A0A5K4ETF1_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A5K4ETF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,684 aa.

						>A0A5K4ETF1_SCHMA|A0A5K4ETF1
MADSNCVDSPPTPNYVYTLNEVTDVQSNFVPLKMASQVDTQNYASDELSATYTGLHCSICHCFFNSSDQMSRHLNIHNTGKPYVCSHCNASFNQAENLYVHISLYHTMCENQDHYNCCLCDKRFLRFTAYKSHLLLHQIDENFVCSVCQQSFESVTLYEKHLHACTKTIVINKPPSQYRCRICGMLLSSIGKIKQHYRRRHPCYRSHSIENPGVITEANLEPSTDAGNIRSSKLRATDHLSTIIKRGQRRSKNSLSMLDQLIYQIPVEQPVIQDNSHAIKSNRKKRKTPYLCSVCHKKFVKPSLLKRHMTIHTKNKSYECVLCHARFTQKSSAKTHVLLHISALNLHPDYHSTENGTDSSLPILTVNNESQDSVANRLPSLDSHVNSGIQFLTFPNDNDTLNCTTLPHNSVVLQSFIPRYHAAENNLNRIRTDHADHNLVPPVSNSNLGMDCSYPQMFSCPVCYKRFQLSRSLRVHMLRHSMVGCKSYERIPISQNSIQQKNMRNRLNTKTCDKSKKSCSRKLVHRFNRCIHCFKAFRSVNRLKLHIYKTHLGRCTIFMCRKCPRRFISSMGLKRHVNLRHRCIKSNNICPICQTLFLNLSALKRHMDIHSSERLFSCYICHKRFQFLHSCRKHLLNHSITKRSKKQKHNVQKLSESCASDMVTIPKYPVLQTVIIDSLSKSRDAGSCSDPNVTVGDFINTVEKCSLYNNTGPNTFRSDGLSVVVHVQSPSNNPSNIFVPLPKSVSQHQNFDFPTVNNFRDNLDNLKNSEMITIAAKRYSEFSQNQTDIWIDSSAENQSYCVPNIPPNEVDQTLDLLVIDGSQAFNSTEVPVEGSLDAYQEPVLLAPDNVDSSKFPSNLNIDPLLNTQSFMCAVEPLEKDLTTNICYASNTYTTNINTAVSVVNDSNQASNTNPVYKPPRPSERAGLNVHKSCSFEKETSDIIESNSFPILSTQQLYGCGLCNMVYEDAESLLQHNRISHNNVSKSFSCSSCPRSFTNPTLLLSHSRIHNPEYDGILNCPLCPMSIFTKQSALSRHIIYCHPLPLSEPFMCSNCGMRFMMLRSLKSHVNNILNGVDICVSKSTLEQQESTNNMINNELRNGKNTSKLNNTRNLKRNTHQISNLSSNLVDEIAKLQPSNHLSLSEKYLIKTPTCIAFRLNNAARERVENTVSFPKLLIDSHSLNHQSNFPVSGNICNICNKNFTKKSDLRYHLNVHFGIRPYECDKCHRRFMKHSQLRQHKFKVHESNMSKIVLTSKKKALMKHALFCHLCGSGFSSRSSLRLHVRLHTGTRGYGCPYCNSVFHNPSHRKRHLLKCKARHQSNDELTSANFSSTLDNNIFSHDVMNINHPEEETICEANKMCRSFKDCICDNGVSEHCTKCTKCTLYLDILLYSKEIPTNDKVINNQVLDVPNSINNSGSKPVNISTAYLEITDHDINNNSEKPFTSHNISNTIDVANGQQCHYLLASTCDMNELNQHFIPVNNNLDNVINIHDSNNDINNDINAVVLYSDENIFDFVPCEDIYSNNTLHNNPEYLNTALENEPMSSSTNNITTDNAIISSHIHGDDNNNLTTHLTKNTTIMKAKSNIKYSYNKKFQRLFNCTICHKTFTKNSSLIRHERIHNRIKPFVCHYCGASFTQSYSLTSHELIHIGEKPYKCSQCNASFRQSCNLKRHLKLVHKNECIL
					

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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	30.1	Very low	30.5	Very low	227 Å²	227	130.6 Å²	130.6	100%	1.118	80%	0.795	S	S	*	*				0	156.2	0	-62.6	175.3	176.5	0	0	107.4
2	A	31.6	Very low	30.1	Very low	95 Å²	95	129 Å²	129	79%	0.785	79%	0.786	S	S	*	*			trans	47.9	100.7	177.5	0	0	0	0	0	114.7
3	D	26	Very low	30.6	Very low	112 Å²	112	128.1 Å²	128.1	60%	0.599	78%	0.784	S	S	*	*			cis	60.6	119.6	35.8	-107.4	-22.9	0	0	0	114.8	K1065	D3-K1065 IonicContact OD1-NZ 3.09Å; D3-K1065 PolarHBondContact OD1-NZ 3.44Å; D3-K1065 IonicContact OD2-NZ 2.88Å; D3-K1065 PolarHBondContact OD2-NZ 3.1Å
4	S	28.6	Very low	30.2	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	78%	0.775	S	S	*	*			trans	51.4	119.9	155.7	61.2	0	0	0	0	120.8
5	N	30.7	Very low	30.2	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	78%	0.775	S	S	*	*				178.1	167.5	100.2	-90	-29.9	0	0	0	113.6
6	C	31.6	Very low	29.9	Very low	118 Å²	118	128.9 Å²	128.9	80%	0.797	76%	0.756	S	S	*	*			trans	65.7	121.1	177.4	-48.6	0	0	0	0	114.6
7	V	31	Very low	29.7	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	77%	0.766	S	S	*	*			cis	67.4	95.9	36.9	-168.3	0	0	0	0	112.4
8	D	37.2	Very low	29.5	Very low	158 Å²	158	132.4 Å²	132.4	85%	0.845	75%	0.751	S	S	*	*			trans	-174.3	148.2	136.6	-94.3	-25.2	0	0	0	109.7
9	S	28.2	Very low	29.3	Very low	123 Å²	123	133.1 Å²	133.1	86%	0.86	75%	0.752	S	S	*	*			trans	-106.6	130	-166.4	-62.7	0	0	0	0	114.4
10	P	32.2	Very low	29.1	Very low	116 Å²	116	131.9 Å²	131.9	75%	0.753	74%	0.743	S	S	*	*			trans	-111.1	163.2	156.4	23	-5.3	0	0	0	112.6
11	P	27.9	Very low	28.9	Very low	119 Å²	119	131.9 Å²	131.9	77%	0.773	74%	0.737	S	S	*	*			trans	-90.2	167.7	-149.9	34.4	-38.9	0	0	0	117.1
12	T	26.8	Very low	28.9	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	72%	0.724	S	S	*	*			trans	-64.7	127.7	167.4	41.2	0	0	0	0	112.6	N14	T12-N14 VanDerWaalsContact C-N 3.31Å; T12-N14 PolarHBondContact O-N 3.05Å; T12-N14 VanDerWaalsContact O-N 3.1Å
13	P	35.5	Very low	28.6	Very low	117 Å²	117	128.3 Å²	128.3	76%	0.76	72%	0.719	S	S	*	*			trans	-83.1	78	164.3	33.2	-32.1	0	0	0	109.9	Y15	P13-Y15 PolarHBondContact O-N 3.29Å; P13-Y15 VanDerWaalsContact O-N 3.09Å
14	N	26	Very low	28.6	Very low	125 Å²	125	129.4 Å²	129.4	67%	0.668	73%	0.725	S	S	*	*			trans	-59.7	106.9	172.4	-106	-14.5	0	0	0	110.6	T12 V16	T12-N14 VanDerWaalsContact C-N 3.31Å; T12-N14 PolarHBondContact O-N 3.05Å; T12-N14 VanDerWaalsContact O-N 3.1Å; N14-V16 HydrophobicContact CB-CG2 3.9Å; N14-V16 PolarHBondContact O-N 2.88Å
15	Y	30.3	Very low	28.7	Very low	196 Å²	196	130.6 Å²	130.6	77%	0.769	73%	0.727	S	S	*	*			trans	-84.1	68.3	163.5	-94.1	-78.5	0	0	0	110.6	P13	P13-Y15 PolarHBondContact O-N 3.29Å; P13-Y15 VanDerWaalsContact O-N 3.09Å
16	V	25.1	Very low	28.7	Very low	77 Å²	77	131.9 Å²	131.9	47%	0.467	73%	0.729	S	S	.	*			trans	-65.9	129.3	175.2	148.3	0	0	0	0	110.8	N14 T18	N14-V16 HydrophobicContact CB-CG2 3.9Å; N14-V16 PolarHBondContact O-N 2.88Å; V16-T18 HydrophobicContact CG1-CG2 3.62Å; V16-T18 VanDerWaalsContact CG1-N 3.32Å; V16-T18 VanDerWaalsContact CG1-OG1 3.26Å; V16-T18 WeakPolarHBondContact CG1-OG1 3.43Å
17	Y	26	Very low	28.9	Very low	239 Å²	239	131 Å²	131	94%	0.937	72%	0.724	S	S	*	*			trans	-114.7	86.1	144.2	-95.5	-76.3	0	0	0	106.7	L19	Y17-L19 PolarHBondContact O-N 3.14Å
18	T	25.7	Very low	28.8	Very low	81 Å²	81	132.2 Å²	132.2	50%	0.497	73%	0.726	S	S	.	*			trans	-68.4	126.1	172.3	29.3	0	0	0	0	108.3	V16 N20	V16-T18 HydrophobicContact CG1-CG2 3.62Å; V16-T18 VanDerWaalsContact CG1-N 3.32Å; V16-T18 VanDerWaalsContact CG1-OG1 3.26Å; V16-T18 WeakPolarHBondContact CG1-OG1 3.43Å; T18-N20 HydrophobicContact CG2-CB 4.47Å
19	L	25.6	Very low	28.4	Very low	145 Å²	145	133.3 Å²	133.3	76%	0.759	72%	0.724	S	S	*	*				-64.3	122.1	128.8	-70.6	93.7	0	0	0	105.6	Y17	Y17-L19 PolarHBondContact O-N 3.14Å
20	N	27	Very low	28.4	Very low	109 Å²	109	132.7 Å²	132.7	58%	0.583	71%	0.714	S	S	*	*			trans	-144	144.1	161.1	-99.9	1.2	0	0	0	106	T18 S1467	T18-N20 HydrophobicContact CG2-CB 4.47Å; N20-S1467 PolarHBondContact OD1-OG 3.39Å; N20-S1467 VanDerWaalsContact OD1-OG 3.13Å
21	E	24.6	Very low	28.2	Very low	132 Å²	132	132 Å²	132	62%	0.617	71%	0.71	S	S	*	*			trans	-76.5	137.7	-171.7	-67	137.9	150.7	0	0	111.5	T23	E21-T23 HydrophobicContact CB-CG2 4.48Å
22	V	30.3	Very low	28.2	Very low	139 Å²	139	131.9 Å²	131.9	84%	0.842	70%	0.702	S	S	*	*			trans	-114.3	92.2	144.5	-179.4	0	0	0	0	105.2
23	T	24.7	Very low	28.2	Very low	109 Å²	109	135.7 Å²	135.7	67%	0.669	71%	0.709	S	S	*	*			trans	-61.8	146.7	158.4	47	0	0	0	0	108.8	E21	E21-T23 HydrophobicContact CB-CG2 4.48Å
24	D	25.4	Very low	27.8	Very low	135 Å²	135	136.6 Å²	136.6	72%	0.722	71%	0.705	S	S	*	*			trans	64	142.8	-176.2	-52.4	-49.7	0	0	0	114.1
25	V	31.7	Very low	28.2	Very low	116 Å²	116	135 Å²	135	70%	0.703	71%	0.709	S	S	*	*			cis	-124.5	141.5	13.4	169.8	0	0	0	0	110.3
26	Q	31	Very low	27.9	Very low	175 Å²	175	129.3 Å²	129.3	82%	0.818	70%	0.698	S	S	*	*			trans	9.1	134.4	147.4	-48.2	159.5	2.5	0	0	116.8
