBondContact N-O 2.97Å; E118-R130 PolarHBondContact O-N 2.85Å; E118-R130 IonicContact OE1-NH2 3.37Å; E118-R130 IonicContact OE2-CZ 2.65Å; E118-R130 IonicContact OE2-NE 2.88Å; E118-R130 PolarHBondContact OE2-NE 3.39Å; E118-R130 IonicContact OE2-NH2 3.67Å; E118-R130 PolarHBondContact OE2-NH2 3.45Å; V120-R130 HydrophobicContact CG2-CG 4.05Å; R130-I132 HydrophobicContact CG-CG2 3.98Å; R130-E219 WeakPolarHBondContact CA-O 3.49Å; R130-E219 WeakPolarHBondContact CB-O 3.26Å; R130-W220 HydrophobicContact CB-CD2 4.15Å; R130-W220 HydrophobicContact CB-CE3 3.74Å; R130-W220 HydrophobicContact CB-CZ3 4.05Å; R130-W220 HydrophobicContact CG-CE3 4.41Å; R130-W220 HydrophobicContact CG-CZ3 4.21Å
131	C	95.3	Very high	89.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141	163.8	179.5	0	0	0	0	109.7	E134 I136 I215 R216 G218 E219	C131-E134 PolarHBondContact SG-O 2.83Å; C131-I136 HydrophobicContact CB-CD1 3.94Å; C131-I215 HydrophobicContact CB-CG2 4.24Å; C131-R216 WeakPolarHBondContact CB-O 3.49Å; C131-G218 PolarHBondContact O-N 3.25Å; C131-E219 PolarHBondContact N-O 3.37Å
132	I	90.9	Very high	89.7	Confident	65 Å²	65	59.7 Å²	59.7	33%	0.333	33%	0.334	S	S	.	.			trans	-128.3	-30.3	-177.8	54.7	159.6	0	0	0	116.1	G116 E118 R130	G116-I132 VanDerWaalsContact C-CG1 3.5Å; G116-I132 VanDerWaalsContact O-CG1 3.28Å; G116-I132 WeakPolarHBondContact O-CG1 3.32Å; G116-I132 PolarHBondContact O-N 2.9Å; E118-I132 HydrophobicContact CB-CD1 4.22Å; E118-I132 HydrophobicContact CB-CG1 4.45Å; E118-I132 HydrophobicContact CB-CG2 3.65Å; E118-I132 WeakPolarHBondContact OE2-CG2 3.38Å; R130-I132 HydrophobicContact CG-CG2 3.98Å
133	N	82.5	Confident	90.3	Very high	94 Å²	94	57 Å²	57	50%	0.503	32%	0.323	S	S	.	.	S	Bend	trans	-104.9	-74.2	-169	-68	-5.4	0	0	0	113.1	P217	N133-P217 VanDerWaalsContact O-CG 3.26Å; N133-P217 WeakPolarHBondContact O-CG 3.38Å
134	E	89	Confident	91.2	Very high	161 Å²	161	51.7 Å²	51.7	75%	0.752	29%	0.291	S	S	*	.	S	Bend	trans	-118.2	163.1	-175.8	-62.5	-169	162.3	0	0	110.5	C131 I136	C131-E134 PolarHBondContact SG-O 2.83Å; E134-I136 PolarHBondContact O-N 3.35Å
135	V	93.2	Very high	92.3	Very high	71 Å²	71	47.1 Å²	47.1	43%	0.43	26%	0.259	S	S	.	.			trans	-67.3	120.8	175.7	179.8	0	0	0	0	109.1	P137 D214 I215 R216	V135-P137 WeakPolarHBondContact O-CD 3.35Å; V135-D214 HydrophobicContact CG1-CB 3.8Å; V135-I215 CarbonylContact C-O 3.53Å; V135-I215 WeakPolarHBondContact CA-O 3.23Å; V135-R216 HydrophobicContact CG2-CG 4.39Å
136	I	96.1	Very high	93.4	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.097	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-72.9	114.7	170.8	-62.7	157.6	0	0	0	107.3	M117 C131 E134 H140 F142 A211 D214 I215	M117-I136 HydrophobicContact CE-CD1 3.39Å; M117-I136 HydrophobicContact CE-CG1 4.46Å; M117-I136 HydrophobicContact CG-CD1 4.37Å; C131-I136 HydrophobicContact CB-CD1 3.94Å; E134-I136 PolarHBondContact O-N 3.35Å; I136-H140 HydrophobicContact CG2-CB 4.16Å; I136-F142 HydrophobicContact CG2-CE2 4.17Å; I136-F142 HydrophobicContact CG2-CZ 3.76Å; I136-A211 HydrophobicContact CG2-CB 4.32Å; I136-D214 WeakPolarHBondContact O-CA 3.34Å; I136-I215 HydrophobicContact CB-CB 4.05Å; I136-I215 HydrophobicContact CB-CG1 4.27Å; I136-I215 HydrophobicContact CD1-CB 4.18Å; I136-I215 HydrophobicContact CD1-CD1 4.44Å; I136-I215 HydrophobicContact CG2-CD1 4.45Å; I136-I215 HydrophobicContact CG2-CG1 4.42Å; I136-I215 PolarHBondContact N-O 3.49Å; I136-I215 PolarHBondContact O-N 3.38Å
137	P	95.8	Very high	93.9	Very high	60 Å²	60	41.8 Å²	41.8	39%	0.39	23%	0.227	S	C	.	.			trans	-73.5	146.7	-176	-16.6	31.1	0	0	0	112.6	V135 G139 H140	V135-P137 WeakPolarHBondContact O-CD 3.35Å; P137-G139 PolarHBondContact O-N 3.04Å; P137-H140 VanDerWaalsContact CD-CE1 3.47Å; P137-H140 WeakPolarHBondContact CD-CE1 3.47Å; P137-H140 VanDerWaalsContact CG-CE1 3.5Å; P137-H140 WeakPolarHBondContact CG-CE1 3.11Å; P137-H140 PolarHBondContact O-N 3.46Å; P137-H140 PolarHBondContact O-ND1 3.21Å
138	K	96.1	Very high	93.9	Very high	73 Å²	73	46.6 Å²	46.6	32%	0.317	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	134.5	170.4	179.6	167.9	177.2	147.3	0	111.3	E77 C212 D214	E77-K138 VanDerWaalsContact C-CE 3.44Å; E77-K138 HydrophobicContact CB-CD 4.48Å; E77-K138 HydrophobicContact CB-CG 3.98Å; E77-K138 WeakPolarHBondContact O-CE 3.46Å; E77-K138 PolarHBondContact O-NZ 3.2Å; E77-K138 WeakPolarHBondContact OE2-CE 3.23Å; E77-K138 IonicContact OE2-NZ 3.3Å; E77-K138 PolarHBondContact OE2-NZ 3.22Å; E77-K138 VanDerWaalsContact OE2-NZ 3.14Å; K138-C212 VanDerWaalsContact CD-O 3.23Å; K138-C212 WeakPolarHBondContact CD-O 3.3Å; K138-C212 WeakPolarHBondContact CE-O 3.5Å; K138-C212 PolarHBondContact NZ-O 2.85Å; K138-D214 WeakPolarHBondContact CB-OD1 3.5Å; K138-D214 PolarHBondContact N-OD1 3.3Å
139	G	93.6	Very high	93.6	Very high	24 Å²	24	49 Å²	49	25%	0.247	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.5	-8.2	-179.4	0	0	0	0	0	116.2	P137 A211	P137-G139 PolarHBondContact O-N 3.04Å; G139-A211 PolarHBondContact N-O 3.39Å
140	H	96.1	Very high	92.8	Very high	41 Å²	41	50.6 Å²	50.6	19%	0.19	27%	0.271	C	S	.	.			trans	-66	141	174.3	-77.5	60.3	0	0	0	111.7	V94 V96 I136 P137 F142 R210 A211	V94-H140 WeakPolarHBondContact CG1-NE2 3.44Å; V96-H140 HydrophobicContact CG2-CB 4.32Å; I136-H140 HydrophobicContact CG2-CB 4.16Å; P137-H140 VanDerWaalsContact CD-CE1 3.47Å; P137-H140 WeakPolarHBondContact CD-CE1 3.47Å; P137-H140 VanDerWaalsContact CG-CE1 3.5Å; P137-H140 WeakPolarHBondContact CG-CE1 3.11Å; P137-H140 PolarHBondContact O-N 3.46Å; P137-H140 PolarHBondContact O-ND1 3.21Å; H140-F142 HydrophobicContact CB-CE2 4.39Å; H140-F142 HydrophobicContact CB-CZ 4.43Å; H140-R210 CarbonylContact O-C 3.58Å; H140-R210 VanDerWaalsContact O-CA 3.27Å; H140-R210 WeakPolarHBondContact O-CA 3.36Å; H140-A211 PolarHBondContact O-N 3.18Å
141	I	97.6	Very high	91.5	Very high	9 Å²	9	52.1 Å²	52.1	5%	0.046	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.2	-174.1	-53.9	-174.2	0	0	0	110.6	W74 P93 V94 F95 V96 F201 Y208 F209 R210	W74-I141 HydrophobicContact CE3-CD1 4.07Å; W74-I141 HydrophobicContact CZ3-CD1 4.32Å; P93-I141 HydrophobicContact CB-CD1 3.52Å; P93-I141 HydrophobicContact CB-CG1 4.47Å; V94-I141 PolarHBondContact O-N 3.44Å; F95-I141 WeakPolarHBondContact CA-O 3.25Å; F95-I141 HydrophobicContact CD1-CB 3.97Å; F95-I141 HydrophobicContact CD1-CG2 3.85Å; F95-I141 HydrophobicContact CE1-CB 4.07Å; F95-I141 HydrophobicContact CE1-CD1 4.31Å; F95-I141 HydrophobicContact CE1-CG2 3.69Å; F95-I141 HydrophobicContact CZ-CD1 4.28Å; V96-I141 PolarHBondContact N-O 3.39Å; I141-F201 HydrophobicContact CD1-CZ 4.14Å; I141-F201 HydrophobicContact CG2-CE1 4.2Å; I141-F201 HydrophobicContact CG2-CZ 4.03Å; I141-Y208 HydrophobicContact CG2-CD1 4.05Å; I141-Y208 HydrophobicContact CG2-CG 4.27Å; I141-F209 CarbonylContact C-O 3.58Å; I141-F209 WeakPolarHBondContact CA-O 3.49Å; I141-R210 HydrophobicContact CG1-CB 4.21Å
142	F	97.8	Very high	89.6	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.8	-177.1	-61.3	-79.5	0	0	0	110.9	V96 M117 I136 H140 W183 M184 L198 Y208 F209	V96-F142 HydrophobicContact CB-CD1 3.73Å; V96-F142 HydrophobicContact CB-CE1 3.5Å; V96-F142 HydrophobicContact CB-CZ 4.37Å; V96-F142 HydrophobicContact CG1-CD1 4.2Å; V96-F142 HydrophobicContact CG1-CE1 3.8Å; V96-F142 HydrophobicContact CG2-CD1 4.25Å; V96-F142 HydrophobicContact CG2-CE1 3.61Å; V96-F142 HydrophobicContact CG2-CZ 3.99Å; M117-F142 HydrophobicContact CE-CD1 3.95Å; M117-F142 HydrophobicContact CE-CE1 3.2Å; M117-F142 HydrophobicContact CE-CE2 4.13Å; M117-F142 HydrophobicContact CE-CZ 3.32Å; M117-F142 HydrophobicContact SD-CE1 4.21Å; I136-F142 HydrophobicContact CG2-CE2 4.17Å; I136-F142 HydrophobicContact CG2-CZ 3.76Å; H140-F142 HydrophobicContact CB-CE2 4.39Å; H140-F142 HydrophobicContact CB-CZ 4.43Å; F142-W183 HydrophobicContact CB-CH2 4.14Å; F142-W183 HydrophobicContact CB-CZ2 3.87Å; F142-W183 AromaticContact CD1-CH2 3.9Å; F142-W183 HydrophobicContact CD1-CH2 3.9Å; F142-W183 AromaticContact CD1-CZ2 3.72Å; F142-W183 HydrophobicContact CD1-CZ2 3.72Å; F142-W183 HydrophobicContact CG-CH2 4.06Å; F142-W183 HydrophobicContact CG-CZ2 4.05Å; F142-M184 HydrophobicContact CB-CE 4.48Å; F142-M184 WeakPolarHBondContact O-CE 3.27Å; F142-L198 HydrophobicContact CD2-CD2 3.88Å; F142-L198 HydrophobicContact CE2-CD2 3.93Å; F142-Y208 WeakPolarHBondContact O-CA 3.43Å; F142-F209 HydrophobicContact CB-CB 4.4Å; F142-F209 PolarHBondContact N-O 2.85Å; F142-F209 PolarHBondContact O-N 3.01Å
143	G	95.6	Very high	87.7	Confident	15 Å²	15	61 Å²	61	16%	0.155	33%	0.333	C	S	.	.			trans	115.2	-162.6	175.1	0	0	0	0	0	114.6	M184	G143-M184 WeakPolarHBondContact CA-SD 3.31Å
144	P	96.6	Very high	85.8	Confident	40 Å²	40	63.5 Å²	63.5	26%	0.26	34%	0.34	S	S	.	.	P	Polyproline II helix	cis	-71.3	156.3	17.8	29.2	-37	0	0	0	114.3	E146 N182 R206 I207 Y208	P144-E146 PolarHBondContact O-N 2.99Å; P144-N182 PolarHBondContact O-ND2 3.44Å; P144-R206 HydrophobicContact CB-CB 3.76Å; P144-R206 HydrophobicContact CB-CG 4.03Å; P144-I207 CarbonylContact C-O 3.53Å; P144-I207 VanDerWaalsContact CA-O 3.31Å; P144-I207 WeakPolarHBondContact CA-O 3.49Å; P144-Y208 HydrophobicContact CB-CD1 4.41Å; P144-Y208 HydrophobicContact CB-CE1 3.85Å; P144-Y208 HydrophobicContact CB-CE2 4.43Å; P144-Y208 HydrophobicContact CG-CE1 4.35Å
145	Y	96.5	Very high	83.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.008	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.6	125.4	167.6	-169.5	-80.7	0	0	0	109.7	F159 W161 I173 M184 I207 F209	Y145-F159 PolarHBondContact OH-O 3Å; Y145-F159 VanDerWaalsContact OH-O 3.14Å; Y145-W161 AromaticContact CD1-CD1 3.97Å; Y145-W161 AromaticContact CD2-CD1 3.94Å; Y145-W161 AromaticContact CD2-NE1 3.8Å; Y145-W161 AromaticContact CE1-CD1 3.71Å; Y145-W161 AromaticContact CE2-CD1 3.69Å; Y145-W161 AromaticContact CE2-NE1 3.43Å; Y145-W161 AromaticContact CZ-CD1 3.58Å; Y145-W161 AromaticContact CZ-NE1 3.72Å; Y145-I173 HydrophobicContact CD1-CG2 3.99Å; Y145-I173 HydrophobicContact CE1-CG2 4.48Å; Y145-M184 HydrophobicContact CD2-CB 3.55Å; Y145-M184 HydrophobicContact CD2-CE 4.46Å; Y145-M184 HydrophobicContact CD2-SD 4.49Å; Y145-M184 HydrophobicContact CE2-CB 3.94Å; Y145-M184 HydrophobicContact CG-CB 4.49Å; Y145-I207 PolarHBondContact N-O 2.86Å; Y145-F209 HydrophobicContact CD2-CZ 4.03Å; Y145-F209 HydrophobicContact CE2-CZ 4.44Å
146	E	95.3	Very high	81.9	Confident	57 Å²	57	61.3 Å²	61.3	27%	0.266	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-103.2	146.3	-178.2	-61.9	-156.9	119.8	0	0	112.4	R108 P144 A181 N182	R108-E146 IonicContact CZ-OE2 3.57Å; R108-E146 IonicContact NH1-OE2 3.75Å; R108-E146 PolarHBondContact NH1-OE2 2.94Å; R108-E146 IonicContact NH2-OE2 2.74Å; R108-E146 PolarHBondContact NH2-OE2 2.88Å; P144-E146 PolarHBondContact O-N 2.99Å; E146-A181 WeakPolarHBondContact O-CA 3.45Å; E146-N182 HydrophobicContact CB-CB 4.07Å; E146-N182 HydrophobicContact CG-CB 4.24Å; E146-N182 PolarHBondContact N-OD1 2.97Å
147	G	92	Very high	80.1	Confident	18 Å²	18	62.1 Å²	62.1	19%	0.186	36%	0.362	C	S	.	.	S	Bend	trans	169.7	-179.8	-176.6	0	0	0	0	0	111.8	I149 D174	G147-I149 PolarHBondContact O-N 3.47Å; G147-D174 CarbonylContact C-O 3.57Å; G147-D174 WeakPolarHBondContact CA-O 3.31Å
148	Q	89.3	Confident	78.9	Confident	118 Å²	118	69 Å²	69	55%	0.551	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.5	177	-179	167.9	-30.4	0	0	110.6	D174	Q148-D174 PolarHBondContact N-O 3.08Å; Q148-D174 PolarHBondContact O-N 3.39Å
149	I	86.6	Confident	78.3	Confident	80 Å²	80	68.8 Å²	68.8	41%	0.41	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.8	175.3	-54.5	179.5	0	0	0	109.7	G147 K171 S172 I173	G147-I149 PolarHBondContact O-N 3.47Å; I149-K171 HydrophobicContact CG2-CB 4.34Å; I149-K171 HydrophobicContact CG2-CD 4.23Å; I149-S172 CarbonylContact C-O 3.58Å; I149-S172 VanDerWaalsContact CA-O 3.28Å; I149-S172 WeakPolarHBondContact CA-O 3.26Å; I149-I173 HydrophobicContact CG1-CG1 4.47Å
150	S	79.3	Confident	78.1	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.3	-179	125.3	0	0	0	0	112	Q152 K171 S172	S150-Q152 PolarHBondContact OG-N 2.96Å; S150-K171 CarbonylContact O-C 3.3Å; S150-K171 VanDerWaalsContact O-CA 3.24Å; S150-K171 WeakPolarHBondContact O-CA 3.37Å; S150-K171 VanDerWaalsContact O-CB 3.32Å; S150-K171 WeakPolarHBondContact O-CB 3.45Å; S150-S172 WeakPolarHBondContact CB-OG 3.45Å; S150-S172 PolarHBondContact N-O 3.28Å; S150-S172 PolarHBondContact O-N 2.93Å; S150-S172 PolarHBondContact OG-OG 3.08Å
151	T	67.5	Low	77.8	Confident	114 Å²	114	67.4 Å²	67.4	70%	0.699	37%	0.374	S	S	*	.			trans	-109.8	15	-179.5	53.9	0	0	0	0	113.4	K171	T151-K171 HydrophobicContact CG2-CG 4.42Å
152	Q	54.9	Low	77.4	Confident	115 Å²	115	70 Å²	70	54%	0.537	39%	0.388	S	S	.	.	S	Bend	trans	-108.8	135	-177.7	-68.3	-172.7	-21.7	0	0	111.3	S150 K154	S150-Q152 PolarHBondContact OG-N 2.96Å; Q152-K154 HydrophobicContact CB-CD 4.3Å; Q152-K154 HydrophobicContact CB-CG 4.25Å; Q152-K154 PolarHBondContact O-N 3.47Å
153	D	51.4	Low	77	Confident	135 Å²	135	70 Å²	70	72%	0.722	39%	0.388	S	S	*	.			trans	-70.4	55.4	168.7	-169.7	14.2	0	0	0	110.5	R243	D153-R243 IonicContact OD2-NH2 3.84Å; D153-R243 PolarHBondContact OD2-NH2 3.4Å
154	K	42	Very low	76.6	Confident	148 Å²	148	69.7 Å²	69.7	64%	0.643	38%	0.383	S	S	*	.			trans	-90.8	140.8	168.4	-82.4	172.9	171.1	161.7	0	107.7	Q152 A156	Q152-K154 HydrophobicContact CB-CD 4.3Å; Q152-K154 HydrophobicContact CB-CG 4.25Å; Q152-K154 PolarHBondContact O-N 3.47Å; K154-A156 PolarHBondContact O-N 3.04Å; K154-A156 VanDerWaalsContact O-N 3.16Å
155	S	46.8	Very low	76	Confident	124 Å²	124	67.9 Å²	67.9	87%	0.867	37%	0.371	S	S	*	.			trans	-45.1	120.5	-179.1	-53.6	0	0	0	0	111.6	G157	S155-G157 PolarHBondContact O-N 3.34Å; S155-G157 VanDerWaalsContact O-N 3.09Å
156	A	53.4	Low	75.2	Confident	62 Å²	62	73.9 Å²	73.9	51%	0.512	40%	0.397	S	S	.	.			trans	-55.5	117.2	177.9	0	0	0	0	0	109.7	K154	K154-A156 PolarHBondContact O-N 3.04Å; K154-A156 VanDerWaalsContact O-N 3.16Å
157	G	58.3	Low	74.3	Confident	35 Å²	35	76.6 Å²	76.6	36%	0.361	41%	0.414	S	S	.	.			trans	-66.7	169	171.8	0	0	0	0	0	111.4	S155 F159 S160	S155-G157 PolarHBondContact O-N 3.34Å; S155-G157 VanDerWaalsContact O-N 3.09Å; G157-F159 PolarHBondContact O-N 3.32Å; G157-S160 VanDerWaalsContact O-CB 3.32Å; G157-S160 WeakPolarHBondContact O-CB 3.44Å; G157-S160 PolarHBondContact O-N 3.03Å
158	F	71	Confident	73.5	Confident	204 Å²	204	80.1 Å²	80.1	90%	0.895	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-23	-177.6	-65.3	-82.2	0	0	0	114.3
159	F	82.9	Confident	73.1	Confident	69 Å²	69	81.2 Å²	81.2	30%	0.303	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	19.9	178.2	-51.7	-73.3	0	0	0	113.5	Y145 G157 G175 R185	Y145-F159 PolarHBondContact OH-O 3Å; Y145-F159 VanDerWaalsContact OH-O 3.14Å; G157-F159 PolarHBondContact O-N 3.32Å; F159-G175 PolarHBondContact O-N 3.4Å; F159-R185 HydrophobicContact CD1-CB 4.15Å; F159-R185 WeakPolarHBondContact CD1-O 3.39Å; F159-R185 WeakPolarHBondContact CE1-O 3.48Å
160	S	88.4	Confident	72.9	Confident	21 Å²	21	81 Å²	81	15%	0.147	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.6	-173.9	172.6	0	0	0	0	112.9	G157 I173	G157-S160 VanDerWaalsContact O-CB 3.32Å; G157-S160 WeakPolarHBondContact O-CB 3.44Å; G157-S160 PolarHBondContact O-N 3.03Å; S160-I173 WeakPolarHBondContact CA-O 3.45Å
161	W	89.8	Confident	73.2	Confident	16 Å²	16	81.3 Å²	81.3	6%	0.061	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.6	171.1	-67.7	78.8	0	0	0	111.5	Y145 S172 I173 I189 A200 I207 F209 Y225 Y229	Y145-W161 AromaticContact CD1-CD1 3.97Å; Y145-W161 AromaticContact CD2-CD1 3.94Å; Y145-W161 AromaticContact CD2-NE1 3.8Å; Y145-W161 AromaticContact CE1-CD1 3.71Å; Y145-W161 AromaticContact CE2-CD1 3.69Å; Y145-W161 AromaticContact CE2-NE1 3.43Å; Y145-W161 AromaticContact CZ-CD1 3.58Å; Y145-W161 AromaticContact CZ-NE1 3.72Å; W161-S172 CarbonylContact O-C 3.53Å; W161-S172 VanDerWaalsContact O-CA 3.26Å; W161-S172 WeakPolarHBondContact O-CA 3.19Å; W161-I173 PolarHBondContact N-O 3.47Å; W161-I173 PolarHBondContact O-N 3.32Å; W161-I189 HydrophobicContact CH2-CD1 4.5Å; W161-I189 HydrophobicContact CZ2-CD1 4.03Å; W161-I189 HydrophobicContact CZ2-CG1 4.37Å; W161-A200 HydrophobicContact CE3-CB 4.29Å; W161-A200 HydrophobicContact CH2-CB 3.37Å; W161-A200 HydrophobicContact CZ2-CB 4.43Å; W161-A200 HydrophobicContact CZ3-CB 3.26Å; W161-I207 HydrophobicContact CB-CG1 3.91Å; W161-I207 HydrophobicContact CD2-CG2 4.12Å; W161-I207 HydrophobicContact CE3-CD1 4.49Å; W161-I207 HydrophobicContact CE3-CG1 4.44Å; W161-I207 HydrophobicContact CE3-CG2 3.91Å; W161-I207 HydrophobicContact CG-CG1 4.39Å; W161-I207 HydrophobicContact CG-CG2 4.48Å; W161-I207 HydrophobicContact CZ3-CG2 4.44Å; W161-F209 AromaticContact CH2-CE1 3.81Å; W161-F209 HydrophobicContact CH2-CE1 3.81Å; W161-F209 HydrophobicContact CH2-CZ 4.24Å; W161-F209 AromaticContact CZ2-CE1 3.62Å; W161-F209 HydrophobicContact CZ2-CE1 3.62Å; W161-F209 AromaticContact CZ2-CZ 3.64Å; W161-F209 HydrophobicContact CZ2-CZ 3.64Å; W161-F209 HydrophobicContact CZ3-CE1 4.36Å; W161-Y225 HydrophobicContact CE3-CE1 4.3Å; W161-Y225 HydrophobicContact CH2-CD1 4.06Å; W161-Y225 AromaticContact CH2-CE1 3.75Å; W161-Y225 HydrophobicContact CH2-CE1 3.75Å; W161-Y225 AromaticContact CZ3-CD1 3.64Å; W161-Y225 HydrophobicContact CZ3-CD1 3.64Å; W161-Y225 AromaticContact CZ3-CE1 3.5Å; W161-Y225 HydrophobicContact CZ3-CE1 3.5Å; W161-Y229 AromaticContact CE3-CE1 3.91Å; W161-Y229 HydrophobicContact CE3-CE1 3.91Å; W161-Y229 AromaticContact CE3-CZ 3.96Å; W161-Y229 AromaticContact CZ3-CE1 3.83Å; W161-Y229 HydrophobicContact CZ3-CE1 3.83Å
162	L	89.4	Confident	74.2	Confident	63 Å²	63	76.5 Å²	76.5	33%	0.33	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.1	174.1	-70.3	172.4	0	0	0	110.1	Y229 L233	L162-Y229 PolarHBondContact N-OH 3.25Å; L162-Y229 VanDerWaalsContact O-CE2 3.29Å; L162-Y229 WeakPolarHBondContact O-CE2 3.39Å; L162-Y229 PolarHBondContact O-OH 3.46Å; L162-L233 HydrophobicContact CB-CD2 3.68Å; L162-L233 HydrophobicContact CD1-CD2 4.42Å
163	I	90.3	Very high	75.9	Confident	2 Å²	2	71 Å²	71	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.3	168.2	58.2	173.3	0	0	0	109.6	Y170 K171 I173 Q202 E205 I207	I163-Y170 CarbonylContact O-C 3.58Å; I163-Y170 WeakPolarHBondContact O-CA 3.29Å; I163-K171 HydrophobicContact CD1-CB 4.08Å; I163-K171 HydrophobicContact CD1-CD 4.17Å; I163-K171 HydrophobicContact CG1-CB 3.74Å; I163-K171 PolarHBondContact N-O 3.02Å; I163-K171 PolarHBondContact O-N 3.33Å; I163-I173 HydrophobicContact CD1-CD1 4.21Å; I163-I173 HydrophobicContact CD1-CG1 4.1Å; I163-I173 HydrophobicContact CG1-CG1 4.47Å; I163-I173 HydrophobicContact CG2-CD1 3.97Å; I163-I173 HydrophobicContact CG2-CG1 4.32Å; I163-Q202 HydrophobicContact CG2-CG 4.29Å; I163-E205 HydrophobicContact CD1-CB 4.35Å; I163-E205 WeakPolarHBondContact CD1-O 3.44Å; I163-I207 HydrophobicContact CG2-CD1 3.75Å; I163-I207 HydrophobicContact CG2-CG1 3.8Å
164	V	87.3	Confident	77.8	Confident	8 Å²	8	67.2 Å²	67.2	5%	0.048	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.4	169.5	-177.1	0	0	0	0	108.1	Y170 Q202 R232 L233 M236	V164-Y170 HydrophobicContact CG2-CD1 4.3Å; V164-Y170 HydrophobicContact CG2-CE1 4.3Å; V164-Q202 PolarHBondContact O-NE2 3.12Å; V164-R232 HydrophobicContact CB-CG 4.33Å; V164-R232 HydrophobicContact CG2-CG 4.14Å; V164-L233 HydrophobicContact CG2-CD2 4.42Å; V164-M236 HydrophobicContact CG1-CG 4.3Å; V164-M236 HydrophobicContact CG2-CG 4.14Å
165	D	84.2	Confident	80.1	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.011	31%	0.314	C	S	.	.			trans	-78.9	170	177.3	83.4	-4.1	0	0	0	113.2	N167 N168 R169 K171 E205	D165-N167 PolarHBondContact O-N 2.63Å; D165-N167 WeakPolarHBondContact OD1-CA 3.37Å; D165-N167 WeakPolarHBondContact OD1-CB 3.32Å; D165-N167 PolarHBondContact OD1-N 3.03Å; D165-N168 WeakPolarHBondContact O-CA 3.34Å; D165-N168 PolarHBondContact O-N 3.17Å; D165-N168 PolarHBondContact OD1-N 3.34Å; D165-R169 PolarHBondContact N-O 2.63Å; D165-R169 WeakPolarHBondContact OD1-CB 3.47Å; D165-R169 PolarHBondContact OD1-N 2.74Å; D165-R169 IonicContact OD1-NE 3.19Å; D165-R169 IonicContact OD2-CZ 3.99Å; D165-R169 IonicContact OD2-NE 3.34Å; D165-R169 PolarHBondContact OD2-NE 3.42Å; D165-R169 IonicContact OD2-NH2 2.73Å; D165-R169 PolarHBondContact OD2-NH2 2.96Å; D165-K171 HydrophobicContact CB-CD 4.01Å; D165-K171 HydrophobicContact CB-CG 4.48Å; D165-K171 WeakPolarHBondContact OD2-CE 3.3Å; D165-K171 IonicContact OD2-NZ 2.87Å; D165-K171 PolarHBondContact OD2-NZ 3.23Å; D165-E205 WeakPolarHBondContact CB-OE2 3.48Å
166	K	79.3	Confident	82.2	Confident	127 Å²	127	56.7 Å²	56.7	55%	0.552	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-4.9	179	-71	166.4	-173.3	158.6	0	114.7	E205	K166-E205 VanDerWaalsContact CD-OE1 3.3Å; K166-E205 WeakPolarHBondContact CD-OE1 3.39Å; K166-E205 WeakPolarHBondContact CE-OE1 3.49Å; K166-E205 WeakPolarHBondContact CG-OE1 3.4Å; K166-E205 IonicContact NZ-OE1 3.5Å
167	N	77	Confident	83.9	Confident	115 Å²	115	56.3 Å²	56.3	62%	0.615	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	18.7	174	-59.7	39.2	0	0	0	110.7	D165 R169	D165-N167 PolarHBondContact O-N 2.63Å; D165-N167 WeakPolarHBondContact OD1-CA 3.37Å; D165-N167 WeakPolarHBondContact OD1-CB 3.32Å; D165-N167 PolarHBondContact OD1-N 3.03Å; N167-R169 VanDerWaalsContact C-N 3.29Å; N167-R169 PolarHBondContact O-N 3.4Å
168	N	75	Confident	85.6	Confident	91 Å²	91	57.8 Å²	57.8	49%	0.487	28%	0.276	S	S	.	.	S	Bend	trans	57.1	29.9	-177.4	-63.7	-32.4	0	0	0	115.2	D165 M236	D165-N168 WeakPolarHBondContact O-CA 3.34Å; D165-N168 PolarHBondContact O-N 3.17Å; D165-N168 PolarHBondContact OD1-N 3.34Å; N168-M236 HydrophobicContact CB-CE 4.33Å; N168-M236 HydrophobicContact CB-SD 4.23Å; N168-M236 VanDerWaalsContact O-CE 3.3Å; N168-M236 WeakPolarHBondContact O-CE 3.48Å
169	R	79.4	Confident	86.6	Confident	141 Å²	141	50 Å²	50	53%	0.532	25%	0.245	S	C	.	.			trans	-105.9	141.4	177.6	-56.5	172.1	-57.8	-179.4	4.2	111.7	D165 N167 K171	D165-R169 PolarHBondContact N-O 2.63Å; D165-R169 WeakPolarHBondContact OD1-CB 3.47Å; D165-R169 PolarHBondContact OD1-N 2.74Å; D165-R169 IonicContact OD1-NE 3.19Å; D165-R169 IonicContact OD2-CZ 3.99Å; D165-R169 IonicContact OD2-NE 3.34Å; D165-R169 PolarHBondContact OD2-NE 3.42Å; D165-R169 IonicContact OD2-NH2 2.73Å; D165-R169 PolarHBondContact OD2-NH2 2.96Å; N167-R169 VanDerWaalsContact C-N 3.29Å; N167-R169 PolarHBondContact O-N 3.4Å; R169-K171 PolarHBondContact O-N 3.2Å
170	Y	83.3	Confident	87	Confident	76 Å²	76	50.9 Å²	50.9	30%	0.298	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.9	168.8	-66.3	-68.3	0	0	0	111.6	I163 V164 L233 M236 S237	I163-Y170 CarbonylContact O-C 3.58Å; I163-Y170 WeakPolarHBondContact O-CA 3.29Å; V164-Y170 HydrophobicContact CG2-CD1 4.3Å; V164-Y170 HydrophobicContact CG2-CE1 4.3Å; Y170-L233 HydrophobicContact CD1-CD2 4.36Å; Y170-L233 HydrophobicContact CE1-CD2 3.88Å; Y170-L233 PolarHBondContact OH-O 3.19Å; Y170-L233 VanDerWaalsContact OH-O 3.12Å; Y170-M236 HydrophobicContact CE1-CB 4.14Å; Y170-M236 HydrophobicContact CE2-CB 3.95Å; Y170-M236 VanDerWaalsContact OH-CB 3.28Å; Y170-M236 WeakPolarHBondContact OH-CB 3.33Å; Y170-M236 PolarHBondContact OH-O 2.78Å; Y170-M236 VanDerWaalsContact OH-O 3.14Å; Y170-S237 PolarHBondContact OH-N 2.85Å
171	K	86.8	Confident	87.4	Confident	40 Å²	40	49.9 Å²	49.9	17%	0.174	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161.2	156.8	-55.2	167.7	-179.1	160.7	0	107.9	I149 S150 T151 I163 D165 R169 E205	I149-K171 HydrophobicContact CG2-CB 4.34Å; I149-K171 HydrophobicContact CG2-CD 4.23Å; S150-K171 CarbonylContact O-C 3.3Å; S150-K171 VanDerWaalsContact O-CA 3.24Å; S150-K171 WeakPolarHBondContact O-CA 3.37Å; S150-K171 VanDerWaalsContact O-CB 3.32Å; S150-K171 WeakPolarHBondContact O-CB 3.45Å; T151-K171 HydrophobicContact CG2-CG 4.42Å; I163-K171 HydrophobicContact CD1-CB 4.08Å; I163-K171 HydrophobicContact CD1-CD 4.17Å; I163-K171 HydrophobicContact CG1-CB 3.74Å; I163-K171 PolarHBondContact N-O 3.02Å; I163-K171 PolarHBondContact O-N 3.33Å; D165-K171 HydrophobicContact CB-CD 4.01Å; D165-K171 HydrophobicContact CB-CG 4.48Å; D165-K171 WeakPolarHBondContact OD2-CE 3.3Å; D165-K171 IonicContact OD2-NZ 2.87Å; D165-K171 PolarHBondContact OD2-NZ 3.23Å; R169-K171 PolarHBondContact O-N 3.2Å; K171-E205 IonicContact NZ-OE2 3.19Å; K171-E205 PolarHBondContact NZ-OE2 3.38Å
172	S	87.6	Confident	87.7	Confident	12 Å²	12	49.1 Å²	49.1	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	146.5	167.5	63.2	0	0	0	0	111.1	I149 S150 W161	I149-S172 CarbonylContact C-O 3.58Å; I149-S172 VanDerWaalsContact CA-O 3.28Å; I149-S172 WeakPolarHBondContact CA-O 3.26Å; S150-S172 WeakPolarHBondContact CB-OG 3.45Å; S150-S172 PolarHBondContact N-O 3.28Å; S150-S172 PolarHBondContact O-N 2.93Å; S150-S172 PolarHBondContact OG-OG 3.08Å; W161-S172 CarbonylContact O-C 3.53Å; W161-S172 VanDerWaalsContact O-CA 3.26Å; W161-S172 WeakPolarHBondContact O-CA 3.19Å
173	I	91.1	Very high	88.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.6	163.5	-49.3	179.5	0	0	0	106.6	Y145 I149 S160 W161 I163 I207	Y145-I173 HydrophobicContact CD1-CG2 3.99Å; Y145-I173 HydrophobicContact CE1-CG2 4.48Å; I149-I173 HydrophobicContact CG1-CG1 4.47Å; S160-I173 WeakPolarHBondContact CA-O 3.45Å; W161-I173 PolarHBondContact N-O 3.47Å; W161-I173 PolarHBondContact O-N 3.32Å; I163-I173 HydrophobicContact CD1-CD1 4.21Å; I163-I173 HydrophobicContact CD1-CG1 4.1Å; I163-I173 HydrophobicContact CG1-CG1 4.47Å; I163-I173 HydrophobicContact CG2-CD1 3.97Å; I163-I173 HydrophobicContact CG2-CG1 4.32Å; I173-I207 HydrophobicContact CD1-CG1 4.35Å
174	D	90.3	Very high	88.4	Confident	56 Å²	56	46.1 Å²	46.1	30%	0.299	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	108	-176.4	-176.4	4.3	0	0	0	111.5	G147 Q148 S176	G147-D174 CarbonylContact C-O 3.57Å; G147-D174 WeakPolarHBondContact CA-O 3.31Å; Q148-D174 PolarHBondContact N-O 3.08Å; Q148-D174 PolarHBondContact O-N 3.39Å; D174-S176 VanDerWaalsContact C-N 3.29Å; D174-S176 PolarHBondContact O-N 2.92Å; D174-S176 WeakPolarHBondContact OD1-CB 3.5Å; D174-S176 PolarHBondContact OD1-N 3.42Å; D174-S176 PolarHBondContact OD1-OG 3.2Å
175	G	91.4	Very high	88.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.			trans	-84.7	13	177.2	0	0	0	0	0	114.7	F159 D177 A181 R185	F159-G175 PolarHBondContact O-N 3.4Å; G175-D177 VanDerWaalsContact C-N 3.29Å; G175-D177 PolarHBondContact O-N 3.2Å; G175-A181 VanDerWaalsContact O-CB 3.31Å; G175-A181 WeakPolarHBondContact O-CB 3.33Å; G175-R185 PolarHBondContact O-NE 3.36Å
176	S	89.9	Confident	89.3	Confident	50 Å²	50	47.1 Å²	47.1	35%	0.35	23%	0.226	S	C	.	.			trans	-61.6	-34	-176.3	-62.1	0	0	0	0	113.5	D174 E178 R185	D174-S176 VanDerWaalsContact C-N 3.29Å; D174-S176 PolarHBondContact O-N 2.92Å; D174-S176 WeakPolarHBondContact OD1-CB 3.5Å; D174-S176 PolarHBondContact OD1-N 3.42Å; D174-S176 PolarHBondContact OD1-OG 3.2Å; S176-E178 PolarHBondContact O-N 2.99Å; S176-R185 PolarHBondContact O-NH2 3.48Å
177	D	90.4	Very high	90	Very high	55 Å²	55	41.5 Å²	41.5	29%	0.294	20%	0.202	S	C	.	.			trans	-83.9	105.7	179.9	-175.7	-19.1	0	0	0	112.1	G175 T179 K180 A181	G175-D177 VanDerWaalsContact C-N 3.29Å; G175-D177 PolarHBondContact O-N 3.2Å; D177-T179 PolarHBondContact O-N 3.04Å; D177-T179 WeakPolarHBondContact OD1-CA 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.27Å; D177-T179 PolarHBondContact OD1-N 3.23Å; D177-T179 PolarHBondContact OD1-OG1 2.64Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 HydrophobicContact CB-CG 4.47Å; D177-K180 PolarHBondContact O-N 2.95Å; D177-K180 IonicContact OD2-NZ 2.78Å; D177-K180 PolarHBondContact OD2-NZ 2.93Å; D177-A181 WeakPolarHBondContact O-CB 3.39Å; D177-A181 PolarHBondContact O-N 3.31Å
178	E	92.9	Very high	90.8	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.8	179.9	-72.1	171.6	-176.5	0	0	114.7	R108 A109 S176 R185	R108-E178 WeakPolarHBondContact CB-O 3.16Å; R108-E178 PolarHBondContact N-O 3.29Å; A109-E178 HydrophobicContact CB-CB 4.44Å; A109-E178 PolarHBondContact N-O 3.18Å; S176-E178 PolarHBondContact O-N 2.99Å; E178-R185 IonicContact OE1-CZ 2.96Å; E178-R185 IonicContact OE1-NH1 4Å; E178-R185 PolarHBondContact OE1-NH1 3.23Å; E178-R185 IonicContact OE1-NH2 2.94Å; E178-R185 PolarHBondContact OE1-NH2 3.36Å
179	T	92.6	Very high	91.5	Very high	39 Å²	39	37.6 Å²	37.6	24%	0.239	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.3	176.6	75.2	0	0	0	0	113	G104 I105 R108 D177	G104-T179 PolarHBondContact N-O 3.14Å; I105-T179 WeakPolarHBondContact O-CA 3.39Å; I105-T179 WeakPolarHBondContact O-CB 3.17Å; I105-T179 WeakPolarHBondContact O-CG2 3.44Å; R108-T179 VanDerWaalsContact CD-O 3.26Å; R108-T179 WeakPolarHBondContact CD-O 3.4Å; D177-T179 PolarHBondContact O-N 3.04Å; D177-T179 WeakPolarHBondContact OD1-CA 3.23Å; D177-T179 WeakPolarHBondContact OD1-CB 3.27Å; D177-T179 PolarHBondContact OD1-N 3.23Å; D177-T179 PolarHBondContact OD1-OG1 2.64Å
180	K	91.6	Very high	91.9	Very high	88 Å²	88	31.4 Å²	31.4	38%	0.383	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-24.3	-179.6	-58.4	-166.7	-171.6	82.6	0	114.1	V103 R108 D177	V103-K180 HydrophobicContact CG1-CG 4.43Å; R108-K180 PolarHBondContact NH1-O 2.66Å; D177-K180 HydrophobicContact CB-CB 4.39Å; D177-K180 HydrophobicContact CB-CG 4.47Å; D177-K180 PolarHBondContact O-N 2.95Å; D177-K180 IonicContact OD2-NZ 2.78Å; D177-K180 PolarHBondContact OD2-NZ 2.93Å
181	A	95.6	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.			trans	-79.6	170.3	177.1	0	0	0	0	0	112.2	R108 A109 E146 G175 D177	R108-A181 PolarHBondContact NH1-O 3Å; A109-A181 HydrophobicContact CB-CB 4.46Å; E146-A181 WeakPolarHBondContact O-CA 3.45Å; G175-A181 VanDerWaalsContact O-CB 3.31Å; G175-A181 WeakPolarHBondContact O-CB 3.33Å; D177-A181 WeakPolarHBondContact O-CB 3.39Å; D177-A181 PolarHBondContact O-N 3.31Å
182	N	96.9	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.			trans	-112.9	176.6	169.4	70.2	-27.7	0	0	0	111.6	D98 T112 P144 E146 M184 R185	D98-N182 VanDerWaalsContact OD2-CB 3.28Å; D98-N182 WeakPolarHBondContact OD2-CB 3.36Å; D98-N182 PolarHBondContact OD2-ND2 3.22Å; T112-N182 HydrophobicContact CG2-CB 4.47Å; T112-N182 VanDerWaalsContact OG1-CA 3.3Å; T112-N182 WeakPolarHBondContact OG1-CA 3.46Å; T112-N182 WeakPolarHBondContact OG1-CB 3.09Å; P144-N182 PolarHBondContact O-ND2 3.44Å; E146-N182 HydrophobicContact CB-CB 4.07Å; E146-N182 HydrophobicContact CG-CB 4.24Å; E146-N182 PolarHBondContact N-OD1 2.97Å; N182-M184 PolarHBondContact ND2-SD 2.72Å; N182-M184 VanDerWaalsContact ND2-SD 3.39Å; N182-M184 PolarHBondContact O-N 3.49Å; N182-M184 VanDerWaalsContact O-N 3.08Å; N182-R185 WeakPolarHBondContact O-CG 3.45Å; N182-R185 PolarHBondContact O-N 2.91Å
183	W	96.9	Very high	91.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-55.8	-26.8	-174.2	67.6	-85.1	0	0	0	114	D98 A109 T112 I113 P114 M117 V129 F142 R185 Y186 V187 L221	D98-W183 VanDerWaalsContact CG-NE1 3.27Å; D98-W183 PolarHBondContact OD1-NE1 2.91Å; D98-W183 PolarHBondContact OD2-NE1 3.11Å; A109-W183 WeakPolarHBondContact O-CA 3.36Å; A109-W183 VanDerWaalsContact O-CB 3.29Å; A109-W183 WeakPolarHBondContact O-CB 3.41Å; A109-W183 PolarHBondContact O-N 3.05Å; T112-W183 PolarHBondContact OG1-N 2.93Å; I113-W183 HydrophobicContact CB-CB 4.15Å; I113-W183 HydrophobicContact CB-CG 4.49Å; I113-W183 HydrophobicContact CD1-CB 3.87Å; I113-W183 HydrophobicContact CD1-CD2 3.66Å; I113-W183 HydrophobicContact CD1-CE3 3.46Å; I113-W183 VanDerWaalsContact CD1-CE3 3.46Å; I113-W183 HydrophobicContact CD1-CG 3.85Å; I113-W183 HydrophobicContact CD1-CZ3 4.21Å; P114-W183 VanDerWaalsContact CD-CE2 3.47Å; P114-W183 HydrophobicContact CG-CZ2 3.89Å; M117-W183 HydrophobicContact CE-CH2 4.12Å; M117-W183 HydrophobicContact SD-CE3 4.49Å; M117-W183 HydrophobicContact SD-CH2 3.59Å; M117-W183 VanDerWaalsContact SD-CH2 3.59Å; M117-W183 HydrophobicContact SD-CZ2 4.23Å; M117-W183 HydrophobicContact SD-CZ3 3.76Å; V129-W183 HydrophobicContact CG1-CE3 4.19Å; V129-W183 HydrophobicContact CG1-CZ3 4.16Å; V129-W183 HydrophobicContact CG2-CE3 4.43Å; F142-W183 HydrophobicContact CB-CH2 4.14Å; F142-W183 HydrophobicContact CB-CZ2 3.87Å; F142-W183 AromaticContact CD1-CH2 3.9Å; F142-W183 HydrophobicContact CD1-CH2 3.9Å; F142-W183 AromaticContact CD1-CZ2 3.72Å; F142-W183 HydrophobicContact CD1-CZ2 3.72Å; F142-W183 HydrophobicContact CG-CH2 4.06Å; F142-W183 HydrophobicContact CG-CZ2 4.05Å; W183-R185 PolarHBondContact O-N 3.35Å; W183-Y186 WeakPolarHBondContact O-CB 3.44Å; W183-Y186 WeakPolarHBondContact O-CD2 3.29Å; W183-Y186 PolarHBondContact O-N 2.93Å; W183-V187 HydrophobicContact CE3-CG2 4.02Å; W183-V187 HydrophobicContact CZ3-CG2 3.59Å; W183-L221 HydrophobicContact CH2-CD2 4.17Å; W183-L221 HydrophobicContact CZ3-CD2 3.75Å
184	M	97.2	Very high	90.9	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-57.3	-19.6	179.2	-62.2	175.3	76.9	0	0	113	F142 G143 Y145 N182 Y186 V187 F209	F142-M184 HydrophobicContact CB-CE 4.48Å; F142-M184 WeakPolarHBondContact O-CE 3.27Å; G143-M184 WeakPolarHBondContact CA-SD 3.31Å; Y145-M184 HydrophobicContact CD2-CB 3.55Å; Y145-M184 HydrophobicContact CD2-CE 4.46Å; Y145-M184 HydrophobicContact CD2-SD 4.49Å; Y145-M184 HydrophobicContact CE2-CB 3.94Å; Y145-M184 HydrophobicContact CG-CB 4.49Å; N182-M184 PolarHBondContact ND2-SD 2.72Å; N182-M184 VanDerWaalsContact ND2-SD 3.39Å; N182-M184 PolarHBondContact O-N 3.49Å; N182-M184 VanDerWaalsContact O-N 3.08Å; M184-Y186 PolarHBondContact O-N 2.95Å; M184-V187 PolarHBondContact O-N 3.49Å; M184-F209 HydrophobicContact CB-CE2 3.9Å; M184-F209 HydrophobicContact CB-CZ 4.41Å; M184-F209 HydrophobicContact CE-CB 4Å; M184-F209 HydrophobicContact CE-CD1 3.68Å; M184-F209 HydrophobicContact CE-CD2 3.4Å; M184-F209 HydrophobicContact CE-CE1 3.95Å; M184-F209 HydrophobicContact CE-CE2 3.68Å; M184-F209 HydrophobicContact CE-CG 3.4Å; M184-F209 HydrophobicContact CE-CZ 3.95Å; M184-F209 HydrophobicContact CG-CD2 4.49Å; M184-F209 HydrophobicContact CG-CE2 4.37Å
185	R	94.7	Very high	90.9	Very high	19 Å²	19	59.4 Å²	59.4	7%	0.072	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.4	-23	172.7	79.5	-175	-66.8	-92.8	14.4	114.2	A109 F159 G175 S176 E178 N182 W183	A109-R185 VanDerWaalsContact CB-CD 3.48Å; A109-R185 HydrophobicContact CB-CG 4.27Å; F159-R185 HydrophobicContact CD1-CB 4.15Å; F159-R185 WeakPolarHBondContact CD1-O 3.39Å; F159-R185 WeakPolarHBondContact CE1-O 3.48Å; G175-R185 PolarHBondContact O-NE 3.36Å; S176-R185 PolarHBondContact O-NH2 3.48Å; E178-R185 IonicContact OE1-CZ 2.96Å; E178-R185 IonicContact OE1-NH1 4Å; E178-R185 PolarHBondContact OE1-NH1 3.23Å; E178-R185 IonicContact OE1-NH2 2.94Å; E178-R185 PolarHBondContact OE1-NH2 3.36Å; N182-R185 WeakPolarHBondContact O-CG 3.45Å; N182-R185 PolarHBondContact O-N 2.91Å; W183-R185 PolarHBondContact O-N 3.35Å
186	Y	94.9	Very high	90.9	Very high	12 Å²	12	60.5 Å²	60.5	5%	0.047	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-92.7	-3.2	-178.5	-58.8	-60.7	0	0	0	113.3	A109 A110 V119 S127 W183 M184 V188	A109-Y186 HydrophobicContact CB-CE2 3.9Å; A110-Y186 HydrophobicContact CB-CE2 3.96Å; V119-Y186 HydrophobicContact CG1-CD2 3.66Å; V119-Y186 HydrophobicContact CG1-CE2 4.08Å; V119-Y186 HydrophobicContact CG1-CG 3.91Å; V119-Y186 HydrophobicContact CG2-CD2 4.04Å; S127-Y186 VanDerWaalsContact CB-CD1 3.44Å; W183-Y186 WeakPolarHBondContact O-CB 3.44Å; W183-Y186 WeakPolarHBondContact O-CD2 3.29Å; W183-Y186 PolarHBondContact O-N 2.93Å; M184-Y186 PolarHBondContact O-N 2.95Å; Y186-V188 PolarHBondContact O-N 3.39Å
187	V	95.4	Very high	91.2	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.055	26%	0.262	C	S	.	.	S	Bend	trans	-77.1	117.4	179	177.9	0	0	0	0	109.6	V129 W183 M184 I189 L198 F209 L221 V223	V129-V187 HydrophobicContact CB-CG2 4.33Å; V129-V187 HydrophobicContact CG2-CG2 4.04Å; W183-V187 HydrophobicContact CE3-CG2 4.02Å; W183-V187 HydrophobicContact CZ3-CG2 3.59Å; M184-V187 PolarHBondContact O-N 3.49Å; V187-I189 PolarHBondContact O-N 3.15Å; V187-L198 HydrophobicContact CG1-CD1 3.99Å; V187-F209 HydrophobicContact CB-CE2 3.96Å; V187-F209 HydrophobicContact CG1-CD2 4.47Å; V187-F209 HydrophobicContact CG1-CE2 4.2Å; V187-F209 HydrophobicContact CG2-CD2 4.49Å; V187-F209 HydrophobicContact CG2-CE2 4.18Å; V187-L221 HydrophobicContact CG1-CB 3.97Å; V187-L221 HydrophobicContact CG2-CB 4.44Å; V187-L221 HydrophobicContact CG2-CD2 4.17Å; V187-V223 HydrophobicContact CG1-CB 3.83Å; V187-V223 HydrophobicContact CG1-CG1 3.8Å
188	V	92.1	Very high	91.6	Very high	56 Å²	56	55.5 Å²	55.5	34%	0.339	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	127.6	-177.4	178.8	0	0	0	0	111.2	D128 Y186 V223	D128-V188 HydrophobicContact CB-CG2 4.31Å; D128-V188 WeakPolarHBondContact OD1-CG2 3.35Å; Y186-V188 PolarHBondContact O-N 3.39Å; V188-V223 PolarHBondContact O-N 3.28Å
189	I	90.7	Very high	91.7	Very high	69 Å²	69	53.9 Å²	53.9	35%	0.354	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.9	172.9	-55.5	176.5	0	0	0	108.8	W161 V187 V223 W224	W161-I189 HydrophobicContact CH2-CD1 4.5Å; W161-I189 HydrophobicContact CZ2-CD1 4.03Å; W161-I189 HydrophobicContact CZ2-CG1 4.37Å; V187-I189 PolarHBondContact O-N 3.15Å; I189-V223 CarbonylContact C-O 3.47Å; I189-V223 VanDerWaalsContact CA-O 3.29Å; I189-V223 WeakPolarHBondContact CA-O 3.28Å; I189-V223 HydrophobicContact CB-CG1 4.38Å; I189-V223 HydrophobicContact CG1-CG1 3.85Å; I189-W224 HydrophobicContact CG2-CE3 3.68Å; I189-W224 HydrophobicContact CG2-CZ3 3.74Å
190	S	87.3	Confident	91.9	Very high	10 Å²	10	52 Å²	52	7%	0.07	23%	0.23	C	C	.	.			trans	-121.5	141.1	179.7	-176.6	0	0	0	0	113.9	E192 E195 Q196 V223	S190-E192 PolarHBondContact OG-N 3.42Å; S190-E192 VanDerWaalsContact OG-N 3.15Å; S190-E195 WeakPolarHBondContact CB-OE1 3.24Å; S190-E195 PolarHBondContact OG-OE1 3.47Å; S190-Q196 PolarHBondContact O-NE2 2.91Å; S190-V223 PolarHBondContact N-O 2.68Å
191	R	77.4	Confident	92.1	Very high	215 Å²	215	48.8 Å²	48.8	81%	0.811	22%	0.216	S	C	*	.			trans	-90.4	-8.7	174.8	-65.7	179.2	-176.2	-167.6	0.6	113.5	E193 W224	R191-E193 PolarHBondContact O-N 3.32Å; R191-W224 HydrophobicContact CG-CE3 4.21Å; R191-W224 HydrophobicContact CG-CH2 3.59Å; R191-W224 HydrophobicContact CG-CZ2 4.29Å; R191-W224 HydrophobicContact CG-CZ3 3.53Å
192	E	84.3	Confident	92	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	22%	0.218	S	C	.	.			trans	-89.6	103.7	-177.9	176.8	59	-137.7	0	0	110	S190 R194 E195 Q196	S190-E192 PolarHBondContact OG-N 3.42Å; S190-E192 VanDerWaalsContact OG-N 3.15Å; E192-R194 HydrophobicContact CG-CB 4.22Å; E192-R194 PolarHBondContact O-N 2.97Å; E192-R194 WeakPolarHBondContact OE1-CB 3.28Å; E192-R194 WeakPolarHBondContact OE1-CD 3.46Å; E192-R194 WeakPolarHBondContact OE1-CG 3.34Å; E192-R194 IonicContact OE1-NE 3.53Å; E192-E195 HydrophobicContact CB-CG 4.18Å; E192-E195 HydrophobicContact CG-CG 4.41Å; E192-E195 PolarHBondContact O-N 3.45Å; E192-E195 VanDerWaalsContact O-N 3.08Å; E192-Q196 WeakPolarHBondContact O-CG 3.27Å; E192-Q196 PolarHBondContact O-N 3.14Å
193	E	81.3	Confident	91.7	Very high	164 Å²	164	50.1 Å²	50.1	77%	0.766	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-28.3	-177.8	-169.8	-178.3	-172.5	0	0	113.3	R191	R191-E193 PolarHBondContact O-N 3.32Å
194	R	84.6	Confident	91.4	Very high	218 Å²	218	53.1 Å²	53.1	82%	0.823	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.6	-179.2	-63.2	178	-176.7	-162.6	-0.2	114.9	E192	E192-R194 HydrophobicContact CG-CB 4.22Å; E192-R194 PolarHBondContact O-N 2.97Å; E192-R194 WeakPolarHBondContact OE1-CB 3.28Å; E192-R194 WeakPolarHBondContact OE1-CD 3.46Å; E192-R194 WeakPolarHBondContact OE1-CG 3.34Å; E192-R194 IonicContact OE1-NE 3.53Å
195	E	90.3	Very high	91	Very high	79 Å²	79	55 Å²	55	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-25.9	176.5	69.4	171.3	162.4	0	0	112.3	S190 E192 N197 R213 R222	S190-E195 WeakPolarHBondContact CB-OE1 3.24Å; S190-E195 PolarHBondContact OG-OE1 3.47Å; E192-E195 HydrophobicContact CB-CG 4.18Å; E192-E195 HydrophobicContact CG-CG 4.41Å; E192-E195 PolarHBondContact O-N 3.45Å; E192-E195 VanDerWaalsContact O-N 3.08Å; E195-N197 PolarHBondContact O-N 3.35Å; E195-R213 PolarHBondContact O-NH2 3.01Å; E195-R222 HydrophobicContact CB-CG 4.15Å; E195-R222 HydrophobicContact CG-CB 4.17Å; E195-R222 HydrophobicContact CG-CG 3.82Å; E195-R222 IonicContact OE1-NE 2.8Å; E195-R222 VanDerWaalsContact OE2-CD 3.31Å; E195-R222 WeakPolarHBondContact OE2-CD 3.12Å; E195-R222 IonicContact OE2-NE 3.87Å; E195-R222 PolarHBondContact OE2-NE 3.46Å
196	Q	92.3	Very high	91	Very high	23 Å²	23	58.4 Å²	58.4	11%	0.107	27%	0.265	C	S	.	.			trans	-46.8	134.2	177.3	-74.5	170.3	14.2	0	0	112.4	S190 E192 R213 W224	S190-Q196 PolarHBondContact O-NE2 2.91Å; E192-Q196 WeakPolarHBondContact O-CG 3.27Å; E192-Q196 PolarHBondContact O-N 3.14Å; Q196-R213 PolarHBondContact O-NE 3.47Å; Q196-W224 VanDerWaalsContact CD-CB 3.42Å; Q196-W224 HydrophobicContact CG-CB 3.96Å; Q196-W224 VanDerWaalsContact NE2-CB 3.3Å; Q196-W224 VanDerWaalsContact NE2-CG 3.33Å
197	N	96.1	Very high	91	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	26%	0.262	C	S	.	.			trans	-143	-10	176.1	55.1	26.2	0	0	0	113.5	E195 A211 C212 R213 I215 W220 R222	E195-N197 PolarHBondContact O-N 3.35Å; N197-A211 WeakPolarHBondContact O-CA 3.48Å; N197-C212 PolarHBondContact O-N 2.98Å; N197-C212 PolarHBondContact O-SG 2.83Å; N197-R213 HydrophobicContact CB-CG 3.95Å; N197-I215 HydrophobicContact CB-CD1 3.98Å; N197-I215 HydrophobicContact CB-CG1 4.02Å; N197-W220 PolarHBondContact ND2-O 3.03Å; N197-R222 PolarHBondContact N-O 3.09Å; N197-R222 PolarHBondContact OD1-N 3.09Å; N197-R222 PolarHBondContact OD1-O 3.11Å
198	L	97.8	Very high	91.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.3	172	-68.1	172.2	0	0	0	111.4	F142 V187 F209 R210 A211 I215 L221 R222 V223 W224	F142-L198 HydrophobicContact CD2-CD2 3.88Å; F142-L198 HydrophobicContact CE2-CD2 3.93Å; V187-L198 HydrophobicContact CG1-CD1 3.99Å; L198-F209 HydrophobicContact CB-CB 4.43Å; L198-F209 HydrophobicContact CD1-CB 4.42Å; L198-F209 HydrophobicContact CD1-CD2 4.29Å; L198-F209 HydrophobicContact CD2-CB 4.35Å; L198-R210 CarbonylContact C-O 3.6Å; L198-R210 VanDerWaalsContact CA-O 3.29Å; L198-R210 WeakPolarHBondContact CA-O 3.34Å; L198-A211 HydrophobicContact CD2-CB 4.45Å; L198-I215 HydrophobicContact CD2-CD1 4.08Å; L198-I215 HydrophobicContact CG-CD1 4.24Å; L198-L221 HydrophobicContact CD1-CB 3.96Å; L198-L221 HydrophobicContact CD1-CD2 3.78Å; L198-L221 HydrophobicContact CD1-CG 3.85Å; L198-R222 PolarHBondContact N-O 3.21Å; L198-V223 HydrophobicContact CB-CB 3.93Å; L198-V223 HydrophobicContact CB-CG2 3.87Å; L198-V223 WeakPolarHBondContact O-CA 3.35Å; L198-W224 PolarHBondContact O-N 2.77Å
199	L	96.7	Very high	91.4	Very high	31 Å²	31	56.2 Å²	56.2	16%	0.162	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.9	168.3	-68.5	178	0	0	0	110.8	F209 R210 C212 W224	L199-F209 CarbonylContact O-C 3.52Å; L199-F209 WeakPolarHBondContact O-CA 3.44Å; L199-R210 HydrophobicContact CB-CG 4.15Å; L199-R210 PolarHBondContact N-O 3.26Å; L199-R210 PolarHBondContact O-N 3.33Å; L199-C212 HydrophobicContact CD1-CB 3.87Å; L199-C212 HydrophobicContact CG-CB 3.94Å; L199-W224 CarbonylContact C-O 3.57Å; L199-W224 WeakPolarHBondContact CA-O 3.5Å; L199-W224 HydrophobicContact CD2-CB 4.39Å
200	A	96.4	Very high	91.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.6	178.4	0	0	0	0	0	111.8	W161 Y208 F209 V223 W224 S226	W161-A200 HydrophobicContact CE3-CB 4.29Å; W161-A200 HydrophobicContact CH2-CB 3.37Å; W161-A200 HydrophobicContact CZ2-CB 4.43Å; W161-A200 HydrophobicContact CZ3-CB 3.26Å; A200-Y208 CarbonylContact C-O 3.39Å; A200-Y208 WeakPolarHBondContact CA-O 3.48Å; A200-F209 HydrophobicContact CB-CD1 3.49Å; A200-F209 VanDerWaalsContact CB-CD1 3.49Å; A200-F209 HydrophobicContact CB-CE1 3.62Å; A200-V223 HydrophobicContact CB-CG2 3.8Å; A200-W224 PolarHBondContact N-O 3.28Å; A200-S226 WeakPolarHBondContact O-CB 3.42Å; A200-S226 PolarHBondContact O-N 3.32Å; A200-S226 PolarHBondContact O-OG 3.44Å
201	F	94.8	Very high	92.2	Very high	21 Å²	21	53.2 Å²	53.2	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.6	-177.9	71.1	-75.3	0	0	0	113	W74 I141 H203 I207 Y208 R210	W74-F201 AromaticContact CE3-CE2 3.9Å; W74-F201 HydrophobicContact CE3-CE2 3.9Å; W74-F201 HydrophobicContact CE3-CZ 4.13Å; W74-F201 AromaticContact CZ3-CE2 3.81Å; W74-F201 HydrophobicContact CZ3-CE2 3.81Å; W74-F201 AromaticContact CZ3-CZ 3.94Å; W74-F201 HydrophobicContact CZ3-CZ 3.94Å; I141-F201 HydrophobicContact CD1-CZ 4.14Å; I141-F201 HydrophobicContact CG2-CE1 4.2Å; I141-F201 HydrophobicContact CG2-CZ 4.03Å; F201-H203 HydrophobicContact CD2-CB 4.41Å; F201-H203 HydrophobicContact CE2-CB 4.05Å; F201-I207 WeakPolarHBondContact O-CA 3.39Å; F201-Y208 VanDerWaalsContact CD1-O 3.26Å; F201-Y208 WeakPolarHBondContact CD1-O 3.4Å; F201-Y208 HydrophobicContact CZ-CG 4.3Å; F201-Y208 PolarHBondContact N-O 3.34Å; F201-Y208 PolarHBondContact O-N 2.85Å; F201-R210 HydrophobicContact CD1-CB 4.41Å; F201-R210 HydrophobicContact CD1-CG 4.24Å; F201-R210 HydrophobicContact CE1-CB 3.91Å; F201-R210 HydrophobicContact CE1-CG 4.21Å
202	Q	93.6	Very high	93	Very high	11 Å²	11	44.1 Å²	44.1	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.9	175.1	-175.8	-172.9	-43.7	0	0	111.2	I163 V164 R206 I207 Y229	I163-Q202 HydrophobicContact CG2-CG 4.29Å; V164-Q202 PolarHBondContact O-NE2 3.12Å; Q202-R206 CarbonylContact C-O 3.6Å; Q202-R206 VanDerWaalsContact CA-O 3.27Å; Q202-R206 WeakPolarHBondContact CA-O 3.47Å; Q202-R206 WeakPolarHBondContact CG-O 3.38Å; Q202-I207 HydrophobicContact CB-CD1 4.08Å; Q202-Y229 HydrophobicContact CB-CD2 3.9Å; Q202-Y229 HydrophobicContact CB-CE2 4.36Å
203	H	91.8	Very high	93.5	Very high	16 Å²	16	43.1 Å²	43.1	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.9	167.9	-169.7	-77.8	0	0	0	110.2	D72 W74 F201 E205 R206 Y208	D72-H203 VanDerWaalsContact CB-CD2 3.43Å; D72-H203 WeakPolarHBondContact CB-CD2 3.1Å; D72-H203 WeakPolarHBondContact CB-NE2 3.5Å; D72-H203 PolarHBondContact O-NE2 3.4Å; W74-H203 AromaticContact CD2-CD2 3.89Å; W74-H203 AromaticContact CD2-NE2 3.83Å; W74-H203 AromaticContact CE2-CD2 3.94Å; W74-H203 AromaticContact CE2-CE1 3.73Å; W74-H203 AromaticContact CE2-NE2 3.47Å; W74-H203 AromaticContact CE3-CD2 3.78Å; W74-H203 HydrophobicContact CH2-CB 4.13Å; W74-H203 AromaticContact CH2-CD2 3.78Å; W74-H203 AromaticContact CH2-CE1 3.6Å; W74-H203 AromaticContact CH2-CG 3.52Å; W74-H203 AromaticContact CH2-ND1 3.39Å; W74-H203 WeakPolarHBondContact CH2-ND1 3.34Å; W74-H203 AromaticContact CH2-NE2 3.86Å; W74-H203 AromaticContact CZ2-CD2 3.9Å; W74-H203 AromaticContact CZ2-CE1 3.27Å; W74-H203 WeakPolarHBondContact CZ2-CE1 3.25Å; W74-H203 AromaticContact CZ2-CG 3.98Å; W74-H203 AromaticContact CZ2-ND1 3.59Å; W74-H203 AromaticContact CZ2-NE2 3.5Å; W74-H203 WeakPolarHBondContact CZ2-NE2 3.36Å; W74-H203 HydrophobicContact CZ3-CB 3.97Å; W74-H203 AromaticContact CZ3-CD2 3.73Å; W74-H203 AromaticContact CZ3-CG 3.65Å; W74-H203 AromaticContact NE1-NE2 3.92Å; F201-H203 HydrophobicContact CD2-CB 4.41Å; F201-H203 HydrophobicContact CE2-CB 4.05Å; H203-E205 PolarHBondContact O-N 2.93Å; H203-R206 PolarHBondContact N-O 3.11Å; H203-R206 PolarHBondContact O-N 2.8Å; H203-Y208 HydrophobicContact CB-CD2 3.99Å; H203-Y208 HydrophobicContact CB-CE2 3.99Å
204	S	89.4	Confident	94.2	Very high	64 Å²	64	39.4 Å²	39.4	45%	0.448	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	45.5	177.3	-64.4	0	0	0	0	114.9	D72 R206	D72-S204 WeakPolarHBondContact OD2-CA 3.12Å; D72-S204 PolarHBondContact OD2-N 2.9Å; S204-R206 PolarHBondContact O-N 2.7Å
205	E	89.9	Confident	94.8	Very high	42 Å²	42	29 Å²	29	20%	0.196	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	25.7	-174	-61.1	-176.4	-123.4	0	0	114.5	I163 D165 K166 K171 H203	I163-E205 HydrophobicContact CD1-CB 4.35Å; I163-E205 WeakPolarHBondContact CD1-O 3.44Å; D165-E205 WeakPolarHBondContact CB-OE2 3.48Å; K166-E205 VanDerWaalsContact CD-OE1 3.3Å; K166-E205 WeakPolarHBondContact CD-OE1 3.39Å; K166-E205 WeakPolarHBondContact CE-OE1 3.49Å; K166-E205 WeakPolarHBondContact CG-OE1 3.4Å; K166-E205 IonicContact NZ-OE1 3.5Å; K171-E205 IonicContact NZ-OE2 3.19Å; K171-E205 PolarHBondContact NZ-OE2 3.38Å; H203-E205 PolarHBondContact O-N 2.93Å
206	R	93.5	Very high	95	Very high	89 Å²	89	33.3 Å²	33.3	34%	0.336	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161	173.5	-61.4	-62.7	-176	141.4	4.2	111.1	P144 Q202 H203 S204 Y208	P144-R206 HydrophobicContact CB-CB 3.76Å; P144-R206 HydrophobicContact CB-CG 4.03Å; Q202-R206 CarbonylContact C-O 3.6Å; Q202-R206 VanDerWaalsContact CA-O 3.27Å; Q202-R206 WeakPolarHBondContact CA-O 3.47Å; Q202-R206 WeakPolarHBondContact CG-O 3.38Å; H203-R206 PolarHBondContact N-O 3.11Å; H203-R206 PolarHBondContact O-N 2.8Å; S204-R206 PolarHBondContact O-N 2.7Å; R206-Y208 HydrophobicContact CB-CD2 4.46Å; R206-Y208 HydrophobicContact CB-CE2 3.79Å
207	I	95.8	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.8	171.8	-61.7	-62.9	0	0	0	109.4	P144 Y145 W161 I163 I173 F201 Q202 F209 Y229	P144-I207 CarbonylContact C-O 3.53Å; P144-I207 VanDerWaalsContact CA-O 3.31Å; P144-I207 WeakPolarHBondContact CA-O 3.49Å; Y145-I207 PolarHBondContact N-O 2.86Å; W161-I207 HydrophobicContact CB-CG1 3.91Å; W161-I207 HydrophobicContact CD2-CG2 4.12Å; W161-I207 HydrophobicContact CE3-CD1 4.49Å; W161-I207 HydrophobicContact CE3-CG1 4.44Å; W161-I207 HydrophobicContact CE3-CG2 3.91Å; W161-I207 HydrophobicContact CG-CG1 4.39Å; W161-I207 HydrophobicContact CG-CG2 4.48Å; W161-I207 HydrophobicContact CZ3-CG2 4.44Å; I163-I207 HydrophobicContact CG2-CD1 3.75Å; I163-I207 HydrophobicContact CG2-CG1 3.8Å; I173-I207 HydrophobicContact CD1-CG1 4.35Å; F201-I207 WeakPolarHBondContact O-CA 3.39Å; Q202-I207 HydrophobicContact CB-CD1 4.08Å; I207-F209 HydrophobicContact CG2-CD1 4.28Å; I207-F209 HydrophobicContact CG2-CE1 3.93Å; I207-Y229 HydrophobicContact CD1-CD2 4.09Å; I207-Y229 HydrophobicContact CD1-CE2 3.44Å; I207-Y229 VanDerWaalsContact CD1-CE2 3.44Å
208	Y	97.3	Very high	95	Very high	31 Å²	31	37.5 Å²	37.5	12%	0.122	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	153.4	173	-64.4	-91.7	0	0	0	109.4	F95 I141 F142 P144 A200 F201 H203 R206	F95-Y208 HydrophobicContact CE1-CD1 4.41Å; F95-Y208 HydrophobicContact CE1-CE1 4.27Å; I141-Y208 HydrophobicContact CG2-CD1 4.05Å; I141-Y208 HydrophobicContact CG2-CG 4.27Å; F142-Y208 WeakPolarHBondContact O-CA 3.43Å; P144-Y208 HydrophobicContact CB-CD1 4.41Å; P144-Y208 HydrophobicContact CB-CE1 3.85Å; P144-Y208 HydrophobicContact CB-CE2 4.43Å; P144-Y208 HydrophobicContact CG-CE1 4.35Å; A200-Y208 CarbonylContact C-O 3.39Å; A200-Y208 WeakPolarHBondContact CA-O 3.48Å; F201-Y208 VanDerWaalsContact CD1-O 3.26Å; F201-Y208 WeakPolarHBondContact CD1-O 3.4Å; F201-Y208 HydrophobicContact CZ-CG 4.3Å; F201-Y208 PolarHBondContact N-O 3.34Å; F201-Y208 PolarHBondContact O-N 2.85Å; H203-Y208 HydrophobicContact CB-CD2 3.99Å; H203-Y208 HydrophobicContact CB-CE2 3.99Å; R206-Y208 HydrophobicContact CB-CD2 4.46Å; R206-Y208 HydrophobicContact CB-CE2 3.79Å
209	F	98	Very high	94.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.7	170.6	-56.9	-17.2	0	0	0	109.1	I141 F142 Y145 W161 M184 V187 L198 L199 A200 I207 V223	I141-F209 CarbonylContact C-O 3.58Å; I141-F209 WeakPolarHBondContact CA-O 3.49Å; F142-F209 HydrophobicContact CB-CB 4.4Å; F142-F209 PolarHBondContact N-O 2.85Å; F142-F209 PolarHBondContact O-N 3.01Å; Y145-F209 HydrophobicContact CD2-CZ 4.03Å; Y145-F209 HydrophobicContact CE2-CZ 4.44Å; W161-F209 AromaticContact CH2-CE1 3.81Å; W161-F209 HydrophobicContact CH2-CE1 3.81Å; W161-F209 HydrophobicContact CH2-CZ 4.24Å; W161-F209 AromaticContact CZ2-CE1 3.62Å; W161-F209 HydrophobicContact CZ2-CE1 3.62Å; W161-F209 AromaticContact CZ2-CZ 3.64Å; W161-F209 HydrophobicContact CZ2-CZ 3.64Å; W161-F209 HydrophobicContact CZ3-CE1 4.36Å; M184-F209 HydrophobicContact CB-CE2 3.9Å; M184-F209 HydrophobicContact CB-CZ 4.41Å; M184-F209 HydrophobicContact CE-CB 4Å; M184-F209 HydrophobicContact CE-CD1 3.68Å; M184-F209 HydrophobicContact CE-CD2 3.4Å; M184-F209 HydrophobicContact CE-CE1 3.95Å; M184-F209 HydrophobicContact CE-CE2 3.68Å; M184-F209 HydrophobicContact CE-CG 3.4Å; M184-F209 HydrophobicContact CE-CZ 3.95Å; M184-F209 HydrophobicContact CG-CD2 4.49Å; M184-F209 HydrophobicContact CG-CE2 4.37Å; V187-F209 HydrophobicContact CB-CE2 3.96Å; V187-F209 HydrophobicContact CG1-CD2 4.47Å; V187-F209 HydrophobicContact CG1-CE2 4.2Å; V187-F209 HydrophobicContact CG2-CD2 4.49Å; V187-F209 HydrophobicContact CG2-CE2 4.18Å; L198-F209 HydrophobicContact CB-CB 4.43Å; L198-F209 HydrophobicContact CD1-CB 4.42Å; L198-F209 HydrophobicContact CD1-CD2 4.29Å; L198-F209 HydrophobicContact CD2-CB 4.35Å; L199-F209 CarbonylContact O-C 3.52Å; L199-F209 WeakPolarHBondContact O-CA 3.44Å; A200-F209 HydrophobicContact CB-CD1 3.49Å; A200-F209 VanDerWaalsContact CB-CD1 3.49Å; A200-F209 HydrophobicContact CB-CE1 3.62Å; I207-F209 HydrophobicContact CG2-CD1 4.28Å; I207-F209 HydrophobicContact CG2-CE1 3.93Å; F209-V223 HydrophobicContact CD1-CG2 3.91Å; F209-V223 HydrophobicContact CD2-CG2 4.19Å; F209-V223 HydrophobicContact CE1-CG2 4.11Å; F209-V223 HydrophobicContact CE2-CG1 4.43Å; F209-V223 HydrophobicContact CE2-CG2 4.37Å; F209-V223 HydrophobicContact CG-CG2 3.97Å; F209-V223 HydrophobicContact CZ-CG1 4.39Å; F209-V223 HydrophobicContact CZ-CG2 4.33Å
210	R	97.2	Very high	94.8	Very high	15 Å²	15	43 Å²	43	6%	0.057	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	175.9	70	-164.9	-179.1	137.5	5.7	112	E77 H140 I141 L198 L199 F201 C212	E77-R210 HydrophobicContact CG-CG 4.41Å; E77-R210 IonicContact OE1-CZ 2.71Å; E77-R210 IonicContact OE1-NE 3.05Å; E77-R210 PolarHBondContact OE1-NE 2.88Å; E77-R210 IonicContact OE1-NH1 3.11Å; E77-R210 PolarHBondContact OE1-NH1 3.05Å; E77-R210 IonicContact OE1-NH2 3.48Å; E77-R210 PolarHBondContact OE1-NH2 2.82Å; E77-R210 VanDerWaalsContact OE1-NH2 3.13Å; H140-R210 CarbonylContact O-C 3.58Å; H140-R210 VanDerWaalsContact O-CA 3.27Å; H140-R210 WeakPolarHBondContact O-CA 3.36Å; I141-R210 HydrophobicContact CG1-CB 4.21Å; L198-R210 CarbonylContact C-O 3.6Å; L198-R210 VanDerWaalsContact CA-O 3.29Å; L198-R210 WeakPolarHBondContact CA-O 3.34Å; L199-R210 HydrophobicContact CB-CG 4.15Å; L199-R210 PolarHBondContact N-O 3.26Å; L199-R210 PolarHBondContact O-N 3.33Å; F201-R210 HydrophobicContact CD1-CB 4.41Å; F201-R210 HydrophobicContact CD1-CG 4.24Å; F201-R210 HydrophobicContact CE1-CB 3.91Å; F201-R210 HydrophobicContact CE1-CG 4.21Å; R210-C212 PolarHBondContact O-N 3.44Å
211	A	97.2	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	110.4	176.7	0	0	0	0	0	111.3	I136 G139 H140 N197 L198 R213 I215	I136-A211 HydrophobicContact CG2-CB 4.32Å; G139-A211 PolarHBondContact N-O 3.39Å; H140-A211 PolarHBondContact O-N 3.18Å; N197-A211 WeakPolarHBondContact O-CA 3.48Å; L198-A211 HydrophobicContact CD2-CB 4.45Å; A211-R213 VanDerWaalsContact C-N 3.34Å; A211-I215 HydrophobicContact CB-CD1 4.33Å; A211-I215 HydrophobicContact CB-CG1 4.49Å
212	C	94.6	Very high	94.9	Very high	25 Å²	25	43.3 Å²	43.3	17%	0.169	21%	0.212	C	C	.	.	S	Bend	trans	-83.4	-12.9	179	63.4	0	0	0	0	113.5	K138 N197 L199 R210	K138-C212 VanDerWaalsContact CD-O 3.23Å; K138-C212 WeakPolarHBondContact CD-O 3.3Å; K138-C212 WeakPolarHBondContact CE-O 3.5Å; K138-C212 PolarHBondContact NZ-O 2.85Å; N197-C212 PolarHBondContact O-N 2.98Å; N197-C212 PolarHBondContact O-SG 2.83Å; L199-C212 HydrophobicContact CD1-CB 3.87Å; L199-C212 HydrophobicContact CG-CB 3.94Å; R210-C212 PolarHBondContact O-N 3.44Å
213	R	95.5	Very high	95.1	Very high	76 Å²	76	42.8 Å²	42.8	29%	0.287	21%	0.21	S	C	.	.	S	Bend	trans	-146.3	166	169.7	63.4	-179	-178.4	90.2	-9.1	109.6	E195 Q196 N197 A211 I215 E219	E195-R213 PolarHBondContact O-NH2 3.01Å; Q196-R213 PolarHBondContact O-NE 3.47Å; N197-R213 HydrophobicContact CB-CG 3.95Å; A211-R213 VanDerWaalsContact C-N 3.34Å; R213-I215 PolarHBondContact O-N 3Å; R213-E219 IonicContact CZ-OE1 2.76Å; R213-E219 VanDerWaalsContact CZ-OE1 3.3Å; R213-E219 IonicContact NH1-OE1 3.46Å; R213-E219 PolarHBondContact NH1-OE1 3.09Å; R213-E219 IonicContact NH1-OE2 2.74Å; R213-E219 PolarHBondContact NH1-OE2 3.45Å; R213-E219 IonicContact NH2-OE1 2.67Å; R213-E219 PolarHBondContact NH2-OE1 3.21Å
214	D	96.3	Very high	95.2	Very high	86 Å²	86	44.8 Å²	44.8	46%	0.46	22%	0.217	S	C	.	.			trans	-61	134.3	170.8	-59	-26.7	0	0	0	110.1	V135 I136 K138	V135-D214 HydrophobicContact CG1-CB 3.8Å; I136-D214 WeakPolarHBondContact O-CA 3.34Å; K138-D214 WeakPolarHBondContact CB-OD1 3.5Å; K138-D214 PolarHBondContact N-OD1 3.3Å
215	I	97	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-110.4	117.4	179.6	-37.1	-173.9	0	0	0	108.7	C131 V135 I136 N197 L198 A211 R213 E219	C131-I215 HydrophobicContact CB-CG2 4.24Å; V135-I215 CarbonylContact C-O 3.53Å; V135-I215 WeakPolarHBondContact CA-O 3.23Å; I136-I215 HydrophobicContact CB-CB 4.05Å; I136-I215 HydrophobicContact CB-CG1 4.27Å; I136-I215 HydrophobicContact CD1-CB 4.18Å; I136-I215 HydrophobicContact CD1-CD1 4.44Å; I136-I215 HydrophobicContact CG2-CD1 4.45Å; I136-I215 HydrophobicContact CG2-CG1 4.42Å; I136-I215 PolarHBondContact N-O 3.49Å; I136-I215 PolarHBondContact O-N 3.38Å; N197-I215 HydrophobicContact CB-CD1 3.98Å; N197-I215 HydrophobicContact CB-CG1 4.02Å; L198-I215 HydrophobicContact CD2-CD1 4.08Å; L198-I215 HydrophobicContact CG-CD1 4.24Å; A211-I215 HydrophobicContact CB-CD1 4.33Å; A211-I215 HydrophobicContact CB-CG1 4.49Å; R213-I215 PolarHBondContact O-N 3Å; I215-E219 HydrophobicContact CG2-CB 3.87Å
216	R	94.9	Very high	95.4	Very high	169 Å²	169	43.1 Å²	43.1	64%	0.638	20%	0.199	S	C	*	.			trans	-87.8	153.3	-173.6	-60.9	-177.3	175.9	-154.5	-4.1	112.2	C131 V135 G218 E219	C131-R216 WeakPolarHBondContact CB-O 3.49Å; V135-R216 HydrophobicContact CG2-CG 4.39Å; R216-G218 PolarHBondContact O-N 3.1Å; R216-E219 HydrophobicContact CB-CG 4.27Å; R216-E219 PolarHBondContact N-OE2 3.2Å; R216-E219 WeakPolarHBondContact O-CB 3.45Å; R216-E219 PolarHBondContact O-N 3.2Å
217	P	95.2	Very high	95	Very high	61 Å²	61	44.4 Å²	44.4	40%	0.396	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	128.6	168.4	-29.2	37.1	0	0	0	111.7	N133	N133-P217 VanDerWaalsContact O-CG 3.26Å; N133-P217 WeakPolarHBondContact O-CG 3.38Å
218	G	91.4	Very high	94.5	Very high	50 Å²	50	46.3 Å²	46.3	52%	0.515	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-12.3	-173.5	0	0	0	0	0	115.6	C131 R216	C131-G218 PolarHBondContact O-N 3.25Å; R216-G218 PolarHBondContact O-N 3.1Å
219	E	95.4	Very high	94	Very high	51 Å²	51	45 Å²	45	24%	0.238	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-76.5	136.6	171.3	-72.3	-169.3	101.6	0	0	111.7	R130 C131 R213 I215 R216	R130-E219 WeakPolarHBondContact CA-O 3.49Å; R130-E219 WeakPolarHBondContact CB-O 3.26Å; C131-E219 PolarHBondContact N-O 3.37Å; R213-E219 IonicContact CZ-OE1 2.76Å; R213-E219 VanDerWaalsContact CZ-OE1 3.3Å; R213-E219 IonicContact NH1-OE1 3.46Å; R213-E219 PolarHBondContact NH1-OE1 3.09Å; R213-E219 IonicContact NH1-OE2 2.74Å; R213-E219 PolarHBondContact NH1-OE2 3.45Å; R213-E219 IonicContact NH2-OE1 2.67Å; R213-E219 PolarHBondContact NH2-OE1 3.21Å; I215-E219 HydrophobicContact CG2-CB 3.87Å; R216-E219 HydrophobicContact CB-CG 4.27Å; R216-E219 PolarHBondContact N-OE2 3.2Å; R216-E219 WeakPolarHBondContact O-CB 3.45Å; R216-E219 PolarHBondContact O-N 3.2Å
220	W	96.1	Very high	93.3	Very high	95 Å²	95	47.6 Å²	47.6	36%	0.36	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-76.7	145.4	171.7	-58.8	99.2	0	0	0	111.1	V120 D128 V129 R130 N197	V120-W220 HydrophobicContact CB-CH2 3.93Å; V120-W220 HydrophobicContact CB-CZ3 3.9Å; V120-W220 HydrophobicContact CG1-CH2 4.15Å; V120-W220 HydrophobicContact CG2-CH2 3.94Å; V120-W220 HydrophobicContact CG2-CZ3 3.92Å; D128-W220 HydrophobicContact CB-CE3 3.88Å; D128-W220 HydrophobicContact CB-CZ3 3.82Å; D128-W220 VanDerWaalsContact CG-CE3 3.43Å; V129-W220 CarbonylContact O-C 3.58Å; V129-W220 WeakPolarHBondContact O-CA 3.16Å; R130-W220 HydrophobicContact CB-CD2 4.15Å; R130-W220 HydrophobicContact CB-CE3 3.74Å; R130-W220 HydrophobicContact CB-CZ3 4.05Å; R130-W220 HydrophobicContact CG-CE3 4.41Å; R130-W220 HydrophobicContact CG-CZ3 4.21Å; N197-W220 PolarHBondContact ND2-O 3.03Å
221	L	96.9	Very high	92.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-80.1	127.6	177.5	-84.1	62.5	0	0	0	109.6	M117 V129 W183 V187 L198	M117-L221 HydrophobicContact CE-CD2 3.74Å; M117-L221 HydrophobicContact SD-CD2 3.92Å; V129-L221 HydrophobicContact CB-CB 4.37Å; V129-L221 HydrophobicContact CB-CD2 4.25Å; V129-L221 HydrophobicContact CG1-CD1 4.45Å; V129-L221 HydrophobicContact CG1-CD2 3.87Å; V129-L221 PolarHBondContact O-N 3.16Å; W183-L221 HydrophobicContact CH2-CD2 4.17Å; W183-L221 HydrophobicContact CZ3-CD2 3.75Å; V187-L221 HydrophobicContact CG1-CB 3.97Å; V187-L221 HydrophobicContact CG2-CB 4.44Å; V187-L221 HydrophobicContact CG2-CD2 4.17Å; L198-L221 HydrophobicContact CD1-CB 3.96Å; L198-L221 HydrophobicContact CD1-CD2 3.78Å; L198-L221 HydrophobicContact CD1-CG 3.85Å
222	R	96.8	Very high	91.8	Very high	28 Å²	28	54.6 Å²	54.6	11%	0.106	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	106.1	-175.6	-65.9	-66.9	177.4	-101.2	9	108.6	D128 E195 N197 L198	D128-R222 VanDerWaalsContact CG-NH1 3.27Å; D128-R222 IonicContact OD1-CZ 2.76Å; D128-R222 IonicContact OD1-NH1 2.72Å; D128-R222 PolarHBondContact OD1-NH1 2.69Å; D128-R222 IonicContact OD1-NH2 3.77Å; D128-R222 IonicContact OD2-CZ 3.28Å; D128-R222 VanDerWaalsContact OD2-CZ 3.3Å; D128-R222 IonicContact OD2-NH1 3.94Å; D128-R222 PolarHBondContact OD2-NH1 3.06Å; D128-R222 IonicContact OD2-NH2 3.77Å; D128-R222 PolarHBondContact OD2-NH2 2.82Å; E195-R222 HydrophobicContact CB-CG 4.15Å; E195-R222 HydrophobicContact CG-CB 4.17Å; E195-R222 HydrophobicContact CG-CG 3.82Å; E195-R222 IonicContact OE1-NE 2.8Å; E195-R222 VanDerWaalsContact OE2-CD 3.31Å; E195-R222 WeakPolarHBondContact OE2-CD 3.12Å; E195-R222 IonicContact OE2-NE 3.87Å; E195-R222 PolarHBondContact OE2-NE 3.46Å; N197-R222 PolarHBondContact N-O 3.09Å; N197-R222 PolarHBondContact OD1-N 3.09Å; N197-R222 PolarHBondContact OD1-O 3.11Å; L198-R222 PolarHBondContact N-O 3.21Å
223	V	96.3	Very high	90.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141.8	-176.4	73.4	0	0	0	0	111.6	V187 V188 I189 S190 L198 A200 F209	V187-V223 HydrophobicContact CG1-CB 3.83Å; V187-V223 HydrophobicContact CG1-CG1 3.8Å; V188-V223 PolarHBondContact O-N 3.28Å; I189-V223 CarbonylContact C-O 3.47Å; I189-V223 VanDerWaalsContact CA-O 3.29Å; I189-V223 WeakPolarHBondContact CA-O 3.28Å; I189-V223 HydrophobicContact CB-CG1 4.38Å; I189-V223 HydrophobicContact CG1-CG1 3.85Å; S190-V223 PolarHBondContact N-O 2.68Å; L198-V223 HydrophobicContact CB-CB 3.93Å; L198-V223 HydrophobicContact CB-CG2 3.87Å; L198-V223 WeakPolarHBondContact O-CA 3.35Å; A200-V223 HydrophobicContact CB-CG2 3.8Å; F209-V223 HydrophobicContact CD1-CG2 3.91Å; F209-V223 HydrophobicContact CD2-CG2 4.19Å; F209-V223 HydrophobicContact CE1-CG2 4.11Å; F209-V223 HydrophobicContact CE2-CG1 4.43Å; F209-V223 HydrophobicContact CE2-CG2 4.37Å; F209-V223 HydrophobicContact CG-CG2 3.97Å; F209-V223 HydrophobicContact CZ-CG1 4.39Å; F209-V223 HydrophobicContact CZ-CG2 4.33Å
224	W	94.3	Very high	89.5	Confident	57 Å²	57	55.9 Å²	55.9	22%	0.216	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	171.3	164.1	-168.5	-117.9	0	0	0	110.8	I189 R191 Q196 L198 L199 A200	I189-W224 HydrophobicContact CG2-CE3 3.68Å; I189-W224 HydrophobicContact CG2-CZ3 3.74Å; R191-W224 HydrophobicContact CG-CE3 4.21Å; R191-W224 HydrophobicContact CG-CH2 3.59Å; R191-W224 HydrophobicContact CG-CZ2 4.29Å; R191-W224 HydrophobicContact CG-CZ3 3.53Å; Q196-W224 VanDerWaalsContact CD-CB 3.42Å; Q196-W224 HydrophobicContact CG-CB 3.96Å; Q196-W224 VanDerWaalsContact NE2-CB 3.3Å; Q196-W224 VanDerWaalsContact NE2-CG 3.33Å; L198-W224 PolarHBondContact O-N 2.77Å; L199-W224 CarbonylContact C-O 3.57Å; L199-W224 WeakPolarHBondContact CA-O 3.5Å; L199-W224 HydrophobicContact CD2-CB 4.39Å; A200-W224 PolarHBondContact N-O 3.28Å
225	Y	92.1	Very high	87.7	Confident	71 Å²	71	55.8 Å²	55.8	28%	0.278	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.2	-179.8	-52.1	-58.6	0	0	0	110.6	W161 Y229 M230	W161-Y225 HydrophobicContact CE3-CE1 4.3Å; W161-Y225 HydrophobicContact CH2-CD1 4.06Å; W161-Y225 AromaticContact CH2-CE1 3.75Å; W161-Y225 HydrophobicContact CH2-CE1 3.75Å; W161-Y225 AromaticContact CZ3-CD1 3.64Å; W161-Y225 HydrophobicContact CZ3-CD1 3.64Å; W161-Y225 AromaticContact CZ3-CE1 3.5Å; W161-Y225 HydrophobicContact CZ3-CE1 3.5Å; Y225-Y229 AromaticContact CD1-CD1 3.92Å; Y225-Y229 HydrophobicContact CD1-CD1 3.92Å; Y225-Y229 AromaticContact CD1-CE1 3.59Å; Y225-Y229 HydrophobicContact CD1-CE1 3.59Å; Y225-Y229 HydrophobicContact CE1-CE1 4.16Å; Y225-Y229 HydrophobicContact CG-CD1 4.41Å; Y225-Y229 HydrophobicContact CG-CE1 4.41Å; Y225-M230 VanDerWaalsContact CB-CG 3.48Å; Y225-M230 HydrophobicContact CG-CG 4.36Å
226	S	91.4	Very high	85.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.279	C	S	.	.			trans	-65.5	152.3	169.3	88.1	0	0	0	0	110.2	A200 D228 Y229 M230	A200-S226 WeakPolarHBondContact O-CB 3.42Å; A200-S226 PolarHBondContact O-N 3.32Å; A200-S226 PolarHBondContact O-OG 3.44Å; S226-D228 PolarHBondContact O-N 3.48Å; S226-D228 PolarHBondContact OG-N 3.02Å; S226-Y229 PolarHBondContact O-N 3.39Å; S226-Y229 WeakPolarHBondContact OG-CB 3.47Å; S226-Y229 PolarHBondContact OG-N 2.76Å; S226-Y229 VanDerWaalsContact OG-N 3.12Å; S226-M230 WeakPolarHBondContact O-CG 3.5Å; S226-M230 PolarHBondContact O-N 2.9Å
227	E	85.6	Confident	83.4	Confident	117 Å²	117	50.3 Å²	50.3	55%	0.547	25%	0.252	S	S	.	.	H	α-helix	trans	-57.7	-33.8	177.9	-152.8	-164.7	153.9	0	0	111.6	M230 K231	E227-M230 CarbonylContact O-C 3.55Å; E227-M230 PolarHBondContact O-N 3.26Å; E227-K231 WeakPolarHBondContact O-CB 3.49Å; E227-K231 VanDerWaalsContact O-CG 3.23Å; E227-K231 WeakPolarHBondContact O-CG 3.25Å; E227-K231 PolarHBondContact O-N 3.38Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.37Å; E227-K231 PolarHBondContact OE1-NZ 3.17Å; E227-K231 IonicContact OE2-NZ 2.71Å; E227-K231 PolarHBondContact OE2-NZ 3.02Å
228	D	84.6	Confident	80.6	Confident	39 Å²	39	53.9 Å²	53.9	21%	0.209	26%	0.264	C	S	.	.	H	α-helix	trans	-79.8	-33.5	-175.2	-39.5	-48.3	0	0	0	112.2	Y82 S226 K231 R232	Y82-D228 PolarHBondContact OH-OD1 2.94Å; Y82-D228 PolarHBondContact OH-OD2 3.5Å; S226-D228 PolarHBondContact O-N 3.48Å; S226-D228 PolarHBondContact OG-N 3.02Å; D228-K231 PolarHBondContact O-N 3.31Å; D228-R232 VanDerWaalsContact O-CB 3.29Å; D228-R232 WeakPolarHBondContact O-CB 3.28Å; D228-R232 PolarHBondContact O-N 3.49Å
229	Y	87	Confident	78	Confident	5 Å²	5	57 Å²	57	2%	0.02	27%	0.265	C	S	.	.	H	α-helix	trans	-72.2	-39.2	170.5	173.5	-115.3	0	0	0	111	W161 L162 Q202 I207 Y225 S226 R232 L233	W161-Y229 AromaticContact CE3-CE1 3.91Å; W161-Y229 HydrophobicContact CE3-CE1 3.91Å; W161-Y229 AromaticContact CE3-CZ 3.96Å; W161-Y229 AromaticContact CZ3-CE1 3.83Å; W161-Y229 HydrophobicContact CZ3-CE1 3.83Å; L162-Y229 PolarHBondContact N-OH 3.25Å; L162-Y229 VanDerWaalsContact O-CE2 3.29Å; L162-Y229 WeakPolarHBondContact O-CE2 3.39Å; L162-Y229 PolarHBondContact O-OH 3.46Å; Q202-Y229 HydrophobicContact CB-CD2 3.9Å; Q202-Y229 HydrophobicContact CB-CE2 4.36Å; I207-Y229 HydrophobicContact CD1-CD2 4.09Å; I207-Y229 HydrophobicContact CD1-CE2 3.44Å; I207-Y229 VanDerWaalsContact CD1-CE2 3.44Å; Y225-Y229 AromaticContact CD1-CD1 3.92Å; Y225-Y229 HydrophobicContact CD1-CD1 3.92Å; Y225-Y229 AromaticContact CD1-CE1 3.59Å; Y225-Y229 HydrophobicContact CD1-CE1 3.59Å; Y225-Y229 HydrophobicContact CE1-CE1 4.16Å; Y225-Y229 HydrophobicContact CG-CD1 4.41Å; Y225-Y229 HydrophobicContact CG-CE1 4.41Å; S226-Y229 PolarHBondContact O-N 3.39Å; S226-Y229 WeakPolarHBondContact OG-CB 3.47Å; S226-Y229 PolarHBondContact OG-N 2.76Å; S226-Y229 VanDerWaalsContact OG-N 3.12Å; Y229-R232 PolarHBondContact O-N 2.75Å; Y229-L233 HydrophobicContact CD1-CD1 4.35Å; Y229-L233 HydrophobicContact CD2-CD1 4.42Å; Y229-L233 HydrophobicContact CD2-CG 4.31Å; Y229-L233 HydrophobicContact CE1-CD1 3.8Å; Y229-L233 HydrophobicContact CE2-CD1 3.89Å; Y229-L233 HydrophobicContact CE2-CD2 4.23Å; Y229-L233 HydrophobicContact CE2-CG 3.99Å; Y229-L233 WeakPolarHBondContact O-CB 3.24Å; Y229-L233 WeakPolarHBondContact O-CG 3.37Å; Y229-L233 PolarHBondContact O-N 3.16Å
230	M	84.5	Confident	75.5	Confident	54 Å²	54	56 Å²	56	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-47.7	166.7	-71.3	-167.8	-69.4	0	0	110.9	Y225 S226 E227 R232 L233 H234	Y225-M230 VanDerWaalsContact CB-CG 3.48Å; Y225-M230 HydrophobicContact CG-CG 4.36Å; S226-M230 WeakPolarHBondContact O-CG 3.5Å; S226-M230 PolarHBondContact O-N 2.9Å; E227-M230 CarbonylContact O-C 3.55Å; E227-M230 PolarHBondContact O-N 3.26Å; M230-R232 PolarHBondContact O-N 3.18Å; M230-L233 PolarHBondContact O-N 3.42Å; M230-H234 WeakPolarHBondContact O-CB 3.16Å; M230-H234 VanDerWaalsContact O-CG 3.29Å; M230-H234 PolarHBondContact O-N 3.41Å; M230-H234 PolarHBondContact O-ND1 2.95Å
231	K	80.1	Confident	72.6	Confident	92 Å²	92	55.2 Å²	55.2	40%	0.4	26%	0.264	S	S	.	.	H	α-helix	trans	-61.1	-43.6	176.9	-75.5	162.6	-176.2	164.2	0	112.4	E227 D228 L233 H234 S235	E227-K231 WeakPolarHBondContact O-CB 3.49Å; E227-K231 VanDerWaalsContact O-CG 3.23Å; E227-K231 WeakPolarHBondContact O-CG 3.25Å; E227-K231 PolarHBondContact O-N 3.38Å; E227-K231 WeakPolarHBondContact OE1-CE 3.37Å; E227-K231 IonicContact OE1-NZ 3.37Å; E227-K231 PolarHBondContact OE1-NZ 3.17Å; E227-K231 IonicContact OE2-NZ 2.71Å; E227-K231 PolarHBondContact OE2-NZ 3.02Å; D228-K231 PolarHBondContact O-N 3.31Å; K231-L233 PolarHBondContact O-N 3.1Å; K231-H234 PolarHBondContact O-N 3.07Å; K231-S235 WeakPolarHBondContact O-CB 3.48Å; K231-S235 PolarHBondContact O-N 2.9Å
232	R	82.1	Confident	69.6	Low	71 Å²	71	59.7 Å²	59.7	27%	0.268	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-42.9	178.1	-171.4	-179.3	-63.6	-137.3	2.5	112.1	D72 V164 D228 Y229 M230	D72-R232 IonicContact OD1-CZ 2.86Å; D72-R232 IonicContact OD1-NH1 2.84Å; D72-R232 PolarHBondContact OD1-NH1 3.23Å; D72-R232 IonicContact OD1-NH2 3.1Å; D72-R232 PolarHBondContact OD1-NH2 3.25Å; D72-R232 IonicContact OD2-NH1 3.56Å; V164-R232 HydrophobicContact CB-CG 4.33Å; V164-R232 HydrophobicContact CG2-CG 4.14Å; D228-R232 VanDerWaalsContact O-CB 3.29Å; D228-R232 WeakPolarHBondContact O-CB 3.28Å; D228-R232 PolarHBondContact O-N 3.49Å; Y229-R232 PolarHBondContact O-N 2.75Å; M230-R232 PolarHBondContact O-N 3.18Å
233	L	76.1	Confident	66.8	Low	29 Å²	29	63 Å²	63	15%	0.152	30%	0.298	C	S	.	.	H	α-helix	trans	-68.6	-44.1	171.8	-66.9	179	0	0	0	111.3	L162 V164 Y170 Y229 M230 K231 S235 M236 S237	L162-L233 HydrophobicContact CB-CD2 3.68Å; L162-L233 HydrophobicContact CD1-CD2 4.42Å; V164-L233 HydrophobicContact CG2-CD2 4.42Å; Y170-L233 HydrophobicContact CD1-CD2 4.36Å; Y170-L233 HydrophobicContact CE1-CD2 3.88Å; Y170-L233 PolarHBondContact OH-O 3.19Å; Y170-L233 VanDerWaalsContact OH-O 3.12Å; Y229-L233 HydrophobicContact CD1-CD1 4.35Å; Y229-L233 HydrophobicContact CD2-CD1 4.42Å; Y229-L233 HydrophobicContact CD2-CG 4.31Å; Y229-L233 HydrophobicContact CE1-CD1 3.8Å; Y229-L233 HydrophobicContact CE2-CD1 3.89Å; Y229-L233 HydrophobicContact CE2-CD2 4.23Å; Y229-L233 HydrophobicContact CE2-CG 3.99Å; Y229-L233 WeakPolarHBondContact O-CB 3.24Å; Y229-L233 WeakPolarHBondContact O-CG 3.37Å; Y229-L233 PolarHBondContact O-N 3.16Å; M230-L233 PolarHBondContact O-N 3.42Å; K231-L233 PolarHBondContact O-N 3.1Å; L233-S235 PolarHBondContact O-N 3.02Å; L233-M236 CarbonylContact O-C 3.55Å; L233-M236 PolarHBondContact O-N 2.99Å; L233-M236 VanDerWaalsContact O-N 3.1Å; L233-S237 WeakPolarHBondContact O-CB 3.32Å; L233-S237 PolarHBondContact O-N 3.39Å
234	H	66.1	Low	63.8	Low	99 Å²	99	66.4 Å²	66.4	46%	0.458	32%	0.316	S	S	.	.	H	α-helix	trans	-69.3	-33	-173	-77.1	102.4	0	0	0	113.4	M230 K231 M236 S237 Q238	M230-H234 WeakPolarHBondContact O-CB 3.16Å; M230-H234 VanDerWaalsContact O-CG 3.29Å; M230-H234 PolarHBondContact O-N 3.41Å; M230-H234 PolarHBondContact O-ND1 2.95Å; K231-H234 PolarHBondContact O-N 3.07Å; H234-M236 PolarHBondContact O-N 2.95Å; H234-S237 VanDerWaalsContact CA-OG 3.23Å; H234-S237 WeakPolarHBondContact CA-OG 3.5Å; H234-S237 PolarHBondContact CD2-OG 3.24Å; H234-S237 WeakPolarHBondContact O-CA 3.42Å; H234-S237 PolarHBondContact O-N 2.8Å; H234-S237 PolarHBondContact O-OG 3.01Å; H234-Q238 PolarHBondContact O-N 3.39Å
235	S	57.3	Low	61	Low	83 Å²	83	69.3 Å²	69.3	58%	0.58	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.2	172	-171	0	0	0	0	113.5	K231 L233	K231-S235 WeakPolarHBondContact O-CB 3.48Å; K231-S235 PolarHBondContact O-N 2.9Å; L233-S235 PolarHBondContact O-N 3.02Å
236	M	53	Low	58.4	Low	41 Å²	41	67.7 Å²	67.7	20%	0.202	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-5.4	171.9	-59	-54.7	-49.9	0	0	112.1	V164 N168 Y170 L233 H234 T240	V164-M236 HydrophobicContact CG1-CG 4.3Å; V164-M236 HydrophobicContact CG2-CG 4.14Å; N168-M236 HydrophobicContact CB-CE 4.33Å; N168-M236 HydrophobicContact CB-SD 4.23Å; N168-M236 VanDerWaalsContact O-CE 3.3Å; N168-M236 WeakPolarHBondContact O-CE 3.48Å; Y170-M236 HydrophobicContact CE1-CB 4.14Å; Y170-M236 HydrophobicContact CE2-CB 3.95Å; Y170-M236 VanDerWaalsContact OH-CB 3.28Å; Y170-M236 WeakPolarHBondContact OH-CB 3.33Å; Y170-M236 PolarHBondContact OH-O 2.78Å; Y170-M236 VanDerWaalsContact OH-O 3.14Å; L233-M236 CarbonylContact O-C 3.55Å; L233-M236 PolarHBondContact O-N 2.99Å; L233-M236 VanDerWaalsContact O-N 3.1Å; H234-M236 PolarHBondContact O-N 2.95Å; M236-T240 PolarHBondContact O-OG1 3.26Å
237	S	48.5	Very low	55.8	Low	13 Å²	13	76 Å²	76	9%	0.091	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-24.8	-173.9	88.3	0	0	0	0	113.8	Y170 L233 H234 E239 T240 I241	Y170-S237 PolarHBondContact OH-N 2.85Å; L233-S237 WeakPolarHBondContact O-CB 3.32Å; L233-S237 PolarHBondContact O-N 3.39Å; H234-S237 VanDerWaalsContact CA-OG 3.23Å; H234-S237 WeakPolarHBondContact CA-OG 3.5Å; H234-S237 PolarHBondContact CD2-OG 3.24Å; H234-S237 WeakPolarHBondContact O-CA 3.42Å; H234-S237 PolarHBondContact O-N 2.8Å; H234-S237 PolarHBondContact O-OG 3.01Å; S237-E239 PolarHBondContact O-N 3.01Å; S237-T240 CarbonylContact O-C 3.55Å; S237-T240 WeakPolarHBondContact O-CA 3.38Å; S237-T240 PolarHBondContact O-N 3.49Å; S237-I241 WeakPolarHBondContact O-CB 3.4Å; S237-I241 WeakPolarHBondContact O-CG1 3.13Å; S237-I241 PolarHBondContact O-N 2.84Å; S237-I241 VanDerWaalsContact OG-CD1 3.26Å; S237-I241 WeakPolarHBondContact OG-CD1 3.25Å
238	Q	36.6	Very low	53.3	Low	137 Å²	137	72.1 Å²	72.1	64%	0.64	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-36.3	179.1	-77.3	-174.2	-28.6	0	0	111.2	H234 T240	H234-Q238 PolarHBondContact O-N 3.39Å; Q238-T240 VanDerWaalsContact C-N 3.32Å; Q238-T240 PolarHBondContact O-N 2.7Å
239	E	37.8	Very low	51	Low	114 Å²	114	76.6 Å²	76.6	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-68.6	-25.1	172.2	-55.5	-177.5	149	0	0	113.6	S237	S237-E239 PolarHBondContact O-N 3.01Å
240	T	41.8	Very low	48.7	Very low	30 Å²	30	82.1 Å²	82.1	18%	0.184	40%	0.399	C	S	.	.	H	α-helix	trans	-105.3	-29.1	-170.7	-57	0	0	0	0	113.8	M236 S237 Q238 R243 N244	M236-T240 PolarHBondContact O-OG1 3.26Å; S237-T240 CarbonylContact O-C 3.55Å; S237-T240 WeakPolarHBondContact O-CA 3.38Å; S237-T240 PolarHBondContact O-N 3.49Å; Q238-T240 VanDerWaalsContact C-N 3.32Å; Q238-T240 PolarHBondContact O-N 2.7Å; T240-R243 WeakPolarHBondContact O-CB 3.35Å; T240-R243 PolarHBondContact O-N 3.14Å; T240-N244 WeakPolarHBondContact O-CB 3.35Å; T240-N244 PolarHBondContact O-N 3.2Å
241	I	36.3	Very low	46.4	Very low	79 Å²	79	87.8 Å²	87.8	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-67.9	-41	178	-72.7	173.5	0	0	0	110.2	S237 R243 N244 L245	S237-I241 WeakPolarHBondContact O-CB 3.4Å; S237-I241 WeakPolarHBondContact O-CG1 3.13Å; S237-I241 PolarHBondContact O-N 2.84Å; S237-I241 VanDerWaalsContact OG-CD1 3.26Å; S237-I241 WeakPolarHBondContact OG-CD1 3.25Å; I241-R243 VanDerWaalsContact C-N 3.28Å; I241-R243 PolarHBondContact O-N 3.43Å; I241-N244 PolarHBondContact O-N 2.87Å; I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 PolarHBondContact O-N 2.84Å