27	S	34.7	Very low	28.1	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	71%	0.714	S	S	*	*			cis	-162.2	139.6	39	46.5	0	0	0	0	112.6	F29	S27-F29 PolarHBondContact O-N 2.84Å
28	N	28.6	Very low	28.4	Very low	155 Å²	155	128.5 Å²	128.5	83%	0.829	71%	0.706	S	S	*	*			trans	-66.8	106.3	178.7	-63.1	-56.3	0	0	0	112.3
29	F	30.3	Very low	28.5	Very low	182 Å²	182	130.5 Å²	130.5	80%	0.798	71%	0.713	S	S	*	*			trans	-129.7	120.7	155.1	-85.8	-95.3	0	0	0	110.1	S27	S27-F29 PolarHBondContact O-N 2.84Å
30	V	27.4	Very low	28.5	Very low	110 Å²	110	129 Å²	129	67%	0.667	71%	0.71	S	S	*	*			cis	83.6	132.1	43.5	170.4	0	0	0	0	111.4
31	P	26.8	Very low	28.8	Very low	101 Å²	101	131.5 Å²	131.5	66%	0.656	72%	0.719	S	S	*	*			cis	-138.7	-141.5	-23.7	36.5	-14	0	0	0	112.6
32	L	28.1	Very low	28.9	Very low	116 Å²	116	130.7 Å²	130.7	61%	0.607	72%	0.719	S	S	*	*			trans	75	135.7	166.1	-45.9	179.3	0	0	0	117.1	M34	L32-M34 HydrophobicContact CD1-CE 4.32Å; L32-M34 HydrophobicContact CD1-CG 4.29Å; L32-M34 HydrophobicContact CD1-SD 4.05Å; L32-M34 HydrophobicContact CD2-CG 4.29Å
33	K	27	Very low	29.1	Very low	192 Å²	192	134.4 Å²	134.4	84%	0.835	72%	0.719	S	S	*	*			cis	60.3	77.8	-7.4	-122.9	-172.6	-175.6	-171.8	0	117.8	A35	K33-A35 HydrophobicContact CG-CB 4.33Å
34	M	27.1	Very low	29.4	Very low	136 Å²	136	132.7 Å²	132.7	67%	0.67	72%	0.716	S	S	*	*			trans	-130.8	113.8	147.9	-80.6	176.6	156.5	0	0	106	L32	L32-M34 HydrophobicContact CD1-CE 4.32Å; L32-M34 HydrophobicContact CD1-CG 4.29Å; L32-M34 HydrophobicContact CD1-SD 4.05Å; L32-M34 HydrophobicContact CD2-CG 4.29Å
35	A	35.1	Very low	29.8	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	72%	0.721	S	S	*	*			cis	71.5	48.6	2.8	0	0	0	0	0	116.5	K33	K33-A35 HydrophobicContact CG-CB 4.33Å
36	S	24.8	Very low	30	Very low	77 Å²	77	133.1 Å²	133.1	54%	0.538	72%	0.723	S	S	.	*			trans	-168.4	141	162.5	48.8	0	0	0	0	107.5
37	Q	29	Very low	30.2	Very low	172 Å²	172	133 Å²	133	80%	0.804	72%	0.723	S	S	*	*			cis	-158.2	-173.1	-3	-112.9	155	-23	0	0	107.1
38	V	31.2	Very low	30.1	Very low	128 Å²	128	135.6 Å²	135.6	78%	0.776	73%	0.728	S	S	*	*			trans	70	78.2	-175.5	-164.4	0	0	0	0	111.5
39	D	28.2	Very low	30.1	Very low	122 Å²	122	133.1 Å²	133.1	65%	0.652	72%	0.723	S	S	*	*				66.6	94	75.6	-54.5	-49.8	0	0	0	110.6
40	T	26.3	Very low	30.3	Very low	113 Å²	113	127.9 Å²	127.9	69%	0.693	71%	0.714	S	S	*	*				51.7	106.4	102.4	67.2	0	0	0	0	113.9
41	Q	31.8	Very low	30.7	Very low	163 Å²	163	126.8 Å²	126.8	76%	0.762	71%	0.707	S	S	*	*				-173	143.7	99.3	-93.6	164	42.5	0	0	110.8
42	N	28	Very low	31.1	Very low	115 Å²	115	133.5 Å²	133.5	62%	0.615	72%	0.721	S	S	*	*			trans	23.9	132.3	132.1	-40.1	-22	0	0	0	117
43	Y	33.9	Very low	31.8	Very low	216 Å²	216	133.5 Å²	133.5	85%	0.847	73%	0.726	S	S	*	*			cis	-147.5	159.1	43.4	-90.6	-89.5	0	0	0	115.2
44	A	30.5	Very low	33	Very low	74 Å²	74	125.7 Å²	125.7	61%	0.612	70%	0.7	S	S	*	*			trans	-44.3	138.4	-179.3	0	0	0	0	0	117.4
45	S	34.8	Very low	34.7	Very low	117 Å²	117	122.1 Å²	122.1	82%	0.818	68%	0.683	S	S	*	*			trans	-158.7	81.3	145.7	-72.6	0	0	0	0	108.7
46	D	34.7	Very low	36.8	Very low	142 Å²	142	122.3 Å²	122.3	76%	0.759	67%	0.669	S	S	*	*			trans	-62.8	155.8	174.4	-48.5	-76.4	0	0	0	111
47	E	37	Very low	39.4	Very low	172 Å²	172	118.7 Å²	118.7	80%	0.804	64%	0.643	S	S	*	*			cis	-144.8	140	13.2	-154.6	171.9	-144.2	0	0	109.3
48	L	32.4	Very low	41.5	Very low	155 Å²	155	114.7 Å²	114.7	81%	0.812	64%	0.635	S	S	*	*			trans	-105.4	163.8	-157.3	-132	77.8	0	0	0	116.1
49	S	29	Very low	43.6	Very low	103 Å²	103	113.1 Å²	113.1	72%	0.72	62%	0.621	S	S	*	*			trans	-23.2	131.1	168	57.4	0	0	0	0	118.9
50	A	34.6	Very low	46.1	Very low	72 Å²	72	109.9 Å²	109.9	60%	0.595	61%	0.607	S	S	*	*			trans	-146.9	130.4	153.7	0	0	0	0	0	112.2
51	T	35	Very low	48.6	Very low	86 Å²	86	110.5 Å²	110.5	53%	0.528	60%	0.602	S	S	.	*			cis	-151.5	111.8	-21.1	33	0	0	0	0	107.2	T53	T51-T53 VanDerWaalsContact C-N 3.26Å; T51-T53 HydrophobicContact CG2-CG2 4.39Å; T51-T53 PolarHBondContact O-N 3.06Å
52	Y	35.2	Very low	50.6	Low	242 Å²	242	105.4 Å²	105.4	95%	0.949	58%	0.584	S	S	*	*			trans	-88.8	68.6	167.5	-119.6	-82.2	0	0	0	109.4	G54	Y52-G54 PolarHBondContact O-N 2.93Å
53	T	43	Very low	52.8	Low	116 Å²	116	107.4 Å²	107.4	71%	0.712	59%	0.587	S	S	*	*			trans	-72.2	53	176.4	37	0	0	0	0	112	T51 L55	T51-T53 VanDerWaalsContact C-N 3.26Å; T51-T53 HydrophobicContact CG2-CG2 4.39Å; T51-T53 PolarHBondContact O-N 3.06Å; T53-L55 PolarHBondContact O-N 3.32Å
54	G	52.5	Low	54.7	Low	29 Å²	29	98.6 Å²	98.6	30%	0.299	55%	0.553	S	S	.	*			trans	-71.8	114	168.8	0	0	0	0	0	109.3	Y52 H56	Y52-G54 PolarHBondContact O-N 2.93Å; G54-H56 PolarHBondContact O-N 3.34Å
55	L	62	Low	56.6	Low	60 Å²	60	102.6 Å²	102.6	31%	0.314	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.6	121.8	178.4	-68.7	108.8	0	0	0	109.1	T53 F64 M70	T53-L55 PolarHBondContact O-N 3.32Å; L55-F64 PolarHBondContact N-O 3.28Å; L55-F64 WeakPolarHBondContact O-CB 3.13Å; L55-F64 PolarHBondContact O-N 2.88Å; L55-M70 HydrophobicContact CB-CB 4.18Å; L55-M70 HydrophobicContact CB-CE 4.3Å; L55-M70 HydrophobicContact CB-SD 3.77Å; L55-M70 HydrophobicContact CD2-CE 3.69Å; L55-M70 HydrophobicContact CD2-SD 4.3Å
56	H	78.3	Confident	58.6	Low	95 Å²	95	99.1 Å²	99.1	44%	0.44	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.2	-179.1	75.3	-88.1	0	0	0	110.2	G54 S58 C62 F63 M70	G54-H56 PolarHBondContact O-N 3.34Å; H56-S58 PolarHBondContact O-N 2.87Å; H56-C62 CarbonylContact C-O 3.38Å; H56-C62 VanDerWaalsContact CA-O 3.29Å; H56-C62 WeakPolarHBondContact CA-O 3.35Å; H56-F63 HydrophobicContact CB-CD1 3.71Å; H56-F63 HydrophobicContact CB-CE1 3.83Å; H56-F63 HydrophobicContact CB-CG 4.34Å; H56-M70 VanDerWaalsContact O-SD 3.33Å
57	C	80	Confident	60.5	Low	0 Å²	0	95.5 Å²	95.5	0%	0	53%	0.526	C	S	.	.			trans	-75.5	126.3	174.5	-175.1	0	0	0	0	110.7	I59 H61 C62 F64 H73 H77	C57-I59 PolarHBondContact O-N 3.2Å; C57-I59 PolarHBondContact SG-N 2.98Å; C57-I59 VanDerWaalsContact SG-N 3.41Å; C57-H61 WeakPolarHBondContact O-CA 3.38Å; C57-H61 PolarHBondContact O-N 3.38Å; C57-C62 PolarHBondContact N-O 2.99Å; C57-F64 HydrophobicContact CB-CE2 4.09Å; C57-H73 VanDerWaalsContact CB-CD2 3.46Å; C57-H73 WeakPolarHBondContact CB-CD2 3.32Å; C57-H73 VanDerWaalsContact CB-NE2 3.34Å; C57-H73 WeakPolarHBondContact CB-NE2 3.49Å; C57-H73 PolarHBondContact SG-NE2 3.1Å; C57-H77 PolarHBondContact SG-CD2 3.08Å; C57-H77 PolarHBondContact SG-NE2 3.35Å
58	S	73.1	Confident	62.4	Low	89 Å²	89	91.2 Å²	91.2	62%	0.622	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.4	174.2	47.9	0	0	0	0	113.8	H56	H56-S58 PolarHBondContact O-N 2.87Å
59	I	76.1	Confident	64.5	Low	95 Å²	95	87.9 Å²	87.9	49%	0.487	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-25.7	-171.8	-56.7	171.5	0	0	0	112.6	C57 L74 H77	C57-I59 PolarHBondContact O-N 3.2Å; C57-I59 PolarHBondContact SG-N 2.98Å; C57-I59 VanDerWaalsContact SG-N 3.41Å; I59-L74 HydrophobicContact CD1-CD2 4.48Å; I59-H77 HydrophobicContact CD1-CB 3.58Å; I59-H77 HydrophobicContact CG2-CB 4.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.13Å
60	C	81.1	Confident	66.9	Low	53 Å²	53	84.6 Å²	84.6	36%	0.358	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.3	18.8	177.8	80.3	0	0	0	0	115.4	C62 H73 H77	C60-C62 PolarHBondContact O-N 3.09Å; C60-C62 VanDerWaalsContact SG-SG 3.68Å; C60-H73 PolarHBondContact SG-CE1 2.87Å; C60-H73 PolarHBondContact SG-NE2 3.46Å; C60-H77 VanDerWaalsContact SG-CE1 3.59Å; C60-H77 PolarHBondContact SG-NE2 3.23Å; C60-H77 VanDerWaalsContact SG-NE2 3.36Å
61	H	76.9	Confident	69	Low	127 Å²	127	83.7 Å²	83.7	59%	0.588	45%	0.452	S	S	*	.			trans	51	24.9	173	-47.5	-67.1	0	0	0	116.2	C57 F63	C57-H61 WeakPolarHBondContact O-CA 3.38Å; C57-H61 PolarHBondContact O-N 3.38Å; H61-F63 WeakPolarHBondContact O-CD2 3.21Å; H61-F63 WeakPolarHBondContact O-CE2 3.4Å
62	C	75.9	Confident	70.9	Confident	56 Å²	56	83.3 Å²	83.3	38%	0.378	44%	0.441	S	S	.	.			trans	-73.7	134	169.9	-75.6	0	0	0	0	110	H56 C57 C60 F64	H56-C62 CarbonylContact C-O 3.38Å; H56-C62 VanDerWaalsContact CA-O 3.29Å; H56-C62 WeakPolarHBondContact CA-O 3.35Å; C57-C62 PolarHBondContact N-O 2.99Å; C60-C62 PolarHBondContact O-N 3.09Å; C60-C62 VanDerWaalsContact SG-SG 3.68Å; C62-F64 HydrophobicContact CB-CE2 3.78Å; C62-F64 HydrophobicContact CB-CZ 3.56Å; C62-F64 WeakPolarHBondContact O-CD2 3.3Å; C62-F64 WeakPolarHBondContact O-CE2 3.04Å
63	F	72.5	Confident	73.1	Confident	156 Å²	156	73.1 Å²	73.1	68%	0.684	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	139.2	-179	-64.1	-91.2	0	0	0	111.5	H56 H61	H56-F63 HydrophobicContact CB-CD1 3.71Å; H56-F63 HydrophobicContact CB-CE1 3.83Å; H56-F63 HydrophobicContact CB-CG 4.34Å; H61-F63 WeakPolarHBondContact O-CD2 3.21Å; H61-F63 WeakPolarHBondContact O-CE2 3.4Å
64	F	74.4	Confident	74.8	Confident	32 Å²	32	69.5 Å²	69.5	14%	0.14	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.3	-174.8	-59.7	-72.7	0	0	0	111.8	L55 C57 C62 Q69 M70 H73	L55-F64 PolarHBondContact N-O 3.28Å; L55-F64 WeakPolarHBondContact O-CB 3.13Å; L55-F64 PolarHBondContact O-N 2.88Å; C57-F64 HydrophobicContact CB-CE2 4.09Å; C62-F64 HydrophobicContact CB-CE2 3.78Å; C62-F64 HydrophobicContact CB-CZ 3.56Å; C62-F64 WeakPolarHBondContact O-CD2 3.3Å; C62-F64 WeakPolarHBondContact O-CE2 3.04Å; F64-Q69 HydrophobicContact CB-CB 3.89Å; F64-Q69 HydrophobicContact CD1-CB 3.89Å; F64-Q69 HydrophobicContact CG-CB 4.2Å; F64-M70 HydrophobicContact CB-CB 4.16Å; F64-M70 HydrophobicContact CD2-CB 3.79Å; F64-M70 HydrophobicContact CD2-CG 3.87Å; F64-M70 HydrophobicContact CE2-CG 4.38Å; F64-M70 HydrophobicContact CG-CB 4.12Å; F64-H73 HydrophobicContact CE1-CB 3.94Å; F64-H73 HydrophobicContact CE2-CB 4.03Å; F64-H73 AromaticContact CE2-CD2 3.43Å; F64-H73 VanDerWaalsContact CE2-CD2 3.43Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.15Å; F64-H73 AromaticContact CE2-CG 3.74Å; F64-H73 AromaticContact CE2-NE2 3.96Å; F64-H73 HydrophobicContact CZ-CB 3.52Å; F64-H73 AromaticContact CZ-CD2 3.39Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.41Å; F64-H73 AromaticContact CZ-CE1 3.91Å; F64-H73 AromaticContact CZ-CG 3.23Å; F64-H73 AromaticContact CZ-ND1 3.59Å; F64-H73 AromaticContact CZ-NE2 3.8Å
65	N	70.6	Confident	76	Confident	157 Å²	157	69.8 Å²	69.8	84%	0.84	37%	0.372	S	S	*	.	S	Bend	trans	-91.2	-0.4	-175.6	-61.9	-37.4	0	0	0	113.1
66	S	76	Confident	76.5	Confident	45 Å²	45	71.4 Å²	71.4	32%	0.315	38%	0.38	S	S	.	.	S	Bend	trans	-156.5	156.3	173.9	66.4	0	0	0	0	110.6	D68 Q69 M70	S66-D68 VanDerWaalsContact C-N 3.32Å; S66-D68 PolarHBondContact O-N 2.85Å; S66-Q69 WeakPolarHBondContact O-CB 3.24Å; S66-Q69 PolarHBondContact O-N 3.16Å; S66-Q69 VanDerWaalsContact O-N 3.13Å; S66-Q69 WeakPolarHBondContact OG-CG 3.26Å; S66-Q69 PolarHBondContact OG-N 2.89Å; S66-M70 PolarHBondContact O-N 2.99Å
67	S	75.9	Confident	76.5	Confident	65 Å²	65	69.6 Å²	69.6	46%	0.455	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-42.7	178.5	-175.4	0	0	0	0	111.5	Q69 M70 S71	S67-Q69 VanDerWaalsContact C-N 3.28Å; S67-Q69 PolarHBondContact O-N 3.39Å; S67-M70 CarbonylContact O-C 3.58Å; S67-M70 WeakPolarHBondContact O-CA 3.24Å; S67-M70 WeakPolarHBondContact O-CB 3.32Å; S67-M70 PolarHBondContact O-N 3.48Å; S67-S71 PolarHBondContact O-N 3.1Å; S67-S71 PolarHBondContact O-OG 2.68Å
68	D	76.3	Confident	75.9	Confident	82 Å²	82	74.6 Å²	74.6	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-54.4	-38.1	173.4	175.7	37.2	0	0	0	113.1	S66 R72	S66-D68 VanDerWaalsContact C-N 3.32Å; S66-D68 PolarHBondContact O-N 2.85Å; D68-R72 VanDerWaalsContact CG-NE 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CD 3.44Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 2.4Å; D68-R72 IonicContact OD1-CZ 2.68Å; D68-R72 IonicContact OD1-NE 2.78Å; D68-R72 PolarHBondContact OD1-NE 3.45Å; D68-R72 IonicContact OD1-NH2 3.91Å; D68-R72 IonicContact OD2-CZ 2.66Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 3.7Å; D68-R72 PolarHBondContact OD2-NE 2.87Å; D68-R72 VanDerWaalsContact OD2-NE 3.17Å; D68-R72 IonicContact OD2-NH2 2.68Å; D68-R72 PolarHBondContact OD2-NH2 3.44Å
69	Q	76.1	Confident	75.3	Confident	86 Å²	86	76 Å²	76	40%	0.402	40%	0.403	S	S	.	.	H	α-helix	trans	-67.4	-37.2	172.9	-77.4	179.8	1.1	0	0	112.9	F64 S66 S67 H73	F64-Q69 HydrophobicContact CB-CB 3.89Å; F64-Q69 HydrophobicContact CD1-CB 3.89Å; F64-Q69 HydrophobicContact CG-CB 4.2Å; S66-Q69 WeakPolarHBondContact O-CB 3.24Å; S66-Q69 PolarHBondContact O-N 3.16Å; S66-Q69 VanDerWaalsContact O-N 3.13Å; S66-Q69 WeakPolarHBondContact OG-CG 3.26Å; S66-Q69 PolarHBondContact OG-N 2.89Å; S67-Q69 VanDerWaalsContact C-N 3.28Å; S67-Q69 PolarHBondContact O-N 3.39Å; Q69-H73 PolarHBondContact O-N 3.45Å
70	M	79.9	Confident	74.7	Confident	34 Å²	34	72.4 Å²	72.4	17%	0.167	39%	0.39	C	S	.	.	H	α-helix	trans	-69.1	-43.5	175.1	-170	178	71.7	0	0	111.5	L55 H56 F64 S66 S67 R72 H73 L74	L55-M70 HydrophobicContact CB-CB 4.18Å; L55-M70 HydrophobicContact CB-CE 4.3Å; L55-M70 HydrophobicContact CB-SD 3.77Å; L55-M70 HydrophobicContact CD2-CE 3.69Å; L55-M70 HydrophobicContact CD2-SD 4.3Å; H56-M70 VanDerWaalsContact O-SD 3.33Å; F64-M70 HydrophobicContact CB-CB 4.16Å; F64-M70 HydrophobicContact CD2-CB 3.79Å; F64-M70 HydrophobicContact CD2-CG 3.87Å; F64-M70 HydrophobicContact CE2-CG 4.38Å; F64-M70 HydrophobicContact CG-CB 4.12Å; S66-M70 PolarHBondContact O-N 2.99Å; S67-M70 CarbonylContact O-C 3.58Å; S67-M70 WeakPolarHBondContact O-CA 3.24Å; S67-M70 WeakPolarHBondContact O-CB 3.32Å; S67-M70 PolarHBondContact O-N 3.48Å; M70-R72 PolarHBondContact O-N 2.85Å; M70-H73 CarbonylContact O-C 3.54Å; M70-H73 WeakPolarHBondContact O-CA 3.46Å; M70-H73 WeakPolarHBondContact O-CB 3.45Å; M70-H73 PolarHBondContact O-N 3.01Å; M70-L74 HydrophobicContact CE-CD1 4.04Å; M70-L74 HydrophobicContact CG-CD1 3.96Å; M70-L74 HydrophobicContact CG-CG 4.3Å; M70-L74 PolarHBondContact O-N 2.77Å; M70-L74 HydrophobicContact SD-CD1 4.44Å