242	H	34.1	Very low	44.2	Very low	95 Å²	95	88.6 Å²	88.6	44%	0.44	43%	0.426	S	S	.	.	H	α-helix	trans	-57.6	-42.5	174.4	-161.4	-108.4	0	0	0	111.3	V246 F818	H242-V246 WeakPolarHBondContact O-CG2 3.43Å; H242-F818 AromaticContact CE1-CD1 3.85Å; H242-F818 AromaticContact CE1-CE1 3.98Å
243	R	36.6	Very low	42.2	Very low	97 Å²	97	91.1 Å²	91.1	37%	0.366	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-41.4	175.6	-164	-174.4	73.4	-175	6.8	113	D153 T240 I241	D153-R243 IonicContact OD2-NH2 3.84Å; D153-R243 PolarHBondContact OD2-NH2 3.4Å; T240-R243 WeakPolarHBondContact O-CB 3.35Å; T240-R243 PolarHBondContact O-N 3.14Å; I241-R243 VanDerWaalsContact C-N 3.28Å; I241-R243 PolarHBondContact O-N 3.43Å
244	N	35	Very low	40.4	Very low	72 Å²	72	97.2 Å²	97.2	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-82.8	-33.9	-172.1	-77.6	-14	0	0	0	114.3	T240 I241 R247 G248	T240-N244 WeakPolarHBondContact O-CB 3.35Å; T240-N244 PolarHBondContact O-N 3.2Å; I241-N244 PolarHBondContact O-N 2.87Å; N244-R247 WeakPolarHBondContact O-CB 3.23Å; N244-R247 PolarHBondContact O-N 2.97Å; N244-R247 VanDerWaalsContact O-N 3.14Å; N244-G248 PolarHBondContact O-N 3.2Å; N244-G248 VanDerWaalsContact O-N 3.08Å
245	L	33.6	Very low	38.9	Very low	117 Å²	117	96.8 Å²	96.8	61%	0.613	46%	0.46	S	S	*	.	H	α-helix	trans	-60.6	-48.4	175.3	-76	167.7	0	0	0	111.4	I241 R247 G248 E249	I241-L245 HydrophobicContact CG2-CD1 3.72Å; I241-L245 HydrophobicContact CG2-CG 4.24Å; I241-L245 PolarHBondContact O-N 2.84Å; L245-R247 PolarHBondContact O-N 3.32Å; L245-R247 VanDerWaalsContact O-N 3.16Å; L245-G248 PolarHBondContact O-N 2.99Å; L245-G248 VanDerWaalsContact O-N 3.08Å; L245-E249 PolarHBondContact O-N 3.47Å
246	V	38	Very low	38	Very low	37 Å²	37	100.4 Å²	100.4	22%	0.224	47%	0.465	C	S	.	.	H	α-helix	trans	-59.6	-26.9	176	176.1	0	0	0	0	112.2	H242 K250 F818	H242-V246 WeakPolarHBondContact O-CG2 3.43Å; V246-K250 HydrophobicContact CG1-CD 4.22Å; V246-K250 WeakPolarHBondContact O-CD 3.37Å; V246-K250 VanDerWaalsContact O-CG 3.27Å; V246-K250 WeakPolarHBondContact O-CG 3.29Å; V246-F818 HydrophobicContact CB-CZ 4.45Å; V246-F818 HydrophobicContact CG1-CE1 4.43Å; V246-F818 HydrophobicContact CG1-CZ 4.24Å; V246-F818 HydrophobicContact CG2-CE1 3.93Å; V246-F818 HydrophobicContact CG2-CZ 4.03Å
247	R	36.9	Very low	37.3	Very low	175 Å²	175	101.8 Å²	101.8	66%	0.66	48%	0.479	S	S	*	.	H	α-helix	trans	-79.8	-33.2	177.7	-147.3	177.1	-160.7	-173.3	7.1	112.8	N244 L245 R251	N244-R247 WeakPolarHBondContact O-CB 3.23Å; N244-R247 PolarHBondContact O-N 2.97Å; N244-R247 VanDerWaalsContact O-N 3.14Å; L245-R247 PolarHBondContact O-N 3.32Å; L245-R247 VanDerWaalsContact O-N 3.16Å; R247-R251 PolarHBondContact O-N 3.38Å
248	G	32.9	Very low	36.8	Very low	36 Å²	36	105.9 Å²	105.9	37%	0.371	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-49.4	177.2	0	0	0	0	0	112.6	N244 L245 K250 R251 L252	N244-G248 PolarHBondContact O-N 3.2Å; N244-G248 VanDerWaalsContact O-N 3.08Å; L245-G248 PolarHBondContact O-N 2.99Å; L245-G248 VanDerWaalsContact O-N 3.08Å; G248-K250 PolarHBondContact O-N 2.77Å; G248-R251 PolarHBondContact O-N 3.22Å; G248-R251 VanDerWaalsContact O-N 3.13Å; G248-L252 PolarHBondContact O-N 3.39Å
249	E	36.3	Very low	36.7	Very low	132 Å²	132	106.9 Å²	106.9	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-61.4	-44.2	179.8	-63.7	-171.6	140	0	0	112.2	L245 R251 L252 Q253	L245-E249 PolarHBondContact O-N 3.47Å; E249-R251 PolarHBondContact O-N 3.33Å; E249-L252 PolarHBondContact O-N 3.41Å; E249-Q253 WeakPolarHBondContact O-CG 3.17Å; E249-Q253 PolarHBondContact O-N 3.16Å
250	K	39.2	Very low	36.6	Very low	122 Å²	122	105.2 Å²	105.2	53%	0.53	51%	0.507	S	S	.	.	H	α-helix	trans	-61.4	-29	176.7	-72.5	175.7	-177.4	176.4	0	112.7	V246 G248 R254	V246-K250 HydrophobicContact CG1-CD 4.22Å; V246-K250 WeakPolarHBondContact O-CD 3.37Å; V246-K250 VanDerWaalsContact O-CG 3.27Å; V246-K250 WeakPolarHBondContact O-CG 3.29Å; G248-K250 PolarHBondContact O-N 2.77Å; K250-R254 VanDerWaalsContact O-CB 3.29Å; K250-R254 WeakPolarHBondContact O-CB 3.27Å; K250-R254 PolarHBondContact O-N 2.96Å; K250-R254 VanDerWaalsContact O-N 3.1Å
251	R	37.1	Very low	36.4	Very low	172 Å²	172	110.7 Å²	110.7	65%	0.649	53%	0.534	S	S	*	.	H	α-helix	trans	-75.6	-46.3	178	-158.4	175.6	-170.8	161.6	5.6	111.9	R247 G248 E249 Q253 R254 E255	R247-R251 PolarHBondContact O-N 3.38Å; G248-R251 PolarHBondContact O-N 3.22Å; G248-R251 VanDerWaalsContact O-N 3.13Å; E249-R251 PolarHBondContact O-N 3.33Å; R251-Q253 VanDerWaalsContact C-N 3.32Å; R251-Q253 PolarHBondContact O-N 2.98Å; R251-R254 WeakPolarHBondContact O-CB 3.21Å; R251-R254 PolarHBondContact O-N 3.23Å; R251-R254 VanDerWaalsContact O-N 3.14Å; R251-E255 IonicContact NE-OE1 2.94Å; R251-E255 PolarHBondContact O-N 3.2Å
252	L	34	Very low	36.3	Very low	110 Å²	110	113.7 Å²	113.7	58%	0.576	55%	0.551	S	S	*	*	H	α-helix	trans	-65.1	-32.4	175.1	-79.6	161.9	0	0	0	113.2	G248 E249 K256	G248-L252 PolarHBondContact O-N 3.39Å; E249-L252 PolarHBondContact O-N 3.41Å; L252-K256 WeakPolarHBondContact O-CG 3.2Å; L252-K256 PolarHBondContact O-N 3.32Å
253	Q	38.6	Very low	36.2	Very low	124 Å²	124	116.7 Å²	116.7	58%	0.579	57%	0.57	S	S	*	*	H	α-helix	trans	-69	-40.6	170.5	-73.6	175.6	1.3	0	0	112	E249 R251 K256 S257	E249-Q253 WeakPolarHBondContact O-CG 3.17Å; E249-Q253 PolarHBondContact O-N 3.16Å; R251-Q253 VanDerWaalsContact C-N 3.32Å; R251-Q253 PolarHBondContact O-N 2.98Å; Q253-K256 PolarHBondContact O-N 3.39Å; Q253-S257 WeakPolarHBondContact O-CB 3.38Å; Q253-S257 PolarHBondContact O-N 3.38Å; Q253-S257 PolarHBondContact O-OG 2.61Å
254	R	37.9	Very low	36.1	Very low	157 Å²	157	117.8 Å²	117.8	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-65.7	-46.7	178.3	-175.6	171.7	-180	151.7	10.1	113	K250 R251 K256 S257 E258	K250-R254 VanDerWaalsContact O-CB 3.29Å; K250-R254 WeakPolarHBondContact O-CB 3.27Å; K250-R254 PolarHBondContact O-N 2.96Å; K250-R254 VanDerWaalsContact O-N 3.1Å; R251-R254 WeakPolarHBondContact O-CB 3.21Å; R251-R254 PolarHBondContact O-N 3.23Å; R251-R254 VanDerWaalsContact O-N 3.14Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.06Å; R254-S257 WeakPolarHBondContact O-CA 3.47Å; R254-S257 WeakPolarHBondContact O-CB 3.46Å; R254-S257 PolarHBondContact O-N 3.35Å; R254-E258 HydrophobicContact CG-CG 4.39Å; R254-E258 IonicContact CZ-OE1 3.55Å; R254-E258 VanDerWaalsContact CZ-OE1 3.29Å; R254-E258 IonicContact NE-OE1 2.77Å; R254-E258 PolarHBondContact NE-OE1 3.24Å; R254-E258 IonicContact NE-OE2 3.13Å; R254-E258 IonicContact NH2-OE1 3.21Å; R254-E258 PolarHBondContact NH2-OE1 3.01Å; R254-E258 PolarHBondContact O-N 2.86Å
255	E	36	Very low	35.8	Very low	90 Å²	90	123.7 Å²	123.7	42%	0.421	62%	0.615	S	S	.	*	H	α-helix	trans	-61.1	-37.9	177.2	-72.3	162.5	-172.3	0	0	111.5	R251 S257 Q259	R251-E255 IonicContact NE-OE1 2.94Å; R251-E255 PolarHBondContact O-N 3.2Å; E255-S257 VanDerWaalsContact C-N 3.3Å; E255-S257 PolarHBondContact O-N 2.92Å; E255-Q259 WeakPolarHBondContact O-CB 3.34Å; E255-Q259 WeakPolarHBondContact O-CG 3.32Å; E255-Q259 PolarHBondContact O-N 2.81Å
256	K	37	Very low	35.6	Very low	158 Å²	158	125 Å²	125	69%	0.687	62%	0.623	S	S	*	*	H	α-helix	trans	-68.8	-21.9	171	-76.3	-178.9	176.7	-178.1	0	114.7	L252 Q253 R254	L252-K256 WeakPolarHBondContact O-CG 3.2Å; L252-K256 PolarHBondContact O-N 3.32Å; Q253-K256 PolarHBondContact O-N 3.39Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 3.06Å
257	S	39	Very low	35.3	Very low	70 Å²	70	129.6 Å²	129.6	49%	0.49	65%	0.646	S	S	.	*	H	α-helix	trans	-87.8	-35.5	179.2	-56.5	0	0	0	0	111.3	Q253 R254 E255 A260	Q253-S257 WeakPolarHBondContact O-CB 3.38Å; Q253-S257 PolarHBondContact O-N 3.38Å; Q253-S257 PolarHBondContact O-OG 2.61Å; R254-S257 WeakPolarHBondContact O-CA 3.47Å; R254-S257 WeakPolarHBondContact O-CB 3.46Å; R254-S257 PolarHBondContact O-N 3.35Å; E255-S257 VanDerWaalsContact C-N 3.3Å; E255-S257 PolarHBondContact O-N 2.92Å; S257-A260 PolarHBondContact O-N 3.39Å
258	E	38.1	Very low	34.8	Very low	99 Å²	99	132.2 Å²	132.2	46%	0.463	66%	0.655	S	S	.	*	H	α-helix	trans	-75.4	-36.4	177	-69.6	170.5	170.4	0	0	110.6	R254 A260 L261	R254-E258 HydrophobicContact CG-CG 4.39Å; R254-E258 IonicContact CZ-OE1 3.55Å; R254-E258 VanDerWaalsContact CZ-OE1 3.29Å; R254-E258 IonicContact NE-OE1 2.77Å; R254-E258 PolarHBondContact NE-OE1 3.24Å; R254-E258 IonicContact NE-OE2 3.13Å; R254-E258 IonicContact NH2-OE1 3.21Å; R254-E258 PolarHBondContact NH2-OE1 3.01Å; R254-E258 PolarHBondContact O-N 2.86Å; E258-A260 PolarHBondContact O-N 3.41Å; E258-L261 PolarHBondContact O-N 3.48Å
259	Q	34.1	Very low	34.4	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.743	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-12.5	170.2	-73.6	-178.4	-6.5	0	0	114.9	E255	E255-Q259 WeakPolarHBondContact O-CB 3.34Å; E255-Q259 WeakPolarHBondContact O-CG 3.32Å; E255-Q259 PolarHBondContact O-N 2.81Å
260	A	36.5	Very low	34.2	Very low	78 Å²	78	133.8 Å²	133.8	65%	0.645	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	0.1	179.9	0	0	0	0	0	113.9	S257 E258	S257-A260 PolarHBondContact O-N 3.39Å; E258-A260 PolarHBondContact O-N 3.41Å
261	L	38.2	Very low	33.6	Very low	145 Å²	145	135.4 Å²	135.4	76%	0.759	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	-20.7	-175.6	-68.4	169.5	0	0	0	114.2	E258 N263	E258-L261 PolarHBondContact O-N 3.48Å; L261-N263 PolarHBondContact O-N 2.96Å
262	D	32.9	Very low	32.9	Very low	143 Å²	143	136 Å²	136	77%	0.765	71%	0.706	S	S	*	*	S	Bend	trans	-96.5	66.8	177.3	-78.3	-34.4	0	0	0	112.1
263	N	31.6	Very low	32.5	Very low	157 Å²	157	138 Å²	138	84%	0.84	72%	0.716	S	S	*	*			trans	-161.3	98.1	163.3	-105.1	-40.6	0	0	0	111.8	L261	L261-N263 PolarHBondContact O-N 2.96Å
264	P	35.4	Very low	32	Very low	121 Å²	121	138.1 Å²	138.1	79%	0.786	73%	0.728	S	S	*	*			trans	-107.5	97.9	179.4	35.8	-27	0	0	0	112.7
265	E	29	Very low	31.4	Very low	196 Å²	196	137.2 Å²	137.2	92%	0.916	74%	0.74	S	S	*	*			trans	-158.1	147.9	151.3	-123.3	162.8	-149.5	0	0	116.3
266	D	28	Very low	31	Very low	144 Å²	144	141.3 Å²	141.3	77%	0.77	76%	0.763	S	S	*	*			trans	65.9	166	168.5	-124.1	-28.3	0	0	0	122.5
267	L	31.7	Very low	30.5	Very low	134 Å²	134	145.1 Å²	145.1	70%	0.702	77%	0.773	S	S	*	*			trans	-136.3	162.9	-142.6	-71.4	156.2	0	0	0	115.7
268	R	27.2	Very low	29.8	Very low	229 Å²	229	151 Å²	151	86%	0.864	79%	0.793	S	S	*	*			trans	93.3	106.2	137.9	-147.7	-177.6	-50.1	-106.7	-3.2	118.9
269	G	24.2	Very low	29.1	Very low	69 Å²	69	150 Å²	150	71%	0.711	81%	0.809	S	S	*	*			trans	-178.4	127.8	161.1	0	0	0	0	0	112.6
270	P	32.7	Very low	28.6	Very low	132 Å²	132	152.4 Å²	152.4	86%	0.857	82%	0.817	S	S	*	*			trans	-93.4	144.9	-179.2	35.3	-32.9	0	0	0	113.1
271	I	26	Very low	28.1	Very low	156 Å²	156	154.3 Å²	154.3	80%	0.8	83%	0.825	S	S	*	*			trans	-127.6	133.9	174.1	-62.1	179.9	0	0	0	110
272	H	23.4	Very low	27.7	Very low	184 Å²	184	152.5 Å²	152.5	85%	0.852	82%	0.823	S	S	*	*			trans	-83.9	142.1	175.2	-99.4	-103.4	0	0	0	111.9
273	L	24.9	Very low	27.2	Very low	152 Å²	152	156.7 Å²	156.7	80%	0.796	83%	0.829	S	S	*	*			trans	-105.5	133.5	159.7	-93.2	75.4	0	0	0	110.4
274	P	29.4	Very low	26.9	Very low	128 Å²	128	158.5 Å²	158.5	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-87.8	135.6	165.2	33.3	-30.5	0	0	0	111.4
275	V	25.2	Very low	26.3	Very low	138 Å²	138	164.5 Å²	164.5	84%	0.836	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-94.3	131.1	175.5	176	0	0	0	0	110.3
276	L	27	Very low	26	Very low	175 Å²	175	158 Å²	158	92%	0.916	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-103.9	149.7	174.1	-103.5	163.4	0	0	0	112.3
277	R	25.7	Very low	25.7	Very low	238 Å²	238	160.7 Å²	160.7	90%	0.898	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-101.9	156.9	-162.3	-70.8	-178.5	170.4	-168.9	-2.1	114.2
278	Q	25	Very low	25.3	Very low	195 Å²	195	161.6 Å²	161.6	91%	0.911	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-66.5	145.3	167.4	-65	175.8	-14.9	0	0	112.6
279	G	23.7	Very low	25.1	Very low	76 Å²	76	159.4 Å²	159.4	78%	0.784	83%	0.832	S	S	*	*			trans	-123.3	159.6	165.6	0	0	0	0	0	111
280	K	23.7	Very low	25.1	Very low	210 Å²	210	160 Å²	160	91%	0.913	84%	0.838	S	S	*	*			trans	-114.7	155.2	-165.7	-64.6	-179.1	-179.8	179.2	0	114.5
281	S	26.3	Very low	24.7	Very low	118 Å²	118	160.6 Å²	160.6	83%	0.825	83%	0.834	S	S	*	*			trans	-82.5	152.3	174.2	166.2	0	0	0	0	113.5
282	P	29.6	Very low	24.6	Very low	108 Å²	108	159.9 Å²	159.9	70%	0.701	84%	0.836	S	S	*	*			trans	-131.3	130.8	159.6	20.7	1.6	0	0	0	117.5
283	Y	21.5	Very low	24.6	Very low	231 Å²	231	157.4 Å²	157.4	91%	0.906	83%	0.825	S	S	*	*			trans	84.2	159.7	141.8	-83.8	-85.6	0	0	0	125.4
284	K	25.4	Very low	25.2	Very low	195 Å²	195	155.3 Å²	155.3	85%	0.848	82%	0.82	S	S	*	*			trans	-134.8	150.1	-163.7	-65.3	-179.9	174.5	-177.8	0	114.8
285	R	22.5	Very low	25.1	Very low	247 Å²	247	157.1 Å²	157.1	93%	0.932	82%	0.818	S	S	*	*			trans	-177.5	159.2	141.1	-112.8	176	-71.4	-168.9	0	110.6
286	G	22.3	Very low	25.6	Very low	58 Å²	58	154.6 Å²	154.6	60%	0.598	81%	0.811	S	S	*	*			cis	145.9	108.3	-20	0	0	0	0	0	115.8
287	F	22.8	Very low	26	Very low	202 Å²	202	155.4 Å²	155.4	89%	0.886	81%	0.807	S	S	*	*			trans	67.4	147.3	177.9	-68.1	-88.1	0	0	0	115.6
288	D	23	Very low	26.5	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	81%	0.805	S	S	*	*			cis	-136.2	-175.2	33.4	-153.7	-1.4	0	0	0	115.2
289	E	24	Very low	27.1	Very low	183 Å²	183	152.6 Å²	152.6	86%	0.855	80%	0.799	S	S	*	*			trans	-89.5	163.3	-168.2	-63.8	-169.1	133.5	0	0	117.7
290	G	23.7	Very low	27.6	Very low	81 Å²	81	157.1 Å²	157.1	84%	0.835	80%	0.797	S	S	*	*			trans	-174.7	111.3	168.2	0	0	0	0	0	111.2
291	D	23.1	Very low	28.4	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	78%	0.779	S	S	*	*			trans	-109.8	127.2	-157.6	179.4	31.9	0	0	0	115.7
292	V	23.9	Very low	28.8	Very low	140 Å²	140	152 Å²	152	85%	0.848	77%	0.769	S	S	*	*			trans	-149.5	122	145.8	-175.2	0	0	0	0	109.6
293	H	25.1	Very low	29.3	Very low	133 Å²	133	152.2 Å²	152.2	62%	0.616	76%	0.764	S	S	*	*			trans	-103.3	149.1	170.1	-151.9	48.7	0	0	0	109.7
294	P	36.5	Very low	30.3	Very low	107 Å²	107	146.2 Å²	146.2	70%	0.695	75%	0.746	S	S	*	*				-137.9	-178.6	54.2	42.1	-22.1	0	0	0	114.7
295	Q	27.2	Very low	30.7	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	74%	0.736	S	S	*	*			cis	-151.8	142.4	15	-156.2	170.8	70.5	0	0	111.7
296	A	36.3	Very low	31.5	Very low	84 Å²	84	137.2 Å²	137.2	69%	0.694	71%	0.714	S	S	*	*			trans	-90.7	108.4	-172.2	0	0	0	0	0	115.2
297	K	34.3	Very low	32.2	Very low	192 Å²	192	139 Å²	139	84%	0.835	71%	0.71	S	S	*	*			trans	-137.3	-13.2	163.5	-80.3	-167.5	176.3	-179.9	0	117.1
298	K	36.6	Very low	33.1	Very low	195 Å²	195	133 Å²	133	85%	0.848	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-90.1	-7.8	-166.2	-143.6	172.9	-176.4	179.4	0	117.1
299	K	38.1	Very low	33.7	Very low	180 Å²	180	131.2 Å²	131.2	78%	0.783	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-94.3	10.4	-173.4	-72.5	-169.6	175.1	-178	0	116.4
300	K	34.5	Very low	34.5	Very low	171 Å²	171	127.2 Å²	127.2	74%	0.743	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-94.9	-5.6	-177	-145.3	-176.8	-178.7	-173.9	0	114.6	I304	K300-I304 WeakPolarHBondContact O-CD1 3.41Å
301	I	40.2	Very low	35.1	Very low	105 Å²	105	126.3 Å²	126.3	54%	0.538	65%	0.646	S	S	.	*	S	Bend	trans	-92.5	-47.1	-178.4	-62.7	173.8	0	0	0	110.5	L303 I304 F305	I301-L303 VanDerWaalsContact C-N 3.26Å; I301-L303 PolarHBondContact O-N 3.03Å; I301-I304 PolarHBondContact O-N 3.41Å; I301-F305 HydrophobicContact CG2-CD2 3.88Å; I301-F305 HydrophobicContact CG2-CE2 3.89Å; I301-F305 PolarHBondContact O-N 3.44Å
302	D	34.6	Very low	35.9	Very low	114 Å²	114	122.9 Å²	122.9	61%	0.61	63%	0.633	S	S	*	*	H	α-helix	trans	-59.3	-33.1	-175.6	-49.1	-33.9	0	0	0	113.8	K306	D302-K306 PolarHBondContact O-N 3.03Å
303	L	39.3	Very low	36.7	Very low	114 Å²	114	121.4 Å²	121.4	60%	0.597	62%	0.62	S	S	*	*	H	α-helix	trans	-67.8	-39.4	176.4	-84.5	157.7	0	0	0	112.2	I301 K306 D307	I301-L303 VanDerWaalsContact C-N 3.26Å; I301-L303 PolarHBondContact O-N 3.03Å; L303-K306 PolarHBondContact O-N 2.98Å; L303-D307 PolarHBondContact O-N 3.34Å
304	I	42.4	Very low	37.2	Very low	104 Å²	104	121.9 Å²	121.9	53%	0.533	62%	0.622	S	S	.	*	H	α-helix	trans	-67.5	-40.8	-179.2	-59.6	174	0	0	0	110.4	K300 I301 K306 D307 V308	K300-I304 WeakPolarHBondContact O-CD1 3.41Å; I301-I304 PolarHBondContact O-N 3.41Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.32Å; I304-D307 PolarHBondContact O-N 3.3Å; I304-V308 HydrophobicContact CG2-CG2 4.43Å; I304-V308 WeakPolarHBondContact O-CG2 3.23Å; I304-V308 PolarHBondContact O-N 3.39Å; I304-V308 VanDerWaalsContact O-N 3.17Å
305	F	34.9	Very low	37.2	Very low	144 Å²	144	120.6 Å²	120.6	63%	0.632	62%	0.616	S	S	*	*	H	α-helix	trans	-68	-27.3	178.7	-86.6	-80.7	0	0	0	114	I301	I301-F305 HydrophobicContact CG2-CD2 3.88Å; I301-F305 HydrophobicContact CG2-CE2 3.89Å; I301-F305 PolarHBondContact O-N 3.44Å
306	K	39	Very low	37.6	Very low	110 Å²	110	116.7 Å²	116.7	48%	0.478	61%	0.612	S	S	.	*	H	α-helix	trans	-71.4	-49.1	174	-172.3	176.4	178.3	-72.7	0	111.2	D302 L303 I304 V308 L309 E310	D302-K306 PolarHBondContact O-N 3.03Å; L303-K306 PolarHBondContact O-N 2.98Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 3.32Å; K306-V308 VanDerWaalsContact C-N 3.34Å; K306-V308 PolarHBondContact O-N 2.82Å; K306-L309 PolarHBondContact O-N 2.65Å; K306-L309 VanDerWaalsContact O-N 3.13Å; K306-E310 IonicContact NZ-OE1 3.13Å; K306-E310 PolarHBondContact NZ-OE1 3.36Å; K306-E310 IonicContact NZ-OE2 2.66Å; K306-E310 PolarHBondContact NZ-OE2 3.35Å; K306-E310 PolarHBondContact O-N 3.46Å
307	D	37.8	Very low	37.6	Very low	96 Å²	96	119.7 Å²	119.7	51%	0.513	61%	0.61	S	S	.	*	H	α-helix	trans	-65.8	-36.5	-174.4	-63	-6.3	0	0	0	111.8	L303 I304 L309 E310 A311	L303-D307 PolarHBondContact O-N 3.34Å; I304-D307 PolarHBondContact O-N 3.3Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 2.74Å; D307-E310 PolarHBondContact O-N 3.01Å; D307-A311 VanDerWaalsContact O-CB 3.3Å; D307-A311 WeakPolarHBondContact O-CB 3.05Å; D307-A311 PolarHBondContact O-N 2.95Å
308	V	41.2	Very low	37.7	Very low	74 Å²	74	115.4 Å²	115.4	45%	0.448	60%	0.599	S	S	.	*	H	α-helix	trans	-65.8	-33.7	174.4	171.5	0	0	0	0	112.6	I304 K306 S312	I304-V308 HydrophobicContact CG2-CG2 4.43Å; I304-V308 WeakPolarHBondContact O-CG2 3.23Å; I304-V308 PolarHBondContact O-N 3.39Å; I304-V308 VanDerWaalsContact O-N 3.17Å; K306-V308 VanDerWaalsContact C-N 3.34Å; K306-V308 PolarHBondContact O-N 2.82Å; V308-S312 WeakPolarHBondContact O-CB 3.14Å; V308-S312 PolarHBondContact O-N 3.1Å; V308-S312 PolarHBondContact O-OG 3.39Å
309	L	36.1	Very low	37.6	Very low	116 Å²	116	115 Å²	115	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-75.5	-37.8	177.1	-96.3	163.4	0	0	0	112.6	K306 D307 L313	K306-L309 PolarHBondContact O-N 2.65Å; K306-L309 VanDerWaalsContact O-N 3.13Å; D307-L309 VanDerWaalsContact C-N 3.34Å; D307-L309 PolarHBondContact O-N 2.74Å; L309-L313 PolarHBondContact O-N 2.89Å
310	E	39.2	Very low	37.4	Very low	98 Å²	98	110.8 Å²	110.8	46%	0.458	60%	0.599	S	S	.	*	H	α-helix	trans	-68.9	-43.9	173.2	-79.9	170.7	153.3	0	0	111.4	K306 D307 S312 L313 E314	K306-E310 IonicContact NZ-OE1 3.13Å; K306-E310 PolarHBondContact NZ-OE1 3.36Å; K306-E310 IonicContact NZ-OE2 2.66Å; K306-E310 PolarHBondContact NZ-OE2 3.35Å; K306-E310 PolarHBondContact O-N 3.46Å; D307-E310 PolarHBondContact O-N 3.01Å; E310-S312 PolarHBondContact O-N 3.13Å; E310-L313 PolarHBondContact O-N 3.26Å; E310-E314 PolarHBondContact O-N 3.1Å
311	A	37.3	Very low	37.4	Very low	63 Å²	63	110.4 Å²	110.4	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-58.9	-33.9	175.5	0	0	0	0	0	113.4	D307 L313	D307-A311 VanDerWaalsContact O-CB 3.3Å; D307-A311 WeakPolarHBondContact O-CB 3.05Å; D307-A311 PolarHBondContact O-N 2.95Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 PolarHBondContact O-N 3.18Å
312	S	39.5	Very low	37	Very low	74 Å²	74	114 Å²	114	52%	0.517	61%	0.614	S	S	.	*	H	α-helix	trans	-74.1	-15.5	177	-60.8	0	0	0	0	114	V308 E310 S315	V308-S312 WeakPolarHBondContact O-CB 3.14Å; V308-S312 PolarHBondContact O-N 3.1Å; V308-S312 PolarHBondContact O-OG 3.39Å; E310-S312 PolarHBondContact O-N 3.13Å; S312-S315 PolarHBondContact O-OG 3.32Å
313	L	39.9	Very low	36.8	Very low	108 Å²	108	117.2 Å²	117.2	57%	0.565	63%	0.63	S	S	*	*	H	α-helix	trans	-102.1	-8	-178.2	-76.9	169.1	0	0	0	114.3	L309 E310 A311	L309-L313 PolarHBondContact O-N 2.89Å; E310-L313 PolarHBondContact O-N 3.26Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 PolarHBondContact O-N 3.18Å
314	E	37.1	Very low	36.3	Very low	143 Å²	143	115.7 Å²	115.7	67%	0.668	63%	0.634	S	S	*	*	H	α-helix	trans	-92.3	-36.3	173.9	-64.1	-162.2	137.6	0	0	112.6	E310 A316 K317	E310-E314 PolarHBondContact O-N 3.1Å; E314-A316 VanDerWaalsContact C-N 3.28Å; E314-A316 PolarHBondContact O-N 3.07Å; E314-K317 PolarHBondContact O-N 2.88Å; E314-K317 VanDerWaalsContact O-N 3.11Å
315	S	35.7	Very low	35.6	Very low	81 Å²	81	118.7 Å²	118.7	57%	0.566	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-58.3	-37.5	177.9	54.8	0	0	0	0	113.1	S312 K317	S312-S315 PolarHBondContact O-OG 3.32Å; S315-K317 PolarHBondContact O-N 3.12Å; S315-K317 VanDerWaalsContact O-N 3.14Å
316	A	36.2	Very low	35.2	Very low	84 Å²	84	118 Å²	118	69%	0.694	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-72.5	2.6	178.3	0	0	0	0	0	115.4	E314	E314-A316 VanDerWaalsContact C-N 3.28Å; E314-A316 PolarHBondContact O-N 3.07Å
317	K	36.8	Very low	34.7	Very low	148 Å²	148	118.7 Å²	118.7	64%	0.643	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-114.2	-11	-178.4	-72	174.3	-176.8	157.4	0	115	E314 S315	E314-K317 PolarHBondContact O-N 2.88Å; E314-K317 VanDerWaalsContact O-N 3.11Å; S315-K317 PolarHBondContact O-N 3.12Å; S315-K317 VanDerWaalsContact O-N 3.14Å
318	V	35.8	Very low	34.2	Very low	101 Å²	101	118.8 Å²	118.8	61%	0.612	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-36.8	-173.5	-179.2	0	0	0	0	112.3	A320 H321	V318-A320 PolarHBondContact O-N 3.13Å; V318-H321 PolarHBondContact O-N 3.15Å
319	E	34.2	Very low	33.5	Very low	188 Å²	188	122.9 Å²	122.9	88%	0.879	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-69.2	-18.4	-177.8	-62.3	-170.2	137.6	0	0	113.8	H321	E319-H321 VanDerWaalsContact C-N 3.3Å; E319-H321 PolarHBondContact O-N 2.76Å
320	A	34.8	Very low	33	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-78.4	-5.9	-178.9	0	0	0	0	0	114.7	V318	V318-A320 PolarHBondContact O-N 3.13Å
321	H	33	Very low	32.3	Very low	164 Å²	164	126.2 Å²	126.2	76%	0.759	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-126.6	11.7	-165.3	-122.3	-51.5	0	0	0	117.2	V318 E319	V318-H321 PolarHBondContact O-N 3.15Å; E319-H321 VanDerWaalsContact C-N 3.3Å; E319-H321 PolarHBondContact O-N 2.76Å
322	Q	31.6	Very low	31.7	Very low	181 Å²	181	134.3 Å²	134.3	85%	0.846	74%	0.744	S	S	*	*	S	Bend	trans	-107.8	11.3	179.7	-100.4	-172.2	13.4	0	0	116.6
323	L	30.8	Very low	30.9	Very low	180 Å²	180	140.6 Å²	140.6	94%	0.942	76%	0.762	S	S	*	*	S	Bend	trans	-126	40.7	176.9	-93	172	0	0	0	114.7
324	A	30	Very low	30	Very low	82 Å²	82	141.9 Å²	141.9	68%	0.678	77%	0.774	S	S	*	*			trans	-152.2	91.7	170	0	0	0	0	0	113.4
325	L	27.3	Very low	29.8	Very low	167 Å²	167	140 Å²	140	87%	0.874	77%	0.774	S	S	*	*			trans	163.1	94.8	139.6	-91.1	162.6	0	0	0	112
326	S	26.5	Very low	29.3	Very low	129 Å²	129	143.7 Å²	143.7	90%	0.902	78%	0.78	S	S	*	*			trans	-165.1	68.9	159.6	-80.8	0	0	0	0	111.2
327	T	28.2	Very low	28.6	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	78%	0.779	S	S	*	*			trans	-73.3	156.8	157.5	48.1	0	0	0	0	108.4
328	S	26.3	Very low	28	Very low	97 Å²	97	147.1 Å²	147.1	68%	0.678	78%	0.778	S	S	*	*			cis	-169.8	170.3	42.5	-41.7	0	0	0	0	113.5
329	L	27.3	Very low	27.4	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	78%	0.777	S	S	*	*			trans	83.3	100.1	149.5	-62.1	167.5	0	0	0	123.2
330	V	25	Very low	26.9	Very low	122 Å²	122	145.9 Å²	145.9	74%	0.739	77%	0.774	S	S	*	*				38.9	125.6	126.9	-136.6	0	0	0	0	122.2
331	I	24.9	Very low	26.5	Very low	162 Å²	162	145 Å²	145	83%	0.831	77%	0.767	S	S	*	*				177.8	146.8	109	-90.8	169.7	0	0	0	113.6
332	R	24.1	Very low	26.1	Very low	233 Å²	233	148 Å²	148	88%	0.879	77%	0.773	S	S	*	*			trans	-45.7	141.6	177.8	-58.5	162.9	169.3	161.8	-6.6	115.7
333	K	22.7	Very low	25.7	Very low	207 Å²	207	143.8 Å²	143.8	90%	0.9	76%	0.764	S	S	*	*				-171.8	145.6	105	-103	172	-178	178.9	0	114.7
334	V	21	Very low	25.3	Very low	134 Å²	134	146.7 Å²	146.7	81%	0.812	76%	0.762	S	S	*	*			trans	-115.8	140.4	167.3	168.5	0	0	0	0	103.6
335	P	34.2	Very low	25	Very low	103 Å²	103	149 Å²	149	67%	0.669	77%	0.772	S	S	*	*				-159.3	159.6	74.7	42.1	-20.9	0	0	0	120.7
336	K	24	Very low	24.7	Very low	159 Å²	159	146 Å²	146	69%	0.691	77%	0.772	S	S	*	*			trans	67.2	149	148.1	-72.3	171.3	174.2	-153.1	0	116.6
337	Y	23.1	Very low	24.7	Very low	170 Å²	170	145.8 Å²	145.8	67%	0.667	77%	0.765	S	S	*	*			cis	-154.3	168.2	14.1	-117.3	-22.3	0	0	0	107.9
338	Q	23.8	Very low	24.6	Very low	134 Å²	134	145.6 Å²	145.6	63%	0.626	76%	0.764	S	S	*	*			cis	-157.7	169.6	5.1	-167.2	154	-12.8	0	0	111.3
339	D	23.1	Very low	24.6	Very low	110 Å²	110	149.3 Å²	149.3	59%	0.588	77%	0.773	S	S	*	*			trans	-13.5	161.5	154.9	-35.8	-18.5	0	0	0	118.3
340	D	24.1	Very low	24.5	Very low	153 Å²	153	146.3 Å²	146.3	82%	0.818	76%	0.761	S	S	*	*			cis	-177.6	171.3	-11.3	-103.8	-15.6	0	0	0	107.2
341	A	25.2	Very low	24.6	Very low	73 Å²	73	148.8 Å²	148.8	60%	0.603	76%	0.764	S	S	*	*			cis	-164.9	153.2	-21.4	0	0	0	0	0	110.4
342	Y	24	Very low	24.6	Very low	226 Å²	226	144.2 Å²	144.2	89%	0.886	76%	0.757	S	S	*	*			trans	46.1	125.1	148.7	-89.7	-87.9	0	0	0	124.2
343	S	24	Very low	24.7	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	76%	0.758	S	S	*	*				109.9	131.8	121	-114.4	0	0	0	0	122.9
344	R	22.8	Very low	24.9	Very low	240 Å²	240	138 Å²	138	91%	0.906	75%	0.751	S	S	*	*			trans	72.4	152.3	143.5	-79.4	178.2	178.8	169.9	1.4	122
345	C	23.2	Very low	25.1	Very low	131 Å²	131	138.1 Å²	138.1	89%	0.885	75%	0.747	S	S	*	*			trans	-69.4	146.6	168.9	-42.8	0	0	0	0	112.3
346	A	22	Very low	24.8	Very low	104 Å²	104	141.5 Å²	141.5	86%	0.86	76%	0.757	S	S	*	*			trans	-160.7	163.8	146.9	0	0	0	0	0	110.3
347	T	25.9	Very low	24.8	Very low	124 Å²	124	137 Å²	137	76%	0.761	76%	0.756	S	S	*	*			trans	-115.3	167.7	-172.6	-19.8	0	0	0	0	111.9
348	T	26.2	Very low	25	Very low	122 Å²	122	140.3 Å²	140.3	75%	0.748	77%	0.767	S	S	*	*			trans	62.8	135.9	153.2	49.2	0	0	0	0	121.2
349	M	26.2	Very low	25.2	Very low	176 Å²	176	139.5 Å²	139.5	87%	0.867	77%	0.772	S	S	*	*			trans	-166.5	143.5	138.2	-95.2	-51.1	148.8	0	0	107.1
350	T	24.9	Very low	25.4	Very low	97 Å²	97	143.4 Å²	143.4	60%	0.595	79%	0.787	S	S	*	*			cis	-132.6	-176.3	1.1	57.6	0	0	0	0	108.4
351	H	27.6	Very low	25.5	Very low	174 Å²	174	139.5 Å²	139.5	81%	0.806	78%	0.782	S	S	*	*			cis	-118	-154.4	-4.3	-79.7	-77.5	0	0	0	108
352	G	25.3	Very low	25.7	Very low	66 Å²	66	145.2 Å²	145.2	68%	0.68	80%	0.797	S	S	*	*			cis	86.2	139.4	8.8	0	0	0	0	0	113.9
353	V	25.7	Very low	26	Very low	147 Å²	147	138 Å²	138	89%	0.891	79%	0.79	S	S	*	*			cis	-143.2	153.3	-3.2	177.7	0	0	0	0	109.5
354	Q	25.7	Very low	26.2	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	80%	0.798	S	S	*	*			trans	-91.5	150.7	179	-60.8	170.9	-33.6	0	0	113.4
355	N	26	Very low	26.8	Very low	137 Å²	137	139.8 Å²	139.8	73%	0.733	79%	0.794	S	S	*	*				161.1	164.7	110	-92.6	-55.3	0	0	0	116.7
356	I	27.2	Very low	26.9	Very low	173 Å²	173	143.3 Å²	143.3	89%	0.887	80%	0.795	S	S	*	*			trans	76.8	145.3	164.7	-64.4	148.5	0	0	0	117.3
357	G	24.8	Very low	27.4	Very low	64 Å²	64	144.6 Å²	144.6	66%	0.66	79%	0.792	S	S	*	*			trans	-169.6	167.8	169.6	0	0	0	0	0	112.3
358	R	28.4	Very low	28.3	Very low	240 Å²	240	143.8 Å²	143.8	91%	0.906	79%	0.788	S	S	*	*			trans	-176.2	121.4	163.4	-115.3	179.1	169.3	179.5	-4.8	113.1
359	T	27.6	Very low	28.4	Very low	117 Å²	117	147 Å²	147	72%	0.718	80%	0.795	S	S	*	*			trans	29.9	132.9	136.7	57.4	0	0	0	0	123.5
360	Q	27.8	Very low	28.5	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	79%	0.79	S	S	*	*			trans	99.9	136.3	133.9	-157.6	166.8	4.1	0	0	120.5
361	G	25.2	Very low	28.6	Very low	71 Å²	71	144 Å²	144	73%	0.732	80%	0.801	S	S	*	*			trans	172.3	148.9	174.4	0	0	0	0	0	111.7
362	E	30.3	Very low	28.6	Very low	193 Å²	193	141 Å²	141	90%	0.902	80%	0.799	S	S	*	*			trans	-127	168.7	-168.3	-59.8	172.2	101.7	0	0	113.7
363	G	30.2	Very low	28.7	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	81%	0.808	S	S	*	*				120.3	88.5	129.4	0	0	0	0	0	122.8
364	D	28.3	Very low	28.6	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	80%	0.804	S	S	*	*			trans	71.6	175.7	134.3	-145.9	7.6	0	0	0	123.3
365	R	34.6	Very low	29.3	Very low	220 Å²	220	147 Å²	147	83%	0.83	81%	0.808	S	S	*	*			trans	-128.7	168	-155.1	-60	161.7	154.1	173.5	-7.5	114.7
366	K	25.9	Very low	29.2	Very low	204 Å²	204	143.5 Å²	143.5	89%	0.887	80%	0.804	S	S	*	*				-174.9	172.4	129.2	-104.5	157.3	-173.3	166.8	0	116.8
367	V	32.1	Very low	29.2	Very low	132 Å²	132	143.7 Å²	143.7	80%	0.8	80%	0.802	S	S	*	*			trans	-130.3	169.6	-177.8	-150.9	0	0	0	0	109.2
368	P	43.6	Very low	29.3	Very low	106 Å²	106	146.8 Å²	146.8	69%	0.688	80%	0.802	S	S	*	*				-160.3	157.3	100.2	40.2	-20.3	0	0	0	120.2
369	Q	30.1	Very low	29.3	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	79%	0.793	S	S	*	*			trans	45	155.1	140.5	-63.5	172.5	-33.4	0	0	123.1
370	G	27.3	Very low	29.2	Very low	74 Å²	74	144.4 Å²	144.4	76%	0.763	80%	0.798	S	S	*	*			cis	-179.1	-164	4.4	0	0	0	0	0	109.7
371	V	27.9	Very low	29.3	Very low	135 Å²	135	143.7 Å²	143.7	82%	0.818	80%	0.795	S	S	*	*			cis	-178.1	166.3	-13.1	129.4	0	0	0	0	110.3
372	S	26.3	Very low	29.3	Very low	111 Å²	111	148.7 Å²	148.7	78%	0.776	80%	0.799	S	S	*	*			trans	89.9	149.6	164.2	83.3	0	0	0	0	120.5
373	K	26.8	Very low	29	Very low	198 Å²	198	148.4 Å²	148.4	86%	0.861	80%	0.798	S	S	*	*			cis	-162.3	175.8	-22.6	-124.8	-172	170.7	-170.6	0	113.8
374	E	24	Very low	28.9	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	80%	0.798	S	S	*	*			trans	-101.7	-153.6	-171.5	-31	153.7	105.1	0	0	114
375	P	41.5	Very low	29	Very low	128 Å²	128	150.7 Å²	150.7	83%	0.831	79%	0.794	S	S	*	*			cis	-128.3	-158.3	4.9	46.8	-28.2	0	0	0	113.9
376	G	24.2	Very low	28.5	Very low	64 Å²	64	144.1 Å²	144.1	66%	0.66	78%	0.781	S	S	*	*			cis	165.9	-175	-3.5	0	0	0	0	0	113.5
377	Q	25.3	Very low	28.3	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	78%	0.776	S	S	*	*			trans	74.4	142.4	170.4	-63.6	-164.2	-60.9	0	0	118.7
378	L	27.2	Very low	27.8	Very low	128 Å²	128	141.6 Å²	141.6	67%	0.67	77%	0.774	S	S	*	*			cis	-160.9	173.4	-10.2	-87.2	160.6	0	0	0	105.3
379	E	29.5	Very low	26.8	Very low	153 Å²	153	144.9 Å²	144.9	72%	0.715	78%	0.778	S	S	*	*			cis	142.8	173.2	-16	-78.5	155.9	-104.8	0	0	110.5
380	D	26.1	Very low	26.6	Very low	154 Å²	154	139.8 Å²	139.8	82%	0.824	77%	0.768	S	S	*	*			trans	72.9	146.5	-175	-52.4	-23.6	0	0	0	118.5
381	E	28	Very low	26.3	Very low	179 Å²	179	143.5 Å²	143.5	84%	0.836	77%	0.771	S	S	*	*			cis	-151.7	-160.9	-3.1	-133.5	178.9	-163	0	0	114
382	E	25.6	Very low	26.5	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	77%	0.769	S	S	*	*			trans	-93.6	-172.1	-156.8	-58.3	-172.5	127.3	0	0	120
383	E	24.8	Very low	26.9	Very low	188 Å²	188	142.7 Å²	142.7	88%	0.879	77%	0.768	S	S	*	*			trans	102.3	137.4	155.7	-65.3	-150.6	135.2	0	0	122.4
384	E	27.9	Very low	26.8	Very low	160 Å²	160	137.6 Å²	137.6	75%	0.748	76%	0.763	S	S	*	*			trans	-129.5	147.7	165.4	-164.4	-133.8	-104.4	0	0	108.1	S386	E384-S386 PolarHBondContact OE2-N 3.23Å
385	P	30.6	Very low	26.8	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	77%	0.765	S	S	*	*			trans	-144	116	142.5	33.3	-16.4	0	0	0	116.2
386	S	22.8	Very low	26	Very low	81 Å²	81	136.2 Å²	136.2	57%	0.566	76%	0.76	S	S	*	*			trans	-0.3	148.2	136.8	75	0	0	0	0	120.6	E384	E384-S386 PolarHBondContact OE2-N 3.23Å
387	S	23	Very low	26	Very low	111 Å²	111	138.1 Å²	138.1	78%	0.776	76%	0.764	S	S	*	*				-165.1	130.4	124.7	30.8	0	0	0	0	115.4
388	F	22.1	Very low	26	Very low	173 Å²	173	137.4 Å²	137.4	76%	0.759	76%	0.764	S	S	*	*			trans	19.5	149.5	137.6	-61.2	-86.9	0	0	0	121.6
389	K	21.7	Very low	25.8	Very low	175 Å²	175	135.6 Å²	135.6	76%	0.761	77%	0.768	S	S	*	*			cis	173.2	140.3	-21.3	-122.3	-160.3	-167.4	-179.8	0	106.9
390	A	25.1	Very low	25.6	Very low	84 Å²	84	134.4 Å²	134.4	69%	0.694	78%	0.777	S	S	*	*			trans	59.6	171.4	157.6	0	0	0	0	0	116.4
391	D	22.7	Very low	25.5	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	78%	0.777	S	S	*	*			cis	-134.5	173.4	11.1	-93	-56.4	0	0	0	112.5
392	S	31.8	Very low	26.3	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	76%	0.763	S	S	*	*			trans	-138.1	134.8	160.7	-66.5	0	0	0	0	110.9
393	P	33.5	Very low	26.5	Very low	117 Å²	117	130 Å²	130	76%	0.76	76%	0.763	S	S	*	*			trans	-108.4	143.9	137.7	-9.3	29.5	0	0	0	109.4
394	A	24.8	Very low	26.7	Very low	91 Å²	91	129 Å²	129	75%	0.752	76%	0.758	S	S	*	*			cis	65.6	130.9	46.5	0	0	0	0	0	112.4
395	E	24.7	Very low	26.6	Very low	185 Å²	185	129.7 Å²	129.7	86%	0.864	77%	0.766	S	S	*	*			cis	-164.8	179.4	-11	-147.3	-179.2	-166.5	0	0	108.6
396	A	24	Very low	26.8	Very low	88 Å²	88	129.4 Å²	129.4	73%	0.727	77%	0.765	S	S	*	*			trans	69.1	150.4	161.4	0	0	0	0	0	117.9
397	S	24.8	Very low	27.3	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	77%	0.769	S	S	*	*			cis	-165.2	161.7	-12.5	-113.4	0	0	0	0	113.2
398	L	25.3	Very low	28	Very low	162 Å²	162	131.8 Å²	131.8	85%	0.848	77%	0.771	S	S	*	*			trans	68.4	95.8	152.7	-67.6	164.9	0	0	0	121
399	A	23.7	Very low	29	Very low	90 Å²	90	126.2 Å²	126.2	74%	0.744	75%	0.754	S	S	*	*				59.6	117.7	117	0	0	0	0	0	122.3
400	S	25	Very low	29.9	Very low	128 Å²	128	127 Å²	127	90%	0.895	76%	0.758	S	S	*	*				-165.8	143.4	116.8	27.1	0	0	0	0	112.7
401	D	24.6	Very low	31.3	Very low	154 Å²	154	125.5 Å²	125.5	82%	0.824	74%	0.742	S	S	*	*			trans	-167.3	155.9	179.5	-173.3	51.2	0	0	0	107.1
402	P	44.2	Very low	32.4	Very low	85 Å²	85	122.7 Å²	122.7	55%	0.552	73%	0.731	S	S	*	*			cis	-119.2	-180	-13.9	38.7	-25.6	0	0	0	113.2
403	H	28.7	Very low	33.4	Very low	176 Å²	176	122.3 Å²	122.3	82%	0.815	72%	0.721	S	S	*	*				-175.8	163.8	120.9	-105.9	-69.3	0	0	0	114.8
404	E	30.1	Very low	34.5	Very low	168 Å²	168	118.8 Å²	118.8	79%	0.785	70%	0.699	S	S	*	*			trans	-81.9	158.9	-169.8	-54	163.2	98.3	0	0	115.4
405	L	26.1	Very low	36.6	Very low	174 Å²	174	119.3 Å²	119.3	91%	0.911	69%	0.688	S	S	*	*			trans	-133	157.7	149.5	-82.7	178.4	0	0	0	110.5
406	P	33.6	Very low	38.5	Very low	108 Å²	108	119 Å²	119	70%	0.701	68%	0.679	S	S	*	*			trans	-108.1	163.6	-131.8	39.1	-38.4	0	0	0	117.2
407	T	33.1	Very low	40	Very low	107 Å²	107	120.3 Å²	120.3	66%	0.656	67%	0.673	S	S	*	*			trans	-107.3	130.6	169.3	42.2	0	0	0	0	112.4	S409 K418	T407-S409 PolarHBondContact O-N 3Å; T407-S409 VanDerWaalsContact O-N 3.16Å; T407-K418 PolarHBondContact OG1-NZ 2.8Å
408	T	38.4	Very low	41.8	Very low	134 Å²	134	120.6 Å²	120.6	82%	0.822	66%	0.661	S	S	*	*			trans	-89.3	34.2	-158.1	46.8	0	0	0	0	116.3
409	S	44	Very low	43.9	Very low	57 Å²	57	118.7 Å²	118.7	40%	0.399	65%	0.646	S	S	.	*			trans	-106.5	95.6	-175.4	51	0	0	0	0	114.8	T407 C411	T407-S409 PolarHBondContact O-N 3Å; T407-S409 VanDerWaalsContact O-N 3.16Å; S409-C411 PolarHBondContact O-N 3.41Å; S409-C411 VanDerWaalsContact O-N 3.1Å
410	F	40.5	Very low	46.2	Very low	191 Å²	191	118.7 Å²	118.7	84%	0.838	63%	0.629	S	S	*	*			trans	-77.4	23	171.9	-70.7	-82.4	0	0	0	114.4
411	C	53.2	Low	48.8	Very low	53 Å²	53	116.4 Å²	116.4	36%	0.358	61%	0.609	S	S	.	*			trans	-73.3	128	-178.9	173.7	0	0	0	0	111.2	S409 N413 C414 I415	S409-C411 PolarHBondContact O-N 3.41Å; S409-C411 VanDerWaalsContact O-N 3.1Å; C411-N413 PolarHBondContact O-N 2.83Å; C411-N413 PolarHBondContact SG-N 3.02Å; C411-C414 HydrophobicContact CB-CB 3.97Å; C411-C414 WeakPolarHBondContact O-CB 3.34Å; C411-C414 PolarHBondContact O-N 2.67Å; C411-I415 PolarHBondContact O-N 3Å
412	P	46.9	Very low	50.9	Low	92 Å²	92	117.3 Å²	117.3	60%	0.597	60%	0.601	S	S	*	*	H	α-helix	trans	-56.5	-34.8	177.9	-27.6	35.6	0	0	0	113.9	I415 R416	P412-I415 PolarHBondContact O-N 3.37Å; P412-R416 WeakPolarHBondContact O-CG 3.38Å; P412-R416 PolarHBondContact O-N 2.6Å
413	N	51.3	Low	52.2	Low	104 Å²	104	116.2 Å²	116.2	56%	0.556	59%	0.589	S	S	*	*	H	α-helix	trans	-71.6	-36.1	176	-71.5	-21.9	0	0	0	111.9	C411 I415 R416 L417	C411-N413 PolarHBondContact O-N 2.83Å; C411-N413 PolarHBondContact SG-N 3.02Å; N413-I415 VanDerWaalsContact C-N 3.32Å; N413-I415 PolarHBondContact O-N 3.43Å; N413-R416 PolarHBondContact O-N 2.84Å; N413-L417 VanDerWaalsContact O-CB 3.27Å; N413-L417 WeakPolarHBondContact O-CB 3.49Å; N413-L417 PolarHBondContact O-N 3.4Å
414	C	57.2	Low	54	Low	44 Å²	44	112.2 Å²	112.2	30%	0.297	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-35.9	171.8	-63.6	0	0	0	0	112	C411 K418	C411-C414 HydrophobicContact CB-CB 3.97Å; C411-C414 WeakPolarHBondContact O-CB 3.34Å; C411-C414 PolarHBondContact O-N 2.67Å; C414-K418 VanDerWaalsContact O-CB 3.31Å; C414-K418 WeakPolarHBondContact O-CB 3.5Å; C414-K418 WeakPolarHBondContact O-CG 3.49Å; C414-K418 PolarHBondContact O-N 2.99Å
415	I	69	Low	56	Low	102 Å²	102	108.4 Å²	108.4	52%	0.523	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-45.6	174.8	-64.6	167.4	0	0	0	110.7	C411 P412 N413 L417 K418 K419	C411-I415 PolarHBondContact O-N 3Å; P412-I415 PolarHBondContact O-N 3.37Å; N413-I415 VanDerWaalsContact C-N 3.32Å; N413-I415 PolarHBondContact O-N 3.43Å; I415-L417 PolarHBondContact O-N 3.49Å; I415-K418 PolarHBondContact O-N 3.3Å; I415-K419 PolarHBondContact O-N 3.41Å
416	R	64.5	Low	58.1	Low	179 Å²	179	103.1 Å²	103.1	68%	0.675	54%	0.536	S	S	*	.	H	α-helix	trans	-60.8	-42.9	174.6	-71.4	171.3	72.7	-164.1	6.4	111.7	P412 N413 K419 K420	P412-R416 WeakPolarHBondContact O-CG 3.38Å; P412-R416 PolarHBondContact O-N 2.6Å; N413-R416 PolarHBondContact O-N 2.84Å; R416-K419 WeakPolarHBondContact O-CB 3.41Å; R416-K419 PolarHBondContact O-N 3.4Å; R416-K420 PolarHBondContact O-N 3.44Å
417	L	55.4	Low	59.9	Low	115 Å²	115	102.8 Å²	102.8	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-66	-47.6	177.4	-168.3	67.3	0	0	0	111.4	N413 I415 K419 K420 V421	N413-L417 VanDerWaalsContact O-CB 3.27Å; N413-L417 WeakPolarHBondContact O-CB 3.49Å; N413-L417 PolarHBondContact O-N 3.4Å; I415-L417 PolarHBondContact O-N 3.49Å; L417-K419 PolarHBondContact O-N 3.5Å; L417-K420 PolarHBondContact O-N 3.5Å; L417-K420 VanDerWaalsContact O-N 3.11Å; L417-V421 HydrophobicContact CG-CG2 4.43Å; L417-V421 WeakPolarHBondContact O-CB 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.15Å; L417-V421 PolarHBondContact O-N 3.04Å
418	K	63	Low	61.4	Low	110 Å²	110	101.6 Å²	101.6	48%	0.478	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-17.3	173.3	-75.2	-175.2	175.6	-173.6	0	113.6	T407 C414 I415 R422	T407-K418 PolarHBondContact OG1-NZ 2.8Å; C414-K418 VanDerWaalsContact O-CB 3.31Å; C414-K418 WeakPolarHBondContact O-CB 3.5Å; C414-K418 WeakPolarHBondContact O-CG 3.49Å; C414-K418 PolarHBondContact O-N 2.99Å; I415-K418 PolarHBondContact O-N 3.3Å; K418-R422 PolarHBondContact O-NE 3.47Å; K418-R422 PolarHBondContact O-NH2 3.4Å
419	K	69.5	Low	62.8	Low	122 Å²	122	98.5 Å²	98.5	53%	0.53	49%	0.493	S	S	.	.	H	α-helix	trans	-80.7	-51.7	166.8	-168.5	-178.5	-174	-91	0	110.9	I415 R416 L417 V421 R422 E423	I415-K419 PolarHBondContact O-N 3.41Å; R416-K419 WeakPolarHBondContact O-CB 3.41Å; R416-K419 PolarHBondContact O-N 3.4Å; L417-K419 PolarHBondContact O-N 3.5Å; K419-V421 VanDerWaalsContact C-N 3.32Å; K419-V421 PolarHBondContact O-N 3.39Å; K419-R422 PolarHBondContact O-N 3.39Å; K419-E423 WeakPolarHBondContact CG-OE1 3.46Å; K419-E423 IonicContact NZ-OE1 2.79Å; K419-E423 PolarHBondContact NZ-OE1 3.01Å; K419-E423 PolarHBondContact O-N 3.27Å
420	K	72.9	Confident	63.8	Low	90 Å²	90	102 Å²	102	39%	0.391	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-36	-178.7	-165.4	66.3	-122.8	166.8	0	112.6	R416 L417 E423 L424	R416-K420 PolarHBondContact O-N 3.44Å; L417-K420 PolarHBondContact O-N 3.5Å; L417-K420 VanDerWaalsContact O-N 3.11Å; K420-E423 WeakPolarHBondContact CD-OE2 3.43Å; K420-E423 WeakPolarHBondContact CE-OE2 3.32Å; K420-E423 IonicContact NZ-OE2 3.48Å; K420-E423 PolarHBondContact NZ-OE2 3.07Å; K420-E423 PolarHBondContact O-N 2.98Å; K420-L424 HydrophobicContact CG-CD1 4.1Å; K420-L424 WeakPolarHBondContact O-CB 3.4Å; K420-L424 VanDerWaalsContact O-CG 3.27Å; K420-L424 WeakPolarHBondContact O-CG 3.26Å; K420-L424 PolarHBondContact O-N 3.2Å
421	V	78.4	Confident	64.7	Low	80 Å²	80	99.3 Å²	99.3	49%	0.485	50%	0.498	S	S	.	.	H	α-helix	trans	-61.9	-40.1	172.4	169.4	0	0	0	0	111.7	L417 K419 Q425	L417-V421 HydrophobicContact CG-CG2 4.43Å; L417-V421 WeakPolarHBondContact O-CB 3.31Å; L417-V421 WeakPolarHBondContact O-CG2 3.15Å; L417-V421 PolarHBondContact O-N 3.04Å; K419-V421 VanDerWaalsContact C-N 3.32Å; K419-V421 PolarHBondContact O-N 3.39Å; V421-Q425 VanDerWaalsContact O-CB 3.23Å; V421-Q425 WeakPolarHBondContact O-CB 3.4Å; V421-Q425 PolarHBondContact O-N 3.02Å
422	R	69.6	Low	65.1	Low	172 Å²	172	103.2 Å²	103.2	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-73.4	-33.1	176	-78.4	-179.4	-67.3	141.3	-3.7	113.3	K418 K419 A426	K418-R422 PolarHBondContact O-NE 3.47Å; K418-R422 PolarHBondContact O-NH2 3.4Å; K419-R422 PolarHBondContact O-N 3.39Å; R422-A426 WeakPolarHBondContact O-CB 3.4Å; R422-A426 PolarHBondContact O-N 3.09Å
423	E	70.6	Confident	65.7	Low	62 Å²	62	102.2 Å²	102.2	29%	0.29	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-50.8	170.3	-69.3	168.5	-168.9	0	0	110.7	K419 K420 Q425 A426 E427	K419-E423 WeakPolarHBondContact CG-OE1 3.46Å; K419-E423 IonicContact NZ-OE1 2.79Å; K419-E423 PolarHBondContact NZ-OE1 3.01Å; K419-E423 PolarHBondContact O-N 3.27Å; K420-E423 WeakPolarHBondContact CD-OE2 3.43Å; K420-E423 WeakPolarHBondContact CE-OE2 3.32Å; K420-E423 IonicContact NZ-OE2 3.48Å; K420-E423 PolarHBondContact NZ-OE2 3.07Å; K420-E423 PolarHBondContact O-N 2.98Å; E423-Q425 VanDerWaalsContact C-N 3.34Å; E423-Q425 PolarHBondContact O-N 2.87Å; E423-A426 PolarHBondContact O-N 3.37Å; E423-E427 WeakPolarHBondContact O-CG 3.31Å; E423-E427 PolarHBondContact O-N 2.9Å
424	L	67.4	Low	65.6	Low	93 Å²	93	100.4 Å²	100.4	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-64.2	-36.2	178.2	-71.1	165.6	0	0	0	112.6	K420 E427 L428	K420-L424 HydrophobicContact CG-CD1 4.1Å; K420-L424 WeakPolarHBondContact O-CB 3.4Å; K420-L424 VanDerWaalsContact O-CG 3.27Å; K420-L424 WeakPolarHBondContact O-CG 3.26Å; K420-L424 PolarHBondContact O-N 3.2Å; L424-E427 PolarHBondContact O-N 3.02Å; L424-L428 WeakPolarHBondContact O-CB 3.21Å; L424-L428 PolarHBondContact O-N 3.46Å
425	Q	70.9	Confident	64.8	Low	88 Å²	88	106.8 Å²	106.8	41%	0.411	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-42.4	174.6	-172.7	65.1	46.4	0	0	111.1	V421 E423 L428 D429	V421-Q425 VanDerWaalsContact O-CB 3.23Å; V421-Q425 WeakPolarHBondContact O-CB 3.4Å; V421-Q425 PolarHBondContact O-N 3.02Å; E423-Q425 VanDerWaalsContact C-N 3.34Å; E423-Q425 PolarHBondContact O-N 2.87Å; Q425-L428 PolarHBondContact O-N 3.12Å; Q425-D429 VanDerWaalsContact NE2-CG 3.28Å; Q425-D429 PolarHBondContact NE2-OD1 2.89Å; Q425-D429 VanDerWaalsContact NE2-OD1 3.11Å; Q425-D429 PolarHBondContact NE2-OD2 3.04Å; Q425-D429 WeakPolarHBondContact O-CB 3.15Å; Q425-D429 VanDerWaalsContact O-CG 3.26Å; Q425-D429 PolarHBondContact O-N 3.35Å
426	A	70.1	Confident	63.4	Low	62 Å²	62	109.5 Å²	109.5	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-65.6	-40.7	175.5	0	0	0	0	0	112.2	R422 E423 M430	R422-A426 WeakPolarHBondContact O-CB 3.4Å; R422-A426 PolarHBondContact O-N 3.09Å; E423-A426 PolarHBondContact O-N 3.37Å; A426-M430 VanDerWaalsContact O-CB 3.29Å; A426-M430 WeakPolarHBondContact O-CB 3.36Å; A426-M430 PolarHBondContact O-N 3.38Å
427	E	72.5	Confident	62	Low	101 Å²	101	106.6 Å²	106.6	47%	0.472	55%	0.552	S	S	.	*	H	α-helix	trans	-61.3	-46.1	172.1	-72.9	171	151.2	0	0	111.1	E423 L424 M430 L431	E423-E427 WeakPolarHBondContact O-CG 3.31Å; E423-E427 PolarHBondContact O-N 2.9Å; L424-E427 PolarHBondContact O-N 3.02Å; E427-M430 PolarHBondContact O-N 3.44Å; E427-L431 WeakPolarHBondContact O-CB 3.37Å; E427-L431 VanDerWaalsContact O-CG 3.26Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.22Å
428	L	64.4	Low	61	Low	82 Å²	82	109.8 Å²	109.8	43%	0.429	56%	0.564	S	S	.	*	H	α-helix	trans	-63.2	-42.2	178.9	-178.9	65.6	0	0	0	112.4	L424 Q425 L431 K432	L424-L428 WeakPolarHBondContact O-CB 3.21Å; L424-L428 PolarHBondContact O-N 3.46Å; Q425-L428 PolarHBondContact O-N 3.12Å; L428-L431 PolarHBondContact O-N 2.91Å; L428-K432 VanDerWaalsContact O-CG 3.31Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 2.8Å
429	D	67.1	Low	59.8	Low	70 Å²	70	110 Å²	110	37%	0.374	58%	0.577	S	S	.	*	H	α-helix	trans	-76.9	-28.7	179.9	-64.6	-26.7	0	0	0	112	Q425 K432 S433	Q425-D429 VanDerWaalsContact NE2-CG 3.28Å; Q425-D429 PolarHBondContact NE2-OD1 2.89Å; Q425-D429 VanDerWaalsContact NE2-OD1 3.11Å; Q425-D429 PolarHBondContact NE2-OD2 3.04Å; Q425-D429 WeakPolarHBondContact O-CB 3.15Å; Q425-D429 VanDerWaalsContact O-CG 3.26Å; Q425-D429 PolarHBondContact O-N 3.35Å; D429-K432 WeakPolarHBondContact OD1-CD 3.37Å; D429-K432 IonicContact OD1-NZ 2.69Å; D429-K432 PolarHBondContact OD1-NZ 3.32Å; D429-S433 PolarHBondContact O-N 2.7Å; D429-S433 VanDerWaalsContact O-N 3.12Å
430	M	64.9	Low	58.3	Low	129 Å²	129	110.6 Å²	110.6	64%	0.635	59%	0.593	S	S	*	*	H	α-helix	trans	-67.2	-40.9	167.9	-160.8	-176.6	81	0	0	111.5	A426 E427 S433	A426-M430 VanDerWaalsContact O-CB 3.29Å; A426-M430 WeakPolarHBondContact O-CB 3.36Å; A426-M430 PolarHBondContact O-N 3.38Å; E427-M430 PolarHBondContact O-N 3.44Å; M430-S433 WeakPolarHBondContact O-CB 3.41Å; M430-S433 PolarHBondContact O-N 3.24Å; M430-S433 VanDerWaalsContact O-N 3.14Å; M430-S433 PolarHBondContact O-OG 3.42Å
431	L	60.6	Low	56.2	Low	135 Å²	135	110.9 Å²	110.9	71%	0.707	61%	0.612	S	S	*	*	H	α-helix	trans	-63.8	-41.9	173.9	-73.3	166.1	0	0	0	112.1	E427 L428 S433 G434	E427-L431 WeakPolarHBondContact O-CB 3.37Å; E427-L431 VanDerWaalsContact O-CG 3.26Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.22Å; L428-L431 PolarHBondContact O-N 2.91Å; L431-S433 PolarHBondContact O-N 2.83Å; L431-G434 PolarHBondContact O-N 2.89Å
432	K	60.4	Low	54	Low	135 Å²	135	115 Å²	115	59%	0.587	63%	0.63	S	S	*	*	H	α-helix	trans	-61.6	-25.3	172.1	-71.9	170	-166.7	155.1	0	113.4	L428 D429 G434	L428-K432 VanDerWaalsContact O-CG 3.31Å; L428-K432 WeakPolarHBondContact O-CG 3.46Å; L428-K432 PolarHBondContact O-N 2.8Å; D429-K432 WeakPolarHBondContact OD1-CD 3.37Å; D429-K432 IonicContact OD1-NZ 2.69Å; D429-K432 PolarHBondContact OD1-NZ 3.32Å; K432-G434 PolarHBondContact O-N 3.48Å
433	S	60.3	Low	53.1	Low	72 Å²	72	112.3 Å²	112.3	50%	0.503	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.7	-6.5	-179.3	82	0	0	0	0	114.5	D429 M430 L431 K435	D429-S433 PolarHBondContact O-N 2.7Å; D429-S433 VanDerWaalsContact O-N 3.12Å; M430-S433 WeakPolarHBondContact O-CB 3.41Å; M430-S433 PolarHBondContact O-N 3.24Å; M430-S433 VanDerWaalsContact O-N 3.14Å; M430-S433 PolarHBondContact O-OG 3.42Å; L431-S433 PolarHBondContact O-N 2.83Å; S433-K435 VanDerWaalsContact C-N 3.29Å; S433-K435 PolarHBondContact O-N 3.27Å
434	G	49.3	Very low	51.6	Low	65 Å²	65	113.9 Å²	113.9	67%	0.67	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.6	11.9	167.9	0	0	0	0	0	116.2	L431 K432	L431-G434 PolarHBondContact O-N 2.89Å; K432-G434 PolarHBondContact O-N 3.48Å
435	K	40.7	Very low	49.7	Very low	178 Å²	178	118.1 Å²	118.1	77%	0.774	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-95.3	122.8	176.9	-69	-172.8	175.6	-175.5	0	111.5	S433	S433-K435 VanDerWaalsContact C-N 3.29Å; S433-K435 PolarHBondContact O-N 3.27Å
436	L	38.3	Very low	47.6	Very low	160 Å²	160	119.3 Å²	119.3	84%	0.838	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-69.4	152.3	166.8	-82.2	95.4	0	0	0	111
437	P	36	Very low	45.5	Very low	118 Å²	118	123.3 Å²	123.3	77%	0.766	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-73.7	134.5	170.4	-9.8	26.6	0	0	0	111.5
438	E	33.6	Very low	43.3	Very low	181 Å²	181	127.7 Å²	127.7	85%	0.846	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-77.5	149.5	162.7	-77.8	-173	117.9	0	0	111.2
439	P	38.1	Very low	41.4	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-76.1	134.1	176.6	31.1	-33.8	0	0	0	111.4	A441	P439-A441 PolarHBondContact O-N 3.39Å
440	P	38.5	Very low	39.9	Very low	133 Å²	133	132 Å²	132	86%	0.864	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-75.6	127.2	-179.7	29.4	-34	0	0	0	112.2
441	A	28.2	Very low	37.9	Very low	96 Å²	96	132.5 Å²	132.5	79%	0.793	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-93.2	149.2	168.9	0	0	0	0	0	112	P439	P439-A441 PolarHBondContact O-N 3.39Å
442	L	32.8	Very low	36.3	Very low	166 Å²	166	134.3 Å²	134.3	87%	0.869	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-92.2	172	166.3	-65.6	171.1	0	0	0	109.4
443	P	51.2	Low	34.5	Very low	116 Å²	116	133.3 Å²	133.3	75%	0.753	76%	0.756	S	S	*	*			cis	-119.1	-127.6	6.5	28.9	-2.9	0	0	0	108.8
444	P	37.8	Very low	32.7	Very low	95 Å²	95	137.1 Å²	137.1	62%	0.617	77%	0.77	S	S	*	*			cis	-138.3	162.5	-21.1	38.2	-19.5	0	0	0	117.7
445	Q	28.3	Very low	32.6	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	77%	0.772	S	S	*	*			trans	67.5	150.6	147.6	-73.2	172.1	23.7	0	0	118.5
446	V	26	Very low	31.8	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.685	77%	0.772	S	S	*	*			cis	-155.7	146.7	-1.5	98.4	0	0	0	0	111.5
447	L	27.1	Very low	31.2	Very low	146 Å²	146	132.7 Å²	132.7	76%	0.764	78%	0.775	S	S	*	*			trans	39.3	153.2	152.1	-64.9	166.4	0	0	0	121.3
448	E	25.3	Very low	30.9	Very low	193 Å²	193	132.1 Å²	132.1	90%	0.902	77%	0.773	S	S	*	*			cis	-130.1	167.1	32.7	-66.8	-177.3	132.5	0	0	116.5
449	L	25.1	Very low	30.6	Very low	133 Å²	133	132.2 Å²	132.2	70%	0.696	77%	0.774	S	S	*	*			trans	-118.9	159.2	175.6	-106	168.7	0	0	0	108.2
450	P	34.7	Very low	29.9	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	78%	0.779	S	S	*	*				-134.5	145.2	74.5	9.3	16.3	0	0	0	114.6
451	E	24.4	Very low	29.6	Very low	138 Å²	138	134.9 Å²	134.9	65%	0.645	78%	0.78	S	S	*	*				65	138.9	84.2	-61.3	-177.9	171.7	0	0	114.6
452	F	25.6	Very low	29.4	Very low	173 Å²	173	136.5 Å²	136.5	76%	0.759	78%	0.781	S	S	*	*			cis	-152.1	-179.7	-8.2	-104.9	-49.9	0	0	0	107
453	S	22.6	Very low	29	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	78%	0.779	S	S	*	*			cis	-157	173.3	30.5	-40.5	0	0	0	0	112.5
454	D	23.2	Very low	28	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	78%	0.777	S	S	*	*			trans	-98.4	-172	172.7	-115.6	-40.7	0	0	0	111.7
455	P	47.4	Very low	27.9	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	79%	0.791	S	S	*	*			cis	-137.8	-171.5	-21.7	31	-8.2	0	0	0	114.6
456	A	24.5	Very low	27.7	Very low	94 Å²	94	129.8 Å²	129.8	78%	0.777	79%	0.785	S	S	*	*				129.5	155.5	119.9	0	0	0	0	0	120.3
457	A	25.5	Very low	27.7	Very low	108 Å²	108	132 Å²	132	89%	0.893	79%	0.792	S	S	*	*			trans	85.1	148.4	161.3	0	0	0	0	0	120.1
458	S	28.3	Very low	27.7	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	79%	0.791	S	S	*	*			trans	-146.2	159.9	-165	55.9	0	0	0	0	112.1
459	E	29.2	Very low	28	Very low	184 Å²	184	130.8 Å²	130.8	86%	0.86	78%	0.784	S	S	*	*			trans	54.4	122	161.8	-63.8	-174.6	167.7	0	0	120.2
460	S	23.3	Very low	28.1	Very low	124 Å²	124	132.3 Å²	132.3	87%	0.867	79%	0.793	S	S	*	*				178.4	155.6	120.5	37	0	0	0	0	112.4
461	M	30.5	Very low	27.8	Very low	180 Å²	180	134 Å²	134	89%	0.887	80%	0.796	S	S	*	*			trans	-101.3	157.9	161.3	-73.9	-177.4	162	0	0	109.7
462	V	24.7	Very low	28	Very low	131 Å²	131	133.3 Å²	133.3	79%	0.794	80%	0.797	S	S	*	*				159.7	130.1	126.3	157.9	0	0	0	0	111.9
463	S	25.2	Very low	28.1	Very low	119 Å²	119	132.3 Å²	132.3	83%	0.832	79%	0.794	S	S	*	*			trans	49.4	147.8	156.5	-61.2	0	0	0	0	123.2
464	G	30.1	Very low	28.4	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	80%	0.795	S	S	*	*			trans	-125.5	-178.6	152.1	0	0	0	0	0	110.7
465	P	34.2	Very low	28.8	Very low	138 Å²	138	133.5 Å²	133.5	90%	0.896	79%	0.79	S	S	*	*			trans	-116.3	172.2	168.1	37.4	-25.9	0	0	0	113.4
466	A	26	Very low	27.9	Very low	90 Å²	90	135.1 Å²	135.1	74%	0.744	79%	0.793	S	S	*	*			trans	-109.4	174.1	-173.5	0	0	0	0	0	114
467	I	25.8	Very low	28	Very low	161 Å²	161	136.1 Å²	136.1	83%	0.826	80%	0.795	S	S	*	*			trans	-178.9	109.1	156.1	-93.1	146.6	0	0	0	104.3
468	M	26.9	Very low	28.2	Very low	150 Å²	150	135.2 Å²	135.2	74%	0.739	79%	0.787	S	S	*	*				89.2	108.4	66.4	-78.2	-169.4	75	0	0	114.5
469	E	30.7	Very low	28.2	Very low	163 Å²	163	137.3 Å²	137.3	76%	0.762	79%	0.79	S	S	*	*			trans	28.1	124.9	139.1	-65.2	161.1	151.3	0	0	122.1
470	D	27.2	Very low	28.2	Very low	164 Å²	164	136.8 Å²	136.8	88%	0.877	79%	0.788	S	S	*	*			trans	164.6	139.4	138.2	-93.9	-5.1	0	0	0	106.8
471	D	28.4	Very low	28.5	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	78%	0.784	S	S	*	*			cis	145.1	123.3	-26.5	-163.8	38	0	0	0	109.7
472	D	29.5	Very low	28.3	Very low	123 Å²	123	134.1 Å²	134.1	66%	0.658	78%	0.781	S	S	*	*			trans	62.4	162.5	155.7	-133.5	19.7	0	0	0	126.8
473	Q	27.4	Very low	28.5	Very low	152 Å²	152	133.4 Å²	133.4	71%	0.71	78%	0.781	S	S	*	*			trans	72.1	122.9	163	-74.2	147.3	61	0	0	120
474	E	28.3	Very low	28.8	Very low	173 Å²	173	135 Å²	135	81%	0.808	78%	0.78	S	S	*	*				57.2	138	59.4	-70.4	-157.5	179.5	0	0	114.1
475	V	32.4	Very low	28.7	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.715	78%	0.783	S	S	*	*			cis	-150.9	158.2	-1.3	-110.2	0	0	0	0	111.5
476	D	27.3	Very low	28.5	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	77%	0.771	S	S	*	*			trans	23.4	139.7	137	-159.2	20.8	0	0	0	122.9
477	S	27.5	Very low	28.8	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	77%	0.773	S	S	*	*			trans	-173.1	128	140.8	-81.1	0	0	0	0	112.4
478	A	29.2	Very low	28.8	Very low	89 Å²	89	139.9 Å²	139.9	74%	0.736	77%	0.771	S	S	*	*			trans	-82.1	179.7	163	0	0	0	0	0	110.4
479	D	28.1	Very low	28.9	Very low	148 Å²	148	136.5 Å²	136.5	79%	0.791	77%	0.766	S	S	*	*			cis	-159.1	-168.6	-7.6	-155.2	-17.4	0	0	0	107.9
480	E	30.7	Very low	28.9	Very low	174 Å²	174	134.5 Å²	134.5	81%	0.813	77%	0.766	S	S	*	*			trans	71.4	147	165.2	-57.8	-156.6	167.5	0	0	116.2
481	S	28.6	Very low	28.8	Very low	114 Å²	114	134.2 Å²	134.2	80%	0.797	76%	0.764	S	S	*	*			cis	-148.2	170.7	31.4	55.9	0	0	0	0	115
482	V	27.1	Very low	28.8	Very low	134 Å²	134	135.4 Å²	135.4	81%	0.812	77%	0.765	S	S	*	*			trans	-106.4	144.3	-168.7	-174.2	0	0	0	0	112.3
483	S	27.4	Very low	29.6	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	77%	0.766	S	S	*	*			trans	168.4	157.5	131.7	-76.7	0	0	0	0	114.7
484	N	32.6	Very low	29.5	Very low	153 Å²	153	132 Å²	132	82%	0.818	77%	0.765	S	S	*	*			trans	-95.8	166.2	179.4	-62.8	-53.7	0	0	0	112.6
485	D	27.4	Very low	29.5	Very low	144 Å²	144	132.5 Å²	132.5	77%	0.77	77%	0.765	S	S	*	*				177.7	156.5	129.1	-95.7	-5.6	0	0	0	110.8
486	M	30.8	Very low	29.2	Very low	131 Å²	131	134.6 Å²	134.6	65%	0.645	77%	0.768	S	S	*	*			cis	-169.1	152.5	-15.2	166.4	162.4	47.5	0	0	111
487	M	30.6	Very low	29.2	Very low	159 Å²	159	133.7 Å²	133.7	78%	0.783	77%	0.774	S	S	*	*			trans	66.8	162.3	160.2	-82.3	173.1	-167.8	0	0	119.7
488	T	26.4	Very low	29.2	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	77%	0.771	S	S	*	*			cis	-144.4	165.9	8.2	-15.8	0	0	0	0	114.6
489	A	28.9	Very low	29.4	Very low	79 Å²	79	134 Å²	134	65%	0.653	78%	0.776	S	S	*	*			trans	-50	172.5	162.6	0	0	0	0	0	116.3
490	T	30.7	Very low	29.6	Very low	122 Å²	122	133.2 Å²	133.2	75%	0.748	78%	0.777	S	S	*	*			cis	-163.2	173.9	-2.9	8	0	0	0	0	111.4
491	D	26.3	Very low	30	Very low	157 Å²	157	128.6 Å²	128.6	84%	0.84	78%	0.777	S	S	*	*			trans	78.8	141.6	154.4	-66.4	-27.5	0	0	0	123
492	E	27.4	Very low	30.6	Very low	172 Å²	172	134.7 Å²	134.7	80%	0.804	78%	0.782	S	S	*	*			trans	-89.8	176.2	171.4	-85.7	-85	157.2	0	0	110.5
493	P	45.8	Very low	31.4	Very low	105 Å²	105	139.6 Å²	139.6	68%	0.682	79%	0.786	S	S	*	*			cis	-134.4	178.8	1.7	31.8	-10.2	0	0	0	116.9
494	S	25.4	Very low	32.5	Very low	99 Å²	99	141.1 Å²	141.1	69%	0.692	78%	0.783	S	S	*	*			trans	103.3	136.7	134.9	84.8	0	0	0	0	122.3
495	K	27.9	Very low	33.8	Very low	184 Å²	184	141.2 Å²	141.2	80%	0.8	77%	0.772	S	S	*	*			trans	58.1	104.9	146.9	-73.3	-176.4	176.4	176.7	0	122.4
496	M	26.5	Very low	35.8	Very low	161 Å²	161	144.9 Å²	144.9	79%	0.793	78%	0.776	S	S	*	*				78.4	117.6	121.2	-65.3	-179.8	71.4	0	0	121.2
497	S	27.3	Very low	38.1	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	75%	0.749	S	S	*	*			trans	70.9	156.7	157.4	83.9	0	0	0	0	116.4
498	S	27.9	Very low	40.5	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	73%	0.733	S	S	*	*			cis	-134.7	169.2	1.4	63.8	0	0	0	0	111.4
499	A	32.6	Very low	42.9	Very low	103 Å²	103	136.6 Å²	136.6	85%	0.851	72%	0.722	S	S	*	*			trans	-81.8	125.2	-173.2	0	0	0	0	0	113
500	T	33	Very low	45.3	Very low	132 Å²	132	137.9 Å²	137.9	81%	0.81	72%	0.715	S	S	*	*			trans	-102.8	133.2	157	48.1	0	0	0	0	109.9	R502	T500-R502 PolarHBondContact O-N 3.42Å
501	G	39.6	Very low	47.8	Very low	78 Å²	78	133.1 Å²	133.1	80%	0.804	68%	0.683	S	S	*	*			trans	-69.8	111.1	-162.9	0	0	0	0	0	114.7	R503	G501-R503 PolarHBondContact O-N 2.95Å
502	R	40.3	Very low	50.1	Low	242 Å²	242	127.9 Å²	127.9	91%	0.913	66%	0.655	S	S	*	*			trans	-67.6	113.3	166.2	-71	-176.5	176.5	-179.2	-0.5	109.5	T500 I504	T500-R502 PolarHBondContact O-N 3.42Å; R502-I504 PolarHBondContact O-N 2.94Å; R502-I504 VanDerWaalsContact O-N 3.12Å
503	R	44.9	Very low	52.2	Low	237 Å²	237	129.2 Å²	129.2	89%	0.894	66%	0.658	S	S	*	*			trans	-48.7	117.7	176.2	-68.4	-179	-179.4	171.9	0.6	110.8	G501 R505	G501-R503 PolarHBondContact O-N 2.95Å; R503-R505 PolarHBondContact O-N 3.13Å
504	I	50.4	Low	53.6	Low	146 Å²	146	131.6 Å²	131.6	75%	0.749	66%	0.658	S	S	*	*			trans	-62.3	111.4	171.5	-59.2	175.1	0	0	0	107.6	R502 R506	R502-I504 PolarHBondContact O-N 2.94Å; R502-I504 VanDerWaalsContact O-N 3.12Å; I504-R506 PolarHBondContact O-N 3.4Å
505	R	60.3	Low	56.3	Low	156 Å²	156	127.8 Å²	127.8	59%	0.589	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-68.8	120.7	174.1	-62.8	-177.3	-179	-146.9	-3.5	107.3	R503 F552	R503-R505 PolarHBondContact O-N 3.13Å; R505-F552 WeakPolarHBondContact O-CD2 3.35Å
506	R	68.2	Low	58.8	Low	221 Å²	221	124.7 Å²	124.7	83%	0.834	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-81.3	145.2	172.5	-66.3	-177.9	177	178.2	-1.9	109.3	I504	I504-R506 PolarHBondContact O-N 3.4Å
507	F	79.9	Confident	61.3	Low	22 Å²	22	117.6 Å²	117.6	10%	0.096	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-60.9	144.8	169.6	-179.3	-100.3	0	0	0	110.4	W511 L512 L518 Y520 M527 F552	F507-W511 HydrophobicContact CD2-CE3 4.27Å; F507-W511 HydrophobicContact CE2-CE3 4.02Å; F507-W511 HydrophobicContact CZ-CB 4.42Å; F507-L512 HydrophobicContact CE1-CD1 4.05Å; F507-L512 HydrophobicContact CE1-CD2 4.13Å; F507-L512 HydrophobicContact CE1-CG 3.82Å; F507-L512 HydrophobicContact CZ-CD1 4.49Å; F507-L512 HydrophobicContact CZ-CD2 3.74Å; F507-L512 HydrophobicContact CZ-CG 3.83Å; F507-L518 HydrophobicContact CE2-CD2 4.03Å; F507-L518 HydrophobicContact CZ-CD2 4.11Å; F507-Y520 HydrophobicContact CB-CD1 4.36Å; F507-Y520 HydrophobicContact CB-CD2 3.84Å; F507-Y520 HydrophobicContact CB-CE1 4.04Å; F507-Y520 HydrophobicContact CB-CE2 3.47Å; F507-Y520 VanDerWaalsContact CB-CE2 3.47Å; F507-Y520 HydrophobicContact CB-CG 4.27Å; F507-Y520 AromaticContact CD1-CD1 3.43Å; F507-Y520 HydrophobicContact CD1-CD1 3.43Å; F507-Y520 VanDerWaalsContact CD1-CD1 3.43Å; F507-Y520 AromaticContact CD1-CD2 3.86Å; F507-Y520 HydrophobicContact CD1-CD2 3.86Å; F507-Y520 AromaticContact CD1-CE1 3.84Å; F507-Y520 HydrophobicContact CD1-CE1 3.84Å; F507-Y520 HydrophobicContact CD1-CE2 4.24Å; F507-Y520 AromaticContact CD1-CG 3.44Å; F507-Y520 HydrophobicContact CD1-CG 3.44Å; F507-Y520 VanDerWaalsContact CD1-CG 3.44Å; F507-Y520 AromaticContact CD2-CD2 3.87Å; F507-Y520 HydrophobicContact CD2-CD2 3.87Å; F507-Y520 HydrophobicContact CD2-CE2 4.35Å; F507-Y520 HydrophobicContact CD2-CG 4.15Å; F507-Y520 AromaticContact CE1-CD1 3.91Å; F507-Y520 HydrophobicContact CE1-CD1 3.91Å; F507-Y520 HydrophobicContact CE1-CD2 4.4Å; F507-Y520 AromaticContact CE1-CG 3.72Å; F507-Y520 HydrophobicContact CE1-CG 3.72Å; F507-Y520 HydrophobicContact CE2-CD2 4.41Å; F507-Y520 HydrophobicContact CE2-CG 4.39Å; F507-Y520 AromaticContact CG-CD1 3.98Å; F507-Y520 HydrophobicContact CG-CD1 3.98Å; F507-Y520 AromaticContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CE1 4.17Å; F507-Y520 AromaticContact CG-CE2 3.77Å; F507-Y520 HydrophobicContact CG-CE2 3.77Å; F507-Y520 AromaticContact CG-CG 3.68Å; F507-Y520 HydrophobicContact CG-CG 3.68Å; F507-Y520 HydrophobicContact CZ-CG 4.2Å; F507-M527 HydrophobicContact CD2-CB 4.41Å; F507-M527 HydrophobicContact CD2-SD 4.3Å; F507-M527 HydrophobicContact CE2-CB 4.11Å; F507-M527 HydrophobicContact CE2-SD 4.01Å; F507-F552 HydrophobicContact CB-CD1 4.13Å; F507-F552 HydrophobicContact CB-CD2 4.28Å; F507-F552 HydrophobicContact CB-CE1 4.11Å; F507-F552 HydrophobicContact CB-CE2 4.27Å; F507-F552 HydrophobicContact CB-CG 4.21Å; F507-F552 HydrophobicContact CB-CZ 4.18Å; F507-F552 AromaticContact CD2-CD1 3.61Å; F507-F552 HydrophobicContact CD2-CD1 3.61Å; F507-F552 AromaticContact CD2-CE1 3.87Å; F507-F552 HydrophobicContact CD2-CE1 3.87Å; F507-F552 HydrophobicContact CD2-CG 4.3Å; F507-F552 HydrophobicContact CG-CD1 4.35Å; F507-F552 HydrophobicContact CG-CE1 4.4Å
508	K	81.2	Confident	64.1	Low	99 Å²	99	111.7 Å²	111.7	43%	0.43	54%	0.535	S	S	.	.			trans	-107.4	109.7	-176.8	-92.6	-136.8	-178.8	-168.7	0	110	E510 W511	K508-E510 HydrophobicContact CB-CG 3.9Å; K508-E510 HydrophobicContact CD-CG 3.69Å; K508-E510 WeakPolarHBondContact CD-OE1 3.44Å; K508-E510 WeakPolarHBondContact CE-OE1 3.23Å; K508-E510 HydrophobicContact CG-CG 4.46Å; K508-E510 IonicContact NZ-OE1 2.9Å; K508-E510 PolarHBondContact NZ-OE1 3.38Å; K508-E510 IonicContact NZ-OE2 2.59Å; K508-E510 PolarHBondContact NZ-OE2 3.41Å; K508-E510 PolarHBondContact O-N 3.09Å; K508-E510 VanDerWaalsContact O-N 3.15Å; K508-W511 HydrophobicContact CB-CD2 3.72Å; K508-W511 HydrophobicContact CB-CE3 4.19Å; K508-W511 HydrophobicContact CB-CG 4.07Å; K508-W511 HydrophobicContact CB-CH2 4.36Å; K508-W511 HydrophobicContact CB-CZ2 3.9Å; K508-W511 HydrophobicContact CD-CZ2 4.23Å; K508-W511 HydrophobicContact CG-CZ2 4.09Å; K508-W511 WeakPolarHBondContact O-CB 3.48Å; K508-W511 PolarHBondContact O-N 2.95Å
509	Q	76.6	Confident	66.8	Low	121 Å²	121	111.9 Å²	111.9	57%	0.565	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.7	-175.2	-151.6	71.3	-10.3	0	0	113.8	W511 L512	Q509-W511 PolarHBondContact O-N 2.89Å; Q509-W511 VanDerWaalsContact O-N 3.14Å; Q509-L512 HydrophobicContact CG-CD1 4.38Å; Q509-L512 PolarHBondContact O-N 2.66Å; Q509-L512 VanDerWaalsContact O-N 3.13Å
510	E	78.3	Confident	69.3	Low	106 Å²	106	109.3 Å²	109.3	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-53	-28	170.3	53.5	171.9	-130.7	0	0	113.5	K508 L512 K513 K514	K508-E510 HydrophobicContact CB-CG 3.9Å; K508-E510 HydrophobicContact CD-CG 3.69Å; K508-E510 WeakPolarHBondContact CD-OE1 3.44Å; K508-E510 WeakPolarHBondContact CE-OE1 3.23Å; K508-E510 HydrophobicContact CG-CG 4.46Å; K508-E510 IonicContact NZ-OE1 2.9Å; K508-E510 PolarHBondContact NZ-OE1 3.38Å; K508-E510 IonicContact NZ-OE2 2.59Å; K508-E510 PolarHBondContact NZ-OE2 3.41Å; K508-E510 PolarHBondContact O-N 3.09Å; K508-E510 VanDerWaalsContact O-N 3.15Å; E510-L512 VanDerWaalsContact C-N 3.33Å; E510-L512 PolarHBondContact O-N 3.48Å; E510-K513 PolarHBondContact O-N 2.66Å; E510-K514 PolarHBondContact O-N 2.73Å
511	W	83.4	Confident	71.5	Confident	22 Å²	22	103.8 Å²	103.8	8%	0.083	46%	0.455	C	S	.	.	H	α-helix	trans	-72.6	-24.7	-179.3	-60.7	-10.9	0	0	0	113	F507 K508 Q509 K513 K514 F515 L518 F552 I554 I557	F507-W511 HydrophobicContact CD2-CE3 4.27Å; F507-W511 HydrophobicContact CE2-CE3 4.02Å; F507-W511 HydrophobicContact CZ-CB 4.42Å; K508-W511 HydrophobicContact CB-CD2 3.72Å; K508-W511 HydrophobicContact CB-CE3 4.19Å; K508-W511 HydrophobicContact CB-CG 4.07Å; K508-W511 HydrophobicContact CB-CH2 4.36Å; K508-W511 HydrophobicContact CB-CZ2 3.9Å; K508-W511 HydrophobicContact CD-CZ2 4.23Å; K508-W511 HydrophobicContact CG-CZ2 4.09Å; K508-W511 WeakPolarHBondContact O-CB 3.48Å; K508-W511 PolarHBondContact O-N 2.95Å; Q509-W511 PolarHBondContact O-N 2.89Å; Q509-W511 VanDerWaalsContact O-N 3.14Å; W511-K513 VanDerWaalsContact C-N 3.31Å; W511-K514 PolarHBondContact O-N 2.87Å; W511-F515 HydrophobicContact CB-CD2 4.27Å; W511-F515 WeakPolarHBondContact O-CB 3.37Å; W511-F515 WeakPolarHBondContact O-CD2 3.35Å; W511-F515 PolarHBondContact O-N 2.84Å; W511-L518 HydrophobicContact CB-CD2 4.42Å; W511-F552 HydrophobicContact CH2-CB 4.35Å; W511-F552 HydrophobicContact CZ3-CB 3.95Å; W511-I554 HydrophobicContact CH2-CB 4.45Å; W511-I554 HydrophobicContact CZ2-CB 3.96Å; W511-I557 HydrophobicContact CD2-CD1 4.07Å; W511-I557 HydrophobicContact CE3-CD1 3.42Å; W511-I557 VanDerWaalsContact CE3-CD1 3.42Å; W511-I557 HydrophobicContact CZ3-CD1 3.94Å
512	L	76.3	Confident	73.2	Confident	48 Å²	48	104.7 Å²	104.7	25%	0.251	45%	0.447	S	S	.	.	H	α-helix	trans	-68	-33.4	173.9	-61	176.1	0	0	0	111.6	F507 Q509 E510 L518	F507-L512 HydrophobicContact CE1-CD1 4.05Å; F507-L512 HydrophobicContact CE1-CD2 4.13Å; F507-L512 HydrophobicContact CE1-CG 3.82Å; F507-L512 HydrophobicContact CZ-CD1 4.49Å; F507-L512 HydrophobicContact CZ-CD2 3.74Å; F507-L512 HydrophobicContact CZ-CG 3.83Å; Q509-L512 HydrophobicContact CG-CD1 4.38Å; Q509-L512 PolarHBondContact O-N 2.66Å; Q509-L512 VanDerWaalsContact O-N 3.13Å; E510-L512 VanDerWaalsContact C-N 3.33Å; E510-L512 PolarHBondContact O-N 3.48Å; L512-L518 HydrophobicContact CD2-CB 4.27Å; L512-L518 HydrophobicContact CD2-CD2 4.37Å; L512-L518 HydrophobicContact CD2-CG 4.29Å; L512-L518 WeakPolarHBondContact CD2-O 3.18Å
513	K	70.7	Confident	75	Confident	200 Å²	200	99.3 Å²	99.3	87%	0.87	44%	0.441	S	S	*	.	H	α-helix	trans	-72.1	-32.1	172.5	-66.1	-169.7	175.1	-171	0	112.3	E510 W511	E510-K513 PolarHBondContact O-N 2.66Å; W511-K513 VanDerWaalsContact C-N 3.31Å
514	K	75.8	Confident	76.6	Confident	154 Å²	154	93.1 Å²	93.1	67%	0.67	43%	0.425	S	S	*	.	H	α-helix	trans	-88.2	-20.2	-177.6	-165.2	156.2	-170.4	157.4	0	114.4	E510 W511	E510-K514 PolarHBondContact O-N 2.73Å; W511-K514 PolarHBondContact O-N 2.87Å
515	F	81.3	Confident	78.2	Confident	20 Å²	20	89 Å²	89	9%	0.088	41%	0.405	C	S	.	.			trans	-135.3	82.2	-179.8	-59.4	-78.2	0	0	0	109.4	W511 F517 L518 I554 I557 K558	W511-F515 HydrophobicContact CB-CD2 4.27Å; W511-F515 WeakPolarHBondContact O-CB 3.37Å; W511-F515 WeakPolarHBondContact O-CD2 3.35Å; W511-F515 PolarHBondContact O-N 2.84Å; F515-F517 HydrophobicContact CB-CE1 4.05Å; F515-F517 HydrophobicContact CB-CE2 4.2Å; F515-F517 HydrophobicContact CB-CZ 3.79Å; F515-F517 HydrophobicContact CD1-CE1 4.01Å; F515-F517 AromaticContact CD1-CZ 3.72Å; F515-F517 HydrophobicContact CD1-CZ 3.72Å; F515-F517 HydrophobicContact CG-CZ 4.14Å; F515-F517 PolarHBondContact O-N 2.72Å; F515-L518 HydrophobicContact CB-CB 4.14Å; F515-L518 WeakPolarHBondContact O-CB 3.44Å; F515-L518 PolarHBondContact O-N 2.96Å; F515-I554 HydrophobicContact CE2-CD1 4.2Å; F515-I554 HydrophobicContact CE2-CG1 3.95Å; F515-I554 HydrophobicContact CZ-CG1 4.17Å; F515-I557 HydrophobicContact CB-CG2 4.15Å; F515-I557 HydrophobicContact CD1-CG2 3.79Å; F515-I557 HydrophobicContact CD2-CG2 3.72Å; F515-I557 HydrophobicContact CE1-CG2 4.04Å; F515-I557 HydrophobicContact CE2-CB 4.46Å; F515-I557 HydrophobicContact CE2-CG2 3.98Å; F515-I557 HydrophobicContact CG-CG2 3.61Å; F515-I557 HydrophobicContact CZ-CG2 4.13Å; F515-K558 HydrophobicContact CE1-CG 4.32Å; F515-K558 HydrophobicContact CZ-CG 4.03Å
516	W	79.6	Confident	79.4	Confident	119 Å²	119	83.5 Å²	83.5	45%	0.451	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.4	-171.9	66.4	-98.7	0	0	0	114.5	L518 R519 H530 V531 L570 Y573	W516-L518 PolarHBondContact O-N 2.91Å; W516-R519 PolarHBondContact O-NH1 3.28Å; W516-H530 AromaticContact CE3-NE2 3.94Å; W516-H530 AromaticContact CZ3-CE1 3.9Å; W516-H530 AromaticContact CZ3-NE2 3.79Å; W516-V531 HydrophobicContact CH2-CG2 3.65Å; W516-V531 HydrophobicContact CZ3-CG2 3.77Å; W516-L570 HydrophobicContact CH2-CD1 3.77Å; W516-L570 HydrophobicContact CZ2-CD1 3.62Å; W516-Y573 AromaticContact CH2-CD1 3.63Å; W516-Y573 HydrophobicContact CH2-CD1 3.63Å; W516-Y573 AromaticContact CH2-CE1 3.28Å; W516-Y573 HydrophobicContact CH2-CE1 3.28Å; W516-Y573 HydrophobicContact CZ2-CE1 4.39Å; W516-Y573 HydrophobicContact CZ3-CD1 4.18Å; W516-Y573 AromaticContact CZ3-CE1 3.42Å; W516-Y573 HydrophobicContact CZ3-CE1 3.42Å; W516-Y573 VanDerWaalsContact CZ3-CE1 3.42Å; W516-Y573 AromaticContact CZ3-CZ 3.7Å
517	F	80.6	Confident	80.3	Confident	12 Å²	12	73 Å²	73	5%	0.053	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.4	178.3	58.2	-103.5	0	0	0	113.4	F515 C529 H530 V531 I557 H566	F515-F517 HydrophobicContact CB-CE1 4.05Å; F515-F517 HydrophobicContact CB-CE2 4.2Å; F515-F517 HydrophobicContact CB-CZ 3.79Å; F515-F517 HydrophobicContact CD1-CE1 4.01Å; F515-F517 AromaticContact CD1-CZ 3.72Å; F515-F517 HydrophobicContact CD1-CZ 3.72Å; F515-F517 HydrophobicContact CG-CZ 4.14Å; F515-F517 PolarHBondContact O-N 2.72Å; F517-C529 HydrophobicContact CD2-CB 4.23Å; F517-C529 WeakPolarHBondContact O-CA 3.31Å; F517-H530 PolarHBondContact O-CD2 3.46Å; F517-H530 PolarHBondContact O-N 2.89Å; F517-V531 HydrophobicContact CB-CG2 3.96Å; F517-I557 HydrophobicContact CE2-CG2 4.27Å; F517-I557 HydrophobicContact CZ-CG2 4.22Å; F517-H566 AromaticContact CD1-CE1 3.74Å; F517-H566 AromaticContact CD1-NE2 3.84Å; F517-H566 AromaticContact CD2-CE1 3.71Å; F517-H566 AromaticContact CE2-CE1 4Å; F517-H566 AromaticContact CG-CE1 3.59Å
518	L	84.5	Confident	80.7	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141	-176.2	-164.5	71.1	0	0	0	110.6	F507 W511 L512 F515 W516 M527 F545 I557	F507-L518 HydrophobicContact CE2-CD2 4.03Å; F507-L518 HydrophobicContact CZ-CD2 4.11Å; W511-L518 HydrophobicContact CB-CD2 4.42Å; L512-L518 HydrophobicContact CD2-CB 4.27Å; L512-L518 HydrophobicContact CD2-CD2 4.37Å; L512-L518 HydrophobicContact CD2-CG 4.29Å; L512-L518 WeakPolarHBondContact CD2-O 3.18Å; F515-L518 HydrophobicContact CB-CB 4.14Å; F515-L518 WeakPolarHBondContact O-CB 3.44Å; F515-L518 PolarHBondContact O-N 2.96Å; W516-L518 PolarHBondContact O-N 2.91Å; L518-M527 HydrophobicContact CD1-CB 4.25Å; L518-M527 HydrophobicContact CD1-CG 4.4Å; L518-M527 HydrophobicContact CD1-SD 4.22Å; L518-M527 HydrophobicContact CD2-SD 4.3Å; L518-F545 HydrophobicContact CD1-CD1 4.22Å; L518-F545 HydrophobicContact CD1-CE1 3.96Å; L518-I557 HydrophobicContact CD2-CD1 3.87Å; L518-I557 HydrophobicContact CD2-CG2 4.41Å
519	R	84.8	Confident	81	Confident	111 Å²	111	69.9 Å²	69.9	42%	0.419	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.6	168.3	-64.9	-66.1	177.8	-83.9	-3.6	109.1	W516 M527 W528 H530	W516-R519 PolarHBondContact O-NH1 3.28Å; R519-M527 CarbonylContact O-C 3.57Å; R519-M527 WeakPolarHBondContact O-CA 3.33Å; R519-M527 WeakPolarHBondContact O-CB 3.32Å; R519-W528 HydrophobicContact CB-CD2 4.19Å; R519-W528 HydrophobicContact CB-CH2 4.26Å; R519-W528 HydrophobicContact CB-CZ2 3.73Å; R519-W528 PolarHBondContact N-O 3.43Å; R519-W528 PolarHBondContact O-N 3.05Å; R519-H530 HydrophobicContact CG-CB 4.16Å; R519-H530 VanDerWaalsContact CZ-CD2 3.46Å; R519-H530 PolarHBondContact NH2-NE2 2.94Å
520	Y	86	Confident	81.2	Confident	49 Å²	49	65.5 Å²	65.5	19%	0.192	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.5	179.9	169.1	-106.7	0	0	0	109.6	F507 P522 N525 E526 M527 F552	F507-Y520 HydrophobicContact CB-CD1 4.36Å; F507-Y520 HydrophobicContact CB-CD2 3.84Å; F507-Y520 HydrophobicContact CB-CE1 4.04Å; F507-Y520 HydrophobicContact CB-CE2 3.47Å; F507-Y520 VanDerWaalsContact CB-CE2 3.47Å; F507-Y520 HydrophobicContact CB-CG 4.27Å; F507-Y520 AromaticContact CD1-CD1 3.43Å; F507-Y520 HydrophobicContact CD1-CD1 3.43Å; F507-Y520 VanDerWaalsContact CD1-CD1 3.43Å; F507-Y520 AromaticContact CD1-CD2 3.86Å; F507-Y520 HydrophobicContact CD1-CD2 3.86Å; F507-Y520 AromaticContact CD1-CE1 3.84Å; F507-Y520 HydrophobicContact CD1-CE1 3.84Å; F507-Y520 HydrophobicContact CD1-CE2 4.24Å; F507-Y520 AromaticContact CD1-CG 3.44Å; F507-Y520 HydrophobicContact CD1-CG 3.44Å; F507-Y520 VanDerWaalsContact CD1-CG 3.44Å; F507-Y520 AromaticContact CD2-CD2 3.87Å; F507-Y520 HydrophobicContact CD2-CD2 3.87Å; F507-Y520 HydrophobicContact CD2-CE2 4.35Å; F507-Y520 HydrophobicContact CD2-CG 4.15Å; F507-Y520 AromaticContact CE1-CD1 3.91Å; F507-Y520 HydrophobicContact CE1-CD1 3.91Å; F507-Y520 HydrophobicContact CE1-CD2 4.4Å; F507-Y520 AromaticContact CE1-CG 3.72Å; F507-Y520 HydrophobicContact CE1-CG 3.72Å; F507-Y520 HydrophobicContact CE2-CD2 4.41Å; F507-Y520 HydrophobicContact CE2-CG 4.39Å; F507-Y520 AromaticContact CG-CD1 3.98Å; F507-Y520 HydrophobicContact CG-CD1 3.98Å; F507-Y520 AromaticContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CD2 3.56Å; F507-Y520 HydrophobicContact CG-CE1 4.17Å; F507-Y520 AromaticContact CG-CE2 3.77Å; F507-Y520 HydrophobicContact CG-CE2 3.77Å; F507-Y520 AromaticContact CG-CG 3.68Å; F507-Y520 HydrophobicContact CG-CG 3.68Å; F507-Y520 HydrophobicContact CZ-CG 4.2Å; Y520-P522 HydrophobicContact CD1-CG 4.18Å; Y520-P522 HydrophobicContact CE1-CB 4.14Å; Y520-P522 HydrophobicContact CE1-CG 3.86Å; Y520-N525 PolarHBondContact OH-OD1 2.9Å; Y520-E526 CarbonylContact C-O 3.56Å; Y520-E526 WeakPolarHBondContact CA-O 3.48Å; Y520-E526 VanDerWaalsContact CD2-O 3.28Å; Y520-E526 WeakPolarHBondContact CD2-O 3.42Å; Y520-M527 HydrophobicContact CD2-CB 4.34Å; Y520-F552 HydrophobicContact CD2-CE1 4.18Å; Y520-F552 HydrophobicContact CD2-CZ 4.32Å; Y520-F552 HydrophobicContact CE2-CE1 4.05Å; Y520-F552 AromaticContact CE2-CZ 3.74Å; Y520-F552 HydrophobicContact CE2-CZ 3.74Å
521	S	79.4	Confident	81.3	Confident	16 Å²	16	60.4 Å²	60.4	11%	0.112	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116	171.7	173.6	0	0	0	0	109.7	T523 L524 N525 E526	S521-T523 VanDerWaalsContact C-N 3.27Å; S521-T523 PolarHBondContact O-N 2.99Å; S521-T523 PolarHBondContact OG-N 3.15Å; S521-T523 PolarHBondContact OG-OG1 2.53Å; S521-T523 VanDerWaalsContact OG-OG1 3.05Å; S521-L524 PolarHBondContact OG-N 3.08Å; S521-N525 VanDerWaalsContact O-CA 3.28Å; S521-N525 WeakPolarHBondContact O-CA 3.36Å; S521-N525 PolarHBondContact O-N 3.43Å; S521-E526 PolarHBondContact N-O 2.75Å; S521-E526 PolarHBondContact O-N 3.26Å
522	P	75.9	Confident	81.3	Confident	97 Å²	97	59.4 Å²	59.4	63%	0.63	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.5	172.8	-22.3	33.5	0	0	0	113.6	Y520	Y520-P522 HydrophobicContact CD1-CG 4.18Å; Y520-P522 HydrophobicContact CE1-CB 4.14Å; Y520-P522 HydrophobicContact CE1-CG 3.86Å
523	T	76.6	Confident	81.7	Confident	129 Å²	129	62.5 Å²	62.5	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-34.9	-176.1	55.2	0	0	0	0	112.8	S521	S521-T523 VanDerWaalsContact C-N 3.27Å; S521-T523 PolarHBondContact O-N 2.99Å; S521-T523 PolarHBondContact OG-N 3.15Å; S521-T523 PolarHBondContact OG-OG1 2.53Å; S521-T523 VanDerWaalsContact OG-OG1 3.05Å
524	L	78.5	Confident	81.9	Confident	107 Å²	107	58.6 Å²	58.6	56%	0.56	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.9	175.2	-57.8	176.9	0	0	0	112.7	S521 E526 K550	S521-L524 PolarHBondContact OG-N 3.08Å; L524-E526 HydrophobicContact CB-CB 4.45Å; L524-K550 WeakPolarHBondContact O-CE 3.46Å
525	N	84	Confident	81.8	Confident	60 Å²	60	52.8 Å²	52.8	32%	0.321	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	50	-172.7	-170.5	27.6	0	0	0	112.1	Y520 S521 K550 F552	Y520-N525 PolarHBondContact OH-OD1 2.9Å; S521-N525 VanDerWaalsContact O-CA 3.28Å; S521-N525 WeakPolarHBondContact O-CA 3.36Å; S521-N525 PolarHBondContact O-N 3.43Å; N525-K550 WeakPolarHBondContact O-CG 3.45Å; N525-F552 WeakPolarHBondContact O-CZ 3.45Å; N525-F552 VanDerWaalsContact OD1-CE2 3.25Å; N525-F552 WeakPolarHBondContact OD1-CE2 3.37Å; N525-F552 WeakPolarHBondContact OD1-CZ 3.32Å
526	E	86.9	Confident	81.7	Confident	41 Å²	41	52.3 Å²	52.3	19%	0.192	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.8	-176.1	-77.1	173.3	-159.9	0	0	111.5	Y520 S521 L524 S549 K550	Y520-E526 CarbonylContact C-O 3.56Å; Y520-E526 WeakPolarHBondContact CA-O 3.48Å; Y520-E526 VanDerWaalsContact CD2-O 3.28Å; Y520-E526 WeakPolarHBondContact CD2-O 3.42Å; S521-E526 PolarHBondContact N-O 2.75Å; S521-E526 PolarHBondContact O-N 3.26Å; L524-E526 HydrophobicContact CB-CB 4.45Å; E526-S549 WeakPolarHBondContact CA-O 3.37Å; E526-K550 VanDerWaalsContact CD-CE 3.49Å; E526-K550 HydrophobicContact CG-CD 4.21Å; E526-K550 HydrophobicContact CG-CG 3.72Å; E526-K550 WeakPolarHBondContact OE1-CE 3.45Å; E526-K550 IonicContact OE1-NZ 3.43Å; E526-K550 PolarHBondContact OE1-NZ 3.41Å
527	M	86.1	Confident	81	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.9	167.3	68.8	176.8	179.6	0	0	111.6	F507 L518 R519 Y520 F545 S549 Q551 F552 I557	F507-M527 HydrophobicContact CD2-CB 4.41Å; F507-M527 HydrophobicContact CD2-SD 4.3Å; F507-M527 HydrophobicContact CE2-CB 4.11Å; F507-M527 HydrophobicContact CE2-SD 4.01Å; L518-M527 HydrophobicContact CD1-CB 4.25Å; L518-M527 HydrophobicContact CD1-CG 4.4Å; L518-M527 HydrophobicContact CD1-SD 4.22Å; L518-M527 HydrophobicContact CD2-SD 4.3Å; R519-M527 CarbonylContact O-C 3.57Å; R519-M527 WeakPolarHBondContact O-CA 3.33Å; R519-M527 WeakPolarHBondContact O-CB 3.32Å; Y520-M527 HydrophobicContact CD2-CB 4.34Å; M527-F545 HydrophobicContact CE-CE1 3.81Å; M527-F545 HydrophobicContact CE-CZ 3.9Å; M527-F545 HydrophobicContact CG-CE1 4.43Å; M527-F545 HydrophobicContact SD-CE1 4.26Å; M527-S549 PolarHBondContact N-O 2.98Å; M527-S549 PolarHBondContact O-N 3.43Å; M527-Q551 VanDerWaalsContact CE-O 3.25Å; M527-Q551 WeakPolarHBondContact CE-O 3.28Å; M527-F552 HydrophobicContact CB-CE1 4.14Å; M527-F552 HydrophobicContact CE-CD1 4.17Å; M527-F552 HydrophobicContact CG-CD1 4.07Å; M527-F552 HydrophobicContact CG-CE1 3.91Å; M527-F552 HydrophobicContact SD-CD1 3.82Å; M527-F552 HydrophobicContact SD-CE1 4.27Å; M527-I557 HydrophobicContact CE-CD1 4.24Å; M527-I557 HydrophobicContact CE-CG1 3.95Å; M527-I557 HydrophobicContact SD-CD1 3.85Å; M527-I557 HydrophobicContact SD-CG1 4.06Å
528	W	87.9	Confident	80	Confident	55 Å²	55	58.3 Å²	58.3	21%	0.208	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	161.7	175.4	67.3	95.5	0	0	0	111	R519 F545	R519-W528 HydrophobicContact CB-CD2 4.19Å; R519-W528 HydrophobicContact CB-CH2 4.26Å; R519-W528 HydrophobicContact CB-CZ2 3.73Å; R519-W528 PolarHBondContact N-O 3.43Å; R519-W528 PolarHBondContact O-N 3.05Å; W528-F545 WeakPolarHBondContact CB-O 3.39Å
529	C	88.3	Confident	78.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.5	172	177.3	0	0	0	0	108.6	F517 V531 C532 R533 F545 H560	F517-C529 HydrophobicContact CD2-CB 4.23Å; F517-C529 WeakPolarHBondContact O-CA 3.31Å; C529-V531 VanDerWaalsContact C-N 3.28Å; C529-V531 PolarHBondContact O-N 3.26Å; C529-C532 HydrophobicContact CB-CB 4.19Å; C529-C532 PolarHBondContact SG-N 3.36Å; C529-C532 VanDerWaalsContact SG-N 3.44Å; C529-R533 VanDerWaalsContact O-CB 3.24Å; C529-R533 WeakPolarHBondContact O-CB 3.27Å; C529-R533 PolarHBondContact O-N 3.35Å; C529-F545 HydrophobicContact CB-CB 4.07Å; C529-F545 PolarHBondContact N-O 3.49Å; C529-H560 WeakPolarHBondContact CB-NE2 3.33Å; C529-H560 PolarHBondContact SG-NE2 2.6Å; C529-H560 VanDerWaalsContact SG-NE2 3.38Å
530	H	79.7	Confident	77.3	Confident	29 Å²	29	60.5 Å²	60.5	13%	0.134	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-33.7	-178	73.8	82.8	0	0	0	111.8	W516 F517 R519 R533 Q534 Y573	W516-H530 AromaticContact CE3-NE2 3.94Å; W516-H530 AromaticContact CZ3-CE1 3.9Å; W516-H530 AromaticContact CZ3-NE2 3.79Å; F517-H530 PolarHBondContact O-CD2 3.46Å; F517-H530 PolarHBondContact O-N 2.89Å; R519-H530 HydrophobicContact CG-CB 4.16Å; R519-H530 VanDerWaalsContact CZ-CD2 3.46Å; R519-H530 PolarHBondContact NH2-NE2 2.94Å; H530-R533 PolarHBondContact O-N 2.87Å; H530-Q534 VanDerWaalsContact O-CB 3.24Å; H530-Q534 WeakPolarHBondContact O-CB 3.37Å; H530-Q534 PolarHBondContact O-N 2.71Å; H530-Y573 AromaticContact CE1-CE2 3.89Å; H530-Y573 AromaticContact CE1-CZ 3.96Å
531	V	81.8	Confident	76.2	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.8	-57.7	175.3	176	0	0	0	0	110.7	W516 F517 C529 R533 Q534 Y535 C569 Y573	W516-V531 HydrophobicContact CH2-CG2 3.65Å; W516-V531 HydrophobicContact CZ3-CG2 3.77Å; F517-V531 HydrophobicContact CB-CG2 3.96Å; C529-V531 VanDerWaalsContact C-N 3.28Å; C529-V531 PolarHBondContact O-N 3.26Å; V531-R533 VanDerWaalsContact C-N 3.34Å; V531-R533 PolarHBondContact O-N 3.29Å; V531-Q534 PolarHBondContact O-N 3.11Å; V531-Y535 VanDerWaalsContact O-CD2 3.28Å; V531-Y535 WeakPolarHBondContact O-CD2 3.45Å; V531-Y535 PolarHBondContact O-N 3.45Å; V531-C569 HydrophobicContact CG1-CB 3.95Å; V531-C569 WeakPolarHBondContact CG1-O 3.28Å; V531-Y573 HydrophobicContact CG1-CG 4.25Å; V531-Y573 HydrophobicContact CG2-CD1 4.25Å; V531-Y573 HydrophobicContact CG2-CD2 3.96Å; V531-Y573 HydrophobicContact CG2-CE1 4.46Å; V531-Y573 HydrophobicContact CG2-CE2 4.18Å; V531-Y573 HydrophobicContact CG2-CG 3.99Å
532	C	83.6	Confident	75.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-39.3	179	-64.3	0	0	0	0	112	C529 Q534 Y535 T536 I546 H560	C529-C532 HydrophobicContact CB-CB 4.19Å; C529-C532 PolarHBondContact SG-N 3.36Å; C529-C532 VanDerWaalsContact SG-N 3.44Å; C532-Q534 PolarHBondContact O-N 3.5Å; C532-Y535 PolarHBondContact O-N 3Å; C532-T536 HydrophobicContact CB-CG2 4.32Å; C532-T536 VanDerWaalsContact O-CG2 3.26Å; C532-T536 WeakPolarHBondContact O-CG2 3.41Å; C532-T536 PolarHBondContact O-N 3.44Å; C532-T536 PolarHBondContact O-OG1 3.34Å; C532-I546 HydrophobicContact CB-CG1 4.07Å; C532-H560 PolarHBondContact SG-CE1 2.94Å
533	R	83.9	Confident	75.2	Confident	113 Å²	113	66.7 Å²	66.7	43%	0.426	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-27.5	178	-170.8	171.9	-173.4	143.2	7.9	113.7	C529 H530 V531 I546 I547	C529-R533 VanDerWaalsContact O-CB 3.24Å; C529-R533 WeakPolarHBondContact O-CB 3.27Å; C529-R533 PolarHBondContact O-N 3.35Å; H530-R533 PolarHBondContact O-N 2.87Å; V531-R533 VanDerWaalsContact C-N 3.34Å; V531-R533 PolarHBondContact O-N 3.29Å; R533-I546 VanDerWaalsContact CD-O 3.28Å; R533-I546 WeakPolarHBondContact CD-O 3.33Å; R533-I546 VanDerWaalsContact CG-O 3.32Å; R533-I546 WeakPolarHBondContact CG-O 3.35Å; R533-I547 PolarHBondContact NH1-O 3.03Å
534	Q	74.8	Confident	75.1	Confident	118 Å²	118	62.9 Å²	62.9	55%	0.551	33%	0.332	S	S	*	.	H	α-helix	trans	-95	-30.9	-178.5	-172.7	175.2	6.6	0	0	113.6	H530 V531 C532	H530-Q534 VanDerWaalsContact O-CB 3.24Å; H530-Q534 WeakPolarHBondContact O-CB 3.37Å; H530-Q534 PolarHBondContact O-N 2.71Å; V531-Q534 PolarHBondContact O-N 3.11Å; C532-Q534 PolarHBondContact O-N 3.5Å
535	Y	73.9	Confident	75.2	Confident	32 Å²	32	58.2 Å²	58.2	13%	0.125	31%	0.307	C	S	.	.	H	α-helix	trans	-117.8	19.3	-170.4	-59.2	-82.5	0	0	0	115	V531 C532 C569 L572 Y573	V531-Y535 VanDerWaalsContact O-CD2 3.28Å; V531-Y535 WeakPolarHBondContact O-CD2 3.45Å; V531-Y535 PolarHBondContact O-N 3.45Å; C532-Y535 PolarHBondContact O-N 3Å; Y535-C569 PolarHBondContact O-SG 3.05Å; Y535-L572 HydrophobicContact CD1-CB 4.42Å; Y535-Y573 HydrophobicContact CD2-CD2 4.31Å; Y535-Y573 AromaticContact CE2-CD2 3.63Å; Y535-Y573 HydrophobicContact CE2-CD2 3.63Å; Y535-Y573 HydrophobicContact CE2-CE2 4.49Å
536	T	79.1	Confident	75	Confident	10 Å²	10	55.7 Å²	55.7	6%	0.061	29%	0.294	C	S	.	.	S	Bend	trans	-100.7	133.2	168	57.3	0	0	0	0	112.7	C532 I546 L565 C569	C532-T536 HydrophobicContact CB-CG2 4.32Å; C532-T536 VanDerWaalsContact O-CG2 3.26Å; C532-T536 WeakPolarHBondContact O-CG2 3.41Å; C532-T536 PolarHBondContact O-N 3.44Å; C532-T536 PolarHBondContact O-OG1 3.34Å; T536-I546 HydrophobicContact CG2-CD1 3.78Å; T536-I546 HydrophobicContact CG2-CG1 4.33Å; T536-L565 HydrophobicContact CG2-CD1 4.01Å; T536-L565 HydrophobicContact CG2-CD2 4.23Å; T536-L565 HydrophobicContact CG2-CG 4.18Å; T536-C569 WeakPolarHBondContact CG2-SG 3.34Å
537	V	65.4	Low	74.6	Confident	104 Å²	104	58.7 Å²	58.7	63%	0.63	31%	0.31	S	S	*	.			trans	-54.5	146	171.9	-165	0	0	0	0	110.9	S539 S540	V537-S539 PolarHBondContact O-N 2.97Å; V537-S540 PolarHBondContact O-N 3.06Å
538	Q	58.8	Low	74.2	Confident	153 Å²	153	59.6 Å²	59.6	72%	0.715	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-56.1	-34.4	-174.5	-86.9	163.2	-68.8	0	0	114.2	S540 R541	Q538-S540 PolarHBondContact O-N 3.32Å; Q538-R541 WeakPolarHBondContact O-CG 3.26Å
539	S	53.3	Low	74	Confident	105 Å²	105	57.5 Å²	57.5	73%	0.734	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-65.9	-18	177.8	50.2	0	0	0	0	114.6	V537	V537-S539 PolarHBondContact O-N 2.97Å
540	S	59.2	Low	73.7	Confident	52 Å²	52	63.5 Å²	63.5	36%	0.364	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-106.8	13.9	-174.6	-46.5	0	0	0	0	114.3	V537 Q538 T542	V537-S540 PolarHBondContact O-N 3.06Å; Q538-S540 PolarHBondContact O-N 3.32Å; S540-T542 PolarHBondContact O-N 3.27Å
541	R	63.4	Low	73.6	Confident	122 Å²	122	66.4 Å²	66.4	46%	0.46	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	14.2	-168	-71.8	-176.2	170.8	-176.1	-1.7	116.3	Q538 S543 I546 I547	Q538-R541 WeakPolarHBondContact O-CG 3.26Å; R541-S543 PolarHBondContact O-N 3.35Å; R541-I546 HydrophobicContact CB-CG2 4.23Å; R541-I546 HydrophobicContact CG-CG2 4.16Å; R541-I547 WeakPolarHBondContact O-CD1 3.28Å; R541-I547 WeakPolarHBondContact O-CG1 3.45Å
542	T	60.8	Low	73.7	Confident	131 Å²	131	66.8 Å²	66.8	80%	0.804	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.5	-175.7	54.5	0	0	0	0	115	S540	S540-T542 PolarHBondContact O-N 3.27Å
543	S	73.3	Confident	73.7	Confident	39 Å²	39	70.8 Å²	70.8	27%	0.273	37%	0.372	S	S	.	.	S	Bend	trans	-69.6	134.4	-177.7	-168.6	0	0	0	0	112.6	R541 F545 I546 I547	R541-S543 PolarHBondContact O-N 3.35Å; S543-F545 PolarHBondContact O-N 3.18Å; S543-I546 WeakPolarHBondContact O-CB 3.43Å; S543-I546 PolarHBondContact O-N 3.35Å; S543-I547 PolarHBondContact O-N 3.19Å
544	A	74.1	Confident	73.6	Confident	49 Å²	49	68.8 Å²	68.8	41%	0.405	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-22	178.5	0	0	0	0	0	114.2	G548 S549	A544-G548 CarbonylContact O-C 3.53Å; A544-G548 WeakPolarHBondContact O-CA 3.36Å; A544-G548 PolarHBondContact O-N 2.93Å; A544-G548 VanDerWaalsContact O-N 3.13Å; A544-S549 PolarHBondContact O-N 3.16Å
545	F	81.6	Confident	73.9	Confident	9 Å²	9	69.4 Å²	69.4	4%	0.039	37%	0.371	C	S	.	.	H	α-helix	trans	-85	-6.3	173.8	-76	-79	0	0	0	114.4	L518 M527 W528 C529 S543 T556 I557 H560	L518-F545 HydrophobicContact CD1-CD1 4.22Å; L518-F545 HydrophobicContact CD1-CE1 3.96Å; M527-F545 HydrophobicContact CE-CE1 3.81Å; M527-F545 HydrophobicContact CE-CZ 3.9Å; M527-F545 HydrophobicContact CG-CE1 4.43Å; M527-F545 HydrophobicContact SD-CE1 4.26Å; W528-F545 WeakPolarHBondContact CB-O 3.39Å; C529-F545 HydrophobicContact CB-CB 4.07Å; C529-F545 PolarHBondContact N-O 3.49Å; S543-F545 PolarHBondContact O-N 3.18Å; F545-T556 HydrophobicContact CE2-CG2 3.83Å; F545-T556 WeakPolarHBondContact CE2-O 3.4Å; F545-T556 HydrophobicContact CZ-CG2 4.08Å; F545-I557 HydrophobicContact CE1-CG1 4.18Å; F545-I557 HydrophobicContact CZ-CB 4.48Å; F545-I557 HydrophobicContact CZ-CG1 4.01Å; F545-H560 HydrophobicContact CD2-CB 3.59Å; F545-H560 AromaticContact CD2-CG 3.5Å; F545-H560 AromaticContact CD2-ND1 3.73Å; F545-H560 HydrophobicContact CE2-CB 3.5Å; F545-H560 VanDerWaalsContact CE2-CB 3.5Å; F545-H560 AromaticContact CE2-CG 3.94Å; F545-H560 HydrophobicContact CG-CB 4.25Å; F545-H560 AromaticContact CG-CD2 3.89Å; F545-H560 AromaticContact CG-CG 3.75Å; F545-H560 AromaticContact CG-ND1 3.95Å; F545-H560 HydrophobicContact CZ-CB 4.11Å
546	I	78.6	Confident	74.4	Confident	8 Å²	8	70 Å²	70	4%	0.041	38%	0.378	C	S	.	.	H	α-helix	trans	-90.8	-52.1	172.6	-63.6	165.8	0	0	0	109.3	C532 R533 T536 R541 S543 L565	C532-I546 HydrophobicContact CB-CG1 4.07Å; R533-I546 VanDerWaalsContact CD-O 3.28Å; R533-I546 WeakPolarHBondContact CD-O 3.33Å; R533-I546 VanDerWaalsContact CG-O 3.32Å; R533-I546 WeakPolarHBondContact CG-O 3.35Å; T536-I546 HydrophobicContact CG2-CD1 3.78Å; T536-I546 HydrophobicContact CG2-CG1 4.33Å; R541-I546 HydrophobicContact CB-CG2 4.23Å; R541-I546 HydrophobicContact CG-CG2 4.16Å; S543-I546 WeakPolarHBondContact O-CB 3.43Å; S543-I546 PolarHBondContact O-N 3.35Å; I546-L565 HydrophobicContact CD1-CD2 4.29Å
547	I	78.3	Confident	74.6	Confident	104 Å²	104	69.5 Å²	69.5	53%	0.533	38%	0.375	S	S	.	.	H	α-helix	trans	-72	-58.8	-177.9	-55.1	174.3	0	0	0	110.4	R533 R541 S543	R533-I547 PolarHBondContact NH1-O 3.03Å; R541-I547 WeakPolarHBondContact O-CD1 3.28Å; R541-I547 WeakPolarHBondContact O-CG1 3.45Å; S543-I547 PolarHBondContact O-N 3.19Å
548	G	79.5	Confident	75.6	Confident	18 Å²	18	69.9 Å²	69.9	19%	0.186	37%	0.368	C	S	.	.			trans	151.1	136.2	-171.8	0	0	0	0	0	110.4	A544	A544-G548 CarbonylContact O-C 3.53Å; A544-G548 WeakPolarHBondContact O-CA 3.36Å; A544-G548 PolarHBondContact O-N 2.93Å; A544-G548 VanDerWaalsContact O-N 3.13Å
549	S	82.5	Confident	76.8	Confident	12 Å²	12	67.6 Å²	67.6	8%	0.084	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-127.8	129.7	-176.4	-169.7	0	0	0	0	112.7	E526 M527 A544 Q551	E526-S549 WeakPolarHBondContact CA-O 3.37Å; M527-S549 PolarHBondContact N-O 2.98Å; M527-S549 PolarHBondContact O-N 3.43Å; A544-S549 PolarHBondContact O-N 3.16Å; S549-Q551 PolarHBondContact OG-N 2.91Å
550	K	81.5	Confident	78.4	Confident	125 Å²	125	63.2 Å²	63.2	54%	0.543	33%	0.328	S	S	.	.			trans	-92.8	2.6	174.3	-52.6	-168.2	167	154.4	0	112.8	L524 N525 E526 F552	L524-K550 WeakPolarHBondContact O-CE 3.46Å; N525-K550 WeakPolarHBondContact O-CG 3.45Å; E526-K550 VanDerWaalsContact CD-CE 3.49Å; E526-K550 HydrophobicContact CG-CD 4.21Å; E526-K550 HydrophobicContact CG-CG 3.72Å; E526-K550 WeakPolarHBondContact OE1-CE 3.45Å; E526-K550 IonicContact OE1-NZ 3.43Å; E526-K550 PolarHBondContact OE1-NZ 3.41Å; K550-F552 PolarHBondContact O-N 2.97Å
551	Q	78.7	Confident	79.5	Confident	90 Å²	90	62.4 Å²	62.4	42%	0.421	32%	0.322	S	S	.	.			trans	-96.8	81.3	-172	-176.6	61.8	-88.1	0	0	111.5	M527 S549 K553	M527-Q551 VanDerWaalsContact CE-O 3.25Å; M527-Q551 WeakPolarHBondContact CE-O 3.28Å; S549-Q551 PolarHBondContact OG-N 2.91Å; Q551-K553 HydrophobicContact CG-CD 4.19Å; Q551-K553 HydrophobicContact CG-CG 4.31Å; Q551-K553 PolarHBondContact O-N 3.31Å
552	F	83.3	Confident	80.4	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.035	33%	0.328	C	S	.	.			trans	-74.8	84	-176	-50.7	-51.6	0	0	0	112.6	R505 F507 W511 Y520 N525 M527 K550	R505-F552 WeakPolarHBondContact O-CD2 3.35Å; F507-F552 HydrophobicContact CB-CD1 4.13Å; F507-F552 HydrophobicContact CB-CD2 4.28Å; F507-F552 HydrophobicContact CB-CE1 4.11Å; F507-F552 HydrophobicContact CB-CE2 4.27Å; F507-F552 HydrophobicContact CB-CG 4.21Å; F507-F552 HydrophobicContact CB-CZ 4.18Å; F507-F552 AromaticContact CD2-CD1 3.61Å; F507-F552 HydrophobicContact CD2-CD1 3.61Å; F507-F552 AromaticContact CD2-CE1 3.87Å; F507-F552 HydrophobicContact CD2-CE1 3.87Å; F507-F552 HydrophobicContact CD2-CG 4.3Å; F507-F552 HydrophobicContact CG-CD1 4.35Å; F507-F552 HydrophobicContact CG-CE1 4.4Å; W511-F552 HydrophobicContact CH2-CB 4.35Å; W511-F552 HydrophobicContact CZ3-CB 3.95Å; Y520-F552 HydrophobicContact CD2-CE1 4.18Å; Y520-F552 HydrophobicContact CD2-CZ 4.32Å; Y520-F552 HydrophobicContact CE2-CE1 4.05Å; Y520-F552 AromaticContact CE2-CZ 3.74Å; Y520-F552 HydrophobicContact CE2-CZ 3.74Å; N525-F552 WeakPolarHBondContact O-CZ 3.45Å; N525-F552 VanDerWaalsContact OD1-CE2 3.25Å; N525-F552 WeakPolarHBondContact OD1-CE2 3.37Å; N525-F552 WeakPolarHBondContact OD1-CZ 3.32Å; M527-F552 HydrophobicContact CB-CE1 4.14Å; M527-F552 HydrophobicContact CE-CD1 4.17Å; M527-F552 HydrophobicContact CG-CD1 4.07Å; M527-F552 HydrophobicContact CG-CE1 3.91Å; M527-F552 HydrophobicContact SD-CD1 3.82Å; M527-F552 HydrophobicContact SD-CE1 4.27Å; K550-F552 PolarHBondContact O-N 2.97Å
553	K	83.8	Confident	81.6	Confident	85 Å²	85	58 Å²	58	37%	0.37	30%	0.302	S	S	.	.			trans	-129.4	120.7	174	-68.3	-179	180	-178.9	0	110.1	Q551 H555 T556 I557	Q551-K553 HydrophobicContact CG-CD 4.19Å; Q551-K553 HydrophobicContact CG-CG 4.31Å; Q551-K553 PolarHBondContact O-N 3.31Å; K553-H555 VanDerWaalsContact C-N 3.25Å; K553-H555 PolarHBondContact O-N 3.48Å; K553-T556 WeakPolarHBondContact O-CB 3.29Å; K553-T556 PolarHBondContact O-N 3.43Å; K553-I557 PolarHBondContact O-N 2.84Å
554	I	81.1	Confident	81.9	Confident	70 Å²	70	61.8 Å²	61.8	36%	0.359	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-33.5	178.6	-169	169.1	0	0	0	113.3	W511 F515 T556 I557 K558	W511-I554 HydrophobicContact CH2-CB 4.45Å; W511-I554 HydrophobicContact CZ2-CB 3.96Å; F515-I554 HydrophobicContact CE2-CD1 4.2Å; F515-I554 HydrophobicContact CE2-CG1 3.95Å; F515-I554 HydrophobicContact CZ-CG1 4.17Å; I554-T556 VanDerWaalsContact C-N 3.31Å; I554-T556 PolarHBondContact O-N 3.3Å; I554-I557 PolarHBondContact O-N 3.11Å; I554-K558 PolarHBondContact O-N 3.04Å
555	H	81.8	Confident	82.3	Confident	131 Å²	131	62.6 Å²	62.6	61%	0.606	32%	0.316	S	S	*	.	H	α-helix	trans	-59.5	-41	173.7	-171.7	-81.1	0	0	0	112.2	K553 I557 K558 L559	K553-H555 VanDerWaalsContact C-N 3.25Å; K553-H555 PolarHBondContact O-N 3.48Å; H555-I557 VanDerWaalsContact C-N 3.31Å; H555-I557 PolarHBondContact O-N 2.97Å; H555-K558 PolarHBondContact O-N 2.76Å; H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 PolarHBondContact O-N 2.93Å
556	T	83.6	Confident	82.3	Confident	44 Å²	44	62.3 Å²	62.3	27%	0.27	32%	0.315	S	S	.	.	H	α-helix	trans	-68.2	-31.1	179.1	-55.5	0	0	0	0	111.7	F545 K553 I554 H560	F545-T556 HydrophobicContact CE2-CG2 3.83Å; F545-T556 WeakPolarHBondContact CE2-O 3.4Å; F545-T556 HydrophobicContact CZ-CG2 4.08Å; K553-T556 WeakPolarHBondContact O-CB 3.29Å; K553-T556 PolarHBondContact O-N 3.43Å; I554-T556 VanDerWaalsContact C-N 3.31Å; I554-T556 PolarHBondContact O-N 3.3Å; T556-H560 WeakPolarHBondContact O-CB 3.45Å; T556-H560 PolarHBondContact O-N 3.15Å; T556-H560 VanDerWaalsContact O-N 3.12Å
557	I	84.6	Confident	82.5	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-72.5	-43.9	173.1	-55.4	166.8	0	0	0	110.9	W511 F515 F517 L518 M527 F545 K553 I554 H555 H560 S561	W511-I557 HydrophobicContact CD2-CD1 4.07Å; W511-I557 HydrophobicContact CE3-CD1 3.42Å; W511-I557 VanDerWaalsContact CE3-CD1 3.42Å; W511-I557 HydrophobicContact CZ3-CD1 3.94Å; F515-I557 HydrophobicContact CB-CG2 4.15Å; F515-I557 HydrophobicContact CD1-CG2 3.79Å; F515-I557 HydrophobicContact CD2-CG2 3.72Å; F515-I557 HydrophobicContact CE1-CG2 4.04Å; F515-I557 HydrophobicContact CE2-CB 4.46Å; F515-I557 HydrophobicContact CE2-CG2 3.98Å; F515-I557 HydrophobicContact CG-CG2 3.61Å; F515-I557 HydrophobicContact CZ-CG2 4.13Å; F517-I557 HydrophobicContact CE2-CG2 4.27Å; F517-I557 HydrophobicContact CZ-CG2 4.22Å; L518-I557 HydrophobicContact CD2-CD1 3.87Å; L518-I557 HydrophobicContact CD2-CG2 4.41Å; M527-I557 HydrophobicContact CE-CD1 4.24Å; M527-I557 HydrophobicContact CE-CG1 3.95Å; M527-I557 HydrophobicContact SD-CD1 3.85Å; M527-I557 HydrophobicContact SD-CG1 4.06Å; F545-I557 HydrophobicContact CE1-CG1 4.18Å; F545-I557 HydrophobicContact CZ-CB 4.48Å; F545-I557 HydrophobicContact CZ-CG1 4.01Å; K553-I557 PolarHBondContact O-N 2.84Å; I554-I557 PolarHBondContact O-N 3.11Å; H555-I557 VanDerWaalsContact C-N 3.31Å; H555-I557 PolarHBondContact O-N 2.97Å; I557-H560 PolarHBondContact O-N 3.3Å; I557-S561 PolarHBondContact O-N 3.13Å
558	K	85.6	Confident	82.5	Confident	113 Å²	113	70 Å²	70	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-57.6	-51.8	173.2	-77.9	-169.6	170.7	-166.9	0	111.6	F515 I554 H555 H560 S561 Q562	F515-K558 HydrophobicContact CE1-CG 4.32Å; F515-K558 HydrophobicContact CZ-CG 4.03Å; I554-K558 PolarHBondContact O-N 3.04Å; H555-K558 PolarHBondContact O-N 2.76Å; K558-H560 VanDerWaalsContact C-N 3.27Å; K558-H560 PolarHBondContact O-N 3.37Å; K558-S561 PolarHBondContact O-N 3.4Å; K558-S561 PolarHBondContact O-OG 3.44Å; K558-Q562 PolarHBondContact O-N 3.5Å
559	L	84.8	Confident	82.5	Confident	105 Å²	105	69.3 Å²	69.3	55%	0.55	34%	0.337	S	S	.	.	H	α-helix	trans	-59.5	-37.8	-179.9	-167.1	71.2	0	0	0	111.8	H555 Q562 S563	H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 PolarHBondContact O-N 2.93Å; L559-Q562 PolarHBondContact O-N 2.66Å; L559-S563 PolarHBondContact O-N 2.7Å; L559-S563 VanDerWaalsContact O-N 3.16Å
560	H	85.5	Confident	82.2	Confident	13 Å²	13	70.4 Å²	70.4	6%	0.06	34%	0.342	C	S	.	.	H	α-helix	trans	-62.6	-48	171.1	176.2	64.3	0	0	0	112.3	C529 C532 F545 T556 I557 K558 Q562 S563 H566	C529-H560 WeakPolarHBondContact CB-NE2 3.33Å; C529-H560 PolarHBondContact SG-NE2 2.6Å; C529-H560 VanDerWaalsContact SG-NE2 3.38Å; C532-H560 PolarHBondContact SG-CE1 2.94Å; F545-H560 HydrophobicContact CD2-CB 3.59Å; F545-H560 AromaticContact CD2-CG 3.5Å; F545-H560 AromaticContact CD2-ND1 3.73Å; F545-H560 HydrophobicContact CE2-CB 3.5Å; F545-H560 VanDerWaalsContact CE2-CB 3.5Å; F545-H560 AromaticContact CE2-CG 3.94Å; F545-H560 HydrophobicContact CG-CB 4.25Å; F545-H560 AromaticContact CG-CD2 3.89Å; F545-H560 AromaticContact CG-CG 3.75Å; F545-H560 AromaticContact CG-ND1 3.95Å; F545-H560 HydrophobicContact CZ-CB 4.11Å; T556-H560 WeakPolarHBondContact O-CB 3.45Å; T556-H560 PolarHBondContact O-N 3.15Å; T556-H560 VanDerWaalsContact O-N 3.12Å; I557-H560 PolarHBondContact O-N 3.3Å; K558-H560 VanDerWaalsContact C-N 3.27Å; K558-H560 PolarHBondContact O-N 3.37Å; H560-Q562 PolarHBondContact O-N 3.33Å; H560-S563 VanDerWaalsContact O-CB 3.31Å; H560-S563 WeakPolarHBondContact O-CB 3.5Å; H560-S563 PolarHBondContact O-N 3Å; H560-S563 PolarHBondContact O-OG 3.42Å; H560-H566 AromaticContact CD2-ND1 3.52Å; H560-H566 AromaticContact CE1-ND1 3.72Å; H560-H566 AromaticContact NE2-CE1 3.91Å; H560-H566 AromaticContact NE2-CG 3.94Å; H560-H566 AromaticContact NE2-ND1 3.02Å; H560-H566 PolarHBondContact NE2-ND1 3.12Å; H560-H566 WeakPolarHBondContact O-CB 3.08Å
561	S	83.3	Confident	81.6	Confident	34 Å²	34	70.1 Å²	70.1	24%	0.238	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-28.1	179.3	68.5	0	0	0	0	113.9	I557 K558 H566	I557-S561 PolarHBondContact O-N 3.13Å; K558-S561 PolarHBondContact O-N 3.4Å; K558-S561 PolarHBondContact O-OG 3.44Å; S561-H566 PolarHBondContact O-CD2 3.35Å
562	Q	83.3	Confident	81	Confident	122 Å²	122	69.8 Å²	69.8	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-85.2	-14.8	176.7	-68.9	170.4	-49.5	0	0	113.3	K558 L559 H560 K567	K558-Q562 PolarHBondContact O-N 3.5Å; L559-Q562 PolarHBondContact O-N 2.66Å; H560-Q562 PolarHBondContact O-N 3.33Å; Q562-K567 WeakPolarHBondContact O-CE 3.36Å; Q562-K567 PolarHBondContact O-NZ 3.11Å
563	S	85.7	Confident	80.3	Confident	38 Å²	38	71.4 Å²	71.4	27%	0.266	35%	0.349	S	S	.	.	S	Bend	trans	-66.7	144.3	-175.4	73.1	0	0	0	0	113.1	L559 H560 L565 H566 K567	L559-S563 PolarHBondContact O-N 2.7Å; L559-S563 VanDerWaalsContact O-N 3.16Å; H560-S563 VanDerWaalsContact O-CB 3.31Å; H560-S563 WeakPolarHBondContact O-CB 3.5Å; H560-S563 PolarHBondContact O-N 3Å; H560-S563 PolarHBondContact O-OG 3.42Å; S563-L565 PolarHBondContact O-N 2.81Å; S563-H566 WeakPolarHBondContact O-CB 3.31Å; S563-H566 PolarHBondContact O-N 3.27Å; S563-H566 WeakPolarHBondContact OG-CB 3.41Å; S563-H566 PolarHBondContact OG-N 3.33Å; S563-K567 PolarHBondContact O-N 3.42Å
564	N	79.2	Confident	79.2	Confident	119 Å²	119	72.4 Å²	72.4	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-62.2	-31.1	-178.5	-67.3	-16.6	0	0	0	112.9	K567 K568	N564-K567 PolarHBondContact O-N 2.98Å; N564-K568 WeakPolarHBondContact O-CG 3.3Å; N564-K568 PolarHBondContact O-N 2.82Å
565	L	81.3	Confident	78.1	Confident	66 Å²	66	73.3 Å²	73.3	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-44	172.5	-173.1	64.2	0	0	0	111.6	T536 I546 S563 K568 C569	T536-L565 HydrophobicContact CG2-CD1 4.01Å; T536-L565 HydrophobicContact CG2-CD2 4.23Å; T536-L565 HydrophobicContact CG2-CG 4.18Å; I546-L565 HydrophobicContact CD1-CD2 4.29Å; S563-L565 PolarHBondContact O-N 2.81Å; L565-K568 PolarHBondContact O-N 3.05Å; L565-C569 PolarHBondContact O-N 3.27Å; L565-C569 PolarHBondContact O-SG 3.13Å; L565-C569 VanDerWaalsContact O-SG 3.32Å
566	H	82.8	Confident	76.7	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.019	36%	0.362	C	S	.	.	H	α-helix	trans	-63.7	-44.7	175.4	-173.4	92.5	0	0	0	111.6	F517 H560 S561 S563 K568 C569 L570	F517-H566 AromaticContact CD1-CE1 3.74Å; F517-H566 AromaticContact CD1-NE2 3.84Å; F517-H566 AromaticContact CD2-CE1 3.71Å; F517-H566 AromaticContact CE2-CE1 4Å; F517-H566 AromaticContact CG-CE1 3.59Å; H560-H566 AromaticContact CD2-ND1 3.52Å; H560-H566 AromaticContact CE1-ND1 3.72Å; H560-H566 AromaticContact NE2-CE1 3.91Å; H560-H566 AromaticContact NE2-CG 3.94Å; H560-H566 AromaticContact NE2-ND1 3.02Å; H560-H566 PolarHBondContact NE2-ND1 3.12Å; H560-H566 WeakPolarHBondContact O-CB 3.08Å; S561-H566 PolarHBondContact O-CD2 3.35Å; S563-H566 WeakPolarHBondContact O-CB 3.31Å; S563-H566 PolarHBondContact O-N 3.27Å; S563-H566 WeakPolarHBondContact OG-CB 3.41Å; S563-H566 PolarHBondContact OG-N 3.33Å; H566-K568 PolarHBondContact O-N 3.05Å; H566-C569 PolarHBondContact O-N 3.16Å; H566-L570 WeakPolarHBondContact O-CB 3.35Å; H566-L570 PolarHBondContact O-N 2.98Å
567	K	81.9	Confident	74.5	Confident	114 Å²	114	77.4 Å²	77.4	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-56.8	-48.2	175.9	-68.7	173.9	179.7	167.9	0	112	Q562 S563 N564 L570 Q571	Q562-K567 WeakPolarHBondContact O-CE 3.36Å; Q562-K567 PolarHBondContact O-NZ 3.11Å; S563-K567 PolarHBondContact O-N 3.42Å; N564-K567 PolarHBondContact O-N 2.98Å; K567-L570 PolarHBondContact O-N 2.74Å; K567-Q571 PolarHBondContact O-N 3.16Å
568	K	78.8	Confident	72.6	Confident	158 Å²	158	82.9 Å²	82.9	69%	0.687	39%	0.394	S	S	*	.	H	α-helix	trans	-62.3	-48.6	177.4	-73.8	-168.7	176	-164.4	0	112.5	N564 L565 H566 L570 Q571 L572	N564-K568 WeakPolarHBondContact O-CG 3.3Å; N564-K568 PolarHBondContact O-N 2.82Å; L565-K568 PolarHBondContact O-N 3.05Å; H566-K568 PolarHBondContact O-N 3.05Å; K568-L570 VanDerWaalsContact C-N 3.27Å; K568-L570 PolarHBondContact O-N 3.42Å; K568-Q571 WeakPolarHBondContact O-CB 3.49Å; K568-Q571 PolarHBondContact O-N 2.8Å; K568-L572 PolarHBondContact O-N 2.93Å
569	C	79.1	Confident	70.5	Confident	4 Å²	4	81 Å²	81	3%	0.027	39%	0.393	C	S	.	.	H	α-helix	trans	-64	-32.3	176.6	-64.4	0	0	0	0	112.8	V531 Y535 T536 L565 H566 Y573	V531-C569 HydrophobicContact CG1-CB 3.95Å; V531-C569 WeakPolarHBondContact CG1-O 3.28Å; Y535-C569 PolarHBondContact O-SG 3.05Å; T536-C569 WeakPolarHBondContact CG2-SG 3.34Å; L565-C569 PolarHBondContact O-N 3.27Å; L565-C569 PolarHBondContact O-SG 3.13Å; L565-C569 VanDerWaalsContact O-SG 3.32Å; H566-C569 PolarHBondContact O-N 3.16Å; C569-Y573 WeakPolarHBondContact O-CB 3.41Å; C569-Y573 PolarHBondContact O-N 2.9Å
570	L	76.8	Confident	68.3	Low	35 Å²	35	83.7 Å²	83.7	18%	0.183	40%	0.403	C	S	.	.	H	α-helix	trans	-71.6	-33	175.6	179.8	58.5	0	0	0	112.4	W516 H566 K567 K568 Y573 K574	W516-L570 HydrophobicContact CH2-CD1 3.77Å; W516-L570 HydrophobicContact CZ2-CD1 3.62Å; H566-L570 WeakPolarHBondContact O-CB 3.35Å; H566-L570 PolarHBondContact O-N 2.98Å; K567-L570 PolarHBondContact O-N 2.74Å; K568-L570 VanDerWaalsContact C-N 3.27Å; K568-L570 PolarHBondContact O-N 3.42Å; L570-Y573 HydrophobicContact CD1-CD1 4.1Å; L570-Y573 PolarHBondContact O-N 2.82Å; L570-K574 HydrophobicContact CD1-CG 4.37Å; L570-K574 WeakPolarHBondContact O-CB 3.33Å; L570-K574 VanDerWaalsContact O-CG 3.32Å; L570-K574 WeakPolarHBondContact O-CG 3.38Å; L570-K574 PolarHBondContact O-N 3.01Å
571	Q	69.3	Low	66.2	Low	119 Å²	119	90.6 Å²	90.6	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-61.3	-50.6	171.6	-159.5	77.5	-8.1	0	0	110.5	K567 K568 Y573 K574 L575	K567-Q571 PolarHBondContact O-N 3.16Å; K568-Q571 WeakPolarHBondContact O-CB 3.49Å; K568-Q571 PolarHBondContact O-N 2.8Å; Q571-Y573 VanDerWaalsContact C-N 3.32Å; Q571-Y573 PolarHBondContact O-N 2.99Å; Q571-K574 PolarHBondContact O-N 2.8Å; Q571-L575 WeakPolarHBondContact O-CG 3.42Å; Q571-L575 PolarHBondContact O-N 2.99Å; Q571-L575 VanDerWaalsContact O-N 3.08Å
572	L	66.4	Low	65	Low	83 Å²	83	91.2 Å²	91.2	44%	0.435	44%	0.435	S	S	.	.	H	α-helix	trans	-62.5	-36.2	176.4	-64.8	172.5	0	0	0	112.7	Y535 K568 R576	Y535-L572 HydrophobicContact CD1-CB 4.42Å; K568-L572 PolarHBondContact O-N 2.93Å; L572-R576 PolarHBondContact O-N 2.9Å
573	Y	68.3	Low	64.1	Low	42 Å²	42	90.2 Å²	90.2	17%	0.165	43%	0.43	C	S	.	.	H	α-helix	trans	-64.4	-49.3	173.4	-178.9	-99	0	0	0	111.6	W516 H530 V531 Y535 C569 L570 Q571 L575 R576 M577	W516-Y573 AromaticContact CH2-CD1 3.63Å; W516-Y573 HydrophobicContact CH2-CD1 3.63Å; W516-Y573 AromaticContact CH2-CE1 3.28Å; W516-Y573 HydrophobicContact CH2-CE1 3.28Å; W516-Y573 HydrophobicContact CZ2-CE1 4.39Å; W516-Y573 HydrophobicContact CZ3-CD1 4.18Å; W516-Y573 AromaticContact CZ3-CE1 3.42Å; W516-Y573 HydrophobicContact CZ3-CE1 3.42Å; W516-Y573 VanDerWaalsContact CZ3-CE1 3.42Å; W516-Y573 AromaticContact CZ3-CZ 3.7Å; H530-Y573 AromaticContact CE1-CE2 3.89Å; H530-Y573 AromaticContact CE1-CZ 3.96Å; V531-Y573 HydrophobicContact CG1-CG 4.25Å; V531-Y573 HydrophobicContact CG2-CD1 4.25Å; V531-Y573 HydrophobicContact CG2-CD2 3.96Å; V531-Y573 HydrophobicContact CG2-CE1 4.46Å; V531-Y573 HydrophobicContact CG2-CE2 4.18Å; V531-Y573 HydrophobicContact CG2-CG 3.99Å; Y535-Y573 HydrophobicContact CD2-CD2 4.31Å; Y535-Y573 AromaticContact CE2-CD2 3.63Å; Y535-Y573 HydrophobicContact CE2-CD2 3.63Å; Y535-Y573 HydrophobicContact CE2-CE2 4.49Å; C569-Y573 WeakPolarHBondContact O-CB 3.41Å; C569-Y573 PolarHBondContact O-N 2.9Å; L570-Y573 HydrophobicContact CD1-CD1 4.1Å; L570-Y573 PolarHBondContact O-N 2.82Å; Q571-Y573 VanDerWaalsContact C-N 3.32Å; Q571-Y573 PolarHBondContact O-N 2.99Å; Y573-L575 VanDerWaalsContact C-N 3.34Å; Y573-L575 PolarHBondContact O-N 2.83Å; Y573-R576 CarbonylContact O-C 3.57Å; Y573-R576 PolarHBondContact O-N 2.78Å; Y573-R576 VanDerWaalsContact O-N 3.08Å; Y573-M577 HydrophobicContact CD1-CB 4.33Å; Y573-M577 HydrophobicContact CD1-CG 3.95Å; Y573-M577 HydrophobicContact CD2-CE 4.12Å; Y573-M577 HydrophobicContact CD2-CG 3.66Å; Y573-M577 HydrophobicContact CD2-SD 4.25Å; Y573-M577 HydrophobicContact CE1-CB 4.11Å; Y573-M577 HydrophobicContact CE1-CG 3.75Å; Y573-M577 HydrophobicContact CE1-SD 4.37Å; Y573-M577 HydrophobicContact CE2-CE 3.62Å; Y573-M577 HydrophobicContact CE2-CG 3.45Å; Y573-M577 VanDerWaalsContact CE2-CG 3.45Å; Y573-M577 HydrophobicContact CE2-SD 3.49Å; Y573-M577 WeakPolarHBondContact CE2-SD 3.33Å; Y573-M577 HydrophobicContact CG-CG 3.91Å; Y573-M577 VanDerWaalsContact CZ-CG 3.49Å; Y573-M577 VanDerWaalsContact CZ-SD 3.56Å; Y573-M577 WeakPolarHBondContact O-CB 3.46Å; Y573-M577 WeakPolarHBondContact O-CG 3.29Å; Y573-M577 PolarHBondContact O-N 2.84Å
574	K	59.6	Low	63.3	Low	107 Å²	107	92.3 Å²	92.3	47%	0.465	44%	0.436	S	S	.	.	H	α-helix	trans	-57.1	-45	177.9	-77	174.6	174.9	-173.4	0	112.1	L570 Q571 R576 M577 H578	L570-K574 HydrophobicContact CD1-CG 4.37Å; L570-K574 WeakPolarHBondContact O-CB 3.33Å; L570-K574 VanDerWaalsContact O-CG 3.32Å; L570-K574 WeakPolarHBondContact O-CG 3.38Å; L570-K574 PolarHBondContact O-N 3.01Å; Q571-K574 PolarHBondContact O-N 2.8Å; K574-R576 PolarHBondContact O-N 3.36Å; K574-M577 PolarHBondContact O-N 2.81Å; K574-H578 PolarHBondContact O-N 3.32Å
575	L	58.1	Low	63	Low	88 Å²	88	90 Å²	90	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-60.1	-30.4	177.2	-71.3	168.2	0	0	0	113	Q571 Y573	Q571-L575 WeakPolarHBondContact O-CG 3.42Å; Q571-L575 PolarHBondContact O-N 2.99Å; Q571-L575 VanDerWaalsContact O-N 3.08Å; Y573-L575 VanDerWaalsContact C-N 3.34Å; Y573-L575 PolarHBondContact O-N 2.83Å
576	R	53.5	Low	62.7	Low	179 Å²	179	88.7 Å²	88.7	68%	0.675	42%	0.418	S	S	*	.	H	α-helix	trans	-98.1	-5.4	178.8	-72	178.3	175.3	-166.1	3.2	114.8	L572 Y573 K574	L572-R576 PolarHBondContact O-N 2.9Å; Y573-R576 CarbonylContact O-C 3.57Å; Y573-R576 PolarHBondContact O-N 2.78Å; Y573-R576 VanDerWaalsContact O-N 3.08Å; K574-R576 PolarHBondContact O-N 3.36Å
577	M	37.5	Very low	62.6	Low	82 Å²	82	95.8 Å²	95.8	40%	0.404	45%	0.445	S	S	.	.	H	α-helix	trans	-118.9	-0.6	-172.9	-65.1	-89.8	154.8	0	0	113.7	Y573 K574 P579	Y573-M577 HydrophobicContact CD1-CB 4.33Å; Y573-M577 HydrophobicContact CD1-CG 3.95Å; Y573-M577 HydrophobicContact CD2-CE 4.12Å; Y573-M577 HydrophobicContact CD2-CG 3.66Å; Y573-M577 HydrophobicContact CD2-SD 4.25Å; Y573-M577 HydrophobicContact CE1-CB 4.11Å; Y573-M577 HydrophobicContact CE1-CG 3.75Å; Y573-M577 HydrophobicContact CE1-SD 4.37Å; Y573-M577 HydrophobicContact CE2-CE 3.62Å; Y573-M577 HydrophobicContact CE2-CG 3.45Å; Y573-M577 VanDerWaalsContact CE2-CG 3.45Å; Y573-M577 HydrophobicContact CE2-SD 3.49Å; Y573-M577 WeakPolarHBondContact CE2-SD 3.33Å; Y573-M577 HydrophobicContact CG-CG 3.91Å; Y573-M577 VanDerWaalsContact CZ-CG 3.49Å; Y573-M577 VanDerWaalsContact CZ-SD 3.56Å; Y573-M577 WeakPolarHBondContact O-CB 3.46Å; Y573-M577 WeakPolarHBondContact O-CG 3.29Å; Y573-M577 PolarHBondContact O-N 2.84Å; K574-M577 PolarHBondContact O-N 2.81Å; M577-P579 WeakPolarHBondContact O-CD 3.41Å
578	H	43.3	Very low	62.7	Low	116 Å²	116	91.8 Å²	91.8	54%	0.537	43%	0.428	S	S	.	.			trans	-114.4	61.6	161.3	-65.7	-64.4	0	0	0	110.4	K574 E580 K581 T582	K574-H578 PolarHBondContact O-N 3.32Å; H578-E580 PolarHBondContact O-N 3.02Å; H578-E580 VanDerWaalsContact O-N 3.17Å; H578-K581 HydrophobicContact CB-CB 4.37Å; H578-K581 PolarHBondContact O-N 3Å; H578-T582 PolarHBondContact O-N 2.9Å; H578-T582 PolarHBondContact O-OG1 3.25Å
579	P	41.5	Very low	63	Low	74 Å²	74	84.2 Å²	84.2	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-57.4	-31.8	-176.6	25.9	-35.5	0	0	0	112.3	M577 K581 T582 E583	M577-P579 WeakPolarHBondContact O-CD 3.41Å; P579-K581 VanDerWaalsContact C-N 3.34Å; P579-K581 PolarHBondContact O-N 3.22Å; P579-T582 WeakPolarHBondContact CA-OG1 3.36Å; P579-T582 PolarHBondContact O-N 3.48Å; P579-T582 PolarHBondContact O-OG1 2.92Å; P579-E583 WeakPolarHBondContact O-CB 3.46Å; P579-E583 PolarHBondContact O-N 2.92Å
580	E	38.4	Very low	63.4	Low	161 Å²	161	86 Å²	86	75%	0.752	41%	0.407	S	S	*	.	H	α-helix	trans	-62.1	-39	176.6	-67.7	158	-140.9	0	0	112.6	H578 E584	H578-E580 PolarHBondContact O-N 3.02Å; H578-E580 VanDerWaalsContact O-N 3.17Å; E580-E584 VanDerWaalsContact O-CB 3.23Å; E580-E584 WeakPolarHBondContact O-CB 3.27Å; E580-E584 PolarHBondContact O-N 3.03Å
581	K	42.2	Very low	64	Low	157 Å²	157	86.1 Å²	86.1	68%	0.683	41%	0.407	S	S	*	.	H	α-helix	trans	-80	-29.5	179	-71.3	-163.5	172.6	-166.4	0	113.1	H578 P579 M585	H578-K581 HydrophobicContact CB-CB 4.37Å; H578-K581 PolarHBondContact O-N 3Å; P579-K581 VanDerWaalsContact C-N 3.34Å; P579-K581 PolarHBondContact O-N 3.22Å; K581-M585 WeakPolarHBondContact O-CB 3.45Å; K581-M585 PolarHBondContact O-N 2.94Å; K581-M585 VanDerWaalsContact O-N 3.14Å
582	T	58.3	Low	65	Low	48 Å²	48	80.4 Å²	80.4	29%	0.294	38%	0.38	S	S	.	.	H	α-helix	trans	-78.7	-35.3	171.5	42.8	0	0	0	0	111.9	H578 P579 M585 C586	H578-T582 PolarHBondContact O-N 2.9Å; H578-T582 PolarHBondContact O-OG1 3.25Å; P579-T582 WeakPolarHBondContact CA-OG1 3.36Å; P579-T582 PolarHBondContact O-N 3.48Å; P579-T582 PolarHBondContact O-OG1 2.92Å; T582-M585 PolarHBondContact O-N 3.14Å; T582-C586 VanDerWaalsContact O-CB 3.3Å; T582-C586 WeakPolarHBondContact O-CB 3.46Å; T582-C586 PolarHBondContact O-N 3.42Å; T582-C586 PolarHBondContact O-SG 3.28Å
583	E	64.3	Low	66.3	Low	101 Å²	101	76.5 Å²	76.5	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-71	-40.9	175.6	-167.3	-177.2	-169.8	0	0	111.9	P579 C586 R587	P579-E583 WeakPolarHBondContact O-CB 3.46Å; P579-E583 PolarHBondContact O-N 2.92Å; E583-C586 PolarHBondContact O-N 2.86Å; E583-R587 VanDerWaalsContact O-CG 3.28Å; E583-R587 WeakPolarHBondContact O-CG 3.27Å; E583-R587 PolarHBondContact O-N 3.46Å; E583-R587 IonicContact OE1-CZ 2.63Å; E583-R587 IonicContact OE1-NE 3.99Å; E583-R587 IonicContact OE1-NH2 2.72Å; E583-R587 PolarHBondContact OE1-NH2 3.36Å; E583-R587 IonicContact OE2-CZ 2.79Å; E583-R587 IonicContact OE2-NH2 2.63Å; E583-R587 PolarHBondContact OE2-NH2 3.18Å
584	E	69.7	Low	67.4	Low	81 Å²	81	77 Å²	77	38%	0.379	37%	0.365	S	S	.	.	H	α-helix	trans	-63.5	-44.5	171.1	-176.5	166.7	-134.6	0	0	111.3	E580 C586 R587 N588 K622	E580-E584 VanDerWaalsContact O-CB 3.23Å; E580-E584 WeakPolarHBondContact O-CB 3.27Å; E580-E584 PolarHBondContact O-N 3.03Å; E584-C586 PolarHBondContact O-N 2.89Å; E584-R587 PolarHBondContact O-N 2.93Å; E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 3.07Å; E584-N588 PolarHBondContact O-ND2 2.74Å; E584-N588 PolarHBondContact O-OD1 2.81Å; E584-K622 WeakPolarHBondContact OE1-CD 3.45Å; E584-K622 IonicContact OE1-NZ 2.78Å; E584-K622 PolarHBondContact OE1-NZ 2.94Å
585	M	72.8	Confident	69	Low	72 Å²	72	72.4 Å²	72.4	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-42.2	173.5	-175.2	62.7	73.5	0	0	111.9	K581 T582 N588 M589 V624 F1137	K581-M585 WeakPolarHBondContact O-CB 3.45Å; K581-M585 PolarHBondContact O-N 2.94Å; K581-M585 VanDerWaalsContact O-N 3.14Å; T582-M585 PolarHBondContact O-N 3.14Å; M585-N588 PolarHBondContact O-N 3.27Å; M585-M589 HydrophobicContact CG-CG 4.19Å; M585-M589 VanDerWaalsContact O-CB 3.28Å; M585-M589 WeakPolarHBondContact O-CB 3.47Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.43Å; M585-M589 PolarHBondContact O-N 3.03Å; M585-M589 HydrophobicContact SD-CG 3.97Å; M585-V624 HydrophobicContact SD-CG2 4.02Å; M585-F1137 HydrophobicContact CG-CZ 4.18Å
586	C	74.8	Confident	70.8	Confident	37 Å²	37	68.2 Å²	68.2	25%	0.25	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-48	175.7	-75	0	0	0	0	111.3	T582 E583 E584 N588 M589 T590 L1133 F1137	T582-C586 VanDerWaalsContact O-CB 3.3Å; T582-C586 WeakPolarHBondContact O-CB 3.46Å; T582-C586 PolarHBondContact O-N 3.42Å; T582-C586 PolarHBondContact O-SG 3.28Å; E583-C586 PolarHBondContact O-N 2.86Å; E584-C586 PolarHBondContact O-N 2.89Å; C586-N588 VanDerWaalsContact C-N 3.35Å; C586-N588 PolarHBondContact O-N 3.31Å; C586-M589 PolarHBondContact O-N 2.52Å; C586-T590 WeakPolarHBondContact O-CB 3.46Å; C586-T590 PolarHBondContact O-N 3.1Å; C586-T590 PolarHBondContact O-OG1 2.71Å; C586-L1133 HydrophobicContact CB-CD2 3.92Å; C586-F1137 VanDerWaalsContact SG-CE2 3.5Å
587	R	80.3	Confident	72.8	Confident	154 Å²	154	59.7 Å²	59.7	58%	0.581	29%	0.292	S	S	*	.	H	α-helix	trans	-60	-44.2	178	-69.7	167.6	-173.2	170.1	3.7	111.8	E583 E584 T590 L591	E583-R587 VanDerWaalsContact O-CG 3.28Å; E583-R587 WeakPolarHBondContact O-CG 3.27Å; E583-R587 PolarHBondContact O-N 3.46Å; E583-R587 IonicContact OE1-CZ 2.63Å; E583-R587 IonicContact OE1-NE 3.99Å; E583-R587 IonicContact OE1-NH2 2.72Å; E583-R587 PolarHBondContact OE1-NH2 3.36Å; E583-R587 IonicContact OE2-CZ 2.79Å; E583-R587 IonicContact OE2-NH2 2.63Å; E583-R587 PolarHBondContact OE2-NH2 3.18Å; E584-R587 PolarHBondContact O-N 2.93Å; R587-T590 PolarHBondContact O-N 3.43Å; R587-L591 PolarHBondContact O-N 2.96Å
588	N	83.1	Confident	75.5	Confident	29 Å²	29	59 Å²	59	16%	0.155	29%	0.288	C	S	.	.	H	α-helix	trans	-71	-34.2	-179.5	-58.1	-4.7	0	0	0	111.9	E584 M585 C586 L591 L592 K622 V624	E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 3.07Å; E584-N588 PolarHBondContact O-ND2 2.74Å; E584-N588 PolarHBondContact O-OD1 2.81Å; M585-N588 PolarHBondContact O-N 3.27Å; C586-N588 VanDerWaalsContact C-N 3.35Å; C586-N588 PolarHBondContact O-N 3.31Å; N588-L591 WeakPolarHBondContact O-CB 3.32Å; N588-L592 PolarHBondContact O-N 2.65Å; N588-K622 VanDerWaalsContact CB-O 3.29Å; N588-K622 WeakPolarHBondContact CB-O 3.31Å; N588-K622 VanDerWaalsContact CG-O 3.26Å; N588-K622 WeakPolarHBondContact OD1-CB 3.38Å; N588-K622 PolarHBondContact OD1-O 2.96Å; N588-V624 HydrophobicContact CB-CG2 3.59Å
589	M	86.1	Confident	77.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.1	-38.9	173.1	-73.1	-58.5	-60.4	0	0	112.3	M585 C586 L591 L592 F593 V624 Y627 L636 L1133 W1136	M585-M589 HydrophobicContact CG-CG 4.19Å; M585-M589 VanDerWaalsContact O-CB 3.28Å; M585-M589 WeakPolarHBondContact O-CB 3.47Å; M585-M589 VanDerWaalsContact O-CG 3.27Å; M585-M589 WeakPolarHBondContact O-CG 3.43Å; M585-M589 PolarHBondContact O-N 3.03Å; M585-M589 HydrophobicContact SD-CG 3.97Å; C586-M589 PolarHBondContact O-N 2.52Å; M589-L591 PolarHBondContact O-N 2.98Å; M589-L592 CarbonylContact O-C 3.58Å; M589-L592 WeakPolarHBondContact O-CA 3.41Å; M589-L592 WeakPolarHBondContact O-CB 3.13Å; M589-L592 PolarHBondContact O-N 2.93Å; M589-L592 HydrophobicContact SD-CD1 4.01Å; M589-F593 HydrophobicContact CB-CD2 4.49Å; M589-F593 HydrophobicContact CE-CE2 4.22Å; M589-F593 WeakPolarHBondContact O-CD2 3.27Å; M589-F593 PolarHBondContact O-N 3.4Å; M589-V624 HydrophobicContact SD-CG2 4.22Å; M589-Y627 HydrophobicContact CE-CD2 4.07Å; M589-Y627 HydrophobicContact CE-CG 4.4Å; M589-Y627 HydrophobicContact SD-CD2 3.46Å; M589-Y627 WeakPolarHBondContact SD-CD2 3.34Å; M589-Y627 HydrophobicContact SD-CE2 3.93Å; M589-Y627 HydrophobicContact SD-CG 4.28Å; M589-L636 HydrophobicContact CE-CD2 3.83Å; M589-L1133 HydrophobicContact CB-CD1 3.62Å; M589-L1133 HydrophobicContact CG-CD1 4.48Å; M589-W1136 HydrophobicContact CE-CD2 4.47Å; M589-W1136 HydrophobicContact CE-CE3 4.47Å; M589-W1136 HydrophobicContact CE-CH2 3.7Å; M589-W1136 HydrophobicContact CE-CZ2 3.68Å; M589-W1136 HydrophobicContact CE-CZ3 4.1Å; M589-W1136 HydrophobicContact CG-CH2 4.43Å; M589-W1136 HydrophobicContact CG-CZ3 4.36Å; M589-W1136 HydrophobicContact SD-CH2 4.16Å
590	T	87.9	Confident	80.3	Confident	42 Å²	42	49.9 Å²	49.9	26%	0.258	24%	0.239	S	C	.	.	H	α-helix	trans	-54.6	-38.3	172.2	-70.7	0	0	0	0	110.9	C586 R587 F593 N594 A1129	C586-T590 WeakPolarHBondContact O-CB 3.46Å; C586-T590 PolarHBondContact O-N 3.1Å; C586-T590 PolarHBondContact O-OG1 2.71Å; R587-T590 PolarHBondContact O-N 3.43Å; T590-F593 PolarHBondContact O-N 2.93Å; T590-N594 WeakPolarHBondContact O-CB 3.17Å; T590-N594 PolarHBondContact O-N 3.12Å; T590-N594 PolarHBondContact O-OD1 3.17Å; T590-A1129 HydrophobicContact CG2-CB 4.16Å
591	L	89.1	Confident	82.8	Confident	36 Å²	36	44.1 Å²	44.1	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-43.8	174.2	-176.5	61.2	0	0	0	112.5	R587 N588 M589 N594 T595 L616 L621 V623	R587-L591 PolarHBondContact O-N 2.96Å; N588-L591 WeakPolarHBondContact O-CB 3.32Å; M589-L591 PolarHBondContact O-N 2.98Å; L591-N594 PolarHBondContact O-N 3.19Å; L591-T595 WeakPolarHBondContact O-CB 3.48Å; L591-T595 PolarHBondContact O-N 3.36Å; L591-T595 PolarHBondContact O-OG1 2.98Å; L591-L616 HydrophobicContact CD1-CD1 4.03Å; L591-L616 HydrophobicContact CD1-CD2 4.34Å; L591-L616 HydrophobicContact CD2-CB 4.5Å; L591-L616 HydrophobicContact CG-CD1 4.16Å; L591-L621 HydrophobicContact CD1-CD1 4.07Å; L591-L621 HydrophobicContact CD2-CB 3.64Å; L591-L621 HydrophobicContact CD2-CD1 4.08Å; L591-L621 HydrophobicContact CD2-CG 4.46Å; L591-V623 HydrophobicContact CD2-CG2 3.88Å
592	L	90.4	Very high	85.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.4	-40.9	174.9	-73.3	170.9	0	0	0	112.2	N588 M589 T595 A596 F609 A613 V623 V624 M628 L636	N588-L592 PolarHBondContact O-N 2.65Å; M589-L592 CarbonylContact O-C 3.58Å; M589-L592 WeakPolarHBondContact O-CA 3.41Å; M589-L592 WeakPolarHBondContact O-CB 3.13Å; M589-L592 PolarHBondContact O-N 2.93Å; M589-L592 HydrophobicContact SD-CD1 4.01Å; L592-T595 WeakPolarHBondContact O-CB 3.33Å; L592-T595 PolarHBondContact O-N 3.43Å; L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 2.65Å; L592-F609 HydrophobicContact CB-CZ 4.35Å; L592-F609 HydrophobicContact CD2-CE1 4.3Å; L592-F609 HydrophobicContact CD2-CE2 4.49Å; L592-F609 HydrophobicContact CD2-CZ 3.77Å; L592-A613 HydrophobicContact CD2-CB 4.15Å; L592-V623 HydrophobicContact CD2-CG1 3.91Å; L592-V623 HydrophobicContact CG-CG1 4.41Å; L592-V624 HydrophobicContact CD1-CB 4.03Å; L592-V624 HydrophobicContact CD1-CG2 4.46Å; L592-M628 HydrophobicContact CD2-CG 4.38Å; L592-L636 HydrophobicContact CB-CD1 4.1Å
593	F	92.4	Very high	86.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-45.6	173	-91.4	-82.6	0	0	0	111.8	M589 T590 T595 A596 Y597 L636 H639 I640 A1129 A1132 L1133 W1136	M589-F593 HydrophobicContact CB-CD2 4.49Å; M589-F593 HydrophobicContact CE-CE2 4.22Å; M589-F593 WeakPolarHBondContact O-CD2 3.27Å; M589-F593 PolarHBondContact O-N 3.4Å; T590-F593 PolarHBondContact O-N 2.93Å; F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 2.82Å; F593-A596 PolarHBondContact O-N 2.8Å; F593-Y597 VanDerWaalsContact O-CB 3.24Å; F593-Y597 WeakPolarHBondContact O-CB 3.07Å; F593-Y597 PolarHBondContact O-N 3.32Å; F593-L636 HydrophobicContact CD1-CB 4.46Å; F593-L636 HydrophobicContact CD1-CD2 4.24Å; F593-L636 HydrophobicContact CD2-CD2 3.79Å; F593-L636 HydrophobicContact CE1-CB 4.33Å; F593-L636 HydrophobicContact CE1-CD2 3.89Å; F593-L636 HydrophobicContact CE2-CD2 3.4Å; F593-L636 VanDerWaalsContact CE2-CD2 3.4Å; F593-L636 HydrophobicContact CG-CD2 4.19Å; F593-L636 HydrophobicContact CZ-CD2 3.46Å; F593-L636 VanDerWaalsContact CZ-CD2 3.46Å; F593-H639 HydrophobicContact CE1-CB 4.18Å; F593-H639 HydrophobicContact CZ-CB 4.46Å; F593-I640 HydrophobicContact CD1-CD1 3.89Å; F593-I640 HydrophobicContact CD1-CG1 3.63Å; F593-I640 HydrophobicContact CE1-CG1 4.03Å; F593-A1129 HydrophobicContact CB-CB 3.7Å; F593-A1129 HydrophobicContact CG-CB 4.31Å; F593-A1132 HydrophobicContact CD1-CB 4.02Å; F593-A1132 HydrophobicContact CE1-CB 3.69Å; F593-L1133 HydrophobicContact CD2-CB 4.41Å; F593-L1133 HydrophobicContact CD2-CD1 3.86Å; F593-L1133 HydrophobicContact CE2-CB 4.19Å; F593-L1133 HydrophobicContact CE2-CD1 3.55Å; F593-L1133 HydrophobicContact CE2-CG 4.5Å; F593-W1136 HydrophobicContact CE2-CB 4.41Å; F593-W1136 HydrophobicContact CE2-CG 4.46Å; F593-W1136 HydrophobicContact CZ-CB 3.85Å; F593-W1136 HydrophobicContact CZ-CG 4.14Å
594	N	93.1	Very high	87.6	Confident	52 Å²	52	38.9 Å²	38.9	28%	0.278	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-34.2	176.6	-68.9	0.5	0	0	0	112	T590 L591 H598 F1127	T590-N594 WeakPolarHBondContact O-CB 3.17Å; T590-N594 PolarHBondContact O-N 3.12Å; T590-N594 PolarHBondContact O-OD1 3.17Å; L591-N594 PolarHBondContact O-N 3.19Å; N594-H598 PolarHBondContact O-N 2.94Å; N594-F1127 WeakPolarHBondContact OD1-CD1 3.18Å; N594-F1127 WeakPolarHBondContact OD1-CE1 3.22Å
595	T	93.2	Very high	88.4	Confident	11 Å²	11	36.1 Å²	36.1	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-45.8	175.6	-53.7	0	0	0	0	111.2	L591 L592 F593 Y597 H598 L599 F609 L612 L616	L591-T595 WeakPolarHBondContact O-CB 3.48Å; L591-T595 PolarHBondContact O-N 3.36Å; L591-T595 PolarHBondContact O-OG1 2.98Å; L592-T595 WeakPolarHBondContact O-CB 3.33Å; L592-T595 PolarHBondContact O-N 3.43Å; F593-T595 VanDerWaalsContact C-N 3.29Å; F593-T595 PolarHBondContact O-N 2.82Å; T595-Y597 VanDerWaalsContact C-N 3.32Å; T595-H598 PolarHBondContact O-N 2.79Å; T595-L599 WeakPolarHBondContact O-CB 3.47Å; T595-L599 PolarHBondContact O-N 2.89Å; T595-F609 HydrophobicContact CG2-CD2 3.95Å; T595-F609 HydrophobicContact CG2-CE2 3.92Å; T595-L612 HydrophobicContact CG2-CB 3.74Å; T595-L612 HydrophobicContact CG2-CD1 4.29Å; T595-L616 HydrophobicContact CG2-CD1 4.21Å; T595-L616 WeakPolarHBondContact OG1-CD1 3.29Å
596	A	94.6	Very high	89.2	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-37.1	176.4	0	0	0	0	0	111.6	L592 F593 L599 A600 F609 L636 I637 I640	L592-A596 WeakPolarHBondContact O-CB 3.39Å; L592-A596 PolarHBondContact O-N 2.65Å; F593-A596 PolarHBondContact O-N 2.8Å; A596-L599 PolarHBondContact O-N 3.11Å; A596-A600 WeakPolarHBondContact O-CB 3.3Å; A596-A600 PolarHBondContact O-N 3.37Å; A596-F609 HydrophobicContact CB-CD2 4.42Å; A596-F609 HydrophobicContact CB-CE2 3.78Å; A596-F609 HydrophobicContact CB-CZ 4.43Å; A596-L636 HydrophobicContact CB-CB 3.94Å; A596-L636 HydrophobicContact CB-CD1 4.25Å; A596-I637 HydrophobicContact CB-CG1 4.12Å; A596-I640 HydrophobicContact CB-CD1 4.38Å
597	Y	96	Very high	89.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-51.4	173.1	-176.1	-94.9	0	0	0	112.1	F593 T595 L599 A600 L601 I640 I1117 G1121 P1122 I1124 F1127	F593-Y597 VanDerWaalsContact O-CB 3.24Å; F593-Y597 WeakPolarHBondContact O-CB 3.07Å; F593-Y597 PolarHBondContact O-N 3.32Å; T595-Y597 VanDerWaalsContact C-N 3.32Å; Y597-L599 VanDerWaalsContact C-N 3.34Å; Y597-L599 PolarHBondContact O-N 3.12Å; Y597-A600 PolarHBondContact O-N 2.79Å; Y597-L601 HydrophobicContact CE1-CB 4.47Å; Y597-L601 HydrophobicContact CE1-CD2 4.02Å; Y597-L601 VanDerWaalsContact O-CB 3.32Å; Y597-L601 WeakPolarHBondContact O-CB 3.49Å; Y597-L601 PolarHBondContact O-N 2.62Å; Y597-I640 HydrophobicContact CD2-CD1 4.48Å; Y597-I640 HydrophobicContact CD2-CG2 3.7Å; Y597-I640 HydrophobicContact CE2-CG2 4.19Å; Y597-I1117 HydrophobicContact CD2-CG2 3.91Å; Y597-I1117 HydrophobicContact CE2-CG2 3.63Å; Y597-G1121 WeakPolarHBondContact OH-CA 3.49Å; Y597-P1122 VanDerWaalsContact OH-CD 3.23Å; Y597-P1122 WeakPolarHBondContact OH-CD 3.43Å; Y597-P1122 VanDerWaalsContact OH-N 3.09Å; Y597-P1122 PolarHBondContact OH-O 3.37Å; Y597-I1124 HydrophobicContact CD1-CD1 3.73Å; Y597-I1124 HydrophobicContact CE1-CD1 4.34Å; Y597-F1127 HydrophobicContact CD1-CB 4.1Å; Y597-F1127 AromaticContact CD1-CD1 3.84Å; Y597-F1127 HydrophobicContact CD1-CD1 3.84Å; Y597-F1127 HydrophobicContact CD1-CD2 4.25Å; Y597-F1127 HydrophobicContact CD1-CE1 4.35Å; Y597-F1127 AromaticContact CD1-CG 3.78Å; Y597-F1127 HydrophobicContact CD1-CG 3.78Å; Y597-F1127 HydrophobicContact CD2-CD1 4.01Å; Y597-F1127 AromaticContact CD2-CD2 3.5Å; Y597-F1127 HydrophobicContact CD2-CD2 3.5Å; Y597-F1127 AromaticContact CD2-CE1 3.85Å; Y597-F1127 HydrophobicContact CD2-CE1 3.85Å; Y597-F1127 AromaticContact CD2-CE2 3.35Å; Y597-F1127 HydrophobicContact CD2-CE2 3.35Å; Y597-F1127 AromaticContact CD2-CG 3.84Å; Y597-F1127 HydrophobicContact CD2-CG 3.84Å; Y597-F1127 AromaticContact CD2-CZ 3.53Å; Y597-F1127 HydrophobicContact CD2-CZ 3.53Å; Y597-F1127 HydrophobicContact CE1-CB 3.85Å; Y597-F1127 HydrophobicContact CE1-CD1 4.39Å; Y597-F1127 HydrophobicContact CE1-CD2 4.14Å; Y597-F1127 AromaticContact CE1-CG 3.86Å; Y597-F1127 HydrophobicContact CE1-CG 3.86Å; Y597-F1127 AromaticContact CE2-CD2 3.39Å; Y597-F1127 HydrophobicContact CE2-CD2 3.39Å; Y597-F1127 AromaticContact CE2-CE2 3.58Å; Y597-F1127 HydrophobicContact CE2-CE2 3.58Å; Y597-F1127 AromaticContact CE2-CG 3.94Å; Y597-F1127 HydrophobicContact CE2-CG 3.94Å; Y597-F1127 HydrophobicContact CE2-CZ 4.24Å; Y597-F1127 AromaticContact CG-CD1 3.63Å; Y597-F1127 HydrophobicContact CG-CD1 3.63Å; Y597-F1127 AromaticContact CG-CD2 3.95Å; Y597-F1127 HydrophobicContact CG-CD2 3.95Å; Y597-F1127 AromaticContact CG-CE1 3.67Å; Y597-F1127 HydrophobicContact CG-CE1 3.67Å; Y597-F1127 HydrophobicContact CG-CE2 4.01Å; Y597-F1127 AromaticContact CG-CG 3.78Å; Y597-F1127 HydrophobicContact CG-CG 3.78Å; Y597-F1127 AromaticContact CG-CZ 3.87Å; Y597-F1127 HydrophobicContact CG-CZ 3.87Å; Y597-F1127 AromaticContact CZ-CD2 3.74Å; Y597-F1127 AromaticContact CZ-CG 3.96Å
598	H	94.1	Very high	90.3	Very high	67 Å²	67	31.6 Å²	31.6	31%	0.31	16%	0.157	S	C	.	.	H	α-helix	trans	-60.6	-43.1	177.6	176.2	51.9	0	0	0	111.9	N594 T595 A600 L601 E602 I1124	N594-H598 PolarHBondContact O-N 2.94Å; T595-H598 PolarHBondContact O-N 2.79Å; H598-A600 PolarHBondContact O-N 3.43Å; H598-L601 PolarHBondContact O-N 3.25Å; H598-E602 WeakPolarHBondContact CE1-CG 3.18Å; H598-E602 IonicContact CE1-OE1 3.34Å; H598-E602 WeakPolarHBondContact O-CB 3.42Å; H598-E602 WeakPolarHBondContact O-CG 3.37Å; H598-E602 PolarHBondContact O-N 2.96Å; H598-I1124 HydrophobicContact CB-CD1 4.35Å
599	L	92.6	Very high	90.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-47.2	175.7	-174.9	160.2	0	0	0	111.3	T595 A596 Y597 G603 R604 Y606 F609 I637	T595-L599 WeakPolarHBondContact O-CB 3.47Å; T595-L599 PolarHBondContact O-N 2.89Å; A596-L599 PolarHBondContact O-N 3.11Å; Y597-L599 VanDerWaalsContact C-N 3.34Å; Y597-L599 PolarHBondContact O-N 3.12Å; L599-G603 PolarHBondContact O-N 3.37Å; L599-R604 HydrophobicContact CD2-CB 4.33Å; L599-R604 WeakPolarHBondContact CD2-O 3.45Å; L599-R604 HydrophobicContact CG-CB 3.89Å; L599-R604 WeakPolarHBondContact O-CB 3.44Å; L599-R604 PolarHBondContact O-N 2.97Å; L599-Y606 HydrophobicContact CD2-CD1 4.05Å; L599-F609 HydrophobicContact CD1-CB 3.52Å; L599-F609 HydrophobicContact CD1-CD2 4.02Å; L599-F609 HydrophobicContact CD1-CG 4.24Å; L599-I637 HydrophobicContact CD2-CD1 4.17Å
600	A	92.6	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-43.1	177.7	0	0	0	0	0	113.5	A596 Y597 H598 E602 G603 I637 L1114 I1117	A596-A600 WeakPolarHBondContact O-CB 3.3Å; A596-A600 PolarHBondContact O-N 3.37Å; Y597-A600 PolarHBondContact O-N 2.79Å; H598-A600 PolarHBondContact O-N 3.43Å; A600-E602 VanDerWaalsContact C-N 3.34Å; A600-E602 PolarHBondContact O-N 2.95Å; A600-G603 PolarHBondContact O-N 3.02Å; A600-I637 HydrophobicContact CB-CD1 3.98Å; A600-I637 HydrophobicContact CB-CG1 4.1Å; A600-L1114 HydrophobicContact CB-CD2 3.64Å; A600-I1117 HydrophobicContact CB-CB 4.11Å; A600-I1117 HydrophobicContact CB-CD1 3.62Å; A600-I1117 HydrophobicContact CB-CG1 4.48Å; A600-I1117 HydrophobicContact CB-CG2 3.79Å
601	L	91.9	Very high	91.2	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-60.8	-41.4	179.5	-174	72.5	0	0	0	111.9	Y597 H598 G603 I1117	Y597-L601 HydrophobicContact CE1-CB 4.47Å; Y597-L601 HydrophobicContact CE1-CD2 4.02Å; Y597-L601 VanDerWaalsContact O-CB 3.32Å; Y597-L601 WeakPolarHBondContact O-CB 3.49Å; Y597-L601 PolarHBondContact O-N 2.62Å; H598-L601 PolarHBondContact O-N 3.25Å; L601-G603 VanDerWaalsContact C-N 3.26Å; L601-G603 PolarHBondContact O-N 3.45Å; L601-I1117 HydrophobicContact CB-CG2 4.29Å
602	E	89.2	Confident	91.2	Very high	74 Å²	74	39.2 Å²	39.2	35%	0.346	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-5.6	175.2	-64.6	-61.2	155.1	0	0	113.5	H598 A600 R604 R1097	H598-E602 WeakPolarHBondContact CE1-CG 3.18Å; H598-E602 IonicContact CE1-OE1 3.34Å; H598-E602 WeakPolarHBondContact O-CB 3.42Å; H598-E602 WeakPolarHBondContact O-CG 3.37Å; H598-E602 PolarHBondContact O-N 2.96Å; A600-E602 VanDerWaalsContact C-N 3.34Å; A600-E602 PolarHBondContact O-N 2.95Å; E602-R604 VanDerWaalsContact C-N 3.32Å; E602-R604 HydrophobicContact CB-CG 3.64Å; E602-R604 PolarHBondContact O-N 3.16Å; E602-R1097 WeakPolarHBondContact O-CD 3.22Å
603	G	87.3	Confident	91.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	37.6	-174.3	0	0	0	0	0	113.4	L599 A600 L601 N1101	L599-G603 PolarHBondContact O-N 3.37Å; A600-G603 PolarHBondContact O-N 3.02Å; L601-G603 VanDerWaalsContact C-N 3.26Å; L601-G603 PolarHBondContact O-N 3.45Å; G603-N1101 VanDerWaalsContact O-CB 3.3Å; G603-N1101 WeakPolarHBondContact O-CB 3.35Å; G603-N1101 PolarHBondContact O-ND2 3.35Å
604	R	88.4	Confident	91.1	Very high	121 Å²	121	42.4 Å²	42.4	46%	0.457	21%	0.205	S	C	.	.			trans	-81.8	150.3	-179.3	-65.3	-97.3	-170.7	-161.3	-3.4	111.2	L599 E602 H1102	L599-R604 HydrophobicContact CD2-CB 4.33Å; L599-R604 WeakPolarHBondContact CD2-O 3.45Å; L599-R604 HydrophobicContact CG-CB 3.89Å; L599-R604 WeakPolarHBondContact O-CB 3.44Å; L599-R604 PolarHBondContact O-N 2.97Å; E602-R604 VanDerWaalsContact C-N 3.32Å; E602-R604 HydrophobicContact CB-CG 3.64Å; E602-R604 PolarHBondContact O-N 3.16Å; R604-H1102 PolarHBondContact O-CE1 2.94Å; R604-H1102 PolarHBondContact O-NE2 3.24Å
605	P	87.3	Confident	91	Very high	23 Å²	23	44.4 Å²	44.4	15%	0.149	22%	0.215	C	C	.	.			trans	-61.7	145.7	174.4	-20.2	33.3	0	0	0	112.8	L607 D608 N1101	P605-L607 HydrophobicContact CB-CB 4.21Å; P605-L607 HydrophobicContact CB-CD1 3.98Å; P605-L607 HydrophobicContact CB-CG 4.29Å; P605-L607 PolarHBondContact O-N 3Å; P605-L607 VanDerWaalsContact O-N 3.09Å; P605-D608 WeakPolarHBondContact O-CB 3.33Å; P605-D608 PolarHBondContact O-N 3.45Å; P605-N1101 HydrophobicContact CG-CB 4.4Å
606	Y	88.3	Confident	90.8	Very high	6 Å²	6	45.8 Å²	45.8	2%	0.024	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26.5	174.9	-54	-49.2	0	0	0	113.3	L599 D608 F609 Q634 I637 L1106 L1114	L599-Y606 HydrophobicContact CD2-CD1 4.05Å; Y606-D608 PolarHBondContact O-N 2.91Å; Y606-F609 WeakPolarHBondContact O-CB 3.29Å; Y606-F609 PolarHBondContact O-N 2.84Å; Y606-Q634 HydrophobicContact CD1-CG 4.32Å; Y606-Q634 HydrophobicContact CD2-CG 3.79Å; Y606-Q634 HydrophobicContact CE1-CG 4.11Å; Y606-Q634 HydrophobicContact CE2-CG 3.53Å; Y606-Q634 HydrophobicContact CG-CG 4.17Å; Y606-I637 HydrophobicContact CD1-CD1 4.01Å; Y606-I637 HydrophobicContact CE1-CD1 3.65Å; Y606-L1106 HydrophobicContact CD2-CD2 4.44Å; Y606-L1106 HydrophobicContact CE2-CD2 3.47Å; Y606-L1106 VanDerWaalsContact CE2-CD2 3.47Å; Y606-L1114 HydrophobicContact CE1-CD1 4.48Å; Y606-L1114 HydrophobicContact CE1-CD2 4.23Å
607	L	87.8	Confident	90.5	Very high	106 Å²	106	51.3 Å²	51.3	56%	0.555	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-49.1	-37.4	172.3	-59.4	160.3	0	0	0	112.7	P605 F609 P611	P605-L607 HydrophobicContact CB-CB 4.21Å; P605-L607 HydrophobicContact CB-CD1 3.98Å; P605-L607 HydrophobicContact CB-CG 4.29Å; P605-L607 PolarHBondContact O-N 3Å; P605-L607 VanDerWaalsContact O-N 3.09Å; L607-F609 VanDerWaalsContact C-N 3.26Å; L607-F609 PolarHBondContact O-N 2.66Å; L607-P611 VanDerWaalsContact O-CD 3.25Å; L607-P611 WeakPolarHBondContact O-CD 3.08Å
608	D	90.1	Very high	90.3	Very high	56 Å²	56	59.5 Å²	59.5	30%	0.299	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-73.9	-16.8	-175.8	-67	-2.6	0	0	0	112.4	P605 Y606 R610 P611 L612	P605-D608 WeakPolarHBondContact O-CB 3.33Å; P605-D608 PolarHBondContact O-N 3.45Å; Y606-D608 PolarHBondContact O-N 2.91Å; D608-R610 PolarHBondContact O-N 2.99Å; D608-P611 WeakPolarHBondContact O-CD 3.23Å; D608-L612 HydrophobicContact CB-CD1 4.47Å; D608-L612 WeakPolarHBondContact O-CB 3.2Å; D608-L612 VanDerWaalsContact O-CG 3.28Å; D608-L612 WeakPolarHBondContact O-CG 3.02Å; D608-L612 PolarHBondContact O-N 2.78Å
609	F	91.8	Very high	90.2	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-44.2	-176	-173.6	-118.5	0	0	0	112.7	L592 T595 A596 L599 Y606 L607 L612 A613 Y627 C633 L636	L592-F609 HydrophobicContact CB-CZ 4.35Å; L592-F609 HydrophobicContact CD2-CE1 4.3Å; L592-F609 HydrophobicContact CD2-CE2 4.49Å; L592-F609 HydrophobicContact CD2-CZ 3.77Å; T595-F609 HydrophobicContact CG2-CD2 3.95Å; T595-F609 HydrophobicContact CG2-CE2 3.92Å; A596-F609 HydrophobicContact CB-CD2 4.42Å; A596-F609 HydrophobicContact CB-CE2 3.78Å; A596-F609 HydrophobicContact CB-CZ 4.43Å; L599-F609 HydrophobicContact CD1-CB 3.52Å; L599-F609 HydrophobicContact CD1-CD2 4.02Å; L599-F609 HydrophobicContact CD1-CG 4.24Å; Y606-F609 WeakPolarHBondContact O-CB 3.29Å; Y606-F609 PolarHBondContact O-N 2.84Å; L607-F609 VanDerWaalsContact C-N 3.26Å; L607-F609 PolarHBondContact O-N 2.66Å; F609-L612 PolarHBondContact O-N 3.29Å; F609-A613 WeakPolarHBondContact O-CB 3.47Å; F609-A613 PolarHBondContact O-N 3.28Å; F609-Y627 WeakPolarHBondContact CE1-O 3.22Å; F609-C633 HydrophobicContact CB-CB 4.07Å; F609-C633 HydrophobicContact CD1-CB 3.59Å; F609-C633 HydrophobicContact CD2-CB 4.21Å; F609-C633 VanDerWaalsContact CD2-SG 3.59Å; F609-C633 HydrophobicContact CE1-CB 3.96Å; F609-C633 HydrophobicContact CG-CB 3.7Å; F609-C633 VanDerWaalsContact CG-SG 3.57Å; F609-C633 HydrophobicContact CZ-CB 4.44Å; F609-L636 HydrophobicContact CE1-CD1 4.39Å; F609-L636 HydrophobicContact CE2-CD1 4.49Å; F609-L636 HydrophobicContact CZ-CD1 3.7Å
610	R	91.5	Very high	90	Very high	136 Å²	136	69 Å²	69	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-50.2	-178.9	177.6	174.6	173.1	163.9	1.5	112.2	D608 L612 A613 E614 M628	D608-R610 PolarHBondContact O-N 2.99Å; R610-L612 VanDerWaalsContact C-N 3.27Å; R610-L612 PolarHBondContact O-N 3.2Å; R610-A613 PolarHBondContact O-N 3.14Å; R610-E614 HydrophobicContact CG-CG 4.34Å; R610-E614 IonicContact CZ-OE1 2.78Å; R610-E614 IonicContact NE-OE1 3.83Å; R610-E614 PolarHBondContact NE-OE1 3.27Å; R610-E614 IonicContact NH2-OE1 3.83Å; R610-E614 PolarHBondContact NH2-OE1 3.11Å; R610-E614 WeakPolarHBondContact O-CG 3.33Å; R610-E614 PolarHBondContact O-N 3.32Å; R610-M628 WeakPolarHBondContact CB-O 3.19Å; R610-M628 HydrophobicContact CG-CE 4.31Å
611	P	92.6	Very high	89.7	Confident	78 Å²	78	72.7 Å²	72.7	51%	0.506	35%	0.35	S	S	.	.	H	α-helix	trans	-52.6	-40.1	170.3	-29.8	35.2	0	0	0	114.2	L607 D608 L615	L607-P611 VanDerWaalsContact O-CD 3.25Å; L607-P611 WeakPolarHBondContact O-CD 3.08Å; D608-P611 WeakPolarHBondContact O-CD 3.23Å; P611-L615 WeakPolarHBondContact O-CB 3.46Å; P611-L615 PolarHBondContact O-N 3.31Å
612	L	91.2	Very high	89.2	Confident	52 Å²	52	76.8 Å²	76.8	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-65.9	-45.6	176.2	-71.2	168.5	0	0	0	111.9	T595 D608 F609 R610 L615 L616	T595-L612 HydrophobicContact CG2-CB 3.74Å; T595-L612 HydrophobicContact CG2-CD1 4.29Å; D608-L612 HydrophobicContact CB-CD1 4.47Å; D608-L612 WeakPolarHBondContact O-CB 3.2Å; D608-L612 VanDerWaalsContact O-CG 3.28Å; D608-L612 WeakPolarHBondContact O-CG 3.02Å; D608-L612 PolarHBondContact O-N 2.78Å; F609-L612 PolarHBondContact O-N 3.29Å; R610-L612 VanDerWaalsContact C-N 3.27Å; R610-L612 PolarHBondContact O-N 3.2Å; L612-L615 WeakPolarHBondContact O-CB 3.34Å; L612-L615 PolarHBondContact O-N 2.91Å; L612-L616 WeakPolarHBondContact O-CG 3.2Å; L612-L616 PolarHBondContact O-N 2.73Å
613	A	89	Confident	88.8	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64.7	-38	176.3	0	0	0	0	0	112.6	L592 F609 R610 L616 R617 V623 M628	L592-A613 HydrophobicContact CD2-CB 4.15Å; F609-A613 WeakPolarHBondContact O-CB 3.47Å; F609-A613 PolarHBondContact O-N 3.28Å; R610-A613 PolarHBondContact O-N 3.14Å; A613-L616 PolarHBondContact O-N 3.01Å; A613-R617 PolarHBondContact O-N 2.96Å; A613-R617 VanDerWaalsContact O-N 3.07Å; A613-V623 HydrophobicContact CB-CG1 4.11Å; A613-M628 HydrophobicContact CB-CE 3.76Å; A613-M628 HydrophobicContact CB-CG 3.88Å; A613-M628 HydrophobicContact CB-SD 4.04Å
614	E	90.1	Very high	88.3	Confident	67 Å²	67	75 Å²	75	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-34.4	173.3	-69.6	-177.4	-178.7	0	0	112.3	R610 K618 M628	R610-E614 HydrophobicContact CG-CG 4.34Å; R610-E614 IonicContact CZ-OE1 2.78Å; R610-E614 IonicContact NE-OE1 3.83Å; R610-E614 PolarHBondContact NE-OE1 3.27Å; R610-E614 IonicContact NH2-OE1 3.83Å; R610-E614 PolarHBondContact NH2-OE1 3.11Å; R610-E614 WeakPolarHBondContact O-CG 3.33Å; R610-E614 PolarHBondContact O-N 3.32Å; E614-K618 PolarHBondContact O-N 3.32Å; E614-K618 VanDerWaalsContact O-N 3.09Å; E614-M628 HydrophobicContact CG-CE 3.48Å; E614-M628 VanDerWaalsContact CG-CE 3.48Å
615	L	91.4	Very high	87.6	Confident	95 Å²	95	74 Å²	74	50%	0.497	36%	0.364	S	S	.	.	H	α-helix	trans	-66.2	-44.1	171.7	175.3	62.5	0	0	0	112	P611 L612 R617 K618 C619	P611-L615 WeakPolarHBondContact O-CB 3.46Å; P611-L615 PolarHBondContact O-N 3.31Å; L612-L615 WeakPolarHBondContact O-CB 3.34Å; L612-L615 PolarHBondContact O-N 2.91Å; L615-R617 VanDerWaalsContact C-N 3.3Å; L615-R617 PolarHBondContact O-N 3.3Å; L615-K618 CarbonylContact O-C 3.59Å; L615-K618 WeakPolarHBondContact O-CA 3.38Å; L615-K618 WeakPolarHBondContact O-CB 3.27Å; L615-K618 PolarHBondContact O-N 2.81Å; L615-C619 PolarHBondContact O-N 3Å; L615-C619 PolarHBondContact O-SG 3Å
616	L	89.9	Confident	87.1	Confident	40 Å²	40	79.6 Å²	79.6	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-62	-39.3	177.2	-67.9	167.2	0	0	0	111.6	L591 T595 L612 A613 K618 C619 L621 V623	L591-L616 HydrophobicContact CD1-CD1 4.03Å; L591-L616 HydrophobicContact CD1-CD2 4.34Å; L591-L616 HydrophobicContact CD2-CB 4.5Å; L591-L616 HydrophobicContact CG-CD1 4.16Å; T595-L616 HydrophobicContact CG2-CD1 4.21Å; T595-L616 WeakPolarHBondContact OG1-CD1 3.29Å; L612-L616 WeakPolarHBondContact O-CG 3.2Å; L612-L616 PolarHBondContact O-N 2.73Å; A613-L616 PolarHBondContact O-N 3.01Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 2.99Å; L616-C619 CarbonylContact O-C 3.53Å; L616-C619 WeakPolarHBondContact O-CA 3.44Å; L616-C619 WeakPolarHBondContact O-CB 3.39Å; L616-C619 PolarHBondContact O-N 3.44Å; L616-C619 VanDerWaalsContact O-N 3.1Å; L616-L621 HydrophobicContact CB-CD1 4.24Å; L616-L621 HydrophobicContact CD2-CD1 3.75Å; L616-L621 WeakPolarHBondContact O-CB 3.29Å; L616-L621 PolarHBondContact O-N 2.82Å; L616-V623 HydrophobicContact CB-CG2 3.92Å
617	R	87.7	Confident	86.7	Confident	115 Å²	115	81.7 Å²	81.7	43%	0.434	40%	0.396	S	S	.	.	H	α-helix	trans	-63.1	-33.7	171.9	-170	178.2	64.5	-167.7	-2.6	112.6	A613 L615 C619 E620 V623 D625	A613-R617 PolarHBondContact O-N 2.96Å; A613-R617 VanDerWaalsContact O-N 3.07Å; L615-R617 VanDerWaalsContact C-N 3.3Å; L615-R617 PolarHBondContact O-N 3.3Å; R617-C619 VanDerWaalsContact C-N 3.34Å; R617-E620 PolarHBondContact O-N 3.28Å; R617-V623 HydrophobicContact CB-CB 4.39Å; R617-V623 HydrophobicContact CB-CG2 4.12Å; R617-D625 IonicContact CZ-OD1 3.49Å; R617-D625 IonicContact NH1-OD1 3.28Å; R617-D625 PolarHBondContact NH1-OD1 3.4Å
618	K	91.2	Very high	86.4	Confident	173 Å²	173	77.1 Å²	77.1	75%	0.752	37%	0.372	S	S	*	.	H	α-helix	trans	-69.7	-29.4	172.2	-174	-178.8	176.7	-176.5	0	112.5	E614 L615 L616 E620	E614-K618 PolarHBondContact O-N 3.32Å; E614-K618 VanDerWaalsContact O-N 3.09Å; L615-K618 CarbonylContact O-C 3.59Å; L615-K618 WeakPolarHBondContact O-CA 3.38Å; L615-K618 WeakPolarHBondContact O-CB 3.27Å; L615-K618 PolarHBondContact O-N 2.81Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 2.99Å; K618-E620 PolarHBondContact O-N 2.86Å
619	C	92	Very high	86.2	Confident	79 Å²	79	78.5 Å²	78.5	53%	0.534	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	26.1	171.9	-61.3	0	0	0	0	113.3	L615 L616 R617 L621	L615-C619 PolarHBondContact O-N 3Å; L615-C619 PolarHBondContact O-SG 3Å; L616-C619 CarbonylContact O-C 3.53Å; L616-C619 WeakPolarHBondContact O-CA 3.44Å; L616-C619 WeakPolarHBondContact O-CB 3.39Å; L616-C619 PolarHBondContact O-N 3.44Å; L616-C619 VanDerWaalsContact O-N 3.1Å; R617-C619 VanDerWaalsContact C-N 3.34Å; C619-L621 PolarHBondContact O-N 3.14Å; C619-L621 VanDerWaalsContact O-N 3.09Å
620	E	88.3	Confident	86	Confident	186 Å²	186	82.9 Å²	82.9	87%	0.869	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	13	178.7	-54.9	-174.4	177.7	0	0	115.7	R617 K618	R617-E620 PolarHBondContact O-N 3.28Å; K618-E620 PolarHBondContact O-N 2.86Å
621	L	86.6	Confident	85.7	Confident	78 Å²	78	78.2 Å²	78.2	41%	0.408	39%	0.394	S	S	.	.			trans	-82.3	142	177.5	-56.3	174.3	0	0	0	111.7	L591 L616 C619 V623	L591-L621 HydrophobicContact CD1-CD1 4.07Å; L591-L621 HydrophobicContact CD2-CB 3.64Å; L591-L621 HydrophobicContact CD2-CD1 4.08Å; L591-L621 HydrophobicContact CD2-CG 4.46Å; L616-L621 HydrophobicContact CB-CD1 4.24Å; L616-L621 HydrophobicContact CD2-CD1 3.75Å; L616-L621 WeakPolarHBondContact O-CB 3.29Å; L616-L621 PolarHBondContact O-N 2.82Å; C619-L621 PolarHBondContact O-N 3.14Å; C619-L621 VanDerWaalsContact O-N 3.09Å; L621-V623 PolarHBondContact O-N 3.32Å; L621-V623 VanDerWaalsContact O-N 3.09Å
622	K	81.4	Confident	85.3	Confident	127 Å²	127	76.2 Å²	76.2	55%	0.552	38%	0.379	S	S	*	.			trans	-77.3	95.5	178.3	-64.8	-166.8	-175.8	-167.7	0	111.2	E584 N588	E584-K622 WeakPolarHBondContact OE1-CD 3.45Å; E584-K622 IonicContact OE1-NZ 2.78Å; E584-K622 PolarHBondContact OE1-NZ 2.94Å; N588-K622 VanDerWaalsContact CB-O 3.29Å; N588-K622 WeakPolarHBondContact CB-O 3.31Å; N588-K622 VanDerWaalsContact CG-O 3.26Å; N588-K622 WeakPolarHBondContact OD1-CB 3.38Å; N588-K622 PolarHBondContact OD1-O 2.96Å
623	V	80.5	Confident	85.3	Confident	16 Å²	16	73.7 Å²	73.7	10%	0.097	37%	0.366	C	S	.	.			trans	-93.6	148.1	174.4	-177.1	0	0	0	0	110	L591 L592 A613 L616 R617 L621 M628	L591-V623 HydrophobicContact CD2-CG2 3.88Å; L592-V623 HydrophobicContact CD2-CG1 3.91Å; L592-V623 HydrophobicContact CG-CG1 4.41Å; A613-V623 HydrophobicContact CB-CG1 4.11Å; L616-V623 HydrophobicContact CB-CG2 3.92Å; R617-V623 HydrophobicContact CB-CB 4.39Å; R617-V623 HydrophobicContact CB-CG2 4.12Å; L621-V623 PolarHBondContact O-N 3.32Å; L621-V623 VanDerWaalsContact O-N 3.09Å; V623-M628 HydrophobicContact CG1-CG 4.18Å; V623-M628 HydrophobicContact CG1-SD 3.64Å
624	V	77.3	Confident	85.4	Confident	20 Å²	20	75.9 Å²	75.9	12%	0.121	38%	0.376	C	S	.	.			trans	-94.4	103.9	176.9	-170.1	0	0	0	0	110.1	M585 N588 M589 L592 Q626 Y627	M585-V624 HydrophobicContact SD-CG2 4.02Å; N588-V624 HydrophobicContact CB-CG2 3.59Å; M589-V624 HydrophobicContact SD-CG2 4.22Å; L592-V624 HydrophobicContact CD1-CB 4.03Å; L592-V624 HydrophobicContact CD1-CG2 4.46Å; V624-Q626 HydrophobicContact CG1-CB 4.25Å; V624-Q626 PolarHBondContact O-N 3.13Å; V624-Y627 HydrophobicContact CB-CD2 4.19Å; V624-Y627 HydrophobicContact CG1-CD2 3.72Å; V624-Y627 HydrophobicContact CG1-CE2 4.11Å; V624-Y627 PolarHBondContact O-N 3.35Å
625	D	74.4	Confident	85.4	Confident	99 Å²	99	75.3 Å²	75.3	53%	0.529	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-57.1	-24.5	-175.8	-59.2	-69.1	0	0	0	114.1	R617 Y627	R617-D625 IonicContact CZ-OD1 3.49Å; R617-D625 IonicContact NH1-OD1 3.28Å; R617-D625 PolarHBondContact NH1-OD1 3.4Å; D625-Y627 VanDerWaalsContact C-N 3.3Å; D625-Y627 PolarHBondContact O-N 2.73Å
626	Q	76.9	Confident	85.4	Confident	141 Å²	141	70.9 Å²	70.9	66%	0.659	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.8	-22.4	-178.4	-172.4	168.4	10.9	0	0	114.2	V624	V624-Q626 HydrophobicContact CG1-CB 4.25Å; V624-Q626 PolarHBondContact O-N 3.13Å
627	Y	79.2	Confident	85.6	Confident	50 Å²	50	69 Å²	69	20%	0.196	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-118.9	33.9	-171.9	-58.9	-62.6	0	0	0	112.9	M589 F609 V624 D625 W1136	M589-Y627 HydrophobicContact CE-CD2 4.07Å; M589-Y627 HydrophobicContact CE-CG 4.4Å; M589-Y627 HydrophobicContact SD-CD2 3.46Å; M589-Y627 WeakPolarHBondContact SD-CD2 3.34Å; M589-Y627 HydrophobicContact SD-CE2 3.93Å; M589-Y627 HydrophobicContact SD-CG 4.28Å; F609-Y627 WeakPolarHBondContact CE1-O 3.22Å; V624-Y627 HydrophobicContact CB-CD2 4.19Å; V624-Y627 HydrophobicContact CG1-CD2 3.72Å; V624-Y627 HydrophobicContact CG1-CE2 4.11Å; V624-Y627 PolarHBondContact O-N 3.35Å; D625-Y627 VanDerWaalsContact C-N 3.3Å; D625-Y627 PolarHBondContact O-N 2.73Å; Y627-W1136 HydrophobicContact CD1-CZ2 4.34Å; Y627-W1136 HydrophobicContact CE1-CH2 4.4Å; Y627-W1136 AromaticContact CE1-CZ2 3.87Å; Y627-W1136 HydrophobicContact CE1-CZ2 3.87Å; Y627-W1136 AromaticContact CE2-CH2 3.84Å; Y627-W1136 HydrophobicContact CE2-CH2 3.84Å; Y627-W1136 HydrophobicContact CE2-CZ2 4.06Å; Y627-W1136 AromaticContact CZ-CH2 3.76Å; Y627-W1136 AromaticContact CZ-CZ2 3.71Å
628	M	82.3	Confident	86	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.049	33%	0.333	C	S	.	.			trans	-101	11.2	-176.1	-73.2	175.6	49.5	0	0	114.2	L592 R610 A613 E614 V623	L592-M628 HydrophobicContact CD2-CG 4.38Å; R610-M628 WeakPolarHBondContact CB-O 3.19Å; R610-M628 HydrophobicContact CG-CE 4.31Å; A613-M628 HydrophobicContact CB-CE 3.76Å; A613-M628 HydrophobicContact CB-CG 3.88Å; A613-M628 HydrophobicContact CB-SD 4.04Å; E614-M628 HydrophobicContact CG-CE 3.48Å; E614-M628 VanDerWaalsContact CG-CE 3.48Å; V623-M628 HydrophobicContact CG1-CG 4.18Å; V623-M628 HydrophobicContact CG1-SD 3.64Å
629	N	86	Confident	86	Confident	86 Å²	86	58 Å²	58	46%	0.46	30%	0.298	S	S	.	.	S	Bend	trans	-91.5	161.6	-177.6	-47.5	-75.4	0	0	0	112.1	G631 D632 C633	N629-G631 VanDerWaalsContact C-N 3.28Å; N629-G631 PolarHBondContact O-N 3.08Å; N629-D632 VanDerWaalsContact CB-OD2 3.3Å; N629-D632 WeakPolarHBondContact CB-OD2 3.18Å; N629-D632 PolarHBondContact N-OD2 3.45Å; N629-D632 PolarHBondContact ND2-OD2 3.3Å; N629-D632 WeakPolarHBondContact O-CB 3.4Å; N629-D632 PolarHBondContact O-N 3.16Å; N629-D632 VanDerWaalsContact O-N 3.1Å; N629-C633 PolarHBondContact O-N 2.92Å
630	E	85.9	Confident	86.1	Confident	93 Å²	93	54.3 Å²	54.3	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-37.4	177.2	-67	175.8	-122.6	0	0	112.9	C633 Q634	E630-C633 WeakPolarHBondContact O-CB 3.47Å; E630-C633 PolarHBondContact O-N 3Å; E630-Q634 WeakPolarHBondContact O-CG 3.36Å; E630-Q634 PolarHBondContact O-N 3.39Å
631	G	85.6	Confident	86.5	Confident	37 Å²	37	45.5 Å²	45.5	38%	0.381	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-35.9	175.1	0	0	0	0	0	113.2	N629 Q634 I635	N629-G631 VanDerWaalsContact C-N 3.28Å; N629-G631 PolarHBondContact O-N 3.08Å; G631-Q634 PolarHBondContact O-N 2.92Å; G631-I635 WeakPolarHBondContact O-CG1 3.26Å; G631-I635 PolarHBondContact O-N 3.08Å; G631-I635 VanDerWaalsContact O-N 3.13Å
632	D	85.1	Confident	86.7	Confident	36 Å²	36	45.9 Å²	45.9	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-42.7	172.8	-61.7	-63.6	0	0	0	110.4	N629 Q634 I635 L636	N629-D632 VanDerWaalsContact CB-OD2 3.3Å; N629-D632 WeakPolarHBondContact CB-OD2 3.18Å; N629-D632 PolarHBondContact N-OD2 3.45Å; N629-D632 PolarHBondContact ND2-OD2 3.3Å; N629-D632 WeakPolarHBondContact O-CB 3.4Å; N629-D632 PolarHBondContact O-N 3.16Å; N629-D632 VanDerWaalsContact O-N 3.1Å; D632-Q634 VanDerWaalsContact C-N 3.3Å; D632-Q634 PolarHBondContact O-N 3.21Å; D632-I635 PolarHBondContact O-N 3.39Å; D632-I635 VanDerWaalsContact O-N 3.12Å; D632-L636 VanDerWaalsContact O-CG 3.32Å; D632-L636 WeakPolarHBondContact O-CG 3.47Å; D632-L636 PolarHBondContact O-N 2.91Å
633	C	90.5	Very high	87.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.2	-43.8	175	-170.1	0	0	0	0	112.1	F609 N629 E630 L636 I637	F609-C633 HydrophobicContact CB-CB 4.07Å; F609-C633 HydrophobicContact CD1-CB 3.59Å; F609-C633 HydrophobicContact CD2-CB 4.21Å; F609-C633 VanDerWaalsContact CD2-SG 3.59Å; F609-C633 HydrophobicContact CE1-CB 3.96Å; F609-C633 HydrophobicContact CG-CB 3.7Å; F609-C633 VanDerWaalsContact CG-SG 3.57Å; F609-C633 HydrophobicContact CZ-CB 4.44Å; N629-C633 PolarHBondContact O-N 2.92Å; E630-C633 WeakPolarHBondContact O-CB 3.47Å; E630-C633 PolarHBondContact O-N 3Å; C633-L636 PolarHBondContact O-N 2.72Å; C633-I637 WeakPolarHBondContact O-CB 3.43Å; C633-I637 WeakPolarHBondContact O-CG1 3.36Å; C633-I637 PolarHBondContact O-N 3.27Å
634	Q	91	Very high	87.7	Confident	45 Å²	45	40.1 Å²	40.1	21%	0.21	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-43.8	175.5	-72.6	168.7	34.7	0	0	112	Y606 E630 G631 D632 I637 H638	Y606-Q634 HydrophobicContact CD1-CG 4.32Å; Y606-Q634 HydrophobicContact CD2-CG 3.79Å; Y606-Q634 HydrophobicContact CE1-CG 4.11Å; Y606-Q634 HydrophobicContact CE2-CG 3.53Å; Y606-Q634 HydrophobicContact CG-CG 4.17Å; E630-Q634 WeakPolarHBondContact O-CG 3.36Å; E630-Q634 PolarHBondContact O-N 3.39Å; G631-Q634 PolarHBondContact O-N 2.92Å; D632-Q634 VanDerWaalsContact C-N 3.3Å; D632-Q634 PolarHBondContact O-N 3.21Å; Q634-I637 PolarHBondContact O-N 3.47Å; Q634-H638 WeakPolarHBondContact O-CB 3.39Å; Q634-H638 PolarHBondContact O-N 2.87Å
635	I	90.1	Very high	88.4	Confident	55 Å²	55	41 Å²	41	28%	0.282	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-45.4	176.8	-68.7	164.2	0	0	0	110.9	G631 D632 I637 H638 H639	G631-I635 WeakPolarHBondContact O-CG1 3.26Å; G631-I635 PolarHBondContact O-N 3.08Å; G631-I635 VanDerWaalsContact O-N 3.13Å; D632-I635 PolarHBondContact O-N 3.39Å; D632-I635 VanDerWaalsContact O-N 3.12Å; I635-I637 PolarHBondContact O-N 3.4Å; I635-H638 PolarHBondContact O-N 2.99Å; I635-H639 PolarHBondContact O-CD2 3.09Å; I635-H639 PolarHBondContact O-N 2.82Å; I635-H639 VanDerWaalsContact O-N 3.1Å
636	L	91.3	Very high	89.1	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-46.6	176.9	-64.8	173.4	0	0	0	111.1	M589 L592 F593 A596 F609 D632 C633 H638 H639 I640	M589-L636 HydrophobicContact CE-CD2 3.83Å; L592-L636 HydrophobicContact CB-CD1 4.1Å; F593-L636 HydrophobicContact CD1-CB 4.46Å; F593-L636 HydrophobicContact CD1-CD2 4.24Å; F593-L636 HydrophobicContact CD2-CD2 3.79Å; F593-L636 HydrophobicContact CE1-CB 4.33Å; F593-L636 HydrophobicContact CE1-CD2 3.89Å; F593-L636 HydrophobicContact CE2-CD2 3.4Å; F593-L636 VanDerWaalsContact CE2-CD2 3.4Å; F593-L636 HydrophobicContact CG-CD2 4.19Å; F593-L636 HydrophobicContact CZ-CD2 3.46Å; F593-L636 VanDerWaalsContact CZ-CD2 3.46Å; A596-L636 HydrophobicContact CB-CB 3.94Å; A596-L636 HydrophobicContact CB-CD1 4.25Å; F609-L636 HydrophobicContact CE1-CD1 4.39Å; F609-L636 HydrophobicContact CE2-CD1 4.49Å; F609-L636 HydrophobicContact CZ-CD1 3.7Å; D632-L636 VanDerWaalsContact O-CG 3.32Å; D632-L636 WeakPolarHBondContact O-CG 3.47Å; D632-L636 PolarHBondContact O-N 2.91Å; C633-L636 PolarHBondContact O-N 2.72Å; L636-H638 VanDerWaalsContact C-N 3.33Å; L636-H638 PolarHBondContact O-N 2.94Å; L636-H639 PolarHBondContact O-N 3.35Å; L636-I640 VanDerWaalsContact O-CG1 3.25Å; L636-I640 WeakPolarHBondContact O-CG1 3.08Å; L636-I640 PolarHBondContact O-N 2.9Å