71	S	78.5	Confident	74.4	Confident	53 Å²	53	75.7 Å²	75.7	37%	0.371	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-44.4	177.4	-59.7	0	0	0	0	112.2	S67 H73 L74 N75	S67-S71 PolarHBondContact O-N 3.1Å; S67-S71 PolarHBondContact O-OG 2.68Å; S71-H73 PolarHBondContact O-N 2.57Å; S71-H73 VanDerWaalsContact O-N 3.1Å; S71-L74 PolarHBondContact O-N 3.23Å; S71-N75 PolarHBondContact O-N 2.9Å; S71-N75 PolarHBondContact O-OD1 2.7Å
72	R	75	Confident	74.4	Confident	78 Å²	78	73.5 Å²	73.5	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-18.7	172.7	-70.7	169.6	-165.7	-142	10.9	114.2	D68 M70 Q94 E96	D68-R72 VanDerWaalsContact CG-NE 3.31Å; D68-R72 WeakPolarHBondContact O-CB 3.32Å; D68-R72 WeakPolarHBondContact O-CD 3.44Å; D68-R72 WeakPolarHBondContact O-CG 3.44Å; D68-R72 PolarHBondContact O-N 2.4Å; D68-R72 IonicContact OD1-CZ 2.68Å; D68-R72 IonicContact OD1-NE 2.78Å; D68-R72 PolarHBondContact OD1-NE 3.45Å; D68-R72 IonicContact OD1-NH2 3.91Å; D68-R72 IonicContact OD2-CZ 2.66Å; D68-R72 VanDerWaalsContact OD2-CZ 3.31Å; D68-R72 IonicContact OD2-NE 3.7Å; D68-R72 PolarHBondContact OD2-NE 2.87Å; D68-R72 VanDerWaalsContact OD2-NE 3.17Å; D68-R72 IonicContact OD2-NH2 2.68Å; D68-R72 PolarHBondContact OD2-NH2 3.44Å; M70-R72 PolarHBondContact O-N 2.85Å; R72-Q94 HydrophobicContact CB-CG 4.4Å; R72-Q94 HydrophobicContact CG-CG 4.47Å; R72-Q94 PolarHBondContact O-NE2 3.09Å; R72-E96 IonicContact CZ-OE1 3.3Å; R72-E96 IonicContact NH1-OE1 3.36Å; R72-E96 PolarHBondContact NH1-OE1 3.45Å
73	H	80.5	Confident	74.5	Confident	27 Å²	27	75 Å²	75	13%	0.125	39%	0.394	C	S	.	.	H	α-helix	trans	-97.5	-36.4	176.7	170.7	85.1	0	0	0	112.4	C57 C60 F64 Q69 M70 S71 N75 I76 H77	C57-H73 VanDerWaalsContact CB-CD2 3.46Å; C57-H73 WeakPolarHBondContact CB-CD2 3.32Å; C57-H73 VanDerWaalsContact CB-NE2 3.34Å; C57-H73 WeakPolarHBondContact CB-NE2 3.49Å; C57-H73 PolarHBondContact SG-NE2 3.1Å; C60-H73 PolarHBondContact SG-CE1 2.87Å; C60-H73 PolarHBondContact SG-NE2 3.46Å; F64-H73 HydrophobicContact CE1-CB 3.94Å; F64-H73 HydrophobicContact CE2-CB 4.03Å; F64-H73 AromaticContact CE2-CD2 3.43Å; F64-H73 VanDerWaalsContact CE2-CD2 3.43Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.15Å; F64-H73 AromaticContact CE2-CG 3.74Å; F64-H73 AromaticContact CE2-NE2 3.96Å; F64-H73 HydrophobicContact CZ-CB 3.52Å; F64-H73 AromaticContact CZ-CD2 3.39Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.41Å; F64-H73 AromaticContact CZ-CE1 3.91Å; F64-H73 AromaticContact CZ-CG 3.23Å; F64-H73 AromaticContact CZ-ND1 3.59Å; F64-H73 AromaticContact CZ-NE2 3.8Å; Q69-H73 PolarHBondContact O-N 3.45Å; M70-H73 CarbonylContact O-C 3.54Å; M70-H73 WeakPolarHBondContact O-CA 3.46Å; M70-H73 WeakPolarHBondContact O-CB 3.45Å; M70-H73 PolarHBondContact O-N 3.01Å; S71-H73 PolarHBondContact O-N 2.57Å; S71-H73 VanDerWaalsContact O-N 3.1Å; H73-N75 PolarHBondContact O-N 3.2Å; H73-I76 WeakPolarHBondContact O-CA 3.36Å; H73-I76 WeakPolarHBondContact O-CB 3.37Å; H73-I76 PolarHBondContact O-N 2.96Å; H73-H77 AromaticContact CD2-CD2 3.84Å; H73-H77 AromaticContact CD2-NE2 3.72Å; H73-H77 AromaticContact CE1-NE2 3.35Å; H73-H77 PolarHBondContact CE1-NE2 2.99Å; H73-H77 VanDerWaalsContact CE1-NE2 3.35Å; H73-H77 AromaticContact NE2-CD2 3.55Å; H73-H77 AromaticContact NE2-NE2 2.94Å; H73-H77 PolarHBondContact NE2-NE2 3.45Å; H73-H77 PolarHBondContact O-N 2.86Å
74	L	78.4	Confident	74.8	Confident	40 Å²	40	71.6 Å²	71.6	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-61.3	-33.7	169.5	-74.8	165.2	0	0	0	111.4	I59 M70 S71 I76 H77 N78	I59-L74 HydrophobicContact CD1-CD2 4.48Å; M70-L74 HydrophobicContact CE-CD1 4.04Å; M70-L74 HydrophobicContact CG-CD1 3.96Å; M70-L74 HydrophobicContact CG-CG 4.3Å; M70-L74 PolarHBondContact O-N 2.77Å; M70-L74 HydrophobicContact SD-CD1 4.44Å; S71-L74 PolarHBondContact O-N 3.23Å; L74-I76 PolarHBondContact O-N 3.09Å; L74-I76 VanDerWaalsContact O-N 3.13Å; L74-H77 PolarHBondContact O-N 3.12Å; L74-H77 VanDerWaalsContact O-N 3.11Å; L74-N78 WeakPolarHBondContact O-CB 3.46Å; L74-N78 PolarHBondContact O-N 3.32Å; L74-N78 PolarHBondContact O-OD1 3.17Å
75	N	79.4	Confident	75.2	Confident	35 Å²	35	70.5 Å²	70.5	19%	0.187	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-20.1	168.1	-73.9	-2.8	0	0	0	114	S71 H73 G80 N93	S71-N75 PolarHBondContact O-N 2.9Å; S71-N75 PolarHBondContact O-OD1 2.7Å; H73-N75 PolarHBondContact O-N 3.2Å; N75-G80 PolarHBondContact O-N 2.82Å; N75-G80 VanDerWaalsContact O-N 3.12Å; N75-G80 VanDerWaalsContact O-O 3.12Å; N75-N93 HydrophobicContact CB-CB 4.16Å; N75-N93 PolarHBondContact ND2-O 3.17Å
76	I	72.9	Confident	75.4	Confident	94 Å²	94	66.9 Å²	66.9	48%	0.482	37%	0.369	S	S	.	.	H	α-helix	trans	-79.6	-44.6	174.3	-52.2	175.1	0	0	0	109.9	H73 L74	H73-I76 WeakPolarHBondContact O-CA 3.36Å; H73-I76 WeakPolarHBondContact O-CB 3.37Å; H73-I76 PolarHBondContact O-N 2.96Å; L74-I76 PolarHBondContact O-N 3.09Å; L74-I76 VanDerWaalsContact O-N 3.13Å
77	H	77.4	Confident	75.3	Confident	58 Å²	58	69.8 Å²	69.8	27%	0.269	38%	0.377	S	S	.	.	H	α-helix	trans	-72	-48.6	-179.4	-66.5	-62	0	0	0	112.9	C57 I59 C60 H73 L74 T79	C57-H77 PolarHBondContact SG-CD2 3.08Å; C57-H77 PolarHBondContact SG-NE2 3.35Å; I59-H77 HydrophobicContact CD1-CB 3.58Å; I59-H77 HydrophobicContact CG2-CB 4.3Å; I59-H77 WeakPolarHBondContact CG2-ND1 3.13Å; C60-H77 VanDerWaalsContact SG-CE1 3.59Å; C60-H77 PolarHBondContact SG-NE2 3.23Å; C60-H77 VanDerWaalsContact SG-NE2 3.36Å; H73-H77 AromaticContact CD2-CD2 3.84Å; H73-H77 AromaticContact CD2-NE2 3.72Å; H73-H77 AromaticContact CE1-NE2 3.35Å; H73-H77 PolarHBondContact CE1-NE2 2.99Å; H73-H77 VanDerWaalsContact CE1-NE2 3.35Å; H73-H77 AromaticContact NE2-CD2 3.55Å; H73-H77 AromaticContact NE2-NE2 2.94Å; H73-H77 PolarHBondContact NE2-NE2 3.45Å; H73-H77 PolarHBondContact O-N 2.86Å; L74-H77 PolarHBondContact O-N 3.12Å; L74-H77 VanDerWaalsContact O-N 3.11Å; H77-T79 PolarHBondContact O-N 3.05Å
78	N	66.6	Low	75.5	Confident	105 Å²	105	69 Å²	69	56%	0.561	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	5	-177	-60.9	6.9	0	0	0	112.6	L74 G80	L74-N78 WeakPolarHBondContact O-CB 3.46Å; L74-N78 PolarHBondContact O-N 3.32Å; L74-N78 PolarHBondContact O-OD1 3.17Å; N78-G80 PolarHBondContact O-N 2.94Å
79	T	61.4	Low	75.6	Confident	117 Å²	117	72.8 Å²	72.8	72%	0.718	39%	0.391	S	S	*	.			trans	53.4	12.7	-165.2	68.9	0	0	0	0	114.7	H77 K81	H77-T79 PolarHBondContact O-N 3.05Å; T79-K81 PolarHBondContact O-N 2.84Å
80	G	64.2	Low	75.7	Confident	21 Å²	21	70 Å²	70	22%	0.216	38%	0.384	C	S	.	.			trans	-62.7	118.4	-170.5	0	0	0	0	0	112.9	N75 N78 P82 N93	N75-G80 PolarHBondContact O-N 2.82Å; N75-G80 VanDerWaalsContact O-N 3.12Å; N75-G80 VanDerWaalsContact O-O 3.12Å; N78-G80 PolarHBondContact O-N 2.94Å; G80-P82 VanDerWaalsContact O-CD 3.29Å; G80-P82 WeakPolarHBondContact O-CD 3.36Å; G80-N93 WeakPolarHBondContact O-CA 3.27Å; G80-N93 WeakPolarHBondContact O-CB 3.17Å
81	K	74	Confident	75.7	Confident	121 Å²	121	70.5 Å²	70.5	53%	0.526	39%	0.39	S	S	.	.			trans	-119	61.8	177.2	-68.6	168.9	178.4	178.6	0	111.4	T79 Y83 S91 F92	T79-K81 PolarHBondContact O-N 2.84Å; K81-Y83 PolarHBondContact O-N 3.07Å; K81-Y83 VanDerWaalsContact O-N 3.15Å; K81-S91 WeakPolarHBondContact CD-O 3.45Å; K81-S91 WeakPolarHBondContact CD-OG 3.5Å; K81-F92 CarbonylContact C-O 3.6Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å