637	I	95.1	Very high	89.7	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-40.6	176.6	-77.2	168.5	0	0	0	111.8	A596 L599 A600 Y606 C633 Q634 I635 I640 A641 D1113 L1114 I1117	A596-I637 HydrophobicContact CB-CG1 4.12Å; L599-I637 HydrophobicContact CD2-CD1 4.17Å; A600-I637 HydrophobicContact CB-CD1 3.98Å; A600-I637 HydrophobicContact CB-CG1 4.1Å; Y606-I637 HydrophobicContact CD1-CD1 4.01Å; Y606-I637 HydrophobicContact CE1-CD1 3.65Å; C633-I637 WeakPolarHBondContact O-CB 3.43Å; C633-I637 WeakPolarHBondContact O-CG1 3.36Å; C633-I637 PolarHBondContact O-N 3.27Å; Q634-I637 PolarHBondContact O-N 3.47Å; I635-I637 PolarHBondContact O-N 3.4Å; I637-I640 PolarHBondContact O-N 3.36Å; I637-A641 WeakPolarHBondContact O-CB 3.38Å; I637-A641 PolarHBondContact O-N 3.14Å; I637-D1113 HydrophobicContact CG2-CB 4.23Å; I637-L1114 HydrophobicContact CD1-CD2 4.24Å; I637-L1114 HydrophobicContact CG2-CD2 4.12Å; I637-I1117 HydrophobicContact CB-CD1 4.47Å; I637-I1117 HydrophobicContact CG1-CD1 4.49Å; I637-I1117 HydrophobicContact CG2-CD1 3.92Å
638	H	94.6	Very high	90.2	Very high	54 Å²	54	32.5 Å²	32.5	25%	0.25	16%	0.164	C	C	.	.	H	α-helix	trans	-61.6	-47.3	175.7	-175.7	77	0	0	0	112.3	Q634 I635 L636 I640 A641 R642 E1109 D1113	Q634-H638 WeakPolarHBondContact O-CB 3.39Å; Q634-H638 PolarHBondContact O-N 2.87Å; I635-H638 PolarHBondContact O-N 2.99Å; L636-H638 VanDerWaalsContact C-N 3.33Å; L636-H638 PolarHBondContact O-N 2.94Å; H638-I640 VanDerWaalsContact C-N 3.32Å; H638-I640 PolarHBondContact O-N 3.39Å; H638-A641 PolarHBondContact O-N 2.93Å; H638-R642 WeakPolarHBondContact O-CB 3.31Å; H638-R642 PolarHBondContact O-N 3.08Å; H638-E1109 IonicContact CE1-OE1 2.71Å; H638-E1109 PolarHBondContact CE1-OE1 3.48Å; H638-D1113 IonicContact CE1-OD2 3.32Å; H638-D1113 IonicContact CG-OD2 3.14Å; H638-D1113 IonicContact ND1-OD1 2.68Å; H638-D1113 IonicContact ND1-OD2 2.68Å; H638-D1113 PolarHBondContact ND1-OD2 3.47Å
639	H	91.6	Very high	90.5	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-32.5	177.1	-71.9	-79	0	0	0	112.9	F593 I635 L636 A643 A1132 S1135 W1136 E1139	F593-H639 HydrophobicContact CE1-CB 4.18Å; F593-H639 HydrophobicContact CZ-CB 4.46Å; I635-H639 PolarHBondContact O-CD2 3.09Å; I635-H639 PolarHBondContact O-N 2.82Å; I635-H639 VanDerWaalsContact O-N 3.1Å; L636-H639 PolarHBondContact O-N 3.35Å; H639-A643 WeakPolarHBondContact O-CB 3.27Å; H639-A643 PolarHBondContact O-N 2.89Å; H639-A1132 HydrophobicContact CB-CB 4.4Å; H639-A1132 WeakPolarHBondContact O-CB 3.41Å; H639-S1135 PolarHBondContact ND1-OG 3.43Å; H639-S1135 VanDerWaalsContact ND1-OG 3.07Å; H639-W1136 AromaticContact CD2-CD1 3.56Å; H639-W1136 AromaticContact NE2-CD1 3.61Å; H639-E1139 IonicContact CE1-OE2 3.71Å
640	I	95	Very high	90.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-55.8	172.3	-67	165.7	0	0	0	110.3	F593 A596 Y597 L636 I637 H638 R642 A643 L644 I1117 F1127 A1132	F593-I640 HydrophobicContact CD1-CD1 3.89Å; F593-I640 HydrophobicContact CD1-CG1 3.63Å; F593-I640 HydrophobicContact CE1-CG1 4.03Å; A596-I640 HydrophobicContact CB-CD1 4.38Å; Y597-I640 HydrophobicContact CD2-CD1 4.48Å; Y597-I640 HydrophobicContact CD2-CG2 3.7Å; Y597-I640 HydrophobicContact CE2-CG2 4.19Å; L636-I640 VanDerWaalsContact O-CG1 3.25Å; L636-I640 WeakPolarHBondContact O-CG1 3.08Å; L636-I640 PolarHBondContact O-N 2.9Å; I637-I640 PolarHBondContact O-N 3.36Å; H638-I640 VanDerWaalsContact C-N 3.32Å; H638-I640 PolarHBondContact O-N 3.39Å; I640-R642 VanDerWaalsContact C-N 3.26Å; I640-R642 PolarHBondContact O-N 3.5Å; I640-A643 PolarHBondContact O-N 2.98Å; I640-A643 VanDerWaalsContact O-N 3.12Å; I640-L644 HydrophobicContact CG2-CD1 4.24Å; I640-L644 WeakPolarHBondContact O-CG 3.4Å; I640-L644 PolarHBondContact O-N 3.22Å; I640-I1117 HydrophobicContact CB-CD1 3.99Å; I640-I1117 HydrophobicContact CG2-CD1 3.56Å; I640-I1117 HydrophobicContact CG2-CG1 3.67Å; I640-F1127 HydrophobicContact CD1-CZ 4.36Å; I640-F1127 HydrophobicContact CG1-CZ 4.17Å; I640-F1127 HydrophobicContact CG2-CE2 4.13Å; I640-F1127 HydrophobicContact CG2-CZ 4.2Å; I640-A1132 HydrophobicContact CB-CB 4.48Å; I640-A1132 HydrophobicContact CG1-CB 4.01Å
641	A	95.3	Very high	90.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.9	-37.2	-178.2	0	0	0	0	0	111.6	I637 H638 L644 R645 D1113 T1116 I1117	I637-A641 WeakPolarHBondContact O-CB 3.38Å; I637-A641 PolarHBondContact O-N 3.14Å; H638-A641 PolarHBondContact O-N 2.93Å; A641-L644 PolarHBondContact O-N 2.91Å; A641-R645 WeakPolarHBondContact O-CG 3.45Å; A641-R645 PolarHBondContact O-N 3.25Å; A641-D1113 HydrophobicContact CB-CB 3.68Å; A641-D1113 VanDerWaalsContact CB-OD1 3.31Å; A641-D1113 WeakPolarHBondContact CB-OD1 3.3Å; A641-T1116 HydrophobicContact CB-CG2 4.25Å; A641-I1117 HydrophobicContact CB-CD1 4.39Å; A641-I1117 HydrophobicContact CB-CG1 4.29Å
642	R	91.6	Very high	90.8	Very high	86 Å²	86	29.9 Å²	29.9	33%	0.325	14%	0.138	S	C	.	.	H	α-helix	trans	-59.4	-49.3	170.9	179.3	-179.9	173.9	134.8	14	112.3	H638 I640 L644 R645 E646	H638-R642 WeakPolarHBondContact O-CB 3.31Å; H638-R642 PolarHBondContact O-N 3.08Å; I640-R642 VanDerWaalsContact C-N 3.26Å; I640-R642 PolarHBondContact O-N 3.5Å; R642-L644 VanDerWaalsContact C-N 3.33Å; R642-L644 PolarHBondContact O-N 2.92Å; R642-R645 PolarHBondContact O-N 2.87Å; R642-R645 VanDerWaalsContact O-N 3.16Å; R642-E646 HydrophobicContact CG-CG 4.5Å; R642-E646 IonicContact CZ-OE1 3.56Å; R642-E646 VanDerWaalsContact CZ-OE1 3.28Å; R642-E646 IonicContact NE-OE1 2.68Å; R642-E646 PolarHBondContact NE-OE1 2.89Å; R642-E646 IonicContact NH2-OE1 2.98Å; R642-E646 PolarHBondContact NH2-OE1 2.85Å; R642-E646 WeakPolarHBondContact O-CG 3.22Å; R642-E646 PolarHBondContact O-N 2.87Å
643	A	90.6	Very high	90.7	Very high	7 Å²	7	33.7 Å²	33.7	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-42.7	179.2	0	0	0	0	0	111.6	H639 I640 R645 E646 D647 R1131 A1132	H639-A643 WeakPolarHBondContact O-CB 3.27Å; H639-A643 PolarHBondContact O-N 2.89Å; I640-A643 PolarHBondContact O-N 2.98Å; I640-A643 VanDerWaalsContact O-N 3.12Å; A643-R645 VanDerWaalsContact C-N 3.33Å; A643-R645 PolarHBondContact O-N 2.99Å; A643-E646 PolarHBondContact O-N 2.98Å; A643-D647 PolarHBondContact O-N 3.16Å; A643-R1131 HydrophobicContact CB-CB 3.96Å; A643-A1132 HydrophobicContact CB-CB 4.11Å
644	L	93.3	Very high	90.5	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-36.7	174.8	-67.5	173.8	0	0	0	112.7	I640 A641 R642 L648 T1116 I1117	I640-L644 HydrophobicContact CG2-CD1 4.24Å; I640-L644 WeakPolarHBondContact O-CG 3.4Å; I640-L644 PolarHBondContact O-N 3.22Å; A641-L644 PolarHBondContact O-N 2.91Å; R642-L644 VanDerWaalsContact C-N 3.33Å; R642-L644 PolarHBondContact O-N 2.92Å; L644-L648 WeakPolarHBondContact O-CB 3.4Å; L644-L648 PolarHBondContact O-N 3.27Å; L644-T1116 HydrophobicContact CB-CG2 3.87Å; L644-T1116 HydrophobicContact CD1-CG2 4.35Å; L644-I1117 HydrophobicContact CD1-CG1 4.04Å
645	R	91.1	Very high	90.3	Very high	39 Å²	39	37.8 Å²	37.8	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-69.1	-41	173.1	-75.5	-174	-65.6	-97.7	8.3	112.6	A641 R642 A643 L648 V649 L716 D1113 T1116	A641-R645 WeakPolarHBondContact O-CG 3.45Å; A641-R645 PolarHBondContact O-N 3.25Å; R642-R645 PolarHBondContact O-N 2.87Å; R642-R645 VanDerWaalsContact O-N 3.16Å; A643-R645 VanDerWaalsContact C-N 3.33Å; A643-R645 PolarHBondContact O-N 2.99Å; R645-L648 PolarHBondContact O-N 3.16Å; R645-V649 WeakPolarHBondContact O-CG2 3.28Å; R645-V649 PolarHBondContact O-N 3.02Å; R645-L716 HydrophobicContact CB-CD2 4.23Å; R645-D1113 IonicContact CZ-OD1 3.04Å; R645-D1113 IonicContact NH1-OD1 3.47Å; R645-D1113 PolarHBondContact NH1-OD1 3.05Å; R645-D1113 IonicContact NH2-OD1 2.74Å; R645-D1113 PolarHBondContact NH2-OD1 2.88Å; R645-T1116 HydrophobicContact CG-CG2 4.02Å; R645-T1116 PolarHBondContact NH1-OG1 2.76Å; R645-T1116 VanDerWaalsContact NH1-OG1 3.11Å
646	E	89.6	Confident	89.9	Confident	72 Å²	72	38 Å²	38	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-64.1	-42.5	175.9	-71.6	175.6	-178.2	0	0	110.8	R642 A643 V649 E650	R642-E646 HydrophobicContact CG-CG 4.5Å; R642-E646 IonicContact CZ-OE1 3.56Å; R642-E646 VanDerWaalsContact CZ-OE1 3.28Å; R642-E646 IonicContact NE-OE1 2.68Å; R642-E646 PolarHBondContact NE-OE1 2.89Å; R642-E646 IonicContact NH2-OE1 2.98Å; R642-E646 PolarHBondContact NH2-OE1 2.85Å; R642-E646 WeakPolarHBondContact O-CG 3.22Å; R642-E646 PolarHBondContact O-N 2.87Å; A643-E646 PolarHBondContact O-N 2.98Å; E646-V649 PolarHBondContact O-N 2.85Å; E646-E650 PolarHBondContact O-N 2.91Å
647	D	89.5	Confident	89.7	Confident	37 Å²	37	38 Å²	38	20%	0.198	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-42.4	171.8	-72.2	-30.5	0	0	0	112.5	A643 E650 R651 R1131	A643-D647 PolarHBondContact O-N 3.16Å; D647-E650 WeakPolarHBondContact O-CB 3.45Å; D647-E650 PolarHBondContact O-N 2.93Å; D647-R651 WeakPolarHBondContact O-CG 3.39Å; D647-R651 PolarHBondContact O-N 2.69Å; D647-R651 PolarHBondContact O-NH1 3.2Å; D647-R1131 WeakPolarHBondContact OD1-CD 3.26Å; D647-R1131 IonicContact OD1-CZ 2.68Å; D647-R1131 IonicContact OD1-NE 3.84Å; D647-R1131 PolarHBondContact OD1-NE 3Å; D647-R1131 IonicContact OD1-NH1 3.19Å; D647-R1131 PolarHBondContact OD1-NH1 3.39Å
648	L	90.2	Very high	89.5	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63.4	-41.9	175.9	170.6	57.6	0	0	0	111.4	L644 R645 E650 R651 I652 V678 Y680 E690 F691 L692	L644-L648 WeakPolarHBondContact O-CB 3.4Å; L644-L648 PolarHBondContact O-N 3.27Å; R645-L648 PolarHBondContact O-N 3.16Å; L648-E650 VanDerWaalsContact C-N 3.32Å; L648-E650 PolarHBondContact O-N 3.15Å; L648-R651 PolarHBondContact O-N 3.4Å; L648-R651 VanDerWaalsContact O-N 3.11Å; L648-I652 HydrophobicContact CD1-CD1 3.9Å; L648-I652 HydrophobicContact CD1-CG1 3.93Å; L648-I652 HydrophobicContact CG-CD1 3.86Å; L648-I652 HydrophobicContact CG-CG1 4.38Å; L648-I652 VanDerWaalsContact O-CG1 3.32Å; L648-I652 WeakPolarHBondContact O-CG1 3.41Å; L648-I652 PolarHBondContact O-N 3.04Å; L648-V678 HydrophobicContact CD1-CG2 4.16Å; L648-V678 HydrophobicContact CD2-CG2 4.39Å; L648-Y680 HydrophobicContact CD1-CE1 3.83Å; L648-E690 HydrophobicContact CD1-CB 4.01Å; L648-E690 HydrophobicContact CD1-CG 4.45Å; L648-E690 HydrophobicContact CD2-CB 4.23Å; L648-F691 WeakPolarHBondContact CD2-O 3.35Å; L648-L692 HydrophobicContact CD2-CD1 4.03Å
649	V	88.6	Confident	89.4	Confident	13 Å²	13	35.9 Å²	35.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-39.8	174.7	168.8	0	0	0	0	111.4	R645 E646 R651 R653 L716 I718	R645-V649 WeakPolarHBondContact O-CG2 3.28Å; R645-V649 PolarHBondContact O-N 3.02Å; E646-V649 PolarHBondContact O-N 2.85Å; V649-R651 VanDerWaalsContact C-N 3.34Å; V649-R651 PolarHBondContact O-N 2.96Å; V649-R653 VanDerWaalsContact CG1-NH1 3.27Å; V649-R653 VanDerWaalsContact O-CB 3.28Å; V649-R653 WeakPolarHBondContact O-CB 3.43Å; V649-R653 WeakPolarHBondContact O-CG 3.41Å; V649-R653 PolarHBondContact O-N 3.15Å; V649-L716 HydrophobicContact CG2-CB 3.79Å; V649-L716 HydrophobicContact CG2-CD1 3.98Å; V649-L716 HydrophobicContact CG2-CD2 3.9Å; V649-L716 HydrophobicContact CG2-CG 4.1Å; V649-I718 HydrophobicContact CG1-CD1 4.36Å; V649-I718 HydrophobicContact CG2-CD1 4.27Å
650	E	87.2	Confident	89.5	Confident	87 Å²	87	36 Å²	36	41%	0.407	17%	0.165	S	C	.	.	H	α-helix	trans	-61.9	-38.5	172.7	-72.9	175	-174	0	0	112.2	E646 D647 L648 R653 Q654 R1131	E646-E650 PolarHBondContact O-N 2.91Å; D647-E650 WeakPolarHBondContact O-CB 3.45Å; D647-E650 PolarHBondContact O-N 2.93Å; L648-E650 VanDerWaalsContact C-N 3.32Å; L648-E650 PolarHBondContact O-N 3.15Å; E650-R653 PolarHBondContact O-N 3.5Å; E650-Q654 WeakPolarHBondContact O-CG 3.35Å; E650-Q654 PolarHBondContact O-N 3.33Å; E650-Q654 PolarHBondContact O-NE2 2.91Å; E650-R1131 IonicContact OE1-CZ 2.7Å; E650-R1131 IonicContact OE1-NH1 3.02Å; E650-R1131 PolarHBondContact OE1-NH1 3.05Å; E650-R1131 IonicContact OE1-NH2 2.69Å; E650-R1131 PolarHBondContact OE1-NH2 3.41Å; E650-R1131 IonicContact OE2-CZ 3.65Å; E650-R1131 IonicContact OE2-NH1 2.78Å; E650-R1131 PolarHBondContact OE2-NH1 3.22Å; E650-R1131 IonicContact OE2-NH2 3.36Å
651	R	87.9	Confident	89.4	Confident	67 Å²	67	36 Å²	36	25%	0.253	17%	0.165	S	C	.	.	H	α-helix	trans	-70.5	-44.6	176	-68.3	-170.4	-65.5	-87.2	5.9	113	D647 L648 V649 R653 Q654 S655 Y680 E690	D647-R651 WeakPolarHBondContact O-CG 3.39Å; D647-R651 PolarHBondContact O-N 2.69Å; D647-R651 PolarHBondContact O-NH1 3.2Å; L648-R651 PolarHBondContact O-N 3.4Å; L648-R651 VanDerWaalsContact O-N 3.11Å; V649-R651 VanDerWaalsContact C-N 3.34Å; V649-R651 PolarHBondContact O-N 2.96Å; R651-R653 VanDerWaalsContact C-N 3.26Å; R651-R653 PolarHBondContact O-N 3.15Å; R651-Q654 PolarHBondContact O-N 2.92Å; R651-S655 PolarHBondContact O-N 2.93Å; R651-S655 VanDerWaalsContact O-N 3.15Å; R651-Y680 HydrophobicContact CB-CE2 3.75Å; R651-Y680 WeakPolarHBondContact CD-OH 3.48Å; R651-Y680 PolarHBondContact NE-OH 2.89Å; R651-E690 IonicContact CZ-OE1 3.59Å; R651-E690 IonicContact CZ-OE2 3.42Å; R651-E690 IonicContact NE-OE1 3.48Å; R651-E690 PolarHBondContact NE-OE1 2.93Å; R651-E690 VanDerWaalsContact NH2-CD 3.31Å; R651-E690 IonicContact NH2-OE1 2.7Å; R651-E690 PolarHBondContact NH2-OE1 2.84Å; R651-E690 VanDerWaalsContact NH2-OE1 3.11Å; R651-E690 IonicContact NH2-OE2 3.45Å; R651-E690 PolarHBondContact NH2-OE2 2.92Å
652	I	87.4	Confident	89.2	Confident	5 Å²	5	36 Å²	36	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-43.4	172.6	-65.1	163.4	0	0	0	109.6	L648 Q654 S655 L658 V678 L692 I718 K724	L648-I652 HydrophobicContact CD1-CD1 3.9Å; L648-I652 HydrophobicContact CD1-CG1 3.93Å; L648-I652 HydrophobicContact CG-CD1 3.86Å; L648-I652 HydrophobicContact CG-CG1 4.38Å; L648-I652 VanDerWaalsContact O-CG1 3.32Å; L648-I652 WeakPolarHBondContact O-CG1 3.41Å; L648-I652 PolarHBondContact O-N 3.04Å; I652-Q654 PolarHBondContact O-N 2.89Å; I652-Q654 VanDerWaalsContact O-N 3.13Å; I652-S655 PolarHBondContact O-N 3.37Å; I652-L658 HydrophobicContact CG2-CD2 4.3Å; I652-V678 HydrophobicContact CD1-CG2 4.08Å; I652-V678 HydrophobicContact CG1-CG2 4.48Å; I652-L692 HydrophobicContact CD1-CD1 4.11Å; I652-I718 HydrophobicContact CD1-CD1 4.43Å; I652-I718 HydrophobicContact CG2-CD1 4.24Å; I652-K724 WeakPolarHBondContact O-CD 3.5Å; I652-K724 WeakPolarHBondContact O-CE 3.28Å; I652-K724 PolarHBondContact O-NZ 2.68Å
653	R	84.3	Confident	89.1	Confident	115 Å²	115	32 Å²	32	43%	0.434	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-8.8	175.5	-77.9	178.5	170	145.1	1.2	114.8	V649 E650 R651 E723 K724	V649-R653 VanDerWaalsContact CG1-NH1 3.27Å; V649-R653 VanDerWaalsContact O-CB 3.28Å; V649-R653 WeakPolarHBondContact O-CB 3.43Å; V649-R653 WeakPolarHBondContact O-CG 3.41Å; V649-R653 PolarHBondContact O-N 3.15Å; E650-R653 PolarHBondContact O-N 3.5Å; R651-R653 VanDerWaalsContact C-N 3.26Å; R651-R653 PolarHBondContact O-N 3.15Å; R653-E723 WeakPolarHBondContact CG-OE2 3.43Å; R653-E723 IonicContact CZ-OE1 3.11Å; R653-E723 IonicContact CZ-OE2 3.09Å; R653-E723 IonicContact NE-OE1 2.66Å; R653-E723 PolarHBondContact NE-OE1 3.22Å; R653-E723 IonicContact NE-OE2 3.25Å; R653-E723 PolarHBondContact NE-OE2 3.32Å; R653-E723 IonicContact NH2-OE1 2.73Å; R653-E723 PolarHBondContact NH2-OE1 3.49Å; R653-E723 IonicContact NH2-OE2 2.66Å; R653-K724 PolarHBondContact O-NZ 3.14Å
654	Q	84.8	Confident	88.8	Confident	130 Å²	130	31.7 Å²	31.7	61%	0.607	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-33.2	170.3	-68.3	167.3	42.4	0	0	114.3	E650 R651 I652	E650-Q654 WeakPolarHBondContact O-CG 3.35Å; E650-Q654 PolarHBondContact O-N 3.33Å; E650-Q654 PolarHBondContact O-NE2 2.91Å; R651-Q654 PolarHBondContact O-N 2.92Å; I652-Q654 PolarHBondContact O-N 2.89Å; I652-Q654 VanDerWaalsContact O-N 3.13Å
655	S	86.5	Confident	88	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.007	15%	0.151	C	C	.	.	S	Bend	trans	-59.7	141.1	-177.3	-171.5	0	0	0	0	114.6	R651 I652 C657 T681 K724	R651-S655 PolarHBondContact O-N 2.93Å; R651-S655 VanDerWaalsContact O-N 3.15Å; I652-S655 PolarHBondContact O-N 3.37Å; S655-C657 VanDerWaalsContact C-N 3.33Å; S655-C657 WeakPolarHBondContact CB-O 3.3Å; S655-C657 PolarHBondContact O-N 3.14Å; S655-C657 PolarHBondContact OG-O 3.47Å; S655-T681 WeakPolarHBondContact CA-O 3.43Å; S655-T681 WeakPolarHBondContact CB-O 3.48Å; S655-T681 PolarHBondContact OG-N 2.9Å; S655-T681 PolarHBondContact OG-O 2.85Å; S655-T681 VanDerWaalsContact OG-O 3.12Å; S655-K724 VanDerWaalsContact O-CD 3.27Å; S655-K724 WeakPolarHBondContact O-CD 3.43Å; S655-K724 WeakPolarHBondContact O-CE 3.37Å; S655-K724 PolarHBondContact O-NZ 3.27Å
656	P	83.2	Confident	86.7	Confident	59 Å²	59	32.3 Å²	32.3	38%	0.383	16%	0.155	S	C	.	.	S	Bend	trans	-68.1	-29.8	178.4	26.7	-34.4	0	0	0	113.8	T681 Q1076	P656-T681 HydrophobicContact CG-CG2 3.9Å; P656-Q1076 HydrophobicContact CG-CB 4.28Å; P656-Q1076 HydrophobicContact CG-CG 4.41Å
657	C	86.9	Confident	85.4	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.027	15%	0.15	C	C	.	.			trans	-148	171.6	179.9	55.2	0	0	0	0	110.1	S655 P725 V727	S655-C657 VanDerWaalsContact C-N 3.33Å; S655-C657 WeakPolarHBondContact CB-O 3.3Å; S655-C657 PolarHBondContact O-N 3.14Å; S655-C657 PolarHBondContact OG-O 3.47Å; C657-P725 HydrophobicContact CB-CG 4.06Å; C657-V727 HydrophobicContact CB-CG1 3.96Å; C657-V727 HydrophobicContact CB-CG2 4.09Å
658	L	90.4	Very high	83.7	Confident	10 Å²	10	34.3 Å²	34.3	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.7	175	71.4	96.9	0	0	0	111.8	I652 I660 Q679 K724 P725 T726 V727	I652-L658 HydrophobicContact CG2-CD2 4.3Å; L658-I660 HydrophobicContact CD1-CD1 4.32Å; L658-I660 HydrophobicContact CD1-CG1 3.8Å; L658-Q679 CarbonylContact C-O 3.59Å; L658-Q679 WeakPolarHBondContact CA-O 3.07Å; L658-K724 HydrophobicContact CD2-CB 4.13Å; L658-P725 PolarHBondContact N-O 3.41Å; L658-P725 VanDerWaalsContact N-O 3.16Å; L658-T726 HydrophobicContact CD1-CG2 4Å; L658-T726 WeakPolarHBondContact CD1-OG1 3.24Å; L658-T726 CarbonylContact O-C 3.57Å; L658-T726 VanDerWaalsContact O-CA 3.28Å; L658-T726 WeakPolarHBondContact O-CA 3.38Å; L658-V727 WeakPolarHBondContact O-CG2 3.36Å; L658-V727 PolarHBondContact O-N 3Å
659	S	92.4	Very high	81.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.6	166.6	-62.3	0	0	0	0	110.5	V678 Q679 G728 V1080	S659-V678 WeakPolarHBondContact O-CA 3.29Å; S659-Q679 PolarHBondContact N-O 2.96Å; S659-Q679 PolarHBondContact O-N 3.17Å; S659-G728 CarbonylContact C-O 3.17Å; S659-G728 WeakPolarHBondContact CA-O 3.41Å; S659-G728 VanDerWaalsContact CB-O 3.27Å; S659-G728 WeakPolarHBondContact CB-O 3.38Å; S659-G728 VanDerWaalsContact OG-CA 3.24Å; S659-G728 WeakPolarHBondContact OG-CA 3.5Å; S659-G728 PolarHBondContact OG-N 3.33Å; S659-G728 VanDerWaalsContact OG-N 3.13Å; S659-V1080 WeakPolarHBondContact CB-O 3.25Å; S659-V1080 PolarHBondContact OG-O 2.81Å
660	I	92.9	Very high	80.6	Confident	7 Å²	7	45 Å²	45	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.2	-178.4	-55.9	173.6	0	0	0	108.9	L658 L662 V676 L709 F713 L720 T726 G728 L729 G730	L658-I660 HydrophobicContact CD1-CD1 4.32Å; L658-I660 HydrophobicContact CD1-CG1 3.8Å; I660-L662 HydrophobicContact CG2-CD2 4.47Å; I660-V676 HydrophobicContact CG2-CG1 4.25Å; I660-L709 HydrophobicContact CD1-CD2 4.42Å; I660-L709 HydrophobicContact CG2-CD2 3.75Å; I660-F713 HydrophobicContact CD1-CE2 3.75Å; I660-F713 HydrophobicContact CD1-CZ 3.75Å; I660-F713 HydrophobicContact CG1-CE2 4.28Å; I660-F713 HydrophobicContact CG1-CZ 3.97Å; I660-L720 HydrophobicContact CD1-CD2 3.5Å; I660-T726 HydrophobicContact CD1-CG2 3.82Å; I660-T726 HydrophobicContact CG1-CG2 3.95Å; I660-G728 PolarHBondContact N-O 3.14Å; I660-L729 HydrophobicContact CB-CD1 4.26Å; I660-L729 HydrophobicContact CG2-CD1 4.45Å; I660-L729 WeakPolarHBondContact O-CA 3.49Å; I660-G730 PolarHBondContact O-N 2.9Å
661	I	93.1	Very high	79.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.6	173.3	-64.7	156.9	0	0	0	108.5	Y677 T689 G730 F760 P1082	I661-Y677 HydrophobicContact CG2-CD2 4.38Å; I661-Y677 PolarHBondContact N-O 3.49Å; I661-Y677 PolarHBondContact O-N 2.77Å; I661-T689 HydrophobicContact CD1-CG2 3.86Å; I661-G730 WeakPolarHBondContact CA-O 3.49Å; I661-F760 HydrophobicContact CB-CZ 4.34Å; I661-F760 HydrophobicContact CD1-CE2 3.85Å; I661-F760 HydrophobicContact CD1-CZ 3.73Å; I661-F760 HydrophobicContact CG1-CE2 4.05Å; I661-F760 HydrophobicContact CG1-CZ 3.97Å; I661-F760 HydrophobicContact CG2-CD1 4.07Å; I661-F760 HydrophobicContact CG2-CE1 3.34Å; I661-F760 HydrophobicContact CG2-CE2 4.25Å; I661-F760 HydrophobicContact CG2-CZ 3.44Å; I661-F760 VanDerWaalsContact CG2-CZ 3.44Å; I661-P1082 HydrophobicContact CD1-CB 3.89Å; I661-P1082 HydrophobicContact CG1-CB 3.61Å
662	L	91.6	Very high	79.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.9	174.4	-63.3	179.1	0	0	0	109.9	I660 V674 V676 Y705 L709 G730 V731 D732 M744	I660-L662 HydrophobicContact CG2-CD2 4.47Å; L662-V674 HydrophobicContact CB-CG2 3.95Å; L662-V674 HydrophobicContact CD2-CG2 3.88Å; L662-V674 HydrophobicContact CG-CG2 4.44Å; L662-V676 HydrophobicContact CD2-CB 4.3Å; L662-V676 HydrophobicContact CD2-CG1 4.16Å; L662-V676 HydrophobicContact CD2-CG2 3.82Å; L662-Y705 HydrophobicContact CD1-CD1 4.31Å; L662-L709 HydrophobicContact CD1-CD1 4.27Å; L662-L709 HydrophobicContact CD1-CD2 4.4Å; L662-L709 HydrophobicContact CD1-CG 4.36Å; L662-L709 HydrophobicContact CD2-CD2 3.84Å; L662-L709 HydrophobicContact CD2-CG 4.38Å; L662-L709 HydrophobicContact CG-CD2 4.47Å; L662-G730 PolarHBondContact N-O 3.12Å; L662-V731 HydrophobicContact CB-CG1 4.5Å; L662-V731 HydrophobicContact CB-CG2 4.29Å; L662-V731 HydrophobicContact CD1-CG2 4.26Å; L662-D732 PolarHBondContact O-N 3.04Å; L662-M744 HydrophobicContact CD1-CE 3.71Å
663	D	90.1	Very high	79.3	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	103.7	172.3	-178.6	11.8	0	0	0	109.8	Q665 V674 A675 Y677 D732 R1092	D663-Q665 PolarHBondContact OD1-NE2 2.67Å; D663-V674 WeakPolarHBondContact O-CA 3.46Å; D663-A675 HydrophobicContact CB-CB 4.41Å; D663-A675 PolarHBondContact N-O 3.02Å; D663-A675 PolarHBondContact O-N 3.15Å; D663-Y677 HydrophobicContact CB-CE2 3.9Å; D663-D732 WeakPolarHBondContact CA-O 3.4Å; D663-R1092 IonicContact OD1-CZ 2.82Å; D663-R1092 IonicContact OD1-NH2 3.79Å; D663-R1092 PolarHBondContact OD1-NH2 3.01Å; D663-R1092 IonicContact OD2-CZ 3.83Å; D663-R1092 IonicContact OD2-NE 3.49Å; D663-R1092 IonicContact OD2-NH2 3.28Å; D663-R1092 PolarHBondContact OD2-NH2 3.08Å
664	G	84.1	Confident	79.6	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.6	179.1	0	0	0	0	0	112.3	D732 G733	G664-D732 PolarHBondContact N-O 3.46Å; G664-G733 WeakPolarHBondContact O-CA 3.36Å
665	Q	75.7	Confident	80	Confident	33 Å²	33	29.6 Å²	29.6	15%	0.154	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.9	-177.4	-64.2	-61.4	-65.9	0	0	110.8	D663 T673	D663-Q665 PolarHBondContact OD1-NE2 2.67Å; Q665-T673 PolarHBondContact N-O 3.38Å; Q665-T673 PolarHBondContact O-N 3.11Å; Q665-T673 PolarHBondContact O-OG1 3.33Å
666	S	64.9	Low	80.3	Confident	34 Å²	34	29.6 Å²	29.6	24%	0.238	17%	0.168	C	C	.	.			trans	-71.6	149	164.7	7.5	0	0	0	0	111.2	N735	S666-N735 WeakPolarHBondContact CB-ND2 3.3Å; S666-N735 WeakPolarHBondContact CB-OD1 3.48Å; S666-N735 VanDerWaalsContact OG-CG 3.25Å; S666-N735 PolarHBondContact OG-OD1 3Å
667	D	60.8	Low	80.8	Confident	43 Å²	43	26.9 Å²	26.9	23%	0.23	15%	0.15	C	C	.	.			trans	-151.7	118.4	167.7	-171.8	-42.7	0	0	0	108	L669 L670 R1099	D667-L669 PolarHBondContact O-N 3.07Å; D667-L669 WeakPolarHBondContact OD1-CB 3.47Å; D667-L669 PolarHBondContact OD1-N 2.88Å; D667-L670 HydrophobicContact CB-CB 4.33Å; D667-L670 PolarHBondContact O-N 3.46Å; D667-L670 VanDerWaalsContact O-N 3.09Å; D667-L670 VanDerWaalsContact O-O 3.05Å; D667-R1099 IonicContact OD2-CZ 2.9Å; D667-R1099 IonicContact OD2-NE 3.77Å; D667-R1099 IonicContact OD2-NH1 2.75Å; D667-R1099 PolarHBondContact OD2-NH1 3.04Å
668	D	54.6	Low	81.1	Confident	108 Å²	108	26.8 Å²	26.8	58%	0.578	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-8.6	-174.3	-74.7	23	0	0	0	113.9	A824	D668-A824 HydrophobicContact CB-CB 4.1Å; D668-A824 WeakPolarHBondContact OD2-CA 3.47Å
669	L	53.2	Low	81.2	Confident	149 Å²	149	26.7 Å²	26.7	78%	0.78	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-6	179.4	-58.2	177.5	0	0	0	114.2	D667	D667-L669 PolarHBondContact O-N 3.07Å; D667-L669 WeakPolarHBondContact OD1-CB 3.47Å; D667-L669 PolarHBondContact OD1-N 2.88Å
670	L	59.8	Low	81.1	Confident	89 Å²	89	27 Å²	27	47%	0.466	15%	0.15	S	C	.	.	S	Bend	trans	-134.1	178.8	-176.1	-66.2	175	0	0	0	110.5	D667	D667-L670 HydrophobicContact CB-CB 4.33Å; D667-L670 PolarHBondContact O-N 3.46Å; D667-L670 VanDerWaalsContact O-N 3.09Å; D667-L670 VanDerWaalsContact O-O 3.05Å
671	A	65.9	Low	80.8	Confident	37 Å²	37	26.7 Å²	26.7	31%	0.306	15%	0.148	S	C	.	.			trans	-71.7	155.1	164.3	0	0	0	0	0	110.3	T673 E696	A671-T673 PolarHBondContact O-N 3.21Å; A671-E696 HydrophobicContact CB-CG 3.73Å; A671-E696 VanDerWaalsContact CB-OE1 3.24Å; A671-E696 WeakPolarHBondContact CB-OE1 3.43Å
672	D	82.2	Confident	79.8	Confident	34 Å²	34	28.7 Å²	28.7	18%	0.182	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	136.5	171.4	-94.7	-0	0	0	0	109.9	L697 N735	D672-L697 HydrophobicContact CB-CB 3.94Å; D672-L697 HydrophobicContact CB-CD1 4.25Å; D672-L697 WeakPolarHBondContact O-CB 3.38Å; D672-L697 PolarHBondContact O-N 3.03Å; D672-N735 PolarHBondContact OD1-ND2 3.29Å; D672-N735 PolarHBondContact OD2-ND2 2.99Å
673	T	87.9	Confident	78.6	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.5	179.4	47.5	0	0	0	0	111.5	Q665 A671 L694 Q695 R1099 L1108	Q665-T673 PolarHBondContact N-O 3.38Å; Q665-T673 PolarHBondContact O-N 3.11Å; Q665-T673 PolarHBondContact O-OG1 3.33Å; A671-T673 PolarHBondContact O-N 3.21Å; T673-L694 HydrophobicContact CG2-CG 4.45Å; T673-Q695 CarbonylContact C-O 3.57Å; T673-Q695 VanDerWaalsContact CA-O 3.3Å; T673-Q695 WeakPolarHBondContact CA-O 3.32Å; T673-R1099 PolarHBondContact OG1-NH2 3.33Å; T673-L1108 HydrophobicContact CG2-CD1 4.39Å
674	V	91	Very high	77.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.8	168.5	62.9	0	0	0	0	109.7	L662 D663 Q695 L697 Y705 A708	L662-V674 HydrophobicContact CB-CG2 3.95Å; L662-V674 HydrophobicContact CD2-CG2 3.88Å; L662-V674 HydrophobicContact CG-CG2 4.44Å; D663-V674 WeakPolarHBondContact O-CA 3.46Å; V674-Q695 HydrophobicContact CG1-CB 3.93Å; V674-Q695 PolarHBondContact N-O 3.14Å; V674-Q695 PolarHBondContact O-N 2.87Å; V674-L697 HydrophobicContact CB-CD1 4.13Å; V674-L697 HydrophobicContact CB-CG 4.45Å; V674-L697 HydrophobicContact CG1-CD1 4.28Å; V674-L697 HydrophobicContact CG1-CD2 3.98Å; V674-L697 HydrophobicContact CG1-CG 4.11Å; V674-Y705 HydrophobicContact CB-CD1 4.39Å; V674-Y705 HydrophobicContact CB-CE1 4.05Å; V674-Y705 HydrophobicContact CG1-CD1 4.44Å; V674-Y705 HydrophobicContact CG2-CD1 4.18Å; V674-Y705 HydrophobicContact CG2-CE1 3.93Å; V674-A708 HydrophobicContact CG1-CB 3.79Å
675	A	92.3	Very high	76.4	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.025	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.8	168.8	0	0	0	0	0	108.4	D663 Y677 F691 L694	D663-A675 HydrophobicContact CB-CB 4.41Å; D663-A675 PolarHBondContact N-O 3.02Å; D663-A675 PolarHBondContact O-N 3.15Å; A675-Y677 HydrophobicContact CB-CD2 4.4Å; A675-Y677 HydrophobicContact CB-CE2 3.52Å; A675-F691 HydrophobicContact CB-CD2 4.47Å; A675-F691 HydrophobicContact CB-CE2 4.09Å; A675-L694 HydrophobicContact CB-CD1 4.09Å
676	V	93.8	Very high	76.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.6	176.8	-172.7	0	0	0	0	107.9	I660 L662 L692 S693 Q695 L709 A712 F713	I660-V676 HydrophobicContact CG2-CG1 4.25Å; L662-V676 HydrophobicContact CD2-CB 4.3Å; L662-V676 HydrophobicContact CD2-CG1 4.16Å; L662-V676 HydrophobicContact CD2-CG2 3.82Å; V676-L692 HydrophobicContact CB-CB 4.32Å; V676-L692 HydrophobicContact CG1-CB 4.22Å; V676-L692 HydrophobicContact CG1-CD2 3.93Å; V676-L692 WeakPolarHBondContact O-CA 3.42Å; V676-L692 VanDerWaalsContact O-CB 3.27Å; V676-L692 WeakPolarHBondContact O-CB 3.27Å; V676-L692 PolarHBondContact O-N 2.58Å; V676-S693 PolarHBondContact N-O 3.46Å; V676-S693 PolarHBondContact O-N 2.95Å; V676-Q695 HydrophobicContact CG2-CG 4.16Å; V676-L709 HydrophobicContact CG1-CD2 4.32Å; V676-A712 HydrophobicContact CB-CB 4.41Å; V676-A712 HydrophobicContact CG1-CB 4.41Å; V676-A712 HydrophobicContact CG2-CB 4.08Å; V676-F713 HydrophobicContact CG1-CE2 4.48Å
677	Y	94.1	Very high	77.2	Confident	2 Å²	2	42 Å²	42	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	155.6	172.8	-50.6	-105.3	0	0	0	109.7	I661 D663 A675 E690 F691 C1088	I661-Y677 HydrophobicContact CG2-CD2 4.38Å; I661-Y677 PolarHBondContact N-O 3.49Å; I661-Y677 PolarHBondContact O-N 2.77Å; D663-Y677 HydrophobicContact CB-CE2 3.9Å; A675-Y677 HydrophobicContact CB-CD2 4.4Å; A675-Y677 HydrophobicContact CB-CE2 3.52Å; Y677-E690 CarbonylContact C-O 3.5Å; Y677-E690 VanDerWaalsContact CA-O 3.28Å; Y677-E690 WeakPolarHBondContact CA-O 3.37Å; Y677-E690 WeakPolarHBondContact CB-O 3.46Å; Y677-F691 HydrophobicContact CD1-CB 3.83Å; Y677-F691 HydrophobicContact CD1-CD2 4.21Å; Y677-F691 HydrophobicContact CE1-CB 3.94Å; Y677-F691 AromaticContact CE1-CD2 3.86Å; Y677-F691 HydrophobicContact CE1-CD2 3.86Å; Y677-F691 HydrophobicContact CE1-CG 4.4Å; Y677-C1088 HydrophobicContact CE2-CB 4.03Å
678	V	92.8	Very high	78.6	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	134.3	175.9	-70.9	0	0	0	0	110.3	L648 I652 S659 T689 E690 L692 F713	L648-V678 HydrophobicContact CD1-CG2 4.16Å; L648-V678 HydrophobicContact CD2-CG2 4.39Å; I652-V678 HydrophobicContact CD1-CG2 4.08Å; I652-V678 HydrophobicContact CG1-CG2 4.48Å; S659-V678 WeakPolarHBondContact O-CA 3.29Å; V678-T689 WeakPolarHBondContact O-CA 3.5Å; V678-E690 PolarHBondContact N-O 3.42Å; V678-E690 PolarHBondContact O-N 3.08Å; V678-L692 HydrophobicContact CG1-CB 4.41Å; V678-L692 HydrophobicContact CG1-CD1 3.93Å; V678-L692 HydrophobicContact CG1-CD2 3.98Å; V678-L692 HydrophobicContact CG1-CG 4.35Å; V678-L692 HydrophobicContact CG2-CD1 3.91Å; V678-F713 HydrophobicContact CG1-CE1 4.34Å; V678-F713 HydrophobicContact CG1-CZ 3.83Å
679	Q	92.4	Very high	80.3	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.2	171	-178.2	176.8	-15.5	0	0	109.2	L658 S659 P687 A688 T689 K1079 V1080 L1081 P1082	L658-Q679 CarbonylContact C-O 3.59Å; L658-Q679 WeakPolarHBondContact CA-O 3.07Å; S659-Q679 PolarHBondContact N-O 2.96Å; S659-Q679 PolarHBondContact O-N 3.17Å; Q679-P687 HydrophobicContact CG-CB 4.38Å; Q679-A688 CarbonylContact C-O 3.52Å; Q679-A688 VanDerWaalsContact CA-O 3.31Å; Q679-A688 WeakPolarHBondContact CA-O 3.42Å; Q679-T689 HydrophobicContact CB-CG2 4.4Å; Q679-T689 WeakPolarHBondContact CG-OG1 3.17Å; Q679-K1079 PolarHBondContact NE2-O 2.89Å; Q679-K1079 VanDerWaalsContact NE2-O 3.07Å; Q679-V1080 VanDerWaalsContact CD-O 3.32Å; Q679-V1080 PolarHBondContact NE2-O 2.89Å; Q679-L1081 PolarHBondContact NE2-O 3.25Å; Q679-L1081 PolarHBondContact OE1-O 3.25Å; Q679-P1082 VanDerWaalsContact OE1-CA 3.28Å
680	Y	90.1	Very high	82.2	Confident	6 Å²	6	32 Å²	32	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	172.9	-174.7	72.1	-87.9	0	0	0	110.3	L648 R651 P687 A688 E690	L648-Y680 HydrophobicContact CD1-CE1 3.83Å; R651-Y680 HydrophobicContact CB-CE2 3.75Å; R651-Y680 WeakPolarHBondContact CD-OH 3.48Å; R651-Y680 PolarHBondContact NE-OH 2.89Å; Y680-P687 CarbonylContact O-C 3.56Å; Y680-P687 WeakPolarHBondContact O-CA 3.3Å; Y680-A688 HydrophobicContact CE1-CB 3.95Å; Y680-A688 HydrophobicContact CE2-CB 4.27Å; Y680-A688 PolarHBondContact N-O 3.18Å; Y680-A688 PolarHBondContact O-N 3.32Å; Y680-E690 HydrophobicContact CE1-CG 4.34Å; Y680-E690 WeakPolarHBondContact CE1-OE1 3.43Å; Y680-E690 PolarHBondContact OH-OE1 2.77Å
681	T	86.2	Confident	83.9	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	123.8	178	-170.7	0	0	0	0	110.4	S655 P656 V1080	S655-T681 WeakPolarHBondContact CA-O 3.43Å; S655-T681 WeakPolarHBondContact CB-O 3.48Å; S655-T681 PolarHBondContact OG-N 2.9Å; S655-T681 PolarHBondContact OG-O 2.85Å; S655-T681 VanDerWaalsContact OG-O 3.12Å; P656-T681 HydrophobicContact CG-CG2 3.9Å; T681-V1080 HydrophobicContact CG2-CG2 3.56Å
682	S	73.6	Confident	85.2	Confident	43 Å²	43	26.1 Å²	26.1	30%	0.301	17%	0.171	S	C	.	.			trans	-105.9	118.4	176.8	-170.5	0	0	0	0	110.7
683	S	66.1	Low	85.7	Confident	96 Å²	96	25.1 Å²	25.1	67%	0.671	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-156.3	-169.8	76.3	0	0	0	0	113	G685	S683-G685 PolarHBondContact O-N 2.96Å
684	D	59.9	Low	86	Confident	72 Å²	72	24.9 Å²	24.9	39%	0.385	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.1	-173.3	-56	-56.6	0	0	0	113.9	C1062 K1065 K1079	D684-C1062 HydrophobicContact CB-CB 4.47Å; D684-K1065 IonicContact OD1-NZ 3.69Å; D684-K1065 PolarHBondContact OD1-NZ 3.42Å; D684-K1065 IonicContact OD2-NZ 2.68Å; D684-K1065 PolarHBondContact OD2-NZ 2.85Å; D684-K1079 PolarHBondContact O-NZ 3.39Å
685	G	66.6	Low	86	Confident	28 Å²	28	26 Å²	26	29%	0.289	17%	0.171	S	C	.	.	S	Bend	trans	-65.9	-177.8	-177.1	0	0	0	0	0	115.8	S683 K1079	S683-G685 PolarHBondContact O-N 2.96Å; G685-K1079 WeakPolarHBondContact O-CE 3.43Å; G685-K1079 PolarHBondContact O-NZ 3.01Å
686	P	74.2	Confident	85.9	Confident	110 Å²	110	30.6 Å²	30.6	71%	0.714	19%	0.191	S	C	*	.			trans	-65	159.3	176.3	29.6	-35.5	0	0	0	111.8
687	P	84.7	Confident	85.5	Confident	42 Å²	42	30.7 Å²	30.7	27%	0.273	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	146.5	171	31.2	-36.6	0	0	0	111	Q679 Y680 K1079	Q679-P687 HydrophobicContact CG-CB 4.38Å; Y680-P687 CarbonylContact O-C 3.56Å; Y680-P687 WeakPolarHBondContact O-CA 3.3Å; P687-K1079 WeakPolarHBondContact CB-O 3.34Å; P687-K1079 VanDerWaalsContact CG-O 3.22Å; P687-K1079 WeakPolarHBondContact CG-O 3.31Å
688	A	88.8	Confident	84.6	Confident	34 Å²	34	33.4 Å²	33.4	28%	0.281	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.7	171.8	0	0	0	0	0	109.3	Q679 Y680	Q679-A688 CarbonylContact C-O 3.52Å; Q679-A688 VanDerWaalsContact CA-O 3.31Å; Q679-A688 WeakPolarHBondContact CA-O 3.42Å; Y680-A688 HydrophobicContact CE1-CB 3.95Å; Y680-A688 HydrophobicContact CE2-CB 4.27Å; Y680-A688 PolarHBondContact N-O 3.18Å; Y680-A688 PolarHBondContact O-N 3.32Å
689	T	91.9	Very high	83.7	Confident	38 Å²	38	41.1 Å²	41.1	23%	0.233	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.9	171.6	-55.9	0	0	0	0	108.1	I661 V678 Q679 C1087	I661-T689 HydrophobicContact CD1-CG2 3.86Å; V678-T689 WeakPolarHBondContact O-CA 3.5Å; Q679-T689 HydrophobicContact CB-CG2 4.4Å; Q679-T689 WeakPolarHBondContact CG-OG1 3.17Å; T689-C1087 HydrophobicContact CG2-CB 3.78Å; T689-C1087 PolarHBondContact O-SG 3.42Å
690	E	92.8	Very high	82.9	Confident	20 Å²	20	44 Å²	44	9%	0.093	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	150	-176.6	-74.9	-174.5	-119.1	0	0	111.1	L648 R651 Y677 V678 Y680	L648-E690 HydrophobicContact CD1-CB 4.01Å; L648-E690 HydrophobicContact CD1-CG 4.45Å; L648-E690 HydrophobicContact CD2-CB 4.23Å; R651-E690 IonicContact CZ-OE1 3.59Å; R651-E690 IonicContact CZ-OE2 3.42Å; R651-E690 IonicContact NE-OE1 3.48Å; R651-E690 PolarHBondContact NE-OE1 2.93Å; R651-E690 VanDerWaalsContact NH2-CD 3.31Å; R651-E690 IonicContact NH2-OE1 2.7Å; R651-E690 PolarHBondContact NH2-OE1 2.84Å; R651-E690 VanDerWaalsContact NH2-OE1 3.11Å; R651-E690 IonicContact NH2-OE2 3.45Å; R651-E690 PolarHBondContact NH2-OE2 2.92Å; Y677-E690 CarbonylContact C-O 3.5Å; Y677-E690 VanDerWaalsContact CA-O 3.28Å; Y677-E690 WeakPolarHBondContact CA-O 3.37Å; Y677-E690 WeakPolarHBondContact CB-O 3.46Å; V678-E690 PolarHBondContact N-O 3.42Å; V678-E690 PolarHBondContact O-N 3.08Å; Y680-E690 HydrophobicContact CE1-CG 4.34Å; Y680-E690 WeakPolarHBondContact CE1-OE1 3.43Å; Y680-E690 PolarHBondContact OH-OE1 2.77Å
691	F	95.1	Very high	82.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.5	173.7	171.7	-96.5	0	0	0	110.8	L648 A675 Y677 L694 L1115 V1119 N1120	L648-F691 WeakPolarHBondContact CD2-O 3.35Å; A675-F691 HydrophobicContact CB-CD2 4.47Å; A675-F691 HydrophobicContact CB-CE2 4.09Å; Y677-F691 HydrophobicContact CD1-CB 3.83Å; Y677-F691 HydrophobicContact CD1-CD2 4.21Å; Y677-F691 HydrophobicContact CE1-CB 3.94Å; Y677-F691 AromaticContact CE1-CD2 3.86Å; Y677-F691 HydrophobicContact CE1-CD2 3.86Å; Y677-F691 HydrophobicContact CE1-CG 4.4Å; F691-L694 HydrophobicContact CE2-CB 4.45Å; F691-L694 HydrophobicContact CZ-CB 4.03Å; F691-L694 VanDerWaalsContact CZ-N 3.29Å; F691-L1115 HydrophobicContact CD1-CB 4.19Å; F691-L1115 HydrophobicContact CE1-CB 3.58Å; F691-L1115 HydrophobicContact CE2-CB 4.16Å; F691-L1115 HydrophobicContact CE2-CD1 3.87Å; F691-L1115 HydrophobicContact CZ-CB 3.54Å; F691-L1115 HydrophobicContact CZ-CD1 3.68Å; F691-L1115 HydrophobicContact CZ-CG 4.29Å; F691-V1119 HydrophobicContact CB-CB 3.99Å; F691-V1119 HydrophobicContact CB-CG1 3.82Å; F691-N1120 PolarHBondContact N-OD1 3.35Å; F691-N1120 PolarHBondContact O-ND2 3.06Å
692	L	93.4	Very high	82.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-54.1	-177.7	-161.8	75.9	0	0	0	111.5	L648 I652 V676 V678 A712 F713 L716	L648-L692 HydrophobicContact CD2-CD1 4.03Å; I652-L692 HydrophobicContact CD1-CD1 4.11Å; V676-L692 HydrophobicContact CB-CB 4.32Å; V676-L692 HydrophobicContact CG1-CB 4.22Å; V676-L692 HydrophobicContact CG1-CD2 3.93Å; V676-L692 WeakPolarHBondContact O-CA 3.42Å; V676-L692 VanDerWaalsContact O-CB 3.27Å; V676-L692 WeakPolarHBondContact O-CB 3.27Å; V676-L692 PolarHBondContact O-N 2.58Å; V678-L692 HydrophobicContact CG1-CB 4.41Å; V678-L692 HydrophobicContact CG1-CD1 3.93Å; V678-L692 HydrophobicContact CG1-CD2 3.98Å; V678-L692 HydrophobicContact CG1-CG 4.35Å; V678-L692 HydrophobicContact CG2-CD1 3.91Å; L692-A712 HydrophobicContact CD2-CB 4.24Å; L692-F713 HydrophobicContact CD2-CD1 4.41Å; L692-F713 HydrophobicContact CD2-CD2 4.11Å; L692-F713 HydrophobicContact CD2-CE1 4.14Å; L692-F713 HydrophobicContact CD2-CE2 3.79Å; L692-F713 HydrophobicContact CD2-CG 4.41Å; L692-F713 HydrophobicContact CD2-CZ 3.81Å; L692-L716 HydrophobicContact CD1-CD1 3.39Å; L692-L716 HydrophobicContact CD2-CD1 4.31Å; L692-L716 HydrophobicContact CG-CD1 3.81Å
693	S	93.1	Very high	83.3	Confident	13 Å²	13	49.8 Å²	49.8	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	161.6	175.5	62.5	0	0	0	0	112.2	V676 Q695 A712 S1112	V676-S693 PolarHBondContact N-O 3.46Å; V676-S693 PolarHBondContact O-N 2.95Å; S693-Q695 PolarHBondContact OG-NE2 2.78Å; S693-A712 VanDerWaalsContact OG-CB 3.27Å; S693-A712 WeakPolarHBondContact OG-CB 3.48Å; S693-S1112 WeakPolarHBondContact CA-OG 3.12Å
694	L	93	Very high	84.4	Confident	3 Å²	3	46 Å²	46	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.6	166	-171.2	69	0	0	0	109	T673 A675 F691 L1095 L1108 L1111 S1112 L1115	T673-L694 HydrophobicContact CG2-CG 4.45Å; A675-L694 HydrophobicContact CB-CD1 4.09Å; F691-L694 HydrophobicContact CE2-CB 4.45Å; F691-L694 HydrophobicContact CZ-CB 4.03Å; F691-L694 VanDerWaalsContact CZ-N 3.29Å; L694-L1095 HydrophobicContact CD2-CD1 4.33Å; L694-L1108 HydrophobicContact CB-CD1 4.44Å; L694-L1108 HydrophobicContact CD2-CD1 4.01Å; L694-L1108 HydrophobicContact CG-CD1 4Å; L694-L1111 HydrophobicContact CD2-CB 4.05Å; L694-S1112 PolarHBondContact N-OG 3.32Å; L694-S1112 VanDerWaalsContact N-OG 3.12Å; L694-L1115 HydrophobicContact CB-CD1 4.19Å; L694-L1115 HydrophobicContact CD1-CD1 4.38Å; L694-L1115 HydrophobicContact CD2-CD1 4.08Å; L694-L1115 HydrophobicContact CG-CD1 4.46Å
695	Q	92	Very high	85.8	Confident	24 Å²	24	42.7 Å²	42.7	11%	0.112	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	145	-177.8	-63	-66.9	-33.5	0	0	111.1	T673 V674 V676 S693 A708 A712	T673-Q695 CarbonylContact C-O 3.57Å; T673-Q695 VanDerWaalsContact CA-O 3.3Å; T673-Q695 WeakPolarHBondContact CA-O 3.32Å; V674-Q695 HydrophobicContact CG1-CB 3.93Å; V674-Q695 PolarHBondContact N-O 3.14Å; V674-Q695 PolarHBondContact O-N 2.87Å; V676-Q695 HydrophobicContact CG2-CG 4.16Å; S693-Q695 PolarHBondContact OG-NE2 2.78Å; Q695-A708 HydrophobicContact CB-CB 3.79Å; Q695-A708 HydrophobicContact CG-CB 4.23Å; Q695-A712 HydrophobicContact CG-CB 4.12Å
696	E	89.1	Confident	86.9	Confident	98 Å²	98	43 Å²	43	46%	0.458	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.5	177.1	-179.5	173.5	-165.2	0	0	111	A671 R711 L1108	A671-E696 HydrophobicContact CB-CG 3.73Å; A671-E696 VanDerWaalsContact CB-OE1 3.24Å; A671-E696 WeakPolarHBondContact CB-OE1 3.43Å; E696-R711 PolarHBondContact O-NH1 2.99Å; E696-L1108 HydrophobicContact CB-CD1 4.36Å; E696-L1108 HydrophobicContact CB-CD2 3.76Å
697	L	85.8	Confident	87.6	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.8	178.5	-62.6	172.2	0	0	0	109.4	D672 V674 F699 S704 Y705 A708	D672-L697 HydrophobicContact CB-CB 3.94Å; D672-L697 HydrophobicContact CB-CD1 4.25Å; D672-L697 WeakPolarHBondContact O-CB 3.38Å; D672-L697 PolarHBondContact O-N 3.03Å; V674-L697 HydrophobicContact CB-CD1 4.13Å; V674-L697 HydrophobicContact CB-CG 4.45Å; V674-L697 HydrophobicContact CG1-CD1 4.28Å; V674-L697 HydrophobicContact CG1-CD2 3.98Å; V674-L697 HydrophobicContact CG1-CG 4.11Å; L697-F699 VanDerWaalsContact C-N 3.33Å; L697-F699 PolarHBondContact O-N 2.87Å; L697-S704 WeakPolarHBondContact CD2-O 3.42Å; L697-Y705 HydrophobicContact CD1-CD1 4.28Å; L697-Y705 HydrophobicContact CD1-CD2 4.44Å; L697-Y705 HydrophobicContact CD1-CE1 3.7Å; L697-Y705 HydrophobicContact CD1-CE2 3.85Å; L697-Y705 VanDerWaalsContact CD1-CZ 3.44Å; L697-Y705 HydrophobicContact CD2-CD1 4.27Å; L697-Y705 HydrophobicContact CD2-CD2 4.38Å; L697-Y705 HydrophobicContact CD2-CG 4.22Å; L697-A708 HydrophobicContact CD2-CB 3.97Å
698	G	74.1	Confident	87.9	Confident	59 Å²	59	39.4 Å²	39.4	61%	0.608	22%	0.224	S	C	*	.	S	Bend	trans	-66.9	-34.9	175.4	0	0	0	0	0	113
699	F	74.6	Confident	88	Confident	164 Å²	164	38.1 Å²	38.1	72%	0.719	21%	0.213	S	C	*	.	S	Bend	trans	-150.9	160.2	174.8	-59.9	-75.1	0	0	0	110	L697 S701 S704	L697-F699 VanDerWaalsContact C-N 3.33Å; L697-F699 PolarHBondContact O-N 2.87Å; F699-S701 PolarHBondContact O-N 3.4Å; F699-S704 WeakPolarHBondContact O-CB 3.37Å; F699-S704 PolarHBondContact O-OG 3.27Å
700	S	75	Confident	87.8	Confident	69 Å²	69	40.4 Å²	40.4	48%	0.483	22%	0.224	S	C	.	.	S	Bend	trans	-76.8	55.7	176.3	49.2	0	0	0	0	113.1
701	S	85	Confident	87.7	Confident	44 Å²	44	45.1 Å²	45.1	31%	0.308	24%	0.241	S	C	.	.	S	Bend	trans	-115	150.1	-177.8	84.5	0	0	0	0	112.8	F699 E703 S704 Y705	F699-S701 PolarHBondContact O-N 3.4Å; S701-E703 PolarHBondContact O-N 2.8Å; S701-S704 WeakPolarHBondContact O-CB 3.35Å; S701-S704 PolarHBondContact O-N 2.93Å; S701-S704 PolarHBondContact OG-N 2.79Å; S701-S704 PolarHBondContact OG-OG 2.88Å; S701-Y705 WeakPolarHBondContact O-CD2 3.38Å; S701-Y705 PolarHBondContact O-N 3.35Å
702	T	86.3	Confident	87.6	Confident	22 Å²	22	45.2 Å²	45.2	14%	0.135	24%	0.241	C	C	.	.	H	α-helix	trans	-49.9	-43.3	176.7	-55.1	0	0	0	0	112.4	Y705 L706 L740 S743 M744	T702-Y705 PolarHBondContact O-N 3.19Å; T702-L706 HydrophobicContact CG2-CD1 4.29Å; T702-L706 WeakPolarHBondContact O-CG 3.48Å; T702-L706 PolarHBondContact O-N 3.09Å; T702-L706 VanDerWaalsContact O-N 3.11Å; T702-L740 WeakPolarHBondContact OG1-CD1 3.23Å; T702-S743 VanDerWaalsContact OG1-CB 3.31Å; T702-S743 WeakPolarHBondContact OG1-CB 3.32Å; T702-S743 PolarHBondContact OG1-OG 2.94Å; T702-M744 HydrophobicContact CG2-CB 4.49Å; T702-M744 HydrophobicContact CG2-CG 3.96Å
703	E	88.1	Confident	87.3	Confident	105 Å²	105	45.2 Å²	45.2	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-40.4	178.2	-179.3	57.7	-155	0	0	112.2	S701 Y705 L706 Q707	S701-E703 PolarHBondContact O-N 2.8Å; E703-Y705 PolarHBondContact O-N 3.16Å; E703-L706 PolarHBondContact O-N 3.48Å; E703-Q707 WeakPolarHBondContact O-CG 3.39Å; E703-Q707 PolarHBondContact O-N 3.12Å; E703-Q707 PolarHBondContact OE1-NE2 3.43Å
704	S	89.2	Confident	87	Confident	17 Å²	17	48.3 Å²	48.3	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-36.4	178.2	-53.7	0	0	0	0	112.6	L697 F699 S701 A708	L697-S704 WeakPolarHBondContact CD2-O 3.42Å; F699-S704 WeakPolarHBondContact O-CB 3.37Å; F699-S704 PolarHBondContact O-OG 3.27Å; S701-S704 WeakPolarHBondContact O-CB 3.35Å; S701-S704 PolarHBondContact O-N 2.93Å; S701-S704 PolarHBondContact OG-N 2.79Å; S701-S704 PolarHBondContact OG-OG 2.88Å; S704-A708 WeakPolarHBondContact O-CB 3.44Å; S704-A708 PolarHBondContact O-N 2.86Å
705	Y	89.4	Confident	86.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-70.3	-35.3	173.3	-78.2	-89.2	0	0	0	112.6	L662 V674 L697 S701 T702 E703 A708 L709 I736 L740 M744	L662-Y705 HydrophobicContact CD1-CD1 4.31Å; V674-Y705 HydrophobicContact CB-CD1 4.39Å; V674-Y705 HydrophobicContact CB-CE1 4.05Å; V674-Y705 HydrophobicContact CG1-CD1 4.44Å; V674-Y705 HydrophobicContact CG2-CD1 4.18Å; V674-Y705 HydrophobicContact CG2-CE1 3.93Å; L697-Y705 HydrophobicContact CD1-CD1 4.28Å; L697-Y705 HydrophobicContact CD1-CD2 4.44Å; L697-Y705 HydrophobicContact CD1-CE1 3.7Å; L697-Y705 HydrophobicContact CD1-CE2 3.85Å; L697-Y705 VanDerWaalsContact CD1-CZ 3.44Å; L697-Y705 HydrophobicContact CD2-CD1 4.27Å; L697-Y705 HydrophobicContact CD2-CD2 4.38Å; L697-Y705 HydrophobicContact CD2-CG 4.22Å; S701-Y705 WeakPolarHBondContact O-CD2 3.38Å; S701-Y705 PolarHBondContact O-N 3.35Å; T702-Y705 PolarHBondContact O-N 3.19Å; E703-Y705 PolarHBondContact O-N 3.16Å; Y705-A708 PolarHBondContact O-N 3.13Å; Y705-L709 PolarHBondContact O-N 3.34Å; Y705-I736 HydrophobicContact CE1-CD1 3.93Å; Y705-I736 WeakPolarHBondContact OH-CG1 3.36Å; Y705-L740 HydrophobicContact CE2-CD2 4.03Å; Y705-M744 HydrophobicContact CD1-CE 3.78Å; Y705-M744 HydrophobicContact CD1-SD 4.36Å; Y705-M744 HydrophobicContact CD2-CE 4.35Å; Y705-M744 HydrophobicContact CD2-SD 3.97Å; Y705-M744 HydrophobicContact CG-CE 3.68Å; Y705-M744 HydrophobicContact CG-SD 3.9Å
706	L	88.6	Confident	86.1	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-64.6	-47.8	173.5	-70	168.9	0	0	0	111.1	T702 E703 A708 L709 D710 T747 I748	T702-L706 HydrophobicContact CG2-CD1 4.29Å; T702-L706 WeakPolarHBondContact O-CG 3.48Å; T702-L706 PolarHBondContact O-N 3.09Å; T702-L706 VanDerWaalsContact O-N 3.11Å; E703-L706 PolarHBondContact O-N 3.48Å; L706-A708 VanDerWaalsContact C-N 3.27Å; L706-A708 PolarHBondContact O-N 3.44Å; L706-L709 WeakPolarHBondContact O-CB 3.43Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-L709 VanDerWaalsContact O-N 3.12Å; L706-D710 PolarHBondContact O-N 3.12Å; L706-T747 HydrophobicContact CD1-CG2 3.65Å; L706-I748 HydrophobicContact CD2-CD1 4.27Å; L706-I748 HydrophobicContact CD2-CG1 3.51Å
707	Q	89.9	Confident	85.6	Confident	76 Å²	76	50.7 Å²	50.7	36%	0.355	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-33.2	175.7	-68	-179.9	17.9	0	0	112.7	E703 R711	E703-Q707 WeakPolarHBondContact O-CG 3.39Å; E703-Q707 PolarHBondContact O-N 3.12Å; E703-Q707 PolarHBondContact OE1-NE2 3.43Å; Q707-R711 WeakPolarHBondContact O-CB 3.23Å; Q707-R711 WeakPolarHBondContact O-CD 3.33Å; Q707-R711 WeakPolarHBondContact O-CG 3.42Å; Q707-R711 PolarHBondContact O-N 3.48Å
708	A	90.9	Very high	85.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-42.8	172.6	0	0	0	0	0	112.1	V674 Q695 L697 S704 Y705 L706 A712	V674-A708 HydrophobicContact CG1-CB 3.79Å; Q695-A708 HydrophobicContact CB-CB 3.79Å; Q695-A708 HydrophobicContact CG-CB 4.23Å; L697-A708 HydrophobicContact CD2-CB 3.97Å; S704-A708 WeakPolarHBondContact O-CB 3.44Å; S704-A708 PolarHBondContact O-N 2.86Å; Y705-A708 PolarHBondContact O-N 3.13Å; L706-A708 VanDerWaalsContact C-N 3.27Å; L706-A708 PolarHBondContact O-N 3.44Å; A708-A712 VanDerWaalsContact O-CB 3.32Å; A708-A712 WeakPolarHBondContact O-CB 3Å; A708-A712 PolarHBondContact O-N 2.89Å
709	L	90.4	Very high	85.4	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-51.4	172.2	-77.1	169.1	0	0	0	111.5	I660 L662 V676 Y705 L706 R711 A712 F713 L720 I748	I660-L709 HydrophobicContact CD1-CD2 4.42Å; I660-L709 HydrophobicContact CG2-CD2 3.75Å; L662-L709 HydrophobicContact CD1-CD1 4.27Å; L662-L709 HydrophobicContact CD1-CD2 4.4Å; L662-L709 HydrophobicContact CD1-CG 4.36Å; L662-L709 HydrophobicContact CD2-CD2 3.84Å; L662-L709 HydrophobicContact CD2-CG 4.38Å; L662-L709 HydrophobicContact CG-CD2 4.47Å; V676-L709 HydrophobicContact CG1-CD2 4.32Å; Y705-L709 PolarHBondContact O-N 3.34Å; L706-L709 WeakPolarHBondContact O-CB 3.43Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-L709 VanDerWaalsContact O-N 3.12Å; L709-R711 VanDerWaalsContact C-N 3.32Å; L709-R711 PolarHBondContact O-N 2.76Å; L709-A712 PolarHBondContact O-N 2.79Å; L709-A712 VanDerWaalsContact O-N 3.14Å; L709-F713 HydrophobicContact CD2-CE2 4.29Å; L709-F713 WeakPolarHBondContact O-CD2 3.49Å; L709-F713 PolarHBondContact O-N 2.77Å; L709-L720 HydrophobicContact CB-CD1 4.28Å; L709-I748 HydrophobicContact CD1-CD1 4.15Å
710	D	88.9	Confident	85.2	Confident	86 Å²	86	49.2 Å²	49.2	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-39.9	-177.9	-74.3	-33.4	0	0	0	111.7	L706 S714	L706-D710 PolarHBondContact O-N 3.12Å; D710-S714 WeakPolarHBondContact O-CB 3.39Å; D710-S714 PolarHBondContact O-N 2.74Å; D710-S714 PolarHBondContact O-OG 3.48Å
711	R	90.7	Very high	84.8	Confident	119 Å²	119	52.9 Å²	52.9	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-48	172.1	-71	167.7	-154.7	175.2	8.1	111.9	E696 Q707 L709 F713 S714 A715	E696-R711 PolarHBondContact O-NH1 2.99Å; Q707-R711 WeakPolarHBondContact O-CB 3.23Å; Q707-R711 WeakPolarHBondContact O-CD 3.33Å; Q707-R711 WeakPolarHBondContact O-CG 3.42Å; Q707-R711 PolarHBondContact O-N 3.48Å; L709-R711 VanDerWaalsContact C-N 3.32Å; L709-R711 PolarHBondContact O-N 2.76Å; R711-F713 PolarHBondContact O-N 3.3Å; R711-S714 PolarHBondContact O-N 3.34Å; R711-A715 WeakPolarHBondContact O-CB 3.36Å; R711-A715 PolarHBondContact O-N 2.64Å
712	A	91.2	Very high	83.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-42.9	-177.3	0	0	0	0	0	112.8	V676 L692 S693 Q695 A708 L709	V676-A712 HydrophobicContact CB-CB 4.41Å; V676-A712 HydrophobicContact CG1-CB 4.41Å; V676-A712 HydrophobicContact CG2-CB 4.08Å; L692-A712 HydrophobicContact CD2-CB 4.24Å; S693-A712 VanDerWaalsContact OG-CB 3.27Å; S693-A712 WeakPolarHBondContact OG-CB 3.48Å; Q695-A712 HydrophobicContact CG-CB 4.12Å; A708-A712 VanDerWaalsContact O-CB 3.32Å; A708-A712 WeakPolarHBondContact O-CB 3Å; A708-A712 PolarHBondContact O-N 2.89Å; L709-A712 PolarHBondContact O-N 2.79Å; L709-A712 VanDerWaalsContact O-N 3.14Å
713	F	88.3	Confident	82.2	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-78.9	-39.4	178	-79.1	-88.9	0	0	0	112.5	I660 V676 V678 L692 L709 R711 A715 L716 G717 I718 L720	I660-F713 HydrophobicContact CD1-CE2 3.75Å; I660-F713 HydrophobicContact CD1-CZ 3.75Å; I660-F713 HydrophobicContact CG1-CE2 4.28Å; I660-F713 HydrophobicContact CG1-CZ 3.97Å; V676-F713 HydrophobicContact CG1-CE2 4.48Å; V678-F713 HydrophobicContact CG1-CE1 4.34Å; V678-F713 HydrophobicContact CG1-CZ 3.83Å; L692-F713 HydrophobicContact CD2-CD1 4.41Å; L692-F713 HydrophobicContact CD2-CD2 4.11Å; L692-F713 HydrophobicContact CD2-CE1 4.14Å; L692-F713 HydrophobicContact CD2-CE2 3.79Å; L692-F713 HydrophobicContact CD2-CG 4.41Å; L692-F713 HydrophobicContact CD2-CZ 3.81Å; L709-F713 HydrophobicContact CD2-CE2 4.29Å; L709-F713 WeakPolarHBondContact O-CD2 3.49Å; L709-F713 PolarHBondContact O-N 2.77Å; R711-F713 PolarHBondContact O-N 3.3Å; F713-A715 VanDerWaalsContact C-N 3.31Å; F713-A715 PolarHBondContact O-N 3.2Å; F713-L716 PolarHBondContact O-N 3.21Å; F713-G717 PolarHBondContact O-N 2.94Å; F713-I718 CarbonylContact C-O 3.53Å; F713-I718 WeakPolarHBondContact CB-O 3.45Å; F713-I718 HydrophobicContact CD1-CB 4.21Å; F713-I718 HydrophobicContact CD1-CG2 3.94Å; F713-I718 PolarHBondContact O-N 3.38Å; F713-I718 VanDerWaalsContact O-N 3.12Å; F713-L720 HydrophobicContact CB-CD1 4.38Å; F713-L720 HydrophobicContact CB-CG 4.21Å; F713-L720 HydrophobicContact CD1-CD2 4.42Å; F713-L720 HydrophobicContact CD1-CG 4.43Å; F713-L720 HydrophobicContact CD2-CD1 4.02Å; F713-L720 HydrophobicContact CD2-CD2 3.87Å; F713-L720 HydrophobicContact CD2-CG 3.95Å; F713-L720 HydrophobicContact CE1-CD2 4.42Å; F713-L720 HydrophobicContact CE2-CD2 3.89Å; F713-L720 HydrophobicContact CE2-CG 4.47Å; F713-L720 HydrophobicContact CG-CD1 4.31Å; F713-L720 HydrophobicContact CG-CD2 4.15Å; F713-L720 HydrophobicContact CG-CG 3.93Å; F713-L720 HydrophobicContact CZ-CD2 4.16Å
714	S	87.3	Confident	81.3	Confident	78 Å²	78	54.8 Å²	54.8	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-34.2	178	-60.8	0	0	0	0	112.9	D710 R711 L716 G717	D710-S714 WeakPolarHBondContact O-CB 3.39Å; D710-S714 PolarHBondContact O-N 2.74Å; D710-S714 PolarHBondContact O-OG 3.48Å; R711-S714 PolarHBondContact O-N 3.34Å; S714-L716 PolarHBondContact O-N 3.21Å; S714-L716 VanDerWaalsContact O-N 3.16Å; S714-G717 PolarHBondContact O-N 2.87Å
715	A	84.4	Confident	80.7	Confident	85 Å²	85	54.6 Å²	54.6	70%	0.702	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.4	174.5	0	0	0	0	0	113.5	R711 F713	R711-A715 WeakPolarHBondContact O-CB 3.36Å; R711-A715 PolarHBondContact O-N 2.64Å; F713-A715 VanDerWaalsContact C-N 3.31Å; F713-A715 PolarHBondContact O-N 3.2Å
716	L	80.4	Confident	80.7	Confident	33 Å²	33	54.7 Å²	54.7	17%	0.173	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	2.9	177	-59.5	177.4	0	0	0	112.9	R645 V649 L692 F713 S714 I718	R645-L716 HydrophobicContact CB-CD2 4.23Å; V649-L716 HydrophobicContact CG2-CB 3.79Å; V649-L716 HydrophobicContact CG2-CD1 3.98Å; V649-L716 HydrophobicContact CG2-CD2 3.9Å; V649-L716 HydrophobicContact CG2-CG 4.1Å; L692-L716 HydrophobicContact CD1-CD1 3.39Å; L692-L716 HydrophobicContact CD2-CD1 4.31Å; L692-L716 HydrophobicContact CG-CD1 3.81Å; F713-L716 PolarHBondContact O-N 3.21Å; S714-L716 PolarHBondContact O-N 3.21Å; S714-L716 VanDerWaalsContact O-N 3.16Å; L716-I718 HydrophobicContact CB-CD1 4.32Å; L716-I718 HydrophobicContact CB-CG1 4.27Å; L716-I718 PolarHBondContact O-N 3.36Å
717	G	79.1	Confident	80.7	Confident	57 Å²	57	53.2 Å²	53.2	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	17.6	-173.9	0	0	0	0	0	114	F713 S714	F713-G717 PolarHBondContact O-N 2.94Å; S714-G717 PolarHBondContact O-N 2.87Å
718	I	79.3	Confident	80.7	Confident	7 Å²	7	49.6 Å²	49.6	4%	0.036	27%	0.267	C	S	.	.			trans	-98.9	131.6	176.9	-58.6	176.2	0	0	0	108	V649 I652 F713 L716	V649-I718 HydrophobicContact CG1-CD1 4.36Å; V649-I718 HydrophobicContact CG2-CD1 4.27Å; I652-I718 HydrophobicContact CD1-CD1 4.43Å; I652-I718 HydrophobicContact CG2-CD1 4.24Å; F713-I718 CarbonylContact C-O 3.53Å; F713-I718 WeakPolarHBondContact CB-O 3.45Å; F713-I718 HydrophobicContact CD1-CB 4.21Å; F713-I718 HydrophobicContact CD1-CG2 3.94Å; F713-I718 PolarHBondContact O-N 3.38Å; F713-I718 VanDerWaalsContact O-N 3.12Å; L716-I718 HydrophobicContact CB-CD1 4.32Å; L716-I718 HydrophobicContact CB-CG1 4.27Å; L716-I718 PolarHBondContact O-N 3.36Å
719	R	76.6	Confident	80.8	Confident	158 Å²	158	49.8 Å²	49.8	60%	0.596	27%	0.268	S	S	*	.			trans	-100.5	130.5	167.5	-70.4	-173.5	-72.8	127.9	9.6	109.2	Q721 D722	R719-Q721 PolarHBondContact O-N 3.28Å; R719-D722 HydrophobicContact CB-CB 4.17Å; R719-D722 WeakPolarHBondContact CB-OD2 3.43Å; R719-D722 IonicContact CZ-OD1 3.98Å; R719-D722 IonicContact CZ-OD2 2.66Å; R719-D722 IonicContact NE-OD2 3.43Å; R719-D722 IonicContact NH1-OD1 2.76Å; R719-D722 PolarHBondContact NH1-OD1 3.28Å; R719-D722 IonicContact NH1-OD2 3.63Å; R719-D722 PolarHBondContact NH1-OD2 3.47Å; R719-D722 IonicContact NH2-OD1 3.84Å; R719-D722 PolarHBondContact NH2-OD1 3.01Å; R719-D722 IonicContact NH2-OD2 3.3Å; R719-D722 PolarHBondContact O-N 3.09Å; R719-D722 VanDerWaalsContact O-N 3.16Å
720	L	70.1	Confident	80.8	Confident	30 Å²	30	49.4 Å²	49.4	16%	0.157	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.8	-177.6	-84	151.5	0	0	0	114.8	I660 L709 F713	I660-L720 HydrophobicContact CD1-CD2 3.5Å; L709-L720 HydrophobicContact CB-CD1 4.28Å; F713-L720 HydrophobicContact CB-CD1 4.38Å; F713-L720 HydrophobicContact CB-CG 4.21Å; F713-L720 HydrophobicContact CD1-CD2 4.42Å; F713-L720 HydrophobicContact CD1-CG 4.43Å; F713-L720 HydrophobicContact CD2-CD1 4.02Å; F713-L720 HydrophobicContact CD2-CD2 3.87Å; F713-L720 HydrophobicContact CD2-CG 3.95Å; F713-L720 HydrophobicContact CE1-CD2 4.42Å; F713-L720 HydrophobicContact CE2-CD2 3.89Å; F713-L720 HydrophobicContact CE2-CG 4.47Å; F713-L720 HydrophobicContact CG-CD1 4.31Å; F713-L720 HydrophobicContact CG-CD2 4.15Å; F713-L720 HydrophobicContact CG-CG 3.93Å; F713-L720 HydrophobicContact CZ-CD2 4.16Å
721	Q	66.1	Low	80.8	Confident	146 Å²	146	45.4 Å²	45.4	68%	0.682	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-21.7	-176.7	-58.1	179.6	24.2	0	0	114	R719 T751	R719-Q721 PolarHBondContact O-N 3.28Å; Q721-T751 HydrophobicContact CG-CG2 3.94Å
722	D	59.8	Low	80.5	Confident	82 Å²	82	40 Å²	40	44%	0.439	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-32.9	-156.7	-67.1	-106.1	0	0	0	116	R719	R719-D722 HydrophobicContact CB-CB 4.17Å; R719-D722 WeakPolarHBondContact CB-OD2 3.43Å; R719-D722 IonicContact CZ-OD1 3.98Å; R719-D722 IonicContact CZ-OD2 2.66Å; R719-D722 IonicContact NE-OD2 3.43Å; R719-D722 IonicContact NH1-OD1 2.76Å; R719-D722 PolarHBondContact NH1-OD1 3.28Å; R719-D722 IonicContact NH1-OD2 3.63Å; R719-D722 PolarHBondContact NH1-OD2 3.47Å; R719-D722 IonicContact NH2-OD1 3.84Å; R719-D722 PolarHBondContact NH2-OD1 3.01Å; R719-D722 IonicContact NH2-OD2 3.3Å; R719-D722 PolarHBondContact O-N 3.09Å; R719-D722 VanDerWaalsContact O-N 3.16Å
723	E	58.6	Low	79.7	Confident	85 Å²	85	40.2 Å²	40.2	40%	0.397	23%	0.227	S	C	.	.	S	Bend	trans	-92	-45.1	-176	-68.3	-164.9	-176.4	0	0	112.8	R653	R653-E723 WeakPolarHBondContact CG-OE2 3.43Å; R653-E723 IonicContact CZ-OE1 3.11Å; R653-E723 IonicContact CZ-OE2 3.09Å; R653-E723 IonicContact NE-OE1 2.66Å; R653-E723 PolarHBondContact NE-OE1 3.22Å; R653-E723 IonicContact NE-OE2 3.25Å; R653-E723 PolarHBondContact NE-OE2 3.32Å; R653-E723 IonicContact NH2-OE1 2.73Å; R653-E723 PolarHBondContact NH2-OE1 3.49Å; R653-E723 IonicContact NH2-OE2 2.66Å
724	K	68.4	Low	78.6	Confident	44 Å²	44	41.4 Å²	41.4	19%	0.191	24%	0.237	C	C	.	.	S	Bend	trans	-151.4	152.8	-165.9	-64.4	-164.8	175.9	-165.5	0	114.6	I652 R653 S655 L658 T726	I652-K724 WeakPolarHBondContact O-CD 3.5Å; I652-K724 WeakPolarHBondContact O-CE 3.28Å; I652-K724 PolarHBondContact O-NZ 2.68Å; R653-K724 PolarHBondContact O-NZ 3.14Å; S655-K724 VanDerWaalsContact O-CD 3.27Å; S655-K724 WeakPolarHBondContact O-CD 3.43Å; S655-K724 WeakPolarHBondContact O-CE 3.37Å; S655-K724 PolarHBondContact O-NZ 3.27Å; L658-K724 HydrophobicContact CD2-CB 4.13Å; K724-T726 PolarHBondContact O-N 2.87Å
725	P	77.1	Confident	77.7	Confident	12 Å²	12	38.9 Å²	38.9	8%	0.078	22%	0.217	C	C	.	.			trans	-69	114.9	172.9	31.3	-36.5	0	0	0	110.5	C657 L658 V727 I1019 T1021	C657-P725 HydrophobicContact CB-CG 4.06Å; L658-P725 PolarHBondContact N-O 3.41Å; L658-P725 VanDerWaalsContact N-O 3.16Å; P725-V727 HydrophobicContact CB-CG1 4.16Å; P725-I1019 HydrophobicContact CB-CG2 3.57Å; P725-I1019 HydrophobicContact CG-CG2 4.26Å; P725-T1021 WeakPolarHBondContact CG-OG1 3.4Å
726	T	87.7	Confident	77.4	Confident	4 Å²	4	34.9 Å²	34.9	3%	0.025	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	121.3	157.6	-55.9	0	0	0	0	107.6	L658 I660 K724 L752 W754 L755	L658-T726 HydrophobicContact CD1-CG2 4Å; L658-T726 WeakPolarHBondContact CD1-OG1 3.24Å; L658-T726 CarbonylContact O-C 3.57Å; L658-T726 VanDerWaalsContact O-CA 3.28Å; L658-T726 WeakPolarHBondContact O-CA 3.38Å; I660-T726 HydrophobicContact CD1-CG2 3.82Å; I660-T726 HydrophobicContact CG1-CG2 3.95Å; K724-T726 PolarHBondContact O-N 2.87Å; T726-L752 HydrophobicContact CG2-CD1 4.29Å; T726-W754 PolarHBondContact O-NE1 2.79Å; T726-L755 HydrophobicContact CG2-CD1 3.92Å
727	V	89.3	Confident	77.4	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-34.5	-172.9	-65.2	0	0	0	0	113.5	C657 L658 P725 L756 I1019 V1077 V1080 L1081	C657-V727 HydrophobicContact CB-CG1 3.96Å; C657-V727 HydrophobicContact CB-CG2 4.09Å; L658-V727 WeakPolarHBondContact O-CG2 3.36Å; L658-V727 PolarHBondContact O-N 3Å; P725-V727 HydrophobicContact CB-CG1 4.16Å; V727-L756 WeakPolarHBondContact O-CB 3.45Å; V727-L756 PolarHBondContact O-N 3.13Å; V727-I1019 HydrophobicContact CG1-CD1 3.97Å; V727-V1077 HydrophobicContact CB-CG1 4.12Å; V727-V1077 HydrophobicContact CG1-CG1 4.37Å; V727-V1077 HydrophobicContact CG2-CG1 4.11Å; V727-V1080 HydrophobicContact CG2-CG1 4.13Å; V727-L1081 HydrophobicContact CG2-CD2 4.4Å
728	G	91.3	Very high	77.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.4	179	0	0	0	0	0	113.8	S659 I660 L756	S659-G728 CarbonylContact C-O 3.17Å; S659-G728 WeakPolarHBondContact CA-O 3.41Å; S659-G728 VanDerWaalsContact CB-O 3.27Å; S659-G728 WeakPolarHBondContact CB-O 3.38Å; S659-G728 VanDerWaalsContact OG-CA 3.24Å; S659-G728 WeakPolarHBondContact OG-CA 3.5Å; S659-G728 PolarHBondContact OG-N 3.33Å; S659-G728 VanDerWaalsContact OG-N 3.13Å; I660-G728 PolarHBondContact N-O 3.14Å; G728-L756 CarbonylContact C-O 3.53Å; G728-L756 WeakPolarHBondContact CA-O 3.35Å
729	L	92.4	Very high	77.6	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.4	172.1	175	64.4	0	0	0	110.4	I660 V731 F745 I748 L755 L756 C757 L758	I660-L729 HydrophobicContact CB-CD1 4.26Å; I660-L729 HydrophobicContact CG2-CD1 4.45Å; I660-L729 WeakPolarHBondContact O-CA 3.49Å; L729-V731 HydrophobicContact CD1-CG2 3.85Å; L729-V731 HydrophobicContact CD2-CG2 4.19Å; L729-V731 HydrophobicContact CG-CG2 3.88Å; L729-F745 HydrophobicContact CD2-CD1 3.79Å; L729-F745 HydrophobicContact CD2-CE1 3.96Å; L729-F745 HydrophobicContact CG-CE1 4.23Å; L729-I748 HydrophobicContact CD2-CD1 3.54Å; L729-L755 HydrophobicContact CB-CD1 4.08Å; L729-L755 HydrophobicContact CB-CD2 3.92Å; L729-L755 HydrophobicContact CB-CG 4.1Å; L729-L755 HydrophobicContact CD2-CD2 3.98Å; L729-L756 PolarHBondContact N-O 2.79Å; L729-C757 WeakPolarHBondContact O-CA 3.22Å; L729-L758 PolarHBondContact O-N 3.06Å; L729-L758 VanDerWaalsContact O-N 3.08Å
730	G	90.9	Very high	78	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.4	168.8	0	0	0	0	0	110.6	I660 I661 L662	I660-G730 PolarHBondContact O-N 2.9Å; I661-G730 WeakPolarHBondContact CA-O 3.49Å; L662-G730 PolarHBondContact N-O 3.12Å
731	V	88.6	Confident	78.8	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	111.7	-178.8	-178.2	0	0	0	0	110.5	L662 L729 I736 R741 M744 F745	L662-V731 HydrophobicContact CB-CG1 4.5Å; L662-V731 HydrophobicContact CB-CG2 4.29Å; L662-V731 HydrophobicContact CD1-CG2 4.26Å; L729-V731 HydrophobicContact CD1-CG2 3.85Å; L729-V731 HydrophobicContact CD2-CG2 4.19Å; L729-V731 HydrophobicContact CG-CG2 3.88Å; V731-I736 HydrophobicContact CG1-CD1 3.48Å; V731-I736 VanDerWaalsContact CG1-CD1 3.48Å; V731-I736 HydrophobicContact CG1-CG2 4.01Å; V731-R741 PolarHBondContact O-NE 3Å; V731-M744 HydrophobicContact CG1-CE 3.93Å; V731-M744 HydrophobicContact CG1-SD 4.4Å; V731-M744 HydrophobicContact CG2-CE 4.18Å; V731-F745 HydrophobicContact CB-CE1 4.12Å; V731-F745 HydrophobicContact CG2-CE1 3.77Å
732	D	84	Confident	79.8	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.032	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.6	174.2	-167.5	32.7	0	0	0	110.9	L662 D663 G664 I736 F760 M761 V762 R974	L662-D732 PolarHBondContact O-N 3.04Å; D663-D732 WeakPolarHBondContact CA-O 3.4Å; G664-D732 PolarHBondContact N-O 3.46Å; D732-I736 WeakPolarHBondContact O-CD1 3.38Å; D732-F760 HydrophobicContact CB-CD1 4.09Å; D732-M761 WeakPolarHBondContact OD2-CA 3Å; D732-V762 HydrophobicContact CB-CG2 4.12Å; D732-V762 PolarHBondContact OD2-N 2.91Å; D732-R974 IonicContact OD1-CZ 3.23Å; D732-R974 IonicContact OD1-NH1 3.2Å; D732-R974 PolarHBondContact OD1-NH1 3Å; D732-R974 IonicContact OD1-NH2 3.42Å; D732-R974 PolarHBondContact OD1-NH2 3.2Å
733	G	74.1	Confident	81.1	Confident	5 Å²	5	24.1 Å²	24.1	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	145.7	-179.5	0	0	0	0	0	112.2	G664 N735 I736	G664-G733 WeakPolarHBondContact O-CA 3.36Å; G733-N735 PolarHBondContact O-N 3.38Å; G733-N735 VanDerWaalsContact O-N 3.16Å; G733-I736 PolarHBondContact O-N 3.34Å
734	A	64.9	Low	82.5	Confident	28 Å²	28	20.2 Å²	20.2	23%	0.231	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.1	-171.7	0	0	0	0	0	114.1	L767 R826	A734-L767 HydrophobicContact CB-CD1 4.14Å; A734-R826 PolarHBondContact O-NH2 2.74Å
735	N	68.8	Low	83.5	Confident	25 Å²	25	18.6 Å²	18.6	13%	0.134	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.9	174.7	-75.6	8.5	0	0	0	113.9	S666 D672 G733 T737 R826	S666-N735 WeakPolarHBondContact CB-ND2 3.3Å; S666-N735 WeakPolarHBondContact CB-OD1 3.48Å; S666-N735 VanDerWaalsContact OG-CG 3.25Å; S666-N735 PolarHBondContact OG-OD1 3Å; D672-N735 PolarHBondContact OD1-ND2 3.29Å; D672-N735 PolarHBondContact OD2-ND2 2.99Å; G733-N735 PolarHBondContact O-N 3.38Å; G733-N735 VanDerWaalsContact O-N 3.16Å; N735-T737 PolarHBondContact O-N 2.63Å; N735-R826 PolarHBondContact OD1-NH1 2.77Å; N735-R826 PolarHBondContact OD1-NH2 2.75Å
736	I	78.9	Confident	84	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	15%	0.153	C	C	.	.			trans	-96.2	95.3	-170.8	-50.1	-172.2	0	0	0	110.5	Y705 V731 D732 G733 L740 R741	Y705-I736 HydrophobicContact CE1-CD1 3.93Å; Y705-I736 WeakPolarHBondContact OH-CG1 3.36Å; V731-I736 HydrophobicContact CG1-CD1 3.48Å; V731-I736 VanDerWaalsContact CG1-CD1 3.48Å; V731-I736 HydrophobicContact CG1-CG2 4.01Å; D732-I736 WeakPolarHBondContact O-CD1 3.38Å; G733-I736 PolarHBondContact O-N 3.34Å; I736-L740 HydrophobicContact CG2-CD2 4.43Å; I736-L740 HydrophobicContact CG2-CG 4.43Å; I736-R741 HydrophobicContact CG2-CB 4.05Å; I736-R741 PolarHBondContact O-NH2 3.31Å; I736-R741 VanDerWaalsContact O-NH2 3.08Å
737	T	79.6	Confident	84.1	Confident	55 Å²	55	25.7 Å²	25.7	34%	0.337	16%	0.163	S	C	.	.			trans	-68.7	154.8	173.3	65.5	0	0	0	0	111.9	N735 S739 L740 R741	N735-T737 PolarHBondContact O-N 2.63Å; T737-S739 PolarHBondContact O-N 3.09Å; T737-S739 PolarHBondContact OG1-OG 2.9Å; T737-L740 PolarHBondContact O-N 3.44Å; T737-L740 WeakPolarHBondContact OG1-CB 3.46Å; T737-L740 PolarHBondContact OG1-N 3.13Å; T737-R741 PolarHBondContact O-N 3.35Å
738	A	80.6	Confident	84.1	Confident	21 Å²	21	26.3 Å²	26.3	17%	0.174	17%	0.166	C	C	.	.	H	α-helix	trans	-53.9	-36	175.8	0	0	0	0	0	113.5	A742 E768	A738-A742 VanDerWaalsContact O-CB 3.29Å; A738-A742 WeakPolarHBondContact O-CB 3.41Å; A738-A742 PolarHBondContact O-N 3.44Å; A738-E768 WeakPolarHBondContact CA-OE1 3.4Å; A738-E768 PolarHBondContact N-OE1 3.03Å
739	S	82.6	Confident	83.9	Confident	92 Å²	92	27.8 Å²	27.8	64%	0.643	17%	0.172	S	C	*	.	H	α-helix	trans	-70.8	-38.5	176.5	53.9	0	0	0	0	113	T737 S743	T737-S739 PolarHBondContact O-N 3.09Å; T737-S739 PolarHBondContact OG1-OG 2.9Å; S739-S743 WeakPolarHBondContact O-CB 3.45Å; S739-S743 PolarHBondContact O-N 2.9Å
740	L	85.1	Confident	83.7	Confident	17 Å²	17	35.3 Å²	35.3	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-46.2	173	179	59	0	0	0	110.9	T702 Y705 I736 T737 A742 S743 M744	T702-L740 WeakPolarHBondContact OG1-CD1 3.23Å; Y705-L740 HydrophobicContact CE2-CD2 4.03Å; I736-L740 HydrophobicContact CG2-CD2 4.43Å; I736-L740 HydrophobicContact CG2-CG 4.43Å; T737-L740 PolarHBondContact O-N 3.44Å; T737-L740 WeakPolarHBondContact OG1-CB 3.46Å; T737-L740 PolarHBondContact OG1-N 3.13Å; L740-A742 PolarHBondContact O-N 2.95Å; L740-S743 WeakPolarHBondContact O-CB 3.4Å; L740-S743 PolarHBondContact O-N 3.15Å; L740-S743 VanDerWaalsContact O-N 3.14Å; L740-M744 HydrophobicContact CD1-CG 4.4Å; L740-M744 HydrophobicContact CD1-SD 4.37Å; L740-M744 HydrophobicContact CG-SD 4.14Å; L740-M744 WeakPolarHBondContact O-CG 3.5Å; L740-M744 PolarHBondContact O-N 2.86Å
741	R	87.1	Confident	83.4	Confident	6 Å²	6	38.7 Å²	38.7	2%	0.023	23%	0.225	C	C	.	.	H	α-helix	trans	-55.7	-49.1	175.4	-171.7	-177.2	-63.5	104.2	6.2	111.6	V731 I736 T737 S743 M744 F745 E768	V731-R741 PolarHBondContact O-NE 3Å; I736-R741 HydrophobicContact CG2-CB 4.05Å; I736-R741 PolarHBondContact O-NH2 3.31Å; I736-R741 VanDerWaalsContact O-NH2 3.08Å; T737-R741 PolarHBondContact O-N 3.35Å; R741-S743 PolarHBondContact O-N 2.89Å; R741-M744 PolarHBondContact O-N 2.87Å; R741-F745 HydrophobicContact CG-CD2 4.24Å; R741-F745 HydrophobicContact CG-CE1 4.02Å; R741-F745 HydrophobicContact CG-CE2 3.64Å; R741-F745 HydrophobicContact CG-CZ 3.51Å; R741-F745 VanDerWaalsContact O-CG 3.28Å; R741-F745 WeakPolarHBondContact O-CG 3.28Å; R741-F745 PolarHBondContact O-N 2.87Å; R741-E768 IonicContact CZ-OE1 2.73Å; R741-E768 IonicContact CZ-OE2 2.94Å; R741-E768 IonicContact NH1-OE1 3.04Å; R741-E768 PolarHBondContact NH1-OE1 3.05Å; R741-E768 IonicContact NH1-OE2 3.85Å; R741-E768 PolarHBondContact NH1-OE2 2.96Å; R741-E768 IonicContact NH2-OE1 2.69Å; R741-E768 IonicContact NH2-OE2 3.53Å; R741-E768 PolarHBondContact NH2-OE2 3.23Å
742	A	85.6	Confident	83.3	Confident	49 Å²	49	39.2 Å²	39.2	41%	0.405	23%	0.228	S	C	.	.	H	α-helix	trans	-62.8	-39.9	176.4	0	0	0	0	0	112.4	A738 L740 F745 M746	A738-A742 VanDerWaalsContact O-CB 3.29Å; A738-A742 WeakPolarHBondContact O-CB 3.41Å; A738-A742 PolarHBondContact O-N 3.44Å; L740-A742 PolarHBondContact O-N 2.95Å; A742-F745 PolarHBondContact O-N 3.07Å; A742-M746 WeakPolarHBondContact O-CB 3.23Å; A742-M746 VanDerWaalsContact O-CG 3.24Å; A742-M746 WeakPolarHBondContact O-CG 3.43Å; A742-M746 PolarHBondContact O-N 3.5Å
743	S	88.3	Confident	83.5	Confident	48 Å²	48	42.1 Å²	42.1	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-63	-42.2	175.4	-174.5	0	0	0	0	112.4	T702 S739 L740 R741 T747	T702-S743 VanDerWaalsContact OG1-CB 3.31Å; T702-S743 WeakPolarHBondContact OG1-CB 3.32Å; T702-S743 PolarHBondContact OG1-OG 2.94Å; S739-S743 WeakPolarHBondContact O-CB 3.45Å; S739-S743 PolarHBondContact O-N 2.9Å; L740-S743 WeakPolarHBondContact O-CB 3.4Å; L740-S743 PolarHBondContact O-N 3.15Å; L740-S743 VanDerWaalsContact O-N 3.14Å; R741-S743 PolarHBondContact O-N 2.89Å; S743-T747 WeakPolarHBondContact O-CB 3.39Å; S743-T747 PolarHBondContact O-N 3.07Å; S743-T747 PolarHBondContact O-OG1 2.98Å
744	M	87.9	Confident	84.2	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-51.5	174.2	-70	170	62.8	0	0	111.5	L662 T702 Y705 V731 L740 R741 M746 T747 I748	L662-M744 HydrophobicContact CD1-CE 3.71Å; T702-M744 HydrophobicContact CG2-CB 4.49Å; T702-M744 HydrophobicContact CG2-CG 3.96Å; Y705-M744 HydrophobicContact CD1-CE 3.78Å; Y705-M744 HydrophobicContact CD1-SD 4.36Å; Y705-M744 HydrophobicContact CD2-CE 4.35Å; Y705-M744 HydrophobicContact CD2-SD 3.97Å; Y705-M744 HydrophobicContact CG-CE 3.68Å; Y705-M744 HydrophobicContact CG-SD 3.9Å; V731-M744 HydrophobicContact CG1-CE 3.93Å; V731-M744 HydrophobicContact CG1-SD 4.4Å; V731-M744 HydrophobicContact CG2-CE 4.18Å; L740-M744 HydrophobicContact CD1-CG 4.4Å; L740-M744 HydrophobicContact CD1-SD 4.37Å; L740-M744 HydrophobicContact CG-SD 4.14Å; L740-M744 WeakPolarHBondContact O-CG 3.5Å; L740-M744 PolarHBondContact O-N 2.86Å; R741-M744 PolarHBondContact O-N 2.87Å; M744-M746 VanDerWaalsContact C-N 3.35Å; M744-M746 PolarHBondContact O-N 3.29Å; M744-T747 PolarHBondContact O-N 3.4Å; M744-T747 VanDerWaalsContact O-N 3.15Å; M744-I748 WeakPolarHBondContact O-CG1 3.5Å; M744-I748 PolarHBondContact O-N 3.33Å
745	F	88.8	Confident	85.4	Confident	11 Å²	11	42.5 Å²	42.5	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-57	-46.5	177.7	-66.3	-11.6	0	0	0	111.9	L729 V731 R741 A742 T747 R749 C757	L729-F745 HydrophobicContact CD2-CD1 3.79Å; L729-F745 HydrophobicContact CD2-CE1 3.96Å; L729-F745 HydrophobicContact CG-CE1 4.23Å; V731-F745 HydrophobicContact CB-CE1 4.12Å; V731-F745 HydrophobicContact CG2-CE1 3.77Å; R741-F745 HydrophobicContact CG-CD2 4.24Å; R741-F745 HydrophobicContact CG-CE1 4.02Å; R741-F745 HydrophobicContact CG-CE2 3.64Å; R741-F745 HydrophobicContact CG-CZ 3.51Å; R741-F745 VanDerWaalsContact O-CG 3.28Å; R741-F745 WeakPolarHBondContact O-CG 3.28Å; R741-F745 PolarHBondContact O-N 2.87Å; A742-F745 PolarHBondContact O-N 3.07Å; F745-T747 VanDerWaalsContact C-N 3.32Å; F745-T747 PolarHBondContact O-N 3.36Å; F745-R749 VanDerWaalsContact O-CB 3.26Å; F745-R749 WeakPolarHBondContact O-CB 3.47Å; F745-R749 WeakPolarHBondContact O-CD 3.45Å; F745-R749 WeakPolarHBondContact O-CG 3.44Å; F745-R749 PolarHBondContact O-N 3.36Å; F745-R749 VanDerWaalsContact O-N 3.11Å; F745-C757 HydrophobicContact CB-CB 4.5Å; F745-C757 HydrophobicContact CD1-CB 3.87Å; F745-C757 VanDerWaalsContact CD1-SG 3.6Å; F745-C757 HydrophobicContact CD2-CB 3.62Å; F745-C757 HydrophobicContact CE1-CB 3.86Å; F745-C757 HydrophobicContact CE2-CB 3.61Å; F745-C757 HydrophobicContact CG-CB 3.75Å; F745-C757 VanDerWaalsContact CG-SG 3.57Å; F745-C757 HydrophobicContact CZ-CB 3.73Å
746	M	87.9	Confident	86.6	Confident	127 Å²	127	41.4 Å²	41.4	63%	0.626	24%	0.235	S	C	*	.	H	α-helix	trans	-68.8	-26.7	179.2	-71	-66.7	-77.1	0	0	113.6	A742 M744	A742-M746 WeakPolarHBondContact O-CB 3.23Å; A742-M746 VanDerWaalsContact O-CG 3.24Å; A742-M746 WeakPolarHBondContact O-CG 3.43Å; A742-M746 PolarHBondContact O-N 3.5Å; M744-M746 VanDerWaalsContact C-N 3.35Å; M744-M746 PolarHBondContact O-N 3.29Å
747	T	90.2	Very high	87.1	Confident	38 Å²	38	41.3 Å²	41.3	23%	0.233	24%	0.235	C	C	.	.	H	α-helix	trans	-84.9	-45.8	179.1	-53.8	0	0	0	0	111.5	L706 S743 M744 F745 R749 K750	L706-T747 HydrophobicContact CD1-CG2 3.65Å; S743-T747 WeakPolarHBondContact O-CB 3.39Å; S743-T747 PolarHBondContact O-N 3.07Å; S743-T747 PolarHBondContact O-OG1 2.98Å; M744-T747 PolarHBondContact O-N 3.4Å; M744-T747 VanDerWaalsContact O-N 3.15Å; F745-T747 VanDerWaalsContact C-N 3.32Å; F745-T747 PolarHBondContact O-N 3.36Å; T747-R749 PolarHBondContact O-N 2.99Å; T747-K750 WeakPolarHBondContact O-CB 3.34Å; T747-K750 PolarHBondContact O-N 3.28Å
748	I	87.9	Confident	87.6	Confident	16 Å²	16	38.8 Å²	38.8	8%	0.082	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-35.7	176.3	-60.9	166.1	0	0	0	110.5	L706 L709 L729 M744 K750 T751 L752 L755	L706-I748 HydrophobicContact CD2-CD1 4.27Å; L706-I748 HydrophobicContact CD2-CG1 3.51Å; L709-I748 HydrophobicContact CD1-CD1 4.15Å; L729-I748 HydrophobicContact CD2-CD1 3.54Å; M744-I748 WeakPolarHBondContact O-CG1 3.5Å; M744-I748 PolarHBondContact O-N 3.33Å; I748-K750 PolarHBondContact O-N 2.97Å; I748-T751 WeakPolarHBondContact O-CA 3.12Å; I748-T751 WeakPolarHBondContact O-CB 3.24Å; I748-T751 PolarHBondContact O-N 3.47Å; I748-L752 HydrophobicContact CG2-CD1 4.12Å; I748-L752 PolarHBondContact O-N 3.09Å; I748-L755 HydrophobicContact CB-CD2 4.22Å; I748-L755 HydrophobicContact CG2-CD2 3.42Å; I748-L755 VanDerWaalsContact CG2-CD2 3.42Å
749	R	87.4	Confident	87.8	Confident	31 Å²	31	38 Å²	38	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-67	-14.2	175.7	-79	172.7	167.5	177.7	-3.5	115.8	F745 T747 T751 L752 P753 L755 D976 S979	F745-R749 VanDerWaalsContact O-CB 3.26Å; F745-R749 WeakPolarHBondContact O-CB 3.47Å; F745-R749 WeakPolarHBondContact O-CD 3.45Å; F745-R749 WeakPolarHBondContact O-CG 3.44Å; F745-R749 PolarHBondContact O-N 3.36Å; F745-R749 VanDerWaalsContact O-N 3.11Å; T747-R749 PolarHBondContact O-N 2.99Å; R749-T751 VanDerWaalsContact C-N 3.28Å; R749-L752 CarbonylContact O-C 3.55Å; R749-P753 WeakPolarHBondContact O-CA 3.27Å; R749-L755 HydrophobicContact CG-CB 4.21Å; R749-L755 PolarHBondContact NE-O 2.85Å; R749-L755 PolarHBondContact NH2-O 2.62Å; R749-D976 IonicContact CZ-OD1 3.75Å; R749-D976 IonicContact CZ-OD2 3.77Å; R749-D976 IonicContact NH1-OD1 3.51Å; R749-D976 PolarHBondContact NH1-OD1 3.38Å; R749-D976 IonicContact NH1-OD2 2.71Å; R749-D976 PolarHBondContact NH1-OD2 2.8Å; R749-D976 VanDerWaalsContact NH1-OD2 3.17Å; R749-D976 IonicContact NH2-OD1 3.13Å; R749-D976 IonicContact NH2-OD2 3.55Å; R749-D976 PolarHBondContact NH2-OD2 3.33Å; R749-S979 PolarHBondContact NH2-OG 3.19Å
750	K	88.1	Confident	87.8	Confident	162 Å²	162	33.7 Å²	33.7	70%	0.704	18%	0.182	S	C	*	.	H	α-helix	trans	-68.5	-33.9	168.1	-63.3	170.5	-175.4	171.2	0	110.8	T747 I748	T747-K750 WeakPolarHBondContact O-CB 3.34Å; T747-K750 PolarHBondContact O-N 3.28Å; I748-K750 PolarHBondContact O-N 2.97Å
751	T	85.1	Confident	87.7	Confident	71 Å²	71	33 Å²	33	44%	0.436	18%	0.178	S	C	.	.	H	α-helix	trans	-86.5	-35.5	177.2	-45.4	0	0	0	0	112	Q721 I748 R749	Q721-T751 HydrophobicContact CG-CG2 3.94Å; I748-T751 WeakPolarHBondContact O-CA 3.12Å; I748-T751 WeakPolarHBondContact O-CB 3.24Å; I748-T751 PolarHBondContact O-N 3.47Å; R749-T751 VanDerWaalsContact C-N 3.28Å
752	L	87.4	Confident	87.1	Confident	12 Å²	12	32.8 Å²	32.8	6%	0.063	18%	0.177	C	C	.	.			trans	-128.3	78.5	-175.8	-62.5	172.5	0	0	0	111.4	T726 I748 R749 W754 L755	T726-L752 HydrophobicContact CG2-CD1 4.29Å; I748-L752 HydrophobicContact CG2-CD1 4.12Å; I748-L752 PolarHBondContact O-N 3.09Å; R749-L752 CarbonylContact O-C 3.55Å; L752-W754 HydrophobicContact CD2-CH2 4.22Å; L752-W754 HydrophobicContact CD2-CZ2 3.57Å; L752-W754 PolarHBondContact O-N 3.24Å; L752-W754 VanDerWaalsContact O-N 3.07Å; L752-L755 HydrophobicContact CB-CB 4.07Å; L752-L755 HydrophobicContact CD1-CD2 4.45Å; L752-L755 VanDerWaalsContact O-CB 3.29Å; L752-L755 WeakPolarHBondContact O-CB 3.21Å; L752-L755 PolarHBondContact O-N 2.67Å
753	P	87.8	Confident	86.3	Confident	67 Å²	67	34.6 Å²	34.6	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.3	-171.6	-25.7	36.6	0	0	0	116.2	R749 R978	R749-P753 WeakPolarHBondContact O-CA 3.27Å; P753-R978 VanDerWaalsContact O-CZ 3.29Å; P753-R978 PolarHBondContact O-NH1 3.34Å; P753-R978 PolarHBondContact O-NH2 3.35Å
754	W	88.7	Confident	85.9	Confident	40 Å²	40	36.7 Å²	36.7	15%	0.152	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-3.2	175.9	54.8	81	0	0	0	113.7	T726 L752 L756 H1015 A1018 I1019 P1020	T726-W754 PolarHBondContact O-NE1 2.79Å; L752-W754 HydrophobicContact CD2-CH2 4.22Å; L752-W754 HydrophobicContact CD2-CZ2 3.57Å; L752-W754 PolarHBondContact O-N 3.24Å; L752-W754 VanDerWaalsContact O-N 3.07Å; W754-L756 PolarHBondContact O-N 2.74Å; W754-H1015 PolarHBondContact O-CE1 3.04Å; W754-H1015 VanDerWaalsContact O-CE1 3.22Å; W754-H1015 PolarHBondContact O-NE2 3.2Å; W754-H1015 VanDerWaalsContact O-NE2 3.16Å; W754-A1018 HydrophobicContact CB-CB 4.34Å; W754-A1018 VanDerWaalsContact CE3-O 3.3Å; W754-I1019 HydrophobicContact CB-CG1 3.9Å; W754-I1019 HydrophobicContact CG-CG1 3.86Å; W754-P1020 HydrophobicContact CE3-CG 4.2Å; W754-P1020 HydrophobicContact CH2-CG 3.73Å; W754-P1020 HydrophobicContact CZ2-CG 4.48Å; W754-P1020 VanDerWaalsContact CZ3-CD 3.42Å; W754-P1020 HydrophobicContact CZ3-CG 3.56Å
755	L	90.8	Very high	85.8	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.01	18%	0.178	C	C	.	.			trans	-63.9	121.7	-170.9	-173.5	65.5	0	0	0	113.8	T726 L729 I748 R749 L752	T726-L755 HydrophobicContact CG2-CD1 3.92Å; L729-L755 HydrophobicContact CB-CD1 4.08Å; L729-L755 HydrophobicContact CB-CD2 3.92Å; L729-L755 HydrophobicContact CB-CG 4.1Å; L729-L755 HydrophobicContact CD2-CD2 3.98Å; I748-L755 HydrophobicContact CB-CD2 4.22Å; I748-L755 HydrophobicContact CG2-CD2 3.42Å; I748-L755 VanDerWaalsContact CG2-CD2 3.42Å; R749-L755 HydrophobicContact CG-CB 4.21Å; R749-L755 PolarHBondContact NE-O 2.85Å; R749-L755 PolarHBondContact NH2-O 2.62Å; L752-L755 HydrophobicContact CB-CB 4.07Å; L752-L755 HydrophobicContact CD1-CD2 4.45Å; L752-L755 VanDerWaalsContact O-CB 3.29Å; L752-L755 WeakPolarHBondContact O-CB 3.21Å; L752-L755 PolarHBondContact O-N 2.67Å
756	L	92	Very high	85.7	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.1	169.8	-68.7	166.3	0	0	0	109.9	V727 G728 L729 W754 L758 F982 H1015 L1081	V727-L756 WeakPolarHBondContact O-CB 3.45Å; V727-L756 PolarHBondContact O-N 3.13Å; G728-L756 CarbonylContact C-O 3.53Å; G728-L756 WeakPolarHBondContact CA-O 3.35Å; L729-L756 PolarHBondContact N-O 2.79Å; W754-L756 PolarHBondContact O-N 2.74Å; L756-L758 HydrophobicContact CB-CD1 3.82Å; L756-F982 HydrophobicContact CD1-CD1 3.59Å; L756-F982 HydrophobicContact CD1-CD2 4.44Å; L756-F982 HydrophobicContact CD1-CE1 3.54Å; L756-F982 HydrophobicContact CD1-CE2 4.38Å; L756-F982 HydrophobicContact CD1-CG 4.06Å; L756-F982 HydrophobicContact CD1-CZ 3.96Å; L756-F982 HydrophobicContact CD2-CB 3.81Å; L756-F982 HydrophobicContact CD2-CD1 3.96Å; L756-F982 HydrophobicContact CD2-CG 3.83Å; L756-F982 HydrophobicContact CG-CD1 4.45Å; L756-H1015 WeakPolarHBondContact CD2-CE1 3.47Å; L756-H1015 WeakPolarHBondContact CG-NE2 3.31Å; L756-L1081 HydrophobicContact CB-CD2 4.28Å; L756-L1081 HydrophobicContact CD1-CD1 3.96Å; L756-L1081 HydrophobicContact CD1-CD2 3.87Å
757	C	91	Very high	85.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.3	177.9	-60.1	0	0	0	0	107.9	L729 F745 D976 S979	L729-C757 WeakPolarHBondContact O-CA 3.22Å; F745-C757 HydrophobicContact CB-CB 4.5Å; F745-C757 HydrophobicContact CD1-CB 3.87Å; F745-C757 VanDerWaalsContact CD1-SG 3.6Å; F745-C757 HydrophobicContact CD2-CB 3.62Å; F745-C757 HydrophobicContact CE1-CB 3.86Å; F745-C757 HydrophobicContact CE2-CB 3.61Å; F745-C757 HydrophobicContact CG-CB 3.75Å; F745-C757 VanDerWaalsContact CG-SG 3.57Å; F745-C757 HydrophobicContact CZ-CB 3.73Å; C757-D976 HydrophobicContact CB-CB 4.25Å; C757-S979 PolarHBondContact N-OG 2.88Å; C757-S979 VanDerWaalsContact O-CB 3.31Å; C757-S979 WeakPolarHBondContact O-CB 3.45Å; C757-S979 PolarHBondContact O-OG 3.03Å
758	L	89.5	Confident	85.2	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	145.3	-177.5	-79.3	77.5	0	0	0	110.4	L729 L756 L1081 P1082 T1083	L729-L758 PolarHBondContact O-N 3.06Å; L729-L758 VanDerWaalsContact O-N 3.08Å; L756-L758 HydrophobicContact CB-CD1 3.82Å; L758-L1081 HydrophobicContact CD1-CB 4.47Å; L758-L1081 HydrophobicContact CD1-CD1 4.42Å; L758-L1081 HydrophobicContact CD1-CD2 4.24Å; L758-L1081 HydrophobicContact CD2-CB 4.13Å; L758-P1082 HydrophobicContact CB-CG 4.41Å; L758-T1083 HydrophobicContact CD2-CG2 3.89Å
759	P	84.9	Confident	85.2	Confident	4 Å²	4	29.2 Å²	29.2	3%	0.026	14%	0.139	C	C	.	.			trans	-65.2	137	169.4	29.1	-33.6	0	0	0	109.3	F898 V908 I912 R974 F975	P759-F898 VanDerWaalsContact O-CE1 3.32Å; P759-F898 WeakPolarHBondContact O-CE1 3.19Å; P759-V908 HydrophobicContact CG-CG1 3.61Å; P759-I912 HydrophobicContact CB-CD1 3.54Å; P759-I912 HydrophobicContact CG-CD1 3.22Å; P759-R974 HydrophobicContact CB-CB 4.25Å; P759-F975 HydrophobicContact CG-CB 4.3Å; P759-F975 HydrophobicContact CG-CD1 3.82Å; P759-F975 HydrophobicContact CG-CD2 4.15Å; P759-F975 HydrophobicContact CG-CE1 4.05Å; P759-F975 HydrophobicContact CG-CE2 4.35Å; P759-F975 HydrophobicContact CG-CG 3.85Å; P759-F975 HydrophobicContact CG-CZ 4.3Å
760	F	81.7	Confident	85.1	Confident	2 Å²	2	28 Å²	28	1%	0.009	14%	0.135	C	C	.	.			trans	-138.6	139.1	-172.9	-160.2	-102.6	0	0	0	108.1	I661 D732 V762 R974 P1082 S1084 T1085	I661-F760 HydrophobicContact CB-CZ 4.34Å; I661-F760 HydrophobicContact CD1-CE2 3.85Å; I661-F760 HydrophobicContact CD1-CZ 3.73Å; I661-F760 HydrophobicContact CG1-CE2 4.05Å; I661-F760 HydrophobicContact CG1-CZ 3.97Å; I661-F760 HydrophobicContact CG2-CD1 4.07Å; I661-F760 HydrophobicContact CG2-CE1 3.34Å; I661-F760 HydrophobicContact CG2-CE2 4.25Å; I661-F760 HydrophobicContact CG2-CZ 3.44Å; I661-F760 VanDerWaalsContact CG2-CZ 3.44Å; D732-F760 HydrophobicContact CB-CD1 4.09Å; F760-V762 HydrophobicContact CD1-CG2 3.85Å; F760-V762 HydrophobicContact CE1-CG2 3.62Å; F760-R974 PolarHBondContact O-NH1 3.39Å; F760-P1082 HydrophobicContact CD2-CB 4.15Å; F760-P1082 HydrophobicContact CE2-CB 4.06Å; F760-S1084 WeakPolarHBondContact CE2-O 3.37Å; F760-S1084 WeakPolarHBondContact CZ-O 3.49Å; F760-T1085 HydrophobicContact CD1-CG2 3.84Å; F760-T1085 HydrophobicContact CD2-CG2 3.97Å; F760-T1085 HydrophobicContact CE1-CG2 3.51Å; F760-T1085 HydrophobicContact CE2-CG2 3.67Å; F760-T1085 HydrophobicContact CG-CG2 4.06Å; F760-T1085 HydrophobicContact CZ-CG2 3.42Å; F760-T1085 VanDerWaalsContact CZ-CG2 3.42Å
761	M	83.4	Confident	84.9	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.015	11%	0.111	C	C	.	.			trans	-145.5	114.5	-176.7	-71.4	-168.7	173.2	0	0	111	D732 P765 L894 A895 F898 L971 T1085	D732-M761 WeakPolarHBondContact OD2-CA 3Å; M761-P765 HydrophobicContact CE-CB 3.73Å; M761-P765 HydrophobicContact CE-CG 4.4Å; M761-P765 HydrophobicContact CG-CB 4.27Å; M761-P765 HydrophobicContact SD-CB 3.67Å; M761-P765 HydrophobicContact SD-CG 3.78Å; M761-L894 HydrophobicContact CE-CD2 3.78Å; M761-L894 HydrophobicContact SD-CD2 3.64Å; M761-L894 HydrophobicContact SD-CG 3.8Å; M761-A895 HydrophobicContact CB-CB 4.45Å; M761-F898 HydrophobicContact CB-CB 4.21Å; M761-F898 HydrophobicContact CB-CD2 4.3Å; M761-F898 HydrophobicContact CB-CG 4.28Å; M761-F898 WeakPolarHBondContact O-CB 3.28Å; M761-L971 HydrophobicContact CE-CD2 3.62Å; M761-T1085 WeakPolarHBondContact O-CG2 3.46Å; M761-T1085 PolarHBondContact O-OG1 3.29Å
762	V	75.4	Confident	84.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-100.2	-34.3	-172.9	-162.9	0	0	0	0	113.6	D732 F760 Q899 T1085 C1088 E1089	D732-V762 HydrophobicContact CB-CG2 4.12Å; D732-V762 PolarHBondContact OD2-N 2.91Å; F760-V762 HydrophobicContact CD1-CG2 3.85Å; F760-V762 HydrophobicContact CE1-CG2 3.62Å; V762-Q899 PolarHBondContact O-NE2 3.1Å; V762-T1085 HydrophobicContact CG2-CG2 4.18Å; V762-C1088 HydrophobicContact CG1-CB 3.75Å; V762-C1088 HydrophobicContact CG2-CB 4.12Å; V762-E1089 HydrophobicContact CG1-CB 4.23Å
763	H	69	Low	84.6	Confident	87 Å²	87	20.9 Å²	20.9	40%	0.403	11%	0.109	S	C	.	.	S	Bend	trans	-162.1	-37.1	179.7	-160.8	-114.5	0	0	0	116.8
764	R	80.2	Confident	84.3	Confident	92 Å²	92	19.4 Å²	19.4	35%	0.347	10%	0.1	S	C	.	.			trans	-137.2	60.3	-170	-65	-170.3	171.2	-169.8	-13.5	114.8	H766 L767 E831	R764-H766 PolarHBondContact O-N 2.93Å; R764-L767 HydrophobicContact CB-CD1 3.77Å; R764-L767 HydrophobicContact CB-CG 4Å; R764-L767 HydrophobicContact CG-CD1 4.39Å; R764-L767 PolarHBondContact O-N 2.96Å; R764-L767 VanDerWaalsContact O-N 3.12Å; R764-E831 IonicContact CZ-OE1 3.37Å; R764-E831 IonicContact CZ-OE2 2.77Å; R764-E831 IonicContact NH1-OE1 2.74Å; R764-E831 PolarHBondContact NH1-OE1 3.23Å; R764-E831 IonicContact NH1-OE2 2.65Å; R764-E831 PolarHBondContact NH1-OE2 3.3Å; R764-E831 IonicContact NH2-OE1 2.78Å; R764-E831 PolarHBondContact NH2-OE1 2.92Å; R764-E831 IonicContact NH2-OE2 3.02Å; R764-E831 PolarHBondContact NH2-OE2 3.05Å
765	P	84.4	Confident	83.7	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-25.1	178.3	25.8	-34.5	0	0	0	113.5	M761 L767 E768 L891 A895	M761-P765 HydrophobicContact CE-CB 3.73Å; M761-P765 HydrophobicContact CE-CG 4.4Å; M761-P765 HydrophobicContact CG-CB 4.27Å; M761-P765 HydrophobicContact SD-CB 3.67Å; M761-P765 HydrophobicContact SD-CG 3.78Å; P765-L767 PolarHBondContact O-N 3.06Å; P765-E768 PolarHBondContact O-N 2.94Å; P765-L891 HydrophobicContact CG-CB 4.22Å; P765-L891 WeakPolarHBondContact CG-O 3.45Å; P765-A895 HydrophobicContact CG-CB 4.09Å
766	H	86.3	Confident	82.6	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.042	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-25.8	174.8	55.2	-111.3	0	0	0	113.7	R764 I769 L770 G830 I888 L891	R764-H766 PolarHBondContact O-N 2.93Å; H766-I769 PolarHBondContact O-N 3.3Å; H766-L770 VanDerWaalsContact O-CG 3.31Å; H766-L770 WeakPolarHBondContact O-CG 3.5Å; H766-L770 PolarHBondContact O-N 3.25Å; H766-G830 PolarHBondContact NE2-O 2.8Å; H766-I888 HydrophobicContact CB-CG1 4.11Å; H766-L891 HydrophobicContact CB-CB 4.48Å; H766-L891 HydrophobicContact CB-CD1 3.85Å
767	L	85.4	Confident	81.6	Confident	13 Å²	13	33.2 Å²	33.2	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-37.9	-179.1	-66.9	176.6	0	0	0	112.7	A734 R764 P765 I769 L770 D771 W827	A734-L767 HydrophobicContact CB-CD1 4.14Å; R764-L767 HydrophobicContact CB-CD1 3.77Å; R764-L767 HydrophobicContact CB-CG 4Å; R764-L767 HydrophobicContact CG-CD1 4.39Å; R764-L767 PolarHBondContact O-N 2.96Å; R764-L767 VanDerWaalsContact O-N 3.12Å; P765-L767 PolarHBondContact O-N 3.06Å; L767-I769 VanDerWaalsContact C-N 3.28Å; L767-I769 PolarHBondContact O-N 2.96Å; L767-L770 HydrophobicContact CD2-CD1 4.4Å; L767-L770 PolarHBondContact O-N 3.44Å; L767-D771 PolarHBondContact O-N 3.45Å; L767-W827 HydrophobicContact CD2-CB 3.97Å; L767-W827 HydrophobicContact CD2-CG 4.39Å
768	E	83.6	Confident	81.2	Confident	8 Å²	8	33.5 Å²	33.5	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-37.5	173.1	179.7	-177.5	179.3	0	0	110.8	A738 R741 P765 A772 R974	A738-E768 WeakPolarHBondContact CA-OE1 3.4Å; A738-E768 PolarHBondContact N-OE1 3.03Å; R741-E768 IonicContact CZ-OE1 2.73Å; R741-E768 IonicContact CZ-OE2 2.94Å; R741-E768 IonicContact NH1-OE1 3.04Å; R741-E768 PolarHBondContact NH1-OE1 3.05Å; R741-E768 IonicContact NH1-OE2 3.85Å; R741-E768 PolarHBondContact NH1-OE2 2.96Å; R741-E768 IonicContact NH2-OE1 2.69Å; R741-E768 IonicContact NH2-OE2 3.53Å; R741-E768 PolarHBondContact NH2-OE2 3.23Å; P765-E768 PolarHBondContact O-N 2.94Å; E768-A772 WeakPolarHBondContact O-CB 3.43Å; E768-A772 PolarHBondContact O-N 3.09Å; E768-R974 IonicContact OE2-CZ 3.38Å; E768-R974 IonicContact OE2-NE 3.31Å; E768-R974 PolarHBondContact OE2-NE 3.02Å; E768-R974 IonicContact OE2-NH2 3.29Å; E768-R974 PolarHBondContact OE2-NH2 2.98Å
769	I	86.6	Confident	81	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-47	177.9	-70.4	154.9	0	0	0	110.2	H766 L767 A772 I773 L891 T967 I970	H766-I769 PolarHBondContact O-N 3.3Å; L767-I769 VanDerWaalsContact C-N 3.28Å; L767-I769 PolarHBondContact O-N 2.96Å; I769-A772 PolarHBondContact O-N 3.44Å; I769-I773 HydrophobicContact CG2-CD1 4.21Å; I769-I773 VanDerWaalsContact O-CG1 3.26Å; I769-I773 WeakPolarHBondContact O-CG1 3.3Å; I769-I773 WeakPolarHBondContact O-CG2 3.32Å; I769-I773 PolarHBondContact O-N 2.97Å; I769-L891 HydrophobicContact CD1-CD1 3.53Å; I769-L891 HydrophobicContact CD1-CD2 3.63Å; I769-L891 HydrophobicContact CD1-CG 4.25Å; I769-T967 HydrophobicContact CD1-CG2 3.91Å; I769-T967 WeakPolarHBondContact CG2-OG1 3.23Å; I769-I970 HydrophobicContact CB-CD1 4.47Å; I769-I970 HydrophobicContact CG1-CB 4.25Å; I769-I970 HydrophobicContact CG1-CD1 4.14Å; I769-I970 HydrophobicContact CG1-CG2 3.83Å
770	L	86.8	Confident	81	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-59.4	-48.4	175.1	-70.5	171.6	0	0	0	112.1	H766 L767 A772 I773 S774 W827 I829 L884	H766-L770 VanDerWaalsContact O-CG 3.31Å; H766-L770 WeakPolarHBondContact O-CG 3.5Å; H766-L770 PolarHBondContact O-N 3.25Å; L767-L770 HydrophobicContact CD2-CD1 4.4Å; L767-L770 PolarHBondContact O-N 3.44Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 3.5Å; L770-I773 PolarHBondContact O-N 2.83Å; L770-S774 VanDerWaalsContact O-CB 3.25Å; L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.22Å; L770-W827 HydrophobicContact CB-CD2 4.18Å; L770-W827 HydrophobicContact CB-CG 4.2Å; L770-W827 HydrophobicContact CD1-CB 4.02Å; L770-W827 HydrophobicContact CD1-CG 4.1Å; L770-I829 HydrophobicContact CD1-CD1 4.47Å; L770-I829 HydrophobicContact CD1-CG1 3.91Å; L770-I829 HydrophobicContact CD2-CD1 3.71Å; L770-I829 HydrophobicContact CD2-CG1 4.01Å; L770-L884 HydrophobicContact CD2-CD2 4.46Å
771	D	82.1	Confident	81.4	Confident	38 Å²	38	37.7 Å²	37.7	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-54	-48.4	173.6	-80.8	-8.4	0	0	0	111.2	L767 I773 S774 R826 W827	L767-D771 PolarHBondContact O-N 3.45Å; D771-I773 PolarHBondContact O-N 3.36Å; D771-S774 PolarHBondContact O-OG 2.92Å; D771-R826 IonicContact OD1-CZ 2.64Å; D771-R826 IonicContact OD1-NE 3.61Å; D771-R826 PolarHBondContact OD1-NE 3.26Å; D771-R826 IonicContact OD1-NH2 2.68Å; D771-R826 IonicContact OD2-CZ 3.48Å; D771-R826 VanDerWaalsContact OD2-CZ 3.28Å; D771-R826 IonicContact OD2-NE 3.27Å; D771-R826 PolarHBondContact OD2-NE 3.42Å; D771-R826 VanDerWaalsContact OD2-NE 3.08Å; D771-R826 IonicContact OD2-NH2 3.98Å; D771-R826 PolarHBondContact OD2-NH2 2.69Å; D771-W827 PolarHBondContact OD1-NE1 3Å
772	A	82.7	Confident	81.6	Confident	54 Å²	54	41.7 Å²	41.7	45%	0.446	22%	0.216	S	C	.	.	H	α-helix	trans	-74.6	-21.2	-173.2	0	0	0	0	0	115.3	E768 I769 L770 I970	E768-A772 WeakPolarHBondContact O-CB 3.43Å; E768-A772 PolarHBondContact O-N 3.09Å; I769-A772 PolarHBondContact O-N 3.44Å; L770-A772 VanDerWaalsContact C-N 3.32Å; L770-A772 PolarHBondContact O-N 3.5Å; A772-I970 HydrophobicContact CB-CD1 3.63Å; A772-I970 HydrophobicContact CB-CG1 4.49Å
773	I	84.9	Confident	82.2	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-101.5	-9.8	176.8	71.5	-172.1	0	0	0	113.6	I769 L770 D771 L778 L781 I963 K966 I970	I769-I773 HydrophobicContact CG2-CD1 4.21Å; I769-I773 VanDerWaalsContact O-CG1 3.26Å; I769-I773 WeakPolarHBondContact O-CG1 3.3Å; I769-I773 WeakPolarHBondContact O-CG2 3.32Å; I769-I773 PolarHBondContact O-N 2.97Å; L770-I773 PolarHBondContact O-N 2.83Å; D771-I773 PolarHBondContact O-N 3.36Å; I773-L778 HydrophobicContact CB-CD1 4.21Å; I773-L778 HydrophobicContact CD1-CD1 4.43Å; I773-L778 HydrophobicContact CG1-CD1 4.41Å; I773-L781 HydrophobicContact CD1-CD1 3.62Å; I773-L781 HydrophobicContact CG1-CD1 3.6Å; I773-I963 HydrophobicContact CD1-CG1 4.27Å; I773-I963 HydrophobicContact CD1-CG2 4.48Å; I773-K966 HydrophobicContact CG2-CB 3.49Å; I773-K966 VanDerWaalsContact CG2-CB 3.49Å; I773-K966 HydrophobicContact CG2-CG 4.03Å; I773-I970 HydrophobicContact CG2-CD1 4.4Å
774	S	79.9	Confident	83.3	Confident	36 Å²	36	43.7 Å²	43.7	25%	0.252	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	175.9	178.5	71.7	0	0	0	0	113.6	L770 D771 W827	L770-S774 VanDerWaalsContact O-CB 3.25Å; L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.22Å; D771-S774 PolarHBondContact O-OG 2.92Å; S774-W827 VanDerWaalsContact CB-CH2 3.49Å
775	G	77.6	Confident	83.8	Confident	18 Å²	18	39.7 Å²	39.7	19%	0.186	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-135.6	-179.7	0	0	0	0	0	113.5	E777 L778 E782	G775-E777 VanDerWaalsContact C-N 3.26Å; G775-E777 PolarHBondContact O-N 3.24Å; G775-E777 VanDerWaalsContact O-N 3.16Å; G775-L778 CarbonylContact O-C 3.57Å; G775-L778 PolarHBondContact O-N 2.87Å; G775-E782 VanDerWaalsContact CA-OE1 3.26Å; G775-E782 WeakPolarHBondContact CA-OE1 3.41Å; G775-E782 PolarHBondContact N-OE1 3.11Å
776	K	67.5	Low	84.2	Confident	214 Å²	214	44.6 Å²	44.6	93%	0.93	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.7	-164.7	-66.3	-178.1	-178.2	175.1	0	115.1
777	E	71.1	Confident	84.5	Confident	102 Å²	102	45.8 Å²	45.8	48%	0.477	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-39	-177.4	-65.1	-167.6	140.4	0	0	112.9	G775 K966	G775-E777 VanDerWaalsContact C-N 3.26Å; G775-E777 PolarHBondContact O-N 3.24Å; G775-E777 VanDerWaalsContact O-N 3.16Å; E777-K966 IonicContact OE1-NZ 2.71Å; E777-K966 PolarHBondContact OE1-NZ 2.83Å; E777-K966 WeakPolarHBondContact OE2-CE 3.34Å; E777-K966 IonicContact OE2-NZ 3.18Å; E777-K966 PolarHBondContact OE2-NZ 3.44Å
778	L	83.1	Confident	84.9	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	24%	0.242	C	C	.	.			trans	-135.7	69.6	179.7	-65.9	178.1	0	0	0	111.6	I773 G775 C780 L781 I959 K962 I963	I773-L778 HydrophobicContact CB-CD1 4.21Å; I773-L778 HydrophobicContact CD1-CD1 4.43Å; I773-L778 HydrophobicContact CG1-CD1 4.41Å; G775-L778 CarbonylContact O-C 3.57Å; G775-L778 PolarHBondContact O-N 2.87Å; L778-C780 PolarHBondContact O-N 2.83Å; L778-L781 HydrophobicContact CB-CD1 3.84Å; L778-L781 HydrophobicContact CB-CG 4.16Å; L778-L781 HydrophobicContact CD1-CD1 3.75Å; L778-L781 HydrophobicContact CG-CD1 4.47Å; L778-L781 WeakPolarHBondContact O-CB 3.48Å; L778-L781 PolarHBondContact O-N 2.79Å; L778-I959 HydrophobicContact CD2-CG1 4.26Å; L778-I959 HydrophobicContact CD2-CG2 4.25Å; L778-K962 HydrophobicContact CD2-CB 4.32Å; L778-K962 HydrophobicContact CD2-CD 3.99Å; L778-I963 HydrophobicContact CD1-CD1 4.24Å; L778-I963 HydrophobicContact CD1-CG1 3.53Å
779	P	84.4	Confident	85.3	Confident	77 Å²	77	47 Å²	47	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-19.6	-179.7	24.5	-35.3	0	0	0	113.9	L781 E782 E783	P779-L781 PolarHBondContact O-N 3.21Å; P779-E782 PolarHBondContact O-N 2.8Å; P779-E783 PolarHBondContact O-N 3.11Å
780	C	85.8	Confident	85.6	Confident	18 Å²	18	50.5 Å²	50.5	12%	0.122	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-26.2	170.5	49.1	0	0	0	0	114.1	L778 L784 I959	L778-C780 PolarHBondContact O-N 2.83Å; C780-L784 VanDerWaalsContact O-CB 3.29Å; C780-L784 WeakPolarHBondContact O-CB 3.48Å; C780-L784 PolarHBondContact O-N 2.62Å; C780-I959 HydrophobicContact CB-CD1 4.41Å
781	L	88.5	Confident	85.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-77.2	-36.1	175.9	-67	172.8	0	0	0	111.2	I773 L778 P779 E785 I829 L880 L884	I773-L781 HydrophobicContact CD1-CD1 3.62Å; I773-L781 HydrophobicContact CG1-CD1 3.6Å; L778-L781 HydrophobicContact CB-CD1 3.84Å; L778-L781 HydrophobicContact CB-CG 4.16Å; L778-L781 HydrophobicContact CD1-CD1 3.75Å; L778-L781 HydrophobicContact CG-CD1 4.47Å; L778-L781 WeakPolarHBondContact O-CB 3.48Å; L778-L781 PolarHBondContact O-N 2.79Å; P779-L781 PolarHBondContact O-N 3.21Å; L781-E785 VanDerWaalsContact O-CB 3.24Å; L781-E785 WeakPolarHBondContact O-CB 3.45Å; L781-E785 PolarHBondContact O-N 2.84Å; L781-I829 HydrophobicContact CB-CD1 4.45Å; L781-I829 HydrophobicContact CD2-CD1 4.35Å; L781-L880 HydrophobicContact CD2-CD1 4.43Å; L781-L880 HydrophobicContact CD2-CD2 4.04Å; L781-L880 HydrophobicContact CD2-CG 4.43Å; L781-L884 HydrophobicContact CD2-CD1 3.86Å; L781-L884 HydrophobicContact CD2-CD2 4.28Å
782	E	87.9	Confident	86.4	Confident	86 Å²	86	48.6 Å²	48.6	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-42.1	169.9	-59.2	-170.6	146	0	0	110.9	G775 P779 N786	G775-E782 VanDerWaalsContact CA-OE1 3.26Å; G775-E782 WeakPolarHBondContact CA-OE1 3.41Å; G775-E782 PolarHBondContact N-OE1 3.11Å; P779-E782 PolarHBondContact O-N 2.8Å; E782-N786 WeakPolarHBondContact O-CB 3.38Å; E782-N786 PolarHBondContact O-N 3.5Å; E782-N786 PolarHBondContact O-ND2 2.87Å
783	E	89	Confident	86.8	Confident	127 Å²	127	47.3 Å²	47.3	59%	0.593	24%	0.242	S	C	*	.	H	α-helix	trans	-62.5	-46.5	176.6	-174.5	167.8	-160.6	0	0	111.8	P779 N786 N787	P779-E783 PolarHBondContact O-N 3.11Å; E783-N786 PolarHBondContact O-N 2.71Å; E783-N787 WeakPolarHBondContact O-CB 3.41Å; E783-N787 PolarHBondContact O-N 3.32Å; E783-N787 PolarHBondContact O-ND2 3Å; E783-N787 VanDerWaalsContact O-ND2 3.1Å
784	L	91.3	Very high	87.1	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-48.8	175.6	177.4	59.2	0	0	0	112.2	C780 N787 L788 I829 F871 L880 I881 L884	C780-L784 VanDerWaalsContact O-CB 3.29Å; C780-L784 WeakPolarHBondContact O-CB 3.48Å; C780-L784 PolarHBondContact O-N 2.62Å; L784-N787 PolarHBondContact O-N 2.72Å; L784-L788 HydrophobicContact CD1-CD1 3.85Å; L784-L788 HydrophobicContact CD1-CG 4.19Å; L784-L788 HydrophobicContact CG-CD1 4.03Å; L784-L788 WeakPolarHBondContact O-CG 3.38Å; L784-L788 PolarHBondContact O-N 2.59Å; L784-I829 HydrophobicContact CD2-CG2 3.87Å; L784-I829 HydrophobicContact CG-CG2 3.74Å; L784-F871 HydrophobicContact CD1-CE2 3.59Å; L784-F871 HydrophobicContact CD1-CZ 3.69Å; L784-L880 HydrophobicContact CD2-CB 4.47Å; L784-L880 HydrophobicContact CD2-CD2 3.98Å; L784-L880 HydrophobicContact CD2-CG 3.94Å; L784-I881 HydrophobicContact CD1-CD1 4.01Å; L784-I881 HydrophobicContact CD1-CG1 3.81Å; L784-I881 HydrophobicContact CD2-CG1 4.21Å; L784-L884 HydrophobicContact CD2-CD1 3.71Å
785	E	91.4	Very high	87.6	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-45.6	178.5	175.8	62.2	-162.1	0	0	112.2	L781 L788 K789 W827 I828 I829	L781-E785 VanDerWaalsContact O-CB 3.24Å; L781-E785 WeakPolarHBondContact O-CB 3.45Å; L781-E785 PolarHBondContact O-N 2.84Å; E785-L788 PolarHBondContact O-N 2.93Å; E785-K789 HydrophobicContact CG-CD 4.36Å; E785-K789 WeakPolarHBondContact O-CB 3.26Å; E785-K789 PolarHBondContact O-N 3.39Å; E785-K789 WeakPolarHBondContact OE1-CD 3.35Å; E785-K789 WeakPolarHBondContact OE1-CE 3.5Å; E785-K789 IonicContact OE1-NZ 3.71Å; E785-K789 PolarHBondContact OE1-NZ 3.42Å; E785-W827 HydrophobicContact CB-CE3 3.95Å; E785-W827 HydrophobicContact CB-CZ3 3.75Å; E785-W827 HydrophobicContact CG-CE3 3.59Å; E785-W827 HydrophobicContact CG-CZ3 3.71Å; E785-W827 WeakPolarHBondContact OE1-CA 3.44Å; E785-I828 PolarHBondContact OE1-N 3.35Å; E785-I828 PolarHBondContact OE2-N 3.03Å; E785-I829 HydrophobicContact CB-CD1 4.42Å; E785-I829 PolarHBondContact OE2-N 2.84Å
786	N	91.8	Very high	88	Confident	104 Å²	104	49.1 Å²	49.1	56%	0.556	24%	0.238	S	C	*	.	H	α-helix	trans	-65.1	-41.1	178	-79.1	-70	0	0	0	111.7	E782 E783 K789 Q790	E782-N786 WeakPolarHBondContact O-CB 3.38Å; E782-N786 PolarHBondContact O-N 3.5Å; E782-N786 PolarHBondContact O-ND2 2.87Å; E783-N786 PolarHBondContact O-N 2.71Å; N786-K789 PolarHBondContact O-N 2.84Å; N786-Q790 WeakPolarHBondContact O-CB 3.37Å; N786-Q790 PolarHBondContact O-N 3.36Å
787	N	93.3	Very high	89	Confident	34 Å²	34	44.6 Å²	44.6	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-40.2	177.3	-74.2	-29.8	0	0	0	112.1	E783 L784 Q790 L791 F871	E783-N787 WeakPolarHBondContact O-CB 3.41Å; E783-N787 PolarHBondContact O-N 3.32Å; E783-N787 PolarHBondContact O-ND2 3Å; E783-N787 VanDerWaalsContact O-ND2 3.1Å; L784-N787 PolarHBondContact O-N 2.72Å; N787-Q790 PolarHBondContact O-N 2.82Å; N787-L791 WeakPolarHBondContact O-CB 3.28Å; N787-L791 PolarHBondContact O-N 2.86Å; N787-F871 HydrophobicContact CB-CB 4.48Å; N787-F871 HydrophobicContact CB-CD1 3.89Å; N787-F871 HydrophobicContact CB-CD2 3.6Å; N787-F871 HydrophobicContact CB-CE1 3.96Å; N787-F871 HydrophobicContact CB-CE2 3.66Å; N787-F871 HydrophobicContact CB-CG 3.72Å; N787-F871 HydrophobicContact CB-CZ 3.85Å; N787-F871 WeakPolarHBondContact ND2-CD2 3.27Å
788	L	93.3	Very high	89.7	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-44.3	175.1	-71.7	169.2	0	0	0	112.2	L784 E785 Q790 L791 L792 I828 I829 L835 L838 F871 I881	L784-L788 HydrophobicContact CD1-CD1 3.85Å; L784-L788 HydrophobicContact CD1-CG 4.19Å; L784-L788 HydrophobicContact CG-CD1 4.03Å; L784-L788 WeakPolarHBondContact O-CG 3.38Å; L784-L788 PolarHBondContact O-N 2.59Å; E785-L788 PolarHBondContact O-N 2.93Å; L788-Q790 VanDerWaalsContact C-N 3.27Å; L788-Q790 PolarHBondContact O-N 2.75Å; L788-L791 HydrophobicContact CD2-CD2 4.49Å; L788-L791 WeakPolarHBondContact O-CB 3.48Å; L788-L791 PolarHBondContact O-N 3.18Å; L788-L792 WeakPolarHBondContact O-CG 3.43Å; L788-L792 PolarHBondContact O-N 2.81Å; L788-I828 HydrophobicContact CB-CB 4.43Å; L788-I828 HydrophobicContact CB-CG2 3.83Å; L788-I828 HydrophobicContact CD1-CG2 4.39Å; L788-I829 HydrophobicContact CD1-CG2 3.52Å; L788-L835 HydrophobicContact CD1-CD2 3.92Å; L788-L838 HydrophobicContact CD2-CD2 3.46Å; L788-L838 VanDerWaalsContact CD2-CD2 3.46Å; L788-F871 HydrophobicContact CD2-CE1 4.1Å; L788-F871 HydrophobicContact CD2-CZ 3.98Å; L788-F871 HydrophobicContact CG-CE1 4.43Å; L788-F871 HydrophobicContact CG-CZ 4Å; L788-I881 HydrophobicContact CD2-CD1 4.45Å
789	K	92.1	Very high	89.8	Confident	43 Å²	43	45.7 Å²	45.7	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-39.6	171.7	-83.1	179.9	159	131.7	0	111.9	E785 N786 S793 I822 V825 R826 I828	E785-K789 HydrophobicContact CG-CD 4.36Å; E785-K789 WeakPolarHBondContact O-CB 3.26Å; E785-K789 PolarHBondContact O-N 3.39Å; E785-K789 WeakPolarHBondContact OE1-CD 3.35Å; E785-K789 WeakPolarHBondContact OE1-CE 3.5Å; E785-K789 IonicContact OE1-NZ 3.71Å; E785-K789 PolarHBondContact OE1-NZ 3.42Å; N786-K789 PolarHBondContact O-N 2.84Å; K789-S793 WeakPolarHBondContact O-CB 3.2Å; K789-S793 PolarHBondContact O-N 2.87Å; K789-S793 PolarHBondContact O-OG 3.47Å; K789-I822 HydrophobicContact CB-CG2 4.22Å; K789-I822 VanDerWaalsContact CE-O 3.29Å; K789-I822 WeakPolarHBondContact CE-O 3.47Å; K789-I822 HydrophobicContact CG-CG2 3.99Å; K789-V825 WeakPolarHBondContact CE-O 3.45Å; K789-V825 PolarHBondContact NZ-O 3.04Å; K789-R826 PolarHBondContact NZ-O 2.84Å; K789-I828 HydrophobicContact CD-CG1 4.49Å; K789-I828 HydrophobicContact CG-CB 4.5Å; K789-I828 HydrophobicContact CG-CG1 3.6Å
790	Q	93.1	Very high	90	Very high	78 Å²	78	46.2 Å²	46.2	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-69	-41.3	175.7	-171.2	175.6	1.2	0	0	112.1	N786 N787 L788 S793 F794 L868	N786-Q790 WeakPolarHBondContact O-CB 3.37Å; N786-Q790 PolarHBondContact O-N 3.36Å; N787-Q790 PolarHBondContact O-N 2.82Å; L788-Q790 VanDerWaalsContact C-N 3.27Å; L788-Q790 PolarHBondContact O-N 2.75Å; Q790-S793 PolarHBondContact O-N 2.91Å; Q790-F794 VanDerWaalsContact O-CB 3.24Å; Q790-F794 WeakPolarHBondContact O-CB 3.36Å; Q790-F794 PolarHBondContact O-N 3.4Å; Q790-L868 HydrophobicContact CB-CD2 4.16Å; Q790-L868 HydrophobicContact CG-CD2 4.09Å
791	L	93.3	Very high	90	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-53.7	176.9	179.8	61.1	0	0	0	111.2	N787 L788 S793 F794 Y795 L838 V845 L849 L868 L872	N787-L791 WeakPolarHBondContact O-CB 3.28Å; N787-L791 PolarHBondContact O-N 2.86Å; L788-L791 HydrophobicContact CD2-CD2 4.49Å; L788-L791 WeakPolarHBondContact O-CB 3.48Å; L788-L791 PolarHBondContact O-N 3.18Å; L791-S793 VanDerWaalsContact C-N 3.34Å; L791-S793 PolarHBondContact O-N 3.49Å; L791-F794 PolarHBondContact O-N 2.92Å; L791-Y795 HydrophobicContact CD1-CD2 4.37Å; L791-Y795 HydrophobicContact CD1-CE2 3.88Å; L791-Y795 VanDerWaalsContact O-CD2 3.27Å; L791-Y795 WeakPolarHBondContact O-CD2 3.38Å; L791-Y795 PolarHBondContact O-N 3.43Å; L791-L838 HydrophobicContact CD2-CD1 3.79Å; L791-L838 HydrophobicContact CD2-CD2 4.12Å; L791-V845 HydrophobicContact CD1-CG1 4.41Å; L791-L849 HydrophobicContact CD1-CD1 4.02Å; L791-L868 HydrophobicContact CB-CD2 3.94Å; L791-L868 HydrophobicContact CD1-CB 4.36Å; L791-L868 HydrophobicContact CD1-CD1 4.09Å; L791-L868 HydrophobicContact CD1-CD2 4.41Å; L791-L872 HydrophobicContact CD2-CD1 4.37Å; L791-L872 HydrophobicContact CD2-CD2 4.35Å
792	L	92.3	Very high	90	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-40	179.9	-61.4	167.8	0	0	0	111	L788 Y795 R796 L812 T816 L819 I822 I828 V834	L788-L792 WeakPolarHBondContact O-CG 3.43Å; L788-L792 PolarHBondContact O-N 2.81Å; L792-Y795 PolarHBondContact O-N 2.89Å; L792-R796 WeakPolarHBondContact O-CB 3.26Å; L792-R796 PolarHBondContact O-N 2.88Å; L792-L812 HydrophobicContact CD2-CD1 3.96Å; L792-T816 HydrophobicContact CD2-CG2 4.38Å; L792-T816 VanDerWaalsContact CD2-OG1 3.29Å; L792-T816 WeakPolarHBondContact CD2-OG1 3.1Å; L792-L819 HydrophobicContact CD1-CD1 3.82Å; L792-I822 HydrophobicContact CB-CD1 3.6Å; L792-I822 HydrophobicContact CB-CG1 4.14Å; L792-I822 HydrophobicContact CB-CG2 4.21Å; L792-I828 HydrophobicContact CD1-CD1 3.78Å; L792-I828 HydrophobicContact CD1-CG1 4.13Å; L792-I828 HydrophobicContact CD1-CG2 3.59Å; L792-V834 HydrophobicContact CD1-CG1 3.94Å; L792-V834 HydrophobicContact CD2-CG1 4.03Å
793	S	90.9	Very high	89.9	Confident	27 Å²	27	45 Å²	45	19%	0.189	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-38.4	179.1	-65.5	0	0	0	0	112.9	K789 Q790 L791 Y795 R796 Y797	K789-S793 WeakPolarHBondContact O-CB 3.2Å; K789-S793 PolarHBondContact O-N 2.87Å; K789-S793 PolarHBondContact O-OG 3.47Å; Q790-S793 PolarHBondContact O-N 2.91Å; L791-S793 VanDerWaalsContact C-N 3.34Å; L791-S793 PolarHBondContact O-N 3.49Å; S793-Y795 PolarHBondContact O-N 3.33Å; S793-R796 PolarHBondContact O-N 2.91Å; S793-Y797 WeakPolarHBondContact O-CD2 3.31Å; S793-Y797 PolarHBondContact O-N 3.33Å
794	F	90.8	Very high	89.8	Confident	21 Å²	21	41.8 Å²	41.8	9%	0.092	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-38.7	177.1	173.3	-104.2	0	0	0	111.8	Q790 L791 L801 L849 V852 A861 I864 A865 L868	Q790-F794 VanDerWaalsContact O-CB 3.24Å; Q790-F794 WeakPolarHBondContact O-CB 3.36Å; Q790-F794 PolarHBondContact O-N 3.4Å; L791-F794 PolarHBondContact O-N 2.92Å; F794-L801 HydrophobicContact CD1-CD1 4.14Å; F794-L801 HydrophobicContact CD2-CD1 4.26Å; F794-L801 HydrophobicContact CE1-CD1 3.75Å; F794-L801 HydrophobicContact CE1-CD2 4.39Å; F794-L801 HydrophobicContact CE2-CD1 3.89Å; F794-L801 HydrophobicContact CG-CD1 4.39Å; F794-L801 HydrophobicContact CZ-CD1 3.62Å; F794-L801 HydrophobicContact CZ-CD2 4.45Å; F794-L801 WeakPolarHBondContact O-CD1 3.36Å; F794-L849 HydrophobicContact CD1-CD2 4.26Å; F794-L849 HydrophobicContact CE1-CD2 3.81Å; F794-V852 HydrophobicContact CZ-CG1 4.05Å; F794-A861 HydrophobicContact CE2-CB 4.34Å; F794-A861 WeakPolarHBondContact CE2-O 3.34Å; F794-I864 HydrophobicContact CB-CG2 4.42Å; F794-I864 HydrophobicContact CD2-CB 4.17Å; F794-I864 HydrophobicContact CD2-CG2 3.46Å; F794-I864 VanDerWaalsContact CD2-CG2 3.46Å; F794-I864 HydrophobicContact CE2-CB 4.17Å; F794-I864 HydrophobicContact CE2-CG2 3.9Å; F794-I864 HydrophobicContact CG-CG2 4.11Å; F794-A865 HydrophobicContact CE1-CB 4.4Å; F794-A865 HydrophobicContact CZ-CB 3.88Å; F794-L868 HydrophobicContact CB-CD1 3.78Å; F794-L868 HydrophobicContact CD1-CD1 3.89Å; F794-L868 HydrophobicContact CD2-CD1 4.43Å; F794-L868 HydrophobicContact CG-CD1 3.79Å
795	Y	90.2	Very high	89.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-74.5	-64.8	169.4	-70.7	-68.1	0	0	0	111.5	L791 L792 S793 Y797 S798 L801 M802 L805 H848	L791-Y795 HydrophobicContact CD1-CD2 4.37Å; L791-Y795 HydrophobicContact CD1-CE2 3.88Å; L791-Y795 VanDerWaalsContact O-CD2 3.27Å; L791-Y795 WeakPolarHBondContact O-CD2 3.38Å; L791-Y795 PolarHBondContact O-N 3.43Å; L792-Y795 PolarHBondContact O-N 2.89Å; S793-Y795 PolarHBondContact O-N 3.33Å; Y795-Y797 VanDerWaalsContact C-N 3.29Å; Y795-Y797 PolarHBondContact O-N 3.11Å; Y795-Y797 VanDerWaalsContact O-N 3.07Å; Y795-S798 CarbonylContact O-C 3.56Å; Y795-S798 PolarHBondContact O-N 2.78Å; Y795-L801 HydrophobicContact CD1-CB 3.87Å; Y795-L801 HydrophobicContact CE1-CB 4.33Å; Y795-M802 VanDerWaalsContact C-SD 3.58Å; Y795-M802 VanDerWaalsContact O-CG 3.31Å; Y795-M802 WeakPolarHBondContact O-CG 3.49Å; Y795-L805 HydrophobicContact CD1-CB 3.81Å; Y795-L805 HydrophobicContact CD1-CD1 3.99Å; Y795-L805 HydrophobicContact CD1-CD2 3.96Å; Y795-L805 HydrophobicContact CD1-CG 4.14Å; Y795-L805 HydrophobicContact CD2-CD1 4.33Å; Y795-L805 HydrophobicContact CD2-CD2 4.25Å; Y795-L805 HydrophobicContact CE1-CB 4Å; Y795-L805 HydrophobicContact CE1-CD1 3.7Å; Y795-L805 HydrophobicContact CE1-CG 4.29Å; Y795-L805 HydrophobicContact CE2-CD1 4.05Å; Y795-L805 HydrophobicContact CG-CD1 4.32Å; Y795-L805 HydrophobicContact CG-CD2 3.84Å; Y795-L805 HydrophobicContact CG-CG 4.47Å; Y795-H848 AromaticContact CE1-CE1 3.68Å; Y795-H848 AromaticContact CE1-ND1 3.48Å; Y795-H848 WeakPolarHBondContact CE1-ND1 3.48Å; Y795-H848 AromaticContact CZ-ND1 3.7Å; Y795-H848 PolarHBondContact OH-ND1 3.16Å
796	R	87.9	Confident	89.5	Confident	73 Å²	73	46.8 Å²	46.8	28%	0.275	23%	0.228	S	C	.	.	H	α-helix	trans	-49.1	-41	-170.3	-179	60.1	153.3	-177	-19.4	114.8	L792 S793 S798 T816 E817 G820 I822	L792-R796 WeakPolarHBondContact O-CB 3.26Å; L792-R796 PolarHBondContact O-N 2.88Å; S793-R796 PolarHBondContact O-N 2.91Å; R796-S798 VanDerWaalsContact C-N 3.33Å; R796-T816 HydrophobicContact CB-CG2 3.97Å; R796-E817 PolarHBondContact NH2-O 3.46Å; R796-G820 PolarHBondContact NE-O 3.41Å; R796-G820 PolarHBondContact NH2-O 2.81Å; R796-I822 HydrophobicContact CB-CD1 3.48Å; R796-I822 VanDerWaalsContact CB-CD1 3.48Å; R796-I822 HydrophobicContact CG-CD1 3.7Å
797	Y	86.9	Confident	89.3	Confident	119 Å²	119	46.8 Å²	46.8	47%	0.467	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.5	-176.9	-66.8	-66.6	0	0	0	114.3	S793 Y795 D821 R823	S793-Y797 WeakPolarHBondContact O-CD2 3.31Å; S793-Y797 PolarHBondContact O-N 3.33Å; Y795-Y797 VanDerWaalsContact C-N 3.29Å; Y795-Y797 PolarHBondContact O-N 3.11Å; Y795-Y797 VanDerWaalsContact O-N 3.07Å; Y797-D821 VanDerWaalsContact OH-CG 3.29Å; Y797-D821 PolarHBondContact OH-OD1 2.9Å; Y797-R823 PolarHBondContact OH-NE 2.94Å
798	S	87	Confident	89	Confident	29 Å²	29	48.3 Å²	48.3	20%	0.203	25%	0.247	C	C	.	.			trans	-123.2	98.9	175.6	177.4	0	0	0	0	110.3	Y795 R796 R800 L801 M802	Y795-S798 CarbonylContact O-C 3.56Å; Y795-S798 PolarHBondContact O-N 2.78Å; R796-S798 VanDerWaalsContact C-N 3.33Å; S798-R800 PolarHBondContact O-N 3.5Å; S798-L801 PolarHBondContact O-N 3.4Å; S798-L801 WeakPolarHBondContact OG-CD1 3.29Å; S798-L801 WeakPolarHBondContact OG-CG 3.26Å; S798-L801 PolarHBondContact OG-N 2.82Å; S798-M802 PolarHBondContact O-N 3.48Å
799	P	85.3	Confident	88.9	Confident	102 Å²	102	48.1 Å²	48.1	66%	0.662	25%	0.246	S	C	*	.	H	α-helix	trans	-56	-28.2	-178.7	-28.7	36	0	0	0	114.4	C803	P799-C803 PolarHBondContact O-N 3.42Å; P799-C803 PolarHBondContact O-SG 3.36Å
800	R	87.8	Confident	88.7	Confident	88 Å²	88	48.3 Å²	48.3	33%	0.332	26%	0.256	S	S	.	.	H	α-helix	trans	-68.5	-51.7	173.6	-155.8	-158.5	76.6	169	12.2	111	S798 M802 C803 E804	S798-R800 PolarHBondContact O-N 3.5Å; R800-M802 VanDerWaalsContact C-N 3.29Å; R800-M802 PolarHBondContact O-N 3.4Å; R800-C803 PolarHBondContact O-N 3.44Å; R800-C803 VanDerWaalsContact O-N 3.1Å; R800-E804 WeakPolarHBondContact CD-OE1 3.23Å; R800-E804 WeakPolarHBondContact CG-OE1 3.26Å; R800-E804 IonicContact CZ-OE1 3.3Å; R800-E804 IonicContact CZ-OE2 3.19Å; R800-E804 IonicContact NE-OE1 3.52Å; R800-E804 PolarHBondContact NE-OE1 2.86Å; R800-E804 IonicContact NE-OE2 2.67Å; R800-E804 PolarHBondContact NE-OE2 3.14Å; R800-E804 IonicContact NH2-OE1 3Å; R800-E804 PolarHBondContact NH2-OE1 3.04Å; R800-E804 IonicContact NH2-OE2 3.18Å; R800-E804 PolarHBondContact NH2-OE2 3.12Å; R800-E804 WeakPolarHBondContact O-CG 3.29Å; R800-E804 PolarHBondContact O-N 3.39Å
801	L	86.9	Confident	88.6	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-32.1	178.4	-66.9	169.4	0	0	0	111.6	F794 Y795 S798 E804 L805 V852	F794-L801 HydrophobicContact CD1-CD1 4.14Å; F794-L801 HydrophobicContact CD2-CD1 4.26Å; F794-L801 HydrophobicContact CE1-CD1 3.75Å; F794-L801 HydrophobicContact CE1-CD2 4.39Å; F794-L801 HydrophobicContact CE2-CD1 3.89Å; F794-L801 HydrophobicContact CG-CD1 4.39Å; F794-L801 HydrophobicContact CZ-CD1 3.62Å; F794-L801 HydrophobicContact CZ-CD2 4.45Å; F794-L801 WeakPolarHBondContact O-CD1 3.36Å; Y795-L801 HydrophobicContact CD1-CB 3.87Å; Y795-L801 HydrophobicContact CE1-CB 4.33Å; S798-L801 PolarHBondContact O-N 3.4Å; S798-L801 WeakPolarHBondContact OG-CD1 3.29Å; S798-L801 WeakPolarHBondContact OG-CG 3.26Å; S798-L801 PolarHBondContact OG-N 2.82Å; L801-E804 WeakPolarHBondContact CD2-OE2 3.41Å; L801-L805 WeakPolarHBondContact O-CB 3.48Å; L801-L805 PolarHBondContact O-N 3.42Å; L801-V852 HydrophobicContact CD2-CG1 4.46Å; L801-V852 HydrophobicContact CD2-CG2 4Å
802	M	87	Confident	88.4	Confident	10 Å²	10	46.2 Å²	46.2	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-40.2	170.8	-76.6	-58.4	-69.6	0	0	112.9	Y795 S798 R800 R806 T816 E817	Y795-M802 VanDerWaalsContact C-SD 3.58Å; Y795-M802 VanDerWaalsContact O-CG 3.31Å; Y795-M802 WeakPolarHBondContact O-CG 3.49Å; S798-M802 PolarHBondContact O-N 3.48Å; R800-M802 VanDerWaalsContact C-N 3.29Å; R800-M802 PolarHBondContact O-N 3.4Å; M802-R806 WeakPolarHBondContact O-CB 3.21Å; M802-R806 PolarHBondContact O-N 3.22Å; M802-T816 HydrophobicContact CE-CG2 4.32Å; M802-T816 HydrophobicContact SD-CG2 4.19Å; M802-E817 HydrophobicContact CE-CG 3.57Å
803	C	86.9	Confident	88.3	Confident	64 Å²	64	46.1 Å²	46.1	43%	0.432	25%	0.247	S	C	.	.	H	α-helix	trans	-73.6	-34	177.7	-66.2	0	0	0	0	112.3	P799 R800 R806 S807	P799-C803 PolarHBondContact O-N 3.42Å; P799-C803 PolarHBondContact O-SG 3.36Å; R800-C803 PolarHBondContact O-N 3.44Å; R800-C803 VanDerWaalsContact O-N 3.1Å; C803-R806 PolarHBondContact SG-NH1 2.88Å; C803-R806 VanDerWaalsContact SG-NH1 3.42Å; C803-S807 PolarHBondContact O-N 2.78Å; C803-S807 PolarHBondContact O-OG 2.94Å
804	E	87.6	Confident	88.1	Confident	59 Å²	59	49.1 Å²	49.1	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-50	170.8	-70.1	161.4	173.9	0	0	109.8	R800 L801 R806 S807 T808 H848	R800-E804 WeakPolarHBondContact CD-OE1 3.23Å; R800-E804 WeakPolarHBondContact CG-OE1 3.26Å; R800-E804 IonicContact CZ-OE1 3.3Å; R800-E804 IonicContact CZ-OE2 3.19Å; R800-E804 IonicContact NE-OE1 3.52Å; R800-E804 PolarHBondContact NE-OE1 2.86Å; R800-E804 IonicContact NE-OE2 2.67Å; R800-E804 PolarHBondContact NE-OE2 3.14Å; R800-E804 IonicContact NH2-OE1 3Å; R800-E804 PolarHBondContact NH2-OE1 3.04Å; R800-E804 IonicContact NH2-OE2 3.18Å; R800-E804 PolarHBondContact NH2-OE2 3.12Å; R800-E804 WeakPolarHBondContact O-CG 3.29Å; R800-E804 PolarHBondContact O-N 3.39Å; L801-E804 WeakPolarHBondContact CD2-OE2 3.41Å; E804-R806 PolarHBondContact O-N 2.75Å; E804-S807 WeakPolarHBondContact O-CB 3.32Å; E804-S807 PolarHBondContact O-N 3.37Å; E804-S807 VanDerWaalsContact O-N 3.1Å; E804-T808 PolarHBondContact O-N 3.03Å; E804-T808 PolarHBondContact O-OG1 3.34Å; E804-H848 IonicContact OE2-NE2 2.77Å
805	L	87.3	Confident	87.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.8	-43.3	174.8	-170.5	79.1	0	0	0	112.7	Y795 L801 S807 T808 A809 C813 V845	Y795-L805 HydrophobicContact CD1-CB 3.81Å; Y795-L805 HydrophobicContact CD1-CD1 3.99Å; Y795-L805 HydrophobicContact CD1-CD2 3.96Å; Y795-L805 HydrophobicContact CD1-CG 4.14Å; Y795-L805 HydrophobicContact CD2-CD1 4.33Å; Y795-L805 HydrophobicContact CD2-CD2 4.25Å; Y795-L805 HydrophobicContact CE1-CB 4Å; Y795-L805 HydrophobicContact CE1-CD1 3.7Å; Y795-L805 HydrophobicContact CE1-CG 4.29Å; Y795-L805 HydrophobicContact CE2-CD1 4.05Å; Y795-L805 HydrophobicContact CG-CD1 4.32Å; Y795-L805 HydrophobicContact CG-CD2 3.84Å; Y795-L805 HydrophobicContact CG-CG 4.47Å; L801-L805 WeakPolarHBondContact O-CB 3.48Å; L801-L805 PolarHBondContact O-N 3.42Å; L805-S807 PolarHBondContact O-N 3.49Å; L805-T808 PolarHBondContact O-N 2.85Å; L805-T808 PolarHBondContact O-OG1 3.2Å; L805-A809 HydrophobicContact CD1-CB 3.66Å; L805-A809 HydrophobicContact CG-CB 4.18Å; L805-A809 CarbonylContact O-C 3.55Å; L805-A809 VanDerWaalsContact O-C 3.3Å; L805-A809 WeakPolarHBondContact O-CA 3.28Å; L805-A809 PolarHBondContact O-N 3.18Å; L805-C813 HydrophobicContact CD2-CB 3.91Å; L805-C813 HydrophobicContact CG-CB 4.11Å; L805-V845 HydrophobicContact CD1-CG2 4.23Å
806	R	88.6	Confident	87.6	Confident	116 Å²	116	49.5 Å²	49.5	44%	0.438	26%	0.261	S	S	.	.	H	α-helix	trans	-60.9	-20.6	177.8	-156	-179.2	-60.8	108.5	-3	113.1	M802 C803 E804 C813 E817	M802-R806 WeakPolarHBondContact O-CB 3.21Å; M802-R806 PolarHBondContact O-N 3.22Å; C803-R806 PolarHBondContact SG-NH1 2.88Å; C803-R806 VanDerWaalsContact SG-NH1 3.42Å; E804-R806 PolarHBondContact O-N 2.75Å; R806-C813 HydrophobicContact CB-CB 4.34Å; R806-C813 VanDerWaalsContact CB-SG 3.51Å; R806-C813 HydrophobicContact CG-CB 4.43Å; R806-E817 IonicContact CZ-OE1 2.68Å; R806-E817 IonicContact NE-OE1 3.25Å; R806-E817 PolarHBondContact NE-OE1 3.1Å; R806-E817 IonicContact NH2-OE1 3.84Å; R806-E817 PolarHBondContact NH2-OE1 3.47Å
807	S	87.2	Confident	87.4	Confident	105 Å²	105	49.1 Å²	49.1	73%	0.734	26%	0.262	S	S	*	.	H	α-helix	trans	-91.8	-18.3	179	-51.5	0	0	0	0	113.2	C803 E804 L805	C803-S807 PolarHBondContact O-N 2.78Å; C803-S807 PolarHBondContact O-OG 2.94Å; E804-S807 WeakPolarHBondContact O-CB 3.32Å; E804-S807 PolarHBondContact O-N 3.37Å; E804-S807 VanDerWaalsContact O-N 3.1Å; L805-S807 PolarHBondContact O-N 3.49Å
808	T	86.8	Confident	87	Confident	65 Å²	65	47.2 Å²	47.2	40%	0.399	26%	0.256	S	S	.	.	H	α-helix	trans	-114.8	-52.2	-176.7	55.1	0	0	0	0	112.5	E804 L805 E844	E804-T808 PolarHBondContact O-N 3.03Å; E804-T808 PolarHBondContact O-OG1 3.34Å; L805-T808 PolarHBondContact O-N 2.85Å; L805-T808 PolarHBondContact O-OG1 3.2Å; T808-E844 WeakPolarHBondContact O-CG 3.37Å
809	A	90.6	Very high	86.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.253	C	S	.	.			trans	-121.4	74	-176	0	0	0	0	0	110.2	L805 T811 C813 D841 E844 V845	L805-A809 HydrophobicContact CD1-CB 3.66Å; L805-A809 HydrophobicContact CG-CB 4.18Å; L805-A809 CarbonylContact O-C 3.55Å; L805-A809 VanDerWaalsContact O-C 3.3Å; L805-A809 WeakPolarHBondContact O-CA 3.28Å; L805-A809 PolarHBondContact O-N 3.18Å; A809-T811 PolarHBondContact O-N 2.93Å; A809-C813 VanDerWaalsContact O-CB 3.29Å; A809-C813 WeakPolarHBondContact O-CB 3.31Å; A809-C813 PolarHBondContact O-N 3.46Å; A809-D841 VanDerWaalsContact CA-OD2 3.3Å; A809-D841 WeakPolarHBondContact CA-OD2 3.44Å; A809-D841 HydrophobicContact CB-CB 3.58Å; A809-E844 HydrophobicContact CB-CB 4.17Å; A809-V845 HydrophobicContact CB-CG2 3.69Å
810	A	89.1	Confident	85.7	Confident	48 Å²	48	44.1 Å²	44.1	40%	0.397	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-32.9	-172.3	0	0	0	0	0	113.8	C813 E814 D841	A810-C813 PolarHBondContact O-N 2.85Å; A810-E814 WeakPolarHBondContact O-CG 3.39Å; A810-E814 PolarHBondContact O-N 3.38Å; A810-D841 PolarHBondContact N-OD2 3.2Å
811	T	90.3	Very high	85.1	Confident	33 Å²	33	42.6 Å²	42.6	20%	0.202	24%	0.24	C	C	.	.	H	α-helix	trans	-69.6	-48.8	-179.8	-31.7	0	0	0	0	110.7	A809 C813 E814 E815 A837 K840 D841	A809-T811 PolarHBondContact O-N 2.93Å; T811-C813 VanDerWaalsContact C-N 3.25Å; T811-C813 PolarHBondContact O-N 3.24Å; T811-E814 PolarHBondContact O-N 3.01Å; T811-E815 PolarHBondContact O-N 3.15Å; T811-E815 VanDerWaalsContact O-N 3.12Å; T811-A837 HydrophobicContact CG2-CB 3.86Å; T811-K840 HydrophobicContact CG2-CD 4.04Å; T811-K840 WeakPolarHBondContact OG1-CD 3.36Å; T811-K840 WeakPolarHBondContact OG1-CE 3.45Å; T811-K840 PolarHBondContact OG1-NZ 3.13Å; T811-D841 VanDerWaalsContact CA-OD2 3.29Å; T811-D841 WeakPolarHBondContact CA-OD2 3.48Å; T811-D841 VanDerWaalsContact CB-OD1 3.3Å; T811-D841 WeakPolarHBondContact CB-OD1 3.39Å; T811-D841 WeakPolarHBondContact CB-OD2 3.48Å; T811-D841 PolarHBondContact N-OD2 3.41Å; T811-D841 VanDerWaalsContact OG1-CG 3.31Å; T811-D841 PolarHBondContact OG1-OD1 3.27Å; T811-D841 PolarHBondContact OG1-OD2 3.37Å
812	L	90	Very high	84.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-66	-33.3	177.4	-174.2	63.2	0	0	0	110.8	L792 T816 V834 A837 L838 D841 V845	L792-L812 HydrophobicContact CD2-CD1 3.96Å; L812-T816 WeakPolarHBondContact O-CB 3.45Å; L812-T816 PolarHBondContact O-N 3.27Å; L812-T816 PolarHBondContact O-OG1 3.31Å; L812-V834 HydrophobicContact CD1-CG1 4.43Å; L812-A837 HydrophobicContact CB-CB 4.44Å; L812-A837 HydrophobicContact CD1-CB 4.32Å; L812-L838 HydrophobicContact CD1-CB 4.16Å; L812-L838 HydrophobicContact CD2-CD1 3.88Å; L812-D841 PolarHBondContact N-OD2 3.46Å; L812-V845 HydrophobicContact CD2-CG2 3.59Å
813	C	88.9	Confident	84.2	Confident	1 Å²	1	50 Å²	50	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-47.3	173	-168.6	0	0	0	0	112.4	L805 R806 A809 A810 T811 T816 E817	L805-C813 HydrophobicContact CD2-CB 3.91Å; L805-C813 HydrophobicContact CG-CB 4.11Å; R806-C813 HydrophobicContact CB-CB 4.34Å; R806-C813 VanDerWaalsContact CB-SG 3.51Å; R806-C813 HydrophobicContact CG-CB 4.43Å; A809-C813 VanDerWaalsContact O-CB 3.29Å; A809-C813 WeakPolarHBondContact O-CB 3.31Å; A809-C813 PolarHBondContact O-N 3.46Å; A810-C813 PolarHBondContact O-N 2.85Å; T811-C813 VanDerWaalsContact C-N 3.25Å; T811-C813 PolarHBondContact O-N 3.24Å; C813-T816 PolarHBondContact O-N 2.89Å; C813-E817 WeakPolarHBondContact O-CG 3.47Å; C813-E817 PolarHBondContact O-N 3.43Å
814	E	87.6	Confident	83.2	Confident	90 Å²	90	49.1 Å²	49.1	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-61.1	-50.5	177.9	-75.3	-177.7	174.3	0	0	111.7	A810 T811 T816 E817 F818	A810-E814 WeakPolarHBondContact O-CG 3.39Å; A810-E814 PolarHBondContact O-N 3.38Å; T811-E814 PolarHBondContact O-N 3.01Å; E814-T816 PolarHBondContact O-N 3.37Å; E814-E817 WeakPolarHBondContact O-CA 3.32Å; E814-E817 WeakPolarHBondContact O-CB 3.47Å; E814-E817 PolarHBondContact O-N 3.16Å; E814-F818 HydrophobicContact CB-CE2 4.28Å; E814-F818 WeakPolarHBondContact O-CD2 3.35Å; E814-F818 PolarHBondContact O-N 3.24Å
815	E	86.6	Confident	82.6	Confident	30 Å²	30	47.2 Å²	47.2	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-34.8	178.6	-63.6	-55.3	112.3	0	0	112.8	T811 E817 F818 L819 N833 V834 A837	T811-E815 PolarHBondContact O-N 3.15Å; T811-E815 VanDerWaalsContact O-N 3.12Å; E815-E817 PolarHBondContact O-N 3.38Å; E815-F818 PolarHBondContact O-N 2.92Å; E815-L819 WeakPolarHBondContact O-CG 3.45Å; E815-L819 PolarHBondContact O-N 2.91Å; E815-N833 HydrophobicContact CG-CB 4.24Å; E815-N833 WeakPolarHBondContact OE2-CB 3.47Å; E815-N833 PolarHBondContact OE2-ND2 3.17Å; E815-N833 VanDerWaalsContact OE2-ND2 3.08Å; E815-V834 HydrophobicContact CB-CG2 4.37Å; E815-A837 HydrophobicContact CB-CB 4.42Å; E815-A837 HydrophobicContact CG-CB 4.02Å
816	T	83.5	Confident	81.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-27.6	172.1	-56.8	0	0	0	0	112.2	L792 R796 M802 L812 C813 E814 I822	L792-T816 HydrophobicContact CD2-CG2 4.38Å; L792-T816 VanDerWaalsContact CD2-OG1 3.29Å; L792-T816 WeakPolarHBondContact CD2-OG1 3.1Å; R796-T816 HydrophobicContact CB-CG2 3.97Å; M802-T816 HydrophobicContact CE-CG2 4.32Å; M802-T816 HydrophobicContact SD-CG2 4.19Å; L812-T816 WeakPolarHBondContact O-CB 3.45Å; L812-T816 PolarHBondContact O-N 3.27Å; L812-T816 PolarHBondContact O-OG1 3.31Å; C813-T816 PolarHBondContact O-N 2.89Å; E814-T816 PolarHBondContact O-N 3.37Å; T816-I822 HydrophobicContact CG2-CD1 4.47Å
817	E	83.1	Confident	81.6	Confident	64 Å²	64	47.4 Å²	47.4	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-75.4	-37.7	172	-74.7	-175.5	-174.4	0	0	112.7	R796 M802 R806 C813 E814 E815	R796-E817 PolarHBondContact NH2-O 3.46Å; M802-E817 HydrophobicContact CE-CG 3.57Å; R806-E817 IonicContact CZ-OE1 2.68Å; R806-E817 IonicContact NE-OE1 3.25Å; R806-E817 PolarHBondContact NE-OE1 3.1Å; R806-E817 IonicContact NH2-OE1 3.84Å; R806-E817 PolarHBondContact NH2-OE1 3.47Å; C813-E817 WeakPolarHBondContact O-CG 3.47Å; C813-E817 PolarHBondContact O-N 3.43Å; E814-E817 WeakPolarHBondContact O-CA 3.32Å; E814-E817 WeakPolarHBondContact O-CB 3.47Å; E814-E817 PolarHBondContact O-N 3.16Å; E815-E817 PolarHBondContact O-N 3.38Å
818	F	80.1	Confident	81.5	Confident	80 Å²	80	42.4 Å²	42.4	35%	0.351	22%	0.221	S	C	.	.	H	α-helix	trans	-72.4	-31.5	-180	-71.2	-57.2	0	0	0	114.7	H242 V246 E814 E815 G820	H242-F818 AromaticContact CE1-CD1 3.85Å; H242-F818 AromaticContact CE1-CE1 3.98Å; V246-F818 HydrophobicContact CB-CZ 4.45Å; V246-F818 HydrophobicContact CG1-CE1 4.43Å; V246-F818 HydrophobicContact CG1-CZ 4.24Å; V246-F818 HydrophobicContact CG2-CE1 3.93Å; V246-F818 HydrophobicContact CG2-CZ 4.03Å; E814-F818 HydrophobicContact CB-CE2 4.28Å; E814-F818 WeakPolarHBondContact O-CD2 3.35Å; E814-F818 PolarHBondContact O-N 3.24Å; E815-F818 PolarHBondContact O-N 2.92Å; F818-G820 PolarHBondContact O-N 2.86Å
819	L	71.9	Confident	81.6	Confident	27 Å²	27	39.3 Å²	39.3	14%	0.141	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-5.4	-177.7	-83.2	169.7	0	0	0	116.6	L792 E815 D821 V825 I828 E831 V834	L792-L819 HydrophobicContact CD1-CD1 3.82Å; E815-L819 WeakPolarHBondContact O-CG 3.45Å; E815-L819 PolarHBondContact O-N 2.91Å; L819-D821 PolarHBondContact O-N 2.74Å; L819-V825 HydrophobicContact CD2-CG2 4.12Å; L819-I828 HydrophobicContact CD1-CD1 4.08Å; L819-I828 HydrophobicContact CD2-CD1 4.18Å; L819-E831 HydrophobicContact CD2-CG 4.04Å; L819-V834 HydrophobicContact CD1-CG1 4.1Å; L819-V834 HydrophobicContact CD1-CG2 3.68Å; L819-V834 HydrophobicContact CD2-CG2 3.92Å; L819-V834 HydrophobicContact CG-CG2 3.95Å
820	G	72.8	Confident	81.3	Confident	39 Å²	39	39.4 Å²	39.4	40%	0.402	20%	0.203	S	C	.	.			trans	70.7	-123.3	-179.4	0	0	0	0	0	112.6	R796 F818	R796-G820 PolarHBondContact NE-O 3.41Å; R796-G820 PolarHBondContact NH2-O 2.81Å; F818-G820 PolarHBondContact O-N 2.86Å
821	D	73.7	Confident	81.2	Confident	56 Å²	56	38.6 Å²	38.6	30%	0.299	19%	0.191	S	C	.	.			trans	-97.5	110.9	168.6	-173.6	-18.2	0	0	0	109.8	Y797 L819 R823 A824 V825	Y797-D821 VanDerWaalsContact OH-CG 3.29Å; Y797-D821 PolarHBondContact OH-OD1 2.9Å; L819-D821 PolarHBondContact O-N 2.74Å; D821-R823 PolarHBondContact O-N 3.33Å; D821-R823 VanDerWaalsContact OD1-CB 3.27Å; D821-R823 WeakPolarHBondContact OD1-CB 3.3Å; D821-R823 WeakPolarHBondContact OD1-CG 3.41Å; D821-R823 IonicContact OD1-CZ 3.08Å; D821-R823 PolarHBondContact OD1-N 3.08Å; D821-R823 IonicContact OD1-NE 3.64Å; D821-R823 PolarHBondContact OD1-NE 3.04Å; D821-R823 IonicContact OD1-NH2 2.99Å; D821-R823 IonicContact OD2-CZ 3.76Å; D821-R823 IonicContact OD2-NE 2.74Å; D821-R823 PolarHBondContact OD2-NE 3.4Å; D821-R823 VanDerWaalsContact OD2-NE 3.14Å; D821-R823 IonicContact OD2-NH2 2.65Å; D821-R823 PolarHBondContact OD2-NH2 3.31Å; D821-A824 HydrophobicContact CB-CB 4.49Å; D821-A824 PolarHBondContact O-N 3.33Å; D821-V825 PolarHBondContact O-N 2.9Å
822	I	81.2	Confident	81.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.7	-24.2	-179.7	-63.6	152.3	0	0	0	112.9	K789 L792 R796 T816 I828	K789-I822 HydrophobicContact CB-CG2 4.22Å; K789-I822 VanDerWaalsContact CE-O 3.29Å; K789-I822 WeakPolarHBondContact CE-O 3.47Å; K789-I822 HydrophobicContact CG-CG2 3.99Å; L792-I822 HydrophobicContact CB-CD1 3.6Å; L792-I822 HydrophobicContact CB-CG1 4.14Å; L792-I822 HydrophobicContact CB-CG2 4.21Å; R796-I822 HydrophobicContact CB-CD1 3.48Å; R796-I822 VanDerWaalsContact CB-CD1 3.48Å; R796-I822 HydrophobicContact CG-CD1 3.7Å; T816-I822 HydrophobicContact CG2-CD1 4.47Å; I822-I828 HydrophobicContact CG2-CD1 4.28Å
823	R	74.5	Confident	81.2	Confident	172 Å²	172	42.7 Å²	42.7	65%	0.649	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-76.2	-25	178.6	-57.8	171	-65	-174.9	4	112.8	Y797 D821	Y797-R823 PolarHBondContact OH-NE 2.94Å; D821-R823 PolarHBondContact O-N 3.33Å; D821-R823 VanDerWaalsContact OD1-CB 3.27Å; D821-R823 WeakPolarHBondContact OD1-CB 3.3Å; D821-R823 WeakPolarHBondContact OD1-CG 3.41Å; D821-R823 IonicContact OD1-CZ 3.08Å; D821-R823 PolarHBondContact OD1-N 3.08Å; D821-R823 IonicContact OD1-NE 3.64Å; D821-R823 PolarHBondContact OD1-NE 3.04Å; D821-R823 IonicContact OD1-NH2 2.99Å; D821-R823 IonicContact OD2-CZ 3.76Å; D821-R823 IonicContact OD2-NE 2.74Å; D821-R823 PolarHBondContact OD2-NE 3.4Å; D821-R823 VanDerWaalsContact OD2-NE 3.14Å; D821-R823 IonicContact OD2-NH2 2.65Å; D821-R823 PolarHBondContact OD2-NH2 3.31Å
824	A	65.7	Low	81.3	Confident	44 Å²	44	43 Å²	43	36%	0.364	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-95.1	1.5	177	0	0	0	0	0	113	D668 D821	D668-A824 HydrophobicContact CB-CB 4.1Å; D668-A824 WeakPolarHBondContact OD2-CA 3.47Å; D821-A824 HydrophobicContact CB-CB 4.49Å; D821-A824 PolarHBondContact O-N 3.33Å
825	V	74.5	Confident	81.5	Confident	19 Å²	19	38.7 Å²	38.7	12%	0.115	19%	0.193	C	C	.	.			trans	-84.3	118.1	169.8	-175.7	0	0	0	0	108	K789 L819 D821 W827 I828 E831	K789-V825 WeakPolarHBondContact CE-O 3.45Å; K789-V825 PolarHBondContact NZ-O 3.04Å; L819-V825 HydrophobicContact CD2-CG2 4.12Å; D821-V825 PolarHBondContact O-N 2.9Å; V825-W827 PolarHBondContact O-N 3.42Å; V825-I828 HydrophobicContact CB-CD1 3.84Å; V825-I828 HydrophobicContact CG1-CD1 3.71Å; V825-I828 HydrophobicContact CG1-CG1 4.41Å; V825-I828 HydrophobicContact CG2-CD1 4.25Å; V825-E831 HydrophobicContact CG1-CG 4.09Å
826	R	73	Confident	81.8	Confident	97 Å²	97	39.1 Å²	39.1	37%	0.366	20%	0.196	S	C	.	.	S	Bend	trans	-55.9	-54.8	-176	-165.4	-167.9	-165.8	103.3	-21.1	112.2	A734 N735 D771 K789	A734-R826 PolarHBondContact O-NH2 2.74Å; N735-R826 PolarHBondContact OD1-NH1 2.77Å; N735-R826 PolarHBondContact OD1-NH2 2.75Å; D771-R826 IonicContact OD1-CZ 2.64Å; D771-R826 IonicContact OD1-NE 3.61Å; D771-R826 PolarHBondContact OD1-NE 3.26Å; D771-R826 IonicContact OD1-NH2 2.68Å; D771-R826 IonicContact OD2-CZ 3.48Å; D771-R826 VanDerWaalsContact OD2-CZ 3.28Å; D771-R826 IonicContact OD2-NE 3.27Å; D771-R826 PolarHBondContact OD2-NE 3.42Å; D771-R826 VanDerWaalsContact OD2-NE 3.08Å; D771-R826 IonicContact OD2-NH2 3.98Å; D771-R826 PolarHBondContact OD2-NH2 2.69Å; K789-R826 PolarHBondContact NZ-O 2.84Å
827	W	82.8	Confident	82.2	Confident	23 Å²	23	39.2 Å²	39.2	9%	0.087	20%	0.197	C	C	.	.			trans	-136.3	108.1	179.6	-69.7	109.1	0	0	0	111	L767 L770 D771 S774 E785 V825 I829 G830	L767-W827 HydrophobicContact CD2-CB 3.97Å; L767-W827 HydrophobicContact CD2-CG 4.39Å; L770-W827 HydrophobicContact CB-CD2 4.18Å; L770-W827 HydrophobicContact CB-CG 4.2Å; L770-W827 HydrophobicContact CD1-CB 4.02Å; L770-W827 HydrophobicContact CD1-CG 4.1Å; D771-W827 PolarHBondContact OD1-NE1 3Å; S774-W827 VanDerWaalsContact CB-CH2 3.49Å; E785-W827 HydrophobicContact CB-CE3 3.95Å; E785-W827 HydrophobicContact CB-CZ3 3.75Å; E785-W827 HydrophobicContact CG-CE3 3.59Å; E785-W827 HydrophobicContact CG-CZ3 3.71Å; E785-W827 WeakPolarHBondContact OE1-CA 3.44Å; V825-W827 PolarHBondContact O-N 3.42Å; W827-I829 VanDerWaalsContact C-N 3.27Å; W827-I829 HydrophobicContact CB-CG1 4.24Å; W827-I829 HydrophobicContact CD2-CD1 4.48Å; W827-I829 HydrophobicContact CD2-CG1 4.41Å; W827-I829 HydrophobicContact CE3-CD1 3.58Å; W827-I829 HydrophobicContact CE3-CG1 3.75Å; W827-I829 HydrophobicContact CZ3-CD1 3.86Å; W827-G830 PolarHBondContact O-N 3.4Å; W827-G830 VanDerWaalsContact O-N 3.12Å
828	I	85.2	Confident	82.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.3	-34.1	169.1	-64.4	-66.2	0	0	0	110.7	E785 L788 K789 L792 L819 I822 V825 G830 E831 V834	E785-I828 PolarHBondContact OE1-N 3.35Å; E785-I828 PolarHBondContact OE2-N 3.03Å; L788-I828 HydrophobicContact CB-CB 4.43Å; L788-I828 HydrophobicContact CB-CG2 3.83Å; L788-I828 HydrophobicContact CD1-CG2 4.39Å; K789-I828 HydrophobicContact CD-CG1 4.49Å; K789-I828 HydrophobicContact CG-CB 4.5Å; K789-I828 HydrophobicContact CG-CG1 3.6Å; L792-I828 HydrophobicContact CD1-CD1 3.78Å; L792-I828 HydrophobicContact CD1-CG1 4.13Å; L792-I828 HydrophobicContact CD1-CG2 3.59Å; L819-I828 HydrophobicContact CD1-CD1 4.08Å; L819-I828 HydrophobicContact CD2-CD1 4.18Å; I822-I828 HydrophobicContact CG2-CD1 4.28Å; V825-I828 HydrophobicContact CB-CD1 3.84Å; V825-I828 HydrophobicContact CG1-CD1 3.71Å; V825-I828 HydrophobicContact CG1-CG1 4.41Å; V825-I828 HydrophobicContact CG2-CD1 4.25Å; I828-G830 PolarHBondContact O-N 3.05Å; I828-G830 VanDerWaalsContact O-N 3.11Å; I828-E831 PolarHBondContact O-N 3.19Å; I828-V834 HydrophobicContact CG2-CG1 4.31Å
829	I	88.1	Confident	83.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-64.6	-8.9	172.2	62.5	-175.7	0	0	0	114.3	L770 L781 L784 E785 L788 W827 L884 I888	L770-I829 HydrophobicContact CD1-CD1 4.47Å; L770-I829 HydrophobicContact CD1-CG1 3.91Å; L770-I829 HydrophobicContact CD2-CD1 3.71Å; L770-I829 HydrophobicContact CD2-CG1 4.01Å; L781-I829 HydrophobicContact CB-CD1 4.45Å; L781-I829 HydrophobicContact CD2-CD1 4.35Å; L784-I829 HydrophobicContact CD2-CG2 3.87Å; L784-I829 HydrophobicContact CG-CG2 3.74Å; E785-I829 HydrophobicContact CB-CD1 4.42Å; E785-I829 PolarHBondContact OE2-N 2.84Å; L788-I829 HydrophobicContact CD1-CG2 3.52Å; W827-I829 VanDerWaalsContact C-N 3.27Å; W827-I829 HydrophobicContact CB-CG1 4.24Å; W827-I829 HydrophobicContact CD2-CD1 4.48Å; W827-I829 HydrophobicContact CD2-CG1 4.41Å; W827-I829 HydrophobicContact CE3-CD1 3.58Å; W827-I829 HydrophobicContact CE3-CG1 3.75Å; W827-I829 HydrophobicContact CZ3-CD1 3.86Å; I829-L884 HydrophobicContact CB-CD1 4.37Å; I829-I888 VanDerWaalsContact O-CD1 3.28Å; I829-I888 WeakPolarHBondContact O-CD1 3.13Å
830	G	84.1	Confident	84.1	Confident	2 Å²	2	39.6 Å²	39.6	2%	0.021	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-92.3	-11.9	169.7	0	0	0	0	0	114.2	H766 W827 I828 Q832	H766-G830 PolarHBondContact NE2-O 2.8Å; W827-G830 PolarHBondContact O-N 3.4Å; W827-G830 VanDerWaalsContact O-N 3.12Å; I828-G830 PolarHBondContact O-N 3.05Å; I828-G830 VanDerWaalsContact O-N 3.11Å; G830-Q832 PolarHBondContact O-N 3.4Å; G830-Q832 VanDerWaalsContact O-N 3.16Å
831	E	87.8	Confident	85.1	Confident	31 Å²	31	38.4 Å²	38.4	15%	0.145	18%	0.182	C	C	.	.			trans	-88.3	83.1	-175.2	-60.5	-64	164.5	0	0	110.7	R764 L819 V825 I828 N833 V834 L835	R764-E831 IonicContact CZ-OE1 3.37Å; R764-E831 IonicContact CZ-OE2 2.77Å; R764-E831 IonicContact NH1-OE1 2.74Å; R764-E831 PolarHBondContact NH1-OE1 3.23Å; R764-E831 IonicContact NH1-OE2 2.65Å; R764-E831 PolarHBondContact NH1-OE2 3.3Å; R764-E831 IonicContact NH2-OE1 2.78Å; R764-E831 PolarHBondContact NH2-OE1 2.92Å; R764-E831 IonicContact NH2-OE2 3.02Å; R764-E831 PolarHBondContact NH2-OE2 3.05Å; L819-E831 HydrophobicContact CD2-CG 4.04Å; V825-E831 HydrophobicContact CG1-CG 4.09Å; I828-E831 PolarHBondContact O-N 3.19Å; E831-N833 VanDerWaalsContact C-N 3.27Å; E831-N833 PolarHBondContact O-N 3Å; E831-N833 VanDerWaalsContact O-N 3.13Å; E831-V834 HydrophobicContact CB-CB 4.06Å; E831-V834 HydrophobicContact CB-CG2 3.58Å; E831-V834 HydrophobicContact CG-CG2 4.49Å; E831-V834 WeakPolarHBondContact O-CB 3.14Å; E831-V834 PolarHBondContact O-N 2.95Å; E831-L835 PolarHBondContact O-N 2.84Å
832	Q	89.7	Confident	85.9	Confident	45 Å²	45	36 Å²	36	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-46.3	-44.5	-176.5	-177.5	174.3	-18	0	0	113.7	G830 V834 L835 N836 L885 I888	G830-Q832 PolarHBondContact O-N 3.4Å; G830-Q832 VanDerWaalsContact O-N 3.16Å; Q832-V834 VanDerWaalsContact C-N 3.28Å; Q832-V834 PolarHBondContact O-N 2.94Å; Q832-L835 PolarHBondContact O-N 3.47Å; Q832-N836 WeakPolarHBondContact O-CB 3.45Å; Q832-N836 PolarHBondContact O-N 3.27Å; Q832-L885 HydrophobicContact CB-CD2 4.43Å; Q832-L885 HydrophobicContact CG-CD2 3.81Å; Q832-I888 HydrophobicContact CB-CG2 4.29Å
833	N	89.5	Confident	86.4	Confident	77 Å²	77	39.5 Å²	39.5	41%	0.412	19%	0.187	S	C	.	.	H	α-helix	trans	-56.2	-41.2	177.3	-62.8	15.2	0	0	0	112.8	E815 E831 N836 A837	E815-N833 HydrophobicContact CG-CB 4.24Å; E815-N833 WeakPolarHBondContact OE2-CB 3.47Å; E815-N833 PolarHBondContact OE2-ND2 3.17Å; E815-N833 VanDerWaalsContact OE2-ND2 3.08Å; E831-N833 VanDerWaalsContact C-N 3.27Å; E831-N833 PolarHBondContact O-N 3Å; E831-N833 VanDerWaalsContact O-N 3.13Å; N833-N836 PolarHBondContact O-N 2.94Å; N833-A837 VanDerWaalsContact O-CB 3.23Å; N833-A837 WeakPolarHBondContact O-CB 3.35Å; N833-A837 PolarHBondContact O-N 2.83Å
834	V	91.3	Very high	87.2	Confident	6 Å²	6	35 Å²	35	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-72.8	-40.1	-174.3	-175.9	0	0	0	0	110.2	L792 L812 E815 L819 I828 E831 Q832 A837 L838	L792-V834 HydrophobicContact CD1-CG1 3.94Å; L792-V834 HydrophobicContact CD2-CG1 4.03Å; L812-V834 HydrophobicContact CD1-CG1 4.43Å; E815-V834 HydrophobicContact CB-CG2 4.37Å; L819-V834 HydrophobicContact CD1-CG1 4.1Å; L819-V834 HydrophobicContact CD1-CG2 3.68Å; L819-V834 HydrophobicContact CD2-CG2 3.92Å; L819-V834 HydrophobicContact CG-CG2 3.95Å; I828-V834 HydrophobicContact CG2-CG1 4.31Å; E831-V834 HydrophobicContact CB-CB 4.06Å; E831-V834 HydrophobicContact CB-CG2 3.58Å; E831-V834 HydrophobicContact CG-CG2 4.49Å; E831-V834 WeakPolarHBondContact O-CB 3.14Å; E831-V834 PolarHBondContact O-N 2.95Å; Q832-V834 VanDerWaalsContact C-N 3.28Å; Q832-V834 PolarHBondContact O-N 2.94Å; V834-A837 PolarHBondContact O-N 3.03Å; V834-L838 WeakPolarHBondContact O-CB 3.37Å; V834-L838 PolarHBondContact O-N 2.8Å
835	L	92.8	Very high	88.5	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-44.2	174.2	-58.9	-177.4	0	0	0	111	L788 E831 Q832 A837 L838 I839 I881 L885	L788-L835 HydrophobicContact CD1-CD2 3.92Å; E831-L835 PolarHBondContact O-N 2.84Å; Q832-L835 PolarHBondContact O-N 3.47Å; L835-A837 PolarHBondContact O-N 3.13Å; L835-L838 PolarHBondContact O-N 3.12Å; L835-I839 WeakPolarHBondContact O-CB 3.46Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 3.4Å; L835-I881 HydrophobicContact CB-CG2 4.17Å; L835-I881 HydrophobicContact CD1-CG2 4.38Å; L835-I881 HydrophobicContact CD2-CG2 4.1Å; L835-I881 HydrophobicContact CG-CG2 4.45Å; L835-L885 HydrophobicContact CB-CD1 4.05Å; L835-L885 HydrophobicContact CB-CD2 4.02Å; L835-L885 HydrophobicContact CB-CG 4.21Å; L835-L885 HydrophobicContact CD1-CD2 4.13Å; L835-L885 HydrophobicContact CD1-CG 4.14Å
836	N	92.7	Very high	89.3	Confident	39 Å²	39	32 Å²	32	21%	0.209	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-39.2	175.6	-76.8	0.8	0	0	0	112.1	Q832 N833 I839 K840 L885 Y929	Q832-N836 WeakPolarHBondContact O-CB 3.45Å; Q832-N836 PolarHBondContact O-N 3.27Å; N833-N836 PolarHBondContact O-N 2.94Å; N836-I839 PolarHBondContact O-N 3.4Å; N836-K840 VanDerWaalsContact O-CB 3.27Å; N836-K840 WeakPolarHBondContact O-CB 3.41Å; N836-K840 PolarHBondContact O-N 2.78Å; N836-L885 WeakPolarHBondContact OD1-CD1 3.49Å; N836-L885 WeakPolarHBondContact OD1-CD2 3.44Å; N836-Y929 PolarHBondContact ND2-OH 3.31Å; N836-Y929 WeakPolarHBondContact OD1-CE1 3.24Å
837	A	92.3	Very high	90.2	Very high	2 Å²	2	30 Å²	30	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-38.8	174.6	0	0	0	0	0	112.5	T811 L812 E815 N833 V834 L835 D841	T811-A837 HydrophobicContact CG2-CB 3.86Å; L812-A837 HydrophobicContact CB-CB 4.44Å; L812-A837 HydrophobicContact CD1-CB 4.32Å; E815-A837 HydrophobicContact CB-CB 4.42Å; E815-A837 HydrophobicContact CG-CB 4.02Å; N833-A837 VanDerWaalsContact O-CB 3.23Å; N833-A837 WeakPolarHBondContact O-CB 3.35Å; N833-A837 PolarHBondContact O-N 2.83Å; V834-A837 PolarHBondContact O-N 3.03Å; L835-A837 PolarHBondContact O-N 3.13Å; A837-D841 PolarHBondContact O-N 3.24Å; A837-D841 VanDerWaalsContact O-N 3.07Å
838	L	93.3	Very high	90.6	Very high	7 Å²	7	29.4 Å²	29.4	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-38.5	174.9	176.7	61.2	0	0	0	112.3	L788 L791 L812 V834 L835 Y842 V845 L872 I881	L788-L838 HydrophobicContact CD2-CD2 3.46Å; L788-L838 VanDerWaalsContact CD2-CD2 3.46Å; L791-L838 HydrophobicContact CD2-CD1 3.79Å; L791-L838 HydrophobicContact CD2-CD2 4.12Å; L812-L838 HydrophobicContact CD1-CB 4.16Å; L812-L838 HydrophobicContact CD2-CD1 3.88Å; V834-L838 WeakPolarHBondContact O-CB 3.37Å; V834-L838 PolarHBondContact O-N 2.8Å; L835-L838 PolarHBondContact O-N 3.12Å; L838-Y842 VanDerWaalsContact O-CA 3.26Å; L838-Y842 WeakPolarHBondContact O-CA 3.27Å; L838-Y842 WeakPolarHBondContact O-CB 3.11Å; L838-Y842 PolarHBondContact O-N 2.77Å; L838-Y842 VanDerWaalsContact O-N 3.16Å; L838-V845 HydrophobicContact CD1-CG1 4.42Å; L838-L872 HydrophobicContact CD1-CD2 4.35Å; L838-L872 HydrophobicContact CD2-CD2 4.39Å; L838-I881 HydrophobicContact CD2-CD1 4.38Å
839	I	91.2	Very high	91	Very high	31 Å²	31	29.4 Å²	29.4	16%	0.159	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-49.8	173.8	-79.6	166.2	0	0	0	110.6	L835 N836 D841 Y842 I881 Y882 L885	L835-I839 WeakPolarHBondContact O-CB 3.46Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 3.4Å; N836-I839 PolarHBondContact O-N 3.4Å; I839-D841 PolarHBondContact O-N 2.92Å; I839-Y842 WeakPolarHBondContact O-CB 3.43Å; I839-Y842 PolarHBondContact O-N 2.89Å; I839-I881 HydrophobicContact CD1-CG2 4.22Å; I839-Y882 HydrophobicContact CD1-CD1 3.97Å; I839-Y882 HydrophobicContact CD1-CD2 4.26Å; I839-Y882 HydrophobicContact CD1-CE1 3.73Å; I839-Y882 HydrophobicContact CD1-CE2 4Å; I839-Y882 HydrophobicContact CD1-CG 4.26Å; I839-Y882 HydrophobicContact CG1-CE1 4.26Å; I839-Y882 HydrophobicContact CG1-CE2 3.94Å; I839-Y882 HydrophobicContact CG2-CE1 4.2Å; I839-Y882 VanDerWaalsContact CG2-OH 3.27Å; I839-Y882 WeakPolarHBondContact CG2-OH 3.31Å; I839-L885 HydrophobicContact CD1-CD1 3.34Å
840	K	91	Very high	91.1	Very high	141 Å²	141	33.5 Å²	33.5	61%	0.613	17%	0.17	S	C	*	.	H	α-helix	trans	-63.4	-42.9	-175.5	-178.4	-171.3	165	-156.8	0	112.9	T811 N836	T811-K840 HydrophobicContact CG2-CD 4.04Å; T811-K840 WeakPolarHBondContact OG1-CD 3.36Å; T811-K840 WeakPolarHBondContact OG1-CE 3.45Å; T811-K840 PolarHBondContact OG1-NZ 3.13Å; N836-K840 VanDerWaalsContact O-CB 3.27Å; N836-K840 WeakPolarHBondContact O-CB 3.41Å; N836-K840 PolarHBondContact O-N 2.78Å
841	D	93.2	Very high	91.4	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.07	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	18	-178.7	-56.5	-1.1	0	0	0	112.2	A809 A810 T811 L812 A837 I839 L843 E844 V845	A809-D841 VanDerWaalsContact CA-OD2 3.3Å; A809-D841 WeakPolarHBondContact CA-OD2 3.44Å; A809-D841 HydrophobicContact CB-CB 3.58Å; A810-D841 PolarHBondContact N-OD2 3.2Å; T811-D841 VanDerWaalsContact CA-OD2 3.29Å; T811-D841 WeakPolarHBondContact CA-OD2 3.48Å; T811-D841 VanDerWaalsContact CB-OD1 3.3Å; T811-D841 WeakPolarHBondContact CB-OD1 3.39Å; T811-D841 WeakPolarHBondContact CB-OD2 3.48Å; T811-D841 PolarHBondContact N-OD2 3.41Å; T811-D841 VanDerWaalsContact OG1-CG 3.31Å; T811-D841 PolarHBondContact OG1-OD1 3.27Å; T811-D841 PolarHBondContact OG1-OD2 3.37Å; L812-D841 PolarHBondContact N-OD2 3.46Å; A837-D841 PolarHBondContact O-N 3.24Å; A837-D841 VanDerWaalsContact O-N 3.07Å; I839-D841 PolarHBondContact O-N 2.92Å; D841-L843 VanDerWaalsContact C-N 3.33Å; D841-L843 PolarHBondContact O-N 3.02Å; D841-E844 PolarHBondContact O-N 2.93Å; D841-V845 HydrophobicContact CB-CG2 4.44Å; D841-V845 VanDerWaalsContact O-CG2 3.31Å; D841-V845 WeakPolarHBondContact O-CG2 3.4Å; D841-V845 PolarHBondContact O-N 2.84Å
842	Y	91.3	Very high	91.5	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-40.7	-170.3	170.3	-100.1	0	0	0	113.4	L838 I839 V846 L872 I878 F941 I944	L838-Y842 VanDerWaalsContact O-CA 3.26Å; L838-Y842 WeakPolarHBondContact O-CA 3.27Å; L838-Y842 WeakPolarHBondContact O-CB 3.11Å; L838-Y842 PolarHBondContact O-N 2.77Å; L838-Y842 VanDerWaalsContact O-N 3.16Å; I839-Y842 WeakPolarHBondContact O-CB 3.43Å; I839-Y842 PolarHBondContact O-N 2.89Å; Y842-V846 HydrophobicContact CD2-CG2 4.15Å; Y842-V846 HydrophobicContact CE1-CG2 4.37Å; Y842-V846 HydrophobicContact CE2-CG2 3.79Å; Y842-V846 WeakPolarHBondContact O-CB 3.43Å; Y842-V846 VanDerWaalsContact O-CG2 3.28Å; Y842-V846 WeakPolarHBondContact O-CG2 3.48Å; Y842-V846 PolarHBondContact O-N 2.98Å; Y842-L872 HydrophobicContact CE2-CB 4.22Å; Y842-L872 PolarHBondContact OH-O 2.94Å; Y842-I878 HydrophobicContact CE2-CD1 4.02Å; Y842-I878 HydrophobicContact CE2-CG1 4.41Å; Y842-F941 HydrophobicContact CD1-CD1 4.17Å; Y842-F941 AromaticContact CD1-CE1 3.79Å; Y842-F941 HydrophobicContact CD1-CE1 3.79Å; Y842-F941 AromaticContact CE1-CD1 3.47Å; Y842-F941 HydrophobicContact CE1-CD1 3.47Å; Y842-F941 VanDerWaalsContact CE1-CD1 3.47Å; Y842-F941 AromaticContact CE1-CE1 3.56Å; Y842-F941 HydrophobicContact CE1-CE1 3.56Å; Y842-F941 HydrophobicContact CE2-CE1 4.4Å; Y842-F941 HydrophobicContact CG-CE1 4.3Å; Y842-F941 AromaticContact CZ-CD1 3.7Å; Y842-F941 AromaticContact CZ-CE1 3.91Å; Y842-I944 HydrophobicContact CD1-CD1 4.38Å; Y842-I944 HydrophobicContact CE1-CD1 3.57Å
843	L	89.9	Confident	91.5	Very high	73 Å²	73	37 Å²	37	38%	0.382	19%	0.19	S	C	.	.	H	α-helix	trans	-67.5	-41	-178	-73	179.6	0	0	0	111.5	D841 V846 A847 N942 I944	D841-L843 VanDerWaalsContact C-N 3.33Å; D841-L843 PolarHBondContact O-N 3.02Å; L843-V846 PolarHBondContact O-N 3.49Å; L843-A847 VanDerWaalsContact O-CB 3.23Å; L843-A847 WeakPolarHBondContact O-CB 3.38Å; L843-A847 PolarHBondContact O-N 3.28Å; L843-N942 HydrophobicContact CD1-CB 4.37Å; L843-N942 HydrophobicContact CD2-CB 3.71Å; L843-N942 WeakPolarHBondContact CD2-O 3.43Å; L843-N942 HydrophobicContact CG-CB 4.22Å; L843-I944 HydrophobicContact CD2-CD1 3.65Å
844	E	92.7	Very high	91.3	Very high	78 Å²	78	37.2 Å²	37.2	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-70.6	-43.1	-177.6	-65.8	65.2	-145	0	0	110.1	T808 A809 D841 A847 H848	T808-E844 WeakPolarHBondContact O-CG 3.37Å; A809-E844 HydrophobicContact CB-CB 4.17Å; D841-E844 PolarHBondContact O-N 2.93Å; E844-A847 PolarHBondContact O-N 3.32Å; E844-H848 VanDerWaalsContact O-CB 3.31Å; E844-H848 WeakPolarHBondContact O-CB 3.33Å; E844-H848 PolarHBondContact O-N 2.96Å
845	V	92.6	Very high	91	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-45.6	172.6	175	0	0	0	0	111.2	L791 L805 A809 L812 L838 D841 H848 L849 L872	L791-V845 HydrophobicContact CD1-CG1 4.41Å; L805-V845 HydrophobicContact CD1-CG2 4.23Å; A809-V845 HydrophobicContact CB-CG2 3.69Å; L812-V845 HydrophobicContact CD2-CG2 3.59Å; L838-V845 HydrophobicContact CD1-CG1 4.42Å; D841-V845 HydrophobicContact CB-CG2 4.44Å; D841-V845 VanDerWaalsContact O-CG2 3.31Å; D841-V845 WeakPolarHBondContact O-CG2 3.4Å; D841-V845 PolarHBondContact O-N 2.84Å; V845-H848 PolarHBondContact O-N 2.97Å; V845-L849 HydrophobicContact CG1-CD1 3.94Å; V845-L849 WeakPolarHBondContact O-CB 3.38Å; V845-L849 VanDerWaalsContact O-CG 3.3Å; V845-L849 WeakPolarHBondContact O-CG 3.21Å; V845-L849 PolarHBondContact O-N 3.22Å; V845-L872 HydrophobicContact CG1-CD1 3.81Å
846	V	92.2	Very high	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.8	-36.7	178.7	167.3	0	0	0	0	112	Y842 L843 K850 L869 L872 I944	Y842-V846 HydrophobicContact CD2-CG2 4.15Å; Y842-V846 HydrophobicContact CE1-CG2 4.37Å; Y842-V846 HydrophobicContact CE2-CG2 3.79Å; Y842-V846 WeakPolarHBondContact O-CB 3.43Å; Y842-V846 VanDerWaalsContact O-CG2 3.28Å; Y842-V846 WeakPolarHBondContact O-CG2 3.48Å; Y842-V846 PolarHBondContact O-N 2.98Å; L843-V846 PolarHBondContact O-N 3.49Å; V846-K850 HydrophobicContact CG1-CD 4.18Å; V846-K850 VanDerWaalsContact CG1-CE 3.47Å; V846-K850 WeakPolarHBondContact O-CD 3.39Å; V846-K850 VanDerWaalsContact O-CG 3.25Å; V846-K850 WeakPolarHBondContact O-CG 3.29Å; V846-K850 PolarHBondContact O-N 3.4Å; V846-L869 HydrophobicContact CG1-CD1 3.83Å; V846-L872 HydrophobicContact CG2-CB 3.98Å; V846-L872 HydrophobicContact CG2-CD1 3.92Å; V846-I944 HydrophobicContact CB-CD1 4.18Å; V846-I944 HydrophobicContact CG1-CD1 3.69Å; V846-I944 HydrophobicContact CG1-CG1 4.4Å
847	A	90.9	Very high	88.9	Confident	55 Å²	55	53 Å²	53	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-46.4	174.4	0	0	0	0	0	111.4	L843 E844 K850 E851	L843-A847 VanDerWaalsContact O-CB 3.23Å; L843-A847 WeakPolarHBondContact O-CB 3.38Å; L843-A847 PolarHBondContact O-N 3.28Å; E844-A847 PolarHBondContact O-N 3.32Å; A847-K850 WeakPolarHBondContact O-CB 3.26Å; A847-K850 PolarHBondContact O-N 2.68Å; A847-E851 PolarHBondContact O-N 3.29Å
848	H	92.1	Very high	88	Confident	10 Å²	10	58.5 Å²	58.5	5%	0.046	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-41.6	178.1	-176.9	-112.9	0	0	0	112.5	Y795 E804 E844 V845 K850 E851 V852	Y795-H848 AromaticContact CE1-CE1 3.68Å; Y795-H848 AromaticContact CE1-ND1 3.48Å; Y795-H848 WeakPolarHBondContact CE1-ND1 3.48Å; Y795-H848 AromaticContact CZ-ND1 3.7Å; Y795-H848 PolarHBondContact OH-ND1 3.16Å; E804-H848 IonicContact OE2-NE2 2.77Å; E844-H848 VanDerWaalsContact O-CB 3.31Å; E844-H848 WeakPolarHBondContact O-CB 3.33Å; E844-H848 PolarHBondContact O-N 2.96Å; V845-H848 PolarHBondContact O-N 2.97Å; H848-K850 VanDerWaalsContact C-N 3.33Å; H848-K850 PolarHBondContact O-N 3.01Å; H848-E851 PolarHBondContact O-N 2.97Å; H848-V852 WeakPolarHBondContact O-CG2 3.47Å; H848-V852 PolarHBondContact O-N 3.41Å
849	L	92.2	Very high	87.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-35.9	174.6	-73.2	169.9	0	0	0	112.5	L791 F794 V845 S853 A865 L868 L869 L872	L791-L849 HydrophobicContact CD1-CD1 4.02Å; F794-L849 HydrophobicContact CD1-CD2 4.26Å; F794-L849 HydrophobicContact CE1-CD2 3.81Å; V845-L849 HydrophobicContact CG1-CD1 3.94Å; V845-L849 WeakPolarHBondContact O-CB 3.38Å; V845-L849 VanDerWaalsContact O-CG 3.3Å; V845-L849 WeakPolarHBondContact O-CG 3.21Å; V845-L849 PolarHBondContact O-N 3.22Å; L849-S853 WeakPolarHBondContact O-CB 3.4Å; L849-S853 PolarHBondContact O-N 3.11Å; L849-S853 PolarHBondContact O-OG 3.43Å; L849-A865 HydrophobicContact CD2-CB 4.02Å; L849-L868 HydrophobicContact CD1-CB 4.12Å; L849-L868 HydrophobicContact CD2-CB 4.22Å; L849-L868 HydrophobicContact CD2-CD1 4.37Å; L849-L869 HydrophobicContact CB-CB 4.28Å; L849-L872 HydrophobicContact CD1-CD1 3.69Å
850	K	90.9	Very high	86.9	Confident	86 Å²	86	65.9 Å²	65.9	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-49.3	170.9	-74.8	163.1	-175.8	168.6	0	110.9	V846 A847 H848 S853 S854 L869	V846-K850 HydrophobicContact CG1-CD 4.18Å; V846-K850 VanDerWaalsContact CG1-CE 3.47Å; V846-K850 WeakPolarHBondContact O-CD 3.39Å; V846-K850 VanDerWaalsContact O-CG 3.25Å; V846-K850 WeakPolarHBondContact O-CG 3.29Å; V846-K850 PolarHBondContact O-N 3.4Å; A847-K850 WeakPolarHBondContact O-CB 3.26Å; A847-K850 PolarHBondContact O-N 2.68Å; H848-K850 VanDerWaalsContact C-N 3.33Å; H848-K850 PolarHBondContact O-N 3.01Å; K850-S853 PolarHBondContact O-N 3.24Å; K850-S853 PolarHBondContact O-OG 3.37Å; K850-S854 PolarHBondContact O-N 3.14Å; K850-L869 HydrophobicContact CB-CD2 4.42Å; K850-L869 HydrophobicContact CG-CD1 3.84Å; K850-L869 HydrophobicContact CG-CD2 3.6Å; K850-L869 HydrophobicContact CG-CG 4.4Å