82	P	75.8	Confident	75.9	Confident	81 Å²	81	70.1 Å²	70.1	53%	0.526	38%	0.382	S	S	.	.			trans	-65.7	-18.2	-172.4	27.5	-35.5	0	0	0	113.8	G80 V84	G80-P82 VanDerWaalsContact O-CD 3.29Å; G80-P82 WeakPolarHBondContact O-CD 3.36Å; P82-V84 PolarHBondContact O-N 3.43Å
83	Y	79.5	Confident	76.1	Confident	87 Å²	87	68.5 Å²	68.5	34%	0.341	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	83.8	-179.7	-54.9	-77	0	0	0	110.3	K81 F92 Q94 A95	K81-Y83 PolarHBondContact O-N 3.07Å; K81-Y83 VanDerWaalsContact O-N 3.15Å; Y83-F92 WeakPolarHBondContact CB-O 3.45Å; Y83-F92 WeakPolarHBondContact CD2-O 3.42Å; Y83-F92 PolarHBondContact N-O 3.05Å; Y83-F92 WeakPolarHBondContact O-CD2 3.29Å; Y83-F92 PolarHBondContact O-N 3.04Å; Y83-Q94 VanDerWaalsContact CD2-CA 3.5Å; Y83-A95 HydrophobicContact CD1-CB 3.86Å; Y83-A95 VanDerWaalsContact CD2-N 3.28Å; Y83-A95 HydrophobicContact CE1-CB 3.66Å; Y83-A95 HydrophobicContact CE2-CB 4.38Å; Y83-A95 VanDerWaalsContact CE2-N 3.31Å; Y83-A95 HydrophobicContact CG-CB 4.31Å
84	V	79.1	Confident	75.9	Confident	86 Å²	86	69.4 Å²	69.4	52%	0.521	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	144.6	173.1	-169.2	0	0	0	0	110	P82 L98	P82-V84 PolarHBondContact O-N 3.43Å; V84-L98 WeakPolarHBondContact O-CD2 3.26Å
85	C	81.3	Confident	75.8	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.061	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134	173.8	-173.6	0	0	0	0	112.3	H87 C88 A90 L98 H101 H106	C85-H87 PolarHBondContact O-N 3.44Å; C85-H87 PolarHBondContact SG-N 3.31Å; C85-H87 VanDerWaalsContact SG-N 3.44Å; C85-C88 WeakPolarHBondContact CB-O 3.43Å; C85-A90 PolarHBondContact N-O 3.33Å; C85-L98 HydrophobicContact CB-CD1 3.49Å; C85-L98 VanDerWaalsContact CB-CD1 3.49Å; C85-H101 VanDerWaalsContact SG-CD2 3.55Å; C85-H106 PolarHBondContact SG-CD2 3.03Å
86	S	75.1	Confident	75.5	Confident	80 Å²	80	73.5 Å²	73.5	56%	0.559	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.8	173.7	46.6	0	0	0	0	114.3
87	H	74.7	Confident	75.8	Confident	107 Å²	107	72.2 Å²	72.2	50%	0.495	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-10	-172.6	-54.5	-69.3	0	0	0	114	C85 H106	C85-H87 PolarHBondContact O-N 3.44Å; C85-H87 PolarHBondContact SG-N 3.31Å; C85-H87 VanDerWaalsContact SG-N 3.44Å; H87-H106 HydrophobicContact CB-CB 4.05Å; H87-H106 VanDerWaalsContact CB-CG 3.44Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 AromaticContact CD2-CG 3.89Å; H87-H106 AromaticContact CG-CG 3.9Å
88	C	78.9	Confident	76	Confident	48 Å²	48	70.8 Å²	70.8	32%	0.324	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	162.9	165	72.2	0	0	0	0	111.6	C85 A90 H101 H106	C85-C88 WeakPolarHBondContact CB-O 3.43Å; C88-A90 PolarHBondContact O-N 2.84Å; C88-H101 PolarHBondContact SG-NE2 2.96Å; C88-H106 PolarHBondContact SG-NE2 3.3Å
89	N	78.2	Confident	76.3	Confident	161 Å²	161	73.9 Å²	73.9	86%	0.861	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	22.9	-173.7	-54.8	9.6	0	0	0	114.9
90	A	78.9	Confident	76.7	Confident	29 Å²	29	71.4 Å²	71.4	24%	0.24	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.9	172.8	0	0	0	0	0	110.4	C85 C88 F92	C85-A90 PolarHBondContact N-O 3.33Å; C88-A90 PolarHBondContact O-N 2.84Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.76Å; A90-F92 VanDerWaalsContact O-CE2 3.32Å; A90-F92 WeakPolarHBondContact O-CE2 3.43Å
91	S	80.8	Confident	77.2	Confident	44 Å²	44	71.3 Å²	71.3	31%	0.308	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.6	179.8	59.4	0	0	0	0	112.4	K81	K81-S91 WeakPolarHBondContact CD-O 3.45Å; K81-S91 WeakPolarHBondContact CD-OG 3.5Å
92	F	81.1	Confident	77.1	Confident	44 Å²	44	67.8 Å²	67.8	19%	0.193	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.8	-170.8	-57.4	-82.6	0	0	0	112.1	K81 Y83 A90 Q94 N97 L98 H101	K81-F92 CarbonylContact C-O 3.6Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å; Y83-F92 WeakPolarHBondContact CB-O 3.45Å; Y83-F92 WeakPolarHBondContact CD2-O 3.42Å; Y83-F92 PolarHBondContact N-O 3.05Å; Y83-F92 WeakPolarHBondContact O-CD2 3.29Å; Y83-F92 PolarHBondContact O-N 3.04Å; A90-F92 HydrophobicContact CB-CE2 3.77Å; A90-F92 HydrophobicContact CB-CZ 3.76Å; A90-F92 VanDerWaalsContact O-CE2 3.32Å; A90-F92 WeakPolarHBondContact O-CE2 3.43Å; F92-Q94 VanDerWaalsContact C-N 3.34Å; F92-N97 HydrophobicContact CB-CB 4.03Å; F92-N97 HydrophobicContact CD1-CB 3.85Å; F92-N97 HydrophobicContact CG-CB 4.17Å; F92-L98 HydrophobicContact CB-CB 4.33Å; F92-L98 HydrophobicContact CD2-CB 3.86Å; F92-L98 HydrophobicContact CD2-CD1 3.86Å; F92-L98 HydrophobicContact CD2-CG 4.47Å; F92-L98 HydrophobicContact CE2-CD1 4.04Å; F92-L98 HydrophobicContact CG-CB 4.31Å; F92-H101 HydrophobicContact CE1-CB 4.11Å; F92-H101 HydrophobicContact CE2-CB 3.66Å; F92-H101 AromaticContact CE2-CD2 3.7Å; F92-H101 AromaticContact CE2-CG 3.57Å; F92-H101 HydrophobicContact CZ-CB 3.4Å; F92-H101 VanDerWaalsContact CZ-CB 3.4Å; F92-H101 AromaticContact CZ-CD2 3.92Å; F92-H101 AromaticContact CZ-CG 3.35Å; F92-H101 AromaticContact CZ-ND1 3.57Å
93	N	79.4	Confident	76.7	Confident	44 Å²	44	66.1 Å²	66.1	24%	0.235	36%	0.357	C	S	.	.	S	Bend	trans	-79.5	-13.1	179.9	61.3	-12.5	0	0	0	114.2	N75 G80 N97	N75-N93 HydrophobicContact CB-CB 4.16Å; N75-N93 PolarHBondContact ND2-O 3.17Å; G80-N93 WeakPolarHBondContact O-CA 3.27Å; G80-N93 WeakPolarHBondContact O-CB 3.17Å; N93-N97 PolarHBondContact OD1-ND2 2.79Å
94	Q	76.9	Confident	75.5	Confident	47 Å²	47	64.1 Å²	64.1	22%	0.22	35%	0.352	C	S	.	.	S	Bend	trans	-145.4	138.4	-177.3	-63	177.5	-7.1	0	0	110.2	R72 Y83 F92 E96 N97 L98	R72-Q94 HydrophobicContact CB-CG 4.4Å; R72-Q94 HydrophobicContact CG-CG 4.47Å; R72-Q94 PolarHBondContact O-NE2 3.09Å; Y83-Q94 VanDerWaalsContact CD2-CA 3.5Å; F92-Q94 VanDerWaalsContact C-N 3.34Å; Q94-E96 PolarHBondContact O-N 2.9Å; Q94-N97 WeakPolarHBondContact O-CB 3.27Å; Q94-N97 PolarHBondContact O-N 2.85Å; Q94-L98 PolarHBondContact O-N 3.18Å
95	A	76.4	Confident	74.8	Confident	49 Å²	49	65 Å²	65	41%	0.405	35%	0.347	S	S	.	.	H	α-helix	trans	-56.5	-35.5	-179.3	0	0	0	0	0	112.9	Y83 N97 L98 Y99	Y83-A95 HydrophobicContact CD1-CB 3.86Å; Y83-A95 VanDerWaalsContact CD2-N 3.28Å; Y83-A95 HydrophobicContact CE1-CB 3.66Å; Y83-A95 HydrophobicContact CE2-CB 4.38Å; Y83-A95 VanDerWaalsContact CE2-N 3.31Å; Y83-A95 HydrophobicContact CG-CB 4.31Å; A95-N97 VanDerWaalsContact C-N 3.25Å; A95-N97 PolarHBondContact O-N 2.8Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-L98 VanDerWaalsContact O-N 3.11Å; A95-Y99 PolarHBondContact O-N 3.34Å
96	E	73.7	Confident	74.3	Confident	111 Å²	111	66.8 Å²	66.8	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-58.4	-36.2	176.6	-63.4	171.1	-153.8	0	0	112.1	R72 Q94 V100	R72-E96 IonicContact CZ-OE1 3.3Å; R72-E96 IonicContact NH1-OE1 3.36Å; R72-E96 PolarHBondContact NH1-OE1 3.45Å; Q94-E96 PolarHBondContact O-N 2.9Å; E96-V100 WeakPolarHBondContact O-CB 3.45Å; E96-V100 VanDerWaalsContact O-CG2 3.27Å; E96-V100 WeakPolarHBondContact O-CG2 3.29Å; E96-V100 PolarHBondContact O-N 3.32Å; E96-V100 VanDerWaalsContact O-N 3.09Å