851	E	90.1	Very high	86.5	Confident	114 Å²	114	60.4 Å²	60.4	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-55	177.5	-170.7	-174.1	157.6	0	0	111.3	A847 H848 S853 S854 Q855	A847-E851 PolarHBondContact O-N 3.29Å; H848-E851 PolarHBondContact O-N 2.97Å; E851-S853 VanDerWaalsContact C-N 3.31Å; E851-S853 PolarHBondContact O-N 3.48Å; E851-S854 WeakPolarHBondContact O-CB 3.11Å; E851-S854 PolarHBondContact O-N 2.68Å; E851-S854 PolarHBondContact O-OG 3.14Å; E851-Q855 PolarHBondContact O-N 2.72Å
852	V	89.1	Confident	86.2	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-37	-178.8	179.7	0	0	0	0	111.9	F794 L801 H848 S854 Q855 S862 A865	F794-V852 HydrophobicContact CZ-CG1 4.05Å; L801-V852 HydrophobicContact CD2-CG1 4.46Å; L801-V852 HydrophobicContact CD2-CG2 4Å; H848-V852 WeakPolarHBondContact O-CG2 3.47Å; H848-V852 PolarHBondContact O-N 3.41Å; V852-S854 PolarHBondContact O-N 2.78Å; V852-Q855 WeakPolarHBondContact O-CB 3.44Å; V852-Q855 PolarHBondContact O-N 2.85Å; V852-Q855 VanDerWaalsContact O-N 3.12Å; V852-S862 PolarHBondContact O-OG 2.74Å; V852-S862 VanDerWaalsContact O-OG 3.11Å; V852-A865 HydrophobicContact CB-CB 4.16Å; V852-A865 HydrophobicContact CG1-CB 3.97Å
853	S	90.5	Very high	86.1	Confident	34 Å²	34	62.9 Å²	62.9	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-19.9	174.7	75.1	0	0	0	0	114.1	L849 K850 E851	L849-S853 WeakPolarHBondContact O-CB 3.4Å; L849-S853 PolarHBondContact O-N 3.11Å; L849-S853 PolarHBondContact O-OG 3.43Å; K850-S853 PolarHBondContact O-N 3.24Å; K850-S853 PolarHBondContact O-OG 3.37Å; E851-S853 VanDerWaalsContact C-N 3.31Å; E851-S853 PolarHBondContact O-N 3.48Å
854	S	86.1	Confident	86.1	Confident	82 Å²	82	62.3 Å²	62.3	57%	0.573	35%	0.35	S	S	*	.	H	α-helix	trans	-88.8	-10.3	176.3	77.2	0	0	0	0	114.1	K850 E851 V852 T856	K850-S854 PolarHBondContact O-N 3.14Å; E851-S854 WeakPolarHBondContact O-CB 3.11Å; E851-S854 PolarHBondContact O-N 2.68Å; E851-S854 PolarHBondContact O-OG 3.14Å; V852-S854 PolarHBondContact O-N 2.78Å; S854-T856 PolarHBondContact O-N 3.06Å
855	Q	84.8	Confident	86	Confident	53 Å²	53	58.6 Å²	58.6	25%	0.248	33%	0.333	C	S	.	.			trans	-77.3	86.9	-175.8	-66.8	-179.8	11.6	0	0	111.9	E851 V852 Q857 R858 S862	E851-Q855 PolarHBondContact O-N 2.72Å; V852-Q855 WeakPolarHBondContact O-CB 3.44Å; V852-Q855 PolarHBondContact O-N 2.85Å; V852-Q855 VanDerWaalsContact O-N 3.12Å; Q855-Q857 PolarHBondContact O-N 2.95Å; Q855-R858 PolarHBondContact O-N 2.73Å; Q855-R858 VanDerWaalsContact O-N 3.12Å; Q855-S862 PolarHBondContact O-OG 2.97Å
856	T	68.9	Low	85.9	Confident	136 Å²	136	62.3 Å²	62.3	83%	0.834	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-17.9	-177.9	54.6	0	0	0	0	115.8	S854 R858	S854-T856 PolarHBondContact O-N 3.06Å; T856-R858 VanDerWaalsContact C-N 3.31Å; T856-R858 PolarHBondContact O-N 3.07Å
857	Q	70.9	Confident	85.9	Confident	187 Å²	187	64.6 Å²	64.6	87%	0.874	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.6	179.4	-63.7	-177.7	-3.1	0	0	114.7	Q855	Q855-Q857 PolarHBondContact O-N 2.95Å
858	R	74.8	Confident	86	Confident	119 Å²	119	62 Å²	62	45%	0.449	35%	0.35	S	S	.	.			trans	-135.7	71.7	-178.6	-68.2	-176.3	170.8	-167.8	-5.5	111.2	Q855 T856 D860 A861 S862	Q855-R858 PolarHBondContact O-N 2.73Å; Q855-R858 VanDerWaalsContact O-N 3.12Å; T856-R858 VanDerWaalsContact C-N 3.31Å; T856-R858 PolarHBondContact O-N 3.07Å; R858-D860 VanDerWaalsContact C-N 3.33Å; R858-D860 PolarHBondContact O-N 3.11Å; R858-A861 HydrophobicContact CB-CB 4.09Å; R858-A861 PolarHBondContact O-N 3.37Å; R858-S862 WeakPolarHBondContact O-CB 3.35Å; R858-S862 PolarHBondContact O-N 3Å; R858-S862 PolarHBondContact O-OG 3.31Å
859	A	78.1	Confident	86	Confident	72 Å²	72	62.1 Å²	62.1	60%	0.595	35%	0.351	S	S	*	.	H	α-helix	trans	-49	-48.5	-173.5	0	0	0	0	0	113.6	S862 A863	A859-S862 PolarHBondContact O-N 2.87Å; A859-A863 VanDerWaalsContact O-CB 3.32Å; A859-A863 WeakPolarHBondContact O-CB 3.38Å; A859-A863 PolarHBondContact O-N 2.9Å
860	D	81.9	Confident	85.9	Confident	120 Å²	120	66.9 Å²	66.9	64%	0.642	37%	0.373	S	S	*	.	H	α-helix	trans	-67.1	-46	-177.4	-51	-56.7	0	0	0	112.6	R858 S862 A863 I864	R858-D860 VanDerWaalsContact C-N 3.33Å; R858-D860 PolarHBondContact O-N 3.11Å; D860-S862 VanDerWaalsContact C-N 3.31Å; D860-S862 PolarHBondContact O-N 3.14Å; D860-A863 PolarHBondContact O-N 2.76Å; D860-I864 WeakPolarHBondContact O-CG1 3.33Å; D860-I864 PolarHBondContact O-N 3.06Å
861	A	83.1	Confident	85.9	Confident	26 Å²	26	63.2 Å²	63.2	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-35.3	177.9	0	0	0	0	0	111.8	F794 R858 I864 A865	F794-A861 HydrophobicContact CE2-CB 4.34Å; F794-A861 WeakPolarHBondContact CE2-O 3.34Å; R858-A861 HydrophobicContact CB-CB 4.09Å; R858-A861 PolarHBondContact O-N 3.37Å; A861-I864 PolarHBondContact O-N 3.48Å; A861-A865 VanDerWaalsContact O-CB 3.31Å; A861-A865 WeakPolarHBondContact O-CB 3.43Å; A861-A865 PolarHBondContact O-N 3.44Å
862	S	86.9	Confident	85.9	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.084	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-35.2	177.8	-53	0	0	0	0	111.8	V852 Q855 R858 A859 D860 A865 L866	V852-S862 PolarHBondContact O-OG 2.74Å; V852-S862 VanDerWaalsContact O-OG 3.11Å; Q855-S862 PolarHBondContact O-OG 2.97Å; R858-S862 WeakPolarHBondContact O-CB 3.35Å; R858-S862 PolarHBondContact O-N 3Å; R858-S862 PolarHBondContact O-OG 3.31Å; A859-S862 PolarHBondContact O-N 2.87Å; D860-S862 VanDerWaalsContact C-N 3.31Å; D860-S862 PolarHBondContact O-N 3.14Å; S862-A865 PolarHBondContact O-N 3Å; S862-L866 VanDerWaalsContact O-CB 3.22Å; S862-L866 WeakPolarHBondContact O-CB 3.23Å; S862-L866 PolarHBondContact O-N 3.19Å
863	A	88.9	Confident	85.9	Confident	59 Å²	59	59.1 Å²	59.1	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-41.7	172.2	0	0	0	0	0	111.8	A859 D860 L866 A867	A859-A863 VanDerWaalsContact O-CB 3.32Å; A859-A863 WeakPolarHBondContact O-CB 3.38Å; A859-A863 PolarHBondContact O-N 2.9Å; D860-A863 PolarHBondContact O-N 2.76Å; A863-L866 PolarHBondContact O-N 3.24Å; A863-A867 PolarHBondContact O-N 2.82Å
864	I	90.2	Very high	85.7	Confident	61 Å²	61	58.7 Å²	58.7	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-64.4	-47.5	173	-66.8	164.4	0	0	0	110.6	F794 D860 A861 L866 A867 L868	F794-I864 HydrophobicContact CB-CG2 4.42Å; F794-I864 HydrophobicContact CD2-CB 4.17Å; F794-I864 HydrophobicContact CD2-CG2 3.46Å; F794-I864 VanDerWaalsContact CD2-CG2 3.46Å; F794-I864 HydrophobicContact CE2-CB 4.17Å; F794-I864 HydrophobicContact CE2-CG2 3.9Å; F794-I864 HydrophobicContact CG-CG2 4.11Å; D860-I864 WeakPolarHBondContact O-CG1 3.33Å; D860-I864 PolarHBondContact O-N 3.06Å; A861-I864 PolarHBondContact O-N 3.48Å; I864-L866 VanDerWaalsContact C-N 3.27Å; I864-L866 PolarHBondContact O-N 3.15Å; I864-A867 PolarHBondContact O-N 2.97Å; I864-A867 VanDerWaalsContact O-N 3.12Å; I864-L868 HydrophobicContact CG2-CD1 3.83Å; I864-L868 HydrophobicContact CG2-CG 4.28Å; I864-L868 WeakPolarHBondContact O-CG 3.33Å; I864-L868 PolarHBondContact O-N 3.38Å
865	A	90.3	Very high	85.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.7	-39.1	176.7	0	0	0	0	0	112.2	F794 L849 V852 A861 S862 L869	F794-A865 HydrophobicContact CE1-CB 4.4Å; F794-A865 HydrophobicContact CZ-CB 3.88Å; L849-A865 HydrophobicContact CD2-CB 4.02Å; V852-A865 HydrophobicContact CB-CB 4.16Å; V852-A865 HydrophobicContact CG1-CB 3.97Å; A861-A865 VanDerWaalsContact O-CB 3.31Å; A861-A865 WeakPolarHBondContact O-CB 3.43Å; A861-A865 PolarHBondContact O-N 3.44Å; S862-A865 PolarHBondContact O-N 3Å; A865-L869 WeakPolarHBondContact O-CB 3.38Å; A865-L869 PolarHBondContact O-N 2.86Å
866	L	91.1	Very high	85.7	Confident	79 Å²	79	54.3 Å²	54.3	41%	0.414	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-36.2	175.9	-178.3	59.9	0	0	0	112.6	S862 A863 I864 Q870	S862-L866 VanDerWaalsContact O-CB 3.22Å; S862-L866 WeakPolarHBondContact O-CB 3.23Å; S862-L866 PolarHBondContact O-N 3.19Å; A863-L866 PolarHBondContact O-N 3.24Å; I864-L866 VanDerWaalsContact C-N 3.27Å; I864-L866 PolarHBondContact O-N 3.15Å; L866-Q870 VanDerWaalsContact O-CG 3.26Å; L866-Q870 WeakPolarHBondContact O-CG 3.5Å; L866-Q870 PolarHBondContact O-N 3.47Å
867	A	91.8	Very high	86.7	Confident	48 Å²	48	48.8 Å²	48.8	40%	0.397	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-46.1	174.4	0	0	0	0	0	111.6	A863 I864 L869 Q870 F871	A863-A867 PolarHBondContact O-N 2.82Å; I864-A867 PolarHBondContact O-N 2.97Å; I864-A867 VanDerWaalsContact O-N 3.12Å; A867-L869 VanDerWaalsContact C-N 3.32Å; A867-L869 PolarHBondContact O-N 3.49Å; A867-Q870 WeakPolarHBondContact O-CB 3.28Å; A867-Q870 PolarHBondContact O-N 2.86Å; A867-Q870 VanDerWaalsContact O-N 3.08Å; A867-F871 PolarHBondContact O-N 3.26Å
868	L	92.9	Very high	87.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-38.4	175.6	-67.2	173.7	0	0	0	112.2	Q790 L791 F794 L849 I864 F871 L872	Q790-L868 HydrophobicContact CB-CD2 4.16Å; Q790-L868 HydrophobicContact CG-CD2 4.09Å; L791-L868 HydrophobicContact CB-CD2 3.94Å; L791-L868 HydrophobicContact CD1-CB 4.36Å; L791-L868 HydrophobicContact CD1-CD1 4.09Å; L791-L868 HydrophobicContact CD1-CD2 4.41Å; F794-L868 HydrophobicContact CB-CD1 3.78Å; F794-L868 HydrophobicContact CD1-CD1 3.89Å; F794-L868 HydrophobicContact CD2-CD1 4.43Å; F794-L868 HydrophobicContact CG-CD1 3.79Å; L849-L868 HydrophobicContact CD1-CB 4.12Å; L849-L868 HydrophobicContact CD2-CB 4.22Å; L849-L868 HydrophobicContact CD2-CD1 4.37Å; I864-L868 HydrophobicContact CG2-CD1 3.83Å; I864-L868 HydrophobicContact CG2-CG 4.28Å; I864-L868 WeakPolarHBondContact O-CG 3.33Å; I864-L868 PolarHBondContact O-N 3.38Å; L868-F871 WeakPolarHBondContact O-CB 3.2Å; L868-F871 PolarHBondContact O-N 2.97Å; L868-L872 PolarHBondContact O-N 3.48Å
869	L	92	Very high	88.3	Confident	13 Å²	13	34.6 Å²	34.6	7%	0.068	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-37.4	172	177.1	61.8	0	0	0	112.2	V846 L849 K850 A865 A867 M873	V846-L869 HydrophobicContact CG1-CD1 3.83Å; L849-L869 HydrophobicContact CB-CB 4.28Å; K850-L869 HydrophobicContact CB-CD2 4.42Å; K850-L869 HydrophobicContact CG-CD1 3.84Å; K850-L869 HydrophobicContact CG-CD2 3.6Å; K850-L869 HydrophobicContact CG-CG 4.4Å; A865-L869 WeakPolarHBondContact O-CB 3.38Å; A865-L869 PolarHBondContact O-N 2.86Å; A867-L869 VanDerWaalsContact C-N 3.32Å; A867-L869 PolarHBondContact O-N 3.49Å; L869-M873 HydrophobicContact CD1-CG 4.15Å; L869-M873 HydrophobicContact CD1-SD 3.9Å; L869-M873 HydrophobicContact CG-SD 4.1Å; L869-M873 WeakPolarHBondContact O-CB 3.43Å; L869-M873 VanDerWaalsContact O-CG 3.24Å; L869-M873 WeakPolarHBondContact O-CG 3.5Å; L869-M873 PolarHBondContact O-N 2.91Å
870	Q	90.4	Very high	88.9	Confident	99 Å²	99	31.3 Å²	31.3	46%	0.463	18%	0.181	S	C	.	.	H	α-helix	trans	-67	-39.3	175.1	-76.6	176.2	54.1	0	0	112.1	L866 A867 M873 D874	L866-Q870 VanDerWaalsContact O-CG 3.26Å; L866-Q870 WeakPolarHBondContact O-CG 3.5Å; L866-Q870 PolarHBondContact O-N 3.47Å; A867-Q870 WeakPolarHBondContact O-CB 3.28Å; A867-Q870 PolarHBondContact O-N 2.86Å; A867-Q870 VanDerWaalsContact O-N 3.08Å; Q870-M873 PolarHBondContact O-N 3.46Å; Q870-D874 PolarHBondContact O-N 2.89Å
871	F	91.6	Very high	89.5	Confident	10 Å²	10	25.8 Å²	25.8	4%	0.044	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-51.7	172.3	158.2	-111.8	0	0	0	111.8	L784 N787 L788 A867 L868 M873 D874	L784-F871 HydrophobicContact CD1-CE2 3.59Å; L784-F871 HydrophobicContact CD1-CZ 3.69Å; N787-F871 HydrophobicContact CB-CB 4.48Å; N787-F871 HydrophobicContact CB-CD1 3.89Å; N787-F871 HydrophobicContact CB-CD2 3.6Å; N787-F871 HydrophobicContact CB-CE1 3.96Å; N787-F871 HydrophobicContact CB-CE2 3.66Å; N787-F871 HydrophobicContact CB-CG 3.72Å; N787-F871 HydrophobicContact CB-CZ 3.85Å; N787-F871 WeakPolarHBondContact ND2-CD2 3.27Å; L788-F871 HydrophobicContact CD2-CE1 4.1Å; L788-F871 HydrophobicContact CD2-CZ 3.98Å; L788-F871 HydrophobicContact CG-CE1 4.43Å; L788-F871 HydrophobicContact CG-CZ 4Å; A867-F871 PolarHBondContact O-N 3.26Å; L868-F871 WeakPolarHBondContact O-CB 3.2Å; L868-F871 PolarHBondContact O-N 2.97Å; F871-M873 PolarHBondContact O-N 2.86Å; F871-D874 WeakPolarHBondContact O-CB 3.47Å; F871-D874 PolarHBondContact O-N 3.34Å
872	L	90.4	Very high	90	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-20.5	178.9	-67.8	179	0	0	0	113.5	L791 L838 Y842 V845 V846 L849 L868 I878	L791-L872 HydrophobicContact CD2-CD1 4.37Å; L791-L872 HydrophobicContact CD2-CD2 4.35Å; L838-L872 HydrophobicContact CD1-CD2 4.35Å; L838-L872 HydrophobicContact CD2-CD2 4.39Å; Y842-L872 HydrophobicContact CE2-CB 4.22Å; Y842-L872 PolarHBondContact OH-O 2.94Å; V845-L872 HydrophobicContact CG1-CD1 3.81Å; V846-L872 HydrophobicContact CG2-CB 3.98Å; V846-L872 HydrophobicContact CG2-CD1 3.92Å; L849-L872 HydrophobicContact CD1-CD1 3.69Å; L868-L872 PolarHBondContact O-N 3.48Å; L872-I878 HydrophobicContact CD2-CD1 3.98Å; L872-I878 WeakPolarHBondContact O-CG1 3.39Å
873	M	87.4	Confident	90.4	Very high	31 Å²	31	24.2 Å²	24.2	15%	0.153	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.6	173.2	-69.5	-176.5	68.8	0	0	114.3	L869 Q870 F871 I944 A945 K947	L869-M873 HydrophobicContact CD1-CG 4.15Å; L869-M873 HydrophobicContact CD1-SD 3.9Å; L869-M873 HydrophobicContact CG-SD 4.1Å; L869-M873 WeakPolarHBondContact O-CB 3.43Å; L869-M873 VanDerWaalsContact O-CG 3.24Å; L869-M873 WeakPolarHBondContact O-CG 3.5Å; L869-M873 PolarHBondContact O-N 2.91Å; Q870-M873 PolarHBondContact O-N 3.46Å; F871-M873 PolarHBondContact O-N 2.86Å; M873-I944 HydrophobicContact CE-CG2 3.9Å; M873-I944 HydrophobicContact CG-CG2 3.93Å; M873-I944 HydrophobicContact SD-CG2 4.34Å; M873-A945 WeakPolarHBondContact CE-O 3.27Å; M873-K947 PolarHBondContact O-N 2.8Å
874	D	87.4	Confident	90.6	Very high	26 Å²	26	21.7 Å²	21.7	14%	0.139	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-86.4	126.7	175.4	178.3	69.2	0	0	0	111.4	Q870 F871 Q876 S877 I878 N948	Q870-D874 PolarHBondContact O-N 2.89Å; F871-D874 WeakPolarHBondContact O-CB 3.47Å; F871-D874 PolarHBondContact O-N 3.34Å; D874-Q876 PolarHBondContact O-N 2.71Å; D874-Q876 WeakPolarHBondContact OD2-CB 3.45Å; D874-Q876 PolarHBondContact OD2-N 2.91Å; D874-Q876 VanDerWaalsContact OD2-N 3.12Å; D874-S877 PolarHBondContact O-N 2.76Å; D874-S877 WeakPolarHBondContact OD2-CB 3.35Å; D874-S877 PolarHBondContact OD2-N 2.9Å; D874-S877 PolarHBondContact OD2-OG 3.37Å; D874-I878 PolarHBondContact O-N 2.94Å; D874-N948 PolarHBondContact OD1-ND2 2.87Å
875	Y	84.8	Confident	90.8	Very high	10 Å²	10	18.8 Å²	18.8	4%	0.039	10%	0.102	C	C	.	.	H	α-helix	trans	-64.4	-40.2	-175.9	-178.6	-96.5	0	0	0	112.8	S877 K879 F933 F937 M946 K947 L949 A952 E953	Y875-S877 VanDerWaalsContact C-N 3.34Å; Y875-K879 HydrophobicContact CE1-CD 3.71Å; Y875-K879 VanDerWaalsContact O-CB 3.25Å; Y875-K879 WeakPolarHBondContact O-CB 3.27Å; Y875-K879 PolarHBondContact O-N 2.75Å; Y875-K879 VanDerWaalsContact O-N 3.09Å; Y875-K879 PolarHBondContact OH-NZ 3.23Å; Y875-F933 HydrophobicContact CD2-CE1 4.38Å; Y875-F933 AromaticContact CD2-CZ 3.92Å; Y875-F933 HydrophobicContact CD2-CZ 3.92Å; Y875-F933 AromaticContact CE2-CE1 3.6Å; Y875-F933 HydrophobicContact CE2-CE1 3.6Å; Y875-F933 AromaticContact CE2-CZ 3.56Å; Y875-F933 HydrophobicContact CE2-CZ 3.56Å; Y875-F933 AromaticContact CZ-CE1 3.87Å; Y875-F937 HydrophobicContact CD2-CD2 4.23Å; Y875-F937 HydrophobicContact CD2-CE1 4.33Å; Y875-F937 AromaticContact CD2-CE2 3.58Å; Y875-F937 HydrophobicContact CD2-CE2 3.58Å; Y875-F937 AromaticContact CD2-CZ 3.63Å; Y875-F937 HydrophobicContact CD2-CZ 3.63Å; Y875-F937 AromaticContact CE2-CD1 3.91Å; Y875-F937 HydrophobicContact CE2-CD1 3.91Å; Y875-F937 AromaticContact CE2-CD2 3.81Å; Y875-F937 HydrophobicContact CE2-CD2 3.81Å; Y875-F937 AromaticContact CE2-CE1 3.56Å; Y875-F937 HydrophobicContact CE2-CE1 3.56Å; Y875-F937 AromaticContact CE2-CE2 3.46Å; Y875-F937 HydrophobicContact CE2-CE2 3.46Å; Y875-F937 VanDerWaalsContact CE2-CE2 3.46Å; Y875-F937 HydrophobicContact CE2-CG 4.02Å; Y875-F937 AromaticContact CE2-CZ 3.32Å; Y875-F937 HydrophobicContact CE2-CZ 3.32Å; Y875-M946 HydrophobicContact CD2-CB 4.43Å; Y875-K947 VanDerWaalsContact CB-O 3.24Å; Y875-K947 WeakPolarHBondContact CB-O 3.32Å; Y875-L949 HydrophobicContact CD2-CD1 4.38Å; Y875-L949 HydrophobicContact CG-CD1 4.44Å; Y875-A952 HydrophobicContact CD1-CB 3.83Å; Y875-E953 VanDerWaalsContact CE1-OE2 3.25Å; Y875-E953 WeakPolarHBondContact CE1-OE2 3.24Å; Y875-E953 PolarHBondContact OH-OE2 2.91Å; Y875-E953 VanDerWaalsContact OH-OE2 3.07Å
876	Q	86.6	Confident	91	Very high	33 Å²	33	19.1 Å²	19.1	15%	0.154	10%	0.104	C	C	.	.	H	α-helix	trans	-66.8	-40.4	-178.7	-161.5	-171.1	-63.7	0	0	110.7	D874 L880 A952	D874-Q876 PolarHBondContact O-N 2.71Å; D874-Q876 WeakPolarHBondContact OD2-CB 3.45Å; D874-Q876 PolarHBondContact OD2-N 2.91Å; D874-Q876 VanDerWaalsContact OD2-N 3.12Å; Q876-L880 WeakPolarHBondContact O-CB 3.24Å; Q876-L880 PolarHBondContact O-N 3.3Å; Q876-A952 HydrophobicContact CB-CB 4.06Å
877	S	88.3	Confident	91.2	Very high	20 Å²	20	15.7 Å²	15.7	14%	0.14	9%	0.086	C	C	.	.	H	α-helix	trans	-64.7	-49.4	-178.4	-59.5	0	0	0	0	112.5	D874 Y875 I881	D874-S877 PolarHBondContact O-N 2.76Å; D874-S877 WeakPolarHBondContact OD2-CB 3.35Å; D874-S877 PolarHBondContact OD2-N 2.9Å; D874-S877 PolarHBondContact OD2-OG 3.37Å; Y875-S877 VanDerWaalsContact C-N 3.34Å; S877-I881 PolarHBondContact O-N 2.84Å
878	I	89.3	Confident	91.3	Very high	7 Å²	7	13.6 Å²	13.6	4%	0.036	7%	0.068	C	C	.	.	H	α-helix	trans	-69.4	-44.6	178.1	-58.5	-56.7	0	0	0	111.5	Y842 L872 D874 L880 I881 Y882 F933 F941 M946	Y842-I878 HydrophobicContact CE2-CD1 4.02Å; Y842-I878 HydrophobicContact CE2-CG1 4.41Å; L872-I878 HydrophobicContact CD2-CD1 3.98Å; L872-I878 WeakPolarHBondContact O-CG1 3.39Å; D874-I878 PolarHBondContact O-N 2.94Å; I878-L880 PolarHBondContact O-N 2.73Å; I878-I881 HydrophobicContact CD1-CD1 4.27Å; I878-I881 WeakPolarHBondContact O-CB 3.5Å; I878-I881 PolarHBondContact O-N 3.38Å; I878-Y882 HydrophobicContact CG2-CD2 3.96Å; I878-Y882 HydrophobicContact CG2-CE2 3.86Å; I878-Y882 WeakPolarHBondContact O-CD2 3.42Å; I878-Y882 PolarHBondContact O-N 2.86Å; I878-F933 HydrophobicContact CB-CE2 4.24Å; I878-F933 HydrophobicContact CG2-CD2 3.99Å; I878-F933 HydrophobicContact CG2-CE2 3.62Å; I878-F941 HydrophobicContact CG2-CD1 4.42Å; I878-F941 HydrophobicContact CG2-CE1 4.1Å; I878-F941 HydrophobicContact CG2-CZ 4.47Å; I878-M946 HydrophobicContact CB-CE 4.23Å; I878-M946 HydrophobicContact CG1-CE 3.79Å
879	K	90.3	Very high	91.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.4	-33.5	178.4	-164.1	175.3	-169.7	173.7	0	112.3	Y875 F883 L930 F933 E934 E953 F956	Y875-K879 HydrophobicContact CE1-CD 3.71Å; Y875-K879 VanDerWaalsContact O-CB 3.25Å; Y875-K879 WeakPolarHBondContact O-CB 3.27Å; Y875-K879 PolarHBondContact O-N 2.75Å; Y875-K879 VanDerWaalsContact O-N 3.09Å; Y875-K879 PolarHBondContact OH-NZ 3.23Å; K879-F883 WeakPolarHBondContact O-CB 3.4Å; K879-F883 PolarHBondContact O-N 2.76Å; K879-F883 VanDerWaalsContact O-N 3.08Å; K879-L930 HydrophobicContact CD-CD1 4.27Å; K879-L930 HydrophobicContact CG-CD1 3.52Å; K879-F933 HydrophobicContact CB-CD1 4.24Å; K879-F933 HydrophobicContact CB-CE1 3.71Å; K879-F933 HydrophobicContact CB-CZ 4Å; K879-F933 HydrophobicContact CD-CD1 4.33Å; K879-F933 HydrophobicContact CD-CE1 3.88Å; K879-F933 HydrophobicContact CG-CD1 3.82Å; K879-F933 HydrophobicContact CG-CE1 3.61Å; K879-F933 HydrophobicContact CG-CZ 4.4Å; K879-E934 WeakPolarHBondContact CE-OE1 3.3Å; K879-E934 IonicContact NZ-OE1 2.81Å; K879-E934 PolarHBondContact NZ-OE1 3.06Å; K879-E953 IonicContact NZ-OE1 3.95Å; K879-E953 PolarHBondContact NZ-OE1 2.59Å; K879-E953 IonicContact NZ-OE2 2.77Å; K879-E953 PolarHBondContact NZ-OE2 3.28Å; K879-F956 HydrophobicContact CB-CD2 4.24Å; K879-F956 HydrophobicContact CB-CE2 4.18Å; K879-F956 HydrophobicContact CD-CD1 3.65Å; K879-F956 HydrophobicContact CD-CD2 4.12Å; K879-F956 HydrophobicContact CD-CE1 3.69Å; K879-F956 HydrophobicContact CD-CE2 4.16Å; K879-F956 HydrophobicContact CD-CG 3.88Å; K879-F956 HydrophobicContact CD-CZ 3.96Å; K879-F956 VanDerWaalsContact CE-CE1 3.45Å; K879-F956 HydrophobicContact CG-CD1 4.29Å; K879-F956 HydrophobicContact CG-CD2 4.04Å; K879-F956 HydrophobicContact CG-CE1 4Å; K879-F956 HydrophobicContact CG-CE2 3.73Å; K879-F956 HydrophobicContact CG-CG 4.32Å; K879-F956 HydrophobicContact CG-CZ 3.71Å
880	L	92	Very high	91.4	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-70.1	-33.2	174.9	-174.8	57	0	0	0	113.2	L781 L784 Q876 I878 F883 L884 I959 I963	L781-L880 HydrophobicContact CD2-CD1 4.43Å; L781-L880 HydrophobicContact CD2-CD2 4.04Å; L781-L880 HydrophobicContact CD2-CG 4.43Å; L784-L880 HydrophobicContact CD2-CB 4.47Å; L784-L880 HydrophobicContact CD2-CD2 3.98Å; L784-L880 HydrophobicContact CD2-CG 3.94Å; Q876-L880 WeakPolarHBondContact O-CB 3.24Å; Q876-L880 PolarHBondContact O-N 3.3Å; I878-L880 PolarHBondContact O-N 2.73Å; L880-F883 HydrophobicContact CD1-CD1 4.27Å; L880-L884 HydrophobicContact CD1-CD1 4.33Å; L880-L884 HydrophobicContact CD1-CG 4.18Å; L880-L884 HydrophobicContact CG-CD1 4.11Å; L880-L884 HydrophobicContact CG-CG 4.44Å; L880-L884 WeakPolarHBondContact O-CB 3.49Å; L880-L884 WeakPolarHBondContact O-CG 3.44Å; L880-L884 PolarHBondContact O-N 3.41Å; L880-I959 HydrophobicContact CD1-CG2 4.08Å; L880-I963 HydrophobicContact CD1-CD1 3.9Å
881	I	93	Very high	91.5	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.021	5%	0.05	C	C	.	.	H	α-helix	trans	-63	-50.5	173.3	-68.5	168.6	0	0	0	110.6	L784 L788 L835 L838 I839 S877 I878 F883 L884 L885	L784-I881 HydrophobicContact CD1-CD1 4.01Å; L784-I881 HydrophobicContact CD1-CG1 3.81Å; L784-I881 HydrophobicContact CD2-CG1 4.21Å; L788-I881 HydrophobicContact CD2-CD1 4.45Å; L835-I881 HydrophobicContact CB-CG2 4.17Å; L835-I881 HydrophobicContact CD1-CG2 4.38Å; L835-I881 HydrophobicContact CD2-CG2 4.1Å; L835-I881 HydrophobicContact CG-CG2 4.45Å; L838-I881 HydrophobicContact CD2-CD1 4.38Å; I839-I881 HydrophobicContact CD1-CG2 4.22Å; S877-I881 PolarHBondContact O-N 2.84Å; I878-I881 HydrophobicContact CD1-CD1 4.27Å; I878-I881 WeakPolarHBondContact O-CB 3.5Å; I878-I881 PolarHBondContact O-N 3.38Å; I881-F883 PolarHBondContact O-N 3.07Å; I881-L884 PolarHBondContact O-N 3.1Å; I881-L885 HydrophobicContact CG2-CD1 4.32Å; I881-L885 PolarHBondContact O-N 3.05Å
882	Y	94.1	Very high	91.4	Very high	6 Å²	6	10.4 Å²	10.4	2%	0.024	6%	0.059	C	C	.	.	H	α-helix	trans	-60.9	-42.5	178.5	-81.6	-88.4	0	0	0	112.2	I839 I878 L885 D886 Y929 F933 F941	I839-Y882 HydrophobicContact CD1-CD1 3.97Å; I839-Y882 HydrophobicContact CD1-CD2 4.26Å; I839-Y882 HydrophobicContact CD1-CE1 3.73Å; I839-Y882 HydrophobicContact CD1-CE2 4Å; I839-Y882 HydrophobicContact CD1-CG 4.26Å; I839-Y882 HydrophobicContact CG1-CE1 4.26Å; I839-Y882 HydrophobicContact CG1-CE2 3.94Å; I839-Y882 HydrophobicContact CG2-CE1 4.2Å; I839-Y882 VanDerWaalsContact CG2-OH 3.27Å; I839-Y882 WeakPolarHBondContact CG2-OH 3.31Å; I878-Y882 HydrophobicContact CG2-CD2 3.96Å; I878-Y882 HydrophobicContact CG2-CE2 3.86Å; I878-Y882 WeakPolarHBondContact O-CD2 3.42Å; I878-Y882 PolarHBondContact O-N 2.86Å; Y882-L885 WeakPolarHBondContact O-CB 3.41Å; Y882-L885 PolarHBondContact O-N 3.46Å; Y882-D886 PolarHBondContact O-N 3.03Å; Y882-Y929 HydrophobicContact CD1-CD1 4.46Å; Y882-Y929 WeakPolarHBondContact CD1-O 3.44Å; Y882-Y929 VanDerWaalsContact O-CB 3.3Å; Y882-Y929 WeakPolarHBondContact O-CB 3.48Å; Y882-F933 HydrophobicContact CD1-CB 4.02Å; Y882-F933 HydrophobicContact CD2-CB 3.88Å; Y882-F933 AromaticContact CD2-CD2 3.71Å; Y882-F933 HydrophobicContact CD2-CD2 3.71Å; Y882-F933 HydrophobicContact CD2-CG 4.07Å; Y882-F933 HydrophobicContact CE1-CB 4.33Å; Y882-F933 HydrophobicContact CE2-CB 4.21Å; Y882-F933 AromaticContact CE2-CD2 3.75Å; Y882-F933 HydrophobicContact CE2-CD2 3.75Å; Y882-F933 HydrophobicContact CE2-CG 4.4Å; Y882-F933 HydrophobicContact CG-CB 3.77Å; Y882-F933 HydrophobicContact CG-CD2 4.45Å; Y882-F933 HydrophobicContact CG-CG 4.39Å; Y882-F941 HydrophobicContact CE2-CE2 4.45Å; Y882-F941 AromaticContact CE2-CZ 3.89Å; Y882-F941 HydrophobicContact CE2-CZ 3.89Å; Y882-F941 WeakPolarHBondContact OH-CZ 3.45Å
883	F	95.1	Very high	91.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.8	-35.2	176.1	173.9	-109.6	0	0	0	113.7	K879 L880 I881 L885 D886 V887 L922 L930 F956 R960 I963	K879-F883 WeakPolarHBondContact O-CB 3.4Å; K879-F883 PolarHBondContact O-N 2.76Å; K879-F883 VanDerWaalsContact O-N 3.08Å; L880-F883 HydrophobicContact CD1-CD1 4.27Å; I881-F883 PolarHBondContact O-N 3.07Å; F883-L885 VanDerWaalsContact C-N 3.29Å; F883-L885 PolarHBondContact O-N 3Å; F883-D886 PolarHBondContact O-N 3.41Å; F883-V887 HydrophobicContact CE1-CG2 4.14Å; F883-V887 HydrophobicContact CE2-CG2 3.97Å; F883-V887 HydrophobicContact CZ-CG2 3.71Å; F883-V887 PolarHBondContact O-N 2.77Å; F883-L922 HydrophobicContact CE2-CB 4.31Å; F883-L930 HydrophobicContact CB-CD1 4.41Å; F883-L930 HydrophobicContact CB-CD2 4.3Å; F883-L930 HydrophobicContact CD2-CD2 4.09Å; F883-F956 HydrophobicContact CB-CE2 4Å; F883-F956 HydrophobicContact CB-CZ 3.86Å; F883-F956 HydrophobicContact CG-CE2 4.38Å; F883-F956 HydrophobicContact CG-CZ 4.11Å; F883-R960 HydrophobicContact CD1-CG 4.4Å; F883-R960 HydrophobicContact CD2-CG 4.04Å; F883-R960 HydrophobicContact CE1-CB 4.21Å; F883-R960 HydrophobicContact CE1-CG 3.97Å; F883-R960 HydrophobicContact CE2-CG 3.57Å; F883-R960 HydrophobicContact CG-CG 4.43Å; F883-R960 HydrophobicContact CZ-CB 4.22Å; F883-R960 HydrophobicContact CZ-CG 3.54Å; F883-I963 HydrophobicContact CD1-CD1 4.35Å; F883-I963 HydrophobicContact CE1-CB 3.89Å; F883-I963 HydrophobicContact CE1-CD1 3.92Å; F883-I963 HydrophobicContact CE1-CG1 4.49Å; F883-I963 HydrophobicContact CE1-CG2 3.81Å; F883-I963 HydrophobicContact CZ-CB 4.42Å; F883-I963 HydrophobicContact CZ-CG2 4.25Å
884	L	93.6	Very high	91.7	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.026	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-33.9	173	-75.1	169.5	0	0	0	111.7	L770 L781 L784 I829 L880 I881 V887 I888 I963	L770-L884 HydrophobicContact CD2-CD2 4.46Å; L781-L884 HydrophobicContact CD2-CD1 3.86Å; L781-L884 HydrophobicContact CD2-CD2 4.28Å; L784-L884 HydrophobicContact CD2-CD1 3.71Å; I829-L884 HydrophobicContact CB-CD1 4.37Å; L880-L884 HydrophobicContact CD1-CD1 4.33Å; L880-L884 HydrophobicContact CD1-CG 4.18Å; L880-L884 HydrophobicContact CG-CD1 4.11Å; L880-L884 HydrophobicContact CG-CG 4.44Å; L880-L884 WeakPolarHBondContact O-CB 3.49Å; L880-L884 WeakPolarHBondContact O-CG 3.44Å; L880-L884 PolarHBondContact O-N 3.41Å; I881-L884 PolarHBondContact O-N 3.1Å; L884-V887 PolarHBondContact O-N 3.31Å; L884-I888 WeakPolarHBondContact O-CB 3.29Å; L884-I888 WeakPolarHBondContact O-CD1 3.46Å; L884-I888 WeakPolarHBondContact O-CG1 3.17Å; L884-I888 PolarHBondContact O-N 3.12Å; L884-I963 HydrophobicContact CD2-CD1 4.42Å
885	L	94.1	Very high	91.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.3	-40.7	173.3	-77.7	165.7	0	0	0	112.7	Q832 L835 N836 I839 I881 Y882 F883 V887 I888 A889 Y929	Q832-L885 HydrophobicContact CB-CD2 4.43Å; Q832-L885 HydrophobicContact CG-CD2 3.81Å; L835-L885 HydrophobicContact CB-CD1 4.05Å; L835-L885 HydrophobicContact CB-CD2 4.02Å; L835-L885 HydrophobicContact CB-CG 4.21Å; L835-L885 HydrophobicContact CD1-CD2 4.13Å; L835-L885 HydrophobicContact CD1-CG 4.14Å; N836-L885 WeakPolarHBondContact OD1-CD1 3.49Å; N836-L885 WeakPolarHBondContact OD1-CD2 3.44Å; I839-L885 HydrophobicContact CD1-CD1 3.34Å; I881-L885 HydrophobicContact CG2-CD1 4.32Å; I881-L885 PolarHBondContact O-N 3.05Å; Y882-L885 WeakPolarHBondContact O-CB 3.41Å; Y882-L885 PolarHBondContact O-N 3.46Å; F883-L885 VanDerWaalsContact C-N 3.29Å; F883-L885 PolarHBondContact O-N 3Å; L885-V887 PolarHBondContact O-N 3.27Å; L885-I888 PolarHBondContact O-N 3.47Å; L885-A889 WeakPolarHBondContact O-CB 3.45Å; L885-A889 PolarHBondContact O-N 3.35Å; L885-Y929 HydrophobicContact CB-CD1 3.84Å; L885-Y929 HydrophobicContact CB-CD2 3.84Å; L885-Y929 HydrophobicContact CB-CE1 4.14Å; L885-Y929 HydrophobicContact CB-CE2 4.16Å; L885-Y929 HydrophobicContact CB-CG 3.67Å; L885-Y929 HydrophobicContact CD1-CD1 3.83Å; L885-Y929 HydrophobicContact CD1-CE1 3.98Å; L885-Y929 HydrophobicContact CD1-CG 4.46Å; L885-Y929 HydrophobicContact CG-CD1 4.41Å; L885-Y929 HydrophobicContact CG-CE1 4.47Å
886	D	95.4	Very high	92	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.043	9%	0.089	C	C	.	.	H	α-helix	trans	-57.9	-48.7	171.9	-75.4	-38.3	0	0	0	111.6	Y882 F883 I888 A889 V890 L922 G927 E928 Y929 L930	Y882-D886 PolarHBondContact O-N 3.03Å; F883-D886 PolarHBondContact O-N 3.41Å; D886-I888 PolarHBondContact O-N 2.9Å; D886-A889 PolarHBondContact O-N 3.28Å; D886-V890 WeakPolarHBondContact O-CG2 3.35Å; D886-V890 PolarHBondContact O-N 3.45Å; D886-L922 HydrophobicContact CB-CD1 4.03Å; D886-L922 HydrophobicContact CB-CD2 4.11Å; D886-G927 VanDerWaalsContact OD1-CA 3.32Å; D886-G927 WeakPolarHBondContact OD1-CA 3.33Å; D886-G927 VanDerWaalsContact OD2-CA 3.29Å; D886-G927 WeakPolarHBondContact OD2-CA 3.39Å; D886-G927 PolarHBondContact OD2-N 3.35Å; D886-E928 PolarHBondContact OD1-N 2.86Å; D886-Y929 WeakPolarHBondContact OD1-CB 3.38Å; D886-Y929 PolarHBondContact OD1-N 3.14Å; D886-L930 WeakPolarHBondContact OD2-CB 3.48Å; D886-L930 PolarHBondContact OD2-N 3.17Å
887	V	94.7	Very high	92.1	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.036	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-42.7	178.6	172	0	0	0	0	111.5	F883 L884 L885 V890 L891 I919 L922 I963	F883-V887 HydrophobicContact CE1-CG2 4.14Å; F883-V887 HydrophobicContact CE2-CG2 3.97Å; F883-V887 HydrophobicContact CZ-CG2 3.71Å; F883-V887 PolarHBondContact O-N 2.77Å; L884-V887 PolarHBondContact O-N 3.31Å; L885-V887 PolarHBondContact O-N 3.27Å; V887-V890 PolarHBondContact O-N 3.47Å; V887-L891 HydrophobicContact CG1-CD1 3.72Å; V887-L891 WeakPolarHBondContact O-CD1 3.29Å; V887-L891 VanDerWaalsContact O-CG 3.22Å; V887-L891 WeakPolarHBondContact O-CG 3.41Å; V887-L891 PolarHBondContact O-N 3.16Å; V887-I919 HydrophobicContact CG1-CD1 4.13Å; V887-I919 HydrophobicContact CG2-CD1 4.49Å; V887-L922 HydrophobicContact CG2-CD1 4.11Å; V887-I963 HydrophobicContact CG2-CG2 4.32Å
888	I	93.1	Very high	92.1	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-40.8	175.9	-72.3	164.6	0	0	0	110.8	H766 I829 Q832 L884 L885 D886 V890 L891 S892	H766-I888 HydrophobicContact CB-CG1 4.11Å; I829-I888 VanDerWaalsContact O-CD1 3.28Å; I829-I888 WeakPolarHBondContact O-CD1 3.13Å; Q832-I888 HydrophobicContact CB-CG2 4.29Å; L884-I888 WeakPolarHBondContact O-CB 3.29Å; L884-I888 WeakPolarHBondContact O-CD1 3.46Å; L884-I888 WeakPolarHBondContact O-CG1 3.17Å; L884-I888 PolarHBondContact O-N 3.12Å; L885-I888 PolarHBondContact O-N 3.47Å; D886-I888 PolarHBondContact O-N 2.9Å; I888-V890 PolarHBondContact O-N 3.32Å; I888-L891 PolarHBondContact O-N 3.08Å; I888-S892 VanDerWaalsContact O-CB 3.3Å; I888-S892 WeakPolarHBondContact O-CB 3.08Å; I888-S892 PolarHBondContact O-N 2.93Å; I888-S892 PolarHBondContact O-OG 3.19Å; I888-S892 VanDerWaalsContact O-OG 3.05Å
889	A	92.9	Very high	92	Very high	15 Å²	15	20.4 Å²	20.4	12%	0.124	10%	0.095	C	C	.	.	H	α-helix	trans	-61.1	-44	179.6	0	0	0	0	0	112.4	L885 D886 R893 Y929	L885-A889 WeakPolarHBondContact O-CB 3.45Å; L885-A889 PolarHBondContact O-N 3.35Å; D886-A889 PolarHBondContact O-N 3.28Å; A889-R893 WeakPolarHBondContact O-CG 3.27Å; A889-R893 PolarHBondContact O-N 3.11Å; A889-Y929 HydrophobicContact CB-CE2 4.38Å
890	V	94.4	Very high	91.6	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-47.7	174.3	-179	0	0	0	0	111	D886 V887 I888 R893 L894 A915 E918 I919 L922	D886-V890 WeakPolarHBondContact O-CG2 3.35Å; D886-V890 PolarHBondContact O-N 3.45Å; V887-V890 PolarHBondContact O-N 3.47Å; I888-V890 PolarHBondContact O-N 3.32Å; V890-R893 PolarHBondContact O-N 3.39Å; V890-L894 PolarHBondContact O-N 3.47Å; V890-A915 HydrophobicContact CG1-CB 4.27Å; V890-E918 HydrophobicContact CG1-CB 4.07Å; V890-E918 HydrophobicContact CG1-CG 4.1Å; V890-E918 HydrophobicContact CG2-CG 3.7Å; V890-I919 HydrophobicContact CB-CD1 3.82Å; V890-I919 HydrophobicContact CG1-CD1 3.84Å; V890-I919 HydrophobicContact CG1-CG1 4Å; V890-I919 HydrophobicContact CG2-CD1 4.11Å; V890-L922 HydrophobicContact CG2-CD1 3.9Å
891	L	92.3	Very high	90.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-70.2	-33.8	-176.2	-67.4	168.2	0	0	0	112.9	P765 H766 I769 V887 I888 A895 T967 L971	P765-L891 HydrophobicContact CG-CB 4.22Å; P765-L891 WeakPolarHBondContact CG-O 3.45Å; H766-L891 HydrophobicContact CB-CB 4.48Å; H766-L891 HydrophobicContact CB-CD1 3.85Å; I769-L891 HydrophobicContact CD1-CD1 3.53Å; I769-L891 HydrophobicContact CD1-CD2 3.63Å; I769-L891 HydrophobicContact CD1-CG 4.25Å; V887-L891 HydrophobicContact CG1-CD1 3.72Å; V887-L891 WeakPolarHBondContact O-CD1 3.29Å; V887-L891 VanDerWaalsContact O-CG 3.22Å; V887-L891 WeakPolarHBondContact O-CG 3.41Å; V887-L891 PolarHBondContact O-N 3.16Å; I888-L891 PolarHBondContact O-N 3.08Å; L891-A895 PolarHBondContact O-N 3.27Å; L891-T967 HydrophobicContact CD1-CG2 4.41Å; L891-T967 HydrophobicContact CD2-CG2 4.27Å; L891-L971 HydrophobicContact CD2-CD1 4.09Å; L891-L971 HydrophobicContact CD2-CD2 3.91Å; L891-L971 HydrophobicContact CD2-CG 4.36Å
892	S	90.8	Very high	89.8	Confident	34 Å²	34	34 Å²	34	24%	0.238	16%	0.162	C	C	.	.	H	α-helix	trans	-72.2	-39.4	174.2	-66.4	0	0	0	0	111.6	I888 L894 A895 Y896	I888-S892 VanDerWaalsContact O-CB 3.3Å; I888-S892 WeakPolarHBondContact O-CB 3.08Å; I888-S892 PolarHBondContact O-N 2.93Å; I888-S892 PolarHBondContact O-OG 3.19Å; I888-S892 VanDerWaalsContact O-OG 3.05Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.3Å; S892-A895 PolarHBondContact O-N 3.42Å; S892-Y896 WeakPolarHBondContact O-CB 3.36Å; S892-Y896 PolarHBondContact O-N 3.01Å
893	R	91.6	Very high	89.2	Confident	115 Å²	115	34 Å²	34	43%	0.434	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-43.4	170.1	-75.7	-169.8	-62.5	-97.9	8.4	111.6	A889 V890 Y896 I897 E918	A889-R893 WeakPolarHBondContact O-CG 3.27Å; A889-R893 PolarHBondContact O-N 3.11Å; V890-R893 PolarHBondContact O-N 3.39Å; R893-Y896 PolarHBondContact O-N 3.33Å; R893-I897 WeakPolarHBondContact O-CG1 3.35Å; R893-I897 PolarHBondContact O-N 3.18Å; R893-I897 VanDerWaalsContact O-N 3.11Å; R893-E918 IonicContact CZ-OE2 3.87Å; R893-E918 IonicContact NE-OE2 2.79Å; R893-E918 IonicContact NH2-OE1 2.7Å; R893-E918 IonicContact NH2-OE2 2.61Å; R893-E918 PolarHBondContact NH2-OE2 2.68Å
894	L	91.7	Very high	88.7	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-48.1	175.9	-175.8	61.9	0	0	0	111.3	M761 V890 S892 Y896 I897 F898 K911 A915 L971	M761-L894 HydrophobicContact CE-CD2 3.78Å; M761-L894 HydrophobicContact SD-CD2 3.64Å; M761-L894 HydrophobicContact SD-CG 3.8Å; V890-L894 PolarHBondContact O-N 3.47Å; S892-L894 VanDerWaalsContact C-N 3.33Å; S892-L894 PolarHBondContact O-N 3.3Å; L894-Y896 VanDerWaalsContact C-N 3.29Å; L894-Y896 PolarHBondContact O-N 3.26Å; L894-I897 PolarHBondContact O-N 3.13Å; L894-F898 HydrophobicContact CD1-CD2 4.24Å; L894-F898 HydrophobicContact CD1-CE2 3.89Å; L894-F898 HydrophobicContact CG-CD2 4.39Å; L894-F898 HydrophobicContact CG-CE2 4.29Å; L894-F898 WeakPolarHBondContact O-CD2 3.21Å; L894-F898 PolarHBondContact O-N 3.19Å; L894-K911 HydrophobicContact CD1-CB 4.39Å; L894-K911 VanDerWaalsContact CD1-O 3.27Å; L894-K911 WeakPolarHBondContact CD1-O 3.38Å; L894-A915 HydrophobicContact CB-CB 4.44Å; L894-A915 HydrophobicContact CD1-CB 4.21Å; L894-A915 HydrophobicContact CD2-CB 3.83Å; L894-A915 HydrophobicContact CG-CB 4.39Å; L894-L971 HydrophobicContact CD2-CD2 4.03Å
895	A	89.3	Confident	88.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-40.9	175.7	0	0	0	0	0	112.5	M761 P765 L891 S892 I897 F898 Q899	M761-A895 HydrophobicContact CB-CB 4.45Å; P765-A895 HydrophobicContact CG-CB 4.09Å; L891-A895 PolarHBondContact O-N 3.27Å; S892-A895 PolarHBondContact O-N 3.42Å; A895-I897 VanDerWaalsContact C-N 3.33Å; A895-I897 PolarHBondContact O-N 3.15Å; A895-F898 CarbonylContact O-C 3.57Å; A895-F898 PolarHBondContact O-N 2.95Å; A895-F898 VanDerWaalsContact O-N 3.16Å; A895-Q899 WeakPolarHBondContact O-CG 3.39Å; A895-Q899 PolarHBondContact O-N 3.24Å
896	Y	89.4	Confident	88	Confident	125 Å²	125	35.2 Å²	35.2	49%	0.49	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-33.5	177.9	-173.5	-100.8	0	0	0	113.4	S892 R893 L894 Q899 G900	S892-Y896 WeakPolarHBondContact O-CB 3.36Å; S892-Y896 PolarHBondContact O-N 3.01Å; R893-Y896 PolarHBondContact O-N 3.33Å; L894-Y896 VanDerWaalsContact C-N 3.29Å; L894-Y896 PolarHBondContact O-N 3.26Å; Y896-Q899 WeakPolarHBondContact O-CB 3.18Å; Y896-Q899 PolarHBondContact O-N 2.98Å; Y896-G900 PolarHBondContact O-N 3.18Å
897	I	89.5	Confident	87.6	Confident	62 Å²	62	38 Å²	38	32%	0.318	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-42.7	172.5	-67.3	165.2	0	0	0	110.8	R893 L894 A895 Q899 G900 L903 K911	R893-I897 WeakPolarHBondContact O-CG1 3.35Å; R893-I897 PolarHBondContact O-N 3.18Å; R893-I897 VanDerWaalsContact O-N 3.11Å; L894-I897 PolarHBondContact O-N 3.13Å; A895-I897 VanDerWaalsContact C-N 3.33Å; A895-I897 PolarHBondContact O-N 3.15Å; I897-Q899 VanDerWaalsContact C-N 3.3Å; I897-Q899 PolarHBondContact O-N 2.93Å; I897-G900 PolarHBondContact O-N 3.37Å; I897-G900 VanDerWaalsContact O-N 3.16Å; I897-L903 HydrophobicContact CG2-CD1 4.1Å; I897-L903 HydrophobicContact CG2-CD2 4.5Å; I897-K911 HydrophobicContact CG2-CB 4.48Å; I897-K911 HydrophobicContact CG2-CG 4.16Å
898	F	87.9	Confident	87.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.6	-22.6	174.9	-80.9	-88.6	0	0	0	113.1	P759 M761 L894 A895 G900 L903 V908 I912 T1083 T1085	P759-F898 VanDerWaalsContact O-CE1 3.32Å; P759-F898 WeakPolarHBondContact O-CE1 3.19Å; M761-F898 HydrophobicContact CB-CB 4.21Å; M761-F898 HydrophobicContact CB-CD2 4.3Å; M761-F898 HydrophobicContact CB-CG 4.28Å; M761-F898 WeakPolarHBondContact O-CB 3.28Å; L894-F898 HydrophobicContact CD1-CD2 4.24Å; L894-F898 HydrophobicContact CD1-CE2 3.89Å; L894-F898 HydrophobicContact CG-CD2 4.39Å; L894-F898 HydrophobicContact CG-CE2 4.29Å; L894-F898 WeakPolarHBondContact O-CD2 3.21Å; L894-F898 PolarHBondContact O-N 3.19Å; A895-F898 CarbonylContact O-C 3.57Å; A895-F898 PolarHBondContact O-N 2.95Å; A895-F898 VanDerWaalsContact O-N 3.16Å; F898-G900 PolarHBondContact O-N 2.82Å; F898-L903 HydrophobicContact CD1-CD2 3.63Å; F898-L903 HydrophobicContact CD2-CD2 4.42Å; F898-L903 HydrophobicContact CE1-CD2 3.66Å; F898-L903 HydrophobicContact CE2-CD2 4.44Å; F898-L903 HydrophobicContact CG-CD2 4.03Å; F898-L903 HydrophobicContact CZ-CD2 4.08Å; F898-V908 HydrophobicContact CE1-CG1 4.23Å; F898-V908 HydrophobicContact CZ-CG1 4.09Å; F898-I912 HydrophobicContact CE2-CD1 4.49Å; F898-I912 HydrophobicContact CE2-CG1 4.25Å; F898-I912 HydrophobicContact CZ-CD1 4.05Å; F898-I912 HydrophobicContact CZ-CG1 4.25Å; F898-T1083 WeakPolarHBondContact CD1-O 3.43Å; F898-T1085 HydrophobicContact CB-CG2 4.13Å; F898-T1085 PolarHBondContact O-N 3.16Å; F898-T1085 PolarHBondContact O-OG1 3.49Å
899	Q	86.4	Confident	87.3	Confident	30 Å²	30	37.6 Å²	37.6	14%	0.14	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-3.3	169.5	-68.9	162.2	1.1	0	0	113.6	V762 A895 Y896 I897 T1085 V1086	V762-Q899 PolarHBondContact O-NE2 3.1Å; A895-Q899 WeakPolarHBondContact O-CG 3.39Å; A895-Q899 PolarHBondContact O-N 3.24Å; Y896-Q899 WeakPolarHBondContact O-CB 3.18Å; Y896-Q899 PolarHBondContact O-N 2.98Å; I897-Q899 VanDerWaalsContact C-N 3.3Å; I897-Q899 PolarHBondContact O-N 2.93Å; Q899-T1085 WeakPolarHBondContact CA-OG1 3.29Å; Q899-V1086 WeakPolarHBondContact O-CG2 3.49Å
900	G	82.3	Confident	87.1	Confident	27 Å²	27	39.8 Å²	39.8	28%	0.278	19%	0.19	S	C	.	.	S	Bend	trans	-65.4	147.2	174.1	0	0	0	0	0	112.5	Y896 I897 F898 Y902 S1084	Y896-G900 PolarHBondContact O-N 3.18Å; I897-G900 PolarHBondContact O-N 3.37Å; I897-G900 VanDerWaalsContact O-N 3.16Å; F898-G900 PolarHBondContact O-N 2.82Å; G900-Y902 PolarHBondContact O-N 2.9Å; G900-Y902 VanDerWaalsContact O-N 3.09Å; G900-S1084 WeakPolarHBondContact O-CB 3.37Å; G900-S1084 PolarHBondContact O-OG 2.64Å
901	E	71.6	Confident	87	Confident	164 Å²	164	42.4 Å²	42.4	77%	0.766	20%	0.2	S	C	*	.	S	Bend	trans	-59.8	-21.5	177.1	-61.8	-161.3	139.4	0	0	113.6	V1086	E901-V1086 HydrophobicContact CG-CG2 4.25Å
902	Y	75	Confident	87	Confident	101 Å²	101	42.5 Å²	42.5	40%	0.396	20%	0.201	S	C	.	.			trans	-151.5	105	-178.8	-167.8	-111.6	0	0	0	111.6	G900 L904 F1054 K1055	G900-Y902 PolarHBondContact O-N 2.9Å; G900-Y902 VanDerWaalsContact O-N 3.09Å; Y902-L904 HydrophobicContact CD1-CD2 4.34Å; Y902-L904 HydrophobicContact CE1-CD2 3.38Å; Y902-L904 HydrophobicContact CE1-CG 4.13Å; Y902-L904 WeakPolarHBondContact OH-CD2 3.32Å; Y902-F1054 WeakPolarHBondContact OH-CE1 3.4Å; Y902-K1055 HydrophobicContact CE1-CG 4.27Å
903	L	83.1	Confident	87.1	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.042	20%	0.203	C	C	.	.			trans	-107.6	126	167.9	178	60.2	0	0	0	108.8	I897 F898 Q907 V908 T1083	I897-L903 HydrophobicContact CG2-CD1 4.1Å; I897-L903 HydrophobicContact CG2-CD2 4.5Å; F898-L903 HydrophobicContact CD1-CD2 3.63Å; F898-L903 HydrophobicContact CD2-CD2 4.42Å; F898-L903 HydrophobicContact CE1-CD2 3.66Å; F898-L903 HydrophobicContact CE2-CD2 4.44Å; F898-L903 HydrophobicContact CG-CD2 4.03Å; F898-L903 HydrophobicContact CZ-CD2 4.08Å; L903-Q907 HydrophobicContact CD1-CB 3.99Å; L903-V908 HydrophobicContact CD2-CG2 4.03Å; L903-V908 HydrophobicContact CG-CG2 4.2Å; L903-T1083 WeakPolarHBondContact O-CB 3.17Å; L903-T1083 PolarHBondContact O-OG1 3.42Å
904	L	82.9	Confident	87.3	Confident	17 Å²	17	42.6 Å²	42.6	9%	0.089	20%	0.203	C	C	.	.			trans	-69.7	140.1	177.5	-69.6	179.7	0	0	0	111	Y902 S906 Q907 V908 F1054	Y902-L904 HydrophobicContact CD1-CD2 4.34Å; Y902-L904 HydrophobicContact CE1-CD2 3.38Å; Y902-L904 HydrophobicContact CE1-CG 4.13Å; Y902-L904 WeakPolarHBondContact OH-CD2 3.32Å; L904-S906 PolarHBondContact O-N 2.94Å; L904-Q907 HydrophobicContact CB-CB 4.26Å; L904-Q907 HydrophobicContact CB-CG 3.95Å; L904-Q907 HydrophobicContact CD1-CG 4.48Å; L904-Q907 PolarHBondContact O-N 3.04Å; L904-V908 PolarHBondContact O-N 3.46Å; L904-F1054 HydrophobicContact CD1-CB 3.97Å; L904-F1054 HydrophobicContact CD1-CD1 4.34Å; L904-F1054 HydrophobicContact CD1-CD2 4.09Å; L904-F1054 HydrophobicContact CD1-CG 3.91Å; L904-F1054 HydrophobicContact CD2-CB 4.44Å; L904-F1054 HydrophobicContact CD2-CD1 3.32Å; L904-F1054 HydrophobicContact CD2-CD2 4.12Å; L904-F1054 HydrophobicContact CD2-CE1 3.35Å; L904-F1054 HydrophobicContact CD2-CE2 4.13Å; L904-F1054 HydrophobicContact CD2-CG 3.73Å; L904-F1054 HydrophobicContact CD2-CZ 3.78Å; L904-F1054 HydrophobicContact CG-CD1 4.49Å
905	V	88.4	Confident	87.4	Confident	11 Å²	11	42.8 Å²	42.8	7%	0.067	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-45.1	175.2	177.7	0	0	0	0	111	Q907 V908 V983 C986 L1078 L1081 T1083	V905-Q907 VanDerWaalsContact C-N 3.3Å; V905-Q907 PolarHBondContact O-N 3.13Å; V905-V908 WeakPolarHBondContact O-CB 3.43Å; V905-V908 PolarHBondContact O-N 3.03Å; V905-V983 HydrophobicContact CG1-CG2 3.8Å; V905-V983 WeakPolarHBondContact O-CG1 3.29Å; V905-C986 HydrophobicContact CG1-CB 4.25Å; V905-L1078 HydrophobicContact CG1-CD2 4.29Å; V905-L1078 WeakPolarHBondContact CG2-O 3.11Å; V905-L1081 HydrophobicContact CG1-CD1 4.02Å; V905-L1081 HydrophobicContact CG2-CB 4.13Å; V905-L1081 HydrophobicContact CG2-CD1 4.11Å; V905-T1083 HydrophobicContact CG2-CG2 3.89Å
906	S	84.6	Confident	87.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-38.5	177.3	48.7	0	0	0	0	113.8	L904 V908	L904-S906 PolarHBondContact O-N 2.94Å; S906-V908 VanDerWaalsContact C-N 3.33Å; S906-V908 PolarHBondContact O-N 3.08Å
907	Q	87.7	Confident	88.1	Confident	65 Å²	65	42.7 Å²	42.7	30%	0.304	21%	0.209	S	C	.	.	H	α-helix	trans	-78.5	-14.8	-175.5	-66.8	172.2	-22.9	0	0	113.4	L903 L904 V905 D909 D910 K911	L903-Q907 HydrophobicContact CD1-CB 3.99Å; L904-Q907 HydrophobicContact CB-CB 4.26Å; L904-Q907 HydrophobicContact CB-CG 3.95Å; L904-Q907 HydrophobicContact CD1-CG 4.48Å; L904-Q907 PolarHBondContact O-N 3.04Å; V905-Q907 VanDerWaalsContact C-N 3.3Å; V905-Q907 PolarHBondContact O-N 3.13Å; Q907-D909 VanDerWaalsContact C-N 3.27Å; Q907-D909 PolarHBondContact O-N 2.67Å; Q907-D910 PolarHBondContact O-N 2.91Å; Q907-K911 WeakPolarHBondContact O-CG 3.45Å; Q907-K911 PolarHBondContact O-N 3Å
908	V	90.2	Very high	88.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-38.9	-177.3	171.7	0	0	0	0	111.9	P759 F898 L903 L904 V905 S906 I912 F975 V983 T1083	P759-V908 HydrophobicContact CG-CG1 3.61Å; F898-V908 HydrophobicContact CE1-CG1 4.23Å; F898-V908 HydrophobicContact CZ-CG1 4.09Å; L903-V908 HydrophobicContact CD2-CG2 4.03Å; L903-V908 HydrophobicContact CG-CG2 4.2Å; L904-V908 PolarHBondContact O-N 3.46Å; V905-V908 WeakPolarHBondContact O-CB 3.43Å; V905-V908 PolarHBondContact O-N 3.03Å; S906-V908 VanDerWaalsContact C-N 3.33Å; S906-V908 PolarHBondContact O-N 3.08Å; V908-I912 HydrophobicContact CG1-CD1 4.44Å; V908-I912 WeakPolarHBondContact O-CG1 3.42Å; V908-I912 PolarHBondContact O-N 2.82Å; V908-F975 HydrophobicContact CG1-CE1 4.02Å; V908-F975 HydrophobicContact CG1-CZ 4.19Å; V908-V983 HydrophobicContact CB-CG1 4.39Å; V908-T1083 HydrophobicContact CG2-CG2 3.79Å
909	D	90.9	Very high	88.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-75.5	-45.3	179.8	-158.7	57.1	0	0	0	112.3	Q907 K911 I912 E913 F975 R980 V983 K984	Q907-D909 VanDerWaalsContact C-N 3.27Å; Q907-D909 PolarHBondContact O-N 2.67Å; D909-K911 VanDerWaalsContact C-N 3.3Å; D909-K911 PolarHBondContact O-N 3.05Å; D909-I912 PolarHBondContact O-N 2.9Å; D909-E913 WeakPolarHBondContact O-CB 3.48Å; D909-E913 PolarHBondContact O-N 3.14Å; D909-F975 HydrophobicContact CB-CE1 3.87Å; D909-F975 WeakPolarHBondContact OD1-CD1 3.34Å; D909-F975 WeakPolarHBondContact OD1-CE1 3.42Å; D909-R980 VanDerWaalsContact CG-NH2 3.3Å; D909-R980 WeakPolarHBondContact OD1-CD 3.48Å; D909-R980 WeakPolarHBondContact OD1-CG 3.36Å; D909-R980 IonicContact OD1-CZ 3.77Å; D909-R980 IonicContact OD1-NE 3.65Å; D909-R980 PolarHBondContact OD1-NE 3.09Å; D909-R980 IonicContact OD1-NH2 2.84Å; D909-R980 PolarHBondContact OD1-NH2 3.17Å; D909-R980 IonicContact OD2-CZ 3.68Å; D909-R980 VanDerWaalsContact OD2-CZ 3.3Å; D909-R980 IonicContact OD2-NE 3.88Å; D909-R980 PolarHBondContact OD2-NE 3.37Å; D909-R980 IonicContact OD2-NH2 2.66Å; D909-R980 PolarHBondContact OD2-NH2 3.05Å; D909-V983 HydrophobicContact CB-CG1 4.04Å; D909-K984 WeakPolarHBondContact OD2-CE 3.39Å; D909-K984 IonicContact OD2-NZ 3.71Å
910	D	90	Very high	89.2	Confident	62 Å²	62	43 Å²	43	33%	0.332	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-40	-179.1	-58.6	-50.8	0	0	0	111.3	Q907 I912 E913 E914 Q987	Q907-D910 PolarHBondContact O-N 2.91Å; D910-I912 PolarHBondContact O-N 3.18Å; D910-E913 PolarHBondContact O-N 3.36Å; D910-E914 WeakPolarHBondContact O-CB 3.31Å; D910-E914 VanDerWaalsContact O-CG 3.28Å; D910-E914 WeakPolarHBondContact O-CG 3.2Å; D910-E914 PolarHBondContact O-N 3.2Å; D910-Q987 PolarHBondContact OD1-NE2 3.28Å; D910-Q987 PolarHBondContact OD2-NE2 3.47Å
911	K	91.8	Very high	89.8	Confident	59 Å²	59	48.2 Å²	48.2	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-71.2	-27.7	178.2	-63.4	-46	-172.6	-168.9	0	114.2	L894 I897 Q907 D909 E914 A915	L894-K911 HydrophobicContact CD1-CB 4.39Å; L894-K911 VanDerWaalsContact CD1-O 3.27Å; L894-K911 WeakPolarHBondContact CD1-O 3.38Å; I897-K911 HydrophobicContact CG2-CB 4.48Å; I897-K911 HydrophobicContact CG2-CG 4.16Å; Q907-K911 WeakPolarHBondContact O-CG 3.45Å; Q907-K911 PolarHBondContact O-N 3Å; D909-K911 VanDerWaalsContact C-N 3.3Å; D909-K911 PolarHBondContact O-N 3.05Å; K911-E914 WeakPolarHBondContact CD-OE2 3.29Å; K911-E914 IonicContact NZ-OE1 2.71Å; K911-E914 PolarHBondContact NZ-OE1 3.12Å; K911-E914 IonicContact NZ-OE2 2.97Å; K911-E914 PolarHBondContact NZ-OE2 3.19Å; K911-A915 PolarHBondContact O-N 3.44Å
912	I	92.2	Very high	90.9	Very high	4 Å²	4	41 Å²	41	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-76.4	-40.2	171.3	-70.2	170.4	0	0	0	110.6	P759 F898 V908 D909 D910 A915 I916 F975	P759-I912 HydrophobicContact CB-CD1 3.54Å; P759-I912 HydrophobicContact CG-CD1 3.22Å; F898-I912 HydrophobicContact CE2-CD1 4.49Å; F898-I912 HydrophobicContact CE2-CG1 4.25Å; F898-I912 HydrophobicContact CZ-CD1 4.05Å; F898-I912 HydrophobicContact CZ-CG1 4.25Å; V908-I912 HydrophobicContact CG1-CD1 4.44Å; V908-I912 WeakPolarHBondContact O-CG1 3.42Å; V908-I912 PolarHBondContact O-N 2.82Å; D909-I912 PolarHBondContact O-N 2.9Å; D910-I912 PolarHBondContact O-N 3.18Å; I912-A915 PolarHBondContact O-N 3.04Å; I912-I916 HydrophobicContact CG2-CD1 3.84Å; I912-I916 HydrophobicContact CG2-CG1 4.47Å; I912-I916 VanDerWaalsContact O-CG1 3.31Å; I912-I916 WeakPolarHBondContact O-CG1 3.05Å; I912-I916 PolarHBondContact O-N 3.08Å; I912-F975 HydrophobicContact CD1-CD1 4.3Å
913	E	93.1	Very high	91.8	Very high	58 Å²	58	36.9 Å²	36.9	27%	0.271	18%	0.179	S	C	.	.	H	α-helix	trans	-70.4	-36.5	178.9	-158.2	68.4	-145	0	0	111.9	D909 D910 A915 I916 Q917 R980	D909-E913 WeakPolarHBondContact O-CB 3.48Å; D909-E913 PolarHBondContact O-N 3.14Å; D910-E913 PolarHBondContact O-N 3.36Å; E913-A915 VanDerWaalsContact C-N 3.34Å; E913-A915 PolarHBondContact O-N 2.74Å; E913-I916 PolarHBondContact O-N 2.94Å; E913-Q917 WeakPolarHBondContact O-CB 3.31Å; E913-Q917 VanDerWaalsContact O-CG 3.25Å; E913-Q917 WeakPolarHBondContact O-CG 3.28Å; E913-Q917 PolarHBondContact O-N 3.07Å; E913-R980 IonicContact OE2-CZ 2.72Å; E913-R980 IonicContact OE2-NH1 2.69Å; E913-R980 PolarHBondContact OE2-NH1 3.4Å; E913-R980 IonicContact OE2-NH2 2.85Å; E913-R980 PolarHBondContact OE2-NH2 2.97Å
914	E	94.8	Very high	92.1	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-54.9	-47.5	168.4	-82	172.9	-151.4	0	0	111.4	D910 K911 Q917 E918	D910-E914 WeakPolarHBondContact O-CB 3.31Å; D910-E914 VanDerWaalsContact O-CG 3.28Å; D910-E914 WeakPolarHBondContact O-CG 3.2Å; D910-E914 PolarHBondContact O-N 3.2Å; K911-E914 WeakPolarHBondContact CD-OE2 3.29Å; K911-E914 IonicContact NZ-OE1 2.71Å; K911-E914 PolarHBondContact NZ-OE1 3.12Å; K911-E914 IonicContact NZ-OE2 2.97Å; K911-E914 PolarHBondContact NZ-OE2 3.19Å; E914-Q917 PolarHBondContact O-N 3.45Å; E914-E918 PolarHBondContact O-N 2.68Å
915	A	95.4	Very high	92.4	Very high	7 Å²	7	44.8 Å²	44.8	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-39.5	178.1	0	0	0	0	0	112.4	V890 L894 K911 I912 E913 Q917 E918 I919	V890-A915 HydrophobicContact CG1-CB 4.27Å; L894-A915 HydrophobicContact CB-CB 4.44Å; L894-A915 HydrophobicContact CD1-CB 4.21Å; L894-A915 HydrophobicContact CD2-CB 3.83Å; L894-A915 HydrophobicContact CG-CB 4.39Å; K911-A915 PolarHBondContact O-N 3.44Å; I912-A915 PolarHBondContact O-N 3.04Å; E913-A915 VanDerWaalsContact C-N 3.34Å; E913-A915 PolarHBondContact O-N 2.74Å; A915-Q917 VanDerWaalsContact C-N 3.34Å; A915-Q917 PolarHBondContact O-N 2.84Å; A915-E918 PolarHBondContact O-N 3.32Å; A915-I919 WeakPolarHBondContact O-CG1 3.49Å; A915-I919 PolarHBondContact O-N 2.94Å
916	I	95.7	Very high	92.5	Very high	15 Å²	15	46.3 Å²	46.3	8%	0.077	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.4	-74.3	168.9	0	0	0	110.5	I912 E913 E918 I919 S920 Q968 L971 A972	I912-I916 HydrophobicContact CG2-CD1 3.84Å; I912-I916 HydrophobicContact CG2-CG1 4.47Å; I912-I916 VanDerWaalsContact O-CG1 3.31Å; I912-I916 WeakPolarHBondContact O-CG1 3.05Å; I912-I916 PolarHBondContact O-N 3.08Å; E913-I916 PolarHBondContact O-N 2.94Å; I916-E918 VanDerWaalsContact C-N 3.34Å; I916-E918 PolarHBondContact O-N 3.21Å; I916-I919 PolarHBondContact O-N 2.74Å; I916-S920 WeakPolarHBondContact O-CB 3.42Å; I916-S920 PolarHBondContact O-N 3.48Å; I916-Q968 HydrophobicContact CG2-CB 4.3Å; I916-Q968 HydrophobicContact CG2-CG 4.1Å; I916-L971 HydrophobicContact CD1-CB 4.01Å; I916-L971 HydrophobicContact CG1-CB 3.73Å; I916-L971 HydrophobicContact CG1-CD1 3.99Å; I916-A972 HydrophobicContact CD1-CB 4.14Å
917	Q	95.9	Very high	92.9	Very high	110 Å²	110	46.8 Å²	46.8	51%	0.514	24%	0.242	S	C	.	.	H	α-helix	trans	-66.3	-33.9	176.2	-70.8	172	34.6	0	0	112.5	E913 E914 A915 S920 R921	E913-Q917 WeakPolarHBondContact O-CB 3.31Å; E913-Q917 VanDerWaalsContact O-CG 3.25Å; E913-Q917 WeakPolarHBondContact O-CG 3.28Å; E913-Q917 PolarHBondContact O-N 3.07Å; E914-Q917 PolarHBondContact O-N 3.45Å; A915-Q917 VanDerWaalsContact C-N 3.34Å; A915-Q917 PolarHBondContact O-N 2.84Å; Q917-S920 WeakPolarHBondContact O-CB 3.44Å; Q917-S920 PolarHBondContact O-N 3.4Å; Q917-R921 WeakPolarHBondContact O-CG 3.42Å; Q917-R921 PolarHBondContact O-N 3.38Å
918	E	95.4	Very high	93.1	Very high	51 Å²	51	51 Å²	51	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-69.8	-46.7	174.5	-170.8	151.4	-103	0	0	112.7	V890 R893 E914 A915 I916 S920 R921 L922	V890-E918 HydrophobicContact CG1-CB 4.07Å; V890-E918 HydrophobicContact CG1-CG 4.1Å; V890-E918 HydrophobicContact CG2-CG 3.7Å; R893-E918 IonicContact CZ-OE2 3.87Å; R893-E918 IonicContact NE-OE2 2.79Å; R893-E918 IonicContact NH2-OE1 2.7Å; R893-E918 IonicContact NH2-OE2 2.61Å; R893-E918 PolarHBondContact NH2-OE2 2.68Å; E914-E918 PolarHBondContact O-N 2.68Å; A915-E918 PolarHBondContact O-N 3.32Å; I916-E918 VanDerWaalsContact C-N 3.34Å; I916-E918 PolarHBondContact O-N 3.21Å; E918-S920 PolarHBondContact O-N 2.79Å; E918-R921 VanDerWaalsContact CB-NH2 3.33Å; E918-R921 VanDerWaalsContact CG-NH2 3.34Å; E918-R921 PolarHBondContact O-N 3.4Å; E918-R921 VanDerWaalsContact O-N 3.16Å; E918-R921 IonicContact OE1-CZ 2.68Å; E918-R921 IonicContact OE1-NH1 3.19Å; E918-R921 IonicContact OE1-NH2 3.39Å; E918-R921 PolarHBondContact OE1-NH2 3.06Å; E918-L922 PolarHBondContact O-N 2.68Å
919	I	96.4	Very high	93.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-33.2	171.3	-64.4	-62.4	0	0	0	111.3	V887 V890 A915 I916 L922 C964 T967 Q968 L971	V887-I919 HydrophobicContact CG1-CD1 4.13Å; V887-I919 HydrophobicContact CG2-CD1 4.49Å; V890-I919 HydrophobicContact CB-CD1 3.82Å; V890-I919 HydrophobicContact CG1-CD1 3.84Å; V890-I919 HydrophobicContact CG1-CG1 4Å; V890-I919 HydrophobicContact CG2-CD1 4.11Å; A915-I919 WeakPolarHBondContact O-CG1 3.49Å; A915-I919 PolarHBondContact O-N 2.94Å; I916-I919 PolarHBondContact O-N 2.74Å; I919-L922 HydrophobicContact CD1-CD1 4.21Å; I919-L922 PolarHBondContact O-N 3Å; I919-C964 HydrophobicContact CG2-CB 4.07Å; I919-C964 WeakPolarHBondContact CG2-O 3.31Å; I919-C964 WeakPolarHBondContact O-CB 3.3Å; I919-C964 PolarHBondContact O-SG 2.66Å; I919-T967 HydrophobicContact CB-CG2 4.44Å; I919-T967 HydrophobicContact CD1-CG2 4.03Å; I919-T967 HydrophobicContact CG1-CG2 3.89Å; I919-T967 HydrophobicContact CG2-CG2 3.79Å; I919-Q968 HydrophobicContact CB-CG 4.25Å; I919-Q968 HydrophobicContact CG2-CG 3.85Å; I919-L971 HydrophobicContact CG1-CD1 4.36Å
920	S	95.6	Very high	93.3	Very high	48 Å²	48	53.2 Å²	53.2	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-48	174.1	-161.3	0	0	0	0	111.8	I916 Q917 E918 L922 A923 Q968	I916-S920 WeakPolarHBondContact O-CB 3.42Å; I916-S920 PolarHBondContact O-N 3.48Å; Q917-S920 WeakPolarHBondContact O-CB 3.44Å; Q917-S920 PolarHBondContact O-N 3.4Å; E918-S920 PolarHBondContact O-N 2.79Å; S920-L922 PolarHBondContact O-N 3.16Å; S920-A923 VanDerWaalsContact O-CB 3.32Å; S920-A923 WeakPolarHBondContact O-CB 3.36Å; S920-A923 PolarHBondContact O-N 2.76Å; S920-Q968 VanDerWaalsContact CA-NE2 3.33Å
921	R	95.5	Very high	93.4	Very high	136 Å²	136	54.7 Å²	54.7	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-57.2	-33.7	173.4	-72.8	-179.4	-71.1	131.5	-1.7	113	Q917 E918 A923 D924 S925	Q917-R921 WeakPolarHBondContact O-CG 3.42Å; Q917-R921 PolarHBondContact O-N 3.38Å; E918-R921 VanDerWaalsContact CB-NH2 3.33Å; E918-R921 VanDerWaalsContact CG-NH2 3.34Å; E918-R921 PolarHBondContact O-N 3.4Å; E918-R921 VanDerWaalsContact O-N 3.16Å; E918-R921 IonicContact OE1-CZ 2.68Å; E918-R921 IonicContact OE1-NH1 3.19Å; E918-R921 IonicContact OE1-NH2 3.39Å; E918-R921 PolarHBondContact OE1-NH2 3.06Å; R921-A923 PolarHBondContact O-N 3.33Å; R921-D924 PolarHBondContact O-N 2.66Å; R921-S925 PolarHBondContact O-N 3.21Å; R921-S925 PolarHBondContact O-OG 2.77Å
922	L	95	Very high	93.3	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-15.1	176.3	-72	-177.2	0	0	0	114.6	F883 D886 V887 V890 E918 I919 S920 S925 R960	F883-L922 HydrophobicContact CE2-CB 4.31Å; D886-L922 HydrophobicContact CB-CD1 4.03Å; D886-L922 HydrophobicContact CB-CD2 4.11Å; V887-L922 HydrophobicContact CG2-CD1 4.11Å; V890-L922 HydrophobicContact CG2-CD1 3.9Å; E918-L922 PolarHBondContact O-N 2.68Å; I919-L922 HydrophobicContact CD1-CD1 4.21Å; I919-L922 PolarHBondContact O-N 3Å; S920-L922 PolarHBondContact O-N 3.16Å; L922-S925 CarbonylContact C-O 3.52Å; L922-S925 WeakPolarHBondContact CA-O 3.24Å; L922-R960 VanDerWaalsContact O-CZ 3.29Å; L922-R960 PolarHBondContact O-NE 2.97Å; L922-R960 PolarHBondContact O-NH2 3.46Å
923	A	92.4	Very high	93.1	Very high	14 Å²	14	56 Å²	56	12%	0.116	28%	0.282	C	S	.	.	H	α-helix	trans	-75	-35.4	174.7	0	0	0	0	0	112.7	S920 R921 Q957 R960 C964	S920-A923 VanDerWaalsContact O-CB 3.32Å; S920-A923 WeakPolarHBondContact O-CB 3.36Å; S920-A923 PolarHBondContact O-N 2.76Å; R921-A923 PolarHBondContact O-N 3.33Å; A923-Q957 PolarHBondContact O-NE2 2.74Å; A923-Q957 VanDerWaalsContact O-NE2 3.11Å; A923-R960 PolarHBondContact O-NE 3.46Å; A923-R960 PolarHBondContact O-NH1 3.41Å; A923-R960 PolarHBondContact O-NH2 3.04Å; A923-C964 HydrophobicContact CB-CB 3.89Å
924	D	89.8	Confident	92.9	Very high	132 Å²	132	57 Å²	57	71%	0.706	29%	0.287	S	S	*	.	H	α-helix	trans	-96	-58.8	-178.2	-63.2	-49.2	0	0	0	111.2	R921 R960	R921-D924 PolarHBondContact O-N 2.66Å; D924-R960 PolarHBondContact O-NH1 3.08Å; D924-R960 PolarHBondContact O-NH2 3.24Å
925	S	90.4	Very high	92.5	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	29%	0.294	S	S	.	.	S	Bend	trans	-95.5	140.5	179.6	48.2	0	0	0	0	112.7	R921 L922 R960	R921-S925 PolarHBondContact O-N 3.21Å; R921-S925 PolarHBondContact O-OG 2.77Å; L922-S925 CarbonylContact C-O 3.52Å; L922-S925 WeakPolarHBondContact CA-O 3.24Å; S925-R960 PolarHBondContact O-NH2 3.32Å
926	P	90.5	Very high	91.8	Very high	43 Å²	43	62 Å²	62	28%	0.279	31%	0.311	S	S	.	.			trans	-65.5	153.5	174.2	29.3	-35.1	0	0	0	111	L930 Q931	P926-L930 HydrophobicContact CB-CB 3.81Å; P926-L930 HydrophobicContact CB-CD2 3.88Å; P926-L930 HydrophobicContact CB-CG 3.78Å; P926-Q931 HydrophobicContact CB-CB 4.36Å; P926-Q931 HydrophobicContact CG-CB 4.3Å
927	G	91.8	Very high	91	Very high	13 Å²	13	62.9 Å²	62.9	13%	0.134	31%	0.314	C	S	.	.			trans	-86	-172.3	166.2	0	0	0	0	0	111.4	D886 Y929 L930 Q931	D886-G927 VanDerWaalsContact OD1-CA 3.32Å; D886-G927 WeakPolarHBondContact OD1-CA 3.33Å; D886-G927 VanDerWaalsContact OD2-CA 3.29Å; D886-G927 WeakPolarHBondContact OD2-CA 3.39Å; D886-G927 PolarHBondContact OD2-N 3.35Å; G927-Y929 VanDerWaalsContact C-N 3.33Å; G927-Y929 PolarHBondContact O-N 2.71Å; G927-L930 PolarHBondContact O-N 2.75Å; G927-Q931 WeakPolarHBondContact O-CB 3.49Å; G927-Q931 PolarHBondContact O-N 3.05Å
928	E	91.9	Very high	89.7	Confident	154 Å²	154	67.7 Å²	67.7	72%	0.72	33%	0.328	S	S	*	.	H	α-helix	trans	-60.2	-41.6	-175.8	-61.7	179	151.3	0	0	112.1	D886 E932	D886-E928 PolarHBondContact OD1-N 2.86Å; E928-E932 PolarHBondContact O-N 2.78Å
929	Y	93.1	Very high	88.1	Confident	47 Å²	47	73.8 Å²	73.8	18%	0.184	36%	0.356	C	S	.	.	H	α-helix	trans	-72.4	-48.4	179.4	-71.2	-87.2	0	0	0	111.2	N836 Y882 L885 D886 A889 G927 Q931 E932 F933	N836-Y929 PolarHBondContact ND2-OH 3.31Å; N836-Y929 WeakPolarHBondContact OD1-CE1 3.24Å; Y882-Y929 HydrophobicContact CD1-CD1 4.46Å; Y882-Y929 WeakPolarHBondContact CD1-O 3.44Å; Y882-Y929 VanDerWaalsContact O-CB 3.3Å; Y882-Y929 WeakPolarHBondContact O-CB 3.48Å; L885-Y929 HydrophobicContact CB-CD1 3.84Å; L885-Y929 HydrophobicContact CB-CD2 3.84Å; L885-Y929 HydrophobicContact CB-CE1 4.14Å; L885-Y929 HydrophobicContact CB-CE2 4.16Å; L885-Y929 HydrophobicContact CB-CG 3.67Å; L885-Y929 HydrophobicContact CD1-CD1 3.83Å; L885-Y929 HydrophobicContact CD1-CE1 3.98Å; L885-Y929 HydrophobicContact CD1-CG 4.46Å; L885-Y929 HydrophobicContact CG-CD1 4.41Å; L885-Y929 HydrophobicContact CG-CE1 4.47Å; D886-Y929 WeakPolarHBondContact OD1-CB 3.38Å; D886-Y929 PolarHBondContact OD1-N 3.14Å; A889-Y929 HydrophobicContact CB-CE2 4.38Å; G927-Y929 VanDerWaalsContact C-N 3.33Å; G927-Y929 PolarHBondContact O-N 2.71Å; Y929-Q931 VanDerWaalsContact C-N 3.27Å; Y929-Q931 PolarHBondContact O-N 2.66Å; Y929-E932 PolarHBondContact O-N 2.68Å; Y929-F933 PolarHBondContact O-N 3.08Å
930	L	92.6	Very high	86.7	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-32.5	178.6	-173.4	60.1	0	0	0	112	K879 F883 D886 P926 G927 F933 E934 F956	K879-L930 HydrophobicContact CD-CD1 4.27Å; K879-L930 HydrophobicContact CG-CD1 3.52Å; F883-L930 HydrophobicContact CB-CD1 4.41Å; F883-L930 HydrophobicContact CB-CD2 4.3Å; F883-L930 HydrophobicContact CD2-CD2 4.09Å; D886-L930 WeakPolarHBondContact OD2-CB 3.48Å; D886-L930 PolarHBondContact OD2-N 3.17Å; P926-L930 HydrophobicContact CB-CB 3.81Å; P926-L930 HydrophobicContact CB-CD2 3.88Å; P926-L930 HydrophobicContact CB-CG 3.78Å; G927-L930 PolarHBondContact O-N 2.75Å; L930-F933 HydrophobicContact CD1-CD1 4.45Å; L930-F933 PolarHBondContact O-N 2.99Å; L930-E934 WeakPolarHBondContact O-CG 3.44Å; L930-E934 PolarHBondContact O-N 2.87Å; L930-F956 HydrophobicContact CD1-CE1 4.48Å; L930-F956 HydrophobicContact CD1-CZ 4.02Å; L930-F956 HydrophobicContact CD2-CE1 4.16Å; L930-F956 HydrophobicContact CD2-CZ 3.93Å
931	Q	92.1	Very high	85.4	Confident	93 Å²	93	73.5 Å²	73.5	44%	0.435	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-43	173.2	-176.8	176.5	-19	0	0	111.7	P926 G927 Y929 F933 E934 E935	P926-Q931 HydrophobicContact CB-CB 4.36Å; P926-Q931 HydrophobicContact CG-CB 4.3Å; G927-Q931 WeakPolarHBondContact O-CB 3.49Å; G927-Q931 PolarHBondContact O-N 3.05Å; Y929-Q931 VanDerWaalsContact C-N 3.27Å; Y929-Q931 PolarHBondContact O-N 2.66Å; Q931-F933 VanDerWaalsContact C-N 3.27Å; Q931-F933 PolarHBondContact O-N 3.38Å; Q931-E934 PolarHBondContact O-N 3.18Å; Q931-E934 VanDerWaalsContact O-N 3.16Å; Q931-E935 HydrophobicContact CG-CG 4.26Å; Q931-E935 PolarHBondContact NE2-OE1 3.46Å; Q931-E935 WeakPolarHBondContact O-CG 3.44Å; Q931-E935 PolarHBondContact O-N 2.95Å
932	E	89.7	Confident	84	Confident	92 Å²	92	70 Å²	70	43%	0.43	35%	0.345	S	S	.	.	H	α-helix	trans	-56.1	-43.7	172.8	-179.8	-175.4	-161.2	0	0	111.1	E928 Y929 N936	E928-E932 PolarHBondContact O-N 2.78Å; Y929-E932 PolarHBondContact O-N 2.68Å; E932-N936 VanDerWaalsContact CG-ND2 3.35Å; E932-N936 WeakPolarHBondContact CG-ND2 3.36Å; E932-N936 WeakPolarHBondContact O-CB 3.39Å; E932-N936 PolarHBondContact O-N 3.44Å; E932-N936 VanDerWaalsContact O-N 3.09Å; E932-N936 PolarHBondContact O-ND2 3.31Å
933	F	88.9	Confident	82.5	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-46.9	175.5	176.4	-95.6	0	0	0	111.9	Y875 I878 K879 Y882 Y929 L930 Q931 N936 F937 F941	Y875-F933 HydrophobicContact CD2-CE1 4.38Å; Y875-F933 AromaticContact CD2-CZ 3.92Å; Y875-F933 HydrophobicContact CD2-CZ 3.92Å; Y875-F933 AromaticContact CE2-CE1 3.6Å; Y875-F933 HydrophobicContact CE2-CE1 3.6Å; Y875-F933 AromaticContact CE2-CZ 3.56Å; Y875-F933 HydrophobicContact CE2-CZ 3.56Å; Y875-F933 AromaticContact CZ-CE1 3.87Å; I878-F933 HydrophobicContact CB-CE2 4.24Å; I878-F933 HydrophobicContact CG2-CD2 3.99Å; I878-F933 HydrophobicContact CG2-CE2 3.62Å; K879-F933 HydrophobicContact CB-CD1 4.24Å; K879-F933 HydrophobicContact CB-CE1 3.71Å; K879-F933 HydrophobicContact CB-CZ 4Å; K879-F933 HydrophobicContact CD-CD1 4.33Å; K879-F933 HydrophobicContact CD-CE1 3.88Å; K879-F933 HydrophobicContact CG-CD1 3.82Å; K879-F933 HydrophobicContact CG-CE1 3.61Å; K879-F933 HydrophobicContact CG-CZ 4.4Å; Y882-F933 HydrophobicContact CD1-CB 4.02Å; Y882-F933 HydrophobicContact CD2-CB 3.88Å; Y882-F933 AromaticContact CD2-CD2 3.71Å; Y882-F933 HydrophobicContact CD2-CD2 3.71Å; Y882-F933 HydrophobicContact CD2-CG 4.07Å; Y882-F933 HydrophobicContact CE1-CB 4.33Å; Y882-F933 HydrophobicContact CE2-CB 4.21Å; Y882-F933 AromaticContact CE2-CD2 3.75Å; Y882-F933 HydrophobicContact CE2-CD2 3.75Å; Y882-F933 HydrophobicContact CE2-CG 4.4Å; Y882-F933 HydrophobicContact CG-CB 3.77Å; Y882-F933 HydrophobicContact CG-CD2 4.45Å; Y882-F933 HydrophobicContact CG-CG 4.39Å; Y929-F933 PolarHBondContact O-N 3.08Å; L930-F933 HydrophobicContact CD1-CD1 4.45Å; L930-F933 PolarHBondContact O-N 2.99Å; Q931-F933 VanDerWaalsContact C-N 3.27Å; Q931-F933 PolarHBondContact O-N 3.38Å; F933-N936 PolarHBondContact O-N 2.94Å; F933-F937 HydrophobicContact CZ-CD2 4.3Å; F933-F937 WeakPolarHBondContact O-CB 3.1Å; F933-F937 PolarHBondContact O-N 3.47Å; F933-F941 AromaticContact CD2-CD2 3.75Å; F933-F941 HydrophobicContact CD2-CD2 3.75Å; F933-F941 AromaticContact CD2-CE2 3.49Å; F933-F941 HydrophobicContact CD2-CE2 3.49Å; F933-F941 VanDerWaalsContact CD2-CE2 3.49Å; F933-F941 HydrophobicContact CD2-CZ 4.05Å; F933-F941 AromaticContact CE2-CD2 3.64Å; F933-F941 HydrophobicContact CE2-CD2 3.64Å; F933-F941 AromaticContact CE2-CE2 3.84Å; F933-F941 HydrophobicContact CE2-CE2 3.84Å; F933-F941 HydrophobicContact CE2-CG 4.03Å; F933-F941 HydrophobicContact CE2-CZ 4.37Å; F933-F941 HydrophobicContact CG-CE2 4.49Å
934	E	87.4	Confident	81.5	Confident	79 Å²	79	72.4 Å²	72.4	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-71.2	-29.4	-177.9	-70.5	-171.1	157.4	0	0	113.9	K879 L930 Q931	K879-E934 WeakPolarHBondContact CE-OE1 3.3Å; K879-E934 IonicContact NZ-OE1 2.81Å; K879-E934 PolarHBondContact NZ-OE1 3.06Å; L930-E934 WeakPolarHBondContact O-CG 3.44Å; L930-E934 PolarHBondContact O-N 2.87Å; Q931-E934 PolarHBondContact O-N 3.18Å; Q931-E934 VanDerWaalsContact O-N 3.16Å
935	E	86.1	Confident	80.8	Confident	128 Å²	128	69.3 Å²	69.3	60%	0.598	36%	0.364	S	S	*	.	H	α-helix	trans	-75.1	-36.8	173.6	-72.8	-172.9	-165.2	0	0	112.9	Q931 F937	Q931-E935 HydrophobicContact CG-CG 4.26Å; Q931-E935 PolarHBondContact NE2-OE1 3.46Å; Q931-E935 WeakPolarHBondContact O-CG 3.44Å; Q931-E935 PolarHBondContact O-N 2.95Å; E935-F937 VanDerWaalsContact C-N 3.32Å
936	N	82.6	Confident	80	Confident	77 Å²	77	67.3 Å²	67.3	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-76.3	-19.3	174	-74.6	-57.6	0	0	0	112.9	E932 F933 F941	E932-N936 VanDerWaalsContact CG-ND2 3.35Å; E932-N936 WeakPolarHBondContact CG-ND2 3.36Å; E932-N936 WeakPolarHBondContact O-CB 3.39Å; E932-N936 PolarHBondContact O-N 3.44Å; E932-N936 VanDerWaalsContact O-N 3.09Å; E932-N936 PolarHBondContact O-ND2 3.31Å; F933-N936 PolarHBondContact O-N 2.94Å; N936-F941 HydrophobicContact CB-CE2 4.31Å
937	F	78.9	Confident	79	Confident	33 Å²	33	69.6 Å²	69.6	15%	0.145	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-87.2	127.6	-179.7	-173.1	-99.9	0	0	0	112.6	Y875 F933 E935 F941 M946 L949	Y875-F937 HydrophobicContact CD2-CD2 4.23Å; Y875-F937 HydrophobicContact CD2-CE1 4.33Å; Y875-F937 AromaticContact CD2-CE2 3.58Å; Y875-F937 HydrophobicContact CD2-CE2 3.58Å; Y875-F937 AromaticContact CD2-CZ 3.63Å; Y875-F937 HydrophobicContact CD2-CZ 3.63Å; Y875-F937 AromaticContact CE2-CD1 3.91Å; Y875-F937 HydrophobicContact CE2-CD1 3.91Å; Y875-F937 AromaticContact CE2-CD2 3.81Å; Y875-F937 HydrophobicContact CE2-CD2 3.81Å; Y875-F937 AromaticContact CE2-CE1 3.56Å; Y875-F937 HydrophobicContact CE2-CE1 3.56Å; Y875-F937 AromaticContact CE2-CE2 3.46Å; Y875-F937 HydrophobicContact CE2-CE2 3.46Å; Y875-F937 VanDerWaalsContact CE2-CE2 3.46Å; Y875-F937 HydrophobicContact CE2-CG 4.02Å; Y875-F937 AromaticContact CE2-CZ 3.32Å; Y875-F937 HydrophobicContact CE2-CZ 3.32Å; F933-F937 HydrophobicContact CZ-CD2 4.3Å; F933-F937 WeakPolarHBondContact O-CB 3.1Å; F933-F937 PolarHBondContact O-N 3.47Å; E935-F937 VanDerWaalsContact C-N 3.32Å; F937-F941 HydrophobicContact CD2-CB 4.09Å; F937-M946 HydrophobicContact CE2-CB 4.31Å; F937-M946 HydrophobicContact CE2-CG 4.05Å; F937-L949 HydrophobicContact CE1-CD2 4.41Å; F937-L949 HydrophobicContact CZ-CD1 4.14Å; F937-L949 HydrophobicContact CZ-CD2 3.91Å; F937-L949 HydrophobicContact CZ-CG 3.93Å
938	R	68.6	Low	77.7	Confident	211 Å²	211	74.2 Å²	74.2	80%	0.796	38%	0.376	S	S	*	.	S	Bend	trans	-128.9	-91.2	171.9	-60.5	-175.7	-174.4	-175.4	2.2	111.2	S940	R938-S940 PolarHBondContact N-O 2.72Å
939	E	62.1	Low	76.6	Confident	179 Å²	179	69.8 Å²	69.8	84%	0.836	36%	0.357	S	S	*	.	S	Bend	trans	-107.3	-7.5	169.2	-59.2	-175.7	151.8	0	0	111.5
940	S	65.2	Low	75.2	Confident	39 Å²	39	79 Å²	79	27%	0.273	39%	0.391	S	S	.	.	S	Bend	trans	-147.5	158	177.4	53.5	0	0	0	0	108.8	R938 I944	R938-S940 PolarHBondContact N-O 2.72Å; S940-I944 CarbonylContact C-O 3.58Å; S940-I944 VanDerWaalsContact CA-O 3.27Å; S940-I944 WeakPolarHBondContact CA-O 3.44Å; S940-I944 VanDerWaalsContact CB-C 3.48Å; S940-I944 WeakPolarHBondContact CB-O 3.38Å
941	F	68.9	Low	74.1	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.009	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-103.8	119.2	171.5	-179.4	-113.3	0	0	0	108.3	Y842 I878 Y882 F933 N936 F937 G943 I944 M946	Y842-F941 HydrophobicContact CD1-CD1 4.17Å; Y842-F941 AromaticContact CD1-CE1 3.79Å; Y842-F941 HydrophobicContact CD1-CE1 3.79Å; Y842-F941 AromaticContact CE1-CD1 3.47Å; Y842-F941 HydrophobicContact CE1-CD1 3.47Å; Y842-F941 VanDerWaalsContact CE1-CD1 3.47Å; Y842-F941 AromaticContact CE1-CE1 3.56Å; Y842-F941 HydrophobicContact CE1-CE1 3.56Å; Y842-F941 HydrophobicContact CE2-CE1 4.4Å; Y842-F941 HydrophobicContact CG-CE1 4.3Å; Y842-F941 AromaticContact CZ-CD1 3.7Å; Y842-F941 AromaticContact CZ-CE1 3.91Å; I878-F941 HydrophobicContact CG2-CD1 4.42Å; I878-F941 HydrophobicContact CG2-CE1 4.1Å; I878-F941 HydrophobicContact CG2-CZ 4.47Å; Y882-F941 HydrophobicContact CE2-CE2 4.45Å; Y882-F941 AromaticContact CE2-CZ 3.89Å; Y882-F941 HydrophobicContact CE2-CZ 3.89Å; Y882-F941 WeakPolarHBondContact OH-CZ 3.45Å; F933-F941 AromaticContact CD2-CD2 3.75Å; F933-F941 HydrophobicContact CD2-CD2 3.75Å; F933-F941 AromaticContact CD2-CE2 3.49Å; F933-F941 HydrophobicContact CD2-CE2 3.49Å; F933-F941 VanDerWaalsContact CD2-CE2 3.49Å; F933-F941 HydrophobicContact CD2-CZ 4.05Å; F933-F941 AromaticContact CE2-CD2 3.64Å; F933-F941 HydrophobicContact CE2-CD2 3.64Å; F933-F941 AromaticContact CE2-CE2 3.84Å; F933-F941 HydrophobicContact CE2-CE2 3.84Å; F933-F941 HydrophobicContact CE2-CG 4.03Å; F933-F941 HydrophobicContact CE2-CZ 4.37Å; F933-F941 HydrophobicContact CG-CE2 4.49Å; N936-F941 HydrophobicContact CB-CE2 4.31Å; F937-F941 HydrophobicContact CD2-CB 4.09Å; F941-G943 PolarHBondContact O-N 3.19Å; F941-G943 VanDerWaalsContact O-N 3.11Å; F941-I944 PolarHBondContact N-O 3.47Å; F941-I944 WeakPolarHBondContact O-CB 3.3Å; F941-I944 PolarHBondContact O-N 2.94Å; F941-M946 HydrophobicContact CB-CG 3.69Å; F941-M946 HydrophobicContact CB-SD 3.91Å
942	N	66.7	Low	73.2	Confident	62 Å²	62	79.2 Å²	79.2	33%	0.332	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	38.1	-172.8	-60	-15	0	0	0	113.5	L843 I944	L843-N942 HydrophobicContact CD1-CB 4.37Å; L843-N942 HydrophobicContact CD2-CB 3.71Å; L843-N942 WeakPolarHBondContact CD2-O 3.43Å; L843-N942 HydrophobicContact CG-CB 4.22Å; N942-I944 VanDerWaalsContact C-N 3.32Å; N942-I944 PolarHBondContact O-N 3.24Å
943	G	63.1	Low	72.8	Confident	65 Å²	65	78 Å²	78	67%	0.67	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	0.6	-178.2	0	0	0	0	0	115.7	F941	F941-G943 PolarHBondContact O-N 3.19Å; F941-G943 VanDerWaalsContact O-N 3.11Å
944	I	71.9	Confident	72.4	Confident	13 Å²	13	81.6 Å²	81.6	7%	0.067	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-96.3	121.8	175.9	-64.6	150.6	0	0	0	109.9	Y842 L843 V846 M873 S940 F941 N942 M946	Y842-I944 HydrophobicContact CD1-CD1 4.38Å; Y842-I944 HydrophobicContact CE1-CD1 3.57Å; L843-I944 HydrophobicContact CD2-CD1 3.65Å; V846-I944 HydrophobicContact CB-CD1 4.18Å; V846-I944 HydrophobicContact CG1-CD1 3.69Å; V846-I944 HydrophobicContact CG1-CG1 4.4Å; M873-I944 HydrophobicContact CE-CG2 3.9Å; M873-I944 HydrophobicContact CG-CG2 3.93Å; M873-I944 HydrophobicContact SD-CG2 4.34Å; S940-I944 CarbonylContact C-O 3.58Å; S940-I944 VanDerWaalsContact CA-O 3.27Å; S940-I944 WeakPolarHBondContact CA-O 3.44Å; S940-I944 VanDerWaalsContact CB-C 3.48Å; S940-I944 WeakPolarHBondContact CB-O 3.38Å; F941-I944 PolarHBondContact N-O 3.47Å; F941-I944 WeakPolarHBondContact O-CB 3.3Å; F941-I944 PolarHBondContact O-N 2.94Å; N942-I944 VanDerWaalsContact C-N 3.32Å; N942-I944 PolarHBondContact O-N 3.24Å; I944-M946 HydrophobicContact CG2-SD 4.36Å; I944-M946 PolarHBondContact O-N 3.03Å
945	A	73.6	Confident	72.3	Confident	67 Å²	67	83.3 Å²	83.3	55%	0.554	43%	0.429	S	S	*	.			trans	-67.7	111.8	177.5	0	0	0	0	0	110.9	M873	M873-A945 WeakPolarHBondContact CE-O 3.27Å
946	M	73.9	Confident	72.4	Confident	17 Å²	17	77.3 Å²	77.3	8%	0.084	40%	0.401	C	S	.	.			trans	-81.6	152.9	-177.8	-58.2	-59	-80.1	0	0	111.6	Y875 I878 F937 F941 I944 L949	Y875-M946 HydrophobicContact CD2-CB 4.43Å; I878-M946 HydrophobicContact CB-CE 4.23Å; I878-M946 HydrophobicContact CG1-CE 3.79Å; F937-M946 HydrophobicContact CE2-CB 4.31Å; F937-M946 HydrophobicContact CE2-CG 4.05Å; F941-M946 HydrophobicContact CB-CG 3.69Å; F941-M946 HydrophobicContact CB-SD 3.91Å; I944-M946 HydrophobicContact CG2-SD 4.36Å; I944-M946 PolarHBondContact O-N 3.03Å; M946-L949 HydrophobicContact CB-CD1 4.02Å; M946-L949 WeakPolarHBondContact O-CD1 3.35Å
947	K	69.9	Low	72.7	Confident	90 Å²	90	75.9 Å²	75.9	39%	0.391	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-94.6	164.9	-179.7	-64.7	173.8	-175.7	169.7	0	111.8	M873 Y875 L949	M873-K947 PolarHBondContact O-N 2.8Å; Y875-K947 VanDerWaalsContact CB-O 3.24Å; Y875-K947 WeakPolarHBondContact CB-O 3.32Å; K947-L949 VanDerWaalsContact C-N 3.26Å; K947-L949 PolarHBondContact O-N 2.83Å
948	N	65.1	Low	73.2	Confident	110 Å²	110	76.5 Å²	76.5	59%	0.588	40%	0.401	S	S	*	.			trans	66.7	-10.5	166.2	-54.7	-36.1	0	0	0	119.6	D874 R950 V951 A952	D874-N948 PolarHBondContact OD1-ND2 2.87Å; N948-R950 PolarHBondContact O-N 2.93Å; N948-V951 PolarHBondContact O-N 3.47Å; N948-V951 VanDerWaalsContact O-N 3.08Å; N948-A952 HydrophobicContact CB-CB 4.3Å; N948-A952 PolarHBondContact O-N 3.13Å; N948-A952 VanDerWaalsContact O-N 3.15Å
949	L	69.1	Low	74.3	Confident	61 Å²	61	67.2 Å²	67.2	32%	0.319	37%	0.367	S	S	.	.	H	α-helix	trans	-7.7	-78.3	-179.7	-87.4	65.7	0	0	0	116.6	Y875 F937 M946 K947 V951 A952 E953	Y875-L949 HydrophobicContact CD2-CD1 4.38Å; Y875-L949 HydrophobicContact CG-CD1 4.44Å; F937-L949 HydrophobicContact CE1-CD2 4.41Å; F937-L949 HydrophobicContact CZ-CD1 4.14Å; F937-L949 HydrophobicContact CZ-CD2 3.91Å; F937-L949 HydrophobicContact CZ-CG 3.93Å; M946-L949 HydrophobicContact CB-CD1 4.02Å; M946-L949 WeakPolarHBondContact O-CD1 3.35Å; K947-L949 VanDerWaalsContact C-N 3.26Å; K947-L949 PolarHBondContact O-N 2.83Å; L949-V951 VanDerWaalsContact C-N 3.28Å; L949-V951 PolarHBondContact O-N 2.88Å; L949-A952 WeakPolarHBondContact O-CB 3.29Å; L949-A952 PolarHBondContact O-N 3.14Å; L949-E953 PolarHBondContact O-N 2.99Å
950	R	63.3	Low	75.7	Confident	240 Å²	240	59.5 Å²	59.5	91%	0.906	33%	0.33	S	S	*	.	H	α-helix	trans	-64.6	-25.9	-167.1	-66.1	-172.2	-177.4	-175.9	1.4	114.9	N948	N948-R950 PolarHBondContact O-N 2.93Å
951	V	69.8	Low	77	Confident	96 Å²	96	62.1 Å²	62.1	58%	0.582	34%	0.338	S	S	*	.	H	α-helix	trans	-94.9	-25.8	176.2	179	0	0	0	0	110.7	N948 L949 K955	N948-V951 PolarHBondContact O-N 3.47Å; N948-V951 VanDerWaalsContact O-N 3.08Å; L949-V951 VanDerWaalsContact C-N 3.28Å; L949-V951 PolarHBondContact O-N 2.88Å; V951-K955 HydrophobicContact CG1-CD 4.41Å; V951-K955 WeakPolarHBondContact O-CD 3.39Å; V951-K955 WeakPolarHBondContact O-CG 3.25Å