97	N	77.4	Confident	73.1	Confident	68 Å²	68	67.1 Å²	67.1	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-75	-35	176.4	-70.6	-37.6	0	0	0	112.1	F92 N93 Q94 A95 H101	F92-N97 HydrophobicContact CB-CB 4.03Å; F92-N97 HydrophobicContact CD1-CB 3.85Å; F92-N97 HydrophobicContact CG-CB 4.17Å; N93-N97 PolarHBondContact OD1-ND2 2.79Å; Q94-N97 WeakPolarHBondContact O-CB 3.27Å; Q94-N97 PolarHBondContact O-N 2.85Å; A95-N97 VanDerWaalsContact C-N 3.25Å; A95-N97 PolarHBondContact O-N 2.8Å; N97-H101 WeakPolarHBondContact O-CB 3.38Å; N97-H101 PolarHBondContact O-N 2.84Å
98	L	81.6	Confident	71.2	Confident	28 Å²	28	70 Å²	70	15%	0.147	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-45.1	172.9	172.2	59.9	0	0	0	111.4	V84 C85 F92 Q94 A95 V100 H101 I102	V84-L98 WeakPolarHBondContact O-CD2 3.26Å; C85-L98 HydrophobicContact CB-CD1 3.49Å; C85-L98 VanDerWaalsContact CB-CD1 3.49Å; F92-L98 HydrophobicContact CB-CB 4.33Å; F92-L98 HydrophobicContact CD2-CB 3.86Å; F92-L98 HydrophobicContact CD2-CD1 3.86Å; F92-L98 HydrophobicContact CD2-CG 4.47Å; F92-L98 HydrophobicContact CE2-CD1 4.04Å; F92-L98 HydrophobicContact CG-CB 4.31Å; Q94-L98 PolarHBondContact O-N 3.18Å; A95-L98 PolarHBondContact O-N 2.9Å; A95-L98 VanDerWaalsContact O-N 3.11Å; L98-V100 PolarHBondContact O-N 3.3Å; L98-H101 CarbonylContact O-C 3.53Å; L98-H101 WeakPolarHBondContact O-CA 3.38Å; L98-H101 WeakPolarHBondContact O-CB 3.25Å; L98-H101 PolarHBondContact O-N 3.25Å; L98-I102 HydrophobicContact CD1-CD1 3.9Å; L98-I102 HydrophobicContact CD1-CG1 4.02Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 PolarHBondContact O-N 3.45Å
99	Y	73.3	Confident	68.9	Low	169 Å²	169	73.4 Å²	73.4	66%	0.663	39%	0.392	S	S	*	.	H	α-helix	trans	-58.8	-47.7	175.7	-177.6	-93.6	0	0	0	111.1	A95 H101 I102 S103	A95-Y99 PolarHBondContact O-N 3.34Å; Y99-H101 PolarHBondContact O-N 3.21Å; Y99-I102 PolarHBondContact O-N 2.91Å; Y99-S103 WeakPolarHBondContact O-CB 3.29Å; Y99-S103 PolarHBondContact O-N 3.07Å; Y99-S103 PolarHBondContact O-OG 3.06Å; Y99-S103 VanDerWaalsContact O-OG 3.11Å
100	V	70.3	Confident	66.8	Low	66 Å²	66	75.1 Å²	75.1	40%	0.4	40%	0.395	S	S	.	.	H	α-helix	trans	-60.8	-29.3	174.3	168.1	0	0	0	0	112.5	E96 L98 L104	E96-V100 WeakPolarHBondContact O-CB 3.45Å; E96-V100 VanDerWaalsContact O-CG2 3.27Å; E96-V100 WeakPolarHBondContact O-CG2 3.29Å; E96-V100 PolarHBondContact O-N 3.32Å; E96-V100 VanDerWaalsContact O-N 3.09Å; L98-V100 PolarHBondContact O-N 3.3Å; V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 VanDerWaalsContact O-CB 3.26Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 WeakPolarHBondContact O-CD1 3.14Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.89Å
101	H	75.2	Confident	64.9	Low	19 Å²	19	80.6 Å²	80.6	9%	0.088	42%	0.42	C	S	.	.	H	α-helix	trans	-72.9	-50.3	172.9	172.1	81.6	0	0	0	111.9	C85 C88 F92 N97 L98 Y99 S103 L104 Y105 H106	C85-H101 VanDerWaalsContact SG-CD2 3.55Å; C88-H101 PolarHBondContact SG-NE2 2.96Å; F92-H101 HydrophobicContact CE1-CB 4.11Å; F92-H101 HydrophobicContact CE2-CB 3.66Å; F92-H101 AromaticContact CE2-CD2 3.7Å; F92-H101 AromaticContact CE2-CG 3.57Å; F92-H101 HydrophobicContact CZ-CB 3.4Å; F92-H101 VanDerWaalsContact CZ-CB 3.4Å; F92-H101 AromaticContact CZ-CD2 3.92Å; F92-H101 AromaticContact CZ-CG 3.35Å; F92-H101 AromaticContact CZ-ND1 3.57Å; N97-H101 WeakPolarHBondContact O-CB 3.38Å; N97-H101 PolarHBondContact O-N 2.84Å; L98-H101 CarbonylContact O-C 3.53Å; L98-H101 WeakPolarHBondContact O-CA 3.38Å; L98-H101 WeakPolarHBondContact O-CB 3.25Å; L98-H101 PolarHBondContact O-N 3.25Å; Y99-H101 PolarHBondContact O-N 3.21Å; H101-S103 VanDerWaalsContact C-N 3.32Å; H101-S103 PolarHBondContact O-N 3.08Å; H101-L104 PolarHBondContact O-N 3.1Å; H101-Y105 HydrophobicContact CB-CD2 4.46Å; H101-Y105 AromaticContact CE1-CD2 3.59Å; H101-Y105 AromaticContact CG-CD2 3.88Å; H101-Y105 AromaticContact ND1-CD2 3.12Å; H101-Y105 WeakPolarHBondContact ND1-CD2 3.24Å; H101-Y105 AromaticContact ND1-CE2 3.52Å; H101-Y105 VanDerWaalsContact O-CD2 3.29Å; H101-Y105 WeakPolarHBondContact O-CD2 2.96Å; H101-Y105 PolarHBondContact O-N 3.05Å; H101-H106 AromaticContact CD2-CD2 3.79Å; H101-H106 AromaticContact CD2-NE2 3.71Å; H101-H106 AromaticContact CE1-NE2 3.72Å; H101-H106 AromaticContact NE2-CD2 3.51Å; H101-H106 AromaticContact NE2-NE2 2.95Å; H101-H106 PolarHBondContact NE2-NE2 3.44Å
102	I	71.3	Confident	63	Low	47 Å²	47	85.7 Å²	85.7	24%	0.241	44%	0.439	C	S	.	.	H	α-helix	trans	-56	-48.3	177.3	-65.9	169.8	0	0	0	110.2	L98 Y99 L104 Y105 H106 T107	L98-I102 HydrophobicContact CD1-CD1 3.9Å; L98-I102 HydrophobicContact CD1-CG1 4.02Å; L98-I102 HydrophobicContact CG-CD1 4Å; L98-I102 PolarHBondContact O-N 3.45Å; Y99-I102 PolarHBondContact O-N 2.91Å; I102-L104 PolarHBondContact O-N 3.29Å; I102-L104 VanDerWaalsContact O-N 3.13Å; I102-Y105 PolarHBondContact O-N 2.94Å; I102-H106 HydrophobicContact CG2-CB 4.45Å; I102-H106 PolarHBondContact O-N 3.19Å; I102-T107 HydrophobicContact CG2-CG2 4.47Å; I102-T107 PolarHBondContact O-N 3.47Å; I102-T107 VanDerWaalsContact O-N 3.09Å
103	S	67.3	Low	61.4	Low	45 Å²	45	90 Å²	90	32%	0.315	46%	0.464	S	S	.	.	H	α-helix	trans	-70.1	1.1	176.7	-51.7	0	0	0	0	116.1	Y99 H101	Y99-S103 WeakPolarHBondContact O-CB 3.29Å; Y99-S103 PolarHBondContact O-N 3.07Å; Y99-S103 PolarHBondContact O-OG 3.06Å; Y99-S103 VanDerWaalsContact O-OG 3.11Å; H101-S103 VanDerWaalsContact C-N 3.32Å; H101-S103 PolarHBondContact O-N 3.08Å
104	L	54.7	Low	60.6	Low	46 Å²	46	89.6 Å²	89.6	24%	0.241	46%	0.461	C	S	.	.	H	α-helix	trans	-122.9	-15.7	176.5	-74.4	178.5	0	0	0	114.4	V100 H101 I102	V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 VanDerWaalsContact O-CB 3.26Å; V100-L104 WeakPolarHBondContact O-CB 3.5Å; V100-L104 WeakPolarHBondContact O-CD1 3.14Å; V100-L104 WeakPolarHBondContact O-CG 3.44Å; V100-L104 PolarHBondContact O-N 2.89Å; H101-L104 PolarHBondContact O-N 3.1Å; I102-L104 PolarHBondContact O-N 3.29Å; I102-L104 VanDerWaalsContact O-N 3.13Å
105	Y	63.6	Low	59.8	Low	104 Å²	104	91.3 Å²	91.3	41%	0.408	47%	0.466	S	S	.	.	H	α-helix	trans	-128.4	-26.5	-175.9	-62.2	-79.3	0	0	0	114.4	H101 I102 R126	H101-Y105 HydrophobicContact CB-CD2 4.46Å; H101-Y105 AromaticContact CE1-CD2 3.59Å; H101-Y105 AromaticContact CG-CD2 3.88Å; H101-Y105 AromaticContact ND1-CD2 3.12Å; H101-Y105 WeakPolarHBondContact ND1-CD2 3.24Å; H101-Y105 AromaticContact ND1-CE2 3.52Å; H101-Y105 VanDerWaalsContact O-CD2 3.29Å; H101-Y105 WeakPolarHBondContact O-CD2 2.96Å; H101-Y105 PolarHBondContact O-N 3.05Å; I102-Y105 PolarHBondContact O-N 2.94Å; Y105-R126 PolarHBondContact OH-NE 3.09Å; Y105-R126 PolarHBondContact OH-NH2 2.87Å
106	H	71.6	Confident	59.3	Low	46 Å²	46	92.5 Å²	92.5	21%	0.213	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-18	-167.6	-57.2	-56.5	0	0	0	114.2	C85 H87 C88 H101 I102 M108	C85-H106 PolarHBondContact SG-CD2 3.03Å; H87-H106 HydrophobicContact CB-CB 4.05Å; H87-H106 VanDerWaalsContact CB-CG 3.44Å; H87-H106 WeakPolarHBondContact CB-ND1 3.34Å; H87-H106 AromaticContact CD2-CG 3.89Å; H87-H106 AromaticContact CG-CG 3.9Å; C88-H106 PolarHBondContact SG-NE2 3.3Å; H101-H106 AromaticContact CD2-CD2 3.79Å; H101-H106 AromaticContact CD2-NE2 3.71Å; H101-H106 AromaticContact CE1-NE2 3.72Å; H101-H106 AromaticContact NE2-CD2 3.51Å; H101-H106 AromaticContact NE2-NE2 2.95Å; H101-H106 PolarHBondContact NE2-NE2 3.44Å; I102-H106 HydrophobicContact CG2-CB 4.45Å; I102-H106 PolarHBondContact O-N 3.19Å; H106-M108 PolarHBondContact O-N 3.08Å
107	T	49.1	Very low	59.3	Low	88 Å²	88	87.2 Å²	87.2	54%	0.54	44%	0.441	S	S	.	.			trans	-70.8	78	168.6	50.4	0	0	0	0	111.3	I102 C109	I102-T107 HydrophobicContact CG2-CG2 4.47Å; I102-T107 PolarHBondContact O-N 3.47Å; I102-T107 VanDerWaalsContact O-N 3.09Å; T107-C109 PolarHBondContact O-N 3.06Å
108	M	34.8	Very low	58.3	Low	167 Å²	167	87 Å²	87	82%	0.823	44%	0.444	S	S	*	.			trans	-76	97.7	175.6	-70.8	-68.4	-172.3	0	0	111.1	H106	H106-M108 PolarHBondContact O-N 3.08Å
109	C	32.4	Very low	57.4	Low	120 Å²	120	90.1 Å²	90.1	81%	0.811	46%	0.46	S	S	*	.			trans	-132.5	141.9	160	-92.6	0	0	0	0	109.3	T107 N111	T107-C109 PolarHBondContact O-N 3.06Å; C109-N111 VanDerWaalsContact C-N 3.31Å; C109-N111 PolarHBondContact O-N 2.95Å
110	E	33.8	Very low	57.5	Low	197 Å²	197	84.6 Å²	84.6	92%	0.921	45%	0.445	S	S	*	.	S	Bend	trans	-77.8	61.9	-161.6	-62	-164.8	117.4	0	0	115.8
111	N	39.3	Very low	57.2	Low	144 Å²	144	86.6 Å²	86.6	77%	0.77	45%	0.454	S	S	*	.			trans	-152.1	114.6	154.7	-94.2	-67.7	0	0	0	109.9	C109 D113	C109-N111 VanDerWaalsContact C-N 3.31Å; C109-N111 PolarHBondContact O-N 2.95Å; N111-D113 VanDerWaalsContact C-N 3.28Å; N111-D113 PolarHBondContact O-N 2.71Å
112	Q	40.4	Very low	57.1	Low	150 Å²	150	89.9 Å²	89.9	70%	0.701	47%	0.468	S	S	*	.			trans	-70.9	84.9	173.1	-72.7	-172.4	-7.2	0	0	110.5	H114	Q112-H114 PolarHBondContact O-N 3.06Å; Q112-H114 PolarHBondContact O-ND1 3.32Å; Q112-H114 PolarHBondContact OE1-CE1 3.47Å
113	D	47.5	Very low	57	Low	135 Å²	135	93.8 Å²	93.8	72%	0.722	48%	0.479	S	S	*	.			trans	-71.9	77.5	174.8	-106.1	-9.8	0	0	0	110.8	N111 Y115	N111-D113 VanDerWaalsContact C-N 3.28Å; N111-D113 PolarHBondContact O-N 2.71Å; D113-Y115 PolarHBondContact O-N 3.43Å
114	H	62.5	Low	57.2	Low	36 Å²	36	93.6 Å²	93.6	17%	0.167	47%	0.473	C	S	.	.			trans	-61.9	122.2	171.9	-55.4	42.1	0	0	0	107.8	Q112 N116 R123 F124	Q112-H114 PolarHBondContact O-N 3.06Å; Q112-H114 PolarHBondContact O-ND1 3.32Å; Q112-H114 PolarHBondContact OE1-CE1 3.47Å; H114-N116 PolarHBondContact O-N 3.25Å; H114-N116 PolarHBondContact O-ND2 2.95Å; H114-N116 PolarHBondContact O-OD1 3.21Å; H114-R123 HydrophobicContact CB-CB 3.92Å; H114-R123 PolarHBondContact CD2-NH1 3.37Å; H114-R123 PolarHBondContact CE1-NH1 2.94Å; H114-R123 PolarHBondContact ND1-NH2 3.25Å; H114-R123 PolarHBondContact NE2-NH1 3.15Å; H114-F124 CarbonylContact C-O 3.53Å; H114-F124 WeakPolarHBondContact CA-O 3.33Å
115	Y	59.7	Low	57.5	Low	83 Å²	83	97.5 Å²	97.5	33%	0.325	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	109.5	171.9	-57.1	-81.7	0	0	0	109	D113 F124 F127 Y130	D113-Y115 PolarHBondContact O-N 3.43Å; Y115-F124 PolarHBondContact N-O 2.79Å; Y115-F124 WeakPolarHBondContact O-CD2 3.5Å; Y115-F124 PolarHBondContact O-N 3.33Å; Y115-F127 AromaticContact CD1-CD2 3.99Å; Y115-F127 HydrophobicContact CD1-CD2 3.99Å; Y115-F127 HydrophobicContact CD2-CB 4.39Å; Y115-F127 HydrophobicContact CE1-CB 4.29Å; Y115-F127 AromaticContact CE1-CD2 3.69Å; Y115-F127 HydrophobicContact CE1-CD2 3.69Å; Y115-F127 HydrophobicContact CE1-CG 4.43Å; Y115-F127 HydrophobicContact CE2-CB 3.77Å; Y115-Y130 VanDerWaalsContact CB-CG 3.43Å; Y115-Y130 HydrophobicContact CD1-CD1 4.15Å; Y115-Y130 HydrophobicContact CD1-CE1 4.46Å; Y115-Y130 HydrophobicContact CG-CD1 4.18Å; Y115-Y130 HydrophobicContact CG-CG 4.1Å
116	N	65.8	Low	57.3	Low	74 Å²	74	98.7 Å²	98.7	40%	0.396	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.6	-176.5	-50.1	-67.2	0	0	0	109.4	H114 C118 R123	H114-N116 PolarHBondContact O-N 3.25Å; H114-N116 PolarHBondContact O-ND2 2.95Å; H114-N116 PolarHBondContact O-OD1 3.21Å; N116-C118 PolarHBondContact O-N 3.37Å; N116-R123 VanDerWaalsContact OD1-CG 3.24Å; N116-R123 WeakPolarHBondContact OD1-CG 3.14Å; N116-R123 PolarHBondContact OD1-NE 2.78Å
117	C	72.8	Confident	56.9	Low	0 Å²	0	101.1 Å²	101.1	0%	0	51%	0.508	C	S	.	.			trans	-73.1	112.3	178	-172.9	0	0	0	0	111.6	L119 C120 D121 K122 F124 H133 H137	C117-L119 PolarHBondContact O-N 3.46Å; C117-C120 PolarHBondContact O-N 3.32Å; C117-C120 VanDerWaalsContact O-N 3.16Å; C117-D121 WeakPolarHBondContact O-CA 3.32Å; C117-D121 PolarHBondContact O-N 2.74Å; C117-K122 PolarHBondContact N-O 3.26Å; C117-F124 HydrophobicContact CB-CE2 4.32Å; C117-H133 VanDerWaalsContact CB-CD2 3.41Å; C117-H133 WeakPolarHBondContact CB-CD2 3.16Å; C117-H133 WeakPolarHBondContact CB-NE2 3.48Å; C117-H133 VanDerWaalsContact SG-CD2 3.51Å; C117-H133 PolarHBondContact SG-NE2 3.31Å; C117-H133 VanDerWaalsContact SG-NE2 3.4Å; C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.12Å
118	C	56.4	Low	57.5	Low	63 Å²	63	100.5 Å²	100.5	43%	0.426	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-1.8	179.7	60.9	0	0	0	0	115.8	N116 F534	N116-C118 PolarHBondContact O-N 3.37Å; C118-F534 HydrophobicContact CB-CE1 3.89Å; C118-F534 HydrophobicContact CB-CZ 3.6Å
119	L	62.8	Low	59.2	Low	94 Å²	94	94.3 Å²	94.3	49%	0.492	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-13.2	-179.9	-60.4	174.9	0	0	0	113.6	C117 H137	C117-L119 PolarHBondContact O-N 3.46Å; L119-H137 WeakPolarHBondContact CB-ND1 3.49Å; L119-H137 HydrophobicContact CD1-CB 3.46Å; L119-H137 VanDerWaalsContact CD1-CB 3.46Å
120	C	75.7	Confident	61.2	Low	52 Å²	52	90.9 Å²	90.9	35%	0.351	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	10.3	173.8	67.7	0	0	0	0	115.6	C117 K122 H133	C117-C120 PolarHBondContact O-N 3.32Å; C117-C120 VanDerWaalsContact O-N 3.16Å; C120-K122 PolarHBondContact O-N 3.09Å; C120-K122 VanDerWaalsContact SG-CG 3.58Å; C120-H133 VanDerWaalsContact SG-CE1 3.59Å; C120-H133 PolarHBondContact SG-NE2 3.48Å
121	D	64.2	Low	62.8	Low	109 Å²	109	87.4 Å²	87.4	58%	0.583	43%	0.431	S	S	*	.			trans	56.2	12.7	-179.4	-61.4	-34.9	0	0	0	116	C117	C117-D121 WeakPolarHBondContact O-CA 3.32Å; C117-D121 PolarHBondContact O-N 2.74Å
122	K	72.4	Confident	64.3	Low	87 Å²	87	83.9 Å²	83.9	38%	0.378	42%	0.418	S	S	.	.			trans	-63.5	132.4	169.7	-70.3	178.4	-172	178	0	109.9	C117 C120 F124 E153	C117-K122 PolarHBondContact N-O 3.26Å; C120-K122 PolarHBondContact O-N 3.09Å; C120-K122 VanDerWaalsContact SG-CG 3.58Å; K122-F124 HydrophobicContact CB-CE2 3.72Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CE2 3.26Å; K122-E153 IonicContact NZ-OE1 2.88Å; K122-E153 IonicContact NZ-OE2 3.05Å; K122-E153 PolarHBondContact NZ-OE2 3.24Å