952	A	73.5	Confident	78.1	Confident	3 Å²	3	66.3 Å²	66.3	3%	0.025	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-42.5	174.2	0	0	0	0	0	112.1	Y875 Q876 N948 L949 K955 F956	Y875-A952 HydrophobicContact CD1-CB 3.83Å; Q876-A952 HydrophobicContact CB-CB 4.06Å; N948-A952 HydrophobicContact CB-CB 4.3Å; N948-A952 PolarHBondContact O-N 3.13Å; N948-A952 VanDerWaalsContact O-N 3.15Å; L949-A952 WeakPolarHBondContact O-CB 3.29Å; L949-A952 PolarHBondContact O-N 3.14Å; A952-K955 WeakPolarHBondContact O-CB 3.3Å; A952-K955 PolarHBondContact O-N 3.37Å; A952-F956 WeakPolarHBondContact O-CB 3.27Å; A952-F956 PolarHBondContact O-N 2.72Å
953	E	80.8	Confident	79.3	Confident	66 Å²	66	63.4 Å²	63.4	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-60.2	-51.9	-175.4	-168.9	58.9	-127	0	0	113.2	Y875 K879 L949 K955 F956 Q957	Y875-E953 VanDerWaalsContact CE1-OE2 3.25Å; Y875-E953 WeakPolarHBondContact CE1-OE2 3.24Å; Y875-E953 PolarHBondContact OH-OE2 2.91Å; Y875-E953 VanDerWaalsContact OH-OE2 3.07Å; K879-E953 IonicContact NZ-OE1 3.95Å; K879-E953 PolarHBondContact NZ-OE1 2.59Å; K879-E953 IonicContact NZ-OE2 2.77Å; K879-E953 PolarHBondContact NZ-OE2 3.28Å; L949-E953 PolarHBondContact O-N 2.99Å; E953-K955 PolarHBondContact O-N 3.35Å; E953-F956 WeakPolarHBondContact O-CB 3.17Å; E953-F956 PolarHBondContact O-N 3.26Å; E953-F956 VanDerWaalsContact O-N 3.1Å; E953-Q957 PolarHBondContact O-N 3.37Å
954	A	80.6	Confident	80.9	Confident	75 Å²	75	60.3 Å²	60.3	62%	0.62	31%	0.309	S	S	*	.	H	α-helix	trans	-64.9	-27.4	179.4	0	0	0	0	0	113.1
955	K	84.7	Confident	81.9	Confident	116 Å²	116	65.6 Å²	65.6	50%	0.504	33%	0.333	S	S	.	.	H	α-helix	trans	-73.8	-44.2	171.1	-72.7	176.3	177.2	-177.2	0	111.5	V951 A952 E953 S958 I959	V951-K955 HydrophobicContact CG1-CD 4.41Å; V951-K955 WeakPolarHBondContact O-CD 3.39Å; V951-K955 WeakPolarHBondContact O-CG 3.25Å; A952-K955 WeakPolarHBondContact O-CB 3.3Å; A952-K955 PolarHBondContact O-N 3.37Å; E953-K955 PolarHBondContact O-N 3.35Å; K955-S958 PolarHBondContact O-N 2.77Å; K955-I959 WeakPolarHBondContact O-CD1 3.48Å; K955-I959 WeakPolarHBondContact O-CG1 3.35Å; K955-I959 PolarHBondContact O-N 2.87Å
956	F	88.8	Confident	82.7	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-58.4	-48.4	179.4	171.1	-96.9	0	0	0	110.9	K879 F883 L930 A952 E953 S958 I959 R960	K879-F956 HydrophobicContact CB-CD2 4.24Å; K879-F956 HydrophobicContact CB-CE2 4.18Å; K879-F956 HydrophobicContact CD-CD1 3.65Å; K879-F956 HydrophobicContact CD-CD2 4.12Å; K879-F956 HydrophobicContact CD-CE1 3.69Å; K879-F956 HydrophobicContact CD-CE2 4.16Å; K879-F956 HydrophobicContact CD-CG 3.88Å; K879-F956 HydrophobicContact CD-CZ 3.96Å; K879-F956 VanDerWaalsContact CE-CE1 3.45Å; K879-F956 HydrophobicContact CG-CD1 4.29Å; K879-F956 HydrophobicContact CG-CD2 4.04Å; K879-F956 HydrophobicContact CG-CE1 4Å; K879-F956 HydrophobicContact CG-CE2 3.73Å; K879-F956 HydrophobicContact CG-CG 4.32Å; K879-F956 HydrophobicContact CG-CZ 3.71Å; F883-F956 HydrophobicContact CB-CE2 4Å; F883-F956 HydrophobicContact CB-CZ 3.86Å; F883-F956 HydrophobicContact CG-CE2 4.38Å; F883-F956 HydrophobicContact CG-CZ 4.11Å; L930-F956 HydrophobicContact CD1-CE1 4.48Å; L930-F956 HydrophobicContact CD1-CZ 4.02Å; L930-F956 HydrophobicContact CD2-CE1 4.16Å; L930-F956 HydrophobicContact CD2-CZ 3.93Å; A952-F956 WeakPolarHBondContact O-CB 3.27Å; A952-F956 PolarHBondContact O-N 2.72Å; E953-F956 WeakPolarHBondContact O-CB 3.17Å; E953-F956 PolarHBondContact O-N 3.26Å; E953-F956 VanDerWaalsContact O-N 3.1Å; F956-S958 VanDerWaalsContact C-N 3.33Å; F956-S958 PolarHBondContact O-N 2.65Å; F956-I959 CarbonylContact O-C 3.6Å; F956-I959 WeakPolarHBondContact O-CA 3.3Å; F956-I959 WeakPolarHBondContact O-CB 3.23Å; F956-I959 PolarHBondContact O-N 3.42Å; F956-R960 HydrophobicContact CE1-CB 4.42Å; F956-R960 HydrophobicContact CZ-CB 4.45Å; F956-R960 WeakPolarHBondContact O-CB 3.49Å; F956-R960 PolarHBondContact O-N 3.36Å
957	Q	89.1	Confident	83.6	Confident	47 Å²	47	64.7 Å²	64.7	22%	0.22	32%	0.316	C	S	.	.	H	α-helix	trans	-59	-41.7	177.5	-177.3	58.5	29.1	0	0	112.3	A923 E953 I959 R960 E961	A923-Q957 PolarHBondContact O-NE2 2.74Å; A923-Q957 VanDerWaalsContact O-NE2 3.11Å; E953-Q957 PolarHBondContact O-N 3.37Å; Q957-I959 VanDerWaalsContact C-N 3.31Å; Q957-I959 PolarHBondContact O-N 3.31Å; Q957-R960 WeakPolarHBondContact O-CB 3.46Å; Q957-R960 PolarHBondContact O-N 2.86Å; Q957-R960 VanDerWaalsContact OE1-CD 3.29Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.39Å; Q957-E961 PolarHBondContact NE2-OE1 3.23Å; Q957-E961 WeakPolarHBondContact O-CB 3.45Å; Q957-E961 WeakPolarHBondContact O-CG 3.43Å; Q957-E961 PolarHBondContact O-N 3.33Å
958	S	89.1	Confident	84.7	Confident	46 Å²	46	62.6 Å²	62.6	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-69	-24.8	175.1	-170.8	0	0	0	0	113.9	K955 F956 K962	K955-S958 PolarHBondContact O-N 2.77Å; F956-S958 VanDerWaalsContact C-N 3.33Å; F956-S958 PolarHBondContact O-N 2.65Å; S958-K962 VanDerWaalsContact O-CD 3.24Å; S958-K962 WeakPolarHBondContact O-CD 3.41Å; S958-K962 WeakPolarHBondContact O-CE 3.3Å; S958-K962 WeakPolarHBondContact O-CG 3.38Å
959	I	90.6	Very high	86	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-76.2	-46.8	172.5	-70.3	160.5	0	0	0	109.7	L778 C780 L880 K955 F956 Q957 K962 I963	L778-I959 HydrophobicContact CD2-CG1 4.26Å; L778-I959 HydrophobicContact CD2-CG2 4.25Å; C780-I959 HydrophobicContact CB-CD1 4.41Å; L880-I959 HydrophobicContact CD1-CG2 4.08Å; K955-I959 WeakPolarHBondContact O-CD1 3.48Å; K955-I959 WeakPolarHBondContact O-CG1 3.35Å; K955-I959 PolarHBondContact O-N 2.87Å; F956-I959 CarbonylContact O-C 3.6Å; F956-I959 WeakPolarHBondContact O-CA 3.3Å; F956-I959 WeakPolarHBondContact O-CB 3.23Å; F956-I959 PolarHBondContact O-N 3.42Å; Q957-I959 VanDerWaalsContact C-N 3.31Å; Q957-I959 PolarHBondContact O-N 3.31Å; I959-K962 PolarHBondContact O-N 2.93Å; I959-I963 HydrophobicContact CG2-CD1 3.65Å; I959-I963 HydrophobicContact CG2-CG1 4.33Å; I959-I963 WeakPolarHBondContact O-CG1 3.37Å; I959-I963 PolarHBondContact O-N 2.92Å
960	R	92.8	Very high	86.9	Confident	16 Å²	16	58.1 Å²	58.1	6%	0.06	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-52.6	177	-175.8	-168.2	178	-160.4	-4.1	111.8	F883 L922 A923 D924 S925 F956 Q957 K962 I963 C964	F883-R960 HydrophobicContact CD1-CG 4.4Å; F883-R960 HydrophobicContact CD2-CG 4.04Å; F883-R960 HydrophobicContact CE1-CB 4.21Å; F883-R960 HydrophobicContact CE1-CG 3.97Å; F883-R960 HydrophobicContact CE2-CG 3.57Å; F883-R960 HydrophobicContact CG-CG 4.43Å; F883-R960 HydrophobicContact CZ-CB 4.22Å; F883-R960 HydrophobicContact CZ-CG 3.54Å; L922-R960 VanDerWaalsContact O-CZ 3.29Å; L922-R960 PolarHBondContact O-NE 2.97Å; L922-R960 PolarHBondContact O-NH2 3.46Å; A923-R960 PolarHBondContact O-NE 3.46Å; A923-R960 PolarHBondContact O-NH1 3.41Å; A923-R960 PolarHBondContact O-NH2 3.04Å; D924-R960 PolarHBondContact O-NH1 3.08Å; D924-R960 PolarHBondContact O-NH2 3.24Å; S925-R960 PolarHBondContact O-NH2 3.32Å; F956-R960 HydrophobicContact CE1-CB 4.42Å; F956-R960 HydrophobicContact CZ-CB 4.45Å; F956-R960 WeakPolarHBondContact O-CB 3.49Å; F956-R960 PolarHBondContact O-N 3.36Å; Q957-R960 WeakPolarHBondContact O-CB 3.46Å; Q957-R960 PolarHBondContact O-N 2.86Å; Q957-R960 VanDerWaalsContact OE1-CD 3.29Å; R960-K962 VanDerWaalsContact C-N 3.33Å; R960-K962 PolarHBondContact O-N 2.98Å; R960-I963 PolarHBondContact O-N 3.31Å; R960-C964 PolarHBondContact O-N 3.29Å
961	E	92	Very high	88.2	Confident	94 Å²	94	46.9 Å²	46.9	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-55.1	-45.2	175.5	-74.9	163.2	-167.3	0	0	112.4	Q957 C964 Q965	Q957-E961 WeakPolarHBondContact CG-OE1 3.39Å; Q957-E961 PolarHBondContact NE2-OE1 3.23Å; Q957-E961 WeakPolarHBondContact O-CB 3.45Å; Q957-E961 WeakPolarHBondContact O-CG 3.43Å; Q957-E961 PolarHBondContact O-N 3.33Å; E961-C964 PolarHBondContact O-N 2.63Å; E961-Q965 VanDerWaalsContact O-CB 3.26Å; E961-Q965 WeakPolarHBondContact O-CB 3.39Å; E961-Q965 PolarHBondContact O-N 3.29Å
962	K	91.2	Very high	89.2	Confident	91 Å²	91	44.2 Å²	44.2	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-42.6	178.5	-71.7	169.6	-166.5	170.6	0	112.4	L778 S958 I959 R960 Q965 K966	L778-K962 HydrophobicContact CD2-CB 4.32Å; L778-K962 HydrophobicContact CD2-CD 3.99Å; S958-K962 VanDerWaalsContact O-CD 3.24Å; S958-K962 WeakPolarHBondContact O-CD 3.41Å; S958-K962 WeakPolarHBondContact O-CE 3.3Å; S958-K962 WeakPolarHBondContact O-CG 3.38Å; I959-K962 PolarHBondContact O-N 2.93Å; R960-K962 VanDerWaalsContact C-N 3.33Å; R960-K962 PolarHBondContact O-N 2.98Å; K962-Q965 PolarHBondContact O-N 3.13Å; K962-K966 VanDerWaalsContact O-CB 3.26Å; K962-K966 WeakPolarHBondContact O-CB 3.27Å; K962-K966 WeakPolarHBondContact O-CG 3.28Å; K962-K966 PolarHBondContact O-N 3.33Å
963	I	93.2	Very high	89.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-47.8	177.4	-68.5	171.4	0	0	0	109.5	I773 L778 L880 F883 L884 V887 I959 R960 T967	I773-I963 HydrophobicContact CD1-CG1 4.27Å; I773-I963 HydrophobicContact CD1-CG2 4.48Å; L778-I963 HydrophobicContact CD1-CD1 4.24Å; L778-I963 HydrophobicContact CD1-CG1 3.53Å; L880-I963 HydrophobicContact CD1-CD1 3.9Å; F883-I963 HydrophobicContact CD1-CD1 4.35Å; F883-I963 HydrophobicContact CE1-CB 3.89Å; F883-I963 HydrophobicContact CE1-CD1 3.92Å; F883-I963 HydrophobicContact CE1-CG1 4.49Å; F883-I963 HydrophobicContact CE1-CG2 3.81Å; F883-I963 HydrophobicContact CZ-CB 4.42Å; F883-I963 HydrophobicContact CZ-CG2 4.25Å; L884-I963 HydrophobicContact CD2-CD1 4.42Å; V887-I963 HydrophobicContact CG2-CG2 4.32Å; I959-I963 HydrophobicContact CG2-CD1 3.65Å; I959-I963 HydrophobicContact CG2-CG1 4.33Å; I959-I963 WeakPolarHBondContact O-CG1 3.37Å; I959-I963 PolarHBondContact O-N 2.92Å; R960-I963 PolarHBondContact O-N 3.31Å; I963-T967 WeakPolarHBondContact O-CB 3.38Å; I963-T967 PolarHBondContact O-N 3.13Å; I963-T967 PolarHBondContact O-OG1 2.92Å
964	C	95	Very high	90.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-50.1	175.8	-71.1	0	0	0	0	112	I919 A923 R960 E961 K966 T967 Q968	I919-C964 HydrophobicContact CG2-CB 4.07Å; I919-C964 WeakPolarHBondContact CG2-O 3.31Å; I919-C964 WeakPolarHBondContact O-CB 3.3Å; I919-C964 PolarHBondContact O-SG 2.66Å; A923-C964 HydrophobicContact CB-CB 3.89Å; R960-C964 PolarHBondContact O-N 3.29Å; E961-C964 PolarHBondContact O-N 2.63Å; C964-K966 PolarHBondContact O-N 3.19Å; C964-T967 PolarHBondContact O-N 2.92Å; C964-Q968 VanDerWaalsContact O-CG 3.29Å; C964-Q968 WeakPolarHBondContact O-CG 3.38Å; C964-Q968 PolarHBondContact O-N 2.77Å; C964-Q968 PolarHBondContact O-NE2 2.71Å
965	Q	93.2	Very high	90.4	Very high	123 Å²	123	43.8 Å²	43.8	58%	0.575	22%	0.216	S	C	*	.	H	α-helix	trans	-60.6	-46.4	-179	-174	-176.4	44.3	0	0	112.1	E961 K962 Q968 V969	E961-Q965 VanDerWaalsContact O-CB 3.26Å; E961-Q965 WeakPolarHBondContact O-CB 3.39Å; E961-Q965 PolarHBondContact O-N 3.29Å; K962-Q965 PolarHBondContact O-N 3.13Å; Q965-Q968 PolarHBondContact O-N 3.28Å; Q965-V969 WeakPolarHBondContact O-CG2 3.29Å; Q965-V969 PolarHBondContact O-N 3.49Å; Q965-V969 VanDerWaalsContact O-N 3.09Å
966	K	90.9	Very high	90.5	Very high	66 Å²	66	39.7 Å²	39.7	29%	0.287	20%	0.2	S	C	.	.	H	α-helix	trans	-65.9	-41.6	178.6	-71.7	-81.7	176.8	155.3	0	111.6	I773 E777 K962 C964 V969 I970	I773-K966 HydrophobicContact CG2-CB 3.49Å; I773-K966 VanDerWaalsContact CG2-CB 3.49Å; I773-K966 HydrophobicContact CG2-CG 4.03Å; E777-K966 IonicContact OE1-NZ 2.71Å; E777-K966 PolarHBondContact OE1-NZ 2.83Å; E777-K966 WeakPolarHBondContact OE2-CE 3.34Å; E777-K966 IonicContact OE2-NZ 3.18Å; E777-K966 PolarHBondContact OE2-NZ 3.44Å; K962-K966 VanDerWaalsContact O-CB 3.26Å; K962-K966 WeakPolarHBondContact O-CB 3.27Å; K962-K966 WeakPolarHBondContact O-CG 3.28Å; K962-K966 PolarHBondContact O-N 3.33Å; C964-K966 PolarHBondContact O-N 3.19Å; K966-V969 PolarHBondContact O-N 3.48Å; K966-I970 WeakPolarHBondContact O-CD1 3.34Å; K966-I970 VanDerWaalsContact O-CG1 3.24Å; K966-I970 WeakPolarHBondContact O-CG1 3.32Å; K966-I970 PolarHBondContact O-N 2.83Å
967	T	92.8	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-47.1	176.5	-60.8	0	0	0	0	111.5	I769 L891 I919 I963 C964 V969 I970 L971	I769-T967 HydrophobicContact CD1-CG2 3.91Å; I769-T967 WeakPolarHBondContact CG2-OG1 3.23Å; L891-T967 HydrophobicContact CD1-CG2 4.41Å; L891-T967 HydrophobicContact CD2-CG2 4.27Å; I919-T967 HydrophobicContact CB-CG2 4.44Å; I919-T967 HydrophobicContact CD1-CG2 4.03Å; I919-T967 HydrophobicContact CG1-CG2 3.89Å; I919-T967 HydrophobicContact CG2-CG2 3.79Å; I963-T967 WeakPolarHBondContact O-CB 3.38Å; I963-T967 PolarHBondContact O-N 3.13Å; I963-T967 PolarHBondContact O-OG1 2.92Å; C964-T967 PolarHBondContact O-N 2.92Å; T967-V969 VanDerWaalsContact C-N 3.34Å; T967-V969 PolarHBondContact O-N 3.28Å; T967-I970 PolarHBondContact O-N 3.33Å; T967-L971 HydrophobicContact CG2-CD1 4.13Å; T967-L971 HydrophobicContact CG2-CG 4.45Å; T967-L971 WeakPolarHBondContact O-CG 3.49Å; T967-L971 PolarHBondContact O-N 3.48Å
968	Q	93.9	Very high	90.2	Very high	45 Å²	45	46.5 Å²	46.5	21%	0.21	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-45.4	174.9	-70	168.2	51.6	0	0	111.9	I916 I919 S920 C964 Q965 L971 A972	I916-Q968 HydrophobicContact CG2-CB 4.3Å; I916-Q968 HydrophobicContact CG2-CG 4.1Å; I919-Q968 HydrophobicContact CB-CG 4.25Å; I919-Q968 HydrophobicContact CG2-CG 3.85Å; S920-Q968 VanDerWaalsContact CA-NE2 3.33Å; C964-Q968 VanDerWaalsContact O-CG 3.29Å; C964-Q968 WeakPolarHBondContact O-CG 3.38Å; C964-Q968 PolarHBondContact O-N 2.77Å; C964-Q968 PolarHBondContact O-NE2 2.71Å; Q965-Q968 PolarHBondContact O-N 3.28Å; Q968-L971 PolarHBondContact O-N 2.93Å; Q968-A972 WeakPolarHBondContact O-CB 3.39Å; Q968-A972 PolarHBondContact O-N 3.07Å
969	V	91.5	Very high	90.2	Very high	66 Å²	66	44.3 Å²	44.3	40%	0.4	22%	0.222	S	C	.	.	H	α-helix	trans	-62.8	-42.2	178	169.4	0	0	0	0	111.8	Q965 K966 T967 A972 Q973	Q965-V969 WeakPolarHBondContact O-CG2 3.29Å; Q965-V969 PolarHBondContact O-N 3.49Å; Q965-V969 VanDerWaalsContact O-N 3.09Å; K966-V969 PolarHBondContact O-N 3.48Å; T967-V969 VanDerWaalsContact C-N 3.34Å; T967-V969 PolarHBondContact O-N 3.28Å; V969-A972 PolarHBondContact O-N 3.4Å; V969-Q973 HydrophobicContact CG1-CG 4.37Å; V969-Q973 VanDerWaalsContact O-CB 3.29Å; V969-Q973 WeakPolarHBondContact O-CB 3.48Å; V969-Q973 WeakPolarHBondContact O-CG 3.44Å; V969-Q973 PolarHBondContact O-N 3.27Å
970	I	88.9	Confident	90.2	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.062	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-42	179.5	-66.9	161	0	0	0	111.1	I769 A772 I773 K966 T967 Q973 R974	I769-I970 HydrophobicContact CB-CD1 4.47Å; I769-I970 HydrophobicContact CG1-CB 4.25Å; I769-I970 HydrophobicContact CG1-CD1 4.14Å; I769-I970 HydrophobicContact CG1-CG2 3.83Å; A772-I970 HydrophobicContact CB-CD1 3.63Å; A772-I970 HydrophobicContact CB-CG1 4.49Å; I773-I970 HydrophobicContact CG2-CD1 4.4Å; K966-I970 WeakPolarHBondContact O-CD1 3.34Å; K966-I970 VanDerWaalsContact O-CG1 3.24Å; K966-I970 WeakPolarHBondContact O-CG1 3.32Å; K966-I970 PolarHBondContact O-N 2.83Å; T967-I970 PolarHBondContact O-N 3.33Å; I970-Q973 PolarHBondContact O-N 2.96Å; I970-R974 PolarHBondContact O-N 3.46Å
971	L	90.3	Very high	90.1	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-47.3	174.2	-71.5	176.2	0	0	0	111.4	M761 L891 L894 I916 I919 T967 Q968 Q973 R974	M761-L971 HydrophobicContact CE-CD2 3.62Å; L891-L971 HydrophobicContact CD2-CD1 4.09Å; L891-L971 HydrophobicContact CD2-CD2 3.91Å; L891-L971 HydrophobicContact CD2-CG 4.36Å; L894-L971 HydrophobicContact CD2-CD2 4.03Å; I916-L971 HydrophobicContact CD1-CB 4.01Å; I916-L971 HydrophobicContact CG1-CB 3.73Å; I916-L971 HydrophobicContact CG1-CD1 3.99Å; I919-L971 HydrophobicContact CG1-CD1 4.36Å; T967-L971 HydrophobicContact CG2-CD1 4.13Å; T967-L971 HydrophobicContact CG2-CG 4.45Å; T967-L971 WeakPolarHBondContact O-CG 3.49Å; T967-L971 PolarHBondContact O-N 3.48Å; Q968-L971 PolarHBondContact O-N 2.93Å; L971-Q973 VanDerWaalsContact C-N 3.32Å; L971-Q973 PolarHBondContact O-N 3.36Å; L971-R974 PolarHBondContact O-N 3.31Å
972	A	89.9	Confident	90.1	Very high	40 Å²	40	45.8 Å²	45.8	33%	0.331	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-38.6	175.7	0	0	0	0	0	112.3	I916 Q968 V969 R974 F975	I916-A972 HydrophobicContact CD1-CB 4.14Å; Q968-A972 WeakPolarHBondContact O-CB 3.39Å; Q968-A972 PolarHBondContact O-N 3.07Å; V969-A972 PolarHBondContact O-N 3.4Å; A972-R974 VanDerWaalsContact C-N 3.3Å; A972-R974 PolarHBondContact O-N 2.84Å; A972-F975 PolarHBondContact O-N 3.37Å
973	Q	87.5	Confident	90.1	Very high	118 Å²	118	41.4 Å²	41.4	55%	0.551	21%	0.21	S	C	*	.	H	α-helix	trans	-72.5	-15.1	177.3	-75.7	176.2	3	0	0	114.3	V969 I970 L971 F975	V969-Q973 HydrophobicContact CG1-CG 4.37Å; V969-Q973 VanDerWaalsContact O-CB 3.29Å; V969-Q973 WeakPolarHBondContact O-CB 3.48Å; V969-Q973 WeakPolarHBondContact O-CG 3.44Å; V969-Q973 PolarHBondContact O-N 3.27Å; I970-Q973 PolarHBondContact O-N 2.96Å; L971-Q973 VanDerWaalsContact C-N 3.32Å; L971-Q973 PolarHBondContact O-N 3.36Å; Q973-F975 PolarHBondContact O-N 3.36Å
974	R	86	Confident	90	Very high	6 Å²	6	46 Å²	46	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-68.4	-23.8	169.8	-76.4	-148	172.3	-159.4	2.9	112.4	D732 P759 F760 E768 I970 L971 A972	D732-R974 IonicContact OD1-CZ 3.23Å; D732-R974 IonicContact OD1-NH1 3.2Å; D732-R974 PolarHBondContact OD1-NH1 3Å; D732-R974 IonicContact OD1-NH2 3.42Å; D732-R974 PolarHBondContact OD1-NH2 3.2Å; P759-R974 HydrophobicContact CB-CB 4.25Å; F760-R974 PolarHBondContact O-NH1 3.39Å; E768-R974 IonicContact OE2-CZ 3.38Å; E768-R974 IonicContact OE2-NE 3.31Å; E768-R974 PolarHBondContact OE2-NE 3.02Å; E768-R974 IonicContact OE2-NH2 3.29Å; E768-R974 PolarHBondContact OE2-NH2 2.98Å; I970-R974 PolarHBondContact O-N 3.46Å; L971-R974 PolarHBondContact O-N 3.31Å; A972-R974 VanDerWaalsContact C-N 3.3Å; A972-R974 PolarHBondContact O-N 2.84Å
975	F	87.5	Confident	89.8	Confident	11 Å²	11	46 Å²	46	5%	0.048	23%	0.23	C	C	.	.	S	Bend	trans	-99	112.3	178.4	-147.5	155.3	0	0	0	111.3	P759 V908 D909 I912 A972 Q973 S977 R980 V983	P759-F975 HydrophobicContact CG-CB 4.3Å; P759-F975 HydrophobicContact CG-CD1 3.82Å; P759-F975 HydrophobicContact CG-CD2 4.15Å; P759-F975 HydrophobicContact CG-CE1 4.05Å; P759-F975 HydrophobicContact CG-CE2 4.35Å; P759-F975 HydrophobicContact CG-CG 3.85Å; P759-F975 HydrophobicContact CG-CZ 4.3Å; V908-F975 HydrophobicContact CG1-CE1 4.02Å; V908-F975 HydrophobicContact CG1-CZ 4.19Å; D909-F975 HydrophobicContact CB-CE1 3.87Å; D909-F975 WeakPolarHBondContact OD1-CD1 3.34Å; D909-F975 WeakPolarHBondContact OD1-CE1 3.42Å; I912-F975 HydrophobicContact CD1-CD1 4.3Å; A972-F975 PolarHBondContact O-N 3.37Å; Q973-F975 PolarHBondContact O-N 3.36Å; F975-S977 PolarHBondContact O-N 2.79Å; F975-R980 HydrophobicContact CD1-CB 4.29Å; F975-R980 HydrophobicContact CD1-CG 4.04Å; F975-R980 HydrophobicContact CD2-CB 3.86Å; F975-R980 HydrophobicContact CD2-CG 4.5Å; F975-R980 HydrophobicContact CE1-CB 4.41Å; F975-R980 HydrophobicContact CE1-CG 4.16Å; F975-R980 HydrophobicContact CE2-CB 4.01Å; F975-R980 HydrophobicContact CG-CB 4.05Å; F975-R980 HydrophobicContact CG-CG 4.24Å; F975-R980 HydrophobicContact CZ-CB 4.28Å; F975-R980 HydrophobicContact CZ-CG 4.46Å; F975-V983 HydrophobicContact CE1-CG1 4.29Å; F975-V983 HydrophobicContact CE2-CG2 4.35Å; F975-V983 HydrophobicContact CZ-CB 3.74Å; F975-V983 HydrophobicContact CZ-CG1 3.89Å; F975-V983 HydrophobicContact CZ-CG2 3.78Å
976	D	85.3	Confident	89.7	Confident	31 Å²	31	40.2 Å²	40.2	17%	0.166	20%	0.204	C	C	.	.			trans	-59.3	130.4	169.1	165.2	79.1	0	0	0	111.8	R749 C757 R978 S979 R980	R749-D976 IonicContact CZ-OD1 3.75Å; R749-D976 IonicContact CZ-OD2 3.77Å; R749-D976 IonicContact NH1-OD1 3.51Å; R749-D976 PolarHBondContact NH1-OD1 3.38Å; R749-D976 IonicContact NH1-OD2 2.71Å; R749-D976 PolarHBondContact NH1-OD2 2.8Å; R749-D976 VanDerWaalsContact NH1-OD2 3.17Å; R749-D976 IonicContact NH2-OD1 3.13Å; R749-D976 IonicContact NH2-OD2 3.55Å; R749-D976 PolarHBondContact NH2-OD2 3.33Å; C757-D976 HydrophobicContact CB-CB 4.25Å; D976-R978 PolarHBondContact O-N 3.01Å; D976-R978 PolarHBondContact OD2-N 3.48Å; D976-S979 PolarHBondContact O-N 2.92Å; D976-S979 VanDerWaalsContact O-N 3.14Å; D976-S979 WeakPolarHBondContact OD2-CB 3.33Å; D976-S979 PolarHBondContact OD2-N 3.35Å; D976-S979 PolarHBondContact OD2-OG 2.73Å; D976-R980 WeakPolarHBondContact O-CB 3.37Å; D976-R980 PolarHBondContact O-N 3Å
977	S	85.9	Confident	89.5	Confident	91 Å²	91	40 Å²	40	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-62.8	-34.7	-172.3	57.5	0	0	0	0	114.4	F975 R980 I981	F975-S977 PolarHBondContact O-N 2.79Å; S977-R980 PolarHBondContact O-N 2.86Å; S977-I981 WeakPolarHBondContact O-CG1 3.28Å; S977-I981 PolarHBondContact O-N 3.25Å; S977-I981 VanDerWaalsContact O-N 3.14Å
978	R	85.6	Confident	89.3	Confident	100 Å²	100	40.1 Å²	40.1	38%	0.377	20%	0.204	S	C	.	.	H	α-helix	trans	-70.3	-38.6	176.6	-179.4	177.1	172.2	-150.3	-3.6	111.6	P753 D976 F982	P753-R978 VanDerWaalsContact O-CZ 3.29Å; P753-R978 PolarHBondContact O-NH1 3.34Å; P753-R978 PolarHBondContact O-NH2 3.35Å; D976-R978 PolarHBondContact O-N 3.01Å; D976-R978 PolarHBondContact OD2-N 3.48Å; R978-F982 PolarHBondContact O-N 2.89Å
979	S	90.7	Very high	88.9	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-72	-33.2	175.3	-48.7	0	0	0	0	111.1	R749 C757 D976 F982 V983	R749-S979 PolarHBondContact NH2-OG 3.19Å; C757-S979 PolarHBondContact N-OG 2.88Å; C757-S979 VanDerWaalsContact O-CB 3.31Å; C757-S979 WeakPolarHBondContact O-CB 3.45Å; C757-S979 PolarHBondContact O-OG 3.03Å; D976-S979 PolarHBondContact O-N 2.92Å; D976-S979 VanDerWaalsContact O-N 3.14Å; D976-S979 WeakPolarHBondContact OD2-CB 3.33Å; D976-S979 PolarHBondContact OD2-N 3.35Å; D976-S979 PolarHBondContact OD2-OG 2.73Å; S979-F982 PolarHBondContact O-N 3.3Å; S979-V983 WeakPolarHBondContact O-CB 3.46Å; S979-V983 WeakPolarHBondContact O-CG2 3.2Å; S979-V983 PolarHBondContact O-N 3.46Å
980	R	90.3	Very high	88.4	Confident	54 Å²	54	36.9 Å²	36.9	20%	0.204	19%	0.186	C	C	.	.	H	α-helix	trans	-61.5	-41.3	173.7	-167.4	171.8	-174.8	173.6	5.7	112.2	D909 E913 F975 D976 S977 V983 K984	D909-R980 VanDerWaalsContact CG-NH2 3.3Å; D909-R980 WeakPolarHBondContact OD1-CD 3.48Å; D909-R980 WeakPolarHBondContact OD1-CG 3.36Å; D909-R980 IonicContact OD1-CZ 3.77Å; D909-R980 IonicContact OD1-NE 3.65Å; D909-R980 PolarHBondContact OD1-NE 3.09Å; D909-R980 IonicContact OD1-NH2 2.84Å; D909-R980 PolarHBondContact OD1-NH2 3.17Å; D909-R980 IonicContact OD2-CZ 3.68Å; D909-R980 VanDerWaalsContact OD2-CZ 3.3Å; D909-R980 IonicContact OD2-NE 3.88Å; D909-R980 PolarHBondContact OD2-NE 3.37Å; D909-R980 IonicContact OD2-NH2 2.66Å; D909-R980 PolarHBondContact OD2-NH2 3.05Å; E913-R980 IonicContact OE2-CZ 2.72Å; E913-R980 IonicContact OE2-NH1 2.69Å; E913-R980 PolarHBondContact OE2-NH1 3.4Å; E913-R980 IonicContact OE2-NH2 2.85Å; E913-R980 PolarHBondContact OE2-NH2 2.97Å; F975-R980 HydrophobicContact CD1-CB 4.29Å; F975-R980 HydrophobicContact CD1-CG 4.04Å; F975-R980 HydrophobicContact CD2-CB 3.86Å; F975-R980 HydrophobicContact CD2-CG 4.5Å; F975-R980 HydrophobicContact CE1-CB 4.41Å; F975-R980 HydrophobicContact CE1-CG 4.16Å; F975-R980 HydrophobicContact CE2-CB 4.01Å; F975-R980 HydrophobicContact CG-CB 4.05Å; F975-R980 HydrophobicContact CG-CG 4.24Å; F975-R980 HydrophobicContact CZ-CB 4.28Å; F975-R980 HydrophobicContact CZ-CG 4.46Å; D976-R980 WeakPolarHBondContact O-CB 3.37Å; D976-R980 PolarHBondContact O-N 3Å; S977-R980 PolarHBondContact O-N 2.86Å; R980-V983 PolarHBondContact O-N 3.05Å; R980-K984 WeakPolarHBondContact O-CG 3.36Å; R980-K984 PolarHBondContact O-N 3.2Å
981	I	90.5	Very high	88	Confident	97 Å²	97	37.8 Å²	37.8	50%	0.497	19%	0.191	S	C	.	.	H	α-helix	trans	-60.5	-49.9	174.2	-67.2	162.5	0	0	0	110.9	S977 V983 K984 A985	S977-I981 WeakPolarHBondContact O-CG1 3.28Å; S977-I981 PolarHBondContact O-N 3.25Å; S977-I981 VanDerWaalsContact O-N 3.14Å; I981-V983 VanDerWaalsContact C-N 3.31Å; I981-V983 PolarHBondContact O-N 2.79Å; I981-K984 PolarHBondContact O-N 3.48Å; I981-A985 PolarHBondContact O-N 3.18Å
982	F	92	Very high	87.4	Confident	6 Å²	6	42.1 Å²	42.1	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-59.3	-42	178.1	179.3	-88.9	0	0	0	112.2	L756 R978 S979 A985 C986 I1012 H1015 L1078 L1081	L756-F982 HydrophobicContact CD1-CD1 3.59Å; L756-F982 HydrophobicContact CD1-CD2 4.44Å; L756-F982 HydrophobicContact CD1-CE1 3.54Å; L756-F982 HydrophobicContact CD1-CE2 4.38Å; L756-F982 HydrophobicContact CD1-CG 4.06Å; L756-F982 HydrophobicContact CD1-CZ 3.96Å; L756-F982 HydrophobicContact CD2-CB 3.81Å; L756-F982 HydrophobicContact CD2-CD1 3.96Å; L756-F982 HydrophobicContact CD2-CG 3.83Å; L756-F982 HydrophobicContact CG-CD1 4.45Å; R978-F982 PolarHBondContact O-N 2.89Å; S979-F982 PolarHBondContact O-N 3.3Å; F982-A985 PolarHBondContact O-N 3.16Å; F982-C986 PolarHBondContact O-N 2.71Å; F982-C986 VanDerWaalsContact O-N 3.09Å; F982-C986 PolarHBondContact O-SG 3.19Å; F982-I1012 HydrophobicContact CE2-CB 4.34Å; F982-I1012 HydrophobicContact CE2-CG1 4.31Å; F982-I1012 HydrophobicContact CE2-CG2 4.03Å; F982-I1012 HydrophobicContact CZ-CG2 4.41Å; F982-H1015 HydrophobicContact CD2-CB 3.67Å; F982-H1015 AromaticContact CD2-CD2 3.76Å; F982-H1015 AromaticContact CD2-CG 3.57Å; F982-H1015 HydrophobicContact CE2-CB 4.01Å; F982-H1015 AromaticContact CE2-CD2 3.73Å; F982-H1015 AromaticContact CE2-CG 3.95Å; F982-L1078 HydrophobicContact CE1-CD2 3.62Å; F982-L1078 HydrophobicContact CZ-CD2 3.78Å; F982-L1081 HydrophobicContact CE1-CD1 3.91Å
983	V	91.4	Very high	86.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-38.9	178.8	163.7	0	0	0	0	112.5	V905 V908 D909 F975 S979 R980 I981 C986	V905-V983 HydrophobicContact CG1-CG2 3.8Å; V905-V983 WeakPolarHBondContact O-CG1 3.29Å; V908-V983 HydrophobicContact CB-CG1 4.39Å; D909-V983 HydrophobicContact CB-CG1 4.04Å; F975-V983 HydrophobicContact CE1-CG1 4.29Å; F975-V983 HydrophobicContact CE2-CG2 4.35Å; F975-V983 HydrophobicContact CZ-CB 3.74Å; F975-V983 HydrophobicContact CZ-CG1 3.89Å; F975-V983 HydrophobicContact CZ-CG2 3.78Å; S979-V983 WeakPolarHBondContact O-CB 3.46Å; S979-V983 WeakPolarHBondContact O-CG2 3.2Å; S979-V983 PolarHBondContact O-N 3.46Å; R980-V983 PolarHBondContact O-N 3.05Å; I981-V983 VanDerWaalsContact C-N 3.31Å; I981-V983 PolarHBondContact O-N 2.79Å; V983-C986 VanDerWaalsContact O-CB 3.29Å; V983-C986 WeakPolarHBondContact O-CB 3.22Å; V983-C986 PolarHBondContact O-N 3.23Å; V983-C986 VanDerWaalsContact O-N 3.08Å
984	K	90.1	Very high	86.8	Confident	96 Å²	96	38.6 Å²	38.6	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-61.5	-44.7	171.7	-74.9	-166.4	175.3	-162.1	0	111.9	D909 R980 I981 C986 Q987	D909-K984 WeakPolarHBondContact OD2-CE 3.39Å; D909-K984 IonicContact OD2-NZ 3.71Å; R980-K984 WeakPolarHBondContact O-CG 3.36Å; R980-K984 PolarHBondContact O-N 3.2Å; I981-K984 PolarHBondContact O-N 3.48Å; K984-C986 PolarHBondContact O-N 3Å; K984-Q987 VanDerWaalsContact O-CB 3.23Å; K984-Q987 WeakPolarHBondContact O-CB 3.44Å; K984-Q987 WeakPolarHBondContact O-CG 2.74Å; K984-Q987 PolarHBondContact O-N 2.67Å
985	A	91.4	Very high	86.7	Confident	1 Å²	1	40 Å²	40	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-30.6	173.9	0	0	0	0	0	112.3	I981 F982 Q987 V988 D1008 Q1011 I1012	I981-A985 PolarHBondContact O-N 3.18Å; F982-A985 PolarHBondContact O-N 3.16Å; A985-Q987 PolarHBondContact O-N 2.9Å; A985-V988 VanDerWaalsContact O-CB 3.27Å; A985-V988 WeakPolarHBondContact O-CB 3.37Å; A985-V988 WeakPolarHBondContact O-CG1 3.14Å; A985-V988 PolarHBondContact O-N 2.94Å; A985-D1008 HydrophobicContact CB-CB 4.05Å; A985-Q1011 HydrophobicContact CB-CB 4.19Å; A985-I1012 HydrophobicContact CB-CD1 4.15Å; A985-I1012 HydrophobicContact CB-CG1 3.86Å
986	C	91.1	Very high	86.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-67.3	-13.9	175	-63.8	0	0	0	0	114.6	V905 F982 V983 K984 V988 F989 L1078	V905-C986 HydrophobicContact CG1-CB 4.25Å; F982-C986 PolarHBondContact O-N 2.71Å; F982-C986 VanDerWaalsContact O-N 3.09Å; F982-C986 PolarHBondContact O-SG 3.19Å; V983-C986 VanDerWaalsContact O-CB 3.29Å; V983-C986 WeakPolarHBondContact O-CB 3.22Å; V983-C986 PolarHBondContact O-N 3.23Å; V983-C986 VanDerWaalsContact O-N 3.08Å; K984-C986 PolarHBondContact O-N 3Å; C986-V988 PolarHBondContact O-N 3.29Å; C986-V988 VanDerWaalsContact O-N 3.15Å; C986-F989 PolarHBondContact O-N 3.01Å; C986-L1078 WeakPolarHBondContact SG-CD2 3.43Å
987	Q	87.6	Confident	86.3	Confident	60 Å²	60	51.5 Å²	51.5	28%	0.28	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.3	-17.5	171.1	-64.8	176.3	-43.3	0	0	112.2	D910 K984 A985 F989 D990	D910-Q987 PolarHBondContact OD1-NE2 3.28Å; D910-Q987 PolarHBondContact OD2-NE2 3.47Å; K984-Q987 VanDerWaalsContact O-CB 3.23Å; K984-Q987 WeakPolarHBondContact O-CB 3.44Å; K984-Q987 WeakPolarHBondContact O-CG 2.74Å; K984-Q987 PolarHBondContact O-N 2.67Å; A985-Q987 PolarHBondContact O-N 2.9Å; Q987-F989 PolarHBondContact O-N 3.44Å; Q987-F989 VanDerWaalsContact O-N 3.13Å; Q987-D990 WeakPolarHBondContact O-CB 3.15Å; Q987-D990 PolarHBondContact O-N 2.94Å
988	V	88.2	Confident	85.9	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-55	-26.8	171.7	76.1	0	0	0	0	114.3	A985 C986 W994 F1004 D1008 M1009 I1012 W1041	A985-V988 VanDerWaalsContact O-CB 3.27Å; A985-V988 WeakPolarHBondContact O-CB 3.37Å; A985-V988 WeakPolarHBondContact O-CG1 3.14Å; A985-V988 PolarHBondContact O-N 2.94Å; C986-V988 PolarHBondContact O-N 3.29Å; C986-V988 VanDerWaalsContact O-N 3.15Å; V988-W994 PolarHBondContact O-NE1 3.2Å; V988-F1004 HydrophobicContact CG2-CE1 4.24Å; V988-D1008 HydrophobicContact CB-CB 3.95Å; V988-D1008 HydrophobicContact CG1-CB 4.43Å; V988-D1008 HydrophobicContact CG2-CB 4.19Å; V988-M1009 HydrophobicContact CG1-CG 4.4Å; V988-M1009 HydrophobicContact CG1-SD 3.73Å; V988-M1009 HydrophobicContact CG2-CG 4.22Å; V988-M1009 HydrophobicContact CG2-SD 4.48Å; V988-I1012 HydrophobicContact CG1-CD1 3.92Å; V988-W1041 HydrophobicContact CG2-CH2 4.03Å; V988-W1041 HydrophobicContact CG2-CZ2 3.49Å; V988-W1041 VanDerWaalsContact CG2-CZ2 3.49Å; V988-W1041 WeakPolarHBondContact O-CH2 3.35Å
989	F	85.4	Confident	85.7	Confident	1 Å²	1	54 Å²	54	0%	0.004	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-87.7	-6.5	177.5	-62.8	-69.2	0	0	0	113.7	C986 Q987 L991 M1009 I1012 W1041 F1054 L1057 I1074 I1075 L1078	C986-F989 PolarHBondContact O-N 3.01Å; Q987-F989 PolarHBondContact O-N 3.44Å; Q987-F989 VanDerWaalsContact O-N 3.13Å; F989-L991 PolarHBondContact O-N 3.36Å; F989-M1009 HydrophobicContact CE1-CE 4.47Å; F989-M1009 HydrophobicContact CE1-SD 4.05Å; F989-M1009 HydrophobicContact CE2-SD 4.25Å; F989-M1009 HydrophobicContact CZ-CE 4.01Å; F989-M1009 HydrophobicContact CZ-SD 3.6Å; F989-I1012 HydrophobicContact CE2-CD1 3.91Å; F989-W1041 HydrophobicContact CD1-CH2 4.25Å; F989-W1041 AromaticContact CD1-CZ3 3.93Å; F989-W1041 HydrophobicContact CD1-CZ3 3.93Å; F989-W1041 HydrophobicContact CE1-CE3 4.47Å; F989-W1041 HydrophobicContact CE1-CH2 4.46Å; F989-W1041 AromaticContact CE1-CZ3 3.81Å; F989-W1041 HydrophobicContact CE1-CZ3 3.81Å; F989-F1054 HydrophobicContact CB-CD2 3.9Å; F989-F1054 HydrophobicContact CB-CE2 3.53Å; F989-F1054 HydrophobicContact CG-CE2 4.4Å; F989-F1054 WeakPolarHBondContact O-CD2 3.34Å; F989-L1057 HydrophobicContact CB-CD2 4.45Å; F989-L1057 HydrophobicContact CD1-CD2 4.14Å; F989-I1074 HydrophobicContact CE2-CG2 4.16Å; F989-I1074 HydrophobicContact CZ-CG2 3.92Å; F989-I1075 HydrophobicContact CD1-CD1 4.47Å; F989-I1075 HydrophobicContact CE1-CD1 4.09Å; F989-I1075 HydrophobicContact CZ-CD1 4.18Å; F989-L1078 HydrophobicContact CD2-CD1 3.88Å; F989-L1078 HydrophobicContact CE2-CD1 3.6Å; F989-L1078 HydrophobicContact CZ-CD1 4.38Å
990	D	80.8	Confident	85.3	Confident	43 Å²	43	59.5 Å²	59.5	23%	0.23	31%	0.308	C	S	.	.			trans	-79.4	112.2	174	-162.2	-27.5	0	0	0	110.2	Q987 A992 A993	Q987-D990 WeakPolarHBondContact O-CB 3.15Å; Q987-D990 PolarHBondContact O-N 2.94Å; D990-A992 PolarHBondContact O-N 3.44Å; D990-A992 VanDerWaalsContact OD1-CB 3.29Å; D990-A992 WeakPolarHBondContact OD1-CB 3.46Å; D990-A992 PolarHBondContact OD1-N 2.99Å; D990-A993 WeakPolarHBondContact O-CB 3.49Å; D990-A993 PolarHBondContact O-N 3.41Å
991	L	79.7	Confident	85	Confident	31 Å²	31	57.1 Å²	57.1	16%	0.162	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.8	-18.3	179.4	-57.1	-178.1	0	0	0	112.5	F989 A993 W994 Y1048 L1057	F989-L991 PolarHBondContact O-N 3.36Å; L991-A993 VanDerWaalsContact C-N 3.26Å; L991-A993 PolarHBondContact O-N 3.47Å; L991-W994 HydrophobicContact CD2-CD2 3.55Å; L991-W994 HydrophobicContact CD2-CE3 3.74Å; L991-W994 HydrophobicContact CD2-CG 4.22Å; L991-W994 HydrophobicContact CD2-CH2 3.64Å; L991-W994 HydrophobicContact CD2-CZ2 3.43Å; L991-W994 VanDerWaalsContact CD2-CZ2 3.43Å; L991-W994 HydrophobicContact CD2-CZ3 3.79Å; L991-W994 PolarHBondContact O-N 3.36Å; L991-Y1048 HydrophobicContact CD1-CD1 4.44Å; L991-L1057 HydrophobicContact CD2-CD1 4.39Å; L991-L1057 HydrophobicContact CD2-CD2 4.17Å
992	A	78.1	Confident	84.7	Confident	94 Å²	94	55.7 Å²	55.7	78%	0.777	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-69.9	-23	172.3	0	0	0	0	0	112.8	D990	D990-A992 PolarHBondContact O-N 3.44Å; D990-A992 VanDerWaalsContact OD1-CB 3.29Å; D990-A992 WeakPolarHBondContact OD1-CB 3.46Å; D990-A992 PolarHBondContact OD1-N 2.99Å
993	A	79.1	Confident	84.3	Confident	53 Å²	53	58.5 Å²	58.5	44%	0.438	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.5	-6	177	0	0	0	0	0	113.6	D990 L991 F1004	D990-A993 WeakPolarHBondContact O-CB 3.49Å; D990-A993 PolarHBondContact O-N 3.41Å; L991-A993 VanDerWaalsContact C-N 3.26Å; L991-A993 PolarHBondContact O-N 3.47Å; A993-F1004 HydrophobicContact CB-CZ 4.29Å; A993-F1004 WeakPolarHBondContact O-CZ 3.4Å
994	W	85.6	Confident	84.1	Confident	31 Å²	31	60.9 Å²	60.9	12%	0.117	32%	0.322	C	S	.	.	S	Bend	trans	-72.1	132.8	-175.9	-80.3	26.3	0	0	0	112.2	V988 L991 L1001 F1004 W1041 K1045 L1057	V988-W994 PolarHBondContact O-NE1 3.2Å; L991-W994 HydrophobicContact CD2-CD2 3.55Å; L991-W994 HydrophobicContact CD2-CE3 3.74Å; L991-W994 HydrophobicContact CD2-CG 4.22Å; L991-W994 HydrophobicContact CD2-CH2 3.64Å; L991-W994 HydrophobicContact CD2-CZ2 3.43Å; L991-W994 VanDerWaalsContact CD2-CZ2 3.43Å; L991-W994 HydrophobicContact CD2-CZ3 3.79Å; L991-W994 PolarHBondContact O-N 3.36Å; W994-L1001 HydrophobicContact CB-CD1 3.97Å; W994-L1001 HydrophobicContact CD2-CD1 3.76Å; W994-L1001 HydrophobicContact CE3-CD1 3.57Å; W994-L1001 HydrophobicContact CE3-CD2 4.32Å; W994-L1001 HydrophobicContact CG-CD1 3.97Å; W994-L1001 HydrophobicContact CZ3-CD1 4.33Å; W994-F1004 AromaticContact CD1-CD1 3.99Å; W994-F1004 AromaticContact CD1-CE1 3.45Å; W994-F1004 VanDerWaalsContact CD1-CE1 3.45Å; W994-F1004 HydrophobicContact CG-CD1 4.49Å; W994-F1004 HydrophobicContact CG-CE1 4.28Å; W994-F1004 AromaticContact NE1-CE1 3.81Å; W994-W1041 AromaticContact CZ2-CH2 3.57Å; W994-W1041 HydrophobicContact CZ2-CH2 3.57Å; W994-W1041 HydrophobicContact CZ2-CZ2 4.15Å; W994-W1041 HydrophobicContact CZ2-CZ3 4.26Å; W994-K1045 HydrophobicContact CH2-CB 4.47Å; W994-K1045 HydrophobicContact CH2-CG 3.66Å; W994-K1045 HydrophobicContact CZ2-CG 4.05Å; W994-K1045 HydrophobicContact CZ3-CB 4.47Å; W994-K1045 HydrophobicContact CZ3-CG 3.99Å; W994-L1057 HydrophobicContact CH2-CD1 4.13Å; W994-L1057 HydrophobicContact CZ2-CD1 4.48Å; W994-L1057 HydrophobicContact CZ2-CD2 4.39Å
995	P	85	Confident	84	Confident	34 Å²	34	56.6 Å²	56.6	22%	0.221	31%	0.305	C	S	.	.			trans	-60.9	141.9	177	-26.2	35.3	0	0	0	113.2	S997 E1000 F1004	P995-S997 VanDerWaalsContact C-N 3.35Å; P995-E1000 HydrophobicContact CB-CB 3.69Å; P995-E1000 HydrophobicContact CG-CB 4.13Å; P995-F1004 VanDerWaalsContact CD-CG 3.5Å; P995-F1004 HydrophobicContact CG-CB 4Å; P995-F1004 HydrophobicContact CG-CD2 3.7Å; P995-F1004 HydrophobicContact CG-CE2 4.41Å; P995-F1004 HydrophobicContact CG-CG 3.97Å
996	R	79.9	Confident	83.9	Confident	241 Å²	241	60.7 Å²	60.7	91%	0.909	32%	0.323	S	S	*	.	S	Bend	trans	-78.2	-15.3	179.1	-62.8	-175.4	-177.4	-171.4	0.2	114.1	Y1049	R996-Y1049 PolarHBondContact O-OH 2.91Å
997	S	83.1	Confident	83.8	Confident	44 Å²	44	68 Å²	68	31%	0.308	36%	0.357	S	S	.	.	S	Bend	trans	-92.6	139.3	175.1	86.9	0	0	0	0	110.5	P995 E999 E1000 L1001	P995-S997 VanDerWaalsContact C-N 3.35Å; S997-E999 VanDerWaalsContact C-N 3.26Å; S997-E999 PolarHBondContact O-N 2.98Å; S997-E1000 WeakPolarHBondContact CB-OE2 3.38Å; S997-E1000 VanDerWaalsContact OG-CB 3.28Å; S997-E1000 WeakPolarHBondContact OG-CB 3.27Å; S997-E1000 WeakPolarHBondContact OG-CG 3.34Å; S997-E1000 PolarHBondContact OG-N 3.12Å; S997-E1000 PolarHBondContact OG-OE2 2.91Å; S997-L1001 VanDerWaalsContact O-CB 3.25Å; S997-L1001 WeakPolarHBondContact O-CB 3.49Å; S997-L1001 PolarHBondContact O-N 3.29Å
998	S	79.3	Confident	84	Confident	69 Å²	69	67.5 Å²	67.5	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-28	-177.6	-173.8	0	0	0	0	113.1	M1002	S998-M1002 VanDerWaalsContact O-CG 3.24Å; S998-M1002 WeakPolarHBondContact O-CG 3.47Å; S998-M1002 PolarHBondContact O-N 3.43Å
999	E	80.3	Confident	84.2	Confident	174 Å²	174	67.4 Å²	67.4	81%	0.813	36%	0.355	S	S	*	.	H	α-helix	trans	-76.2	-46.1	-179.3	-63	-171.5	167.4	0	0	111.4	S997 M1002 S1003	S997-E999 VanDerWaalsContact C-N 3.26Å; S997-E999 PolarHBondContact O-N 2.98Å; E999-M1002 PolarHBondContact O-N 3.42Å; E999-S1003 PolarHBondContact O-N 3.11Å
1000	E	82.8	Confident	84.4	Confident	115 Å²	115	69.2 Å²	69.2	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-38.6	174.7	-63.6	164.9	142	0	0	111.2	P995 S997 M1002 S1003 F1004	P995-E1000 HydrophobicContact CB-CB 3.69Å; P995-E1000 HydrophobicContact CG-CB 4.13Å; S997-E1000 WeakPolarHBondContact CB-OE2 3.38Å; S997-E1000 VanDerWaalsContact OG-CB 3.28Å; S997-E1000 WeakPolarHBondContact OG-CB 3.27Å; S997-E1000 WeakPolarHBondContact OG-CG 3.34Å; S997-E1000 PolarHBondContact OG-N 3.12Å; S997-E1000 PolarHBondContact OG-OE2 2.91Å; E1000-M1002 VanDerWaalsContact C-N 3.26Å; E1000-M1002 PolarHBondContact O-N 3.19Å; E1000-S1003 PolarHBondContact O-N 3.14Å; E1000-S1003 VanDerWaalsContact O-N 3.13Å; E1000-S1003 PolarHBondContact O-OG 3.26Å; E1000-F1004 WeakPolarHBondContact O-CB 3.48Å; E1000-F1004 PolarHBondContact O-N 2.83Å
1001	L	84.1	Confident	84.9	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.026	37%	0.373	C	S	.	.	H	α-helix	trans	-59.9	-39.1	175.7	179.8	62	0	0	0	111.5	W994 S997 S1003 F1004 K1045 Y1049	W994-L1001 HydrophobicContact CB-CD1 3.97Å; W994-L1001 HydrophobicContact CD2-CD1 3.76Å; W994-L1001 HydrophobicContact CE3-CD1 3.57Å; W994-L1001 HydrophobicContact CE3-CD2 4.32Å; W994-L1001 HydrophobicContact CG-CD1 3.97Å; W994-L1001 HydrophobicContact CZ3-CD1 4.33Å; S997-L1001 VanDerWaalsContact O-CB 3.25Å; S997-L1001 WeakPolarHBondContact O-CB 3.49Å; S997-L1001 PolarHBondContact O-N 3.29Å; L1001-S1003 VanDerWaalsContact C-N 3.32Å; L1001-S1003 PolarHBondContact O-N 3.43Å; L1001-F1004 WeakPolarHBondContact O-CB 3.24Å; L1001-F1004 PolarHBondContact O-N 3.4Å; L1001-K1045 HydrophobicContact CD1-CD 4.03Å; L1001-K1045 HydrophobicContact CG-CD 4.35Å; L1001-K1045 WeakPolarHBondContact O-CD 3.37Å; L1001-K1045 WeakPolarHBondContact O-CE 3.41Å; L1001-K1045 PolarHBondContact O-NZ 3.03Å; L1001-Y1049 HydrophobicContact CD2-CD2 3.58Å; L1001-Y1049 HydrophobicContact CD2-CE2 3.97Å
1002	M	83.6	Confident	85.4	Confident	67 Å²	67	69.3 Å²	69.3	33%	0.33	37%	0.365	S	S	.	.	H	α-helix	trans	-71	-25.6	178.5	-73.1	-64.7	-115.3	0	0	113.1	S998 E999 E1000 K1006 R1042 K1045 A1046	S998-M1002 VanDerWaalsContact O-CG 3.24Å; S998-M1002 WeakPolarHBondContact O-CG 3.47Å; S998-M1002 PolarHBondContact O-N 3.43Å; E999-M1002 PolarHBondContact O-N 3.42Å; E1000-M1002 VanDerWaalsContact C-N 3.26Å; E1000-M1002 PolarHBondContact O-N 3.19Å; M1002-K1006 WeakPolarHBondContact O-CE 3.31Å; M1002-R1042 HydrophobicContact CE-CG 3.72Å; M1002-R1042 HydrophobicContact SD-CG 3.8Å; M1002-K1045 PolarHBondContact O-NZ 3.49Å; M1002-A1046 HydrophobicContact CE-CB 4.25Å
1003	S	83.9	Confident	86	Confident	65 Å²	65	64.9 Å²	64.9	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-83.8	-27.1	170.6	65	0	0	0	0	114.1	E999 E1000 L1001 K1006	E999-S1003 PolarHBondContact O-N 3.11Å; E1000-S1003 PolarHBondContact O-N 3.14Å; E1000-S1003 VanDerWaalsContact O-N 3.13Å; E1000-S1003 PolarHBondContact O-OG 3.26Å; L1001-S1003 VanDerWaalsContact C-N 3.32Å; L1001-S1003 PolarHBondContact O-N 3.43Å; S1003-K1006 VanDerWaalsContact O-CD 3.32Å; S1003-K1006 WeakPolarHBondContact O-CD 3.4Å; S1003-K1006 VanDerWaalsContact O-CG 3.29Å; S1003-K1006 WeakPolarHBondContact O-CG 3.39Å
1004	F	87.6	Confident	86.4	Confident	50 Å²	50	65.8 Å²	65.8	22%	0.219	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	142.2	-175.4	-174.6	-104.8	0	0	0	115.1	V988 A993 W994 P995 E1000 L1001 K1006 W1041 K1045	V988-F1004 HydrophobicContact CG2-CE1 4.24Å; A993-F1004 HydrophobicContact CB-CZ 4.29Å; A993-F1004 WeakPolarHBondContact O-CZ 3.4Å; W994-F1004 AromaticContact CD1-CD1 3.99Å; W994-F1004 AromaticContact CD1-CE1 3.45Å; W994-F1004 VanDerWaalsContact CD1-CE1 3.45Å; W994-F1004 HydrophobicContact CG-CD1 4.49Å; W994-F1004 HydrophobicContact CG-CE1 4.28Å; W994-F1004 AromaticContact NE1-CE1 3.81Å; P995-F1004 VanDerWaalsContact CD-CG 3.5Å; P995-F1004 HydrophobicContact CG-CB 4Å; P995-F1004 HydrophobicContact CG-CD2 3.7Å; P995-F1004 HydrophobicContact CG-CE2 4.41Å; P995-F1004 HydrophobicContact CG-CG 3.97Å; E1000-F1004 WeakPolarHBondContact O-CB 3.48Å; E1000-F1004 PolarHBondContact O-N 2.83Å; L1001-F1004 WeakPolarHBondContact O-CB 3.24Å; L1001-F1004 PolarHBondContact O-N 3.4Å; F1004-K1006 VanDerWaalsContact C-N 3.29Å; F1004-K1006 PolarHBondContact O-N 2.86Å; F1004-W1041 PolarHBondContact O-NE1 3.39Å; F1004-W1041 VanDerWaalsContact O-NE1 3.13Å; F1004-K1045 PolarHBondContact O-NZ 3.25Å
1005	G	86.9	Confident	86.5	Confident	6 Å²	6	65.2 Å²	65.2	6%	0.062	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	3.8	168.6	0	0	0	0	0	116.6	D1008 M1009	G1005-D1008 WeakPolarHBondContact CA-OD2 3.37Å; G1005-M1009 WeakPolarHBondContact O-CB 3.12Å; G1005-M1009 WeakPolarHBondContact O-CG 3.18Å; G1005-M1009 PolarHBondContact O-N 3Å
1006	K	89.1	Confident	86.5	Confident	87 Å²	87	63.6 Å²	63.6	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-64.3	-43	-174.5	-73.2	172.3	-178.8	170.7	0	112.7	M1002 S1003 F1004 V1010 L1038	M1002-K1006 WeakPolarHBondContact O-CE 3.31Å; S1003-K1006 VanDerWaalsContact O-CD 3.32Å; S1003-K1006 WeakPolarHBondContact O-CD 3.4Å; S1003-K1006 VanDerWaalsContact O-CG 3.29Å; S1003-K1006 WeakPolarHBondContact O-CG 3.39Å; F1004-K1006 VanDerWaalsContact C-N 3.29Å; F1004-K1006 PolarHBondContact O-N 2.86Å; K1006-V1010 WeakPolarHBondContact O-CG2 3.43Å; K1006-V1010 PolarHBondContact O-N 2.89Å; K1006-L1038 HydrophobicContact CB-CD2 4.19Å; K1006-L1038 HydrophobicContact CG-CD2 4.22Å
1007	E	90	Very high	86.7	Confident	154 Å²	154	55.1 Å²	55.1	72%	0.72	28%	0.284	S	S	*	.	H	α-helix	trans	-72.2	-38.1	-178.7	-65.4	178.9	-162.3	0	0	111.1	V1010 Q1011	E1007-V1010 PolarHBondContact O-N 2.84Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.13Å; E1007-Q1011 PolarHBondContact O-N 2.85Å; E1007-Q1011 PolarHBondContact O-NE2 2.66Å
1008	D	91.8	Very high	86.8	Confident	51 Å²	51	55.4 Å²	55.4	27%	0.273	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-45.1	176.9	-46.9	-77.5	0	0	0	111.8	A985 V988 G1005 V1010 Q1011 I1012	A985-D1008 HydrophobicContact CB-CB 4.05Å; V988-D1008 HydrophobicContact CB-CB 3.95Å; V988-D1008 HydrophobicContact CG1-CB 4.43Å; V988-D1008 HydrophobicContact CG2-CB 4.19Å; G1005-D1008 WeakPolarHBondContact CA-OD2 3.37Å; D1008-V1010 VanDerWaalsContact C-N 3.27Å; D1008-V1010 PolarHBondContact O-N 3.39Å; D1008-Q1011 PolarHBondContact O-N 2.86Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; D1008-I1012 PolarHBondContact O-N 3.46Å
1009	M	91.4	Very high	87	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-31.8	175	-71.2	-59.1	-57.8	0	0	112.6	V988 F989 G1005 I1012 F1013 L1037 L1038 W1041 L1071 I1074	V988-M1009 HydrophobicContact CG1-CG 4.4Å; V988-M1009 HydrophobicContact CG1-SD 3.73Å; V988-M1009 HydrophobicContact CG2-CG 4.22Å; V988-M1009 HydrophobicContact CG2-SD 4.48Å; F989-M1009 HydrophobicContact CE1-CE 4.47Å; F989-M1009 HydrophobicContact CE1-SD 4.05Å; F989-M1009 HydrophobicContact CE2-SD 4.25Å; F989-M1009 HydrophobicContact CZ-CE 4.01Å; F989-M1009 HydrophobicContact CZ-SD 3.6Å; G1005-M1009 WeakPolarHBondContact O-CB 3.12Å; G1005-M1009 WeakPolarHBondContact O-CG 3.18Å; G1005-M1009 PolarHBondContact O-N 3Å; M1009-I1012 HydrophobicContact SD-CD1 4.16Å; M1009-F1013 WeakPolarHBondContact O-CB 3.43Å; M1009-F1013 PolarHBondContact O-N 2.89Å; M1009-L1037 HydrophobicContact CE-CD1 3.8Å; M1009-L1037 HydrophobicContact CE-CD2 4.12Å; M1009-L1037 HydrophobicContact CE-CG 4.16Å; M1009-L1038 HydrophobicContact CB-CD2 4.41Å; M1009-W1041 HydrophobicContact CE-CE3 4.45Å; M1009-W1041 HydrophobicContact CG-CD2 3.9Å; M1009-W1041 HydrophobicContact CG-CE3 4.46Å; M1009-W1041 HydrophobicContact CG-CG 3.91Å; M1009-W1041 HydrophobicContact SD-CD2 4.23Å; M1009-W1041 HydrophobicContact SD-CE3 4.2Å; M1009-W1041 HydrophobicContact SD-CZ3 4.47Å; M1009-L1071 HydrophobicContact CE-CD2 3.47Å; M1009-L1071 VanDerWaalsContact CE-CD2 3.47Å; M1009-I1074 HydrophobicContact CE-CD1 3.63Å
1010	V	90.6	Very high	86.8	Confident	39 Å²	39	47.5 Å²	47.5	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-71.2	-43.1	172	171	0	0	0	0	111.2	K1006 E1007 D1008 I1012 F1013 D1014 L1038	K1006-V1010 WeakPolarHBondContact O-CG2 3.43Å; K1006-V1010 PolarHBondContact O-N 2.89Å; E1007-V1010 PolarHBondContact O-N 2.84Å; D1008-V1010 VanDerWaalsContact C-N 3.27Å; D1008-V1010 PolarHBondContact O-N 3.39Å; V1010-I1012 VanDerWaalsContact C-N 3.32Å; V1010-I1012 PolarHBondContact O-N 2.9Å; V1010-F1013 PolarHBondContact O-N 2.94Å; V1010-F1013 VanDerWaalsContact O-N 3.12Å; V1010-D1014 WeakPolarHBondContact O-CB 3.42Å; V1010-D1014 PolarHBondContact O-N 2.93Å; V1010-L1038 HydrophobicContact CG2-CD1 4.04Å; V1010-L1038 HydrophobicContact CG2-CD2 4.3Å; V1010-L1038 HydrophobicContact CG2-CG 4.43Å
1011	Q	90.8	Very high	86.2	Confident	77 Å²	77	44.1 Å²	44.1	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-39.6	175.3	-72.7	172.8	72.4	0	0	112.6	A985 E1007 D1008 H1015	A985-Q1011 HydrophobicContact CB-CB 4.19Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.13Å; E1007-Q1011 PolarHBondContact O-N 2.85Å; E1007-Q1011 PolarHBondContact O-NE2 2.66Å; D1008-Q1011 PolarHBondContact O-N 2.86Å; Q1011-H1015 PolarHBondContact O-N 3.29Å
1012	I	91.4	Very high	85.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-45.8	172.8	-69.6	159.5	0	0	0	110.2	F982 A985 V988 F989 D1008 M1009 V1010 H1015 L1016 I1074	F982-I1012 HydrophobicContact CE2-CB 4.34Å; F982-I1012 HydrophobicContact CE2-CG1 4.31Å; F982-I1012 HydrophobicContact CE2-CG2 4.03Å; F982-I1012 HydrophobicContact CZ-CG2 4.41Å; A985-I1012 HydrophobicContact CB-CD1 4.15Å; A985-I1012 HydrophobicContact CB-CG1 3.86Å; V988-I1012 HydrophobicContact CG1-CD1 3.92Å; F989-I1012 HydrophobicContact CE2-CD1 3.91Å; D1008-I1012 WeakPolarHBondContact O-CG1 3.29Å; D1008-I1012 PolarHBondContact O-N 3.46Å; M1009-I1012 HydrophobicContact SD-CD1 4.16Å; V1010-I1012 VanDerWaalsContact C-N 3.32Å; V1010-I1012 PolarHBondContact O-N 2.9Å; I1012-H1015 PolarHBondContact O-N 2.75Å; I1012-L1016 HydrophobicContact CG2-CD1 3.96Å; I1012-L1016 VanDerWaalsContact O-CG 3.31Å; I1012-L1016 WeakPolarHBondContact O-CG 3.47Å; I1012-L1016 PolarHBondContact O-N 3.04Å; I1012-L1016 VanDerWaalsContact O-N 3.13Å; I1012-I1074 HydrophobicContact CG2-CD1 4.17Å; I1012-I1074 HydrophobicContact CG2-CG1 4.12Å; I1012-I1074 HydrophobicContact CG2-CG2 3.69Å
1013	F	89.1	Confident	84.7	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-45.7	178.5	-175.5	-89	0	0	0	112.7	M1009 V1010 H1015 L1016 E1017 F1022 V1026 P1033 R1034 L1037	M1009-F1013 WeakPolarHBondContact O-CB 3.43Å; M1009-F1013 PolarHBondContact O-N 2.89Å; V1010-F1013 PolarHBondContact O-N 2.94Å; V1010-F1013 VanDerWaalsContact O-N 3.12Å; F1013-H1015 PolarHBondContact O-N 3.42Å; F1013-L1016 PolarHBondContact O-N 2.82Å; F1013-E1017 HydrophobicContact CD1-CB 4.43Å; F1013-E1017 HydrophobicContact CE1-CB 4.1Å; F1013-E1017 HydrophobicContact CE1-CG 4.39Å; F1013-E1017 WeakPolarHBondContact O-CB 3.33Å; F1013-E1017 PolarHBondContact O-N 3.48Å; F1013-F1022 HydrophobicContact CD2-CE1 4.05Å; F1013-F1022 HydrophobicContact CD2-CZ 4.1Å; F1013-F1022 AromaticContact CE2-CE1 3.68Å; F1013-F1022 HydrophobicContact CE2-CE1 3.68Å; F1013-F1022 HydrophobicContact CE2-CZ 4Å; F1013-F1022 HydrophobicContact CZ-CE1 4.25Å; F1013-V1026 HydrophobicContact CZ-CG1 4.45Å; F1013-P1033 HydrophobicContact CE1-CG 4.32Å; F1013-P1033 HydrophobicContact CE2-CB 4.15Å; F1013-P1033 HydrophobicContact CZ-CB 3.73Å; F1013-P1033 HydrophobicContact CZ-CG 3.73Å; F1013-R1034 HydrophobicContact CD1-CG 3.77Å; F1013-R1034 HydrophobicContact CE1-CG 3.62Å; F1013-R1034 HydrophobicContact CZ-CG 4.4Å; F1013-L1037 HydrophobicContact CB-CD2 3.69Å; F1013-L1037 HydrophobicContact CD2-CD2 3.8Å; F1013-L1037 HydrophobicContact CG-CD2 4.07Å
1014	D	88.2	Confident	83.8	Confident	71 Å²	71	47.9 Å²	47.9	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-54.6	-38.5	176.7	-77.1	-28.7	0	0	0	111.7	V1010 R1034	V1010-D1014 WeakPolarHBondContact O-CB 3.42Å; V1010-D1014 PolarHBondContact O-N 2.93Å; D1014-R1034 IonicContact OD1-CZ 3.44Å; D1014-R1034 IonicContact OD1-NH1 2.73Å; D1014-R1034 PolarHBondContact OD1-NH1 2.92Å; D1014-R1034 IonicContact OD1-NH2 3.34Å; D1014-R1034 PolarHBondContact OD1-NH2 3.25Å
1015	H	88	Confident	82.6	Confident	19 Å²	19	49.6 Å²	49.6	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-44	175.4	-178.2	87.8	0	0	0	112.4	W754 L756 F982 Q1011 I1012 F1013 A1018	W754-H1015 PolarHBondContact O-CE1 3.04Å; W754-H1015 VanDerWaalsContact O-CE1 3.22Å; W754-H1015 PolarHBondContact O-NE2 3.2Å; W754-H1015 VanDerWaalsContact O-NE2 3.16Å; L756-H1015 WeakPolarHBondContact CD2-CE1 3.47Å; L756-H1015 WeakPolarHBondContact CG-NE2 3.31Å; F982-H1015 HydrophobicContact CD2-CB 3.67Å; F982-H1015 AromaticContact CD2-CD2 3.76Å; F982-H1015 AromaticContact CD2-CG 3.57Å; F982-H1015 HydrophobicContact CE2-CB 4.01Å; F982-H1015 AromaticContact CE2-CD2 3.73Å; F982-H1015 AromaticContact CE2-CG 3.95Å; Q1011-H1015 PolarHBondContact O-N 3.29Å; I1012-H1015 PolarHBondContact O-N 2.75Å; F1013-H1015 PolarHBondContact O-N 3.42Å; H1015-A1018 WeakPolarHBondContact O-CB 3.34Å; H1015-A1018 PolarHBondContact O-N 3.42Å
1016	L	85	Confident	81.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.8	-28	-177.5	-63.8	173.4	0	0	0	113.2	I1012 F1013 A1018 I1019 F1022 I1074 V1077	I1012-L1016 HydrophobicContact CG2-CD1 3.96Å; I1012-L1016 VanDerWaalsContact O-CG 3.31Å; I1012-L1016 WeakPolarHBondContact O-CG 3.47Å; I1012-L1016 PolarHBondContact O-N 3.04Å; I1012-L1016 VanDerWaalsContact O-N 3.13Å; F1013-L1016 PolarHBondContact O-N 2.82Å; L1016-A1018 PolarHBondContact O-N 3.47Å; L1016-I1019 HydrophobicContact CB-CD1 4.49Å; L1016-I1019 HydrophobicContact CD2-CD1 3.57Å; L1016-I1019 VanDerWaalsContact O-CB 3.3Å; L1016-I1019 WeakPolarHBondContact O-CB 3.2Å; L1016-I1019 WeakPolarHBondContact O-CG1 3.28Å; L1016-I1019 PolarHBondContact O-N 3.44Å; L1016-F1022 HydrophobicContact CB-CD1 4.1Å; L1016-F1022 HydrophobicContact CB-CD2 4.14Å; L1016-F1022 HydrophobicContact CB-CE1 3.93Å; L1016-F1022 HydrophobicContact CB-CE2 3.97Å; L1016-F1022 HydrophobicContact CB-CG 4.2Å; L1016-F1022 HydrophobicContact CB-CZ 3.87Å; L1016-F1022 HydrophobicContact CD1-CE2 4.11Å; L1016-F1022 HydrophobicContact CD1-CZ 4.32Å; L1016-F1022 WeakPolarHBondContact O-CB 3.28Å; L1016-F1022 VanDerWaalsContact O-CD1 3.31Å; L1016-F1022 WeakPolarHBondContact O-CD1 3.32Å; L1016-F1022 WeakPolarHBondContact O-CG 3.19Å; L1016-I1074 HydrophobicContact CD1-CB 4.17Å; L1016-I1074 HydrophobicContact CD1-CG1 3.54Å; L1016-I1074 HydrophobicContact CD1-CG2 4.4Å; L1016-V1077 HydrophobicContact CD2-CB 4.14Å; L1016-V1077 HydrophobicContact CD2-CG1 3.87Å; L1016-V1077 HydrophobicContact CD2-CG2 4.02Å
1017	E	84.7	Confident	79.6	Confident	63 Å²	63	50.7 Å²	50.7	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-26.9	172.7	-175.3	163.6	-136.8	0	0	111.9	F1013 I1019 R1034	F1013-E1017 HydrophobicContact CD1-CB 4.43Å; F1013-E1017 HydrophobicContact CE1-CB 4.1Å; F1013-E1017 HydrophobicContact CE1-CG 4.39Å; F1013-E1017 WeakPolarHBondContact O-CB 3.33Å; F1013-E1017 PolarHBondContact O-N 3.48Å; E1017-I1019 PolarHBondContact O-N 3.3Å; E1017-R1034 IonicContact OE2-CZ 2.72Å; E1017-R1034 IonicContact OE2-NE 3.14Å; E1017-R1034 IonicContact OE2-NH2 2.59Å; E1017-R1034 PolarHBondContact OE2-NH2 3.26Å
1018	A	84.6	Confident	78	Confident	50 Å²	50	53.7 Å²	53.7	41%	0.413	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.3	172.2	0	0	0	0	0	114.4	W754 H1015 L1016	W754-A1018 HydrophobicContact CB-CB 4.34Å; W754-A1018 VanDerWaalsContact CE3-O 3.3Å; H1015-A1018 WeakPolarHBondContact O-CB 3.34Å; H1015-A1018 PolarHBondContact O-N 3.42Å; L1016-A1018 PolarHBondContact O-N 3.47Å
1019	I	84.1	Confident	76.2	Confident	5 Å²	5	59 Å²	59	3%	0.026	30%	0.3	C	S	.	.	S	Bend	trans	-87.8	119	176.4	-54.6	172.8	0	0	0	109.1	P725 V727 W754 L1016 E1017 T1021 F1022 S1023	P725-I1019 HydrophobicContact CB-CG2 3.57Å; P725-I1019 HydrophobicContact CG-CG2 4.26Å; V727-I1019 HydrophobicContact CG1-CD1 3.97Å; W754-I1019 HydrophobicContact CB-CG1 3.9Å; W754-I1019 HydrophobicContact CG-CG1 3.86Å; L1016-I1019 HydrophobicContact CB-CD1 4.49Å; L1016-I1019 HydrophobicContact CD2-CD1 3.57Å; L1016-I1019 VanDerWaalsContact O-CB 3.3Å; L1016-I1019 WeakPolarHBondContact O-CB 3.2Å; L1016-I1019 WeakPolarHBondContact O-CG1 3.28Å; L1016-I1019 PolarHBondContact O-N 3.44Å; E1017-I1019 PolarHBondContact O-N 3.3Å; I1019-T1021 VanDerWaalsContact C-N 3.32Å; I1019-T1021 PolarHBondContact O-N 3.27Å; I1019-T1021 VanDerWaalsContact O-N 3.15Å; I1019-F1022 HydrophobicContact CB-CB 4Å; I1019-F1022 HydrophobicContact CG2-CB 4.44Å; I1019-F1022 WeakPolarHBondContact O-CB 3.33Å; I1019-F1022 PolarHBondContact O-N 3.44Å; I1019-S1023 PolarHBondContact O-N 3.41Å
1020	P	76.1	Confident	74.6	Confident	73 Å²	73	62.7 Å²	62.7	47%	0.474	34%	0.338	S	S	.	.	H	α-helix	trans	-58.8	-34.4	-170.7	-28.8	35.6	0	0	0	115.6	W754 R1024	W754-P1020 HydrophobicContact CE3-CG 4.2Å; W754-P1020 HydrophobicContact CH2-CG 3.73Å; W754-P1020 HydrophobicContact CZ2-CG 4.48Å; W754-P1020 VanDerWaalsContact CZ3-CD 3.42Å; W754-P1020 HydrophobicContact CZ3-CG 3.56Å; P1020-R1024 WeakPolarHBondContact O-CB 3.31Å; P1020-R1024 PolarHBondContact O-N 3.18Å; P1020-R1024 VanDerWaalsContact O-N 3.14Å
1021	T	69.8	Low	73.4	Confident	43 Å²	43	66.5 Å²	66.5	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-72.6	-39.3	176.2	48.5	0	0	0	0	112.4	P725 I1019 R1024 D1025	P725-T1021 WeakPolarHBondContact CG-OG1 3.4Å; I1019-T1021 VanDerWaalsContact C-N 3.32Å; I1019-T1021 PolarHBondContact O-N 3.27Å; I1019-T1021 VanDerWaalsContact O-N 3.15Å; T1021-R1024 PolarHBondContact O-N 3.17Å; T1021-D1025 WeakPolarHBondContact O-CB 3.26Å; T1021-D1025 VanDerWaalsContact O-CG 3.29Å; T1021-D1025 PolarHBondContact O-N 3.41Å; T1021-D1025 VanDerWaalsContact O-N 3.15Å
1022	F	71.4	Confident	72.9	Confident	14 Å²	14	67.4 Å²	67.4	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-63.1	-49.8	177.2	-174	-85.5	0	0	0	110.2	F1013 L1016 I1019 R1024 D1025 V1026 K1073	F1013-F1022 HydrophobicContact CD2-CE1 4.05Å; F1013-F1022 HydrophobicContact CD2-CZ 4.1Å; F1013-F1022 AromaticContact CE2-CE1 3.68Å; F1013-F1022 HydrophobicContact CE2-CE1 3.68Å; F1013-F1022 HydrophobicContact CE2-CZ 4Å; F1013-F1022 HydrophobicContact CZ-CE1 4.25Å; L1016-F1022 HydrophobicContact CB-CD1 4.1Å; L1016-F1022 HydrophobicContact CB-CD2 4.14Å; L1016-F1022 HydrophobicContact CB-CE1 3.93Å; L1016-F1022 HydrophobicContact CB-CE2 3.97Å; L1016-F1022 HydrophobicContact CB-CG 4.2Å; L1016-F1022 HydrophobicContact CB-CZ 3.87Å; L1016-F1022 HydrophobicContact CD1-CE2 4.11Å; L1016-F1022 HydrophobicContact CD1-CZ 4.32Å; L1016-F1022 WeakPolarHBondContact O-CB 3.28Å; L1016-F1022 VanDerWaalsContact O-CD1 3.31Å; L1016-F1022 WeakPolarHBondContact O-CD1 3.32Å; L1016-F1022 WeakPolarHBondContact O-CG 3.19Å; I1019-F1022 HydrophobicContact CB-CB 4Å; I1019-F1022 HydrophobicContact CG2-CB 4.44Å; I1019-F1022 WeakPolarHBondContact O-CB 3.33Å; I1019-F1022 PolarHBondContact O-N 3.44Å; F1022-R1024 PolarHBondContact O-N 3.19Å; F1022-D1025 PolarHBondContact O-N 2.9Å; F1022-V1026 HydrophobicContact CD1-CG2 4.18Å; F1022-V1026 HydrophobicContact CE1-CG2 4.07Å; F1022-V1026 WeakPolarHBondContact O-CB 3.31Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.49Å; F1022-V1026 PolarHBondContact O-N 2.58Å; F1022-V1026 VanDerWaalsContact O-N 3.16Å; F1022-K1073 HydrophobicContact CD2-CB 4.16Å; F1022-K1073 HydrophobicContact CD2-CD 4.15Å; F1022-K1073 HydrophobicContact CE2-CB 3.7Å; F1022-K1073 HydrophobicContact CE2-CD 4.04Å
1023	S	64.9	Low	72.3	Confident	41 Å²	41	68.8 Å²	68.8	29%	0.287	37%	0.373	S	S	.	.	H	α-helix	trans	-55.4	-52	175.3	176.1	0	0	0	0	112.2	I1019 D1025 V1026 C1027	I1019-S1023 PolarHBondContact O-N 3.41Å; S1023-D1025 VanDerWaalsContact C-N 3.26Å; S1023-D1025 PolarHBondContact O-N 3.29Å; S1023-V1026 PolarHBondContact O-N 3.31Å; S1023-C1027 PolarHBondContact O-N 3.32Å; S1023-C1027 PolarHBondContact O-SG 3.04Å; S1023-C1027 VanDerWaalsContact O-SG 3.33Å
1024	R	64.6	Low	72	Confident	162 Å²	162	72.9 Å²	72.9	61%	0.611	39%	0.389	S	S	*	.	H	α-helix	trans	-58.3	-35.9	-178.8	-173.9	-176.7	66.9	-160.5	-2.6	113.7	P1020 T1021 F1022 V1026	P1020-R1024 WeakPolarHBondContact O-CB 3.31Å; P1020-R1024 PolarHBondContact O-N 3.18Å; P1020-R1024 VanDerWaalsContact O-N 3.14Å; T1021-R1024 PolarHBondContact O-N 3.17Å; F1022-R1024 PolarHBondContact O-N 3.19Å; R1024-V1026 VanDerWaalsContact C-N 3.34Å
1025	D	62.6	Low	71.9	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	38%	0.383	S	S	.	.	H	α-helix	trans	-86.6	-5.7	-179	-65.4	0.2	0	0	0	113	T1021 F1022 S1023 K1073	T1021-D1025 WeakPolarHBondContact O-CB 3.26Å; T1021-D1025 VanDerWaalsContact O-CG 3.29Å; T1021-D1025 PolarHBondContact O-N 3.41Å; T1021-D1025 VanDerWaalsContact O-N 3.15Å; F1022-D1025 PolarHBondContact O-N 2.9Å; S1023-D1025 VanDerWaalsContact C-N 3.26Å; S1023-D1025 PolarHBondContact O-N 3.29Å; D1025-K1073 PolarHBondContact O-NZ 2.92Å
1026	V	60	Low	71.8	Confident	24 Å²	24	71.5 Å²	71.5	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-103.9	-40.4	177.5	169.5	0	0	0	0	111	F1013 F1022 S1023 R1024 R1028 P1033 L1070	F1013-V1026 HydrophobicContact CZ-CG1 4.45Å; F1022-V1026 HydrophobicContact CD1-CG2 4.18Å; F1022-V1026 HydrophobicContact CE1-CG2 4.07Å; F1022-V1026 WeakPolarHBondContact O-CB 3.31Å; F1022-V1026 WeakPolarHBondContact O-CG2 3.49Å; F1022-V1026 PolarHBondContact O-N 2.58Å; F1022-V1026 VanDerWaalsContact O-N 3.16Å; S1023-V1026 PolarHBondContact O-N 3.31Å; R1024-V1026 VanDerWaalsContact C-N 3.34Å; V1026-R1028 PolarHBondContact O-N 2.84Å; V1026-P1033 HydrophobicContact CG1-CB 3.33Å; V1026-P1033 HydrophobicContact CG1-CG 3.83Å; V1026-L1070 HydrophobicContact CG2-CD2 3.8Å
1027	C	53.3	Low	72	Confident	92 Å²	92	71.5 Å²	71.5	62%	0.622	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	11.6	-179.1	-61.1	0	0	0	0	115.2	S1023	S1023-C1027 PolarHBondContact O-N 3.32Å; S1023-C1027 PolarHBondContact O-SG 3.04Å; S1023-C1027 VanDerWaalsContact O-SG 3.33Å
1028	R	54.9	Low	72.2	Confident	216 Å²	216	70.6 Å²	70.6	82%	0.815	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-20.1	-173.6	-104.4	-174.4	168	-134.5	-3.8	115.7	V1026	V1026-R1028 PolarHBondContact O-N 2.84Å
1029	E	55.2	Low	72.3	Confident	162 Å²	162	72.3 Å²	72.3	76%	0.757	39%	0.388	S	S	*	.	S	Bend	trans	-117.1	-5.4	-167.2	-61.4	-168.5	149	0	0	115.2	L1031	E1029-L1031 PolarHBondContact O-N 2.99Å; E1029-L1031 VanDerWaalsContact O-N 3.15Å
1030	G	57.3	Low	72.7	Confident	78 Å²	78	72.9 Å²	72.9	80%	0.804	39%	0.39	S	S	*	.			trans	71.1	2.6	174.9	0	0	0	0	0	116.1
1031	L	64.9	Low	73.3	Confident	120 Å²	120	69.5 Å²	69.5	63%	0.628	37%	0.368	S	S	*	.	S	Bend	trans	-69.9	156	165.4	-93.6	64.5	0	0	0	110.9	E1029 P1033	E1029-L1031 PolarHBondContact O-N 2.99Å; E1029-L1031 VanDerWaalsContact O-N 3.15Å; L1031-P1033 VanDerWaalsContact O-CD 3.28Å; L1031-P1033 WeakPolarHBondContact O-CD 3.27Å
1032	D	80.2	Confident	74.2	Confident	95 Å²	95	72.1 Å²	72.1	51%	0.508	37%	0.373	S	S	.	.			trans	-69.9	112.9	162.5	167.6	19.9	0	0	0	109.2	R1034 G1035 S1036	D1032-R1034 VanDerWaalsContact C-N 3.35Å; D1032-R1034 WeakPolarHBondContact OD1-CB 3.43Å; D1032-R1034 PolarHBondContact OD1-N 3.43Å; D1032-G1035 PolarHBondContact OD1-N 3.29Å; D1032-G1035 VanDerWaalsContact OD2-CA 3.24Å; D1032-G1035 WeakPolarHBondContact OD2-CA 3.34Å; D1032-G1035 PolarHBondContact OD2-N 2.97Å; D1032-S1036 WeakPolarHBondContact O-CB 3.45Å; D1032-S1036 PolarHBondContact O-N 3.32Å; D1032-S1036 PolarHBondContact O-OG 3.49Å
1033	P	78.8	Confident	75	Confident	30 Å²	30	75.1 Å²	75.1	20%	0.195	39%	0.387	C	S	.	.	H	α-helix	trans	-76.8	-23.8	-177.1	34	-36.3	0	0	0	112.5	F1013 V1026 L1031 L1037 L1070	F1013-P1033 HydrophobicContact CE1-CG 4.32Å; F1013-P1033 HydrophobicContact CE2-CB 4.15Å; F1013-P1033 HydrophobicContact CZ-CB 3.73Å; F1013-P1033 HydrophobicContact CZ-CG 3.73Å; V1026-P1033 HydrophobicContact CG1-CB 3.33Å; V1026-P1033 HydrophobicContact CG1-CG 3.83Å; L1031-P1033 VanDerWaalsContact O-CD 3.28Å; L1031-P1033 WeakPolarHBondContact O-CD 3.27Å; P1033-L1037 WeakPolarHBondContact O-CB 3.45Å; P1033-L1037 PolarHBondContact O-N 2.9Å; P1033-L1070 WeakPolarHBondContact O-CD1 3.23Å
1034	R	84.3	Confident	76	Confident	87 Å²	87	73.1 Å²	73.1	33%	0.328	37%	0.374	S	S	.	.	H	α-helix	trans	-73.5	-48.1	178.3	-64.1	164.2	175	-101.6	-6.1	109.3	F1013 D1014 E1017 D1032 S1036 L1037 L1038	F1013-R1034 HydrophobicContact CD1-CG 3.77Å; F1013-R1034 HydrophobicContact CE1-CG 3.62Å; F1013-R1034 HydrophobicContact CZ-CG 4.4Å; D1014-R1034 IonicContact OD1-CZ 3.44Å; D1014-R1034 IonicContact OD1-NH1 2.73Å; D1014-R1034 PolarHBondContact OD1-NH1 2.92Å; D1014-R1034 IonicContact OD1-NH2 3.34Å; D1014-R1034 PolarHBondContact OD1-NH2 3.25Å; E1017-R1034 IonicContact OE2-CZ 2.72Å; E1017-R1034 IonicContact OE2-NE 3.14Å; E1017-R1034 IonicContact OE2-NH2 2.59Å; E1017-R1034 PolarHBondContact OE2-NH2 3.26Å; D1032-R1034 VanDerWaalsContact C-N 3.35Å; D1032-R1034 WeakPolarHBondContact OD1-CB 3.43Å; D1032-R1034 PolarHBondContact OD1-N 3.43Å; R1034-S1036 VanDerWaalsContact C-N 3.32Å; R1034-S1036 PolarHBondContact O-N 3.16Å; R1034-L1037 PolarHBondContact O-N 3.5Å; R1034-L1038 WeakPolarHBondContact O-CG 3.43Å; R1034-L1038 PolarHBondContact O-N 3.18Å
1035	G	84.8	Confident	77.1	Confident	26 Å²	26	65.6 Å²	65.6	27%	0.268	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-41.9	169.9	0	0	0	0	0	112.7	D1032 L1038 M1039	D1032-G1035 PolarHBondContact OD1-N 3.29Å; D1032-G1035 VanDerWaalsContact OD2-CA 3.24Å; D1032-G1035 WeakPolarHBondContact OD2-CA 3.34Å; D1032-G1035 PolarHBondContact OD2-N 2.97Å; G1035-L1038 PolarHBondContact O-N 3.36Å; G1035-M1039 WeakPolarHBondContact O-CG 3.43Å; G1035-M1039 PolarHBondContact O-N 2.7Å
1036	S	87	Confident	78	Confident	34 Å²	34	64.3 Å²	64.3	24%	0.238	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-47.5	176.8	-58.7	0	0	0	0	112.2	D1032 R1034 L1038 M1039 E1040	D1032-S1036 WeakPolarHBondContact O-CB 3.45Å; D1032-S1036 PolarHBondContact O-N 3.32Å; D1032-S1036 PolarHBondContact O-OG 3.49Å; R1034-S1036 VanDerWaalsContact C-N 3.32Å; R1034-S1036 PolarHBondContact O-N 3.16Å; S1036-L1038 VanDerWaalsContact C-N 3.33Å; S1036-L1038 PolarHBondContact O-N 3.5Å; S1036-M1039 WeakPolarHBondContact O-CB 3.44Å; S1036-M1039 PolarHBondContact O-N 3.48Å; S1036-M1039 VanDerWaalsContact O-N 3.08Å; S1036-E1040 PolarHBondContact O-N 3.31Å
1037	L	88.8	Confident	78.7	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-60.5	-40.6	175.2	177.5	64.3	0	0	0	112.4	M1009 F1013 P1033 R1034 M1039 E1040 W1041 L1070 L1071 I1074	M1009-L1037 HydrophobicContact CE-CD1 3.8Å; M1009-L1037 HydrophobicContact CE-CD2 4.12Å; M1009-L1037 HydrophobicContact CE-CG 4.16Å; F1013-L1037 HydrophobicContact CB-CD2 3.69Å; F1013-L1037 HydrophobicContact CD2-CD2 3.8Å; F1013-L1037 HydrophobicContact CG-CD2 4.07Å; P1033-L1037 WeakPolarHBondContact O-CB 3.45Å; P1033-L1037 PolarHBondContact O-N 2.9Å; R1034-L1037 PolarHBondContact O-N 3.5Å; L1037-M1039 PolarHBondContact O-N 3.22Å; L1037-E1040 PolarHBondContact O-N 3.36Å; L1037-W1041 VanDerWaalsContact O-CB 3.3Å; L1037-W1041 WeakPolarHBondContact O-CB 3.33Å; L1037-W1041 PolarHBondContact O-N 3.5Å; L1037-L1070 HydrophobicContact CB-CB 4.5Å; L1037-L1070 HydrophobicContact CB-CD1 4.02Å; L1037-L1070 HydrophobicContact CD1-CB 3.97Å; L1037-L1071 HydrophobicContact CD1-CD2 3.75Å; L1037-L1071 HydrophobicContact CD1-CG 4.01Å; L1037-I1074 HydrophobicContact CD1-CD1 3.63Å; L1037-I1074 HydrophobicContact CD2-CD1 3.92Å; L1037-I1074 HydrophobicContact CG-CD1 4.45Å
1038	L	89.1	Confident	79.5	Confident	44 Å²	44	62.2 Å²	62.2	23%	0.23	33%	0.328	C	S	.	.	H	α-helix	trans	-73.2	-10.8	177.7	-68.2	176.4	0	0	0	113.7	K1006 M1009 V1010 R1034 G1035 S1036 R1042	K1006-L1038 HydrophobicContact CB-CD2 4.19Å; K1006-L1038 HydrophobicContact CG-CD2 4.22Å; M1009-L1038 HydrophobicContact CB-CD2 4.41Å; V1010-L1038 HydrophobicContact CG2-CD1 4.04Å; V1010-L1038 HydrophobicContact CG2-CD2 4.3Å; V1010-L1038 HydrophobicContact CG2-CG 4.43Å; R1034-L1038 WeakPolarHBondContact O-CG 3.43Å; R1034-L1038 PolarHBondContact O-N 3.18Å; G1035-L1038 PolarHBondContact O-N 3.36Å; S1036-L1038 VanDerWaalsContact C-N 3.33Å; S1036-L1038 PolarHBondContact O-N 3.5Å; L1038-R1042 WeakPolarHBondContact O-CB 3.31Å
1039	M	87.4	Confident	79.8	Confident	85 Å²	85	58 Å²	58	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-88	-48.2	165.5	-70.6	-61.4	-63.6	0	0	110.9	G1035 S1036 L1037 W1041 R1042 E1043	G1035-M1039 WeakPolarHBondContact O-CG 3.43Å; G1035-M1039 PolarHBondContact O-N 2.7Å; S1036-M1039 WeakPolarHBondContact O-CB 3.44Å; S1036-M1039 PolarHBondContact O-N 3.48Å; S1036-M1039 VanDerWaalsContact O-N 3.08Å; L1037-M1039 PolarHBondContact O-N 3.22Å; M1039-W1041 VanDerWaalsContact C-N 3.3Å; M1039-W1041 PolarHBondContact O-N 3.45Å; M1039-R1042 WeakPolarHBondContact O-CB 3.3Å; M1039-R1042 PolarHBondContact O-N 2.98Å; M1039-R1042 VanDerWaalsContact SD-CZ 3.56Å; M1039-R1042 PolarHBondContact SD-NH2 3.47Å; M1039-R1042 VanDerWaalsContact SD-NH2 3.42Å; M1039-E1043 PolarHBondContact O-N 2.89Å
1040	E	90.6	Very high	79.9	Confident	17 Å²	17	56.1 Å²	56.1	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-51.5	-48	172.7	-74.6	-173.9	-144.3	0	0	111.7	S1036 L1037 R1042 E1043 L1044 F1068 P1069 L1070 L1071	S1036-E1040 PolarHBondContact O-N 3.31Å; L1037-E1040 PolarHBondContact O-N 3.36Å; E1040-R1042 VanDerWaalsContact C-N 3.29Å; E1040-R1042 PolarHBondContact O-N 3.34Å; E1040-E1043 PolarHBondContact O-N 2.93Å; E1040-L1044 WeakPolarHBondContact O-CB 3.38Å; E1040-L1044 PolarHBondContact O-N 3.21Å; E1040-F1068 HydrophobicContact CB-CD1 4.19Å; E1040-F1068 HydrophobicContact CG-CD1 4.43Å; E1040-F1068 VanDerWaalsContact OE2-CA 3.23Å; E1040-F1068 WeakPolarHBondContact OE2-CA 3.36Å; E1040-P1069 VanDerWaalsContact OE1-CD 3.26Å; E1040-P1069 WeakPolarHBondContact OE1-CD 3.48Å; E1040-P1069 WeakPolarHBondContact OE1-CG 3.26Å; E1040-L1070 VanDerWaalsContact OE1-CB 3.23Å; E1040-L1070 WeakPolarHBondContact OE1-CB 3.36Å; E1040-L1070 VanDerWaalsContact OE1-CG 3.28Å; E1040-L1070 WeakPolarHBondContact OE1-CG 3.37Å; E1040-L1070 PolarHBondContact OE1-N 3.38Å; E1040-L1070 PolarHBondContact OE2-N 2.65Å; E1040-L1071 HydrophobicContact CB-CD1 3.76Å; E1040-L1071 HydrophobicContact CB-CG 3.96Å; E1040-L1071 WeakPolarHBondContact OE2-CG 3.5Å; E1040-L1071 PolarHBondContact OE2-N 3.34Å
1041	W	90.5	Very high	79.9	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-32.3	178.2	179.7	-123.4	0	0	0	113.3	V988 F989 W994 F1004 M1009 L1037 M1039 L1044 K1045 L1071	V988-W1041 HydrophobicContact CG2-CH2 4.03Å; V988-W1041 HydrophobicContact CG2-CZ2 3.49Å; V988-W1041 VanDerWaalsContact CG2-CZ2 3.49Å; V988-W1041 WeakPolarHBondContact O-CH2 3.35Å; F989-W1041 HydrophobicContact CD1-CH2 4.25Å; F989-W1041 AromaticContact CD1-CZ3 3.93Å; F989-W1041 HydrophobicContact CD1-CZ3 3.93Å; F989-W1041 HydrophobicContact CE1-CE3 4.47Å; F989-W1041 HydrophobicContact CE1-CH2 4.46Å; F989-W1041 AromaticContact CE1-CZ3 3.81Å; F989-W1041 HydrophobicContact CE1-CZ3 3.81Å; W994-W1041 AromaticContact CZ2-CH2 3.57Å; W994-W1041 HydrophobicContact CZ2-CH2 3.57Å; W994-W1041 HydrophobicContact CZ2-CZ2 4.15Å; W994-W1041 HydrophobicContact CZ2-CZ3 4.26Å; F1004-W1041 PolarHBondContact O-NE1 3.39Å; F1004-W1041 VanDerWaalsContact O-NE1 3.13Å; M1009-W1041 HydrophobicContact CE-CE3 4.45Å; M1009-W1041 HydrophobicContact CG-CD2 3.9Å; M1009-W1041 HydrophobicContact CG-CE3 4.46Å; M1009-W1041 HydrophobicContact CG-CG 3.91Å; M1009-W1041 HydrophobicContact SD-CD2 4.23Å; M1009-W1041 HydrophobicContact SD-CE3 4.2Å; M1009-W1041 HydrophobicContact SD-CZ3 4.47Å; L1037-W1041 VanDerWaalsContact O-CB 3.3Å; L1037-W1041 WeakPolarHBondContact O-CB 3.33Å; L1037-W1041 PolarHBondContact O-N 3.5Å; M1039-W1041 VanDerWaalsContact C-N 3.3Å; M1039-W1041 PolarHBondContact O-N 3.45Å; W1041-L1044 HydrophobicContact CE3-CD2 3.91Å; W1041-L1044 HydrophobicContact CZ3-CD2 3.77Å; W1041-K1045 HydrophobicContact CD2-CD 4.41Å; W1041-K1045 HydrophobicContact CZ2-CD 3.82Å; W1041-K1045 HydrophobicContact CZ2-CG 4.25Å; W1041-K1045 VanDerWaalsContact O-CE 3.31Å; W1041-K1045 WeakPolarHBondContact O-CE 3.49Å; W1041-K1045 WeakPolarHBondContact O-CG 3.31Å; W1041-K1045 PolarHBondContact O-N 3.43Å; W1041-L1071 HydrophobicContact CE3-CD2 4.13Å
1042	R	88.4	Confident	79.6	Confident	99 Å²	99	57.4 Å²	57.4	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-75.8	-41.5	178	-168.6	-171.3	-45.4	-176.6	9	111.4	M1002 L1038 M1039 E1040 K1045 A1046	M1002-R1042 HydrophobicContact CE-CG 3.72Å; M1002-R1042 HydrophobicContact SD-CG 3.8Å; L1038-R1042 WeakPolarHBondContact O-CB 3.31Å; M1039-R1042 WeakPolarHBondContact O-CB 3.3Å; M1039-R1042 PolarHBondContact O-N 2.98Å; M1039-R1042 VanDerWaalsContact SD-CZ 3.56Å; M1039-R1042 PolarHBondContact SD-NH2 3.47Å; M1039-R1042 VanDerWaalsContact SD-NH2 3.42Å; E1040-R1042 VanDerWaalsContact C-N 3.29Å; E1040-R1042 PolarHBondContact O-N 3.34Å; R1042-K1045 PolarHBondContact O-N 3.47Å; R1042-A1046 PolarHBondContact O-N 3.45Å; R1042-A1046 VanDerWaalsContact O-N 3.13Å
1043	E	87.2	Confident	78.8	Confident	76 Å²	76	54.4 Å²	54.4	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-64.3	-43.8	174	-77	-168	-140.4	0	0	111.6	M1039 E1040 K1045 A1046 D1047 R1067 F1068	M1039-E1043 PolarHBondContact O-N 2.89Å; E1040-E1043 PolarHBondContact O-N 2.93Å; E1043-K1045 VanDerWaalsContact C-N 3.33Å; E1043-K1045 PolarHBondContact O-N 2.93Å; E1043-A1046 PolarHBondContact O-N 2.84Å; E1043-A1046 VanDerWaalsContact O-N 3.15Å; E1043-D1047 PolarHBondContact O-N 3.18Å; E1043-R1067 IonicContact OE2-CZ 3.05Å; E1043-R1067 IonicContact OE2-NE 3.9Å; E1043-R1067 PolarHBondContact OE2-NE 3.33Å; E1043-R1067 IonicContact OE2-NH2 3.27Å; E1043-R1067 PolarHBondContact OE2-NH2 2.96Å; E1043-F1068 HydrophobicContact CB-CE1 3.96Å
1044	L	87.4	Confident	78.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-48.1	175	-176.5	72.1	0	0	0	111.4	E1040 W1041 A1046 D1047 Y1048 L1057 I1061 F1068 L1071	E1040-L1044 WeakPolarHBondContact O-CB 3.38Å; E1040-L1044 PolarHBondContact O-N 3.21Å; W1041-L1044 HydrophobicContact CE3-CD2 3.91Å; W1041-L1044 HydrophobicContact CZ3-CD2 3.77Å; L1044-A1046 VanDerWaalsContact C-N 3.32Å; L1044-A1046 PolarHBondContact O-N 3.36Å; L1044-D1047 PolarHBondContact O-N 3.31Å; L1044-Y1048 WeakPolarHBondContact O-CB 3.2Å; L1044-Y1048 PolarHBondContact O-N 2.91Å; L1044-L1057 HydrophobicContact CD1-CD1 4.22Å; L1044-L1057 HydrophobicContact CD2-CD1 3.87Å; L1044-L1057 HydrophobicContact CD2-CG 4.32Å; L1044-L1057 HydrophobicContact CG-CD1 4.1Å; L1044-I1061 HydrophobicContact CD1-CG1 3.83Å; L1044-I1061 HydrophobicContact CD2-CD1 3.82Å; L1044-I1061 HydrophobicContact CD2-CG1 4.03Å; L1044-F1068 HydrophobicContact CB-CE1 4.2Å; L1044-F1068 HydrophobicContact CB-CZ 4.38Å; L1044-F1068 HydrophobicContact CD1-CE2 4.24Å; L1044-F1068 HydrophobicContact CD1-CZ 4.32Å; L1044-L1071 HydrophobicContact CB-CD1 4.14Å; L1044-L1071 HydrophobicContact CD2-CD1 4.05Å
1045	K	86.8	Confident	77.7	Confident	3 Å²	3	57 Å²	57	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-64.2	-33.8	179	-72.2	-177.3	-64	173	0	113.3	W994 L1001 M1002 F1004 W1041 R1042 E1043 Y1048	W994-K1045 HydrophobicContact CH2-CB 4.47Å; W994-K1045 HydrophobicContact CH2-CG 3.66Å; W994-K1045 HydrophobicContact CZ2-CG 4.05Å; W994-K1045 HydrophobicContact CZ3-CB 4.47Å; W994-K1045 HydrophobicContact CZ3-CG 3.99Å; L1001-K1045 HydrophobicContact CD1-CD 4.03Å; L1001-K1045 HydrophobicContact CG-CD 4.35Å; L1001-K1045 WeakPolarHBondContact O-CD 3.37Å; L1001-K1045 WeakPolarHBondContact O-CE 3.41Å; L1001-K1045 PolarHBondContact O-NZ 3.03Å; M1002-K1045 PolarHBondContact O-NZ 3.49Å; F1004-K1045 PolarHBondContact O-NZ 3.25Å; W1041-K1045 HydrophobicContact CD2-CD 4.41Å; W1041-K1045 HydrophobicContact CZ2-CD 3.82Å; W1041-K1045 HydrophobicContact CZ2-CG 4.25Å; W1041-K1045 VanDerWaalsContact O-CE 3.31Å; W1041-K1045 WeakPolarHBondContact O-CE 3.49Å; W1041-K1045 WeakPolarHBondContact O-CG 3.31Å; W1041-K1045 PolarHBondContact O-N 3.43Å; R1042-K1045 PolarHBondContact O-N 3.47Å; E1043-K1045 VanDerWaalsContact C-N 3.33Å; E1043-K1045 PolarHBondContact O-N 2.93Å; K1045-Y1048 PolarHBondContact O-N 3.49Å
1046	A	81.2	Confident	77.2	Confident	60 Å²	60	59.5 Å²	59.5	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-68.3	-39.3	173.4	0	0	0	0	0	112.1	M1002 R1042 E1043 L1044	M1002-A1046 HydrophobicContact CE-CB 4.25Å; R1042-A1046 PolarHBondContact O-N 3.45Å; R1042-A1046 VanDerWaalsContact O-N 3.13Å; E1043-A1046 PolarHBondContact O-N 2.84Å; E1043-A1046 VanDerWaalsContact O-N 3.15Å; L1044-A1046 VanDerWaalsContact C-N 3.32Å; L1044-A1046 PolarHBondContact O-N 3.36Å
1047	D	74.8	Confident	76.8	Confident	67 Å²	67	57.9 Å²	57.9	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-72.3	-21.7	175.9	-82.7	50.8	0	0	0	113.5	E1043 L1044 H1060 R1067	E1043-D1047 PolarHBondContact O-N 3.18Å; L1044-D1047 PolarHBondContact O-N 3.31Å; D1047-H1060 IonicContact OD2-NE2 2.7Å; D1047-R1067 VanDerWaalsContact CG-NH1 3.33Å; D1047-R1067 IonicContact OD1-CZ 3.05Å; D1047-R1067 IonicContact OD1-NH1 3.17Å; D1047-R1067 PolarHBondContact OD1-NH1 2.98Å; D1047-R1067 IonicContact OD1-NH2 2.66Å; D1047-R1067 PolarHBondContact OD1-NH2 2.91Å; D1047-R1067 IonicContact OD2-CZ 3.17Å; D1047-R1067 IonicContact OD2-NH1 3.96Å; D1047-R1067 PolarHBondContact OD2-NH1 3.42Å; D1047-R1067 IonicContact OD2-NH2 3.76Å
1048	Y	69.6	Low	76.3	Confident	5 Å²	5	58.6 Å²	58.6	2%	0.02	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	8.4	-171.7	-116.8	-108.5	0	0	0	117.4	L991 L1044 K1045 T1050 K1051 D1056 L1057 H1060	L991-Y1048 HydrophobicContact CD1-CD1 4.44Å; L1044-Y1048 WeakPolarHBondContact O-CB 3.2Å; L1044-Y1048 PolarHBondContact O-N 2.91Å; K1045-Y1048 PolarHBondContact O-N 3.49Å; Y1048-T1050 PolarHBondContact O-N 2.88Å; Y1048-K1051 HydrophobicContact CD1-CB 3.74Å; Y1048-K1051 HydrophobicContact CD2-CD 4.48Å; Y1048-K1051 HydrophobicContact CE1-CB 3.46Å; Y1048-K1051 VanDerWaalsContact CE1-CB 3.46Å; Y1048-K1051 HydrophobicContact CE1-CD 3.92Å; Y1048-K1051 HydrophobicContact CE1-CG 4.35Å; Y1048-K1051 HydrophobicContact CE2-CD 3.78Å; Y1048-K1051 HydrophobicContact CG-CB 4.45Å; Y1048-K1051 VanDerWaalsContact CZ-CD 3.45Å; Y1048-K1051 PolarHBondContact O-N 2.68Å; Y1048-K1051 WeakPolarHBondContact OH-CD 3.35Å; Y1048-D1056 HydrophobicContact CE1-CB 4.48Å; Y1048-D1056 WeakPolarHBondContact OH-CB 3.35Å; Y1048-D1056 PolarHBondContact OH-O 2.7Å; Y1048-L1057 HydrophobicContact CD1-CD1 3.58Å; Y1048-L1057 HydrophobicContact CD2-CD1 4.34Å; Y1048-L1057 HydrophobicContact CE1-CB 4.29Å; Y1048-L1057 HydrophobicContact CE1-CD1 4.02Å; Y1048-L1057 HydrophobicContact CG-CD1 3.77Å; Y1048-H1060 HydrophobicContact CD2-CB 4.39Å; Y1048-H1060 HydrophobicContact CE2-CB 3.5Å; Y1048-H1060 AromaticContact CE2-CG 3.48Å; Y1048-H1060 VanDerWaalsContact CE2-CG 3.48Å; Y1048-H1060 AromaticContact CE2-ND1 3.56Å
1049	Y	61.3	Low	75.8	Confident	127 Å²	127	60 Å²	60	50%	0.498	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-12.4	-174.5	-168	-106.4	0	0	0	116.1	R996 L1001	R996-Y1049 PolarHBondContact O-OH 2.91Å; L1001-Y1049 HydrophobicContact CD2-CD2 3.58Å; L1001-Y1049 HydrophobicContact CD2-CE2 3.97Å
1050	T	57.6	Low	75.6	Confident	122 Å²	122	57 Å²	57	75%	0.748	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	21.2	-171.4	54.8	0	0	0	0	114.3	Y1048	Y1048-T1050 PolarHBondContact O-N 2.88Å
1051	K	57.4	Low	75.2	Confident	102 Å²	102	56.2 Å²	56.2	44%	0.443	29%	0.293	S	S	.	.			trans	-132.6	147.8	-176	-72.8	-170.3	169.1	-154.8	0	114.1	Y1048	Y1048-K1051 HydrophobicContact CD1-CB 3.74Å; Y1048-K1051 HydrophobicContact CD2-CD 4.48Å; Y1048-K1051 HydrophobicContact CE1-CB 3.46Å; Y1048-K1051 VanDerWaalsContact CE1-CB 3.46Å; Y1048-K1051 HydrophobicContact CE1-CD 3.92Å; Y1048-K1051 HydrophobicContact CE1-CG 4.35Å; Y1048-K1051 HydrophobicContact CE2-CD 3.78Å; Y1048-K1051 HydrophobicContact CG-CB 4.45Å; Y1048-K1051 VanDerWaalsContact CZ-CD 3.45Å; Y1048-K1051 PolarHBondContact O-N 2.68Å; Y1048-K1051 WeakPolarHBondContact OH-CD 3.35Å
1052	N	57.7	Low	74.8	Confident	124 Å²	124	56.6 Å²	56.6	66%	0.663	30%	0.297	S	S	*	.			trans	-109.7	157.9	-177.4	-60.4	-2.5	0	0	0	111.2
1053	G	65.3	Low	74.6	Confident	31 Å²	31	59 Å²	59	32%	0.32	31%	0.309	S	S	.	.			trans	87.2	126.5	173	0	0	0	0	0	116.2	K1055 D1056 L1057	G1053-K1055 VanDerWaalsContact C-N 3.32Å; G1053-K1055 PolarHBondContact O-N 3.19Å; G1053-D1056 PolarHBondContact O-N 3.2Å; G1053-L1057 PolarHBondContact O-N 2.95Å
1054	F	67.9	Low	74.4	Confident	30 Å²	30	59.9 Å²	59.9	13%	0.132	31%	0.31	C	S	.	.	H	α-helix	trans	-56.5	-42.1	173.4	179.1	-79.5	0	0	0	112.2	Y902 L904 F989 D1056 L1057 I1058	Y902-F1054 WeakPolarHBondContact OH-CE1 3.4Å; L904-F1054 HydrophobicContact CD1-CB 3.97Å; L904-F1054 HydrophobicContact CD1-CD1 4.34Å; L904-F1054 HydrophobicContact CD1-CD2 4.09Å; L904-F1054 HydrophobicContact CD1-CG 3.91Å; L904-F1054 HydrophobicContact CD2-CB 4.44Å; L904-F1054 HydrophobicContact CD2-CD1 3.32Å; L904-F1054 HydrophobicContact CD2-CD2 4.12Å; L904-F1054 HydrophobicContact CD2-CE1 3.35Å; L904-F1054 HydrophobicContact CD2-CE2 4.13Å; L904-F1054 HydrophobicContact CD2-CG 3.73Å; L904-F1054 HydrophobicContact CD2-CZ 3.78Å; L904-F1054 HydrophobicContact CG-CD1 4.49Å; F989-F1054 HydrophobicContact CB-CD2 3.9Å; F989-F1054 HydrophobicContact CB-CE2 3.53Å; F989-F1054 HydrophobicContact CG-CE2 4.4Å; F989-F1054 WeakPolarHBondContact O-CD2 3.34Å; F1054-D1056 PolarHBondContact O-N 3.11Å; F1054-L1057 WeakPolarHBondContact O-CB 3.37Å; F1054-L1057 PolarHBondContact O-N 3.42Å; F1054-L1057 VanDerWaalsContact O-N 3.09Å; F1054-I1058 HydrophobicContact CD1-CD1 4.29Å; F1054-I1058 HydrophobicContact CD1-CG1 3.58Å; F1054-I1058 HydrophobicContact CE1-CD1 3.65Å; F1054-I1058 HydrophobicContact CE1-CG1 3.28Å; F1054-I1058 HydrophobicContact CG-CG1 4.45Å; F1054-I1058 HydrophobicContact CZ-CD1 3.78Å; F1054-I1058 HydrophobicContact CZ-CG1 3.96Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.24Å; F1054-I1058 PolarHBondContact O-N 3.47Å
1055	K	70.9	Confident	74.1	Confident	142 Å²	142	63.4 Å²	63.4	62%	0.617	33%	0.326	S	S	*	.	H	α-helix	trans	-55.5	-37.9	179.3	-71	-179.8	178.3	175.7	0	112.1	Y902 G1053 S1059	Y902-K1055 HydrophobicContact CE1-CG 4.27Å; G1053-K1055 VanDerWaalsContact C-N 3.32Å; G1053-K1055 PolarHBondContact O-N 3.19Å; K1055-S1059 WeakPolarHBondContact O-CB 3.26Å; K1055-S1059 PolarHBondContact O-N 3.12Å
1056	D	73.8	Confident	74	Confident	79 Å²	79	71.8 Å²	71.8	42%	0.422	37%	0.365	S	S	.	.	H	α-helix	trans	-72.9	-39.9	178.7	-100.2	36	0	0	0	111.9	Y1048 G1053 F1054 I1058 S1059 H1060	Y1048-D1056 HydrophobicContact CE1-CB 4.48Å; Y1048-D1056 WeakPolarHBondContact OH-CB 3.35Å; Y1048-D1056 PolarHBondContact OH-O 2.7Å; G1053-D1056 PolarHBondContact O-N 3.2Å; F1054-D1056 PolarHBondContact O-N 3.11Å; D1056-I1058 VanDerWaalsContact C-N 3.34Å; D1056-I1058 PolarHBondContact O-N 3.45Å; D1056-S1059 WeakPolarHBondContact O-CB 3.25Å; D1056-S1059 PolarHBondContact O-N 2.94Å; D1056-H1060 WeakPolarHBondContact O-CB 3.33Å; D1056-H1060 PolarHBondContact O-N 2.79Å
1057	L	78.9	Confident	74.1	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-57.6	-46.6	172.3	-167.6	72.9	0	0	0	111.3	F989 L991 W994 L1044 Y1048 G1053 F1054 H1060 I1061	F989-L1057 HydrophobicContact CB-CD2 4.45Å; F989-L1057 HydrophobicContact CD1-CD2 4.14Å; L991-L1057 HydrophobicContact CD2-CD1 4.39Å; L991-L1057 HydrophobicContact CD2-CD2 4.17Å; W994-L1057 HydrophobicContact CH2-CD1 4.13Å; W994-L1057 HydrophobicContact CZ2-CD1 4.48Å; W994-L1057 HydrophobicContact CZ2-CD2 4.39Å; L1044-L1057 HydrophobicContact CD1-CD1 4.22Å; L1044-L1057 HydrophobicContact CD2-CD1 3.87Å; L1044-L1057 HydrophobicContact CD2-CG 4.32Å; L1044-L1057 HydrophobicContact CG-CD1 4.1Å; Y1048-L1057 HydrophobicContact CD1-CD1 3.58Å; Y1048-L1057 HydrophobicContact CD2-CD1 4.34Å; Y1048-L1057 HydrophobicContact CE1-CB 4.29Å; Y1048-L1057 HydrophobicContact CE1-CD1 4.02Å; Y1048-L1057 HydrophobicContact CG-CD1 3.77Å; G1053-L1057 PolarHBondContact O-N 2.95Å; F1054-L1057 WeakPolarHBondContact O-CB 3.37Å; F1054-L1057 PolarHBondContact O-N 3.42Å; F1054-L1057 VanDerWaalsContact O-N 3.09Å; L1057-H1060 PolarHBondContact O-N 2.94Å; L1057-I1061 HydrophobicContact CG-CD1 4.36Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.34Å; L1057-I1061 PolarHBondContact O-N 3.26Å
1058	I	78.8	Confident	74.7	Confident	16 Å²	16	70.7 Å²	70.7	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-47.5	175.1	-62.4	-53.2	0	0	0	111.6	F1054 D1056 H1060 I1061 C1062 I1075 K1079	F1054-I1058 HydrophobicContact CD1-CD1 4.29Å; F1054-I1058 HydrophobicContact CD1-CG1 3.58Å; F1054-I1058 HydrophobicContact CE1-CD1 3.65Å; F1054-I1058 HydrophobicContact CE1-CG1 3.28Å; F1054-I1058 HydrophobicContact CG-CG1 4.45Å; F1054-I1058 HydrophobicContact CZ-CD1 3.78Å; F1054-I1058 HydrophobicContact CZ-CG1 3.96Å; F1054-I1058 WeakPolarHBondContact O-CG1 3.24Å; F1054-I1058 PolarHBondContact O-N 3.47Å; D1056-I1058 VanDerWaalsContact C-N 3.34Å; D1056-I1058 PolarHBondContact O-N 3.45Å; I1058-H1060 VanDerWaalsContact C-N 3.28Å; I1058-H1060 PolarHBondContact O-N 3.24Å; I1058-I1061 PolarHBondContact O-N 2.88Å; I1058-C1062 PolarHBondContact O-N 2.88Å; I1058-I1075 HydrophobicContact CD1-CB 4.32Å; I1058-I1075 HydrophobicContact CD1-CD1 3.35Å; I1058-I1075 HydrophobicContact CD1-CG1 3.67Å; I1058-I1075 HydrophobicContact CD1-CG2 3.82Å; I1058-I1075 HydrophobicContact CG2-CG2 3.84Å; I1058-K1079 HydrophobicContact CG2-CD 4.17Å
1059	S	79	Confident	75.5	Confident	73 Å²	73	73.2 Å²	73.2	51%	0.51	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-41.9	177.2	-176.1	0	0	0	0	111.6	K1055 D1056 K1063	K1055-S1059 WeakPolarHBondContact O-CB 3.26Å; K1055-S1059 PolarHBondContact O-N 3.12Å; D1056-S1059 WeakPolarHBondContact O-CB 3.25Å; D1056-S1059 PolarHBondContact O-N 2.94Å; S1059-K1063 WeakPolarHBondContact O-CB 3.29Å; S1059-K1063 PolarHBondContact O-N 3.43Å
1060	H	82.1	Confident	76.7	Confident	22 Å²	22	68 Å²	68	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-65.5	-48.9	175.8	-175	99.3	0	0	0	112.5	D1047 Y1048 D1056 L1057 I1058 C1062 K1063 Y1064 F1068	D1047-H1060 IonicContact OD2-NE2 2.7Å; Y1048-H1060 HydrophobicContact CD2-CB 4.39Å; Y1048-H1060 HydrophobicContact CE2-CB 3.5Å; Y1048-H1060 AromaticContact CE2-CG 3.48Å; Y1048-H1060 VanDerWaalsContact CE2-CG 3.48Å; Y1048-H1060 AromaticContact CE2-ND1 3.56Å; D1056-H1060 WeakPolarHBondContact O-CB 3.33Å; D1056-H1060 PolarHBondContact O-N 2.79Å; L1057-H1060 PolarHBondContact O-N 2.94Å; I1058-H1060 VanDerWaalsContact C-N 3.28Å; I1058-H1060 PolarHBondContact O-N 3.24Å; H1060-C1062 VanDerWaalsContact C-N 3.34Å; H1060-C1062 PolarHBondContact O-N 3.25Å; H1060-K1063 PolarHBondContact O-N 3.44Å; H1060-Y1064 AromaticContact CD2-CD2 3.85Å; H1060-Y1064 AromaticContact CE1-CD2 3.46Å; H1060-Y1064 VanDerWaalsContact CE1-CD2 3.46Å; H1060-Y1064 WeakPolarHBondContact CE1-CD2 3.32Å; H1060-Y1064 AromaticContact CE1-CE2 3.53Å; H1060-Y1064 AromaticContact CG-CD2 3.86Å; H1060-Y1064 AromaticContact ND1-CD2 3.6Å; H1060-Y1064 AromaticContact ND1-CE2 3.55Å; H1060-Y1064 AromaticContact NE2-CD2 3.59Å; H1060-Y1064 WeakPolarHBondContact O-CD2 3.35Å; H1060-Y1064 PolarHBondContact O-N 3.4Å; H1060-F1068 AromaticContact CD2-CE2 3.81Å; H1060-F1068 AromaticContact NE2-CE2 3.53Å
1061	I	83.6	Confident	78.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-46.7	178.1	-67.2	163.7	0	0	0	110.7	L1044 L1057 I1058 Y1064 K1065 F1068 L1071 N1072 I1075	L1044-I1061 HydrophobicContact CD1-CG1 3.83Å; L1044-I1061 HydrophobicContact CD2-CD1 3.82Å; L1044-I1061 HydrophobicContact CD2-CG1 4.03Å; L1057-I1061 HydrophobicContact CG-CD1 4.36Å; L1057-I1061 WeakPolarHBondContact O-CG1 3.34Å; L1057-I1061 PolarHBondContact O-N 3.26Å; I1058-I1061 PolarHBondContact O-N 2.88Å; I1061-Y1064 CarbonylContact O-C 3.09Å; I1061-Y1064 PolarHBondContact O-N 2.86Å; I1061-K1065 WeakPolarHBondContact O-CA 3.42Å; I1061-K1065 PolarHBondContact O-N 2.93Å; I1061-F1068 HydrophobicContact CG2-CB 4.36Å; I1061-L1071 HydrophobicContact CG2-CB 3.99Å; I1061-N1072 HydrophobicContact CG2-CB 3.89Å; I1061-I1075 HydrophobicContact CB-CG1 4.45Å; I1061-I1075 HydrophobicContact CD1-CD1 4.18Å; I1061-I1075 HydrophobicContact CD1-CG1 3.74Å; I1061-I1075 HydrophobicContact CG2-CG1 4.03Å
1062	C	81.3	Confident	79.6	Confident	11 Å²	11	58 Å²	58	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-68.2	-36.6	178.6	-67.4	0	0	0	0	112.8	D684 I1058 H1060 K1065 N1072	D684-C1062 HydrophobicContact CB-CB 4.47Å; I1058-C1062 PolarHBondContact O-N 2.88Å; H1060-C1062 VanDerWaalsContact C-N 3.34Å; H1060-C1062 PolarHBondContact O-N 3.25Å; C1062-K1065 WeakPolarHBondContact O-CB 3.41Å; C1062-K1065 WeakPolarHBondContact O-CD 3.2Å; C1062-K1065 VanDerWaalsContact O-CG 3.29Å; C1062-K1065 WeakPolarHBondContact O-CG 3.24Å; C1062-N1072 PolarHBondContact SG-OD1 3.12Å; C1062-N1072 VanDerWaalsContact SG-OD1 3.35Å
1063	K	83.4	Confident	80.9	Confident	148 Å²	148	54.3 Å²	54.3	64%	0.643	27%	0.265	S	S	*	.	H	α-helix	trans	-64.1	-39	174.9	-177.3	-178.9	177.8	-164.4	0	112.2	S1059 H1060	S1059-K1063 WeakPolarHBondContact O-CB 3.29Å; S1059-K1063 PolarHBondContact O-N 3.43Å; H1060-K1063 PolarHBondContact O-N 3.44Å
1064	Y	83.2	Confident	82.1	Confident	96 Å²	96	52.9 Å²	52.9	38%	0.376	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	29.1	-178.4	-62.1	-77	0	0	0	112.9	H1060 I1061 Q1066 R1067 F1068	H1060-Y1064 AromaticContact CD2-CD2 3.85Å; H1060-Y1064 AromaticContact CE1-CD2 3.46Å; H1060-Y1064 VanDerWaalsContact CE1-CD2 3.46Å; H1060-Y1064 WeakPolarHBondContact CE1-CD2 3.32Å; H1060-Y1064 AromaticContact CE1-CE2 3.53Å; H1060-Y1064 AromaticContact CG-CD2 3.86Å; H1060-Y1064 AromaticContact ND1-CD2 3.6Å; H1060-Y1064 AromaticContact ND1-CE2 3.55Å; H1060-Y1064 AromaticContact NE2-CD2 3.59Å; H1060-Y1064 WeakPolarHBondContact O-CD2 3.35Å; H1060-Y1064 PolarHBondContact O-N 3.4Å; I1061-Y1064 CarbonylContact O-C 3.09Å; I1061-Y1064 PolarHBondContact O-N 2.86Å; Y1064-Q1066 PolarHBondContact O-N 3.5Å; Y1064-R1067 PolarHBondContact O-N 3.12Å; Y1064-F1068 PolarHBondContact O-N 3.48Å; Y1064-F1068 VanDerWaalsContact O-N 3.09Å
1065	K	81.5	Confident	83	Confident	73 Å²	73	51.4 Å²	51.4	32%	0.317	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-12.1	-176.3	61.8	-175.6	164.8	-174.4	0	117.2	D684 I1061 C1062 P1069 N1072	D684-K1065 IonicContact OD1-NZ 3.69Å; D684-K1065 PolarHBondContact OD1-NZ 3.42Å; D684-K1065 IonicContact OD2-NZ 2.68Å; D684-K1065 PolarHBondContact OD2-NZ 2.85Å; I1061-K1065 WeakPolarHBondContact O-CA 3.42Å; I1061-K1065 PolarHBondContact O-N 2.93Å; C1062-K1065 WeakPolarHBondContact O-CB 3.41Å; C1062-K1065 WeakPolarHBondContact O-CD 3.2Å; C1062-K1065 VanDerWaalsContact O-CG 3.29Å; C1062-K1065 WeakPolarHBondContact O-CG 3.24Å; K1065-P1069 WeakPolarHBondContact O-CA 3.35Å; K1065-N1072 HydrophobicContact CB-CB 4Å
1066	Q	84.3	Confident	83.7	Confident	180 Å²	180	46.9 Å²	46.9	84%	0.841	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-23.8	171.4	-61.4	-66.9	-6.5	0	0	113.1	Y1064	Y1064-Q1066 PolarHBondContact O-N 3.5Å
1067	R	84	Confident	84.4	Confident	103 Å²	103	43.7 Å²	43.7	39%	0.389	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-26.8	172.6	-177.5	175.7	173.2	-149.9	-7.8	111.9	E1043 D1047 Y1064 P1069	E1043-R1067 IonicContact OE2-CZ 3.05Å; E1043-R1067 IonicContact OE2-NE 3.9Å; E1043-R1067 PolarHBondContact OE2-NE 3.33Å; E1043-R1067 IonicContact OE2-NH2 3.27Å; E1043-R1067 PolarHBondContact OE2-NH2 2.96Å; D1047-R1067 VanDerWaalsContact CG-NH1 3.33Å; D1047-R1067 IonicContact OD1-CZ 3.05Å; D1047-R1067 IonicContact OD1-NH1 3.17Å; D1047-R1067 PolarHBondContact OD1-NH1 2.98Å; D1047-R1067 IonicContact OD1-NH2 2.66Å; D1047-R1067 PolarHBondContact OD1-NH2 2.91Å; D1047-R1067 IonicContact OD2-CZ 3.17Å; D1047-R1067 IonicContact OD2-NH1 3.96Å; D1047-R1067 PolarHBondContact OD2-NH1 3.42Å; D1047-R1067 IonicContact OD2-NH2 3.76Å; Y1064-R1067 PolarHBondContact O-N 3.12Å; R1067-P1069 WeakPolarHBondContact O-CD 3.35Å
1068	F	87	Confident	84.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.211	C	C	.	.			trans	-119.8	53.9	-178.6	-56.1	-55.4	0	0	0	113	E1040 E1043 L1044 H1060 I1061 Y1064 L1071 N1072	E1040-F1068 HydrophobicContact CB-CD1 4.19Å; E1040-F1068 HydrophobicContact CG-CD1 4.43Å; E1040-F1068 VanDerWaalsContact OE2-CA 3.23Å; E1040-F1068 WeakPolarHBondContact OE2-CA 3.36Å; E1043-F1068 HydrophobicContact CB-CE1 3.96Å; L1044-F1068 HydrophobicContact CB-CE1 4.2Å; L1044-F1068 HydrophobicContact CB-CZ 4.38Å; L1044-F1068 HydrophobicContact CD1-CE2 4.24Å; L1044-F1068 HydrophobicContact CD1-CZ 4.32Å; H1060-F1068 AromaticContact CD2-CE2 3.81Å; H1060-F1068 AromaticContact NE2-CE2 3.53Å; I1061-F1068 HydrophobicContact CG2-CB 4.36Å; Y1064-F1068 PolarHBondContact O-N 3.48Å; Y1064-F1068 VanDerWaalsContact O-N 3.09Å; F1068-L1071 HydrophobicContact CB-CB 4.15Å; F1068-L1071 HydrophobicContact CB-CD1 4.13Å; F1068-L1071 HydrophobicContact CD1-CD1 3.92Å; F1068-L1071 HydrophobicContact CG-CD1 4.22Å; F1068-N1072 WeakPolarHBondContact O-CB 3.09Å; F1068-N1072 PolarHBondContact O-N 3.06Å
1069	P	86.7	Confident	85.2	Confident	58 Å²	58	44.9 Å²	44.9	38%	0.377	21%	0.213	S	C	.	.	H	α-helix	trans	-67.7	-37.3	-172.8	27.6	-35.6	0	0	0	114.2	E1040 K1065 R1067 K1073	E1040-P1069 VanDerWaalsContact OE1-CD 3.26Å; E1040-P1069 WeakPolarHBondContact OE1-CD 3.48Å; E1040-P1069 WeakPolarHBondContact OE1-CG 3.26Å; K1065-P1069 WeakPolarHBondContact O-CA 3.35Å; R1067-P1069 WeakPolarHBondContact O-CD 3.35Å; P1069-K1073 WeakPolarHBondContact O-CG 3.3Å; P1069-K1073 PolarHBondContact O-N 2.97Å
1070	L	87	Confident	85.7	Confident	18 Å²	18	41.4 Å²	41.4	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-75.6	-43	178.6	-61.6	173	0	0	0	110.9	V1026 P1033 L1037 E1040 N1072 K1073 I1074	V1026-L1070 HydrophobicContact CG2-CD2 3.8Å; P1033-L1070 WeakPolarHBondContact O-CD1 3.23Å; L1037-L1070 HydrophobicContact CB-CB 4.5Å; L1037-L1070 HydrophobicContact CB-CD1 4.02Å; L1037-L1070 HydrophobicContact CD1-CB 3.97Å; E1040-L1070 VanDerWaalsContact OE1-CB 3.23Å; E1040-L1070 WeakPolarHBondContact OE1-CB 3.36Å; E1040-L1070 VanDerWaalsContact OE1-CG 3.28Å; E1040-L1070 WeakPolarHBondContact OE1-CG 3.37Å; E1040-L1070 PolarHBondContact OE1-N 3.38Å; E1040-L1070 PolarHBondContact OE2-N 2.65Å; L1070-N1072 VanDerWaalsContact C-N 3.33Å; L1070-N1072 PolarHBondContact O-N 3.43Å; L1070-K1073 PolarHBondContact O-N 3.24Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.14Å; L1070-I1074 PolarHBondContact O-N 2.89Å
1071	L	88.3	Confident	86.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-44.5	171.7	-70.8	173.9	0	0	0	111.6	M1009 L1037 E1040 W1041 L1044 I1061 F1068 K1073 I1074 I1075	M1009-L1071 HydrophobicContact CE-CD2 3.47Å; M1009-L1071 VanDerWaalsContact CE-CD2 3.47Å; L1037-L1071 HydrophobicContact CD1-CD2 3.75Å; L1037-L1071 HydrophobicContact CD1-CG 4.01Å; E1040-L1071 HydrophobicContact CB-CD1 3.76Å; E1040-L1071 HydrophobicContact CB-CG 3.96Å; E1040-L1071 WeakPolarHBondContact OE2-CG 3.5Å; E1040-L1071 PolarHBondContact OE2-N 3.34Å; W1041-L1071 HydrophobicContact CE3-CD2 4.13Å; L1044-L1071 HydrophobicContact CB-CD1 4.14Å; L1044-L1071 HydrophobicContact CD2-CD1 4.05Å; I1061-L1071 HydrophobicContact CG2-CB 3.99Å; F1068-L1071 HydrophobicContact CB-CB 4.15Å; F1068-L1071 HydrophobicContact CB-CD1 4.13Å; F1068-L1071 HydrophobicContact CD1-CD1 3.92Å; F1068-L1071 HydrophobicContact CG-CD1 4.22Å; L1071-K1073 VanDerWaalsContact C-N 3.3Å; L1071-K1073 PolarHBondContact O-N 2.95Å; L1071-I1074 HydrophobicContact CD2-CD1 4.47Å; L1071-I1074 WeakPolarHBondContact O-CB 3.47Å; L1071-I1074 PolarHBondContact O-N 3.48Å; L1071-I1074 VanDerWaalsContact O-N 3.13Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.29Å; L1071-I1075 PolarHBondContact O-N 2.94Å
1072	N	87.3	Confident	86.4	Confident	13 Å²	13	40.4 Å²	40.4	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-34.4	178.4	-179.7	77.6	0	0	0	112.4	I1061 C1062 K1065 F1068 L1070 Q1076	I1061-N1072 HydrophobicContact CG2-CB 3.89Å; C1062-N1072 PolarHBondContact SG-OD1 3.12Å; C1062-N1072 VanDerWaalsContact SG-OD1 3.35Å; K1065-N1072 HydrophobicContact CB-CB 4Å; F1068-N1072 WeakPolarHBondContact O-CB 3.09Å; F1068-N1072 PolarHBondContact O-N 3.06Å; L1070-N1072 VanDerWaalsContact C-N 3.33Å; L1070-N1072 PolarHBondContact O-N 3.43Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.01Å; N1072-Q1076 VanDerWaalsContact O-CG 3.3Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.32Å; N1072-Q1076 PolarHBondContact O-N 3.38Å
1073	K	85.6	Confident	86.7	Confident	47 Å²	47	40.4 Å²	40.4	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-42.3	171.2	-72.1	177	-179.5	-179.8	0	112.2	F1022 D1025 P1069 L1070 L1071 Q1076 V1077	F1022-K1073 HydrophobicContact CD2-CB 4.16Å; F1022-K1073 HydrophobicContact CD2-CD 4.15Å; F1022-K1073 HydrophobicContact CE2-CB 3.7Å; F1022-K1073 HydrophobicContact CE2-CD 4.04Å; D1025-K1073 PolarHBondContact O-NZ 2.92Å; P1069-K1073 WeakPolarHBondContact O-CG 3.3Å; P1069-K1073 PolarHBondContact O-N 2.97Å; L1070-K1073 PolarHBondContact O-N 3.24Å; L1071-K1073 VanDerWaalsContact C-N 3.3Å; L1071-K1073 PolarHBondContact O-N 2.95Å; K1073-Q1076 PolarHBondContact O-N 2.74Å; K1073-V1077 PolarHBondContact O-N 3.42Å
1074	I	89.2	Confident	86.8	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-51.9	174	-66.5	164.8	0	0	0	109.8	F989 M1009 I1012 L1016 L1037 L1070 L1071 Q1076 V1077 L1078	F989-I1074 HydrophobicContact CE2-CG2 4.16Å; F989-I1074 HydrophobicContact CZ-CG2 3.92Å; M1009-I1074 HydrophobicContact CE-CD1 3.63Å; I1012-I1074 HydrophobicContact CG2-CD1 4.17Å; I1012-I1074 HydrophobicContact CG2-CG1 4.12Å; I1012-I1074 HydrophobicContact CG2-CG2 3.69Å; L1016-I1074 HydrophobicContact CD1-CB 4.17Å; L1016-I1074 HydrophobicContact CD1-CG1 3.54Å; L1016-I1074 HydrophobicContact CD1-CG2 4.4Å; L1037-I1074 HydrophobicContact CD1-CD1 3.63Å; L1037-I1074 HydrophobicContact CD2-CD1 3.92Å; L1037-I1074 HydrophobicContact CG-CD1 4.45Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.14Å; L1070-I1074 PolarHBondContact O-N 2.89Å; L1071-I1074 HydrophobicContact CD2-CD1 4.47Å; L1071-I1074 WeakPolarHBondContact O-CB 3.47Å; L1071-I1074 PolarHBondContact O-N 3.48Å; L1071-I1074 VanDerWaalsContact O-N 3.13Å; I1074-Q1076 VanDerWaalsContact C-N 3.32Å; I1074-Q1076 PolarHBondContact O-N 3.23Å; I1074-V1077 PolarHBondContact O-N 2.78Å; I1074-V1077 VanDerWaalsContact O-N 3.09Å; I1074-L1078 HydrophobicContact CG2-CD1 3.92Å; I1074-L1078 HydrophobicContact CG2-CG 4.23Å; I1074-L1078 WeakPolarHBondContact O-CG 3.44Å; I1074-L1078 PolarHBondContact O-N 2.82Å
1075	I	87.1	Confident	86.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.4	-38.7	179.9	-70.4	-30.2	0	0	0	112.6	F989 I1058 I1061 L1071 V1077 L1078 K1079	F989-I1075 HydrophobicContact CD1-CD1 4.47Å; F989-I1075 HydrophobicContact CE1-CD1 4.09Å; F989-I1075 HydrophobicContact CZ-CD1 4.18Å; I1058-I1075 HydrophobicContact CD1-CB 4.32Å; I1058-I1075 HydrophobicContact CD1-CD1 3.35Å; I1058-I1075 HydrophobicContact CD1-CG1 3.67Å; I1058-I1075 HydrophobicContact CD1-CG2 3.82Å; I1058-I1075 HydrophobicContact CG2-CG2 3.84Å; I1061-I1075 HydrophobicContact CB-CG1 4.45Å; I1061-I1075 HydrophobicContact CD1-CD1 4.18Å; I1061-I1075 HydrophobicContact CD1-CG1 3.74Å; I1061-I1075 HydrophobicContact CG2-CG1 4.03Å; L1071-I1075 WeakPolarHBondContact O-CG1 3.29Å; L1071-I1075 PolarHBondContact O-N 2.94Å; I1075-V1077 VanDerWaalsContact C-N 3.34Å; I1075-V1077 PolarHBondContact O-N 3.48Å; I1075-L1078 HydrophobicContact CD1-CD1 4.09Å; I1075-L1078 PolarHBondContact O-N 2.86Å; I1075-K1079 HydrophobicContact CG2-CD 3.78Å; I1075-K1079 HydrophobicContact CG2-CG 4.38Å; I1075-K1079 WeakPolarHBondContact O-CB 3.49Å; I1075-K1079 VanDerWaalsContact O-CG 3.3Å; I1075-K1079 WeakPolarHBondContact O-CG 3.25Å; I1075-K1079 PolarHBondContact O-N 3.01Å
1076	Q	85.8	Confident	87	Confident	47 Å²	47	27.5 Å²	27.5	22%	0.22	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-39	175.2	-78.4	174.3	-5.7	0	0	112.6	P656 N1072 K1073 I1074 V1080	P656-Q1076 HydrophobicContact CG-CB 4.28Å; P656-Q1076 HydrophobicContact CG-CG 4.41Å; N1072-Q1076 PolarHBondContact ND2-NE2 3.01Å; N1072-Q1076 VanDerWaalsContact O-CG 3.3Å; N1072-Q1076 WeakPolarHBondContact O-CG 3.32Å; N1072-Q1076 PolarHBondContact O-N 3.38Å; K1073-Q1076 PolarHBondContact O-N 2.74Å; I1074-Q1076 VanDerWaalsContact C-N 3.32Å; I1074-Q1076 PolarHBondContact O-N 3.23Å; Q1076-V1080 WeakPolarHBondContact O-CG2 3.42Å
1077	V	88.2	Confident	87.2	Confident	12 Å²	12	19.7 Å²	19.7	7%	0.073	10%	0.1	C	C	.	.	H	α-helix	trans	-69.1	-47.6	174.2	174.3	0	0	0	0	110.9	V727 L1016 K1073 I1074 I1075 K1079 V1080 L1081	V727-V1077 HydrophobicContact CB-CG1 4.12Å; V727-V1077 HydrophobicContact CG1-CG1 4.37Å; V727-V1077 HydrophobicContact CG2-CG1 4.11Å; L1016-V1077 HydrophobicContact CD2-CB 4.14Å; L1016-V1077 HydrophobicContact CD2-CG1 3.87Å; L1016-V1077 HydrophobicContact CD2-CG2 4.02Å; K1073-V1077 PolarHBondContact O-N 3.42Å; I1074-V1077 PolarHBondContact O-N 2.78Å; I1074-V1077 VanDerWaalsContact O-N 3.09Å; I1075-V1077 VanDerWaalsContact C-N 3.34Å; I1075-V1077 PolarHBondContact O-N 3.48Å; V1077-K1079 VanDerWaalsContact C-N 3.33Å; V1077-K1079 PolarHBondContact O-N 3.25Å; V1077-V1080 PolarHBondContact O-N 2.84Å; V1077-L1081 PolarHBondContact O-N 3.45Å
1078	L	88.5	Confident	87.4	Confident	12 Å²	12	14.8 Å²	14.8	6%	0.063	8%	0.082	C	C	.	.	H	α-helix	trans	-59.1	-40.3	-179.1	-65.5	-179.1	0	0	0	113.1	V905 F982 C986 F989 I1074 I1075 V1080 L1081	V905-L1078 HydrophobicContact CG1-CD2 4.29Å; V905-L1078 WeakPolarHBondContact CG2-O 3.11Å; F982-L1078 HydrophobicContact CE1-CD2 3.62Å; F982-L1078 HydrophobicContact CZ-CD2 3.78Å; C986-L1078 WeakPolarHBondContact SG-CD2 3.43Å; F989-L1078 HydrophobicContact CD2-CD1 3.88Å; F989-L1078 HydrophobicContact CE2-CD1 3.6Å; F989-L1078 HydrophobicContact CZ-CD1 4.38Å; I1074-L1078 HydrophobicContact CG2-CD1 3.92Å; I1074-L1078 HydrophobicContact CG2-CG 4.23Å; I1074-L1078 WeakPolarHBondContact O-CG 3.44Å; I1074-L1078 PolarHBondContact O-N 2.82Å; I1075-L1078 HydrophobicContact CD1-CD1 4.09Å; I1075-L1078 PolarHBondContact O-N 2.86Å; L1078-V1080 PolarHBondContact O-N 3.44Å; L1078-L1081 HydrophobicContact CD2-CD1 4.09Å; L1078-L1081 PolarHBondContact O-N 2.94Å
1079	K	86.3	Confident	87.3	Confident	28 Å²	28	17.1 Å²	17.1	12%	0.122	9%	0.093	C	C	.	.	H	α-helix	trans	-61.5	-28.7	175.4	-74	167.5	65.8	176.7	0	112.6	Q679 D684 G685 P687 I1058 I1075 V1077	Q679-K1079 PolarHBondContact NE2-O 2.89Å; Q679-K1079 VanDerWaalsContact NE2-O 3.07Å; D684-K1079 PolarHBondContact O-NZ 3.39Å; G685-K1079 WeakPolarHBondContact O-CE 3.43Å; G685-K1079 PolarHBondContact O-NZ 3.01Å; P687-K1079 WeakPolarHBondContact CB-O 3.34Å; P687-K1079 VanDerWaalsContact CG-O 3.22Å; P687-K1079 WeakPolarHBondContact CG-O 3.31Å; I1058-K1079 HydrophobicContact CG2-CD 4.17Å; I1075-K1079 HydrophobicContact CG2-CD 3.78Å; I1075-K1079 HydrophobicContact CG2-CG 4.38Å; I1075-K1079 WeakPolarHBondContact O-CB 3.49Å; I1075-K1079 VanDerWaalsContact O-CG 3.3Å; I1075-K1079 WeakPolarHBondContact O-CG 3.25Å; I1075-K1079 PolarHBondContact O-N 3.01Å; V1077-K1079 VanDerWaalsContact C-N 3.33Å; V1077-K1079 PolarHBondContact O-N 3.25Å
1080	V	89.2	Confident	87.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-92.1	-5.2	-174.4	172	0	0	0	0	112.6	S659 Q679 T681 V727 Q1076 V1077 L1078	S659-V1080 WeakPolarHBondContact CB-O 3.25Å; S659-V1080 PolarHBondContact OG-O 2.81Å; Q679-V1080 VanDerWaalsContact CD-O 3.32Å; Q679-V1080 PolarHBondContact NE2-O 2.89Å; T681-V1080 HydrophobicContact CG2-CG2 3.56Å; V727-V1080 HydrophobicContact CG2-CG1 4.13Å; Q1076-V1080 WeakPolarHBondContact O-CG2 3.42Å; V1077-V1080 PolarHBondContact O-N 2.84Å; L1078-V1080 PolarHBondContact O-N 3.44Å
1081	L	90.9	Very high	87.5	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-72.4	142.5	178.7	-66.1	179.2	0	0	0	113	Q679 V727 L756 L758 V905 F982 V1077 L1078 T1083	Q679-L1081 PolarHBondContact NE2-O 3.25Å; Q679-L1081 PolarHBondContact OE1-O 3.25Å; V727-L1081 HydrophobicContact CG2-CD2 4.4Å; L756-L1081 HydrophobicContact CB-CD2 4.28Å; L756-L1081 HydrophobicContact CD1-CD1 3.96Å; L756-L1081 HydrophobicContact CD1-CD2 3.87Å; L758-L1081 HydrophobicContact CD1-CB 4.47Å; L758-L1081 HydrophobicContact CD1-CD1 4.42Å; L758-L1081 HydrophobicContact CD1-CD2 4.24Å; L758-L1081 HydrophobicContact CD2-CB 4.13Å; V905-L1081 HydrophobicContact CG1-CD1 4.02Å; V905-L1081 HydrophobicContact CG2-CB 4.13Å; V905-L1081 HydrophobicContact CG2-CD1 4.11Å; F982-L1081 HydrophobicContact CE1-CD1 3.91Å; V1077-L1081 PolarHBondContact O-N 3.45Å; L1078-L1081 HydrophobicContact CD2-CD1 4.09Å; L1078-L1081 PolarHBondContact O-N 2.94Å; L1081-T1083 PolarHBondContact O-N 3.03Å
1082	P	89.3	Confident	87.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-76.4	95.9	-176	29.9	-33	0	0	0	112.1	I661 Q679 L758 F760	I661-P1082 HydrophobicContact CD1-CB 3.89Å; I661-P1082 HydrophobicContact CG1-CB 3.61Å; Q679-P1082 VanDerWaalsContact OE1-CA 3.28Å; L758-P1082 HydrophobicContact CB-CG 4.41Å; F760-P1082 HydrophobicContact CD2-CB 4.15Å; F760-P1082 HydrophobicContact CE2-CB 4.06Å
1083	T	87.2	Confident	87.3	Confident	12 Å²	12	22.6 Å²	22.6	7%	0.074	11%	0.112	C	C	.	.			trans	-119	-23.9	177.9	64	0	0	0	0	114.4	L758 F898 L903 V905 V908 L1081	L758-T1083 HydrophobicContact CD2-CG2 3.89Å; F898-T1083 WeakPolarHBondContact CD1-O 3.43Å; L903-T1083 WeakPolarHBondContact O-CB 3.17Å; L903-T1083 PolarHBondContact O-OG1 3.42Å; V905-T1083 HydrophobicContact CG2-CG2 3.89Å; V908-T1083 HydrophobicContact CG2-CG2 3.79Å; L1081-T1083 PolarHBondContact O-N 3.03Å
1084	S	85.3	Confident	87.5	Confident	22 Å²	22	20.4 Å²	20.4	15%	0.154	10%	0.103	C	C	.	.			trans	-109.9	140	-179.7	175.3	0	0	0	0	111.7	F760 G900	F760-S1084 WeakPolarHBondContact CE2-O 3.37Å; F760-S1084 WeakPolarHBondContact CZ-O 3.49Å; G900-S1084 WeakPolarHBondContact O-CB 3.37Å; G900-S1084 PolarHBondContact O-OG 2.64Å
1085	T	85.1	Confident	87.4	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.			trans	-109.3	2.8	-176.1	75.2	0	0	0	0	114.9	F760 M761 V762 F898 Q899 C1087 C1088 E1089	F760-T1085 HydrophobicContact CD1-CG2 3.84Å; F760-T1085 HydrophobicContact CD2-CG2 3.97Å; F760-T1085 HydrophobicContact CE1-CG2 3.51Å; F760-T1085 HydrophobicContact CE2-CG2 3.67Å; F760-T1085 HydrophobicContact CG-CG2 4.06Å; F760-T1085 HydrophobicContact CZ-CG2 3.42Å; F760-T1085 VanDerWaalsContact CZ-CG2 3.42Å; M761-T1085 WeakPolarHBondContact O-CG2 3.46Å; M761-T1085 PolarHBondContact O-OG1 3.29Å; V762-T1085 HydrophobicContact CG2-CG2 4.18Å; F898-T1085 HydrophobicContact CB-CG2 4.13Å; F898-T1085 PolarHBondContact O-N 3.16Å; F898-T1085 PolarHBondContact O-OG1 3.49Å; Q899-T1085 WeakPolarHBondContact CA-OG1 3.29Å; T1085-C1087 VanDerWaalsContact C-N 3.29Å; T1085-C1087 PolarHBondContact O-N 3Å; T1085-C1087 VanDerWaalsContact O-N 3.15Å; T1085-C1088 WeakPolarHBondContact O-CA 3.46Å; T1085-C1088 WeakPolarHBondContact O-CB 3.22Å; T1085-C1088 PolarHBondContact O-N 3.02Å; T1085-E1089 PolarHBondContact O-N 2.78Å
1086	V	85.6	Confident	87.2	Confident	23 Å²	23	25 Å²	25	14%	0.139	12%	0.124	C	C	.	.	H	α-helix	trans	-48.4	-44.6	-177.9	171.8	0	0	0	0	113.6	Q899 E901 C1088 E1089 K1090	Q899-V1086 WeakPolarHBondContact O-CG2 3.49Å; E901-V1086 HydrophobicContact CG-CG2 4.25Å; V1086-C1088 VanDerWaalsContact C-N 3.34Å; V1086-C1088 PolarHBondContact O-N 3.24Å; V1086-E1089 PolarHBondContact O-N 3.38Å; V1086-K1090 HydrophobicContact CG1-CD 4.03Å; V1086-K1090 WeakPolarHBondContact O-CB 3.36Å; V1086-K1090 VanDerWaalsContact O-CG 3.31Å; V1086-K1090 WeakPolarHBondContact O-CG 3.19Å; V1086-K1090 PolarHBondContact O-N 3.06Å
1087	C	86.8	Confident	87.2	Confident	17 Å²	17	28 Å²	28	12%	0.115	13%	0.134	C	C	.	.	H	α-helix	trans	-67.4	-36	-179.8	-173.7	0	0	0	0	112	T689 T1085 K1090 G1091 V1119	T689-C1087 HydrophobicContact CG2-CB 3.78Å; T689-C1087 PolarHBondContact O-SG 3.42Å; T1085-C1087 VanDerWaalsContact C-N 3.29Å; T1085-C1087 PolarHBondContact O-N 3Å; T1085-C1087 VanDerWaalsContact O-N 3.15Å; C1087-K1090 PolarHBondContact O-N 3.02Å; C1087-G1091 PolarHBondContact O-N 3.27Å; C1087-V1119 VanDerWaalsContact SG-CG1 3.55Å
1088	C	88.3	Confident	87	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-73.4	-35.3	177.8	-51.1	0	0	0	0	111.9	Y677 V762 T1085 V1086 G1091 R1092	Y677-C1088 HydrophobicContact CE2-CB 4.03Å; V762-C1088 HydrophobicContact CG1-CB 3.75Å; V762-C1088 HydrophobicContact CG2-CB 4.12Å; T1085-C1088 WeakPolarHBondContact O-CA 3.46Å; T1085-C1088 WeakPolarHBondContact O-CB 3.22Å; T1085-C1088 PolarHBondContact O-N 3.02Å; V1086-C1088 VanDerWaalsContact C-N 3.34Å; V1086-C1088 PolarHBondContact O-N 3.24Å; C1088-G1091 PolarHBondContact O-N 3.05Å; C1088-R1092 WeakPolarHBondContact O-CB 3.18Å; C1088-R1092 PolarHBondContact O-N 3.24Å
1089	E	86.1	Confident	86.6	Confident	49 Å²	49	30 Å²	30	23%	0.229	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-47	171.7	-159.6	-132.9	130.5	0	0	111.2	V762 T1085 V1086 G1091 R1092 N1093	V762-E1089 HydrophobicContact CG1-CB 4.23Å; T1085-E1089 PolarHBondContact O-N 2.78Å; V1086-E1089 PolarHBondContact O-N 3.38Å; E1089-G1091 VanDerWaalsContact C-N 3.31Å; E1089-G1091 PolarHBondContact O-N 3.27Å; E1089-R1092 PolarHBondContact O-N 3.25Å; E1089-N1093 WeakPolarHBondContact O-CB 3.48Å; E1089-N1093 PolarHBondContact O-N 3.25Å; E1089-N1093 PolarHBondContact O-ND2 3.21Å; E1089-N1093 PolarHBondContact OE1-ND2 3.28Å
1090	K	87.4	Confident	86.1	Confident	116 Å²	116	35.8 Å²	35.8	50%	0.504	16%	0.164	S	C	.	.	H	α-helix	trans	-54.5	-45.4	171.5	-73.9	171.4	-178.2	173.2	0	111.7	V1086 C1087 N1093 A1094	V1086-K1090 HydrophobicContact CG1-CD 4.03Å; V1086-K1090 WeakPolarHBondContact O-CB 3.36Å; V1086-K1090 VanDerWaalsContact O-CG 3.31Å; V1086-K1090 WeakPolarHBondContact O-CG 3.19Å; V1086-K1090 PolarHBondContact O-N 3.06Å; C1087-K1090 PolarHBondContact O-N 3.02Å; K1090-N1093 PolarHBondContact O-N 2.92Å; K1090-A1094 WeakPolarHBondContact O-CB 3.48Å; K1090-A1094 PolarHBondContact O-N 2.9Å
1091	G	89.6	Confident	85.4	Confident	2 Å²	2	39 Å²	39	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-42	176.8	0	0	0	0	0	114.2	C1087 C1088 E1089 A1094 L1095	C1087-G1091 PolarHBondContact O-N 3.27Å; C1088-G1091 PolarHBondContact O-N 3.05Å; E1089-G1091 VanDerWaalsContact C-N 3.31Å; E1089-G1091 PolarHBondContact O-N 3.27Å; G1091-A1094 PolarHBondContact O-N 3.49Å; G1091-L1095 WeakPolarHBondContact O-CB 3.39Å; G1091-L1095 PolarHBondContact O-N 2.86Å
1092	R	85.9	Confident	84.4	Confident	23 Å²	23	39.6 Å²	39.6	9%	0.087	18%	0.184	C	C	.	.	H	α-helix	trans	-65.3	-43.5	174.2	-170.9	179.1	-58.3	117.9	1.2	111.9	D663 C1088 E1089 A1094 L1095 Q1096	D663-R1092 IonicContact OD1-CZ 2.82Å; D663-R1092 IonicContact OD1-NH2 3.79Å; D663-R1092 PolarHBondContact OD1-NH2 3.01Å; D663-R1092 IonicContact OD2-CZ 3.83Å; D663-R1092 IonicContact OD2-NE 3.49Å; D663-R1092 IonicContact OD2-NH2 3.28Å; D663-R1092 PolarHBondContact OD2-NH2 3.08Å; C1088-R1092 WeakPolarHBondContact O-CB 3.18Å; C1088-R1092 PolarHBondContact O-N 3.24Å; E1089-R1092 PolarHBondContact O-N 3.25Å; R1092-A1094 VanDerWaalsContact C-N 3.32Å; R1092-A1094 PolarHBondContact O-N 3Å; R1092-L1095 PolarHBondContact O-N 3.43Å; R1092-Q1096 WeakPolarHBondContact O-CG 3.26Å; R1092-Q1096 PolarHBondContact O-N 3.02Å
1093	N	86.3	Confident	83	Confident	62 Å²	62	51.6 Å²	51.6	33%	0.332	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-36.9	177.4	-68.2	-21.2	0	0	0	111.5	E1089 K1090 R1097	E1089-N1093 WeakPolarHBondContact O-CB 3.48Å; E1089-N1093 PolarHBondContact O-N 3.25Å; E1089-N1093 PolarHBondContact O-ND2 3.21Å; E1089-N1093 PolarHBondContact OE1-ND2 3.28Å; K1090-N1093 PolarHBondContact O-N 2.92Å; N1093-R1097 VanDerWaalsContact O-CB 3.31Å; N1093-R1097 WeakPolarHBondContact O-CB 3.34Å; N1093-R1097 PolarHBondContact O-N 3.08Å; N1093-R1097 VanDerWaalsContact O-N 3.08Å
1094	A	89.2	Confident	81.7	Confident	2 Å²	2	54.2 Å²	54.2	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-46.8	170.6	0	0	0	0	0	112.2	K1090 G1091 R1092 Q1096 R1097 V1098 L1115 A1118 V1119	K1090-A1094 WeakPolarHBondContact O-CB 3.48Å; K1090-A1094 PolarHBondContact O-N 2.9Å; G1091-A1094 PolarHBondContact O-N 3.49Å; R1092-A1094 VanDerWaalsContact C-N 3.32Å; R1092-A1094 PolarHBondContact O-N 3Å; A1094-Q1096 PolarHBondContact O-N 3.2Å; A1094-R1097 WeakPolarHBondContact O-CB 3.29Å; A1094-R1097 PolarHBondContact O-N 2.89Å; A1094-V1098 WeakPolarHBondContact O-CG2 3.5Å; A1094-V1098 PolarHBondContact O-N 3.38Å; A1094-L1115 HydrophobicContact CB-CD2 3.78Å; A1094-A1118 HydrophobicContact CB-CB 3.77Å; A1094-V1119 HydrophobicContact CB-CG2 4.34Å
1095	L	87.2	Confident	80.9	Confident	8 Å²	8	64.5 Å²	64.5	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-45	178.6	-178.7	54.9	0	0	0	111.9	L694 G1091 R1092 R1099 L1111 L1115	L694-L1095 HydrophobicContact CD2-CD1 4.33Å; G1091-L1095 WeakPolarHBondContact O-CB 3.39Å; G1091-L1095 PolarHBondContact O-N 2.86Å; R1092-L1095 PolarHBondContact O-N 3.43Å; L1095-R1099 HydrophobicContact CD1-CG 4.17Å; L1095-R1099 WeakPolarHBondContact O-CB 3.49Å; L1095-R1099 WeakPolarHBondContact O-CG 3.16Å; L1095-R1099 PolarHBondContact O-N 3.08Å; L1095-L1111 HydrophobicContact CD1-CD2 4.43Å; L1095-L1115 HydrophobicContact CB-CD2 4.03Å; L1095-L1115 HydrophobicContact CD1-CD1 4.26Å
1096	Q	83	Confident	80.8	Confident	88 Å²	88	66 Å²	66	41%	0.411	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-40.5	175.4	-71.2	-172.2	18.2	0	0	112.4	R1092 A1094 K1100	R1092-Q1096 WeakPolarHBondContact O-CG 3.26Å; R1092-Q1096 PolarHBondContact O-N 3.02Å; A1094-Q1096 PolarHBondContact O-N 3.2Å; Q1096-K1100 VanDerWaalsContact O-CB 3.27Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.21Å; Q1096-K1100 VanDerWaalsContact O-CG 3.22Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.26Å; Q1096-K1100 PolarHBondContact O-N 2.93Å
1097	R	85.4	Confident	80.8	Confident	112 Å²	112	67.9 Å²	67.9	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-49.8	177.2	-169.5	-165.7	-40.3	-123.3	0.7	111.3	E602 N1093 A1094 K1100 N1101	E602-R1097 WeakPolarHBondContact O-CD 3.22Å; N1093-R1097 VanDerWaalsContact O-CB 3.31Å; N1093-R1097 WeakPolarHBondContact O-CB 3.34Å; N1093-R1097 PolarHBondContact O-N 3.08Å; N1093-R1097 VanDerWaalsContact O-N 3.08Å; A1094-R1097 WeakPolarHBondContact O-CB 3.29Å; A1094-R1097 PolarHBondContact O-N 2.89Å; R1097-K1100 PolarHBondContact O-N 2.96Å; R1097-N1101 WeakPolarHBondContact O-CB 3.34Å; R1097-N1101 VanDerWaalsContact O-CG 3.31Å; R1097-N1101 PolarHBondContact O-N 2.87Å
1098	V	84.8	Confident	80.9	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-48	177.7	172.4	0	0	0	0	110.9	A1094 K1100 N1101 H1102 L1106 L1111 L1114	A1094-V1098 WeakPolarHBondContact O-CG2 3.5Å; A1094-V1098 PolarHBondContact O-N 3.38Å; V1098-K1100 VanDerWaalsContact C-N 3.34Å; V1098-K1100 PolarHBondContact O-N 2.97Å; V1098-N1101 PolarHBondContact O-N 3.46Å; V1098-H1102 WeakPolarHBondContact O-CB 3.29Å; V1098-H1102 PolarHBondContact O-CD2 3.49Å; V1098-H1102 VanDerWaalsContact O-CD2 3.27Å; V1098-H1102 PolarHBondContact O-N 2.94Å; V1098-L1106 HydrophobicContact CG1-CD1 3.61Å; V1098-L1111 HydrophobicContact CG1-CD2 3.74Å; V1098-L1114 HydrophobicContact CG1-CD1 3.66Å; V1098-L1114 HydrophobicContact CG2-CB 4.3Å; V1098-L1114 HydrophobicContact CG2-CD1 4.46Å
1099	R	79.9	Confident	80.9	Confident	63 Å²	63	74.4 Å²	74.4	24%	0.238	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-34.8	177	-73.4	-175	-177	168.4	7.4	113.3	D667 T673 L1095	D667-R1099 IonicContact OD2-CZ 2.9Å; D667-R1099 IonicContact OD2-NE 3.77Å; D667-R1099 IonicContact OD2-NH1 2.75Å; D667-R1099 PolarHBondContact OD2-NH1 3.04Å; T673-R1099 PolarHBondContact OG1-NH2 3.33Å; L1095-R1099 HydrophobicContact CD1-CG 4.17Å; L1095-R1099 WeakPolarHBondContact O-CB 3.49Å; L1095-R1099 WeakPolarHBondContact O-CG 3.16Å; L1095-R1099 PolarHBondContact O-N 3.08Å
1100	K	75.8	Confident	81.1	Confident	150 Å²	150	73.2 Å²	73.2	65%	0.652	33%	0.328	S	S	*	.	H	α-helix	trans	-73.1	-38	177	-77.3	169.2	178.3	171.3	0	112.8	Q1096 R1097 V1098	Q1096-K1100 VanDerWaalsContact O-CB 3.27Å; Q1096-K1100 WeakPolarHBondContact O-CB 3.21Å; Q1096-K1100 VanDerWaalsContact O-CG 3.22Å; Q1096-K1100 WeakPolarHBondContact O-CG 3.26Å; Q1096-K1100 PolarHBondContact O-N 2.93Å; R1097-K1100 PolarHBondContact O-N 2.96Å; V1098-K1100 VanDerWaalsContact C-N 3.34Å; V1098-K1100 PolarHBondContact O-N 2.97Å
1101	N	74.7	Confident	81.2	Confident	67 Å²	67	68.5 Å²	68.5	36%	0.358	31%	0.308	S	S	.	.	H	α-helix	trans	-83.8	-41.7	-174.8	-70.4	-11.6	0	0	0	112.8	G603 P605 R1097 V1098 R1103	G603-N1101 VanDerWaalsContact O-CB 3.3Å; G603-N1101 WeakPolarHBondContact O-CB 3.35Å; G603-N1101 PolarHBondContact O-ND2 3.35Å; P605-N1101 HydrophobicContact CG-CB 4.4Å; R1097-N1101 WeakPolarHBondContact O-CB 3.34Å; R1097-N1101 VanDerWaalsContact O-CG 3.31Å; R1097-N1101 PolarHBondContact O-N 2.87Å; V1098-N1101 PolarHBondContact O-N 3.46Å; N1101-R1103 PolarHBondContact O-N 3.46Å
1102	H	70.1	Confident	81.4	Confident	13 Å²	13	69 Å²	69	6%	0.06	31%	0.311	C	S	.	.			trans	-82.5	98.8	-177	-68.6	-112.9	0	0	0	111.5	R604 V1098 S1104 L1106	R604-H1102 PolarHBondContact O-CE1 2.94Å; R604-H1102 PolarHBondContact O-NE2 3.24Å; V1098-H1102 WeakPolarHBondContact O-CB 3.29Å; V1098-H1102 PolarHBondContact O-CD2 3.49Å; V1098-H1102 VanDerWaalsContact O-CD2 3.27Å; V1098-H1102 PolarHBondContact O-N 2.94Å; H1102-S1104 PolarHBondContact O-N 2.91Å; H1102-L1106 HydrophobicContact CB-CD1 3.84Å; H1102-L1106 HydrophobicContact CB-CG 4.11Å
1103	R	59.2	Low	81.8	Confident	252 Å²	252	68.2 Å²	68.2	95%	0.951	31%	0.309	S	S	*	.			trans	-71.2	-12.3	174.3	-61.3	-175.8	-178.3	-176.5	0.9	114	N1101	N1101-R1103 PolarHBondContact O-N 3.46Å
1104	S	60.7	Low	82.1	Confident	68 Å²	68	65.2 Å²	65.2	48%	0.476	29%	0.293	S	S	.	.	S	Bend	trans	-82.5	140	171.6	53.7	0	0	0	0	111	H1102 L1106	H1102-S1104 PolarHBondContact O-N 2.91Å; S1104-L1106 PolarHBondContact O-N 3.09Å
1105	R	68.8	Low	82.4	Confident	237 Å²	237	65.3 Å²	65.3	89%	0.894	29%	0.293	S	S	*	.			trans	-62.1	103.4	167.2	-89.1	-177.4	159.5	-169.8	-8.5	110.2
1106	L	81.6	Confident	82.7	Confident	31 Å²	31	65 Å²	65	16%	0.162	29%	0.291	C	S	.	.			trans	-73.9	149.3	168.3	-64.7	176.2	0	0	0	110.5	Y606 V1098 H1102 S1104 Q1110 L1111 L1114	Y606-L1106 HydrophobicContact CD2-CD2 4.44Å; Y606-L1106 HydrophobicContact CE2-CD2 3.47Å; Y606-L1106 VanDerWaalsContact CE2-CD2 3.47Å; V1098-L1106 HydrophobicContact CG1-CD1 3.61Å; H1102-L1106 HydrophobicContact CB-CD1 3.84Å; H1102-L1106 HydrophobicContact CB-CG 4.11Å; S1104-L1106 PolarHBondContact O-N 3.09Å; L1106-Q1110 HydrophobicContact CB-CB 4.36Å; L1106-Q1110 HydrophobicContact CD2-CB 4.33Å; L1106-L1111 HydrophobicContact CB-CD2 4.17Å; L1106-L1111 HydrophobicContact CB-CG 3.91Å; L1106-L1111 HydrophobicContact CD1-CD2 3.63Å; L1106-L1111 HydrophobicContact CD1-CG 4.21Å; L1106-L1114 HydrophobicContact CD1-CD1 3.81Å
1107	T	87	Confident	83.4	Confident	63 Å²	63	60.8 Å²	60.8	39%	0.387	27%	0.272	S	S	.	.			trans	-76.7	161.9	168.3	71	0	0	0	0	111.1	E1109 Q1110 L1111	T1107-E1109 PolarHBondContact O-N 3.27Å; T1107-Q1110 PolarHBondContact O-N 3.35Å; T1107-Q1110 VanDerWaalsContact OG1-CG 3.31Å; T1107-Q1110 WeakPolarHBondContact OG1-CG 3.2Å; T1107-Q1110 PolarHBondContact OG1-N 2.87Å; T1107-Q1110 VanDerWaalsContact OG1-N 3.13Å; T1107-L1111 WeakPolarHBondContact O-CG 3.49Å; T1107-L1111 PolarHBondContact O-N 3.01Å
1108	L	87	Confident	83.7	Confident	55 Å²	55	56.7 Å²	56.7	29%	0.288	26%	0.262	S	S	.	.	H	α-helix	trans	-56.3	-39.6	173.4	-176.4	72.1	0	0	0	111.9	T673 L694 E696 L1111 S1112	T673-L1108 HydrophobicContact CG2-CD1 4.39Å; L694-L1108 HydrophobicContact CB-CD1 4.44Å; L694-L1108 HydrophobicContact CD2-CD1 4.01Å; L694-L1108 HydrophobicContact CG-CD1 4Å; E696-L1108 HydrophobicContact CB-CD1 4.36Å; E696-L1108 HydrophobicContact CB-CD2 3.76Å; L1108-L1111 PolarHBondContact O-N 3.42Å; L1108-S1112 WeakPolarHBondContact O-CB 3.36Å; L1108-S1112 PolarHBondContact O-N 2.97Å
1109	E	88.4	Confident	84.2	Confident	99 Å²	99	57.9 Å²	57.9	46%	0.463	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-47.1	177.7	-173.8	169.8	-161.3	0	0	111.6	H638 T1107 L1111 S1112 D1113	H638-E1109 IonicContact CE1-OE1 2.71Å; H638-E1109 PolarHBondContact CE1-OE1 3.48Å; T1107-E1109 PolarHBondContact O-N 3.27Å; E1109-L1111 VanDerWaalsContact C-N 3.33Å; E1109-L1111 PolarHBondContact O-N 3.1Å; E1109-S1112 CarbonylContact O-C 3.49Å; E1109-S1112 PolarHBondContact O-N 2.94Å; E1109-S1112 VanDerWaalsContact O-N 3.11Å; E1109-D1113 PolarHBondContact O-N 2.89Å
1110	Q	90.4	Very high	84.9	Confident	25 Å²	25	55.9 Å²	55.9	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-39.5	174.8	-72.4	168.8	-14.4	0	0	112.4	L1106 T1107 D1113 L1114	L1106-Q1110 HydrophobicContact CB-CB 4.36Å; L1106-Q1110 HydrophobicContact CD2-CB 4.33Å; T1107-Q1110 PolarHBondContact O-N 3.35Å; T1107-Q1110 VanDerWaalsContact OG1-CG 3.31Å; T1107-Q1110 WeakPolarHBondContact OG1-CG 3.2Å; T1107-Q1110 PolarHBondContact OG1-N 2.87Å; T1107-Q1110 VanDerWaalsContact OG1-N 3.13Å; Q1110-D1113 PolarHBondContact O-N 2.87Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.19Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.27Å; Q1110-L1114 PolarHBondContact O-N 3.16Å
1111	L	90.5	Very high	85.7	Confident	16 Å²	16	49.6 Å²	49.6	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-63.4	-42.8	172.9	-74.7	168.4	0	0	0	111.4	L694 L1095 V1098 L1106 T1107 L1108 E1109 L1115	L694-L1111 HydrophobicContact CD2-CB 4.05Å; L1095-L1111 HydrophobicContact CD1-CD2 4.43Å; V1098-L1111 HydrophobicContact CG1-CD2 3.74Å; L1106-L1111 HydrophobicContact CB-CD2 4.17Å; L1106-L1111 HydrophobicContact CB-CG 3.91Å; L1106-L1111 HydrophobicContact CD1-CD2 3.63Å; L1106-L1111 HydrophobicContact CD1-CG 4.21Å; T1107-L1111 WeakPolarHBondContact O-CG 3.49Å; T1107-L1111 PolarHBondContact O-N 3.01Å; L1108-L1111 PolarHBondContact O-N 3.42Å; E1109-L1111 VanDerWaalsContact C-N 3.33Å; E1109-L1111 PolarHBondContact O-N 3.1Å; L1111-L1115 WeakPolarHBondContact O-CB 3.41Å; L1111-L1115 VanDerWaalsContact O-CG 3.29Å; L1111-L1115 WeakPolarHBondContact O-CG 3.42Å; L1111-L1115 PolarHBondContact O-N 2.72Å
1112	S	92.6	Very high	86.5	Confident	12 Å²	12	48.3 Å²	48.3	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-68.6	-33	177.6	-163.7	0	0	0	0	112.5	S693 L694 L1108 E1109 T1116	S693-S1112 WeakPolarHBondContact CA-OG 3.12Å; L694-S1112 PolarHBondContact N-OG 3.32Å; L694-S1112 VanDerWaalsContact N-OG 3.12Å; L1108-S1112 WeakPolarHBondContact O-CB 3.36Å; L1108-S1112 PolarHBondContact O-N 2.97Å; E1109-S1112 CarbonylContact O-C 3.49Å; E1109-S1112 PolarHBondContact O-N 2.94Å; E1109-S1112 VanDerWaalsContact O-N 3.11Å; S1112-T1116 WeakPolarHBondContact O-CB 3.36Å; S1112-T1116 PolarHBondContact O-N 3.21Å; S1112-T1116 PolarHBondContact O-OG1 3.11Å
1113	D	94.7	Very high	87.5	Confident	7 Å²	7	52 Å²	52	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-49.1	174.1	-77.8	-19.8	0	0	0	111.8	I637 H638 A641 R645 E1109 Q1110 L1115 T1116 I1117	I637-D1113 HydrophobicContact CG2-CB 4.23Å; H638-D1113 IonicContact CE1-OD2 3.32Å; H638-D1113 IonicContact CG-OD2 3.14Å; H638-D1113 IonicContact ND1-OD1 2.68Å; H638-D1113 IonicContact ND1-OD2 2.68Å; H638-D1113 PolarHBondContact ND1-OD2 3.47Å; A641-D1113 HydrophobicContact CB-CB 3.68Å; A641-D1113 VanDerWaalsContact CB-OD1 3.31Å; A641-D1113 WeakPolarHBondContact CB-OD1 3.3Å; R645-D1113 IonicContact CZ-OD1 3.04Å; R645-D1113 IonicContact NH1-OD1 3.47Å; R645-D1113 PolarHBondContact NH1-OD1 3.05Å; R645-D1113 IonicContact NH2-OD1 2.74Å; R645-D1113 PolarHBondContact NH2-OD1 2.88Å; E1109-D1113 PolarHBondContact O-N 2.89Å; Q1110-D1113 PolarHBondContact O-N 2.87Å; D1113-L1115 VanDerWaalsContact C-N 3.33Å; D1113-L1115 PolarHBondContact O-N 3Å; D1113-T1116 WeakPolarHBondContact O-CB 3.2Å; D1113-T1116 PolarHBondContact O-N 3.47Å; D1113-I1117 PolarHBondContact O-N 3.45Å
1114	L	94.1	Very high	88.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-41.6	174.7	-71.5	173.6	0	0	0	111.8	A600 Y606 I637 V1098 L1106 Q1110 I1117 A1118	A600-L1114 HydrophobicContact CB-CD2 3.64Å; Y606-L1114 HydrophobicContact CE1-CD1 4.48Å; Y606-L1114 HydrophobicContact CE1-CD2 4.23Å; I637-L1114 HydrophobicContact CD1-CD2 4.24Å; I637-L1114 HydrophobicContact CG2-CD2 4.12Å; V1098-L1114 HydrophobicContact CG1-CD1 3.66Å; V1098-L1114 HydrophobicContact CG2-CB 4.3Å; V1098-L1114 HydrophobicContact CG2-CD1 4.46Å; L1106-L1114 HydrophobicContact CD1-CD1 3.81Å; Q1110-L1114 WeakPolarHBondContact O-CB 3.19Å; Q1110-L1114 WeakPolarHBondContact O-CG 3.27Å; Q1110-L1114 PolarHBondContact O-N 3.16Å; L1114-I1117 PolarHBondContact O-N 2.61Å; L1114-A1118 VanDerWaalsContact O-CB 3.28Å; L1114-A1118 WeakPolarHBondContact O-CB 3.24Å; L1114-A1118 PolarHBondContact O-N 2.86Å
1115	L	93.8	Very high	90.3	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-66.1	-37.6	174.7	-76.2	177.9	0	0	0	113.2	F691 L694 A1094 L1095 L1111 D1113 I1117 A1118 V1119	F691-L1115 HydrophobicContact CD1-CB 4.19Å; F691-L1115 HydrophobicContact CE1-CB 3.58Å; F691-L1115 HydrophobicContact CE2-CB 4.16Å; F691-L1115 HydrophobicContact CE2-CD1 3.87Å; F691-L1115 HydrophobicContact CZ-CB 3.54Å; F691-L1115 HydrophobicContact CZ-CD1 3.68Å; F691-L1115 HydrophobicContact CZ-CG 4.29Å; L694-L1115 HydrophobicContact CB-CD1 4.19Å; L694-L1115 HydrophobicContact CD1-CD1 4.38Å; L694-L1115 HydrophobicContact CD2-CD1 4.08Å; L694-L1115 HydrophobicContact CG-CD1 4.46Å; A1094-L1115 HydrophobicContact CB-CD2 3.78Å; L1095-L1115 HydrophobicContact CB-CD2 4.03Å; L1095-L1115 HydrophobicContact CD1-CD1 4.26Å; L1111-L1115 WeakPolarHBondContact O-CB 3.41Å; L1111-L1115 VanDerWaalsContact O-CG 3.29Å; L1111-L1115 WeakPolarHBondContact O-CG 3.42Å; L1111-L1115 PolarHBondContact O-N 2.72Å; D1113-L1115 VanDerWaalsContact C-N 3.33Å; D1113-L1115 PolarHBondContact O-N 3Å; L1115-I1117 VanDerWaalsContact C-N 3.25Å; L1115-I1117 PolarHBondContact O-N 2.94Å; L1115-A1118 PolarHBondContact O-N 3Å; L1115-V1119 WeakPolarHBondContact O-CB 3.34Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.25Å; L1115-V1119 PolarHBondContact O-N 3.16Å
1116	T	95.3	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-44.1	175.3	-56.2	0	0	0	0	110.2	A641 L644 R645 S1112 D1113 N1120	A641-T1116 HydrophobicContact CB-CG2 4.25Å; L644-T1116 HydrophobicContact CB-CG2 3.87Å; L644-T1116 HydrophobicContact CD1-CG2 4.35Å; R645-T1116 HydrophobicContact CG-CG2 4.02Å; R645-T1116 PolarHBondContact NH1-OG1 2.76Å; R645-T1116 VanDerWaalsContact NH1-OG1 3.11Å; S1112-T1116 WeakPolarHBondContact O-CB 3.36Å; S1112-T1116 PolarHBondContact O-N 3.21Å; S1112-T1116 PolarHBondContact O-OG1 3.11Å; D1113-T1116 WeakPolarHBondContact O-CB 3.2Å; D1113-T1116 PolarHBondContact O-N 3.47Å; T1116-N1120 WeakPolarHBondContact O-CB 3.32Å; T1116-N1120 PolarHBondContact O-N 3.42Å
1117	I	95.7	Very high	92	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.9	-46.8	178.1	-63.2	167.4	0	0	0	111.4	Y597 A600 L601 I637 I640 A641 L644 D1113 L1114 L1115 V1119 G1121	Y597-I1117 HydrophobicContact CD2-CG2 3.91Å; Y597-I1117 HydrophobicContact CE2-CG2 3.63Å; A600-I1117 HydrophobicContact CB-CB 4.11Å; A600-I1117 HydrophobicContact CB-CD1 3.62Å; A600-I1117 HydrophobicContact CB-CG1 4.48Å; A600-I1117 HydrophobicContact CB-CG2 3.79Å; L601-I1117 HydrophobicContact CB-CG2 4.29Å; I637-I1117 HydrophobicContact CB-CD1 4.47Å; I637-I1117 HydrophobicContact CG1-CD1 4.49Å; I637-I1117 HydrophobicContact CG2-CD1 3.92Å; I640-I1117 HydrophobicContact CB-CD1 3.99Å; I640-I1117 HydrophobicContact CG2-CD1 3.56Å; I640-I1117 HydrophobicContact CG2-CG1 3.67Å; A641-I1117 HydrophobicContact CB-CD1 4.39Å; A641-I1117 HydrophobicContact CB-CG1 4.29Å; L644-I1117 HydrophobicContact CD1-CG1 4.04Å; D1113-I1117 PolarHBondContact O-N 3.45Å; L1114-I1117 PolarHBondContact O-N 2.61Å; L1115-I1117 VanDerWaalsContact C-N 3.25Å; L1115-I1117 PolarHBondContact O-N 2.94Å; I1117-V1119 VanDerWaalsContact C-N 3.27Å; I1117-V1119 PolarHBondContact O-N 3.48Å; I1117-G1121 VanDerWaalsContact O-CA 3.23Å; I1117-G1121 WeakPolarHBondContact O-CA 3.44Å; I1117-G1121 PolarHBondContact O-N 3.09Å
1118	A	93.7	Very high	92	Very high	27 Å²	27	41.9 Å²	41.9	22%	0.223	25%	0.247	C	C	.	.	H	α-helix	trans	-70.5	-17.2	-175.6	0	0	0	0	0	114.6	A1094 L1114 L1115	A1094-A1118 HydrophobicContact CB-CB 3.77Å; L1114-A1118 VanDerWaalsContact O-CB 3.28Å; L1114-A1118 WeakPolarHBondContact O-CB 3.24Å; L1114-A1118 PolarHBondContact O-N 2.86Å; L1115-A1118 PolarHBondContact O-N 3Å
1119	V	93.4	Very high	92.1	Very high	27 Å²	27	39.3 Å²	39.3	16%	0.164	23%	0.234	C	C	.	.	H	α-helix	trans	-110.8	-46.3	-179.2	-175.3	0	0	0	0	113	F691 C1087 A1094 L1115 I1117	F691-V1119 HydrophobicContact CB-CB 3.99Å; F691-V1119 HydrophobicContact CB-CG1 3.82Å; C1087-V1119 VanDerWaalsContact SG-CG1 3.55Å; A1094-V1119 HydrophobicContact CB-CG2 4.34Å; L1115-V1119 WeakPolarHBondContact O-CB 3.34Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.25Å; L1115-V1119 PolarHBondContact O-N 3.16Å; I1117-V1119 VanDerWaalsContact C-N 3.27Å; I1117-V1119 PolarHBondContact O-N 3.48Å
1120	N	94.7	Very high	91.8	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-98.3	-9.8	-176.8	-54.7	-9.5	0	0	0	112.9	F691 T1116	F691-N1120 PolarHBondContact N-OD1 3.35Å; F691-N1120 PolarHBondContact O-ND2 3.06Å; T1116-N1120 WeakPolarHBondContact O-CB 3.32Å; T1116-N1120 PolarHBondContact O-N 3.42Å
1121	G	92.5	Very high	91.4	Very high	17 Å²	17	44.2 Å²	44.2	18%	0.175	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-67.5	134.2	-176.8	0	0	0	0	0	112.5	Y597 I1117	Y597-G1121 WeakPolarHBondContact OH-CA 3.49Å; I1117-G1121 VanDerWaalsContact O-CA 3.23Å; I1117-G1121 WeakPolarHBondContact O-CA 3.44Å; I1117-G1121 PolarHBondContact O-N 3.09Å
1122	P	92.9	Very high	91.2	Very high	41 Å²	41	43.6 Å²	43.6	27%	0.266	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65.5	160.1	172.5	29.5	-36.6	0	0	0	112	Y597 I1124 N1126 F1127	Y597-P1122 VanDerWaalsContact OH-CD 3.23Å; Y597-P1122 WeakPolarHBondContact OH-CD 3.43Å; Y597-P1122 VanDerWaalsContact OH-N 3.09Å; Y597-P1122 PolarHBondContact OH-O 3.37Å; P1122-I1124 PolarHBondContact O-N 2.91Å; P1122-N1126 HydrophobicContact CB-CB 4.18Å; P1122-F1127 HydrophobicContact CG-CB 4.28Å; P1122-F1127 HydrophobicContact CG-CD2 4.42Å
1123	P	91.1	Very high	90.7	Very high	89 Å²	89	43.3 Å²	43.3	58%	0.578	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-52	143.6	168.8	-25.4	34.7	0	0	0	111.3	A1125 N1126 F1127	P1123-A1125 PolarHBondContact O-N 2.89Å; P1123-N1126 WeakPolarHBondContact O-CA 3.36Å; P1123-N1126 PolarHBondContact O-N 3.41Å; P1123-F1127 PolarHBondContact O-N 3.17Å
1124	I	88.9	Confident	89.9	Confident	83 Å²	83	46.7 Å²	46.7	43%	0.426	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-50	-33.9	-173.5	-177.9	65.2	0	0	0	114.3	Y597 H598 P1122 N1126 F1127	Y597-I1124 HydrophobicContact CD1-CD1 3.73Å; Y597-I1124 HydrophobicContact CE1-CD1 4.34Å; H598-I1124 HydrophobicContact CB-CD1 4.35Å; P1122-I1124 PolarHBondContact O-N 2.91Å; I1124-N1126 PolarHBondContact O-N 2.97Å; I1124-F1127 PolarHBondContact O-N 2.87Å
1125	A	89.8	Confident	89.2	Confident	94 Å²	94	47.6 Å²	47.6	78%	0.777	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66.3	-19.9	176.8	0	0	0	0	0	114.6	P1123	P1123-A1125 PolarHBondContact O-N 2.89Å
1126	N	91.5	Very high	88.6	Confident	123 Å²	123	47.9 Å²	47.9	66%	0.658	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-111.2	3.3	-177.7	-64.2	-8.1	0	0	0	112.7	P1122 P1123 I1124	P1122-N1126 HydrophobicContact CB-CB 4.18Å; P1123-N1126 WeakPolarHBondContact O-CA 3.36Å; P1123-N1126 PolarHBondContact O-N 3.41Å; I1124-N1126 PolarHBondContact O-N 2.97Å
1127	F	93.5	Very high	87.5	Confident	27 Å²	27	50.7 Å²	50.7	12%	0.118	28%	0.283	C	S	.	.			trans	-79.2	125.3	179.6	174	-111.5	0	0	0	111.4	N594 Y597 I640 P1122 P1123 I1124 A1129	N594-F1127 WeakPolarHBondContact OD1-CD1 3.18Å; N594-F1127 WeakPolarHBondContact OD1-CE1 3.22Å; Y597-F1127 HydrophobicContact CD1-CB 4.1Å; Y597-F1127 AromaticContact CD1-CD1 3.84Å; Y597-F1127 HydrophobicContact CD1-CD1 3.84Å; Y597-F1127 HydrophobicContact CD1-CD2 4.25Å; Y597-F1127 HydrophobicContact CD1-CE1 4.35Å; Y597-F1127 AromaticContact CD1-CG 3.78Å; Y597-F1127 HydrophobicContact CD1-CG 3.78Å; Y597-F1127 HydrophobicContact CD2-CD1 4.01Å; Y597-F1127 AromaticContact CD2-CD2 3.5Å; Y597-F1127 HydrophobicContact CD2-CD2 3.5Å; Y597-F1127 AromaticContact CD2-CE1 3.85Å; Y597-F1127 HydrophobicContact CD2-CE1 3.85Å; Y597-F1127 AromaticContact CD2-CE2 3.35Å; Y597-F1127 HydrophobicContact CD2-CE2 3.35Å; Y597-F1127 AromaticContact CD2-CG 3.84Å; Y597-F1127 HydrophobicContact CD2-CG 3.84Å; Y597-F1127 AromaticContact CD2-CZ 3.53Å; Y597-F1127 HydrophobicContact CD2-CZ 3.53Å; Y597-F1127 HydrophobicContact CE1-CB 3.85Å; Y597-F1127 HydrophobicContact CE1-CD1 4.39Å; Y597-F1127 HydrophobicContact CE1-CD2 4.14Å; Y597-F1127 AromaticContact CE1-CG 3.86Å; Y597-F1127 HydrophobicContact CE1-CG 3.86Å; Y597-F1127 AromaticContact CE2-CD2 3.39Å; Y597-F1127 HydrophobicContact CE2-CD2 3.39Å; Y597-F1127 AromaticContact CE2-CE2 3.58Å; Y597-F1127 HydrophobicContact CE2-CE2 3.58Å; Y597-F1127 AromaticContact CE2-CG 3.94Å; Y597-F1127 HydrophobicContact CE2-CG 3.94Å; Y597-F1127 HydrophobicContact CE2-CZ 4.24Å; Y597-F1127 AromaticContact CG-CD1 3.63Å; Y597-F1127 HydrophobicContact CG-CD1 3.63Å; Y597-F1127 AromaticContact CG-CD2 3.95Å; Y597-F1127 HydrophobicContact CG-CD2 3.95Å; Y597-F1127 AromaticContact CG-CE1 3.67Å; Y597-F1127 HydrophobicContact CG-CE1 3.67Å; Y597-F1127 HydrophobicContact CG-CE2 4.01Å; Y597-F1127 AromaticContact CG-CG 3.78Å; Y597-F1127 HydrophobicContact CG-CG 3.78Å; Y597-F1127 AromaticContact CG-CZ 3.87Å; Y597-F1127 HydrophobicContact CG-CZ 3.87Å; Y597-F1127 AromaticContact CZ-CD2 3.74Å; Y597-F1127 AromaticContact CZ-CG 3.96Å; I640-F1127 HydrophobicContact CD1-CZ 4.36Å; I640-F1127 HydrophobicContact CG1-CZ 4.17Å; I640-F1127 HydrophobicContact CG2-CE2 4.13Å; I640-F1127 HydrophobicContact CG2-CZ 4.2Å; P1122-F1127 HydrophobicContact CG-CB 4.28Å; P1122-F1127 HydrophobicContact CG-CD2 4.42Å; P1123-F1127 PolarHBondContact O-N 3.17Å; I1124-F1127 PolarHBondContact O-N 2.87Å; F1127-A1129 HydrophobicContact CE1-CB 3.85Å; F1127-A1129 HydrophobicContact CZ-CB 4.16Å
1128	D	87.9	Confident	86.1	Confident	113 Å²	113	57.5 Å²	57.5	60%	0.604	32%	0.315	S	S	*	.			trans	-107.1	110.8	169.7	-176.8	8	0	0	0	110.4	K1130	D1128-K1130 PolarHBondContact O-N 3.22Å; D1128-K1130 VanDerWaalsContact O-N 3.14Å; D1128-K1130 WeakPolarHBondContact OD1-CB 3.44Å; D1128-K1130 PolarHBondContact OD1-N 2.89Å; D1128-K1130 WeakPolarHBondContact OD2-CB 3.33Å
1129	A	88.1	Confident	84.9	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	31%	0.314	C	S	.	.			trans	-64.3	-12.1	176	0	0	0	0	0	114	T590 F593 F1127 R1131 A1132 L1133	T590-A1129 HydrophobicContact CG2-CB 4.16Å; F593-A1129 HydrophobicContact CB-CB 3.7Å; F593-A1129 HydrophobicContact CG-CB 4.31Å; F1127-A1129 HydrophobicContact CE1-CB 3.85Å; F1127-A1129 HydrophobicContact CZ-CB 4.16Å; A1129-R1131 PolarHBondContact O-N 2.83Å; A1129-A1132 PolarHBondContact O-N 2.94Å; A1129-L1133 WeakPolarHBondContact O-CB 3.45Å; A1129-L1133 PolarHBondContact O-N 3.4Å
1130	K	82.9	Confident	83.3	Confident	123 Å²	123	61.8 Å²	61.8	54%	0.535	33%	0.327	S	S	.	.	H	α-helix	trans	-58	-50	-165.5	-175.1	-176.4	171.6	-162.8	0	114.9	D1128 A1132 L1133 D1134	D1128-K1130 PolarHBondContact O-N 3.22Å; D1128-K1130 VanDerWaalsContact O-N 3.14Å; D1128-K1130 WeakPolarHBondContact OD1-CB 3.44Å; D1128-K1130 PolarHBondContact OD1-N 2.89Å; D1128-K1130 WeakPolarHBondContact OD2-CB 3.33Å; K1130-A1132 VanDerWaalsContact C-N 3.27Å; K1130-A1132 PolarHBondContact O-N 3.28Å; K1130-L1133 PolarHBondContact O-N 3.32Å; K1130-D1134 WeakPolarHBondContact O-CB 3.08Å; K1130-D1134 PolarHBondContact O-N 3.2Å
1131	R	81.9	Confident	81	Confident	103 Å²	103	64.5 Å²	64.5	39%	0.389	35%	0.347	S	S	.	.	H	α-helix	trans	-61	-37.6	179.9	-71.4	-169.1	84.2	148.8	2.7	111.6	A643 D647 E650 A1129 S1135	A643-R1131 HydrophobicContact CB-CB 3.96Å; D647-R1131 WeakPolarHBondContact OD1-CD 3.26Å; D647-R1131 IonicContact OD1-CZ 2.68Å; D647-R1131 IonicContact OD1-NE 3.84Å; D647-R1131 PolarHBondContact OD1-NE 3Å; D647-R1131 IonicContact OD1-NH1 3.19Å; D647-R1131 PolarHBondContact OD1-NH1 3.39Å; E650-R1131 IonicContact OE1-CZ 2.7Å; E650-R1131 IonicContact OE1-NH1 3.02Å; E650-R1131 PolarHBondContact OE1-NH1 3.05Å; E650-R1131 IonicContact OE1-NH2 2.69Å; E650-R1131 PolarHBondContact OE1-NH2 3.41Å; E650-R1131 IonicContact OE2-CZ 3.65Å; E650-R1131 IonicContact OE2-NH1 2.78Å; E650-R1131 PolarHBondContact OE2-NH1 3.22Å; E650-R1131 IonicContact OE2-NH2 3.36Å; A1129-R1131 PolarHBondContact O-N 2.83Å; R1131-S1135 WeakPolarHBondContact O-CB 3.48Å; R1131-S1135 PolarHBondContact O-N 3.24Å
1132	A	86.8	Confident	78.9	Confident	3 Å²	3	65.4 Å²	65.4	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-69.7	-39.3	176.7	0	0	0	0	0	112.5	F593 H639 I640 A643 A1129 K1130 S1135 W1136	F593-A1132 HydrophobicContact CD1-CB 4.02Å; F593-A1132 HydrophobicContact CE1-CB 3.69Å; H639-A1132 HydrophobicContact CB-CB 4.4Å; H639-A1132 WeakPolarHBondContact O-CB 3.41Å; I640-A1132 HydrophobicContact CB-CB 4.48Å; I640-A1132 HydrophobicContact CG1-CB 4.01Å; A643-A1132 HydrophobicContact CB-CB 4.11Å; A1129-A1132 PolarHBondContact O-N 2.94Å; K1130-A1132 VanDerWaalsContact C-N 3.27Å; K1130-A1132 PolarHBondContact O-N 3.28Å; A1132-S1135 WeakPolarHBondContact O-CB 3.24Å; A1132-S1135 PolarHBondContact O-N 3.46Å; A1132-W1136 WeakPolarHBondContact O-CB 3.2Å; A1132-W1136 PolarHBondContact O-N 3.09Å
1133	L	82.1	Confident	76.3	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.037	38%	0.384	C	S	.	.	H	α-helix	trans	-66.4	-44.6	175.7	-178.1	66.1	0	0	0	111.9	C586 M589 F593 A1129 K1130 W1136 F1137	C586-L1133 HydrophobicContact CB-CD2 3.92Å; M589-L1133 HydrophobicContact CB-CD1 3.62Å; M589-L1133 HydrophobicContact CG-CD1 4.48Å; F593-L1133 HydrophobicContact CD2-CB 4.41Å; F593-L1133 HydrophobicContact CD2-CD1 3.86Å; F593-L1133 HydrophobicContact CE2-CB 4.19Å; F593-L1133 HydrophobicContact CE2-CD1 3.55Å; F593-L1133 HydrophobicContact CE2-CG 4.5Å; A1129-L1133 WeakPolarHBondContact O-CB 3.45Å; A1129-L1133 PolarHBondContact O-N 3.4Å; K1130-L1133 PolarHBondContact O-N 3.32Å; L1133-W1136 PolarHBondContact O-N 2.84Å; L1133-F1137 HydrophobicContact CD1-CD2 4Å; L1133-F1137 HydrophobicContact CD1-CE2 3.55Å; L1133-F1137 HydrophobicContact CD1-CZ 4.41Å; L1133-F1137 HydrophobicContact CD2-CE2 4.27Å; L1133-F1137 HydrophobicContact CG-CD2 3.91Å; L1133-F1137 HydrophobicContact CG-CE2 3.71Å; L1133-F1137 VanDerWaalsContact O-CD2 3.24Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.33Å; L1133-F1137 PolarHBondContact O-N 3.01Å
1134	D	77.2	Confident	73.7	Confident	78 Å²	78	69.9 Å²	69.9	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-46.5	174.5	-74.2	-29.6	0	0	0	110	K1130 W1136 F1137 E1138	K1130-D1134 WeakPolarHBondContact O-CB 3.08Å; K1130-D1134 PolarHBondContact O-N 3.2Å; D1134-W1136 PolarHBondContact O-N 2.88Å; D1134-F1137 PolarHBondContact O-N 2.96Å; D1134-E1138 WeakPolarHBondContact O-CG 3.42Å; D1134-E1138 PolarHBondContact O-N 3.34Å
1135	S	79.1	Confident	71.2	Confident	19 Å²	19	75.7 Å²	75.7	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-56.1	-45.4	174.2	179.4	0	0	0	0	113.1	H639 R1131 A1132 E1138 E1139	H639-S1135 PolarHBondContact ND1-OG 3.43Å; H639-S1135 VanDerWaalsContact ND1-OG 3.07Å; R1131-S1135 WeakPolarHBondContact O-CB 3.48Å; R1131-S1135 PolarHBondContact O-N 3.24Å; A1132-S1135 WeakPolarHBondContact O-CB 3.24Å; A1132-S1135 PolarHBondContact O-N 3.46Å; S1135-E1138 PolarHBondContact O-N 3.19Å; S1135-E1139 PolarHBondContact O-N 2.84Å; S1135-E1139 VanDerWaalsContact O-N 3.16Å
1136	W	81.3	Confident	68.7	Low	9 Å²	9	74.7 Å²	74.7	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-64.8	-41.4	177.4	-179.8	90.8	0	0	0	112.1	M589 F593 Y627 H639 A1132 L1133 D1134 E1138 E1139 K1140	M589-W1136 HydrophobicContact CE-CD2 4.47Å; M589-W1136 HydrophobicContact CE-CE3 4.47Å; M589-W1136 HydrophobicContact CE-CH2 3.7Å; M589-W1136 HydrophobicContact CE-CZ2 3.68Å; M589-W1136 HydrophobicContact CE-CZ3 4.1Å; M589-W1136 HydrophobicContact CG-CH2 4.43Å; M589-W1136 HydrophobicContact CG-CZ3 4.36Å; M589-W1136 HydrophobicContact SD-CH2 4.16Å; F593-W1136 HydrophobicContact CE2-CB 4.41Å; F593-W1136 HydrophobicContact CE2-CG 4.46Å; F593-W1136 HydrophobicContact CZ-CB 3.85Å; F593-W1136 HydrophobicContact CZ-CG 4.14Å; Y627-W1136 HydrophobicContact CD1-CZ2 4.34Å; Y627-W1136 HydrophobicContact CE1-CH2 4.4Å; Y627-W1136 AromaticContact CE1-CZ2 3.87Å; Y627-W1136 HydrophobicContact CE1-CZ2 3.87Å; Y627-W1136 AromaticContact CE2-CH2 3.84Å; Y627-W1136 HydrophobicContact CE2-CH2 3.84Å; Y627-W1136 HydrophobicContact CE2-CZ2 4.06Å; Y627-W1136 AromaticContact CZ-CH2 3.76Å; Y627-W1136 AromaticContact CZ-CZ2 3.71Å; H639-W1136 AromaticContact CD2-CD1 3.56Å; H639-W1136 AromaticContact NE2-CD1 3.61Å; A1132-W1136 WeakPolarHBondContact O-CB 3.2Å; A1132-W1136 PolarHBondContact O-N 3.09Å; L1133-W1136 PolarHBondContact O-N 2.84Å; D1134-W1136 PolarHBondContact O-N 2.88Å; W1136-E1138 PolarHBondContact O-N 3.01Å; W1136-E1139 PolarHBondContact O-N 3.12Å; W1136-K1140 HydrophobicContact CD2-CG 4.08Å; W1136-K1140 HydrophobicContact CE3-CG 4.45Å; W1136-K1140 HydrophobicContact CZ2-CG 4.19Å; W1136-K1140 WeakPolarHBondContact O-CG 3.24Å; W1136-K1140 PolarHBondContact O-N 2.83Å
1137	F	73.4	Confident	66.2	Low	59 Å²	59	73.4 Å²	73.4	26%	0.259	38%	0.381	S	S	.	.	H	α-helix	trans	-65.9	-34.7	174.4	-82.4	-62	0	0	0	113	M585 C586 L1133 D1134 S1141	M585-F1137 HydrophobicContact CG-CZ 4.18Å; C586-F1137 VanDerWaalsContact SG-CE2 3.5Å; L1133-F1137 HydrophobicContact CD1-CD2 4Å; L1133-F1137 HydrophobicContact CD1-CE2 3.55Å; L1133-F1137 HydrophobicContact CD1-CZ 4.41Å; L1133-F1137 HydrophobicContact CD2-CE2 4.27Å; L1133-F1137 HydrophobicContact CG-CD2 3.91Å; L1133-F1137 HydrophobicContact CG-CE2 3.71Å; L1133-F1137 VanDerWaalsContact O-CD2 3.24Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.33Å; L1133-F1137 PolarHBondContact O-N 3.01Å; D1134-F1137 PolarHBondContact O-N 2.96Å; F1137-S1141 WeakPolarHBondContact O-CB 3.25Å; F1137-S1141 PolarHBondContact O-N 3.36Å; F1137-S1141 PolarHBondContact O-OG 2.81Å
1138	E	66.3	Low	63.8	Low	144 Å²	144	74.1 Å²	74.1	67%	0.673	39%	0.39	S	S	*	.	H	α-helix	trans	-64.8	-40.6	174.9	-73.3	-166.1	161.7	0	0	112.2	D1134 S1135 W1136 S1141	D1134-E1138 WeakPolarHBondContact O-CG 3.42Å; D1134-E1138 PolarHBondContact O-N 3.34Å; S1135-E1138 PolarHBondContact O-N 3.19Å; W1136-E1138 PolarHBondContact O-N 3.01Å; E1138-S1141 PolarHBondContact O-OG 3.07Å
1139	E	67	Low	61.4	Low	46 Å²	46	71.3 Å²	71.3	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-66.9	-52	173.9	-170.7	174	137.4	0	0	111.7	H639 S1135 W1136 S1141 G1142 S1148	H639-E1139 IonicContact CE1-OE2 3.71Å; S1135-E1139 PolarHBondContact O-N 2.84Å; S1135-E1139 VanDerWaalsContact O-N 3.16Å; W1136-E1139 PolarHBondContact O-N 3.12Å; E1139-S1141 VanDerWaalsContact C-N 3.26Å; E1139-S1141 PolarHBondContact O-N 3.31Å; E1139-G1142 PolarHBondContact O-N 3.39Å; E1139-S1148 VanDerWaalsContact OE1-CB 3.23Å; E1139-S1148 WeakPolarHBondContact OE1-CB 3.47Å; E1139-S1148 PolarHBondContact OE1-OG 2.98Å
1140	K	59.9	Low	59.1	Low	98 Å²	98	76 Å²	76	43%	0.426	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-22.7	-177.9	-60.5	-54	-179.7	-163.7	0	113.6	W1136 G1142	W1136-K1140 HydrophobicContact CD2-CG 4.08Å; W1136-K1140 HydrophobicContact CE3-CG 4.45Å; W1136-K1140 HydrophobicContact CZ2-CG 4.19Å; W1136-K1140 WeakPolarHBondContact O-CG 3.24Å; W1136-K1140 PolarHBondContact O-N 2.83Å; K1140-G1142 VanDerWaalsContact C-N 3.3Å; K1140-G1142 PolarHBondContact O-N 3.34Å
1141	S	47.9	Very low	57.3	Low	77 Å²	77	72.9 Å²	72.9	54%	0.538	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.4	177.2	62.9	0	0	0	0	114.5	F1137 E1138 E1139	F1137-S1141 WeakPolarHBondContact O-CB 3.25Å; F1137-S1141 PolarHBondContact O-N 3.36Å; F1137-S1141 PolarHBondContact O-OG 2.81Å; E1138-S1141 PolarHBondContact O-OG 3.07Å; E1139-S1141 VanDerWaalsContact C-N 3.26Å; E1139-S1141 PolarHBondContact O-N 3.31Å
1142	G	46.8	Very low	55.3	Low	36 Å²	36	73 Å²	73	37%	0.371	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	49.5	157.1	0	0	0	0	0	116.1	E1139 K1140	E1139-G1142 PolarHBondContact O-N 3.39Å; K1140-G1142 VanDerWaalsContact C-N 3.3Å; K1140-G1142 PolarHBondContact O-N 3.34Å
1143	N	39.7	Very low	52.9	Low	156 Å²	156	76 Å²	76	83%	0.834	42%	0.424	S	S	*	.	S	Bend	trans	-117.6	-3.3	172.8	-139.5	37.1	0	0	0	114.8
1144	S	36.2	Very low	51.1	Low	68 Å²	68	83.6 Å²	83.6	48%	0.476	45%	0.452	S	S	.	.			trans	-132.5	59.7	-176.1	-64.6	0	0	0	0	113.3	A1146	S1144-A1146 PolarHBondContact O-N 3.22Å
1145	Y	36.9	Very low	49.2	Very low	205 Å²	205	84.2 Å²	84.2	80%	0.804	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	5.1	179.2	-95.1	-84.9	0	0	0	115.7
1146	A	37.5	Very low	47	Very low	74 Å²	74	87.4 Å²	87.4	61%	0.612	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-47.3	179.6	0	0	0	0	0	113.4	S1144	S1144-A1146 PolarHBondContact O-N 3.22Å
1147	L	37.8	Very low	44.7	Very low	95 Å²	95	90.1 Å²	90.1	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-77.6	-53.7	-167.8	-68.2	170.3	0	0	0	112.9	A1149 E1150 V1151	L1147-A1149 VanDerWaalsContact C-N 3.29Å; L1147-A1149 PolarHBondContact O-N 2.69Å; L1147-E1150 PolarHBondContact O-N 3.24Å; L1147-E1150 VanDerWaalsContact O-N 3.15Å; L1147-V1151 WeakPolarHBondContact O-CG2 3.34Å; L1147-V1151 PolarHBondContact O-N 2.81Å
1148	S	44.1	Very low	43	Very low	43 Å²	43	94.7 Å²	94.7	30%	0.301	53%	0.526	S	S	.	.	H	α-helix	trans	-56.7	-40.8	-174.7	-137.8	0	0	0	0	112.7	E1139 L1152	E1139-S1148 VanDerWaalsContact OE1-CB 3.23Å; E1139-S1148 WeakPolarHBondContact OE1-CB 3.47Å; E1139-S1148 PolarHBondContact OE1-OG 2.98Å; S1148-L1152 WeakPolarHBondContact O-CB 3.49Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.48Å; S1148-L1152 VanDerWaalsContact O-CG 3.29Å; S1148-L1152 WeakPolarHBondContact O-CG 3.32Å; S1148-L1152 PolarHBondContact O-N 3.11Å; S1148-L1152 VanDerWaalsContact O-N 3.13Å
1149	A	37.1	Very low	41.4	Very low	53 Å²	53	96.7 Å²	96.7	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-71.3	-37	-179.6	0	0	0	0	0	112.8	L1147 S1153	L1147-A1149 VanDerWaalsContact C-N 3.29Å; L1147-A1149 PolarHBondContact O-N 2.69Å; A1149-S1153 VanDerWaalsContact O-CB 3.23Å; A1149-S1153 WeakPolarHBondContact O-CB 3.33Å; A1149-S1153 PolarHBondContact O-N 2.8Å; A1149-S1153 PolarHBondContact O-OG 3.26Å
1150	E	38.5	Very low	39.7	Very low	100 Å²	100	102.5 Å²	102.5	47%	0.467	56%	0.563	S	S	.	*	H	α-helix	trans	-76.5	-39.6	-179.6	-161.8	179.5	164.4	0	0	111.8	L1147 S1153 R1154	L1147-E1150 PolarHBondContact O-N 3.24Å; L1147-E1150 VanDerWaalsContact O-N 3.15Å; E1150-S1153 PolarHBondContact O-N 3.25Å; E1150-R1154 WeakPolarHBondContact O-CB 3.47Å; E1150-R1154 VanDerWaalsContact O-CG 3.26Å; E1150-R1154 WeakPolarHBondContact O-CG 3.48Å; E1150-R1154 PolarHBondContact O-N 3.22Å; E1150-R1154 IonicContact OE1-CZ 3.68Å; E1150-R1154 VanDerWaalsContact OE1-CZ 3.25Å; E1150-R1154 IonicContact OE1-NE 2.82Å; E1150-R1154 PolarHBondContact OE1-NE 3.35Å; E1150-R1154 VanDerWaalsContact OE1-NE 3.09Å; E1150-R1154 IonicContact OE1-NH2 3.39Å; E1150-R1154 PolarHBondContact OE1-NH2 3.25Å
1151	V	45.3	Very low	38.2	Very low	58 Å²	58	107.4 Å²	107.4	35%	0.352	58%	0.584	S	S	.	*	H	α-helix	trans	-60.7	-51.7	174.1	173.3	0	0	0	0	110.6	L1147 S1153 R1154 M1155	L1147-V1151 WeakPolarHBondContact O-CG2 3.34Å; L1147-V1151 PolarHBondContact O-N 2.81Å; V1151-S1153 VanDerWaalsContact C-N 3.33Å; V1151-S1153 PolarHBondContact O-N 2.77Å; V1151-R1154 PolarHBondContact O-N 3.22Å; V1151-M1155 HydrophobicContact CG1-SD 3.95Å; V1151-M1155 VanDerWaalsContact O-CG 3.32Å; V1151-M1155 WeakPolarHBondContact O-CG 3.33Å; V1151-M1155 PolarHBondContact O-N 2.87Å
1152	L	40.6	Very low	37.2	Very low	104 Å²	104	109.9 Å²	109.9	55%	0.545	60%	0.599	S	S	.	*	H	α-helix	trans	-63	-37.4	177.8	-70.6	170.3	0	0	0	112.4	S1148 M1155 S1156	S1148-L1152 WeakPolarHBondContact O-CB 3.49Å; S1148-L1152 WeakPolarHBondContact O-CD1 3.48Å; S1148-L1152 VanDerWaalsContact O-CG 3.29Å; S1148-L1152 WeakPolarHBondContact O-CG 3.32Å; S1148-L1152 PolarHBondContact O-N 3.11Å; S1148-L1152 VanDerWaalsContact O-N 3.13Å; L1152-M1155 PolarHBondContact O-N 2.97Å; L1152-S1156 PolarHBondContact O-N 3.1Å; L1152-S1156 PolarHBondContact O-OG 3.18Å
1153	S	37.3	Very low	36.2	Very low	68 Å²	68	112.6 Å²	112.6	48%	0.476	62%	0.617	S	S	.	*	H	α-helix	trans	-63.1	-48.4	174.8	-63.1	0	0	0	0	111.5	A1149 E1150 V1151 M1155 S1156 A1157	A1149-S1153 VanDerWaalsContact O-CB 3.23Å; A1149-S1153 WeakPolarHBondContact O-CB 3.33Å; A1149-S1153 PolarHBondContact O-N 2.8Å; A1149-S1153 PolarHBondContact O-OG 3.26Å; E1150-S1153 PolarHBondContact O-N 3.25Å; V1151-S1153 VanDerWaalsContact C-N 3.33Å; V1151-S1153 PolarHBondContact O-N 2.77Å; S1153-M1155 VanDerWaalsContact C-N 3.31Å; S1153-M1155 PolarHBondContact O-N 2.97Å; S1153-S1156 PolarHBondContact O-N 3.03Å; S1153-S1156 VanDerWaalsContact O-N 3.13Å; S1153-S1156 PolarHBondContact O-OG 2.96Å; S1153-A1157 WeakPolarHBondContact O-CB 3.49Å; S1153-A1157 PolarHBondContact O-N 3.15Å
1154	R	43.2	Very low	35.7	Very low	165 Å²	165	113.5 Å²	113.5	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-61.1	-38.1	177.8	-72.5	171.3	179.8	-144.1	4.9	112	E1150 V1151	E1150-R1154 WeakPolarHBondContact O-CB 3.47Å; E1150-R1154 VanDerWaalsContact O-CG 3.26Å; E1150-R1154 WeakPolarHBondContact O-CG 3.48Å; E1150-R1154 PolarHBondContact O-N 3.22Å; E1150-R1154 IonicContact OE1-CZ 3.68Å; E1150-R1154 VanDerWaalsContact OE1-CZ 3.25Å; E1150-R1154 IonicContact OE1-NE 2.82Å; E1150-R1154 PolarHBondContact OE1-NE 3.35Å; E1150-R1154 VanDerWaalsContact OE1-NE 3.09Å; E1150-R1154 IonicContact OE1-NH2 3.39Å; E1150-R1154 PolarHBondContact OE1-NH2 3.25Å; V1151-R1154 PolarHBondContact O-N 3.22Å
1155	M	37.6	Very low	35.3	Very low	92 Å²	92	119.2 Å²	119.2	45%	0.453	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-38.9	174.1	-69.5	173.4	75.6	0	0	112.5	V1151 L1152 S1153	V1151-M1155 HydrophobicContact CG1-SD 3.95Å; V1151-M1155 VanDerWaalsContact O-CG 3.32Å; V1151-M1155 WeakPolarHBondContact O-CG 3.33Å; V1151-M1155 PolarHBondContact O-N 2.87Å; L1152-M1155 PolarHBondContact O-N 2.97Å; S1153-M1155 VanDerWaalsContact C-N 3.31Å; S1153-M1155 PolarHBondContact O-N 2.97Å
1156	S	33.5	Very low	34.8	Very low	86 Å²	86	115.7 Å²	115.7	60%	0.601	64%	0.641	S	S	*	*	H	α-helix	trans	-77.1	-28	179.1	72	0	0	0	0	114.7	L1152 S1153 L1158	L1152-S1156 PolarHBondContact O-N 3.1Å; L1152-S1156 PolarHBondContact O-OG 3.18Å; S1153-S1156 PolarHBondContact O-N 3.03Å; S1153-S1156 VanDerWaalsContact O-N 3.13Å; S1153-S1156 PolarHBondContact O-OG 2.96Å; S1156-L1158 VanDerWaalsContact C-N 3.34Å; S1156-L1158 PolarHBondContact O-N 3.07Å
1157	A	32.9	Very low	34.3	Very low	66 Å²	66	118.4 Å²	118.4	55%	0.545	65%	0.649	S	S	.	*	H	α-helix	trans	-74.8	-20.3	-172.5	0	0	0	0	0	114.1	S1153 E1159 Q1160	S1153-A1157 WeakPolarHBondContact O-CB 3.49Å; S1153-A1157 PolarHBondContact O-N 3.15Å; A1157-E1159 VanDerWaalsContact C-N 3.34Å; A1157-E1159 PolarHBondContact O-N 3.1Å; A1157-Q1160 PolarHBondContact O-N 3.08Å
1158	L	37.3	Very low	33.7	Very low	154 Å²	154	121.2 Å²	121.2	81%	0.806	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-1.3	-172.2	-82.6	163.3	0	0	0	115.3	S1156 Q1160	S1156-L1158 VanDerWaalsContact C-N 3.34Å; S1156-L1158 PolarHBondContact O-N 3.07Å; L1158-Q1160 VanDerWaalsContact C-N 3.29Å
1159	E	32.4	Very low	32.8	Very low	186 Å²	186	128.1 Å²	128.1	87%	0.869	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-10.2	169.2	-66.5	-155.2	132.5	0	0	113.5	A1157	A1157-E1159 VanDerWaalsContact C-N 3.34Å; A1157-E1159 PolarHBondContact O-N 3.1Å
1160	Q	31.3	Very low	32.2	Very low	168 Å²	168	128.9 Å²	128.9	79%	0.785	71%	0.705	S	S	*	*	S	Bend	trans	-100.4	137.3	177.4	-60.4	-163.7	14.4	0	0	112	A1157 L1158	A1157-Q1160 PolarHBondContact O-N 3.08Å; L1158-Q1160 VanDerWaalsContact C-N 3.29Å
1161	K	28.5	Very low	31.5	Very low	201 Å²	201	130.9 Å²	130.9	87%	0.874	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-59.5	136.6	-175.7	-71.2	178.6	176.3	176.9	0	111.5	A1163	K1161-A1163 PolarHBondContact O-N 2.73Å; K1161-A1163 VanDerWaalsContact O-N 3.16Å
1162	P	27.4	Very low	30.7	Very low	130 Å²	130	135.7 Å²	135.7	84%	0.844	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.5	171.9	27.6	-33.5	0	0	0	110.3
1163	A	26.1	Very low	30.1	Very low	92 Å²	92	139.9 Å²	139.9	76%	0.76	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-80.9	128.4	162.9	0	0	0	0	0	108.8	K1161 Q1165	K1161-A1163 PolarHBondContact O-N 2.73Å; K1161-A1163 VanDerWaalsContact O-N 3.16Å; A1163-Q1165 PolarHBondContact O-N 3.28Å
1164	L	28.8	Very low	29.7	Very low	176 Å²	176	146.3 Å²	146.3	92%	0.921	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.2	119.8	175.7	-75.5	161.6	0	0	0	110.1
1165	Q	26.9	Very low	29.5	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	78%	0.78	S	S	*	*			trans	-108.9	118.2	160.8	-76.8	-168.9	-24.7	0	0	109.4	A1163	A1163-Q1165 PolarHBondContact O-N 3.28Å
1166	T	27.4	Very low	29	Very low	132 Å²	132	146.5 Å²	146.5	81%	0.81	79%	0.794	S	S	*	*			trans	-92.4	115.6	175.4	47.7	0	0	0	0	110.3
1167	V	27.1	Very low	28.9	Very low	131 Å²	131	154 Å²	154	79%	0.794	83%	0.825	S	S	*	*			trans	-140.3	96.9	161.3	-171.5	0	0	0	0	104.2
1168	D	23.6	Very low	28.7	Very low	153 Å²	153	158.4 Å²	158.4	82%	0.818	84%	0.839	S	S	*	*				69.2	140.5	71.7	-155.6	8.6	0	0	0	112.8
1169	H	26.4	Very low	28.3	Very low	188 Å²	188	158.6 Å²	158.6	87%	0.87	84%	0.84	S	S	*	*			trans	-108.7	121.3	-157.2	-85.7	-19.4	0	0	0	114.7
1170	G	24.2	Very low	28	Very low	69 Å²	69	157.1 Å²	157.1	71%	0.711	84%	0.839	S	S	*	*			trans	98.5	125.3	140.2	0	0	0	0	0	117.1
1171	T	24.6	Very low	27.9	Very low	142 Å²	142	156.5 Å²	156.5	87%	0.871	84%	0.842	S	S	*	*			trans	-155.5	166.4	131.9	-6.5	0	0	0	0	110.2
1172	E	28.6	Very low	27.8	Very low	160 Å²	160	153.7 Å²	153.7	75%	0.748	84%	0.84	S	S	*	*			trans	-70.7	162.6	-173.3	-57.1	150.3	144.7	0	0	112.7
1173	F	26.4	Very low	27.8	Very low	192 Å²	192	155.3 Å²	155.3	84%	0.842	84%	0.84	S	S	*	*				179.9	148.2	106.7	-109.1	-87.4	0	0	0	112.9
1174	Y	30.4	Very low	28	Very low	202 Å²	202	159.8 Å²	159.8	79%	0.792	85%	0.845	S	S	*	*			trans	-77.1	165.5	167.3	-105.4	-101.4	0	0	0	111.3
1175	P	37.2	Very low	27.9	Very low	120 Å²	120	158.5 Å²	158.5	78%	0.779	84%	0.84	S	S	*	*				-131.8	147.5	126.7	36.8	-28.9	0	0	0	113.6
1176	D	27	Very low	28	Very low	142 Å²	142	156.2 Å²	156.2	76%	0.759	84%	0.837	S	S	*	*			trans	-78.7	138.2	169.7	-62	-75.8	0	0	0	112.2
1177	I	32.9	Very low	28	Very low	243 Å²	243	158.4 Å²	158.4	100%	1.246	84%	0.839	S	S	*	*			trans	165.5	0	131.6	-86.1	164	0	0	0	110.2

Retrieved 1,177 of 1,177 residues in 5000.9 ms (Link to these results)

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