123	R	69.7	Low	65.9	Low	129 Å²	129	77.3 Å²	77.3	49%	0.487	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.3	-179.8	-42.8	-169.9	73.9	-159.1	5	110.7	H114 N116	H114-R123 HydrophobicContact CB-CB 3.92Å; H114-R123 PolarHBondContact CD2-NH1 3.37Å; H114-R123 PolarHBondContact CE1-NH1 2.94Å; H114-R123 PolarHBondContact ND1-NH2 3.25Å; H114-R123 PolarHBondContact NE2-NH1 3.15Å; N116-R123 VanDerWaalsContact OD1-CG 3.24Å; N116-R123 WeakPolarHBondContact OD1-CG 3.14Å; N116-R123 PolarHBondContact OD1-NE 2.78Å
124	F	71.4	Confident	66.9	Low	41 Å²	41	72.9 Å²	72.9	18%	0.18	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.4	179.5	-59.2	-89.1	0	0	0	111.2	H114 Y115 C117 K122 A129 Y130 H133	H114-F124 CarbonylContact C-O 3.53Å; H114-F124 WeakPolarHBondContact CA-O 3.33Å; Y115-F124 PolarHBondContact N-O 2.79Å; Y115-F124 WeakPolarHBondContact O-CD2 3.5Å; Y115-F124 PolarHBondContact O-N 3.33Å; C117-F124 HydrophobicContact CB-CE2 4.32Å; K122-F124 HydrophobicContact CB-CE2 3.72Å; K122-F124 HydrophobicContact CB-CZ 3.85Å; K122-F124 WeakPolarHBondContact O-CE2 3.26Å; F124-A129 HydrophobicContact CB-CB 4.46Å; F124-A129 HydrophobicContact CD1-CB 3.87Å; F124-A129 HydrophobicContact CG-CB 4.5Å; F124-Y130 HydrophobicContact CD2-CD2 4.24Å; F124-H133 HydrophobicContact CE1-CB 3.96Å; F124-H133 HydrophobicContact CE2-CB 3.89Å; F124-H133 AromaticContact CE2-CD2 3.29Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H133 AromaticContact CE2-CG 3.57Å; F124-H133 AromaticContact CE2-NE2 3.96Å; F124-H133 HydrophobicContact CZ-CB 3.5Å; F124-H133 VanDerWaalsContact CZ-CB 3.5Å; F124-H133 AromaticContact CZ-CD2 3.44Å; F124-H133 VanDerWaalsContact CZ-CD2 3.44Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.5Å; F124-H133 AromaticContact CZ-CG 3.22Å; F124-H133 AromaticContact CZ-ND1 3.71Å; F124-H133 AromaticContact CZ-NE2 3.99Å
125	L	61.4	Low	67.2	Low	128 Å²	128	75.2 Å²	75.2	67%	0.67	38%	0.376	S	S	*	.	S	Bend	trans	-79	-23.2	173.6	-79.3	80.2	0	0	0	112.9
126	R	59.6	Low	67.4	Low	130 Å²	130	73.3 Å²	73.3	49%	0.491	37%	0.372	S	S	.	.	S	Bend	trans	-112.4	130.8	-175.5	-64.5	175.2	177	158.2	-2.3	110.6	Y105 T128 A129 Y130	Y105-R126 PolarHBondContact OH-NE 3.09Å; Y105-R126 PolarHBondContact OH-NH2 2.87Å; R126-T128 PolarHBondContact O-N 3.29Å; R126-A129 HydrophobicContact CB-CB 4.13Å; R126-A129 PolarHBondContact O-N 3.48Å; R126-A129 VanDerWaalsContact O-N 3.11Å; R126-Y130 PolarHBondContact O-N 3.04Å
127	F	62.4	Low	67.5	Low	97 Å²	97	73 Å²	73	43%	0.425	37%	0.368	S	S	.	.	H	α-helix	trans	-58.9	-36.2	175.4	-178.1	-111.2	0	0	0	112.1	Y115 Y130 K131	Y115-F127 AromaticContact CD1-CD2 3.99Å; Y115-F127 HydrophobicContact CD1-CD2 3.99Å; Y115-F127 HydrophobicContact CD2-CB 4.39Å; Y115-F127 HydrophobicContact CE1-CB 4.29Å; Y115-F127 AromaticContact CE1-CD2 3.69Å; Y115-F127 HydrophobicContact CE1-CD2 3.69Å; Y115-F127 HydrophobicContact CE1-CG 4.43Å; Y115-F127 HydrophobicContact CE2-CB 3.77Å; F127-Y130 AromaticContact CD2-CD1 3.86Å; F127-Y130 HydrophobicContact CD2-CD1 3.86Å; F127-Y130 HydrophobicContact CD2-CE1 4.5Å; F127-Y130 AromaticContact CE2-CD1 3.88Å; F127-Y130 HydrophobicContact CE2-CD1 3.88Å; F127-Y130 HydrophobicContact CE2-CE1 4.16Å; F127-Y130 PolarHBondContact O-N 3.3Å; F127-K131 HydrophobicContact CE1-CD 4.25Å; F127-K131 WeakPolarHBondContact O-CB 3.48Å; F127-K131 PolarHBondContact O-N 3.11Å
128	T	62.2	Low	66.8	Low	75 Å²	75	78.2 Å²	78.2	46%	0.46	39%	0.392	S	S	.	.	H	α-helix	trans	-59.6	-47.2	174.5	50	0	0	0	0	111.7	R126 Y130 K131 S132	R126-T128 PolarHBondContact O-N 3.29Å; T128-Y130 VanDerWaalsContact C-N 3.34Å; T128-Y130 PolarHBondContact O-N 2.88Å; T128-K131 PolarHBondContact O-N 2.9Å; T128-S132 WeakPolarHBondContact O-CB 3.34Å; T128-S132 PolarHBondContact O-N 2.98Å; T128-S132 PolarHBondContact O-OG 3.4Å; T128-S132 VanDerWaalsContact O-OG 3.07Å
129	A	70.2	Confident	66.5	Low	37 Å²	37	78.3 Å²	78.3	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-37.6	176.4	0	0	0	0	0	112.4	F124 R126 H133	F124-A129 HydrophobicContact CB-CB 4.46Å; F124-A129 HydrophobicContact CD1-CB 3.87Å; F124-A129 HydrophobicContact CG-CB 4.5Å; R126-A129 HydrophobicContact CB-CB 4.13Å; R126-A129 PolarHBondContact O-N 3.48Å; R126-A129 VanDerWaalsContact O-N 3.11Å; A129-H133 WeakPolarHBondContact O-CB 3.33Å; A129-H133 PolarHBondContact O-N 2.79Å
130	Y	74.8	Confident	65.8	Low	47 Å²	47	79.6 Å²	79.6	18%	0.184	40%	0.395	C	S	.	.	H	α-helix	trans	-65.9	-41.4	172.6	170.4	-110.3	0	0	0	113	Y115 F124 R126 F127 T128 H133 L134	Y115-Y130 VanDerWaalsContact CB-CG 3.43Å; Y115-Y130 HydrophobicContact CD1-CD1 4.15Å; Y115-Y130 HydrophobicContact CD1-CE1 4.46Å; Y115-Y130 HydrophobicContact CG-CD1 4.18Å; Y115-Y130 HydrophobicContact CG-CG 4.1Å; F124-Y130 HydrophobicContact CD2-CD2 4.24Å; R126-Y130 PolarHBondContact O-N 3.04Å; F127-Y130 AromaticContact CD2-CD1 3.86Å; F127-Y130 HydrophobicContact CD2-CD1 3.86Å; F127-Y130 HydrophobicContact CD2-CE1 4.5Å; F127-Y130 AromaticContact CE2-CD1 3.88Å; F127-Y130 HydrophobicContact CE2-CD1 3.88Å; F127-Y130 HydrophobicContact CE2-CE1 4.16Å; F127-Y130 PolarHBondContact O-N 3.3Å; T128-Y130 VanDerWaalsContact C-N 3.34Å; T128-Y130 PolarHBondContact O-N 2.88Å; Y130-H133 CarbonylContact O-C 3.1Å; Y130-H133 PolarHBondContact O-N 2.79Å; Y130-L134 HydrophobicContact CD1-CD1 4.01Å; Y130-L134 HydrophobicContact CE1-CD1 3.47Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.47Å; Y130-L134 HydrophobicContact CE1-CG 4.36Å; Y130-L134 HydrophobicContact CE2-CD1 4.1Å; Y130-L134 HydrophobicContact CE2-CG 4.17Å; Y130-L134 WeakPolarHBondContact O-CB 3.27Å; Y130-L134 PolarHBondContact O-N 3.4Å
131	K	67.9	Low	64.8	Low	124 Å²	124	84.4 Å²	84.4	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-45.7	176.7	-175.4	178.3	178.7	-178.2	0	111.2	F127 T128 H133 L134 L135	F127-K131 HydrophobicContact CE1-CD 4.25Å; F127-K131 WeakPolarHBondContact O-CB 3.48Å; F127-K131 PolarHBondContact O-N 3.11Å; T128-K131 PolarHBondContact O-N 2.9Å; K131-H133 VanDerWaalsContact C-N 3.28Å; K131-H133 PolarHBondContact O-N 3.14Å; K131-L134 PolarHBondContact O-N 3.2Å; K131-L135 WeakPolarHBondContact O-CG 3.43Å; K131-L135 PolarHBondContact O-N 3.33Å
132	S	70	Confident	65	Low	71 Å²	71	83.4 Å²	83.4	50%	0.497	41%	0.407	S	S	.	.	H	α-helix	trans	-54.8	-46.7	169.5	-63.2	0	0	0	0	110.6	T128 L135 L136	T128-S132 WeakPolarHBondContact O-CB 3.34Å; T128-S132 PolarHBondContact O-N 2.98Å; T128-S132 PolarHBondContact O-OG 3.4Å; T128-S132 VanDerWaalsContact O-OG 3.07Å; S132-L135 WeakPolarHBondContact O-CB 3.35Å; S132-L135 PolarHBondContact O-N 3.03Å; S132-L136 WeakPolarHBondContact O-CG 3.35Å; S132-L136 PolarHBondContact O-N 3.27Å
133	H	73.6	Confident	64.9	Low	11 Å²	11	81.9 Å²	81.9	5%	0.051	40%	0.401	C	S	.	.	H	α-helix	trans	-67.5	-35.6	178.9	-179.2	66.5	0	0	0	113.9	C117 C120 F124 A129 Y130 K131 L135 L136 H137	C117-H133 VanDerWaalsContact CB-CD2 3.41Å; C117-H133 WeakPolarHBondContact CB-CD2 3.16Å; C117-H133 WeakPolarHBondContact CB-NE2 3.48Å; C117-H133 VanDerWaalsContact SG-CD2 3.51Å; C117-H133 PolarHBondContact SG-NE2 3.31Å; C117-H133 VanDerWaalsContact SG-NE2 3.4Å; C120-H133 VanDerWaalsContact SG-CE1 3.59Å; C120-H133 PolarHBondContact SG-NE2 3.48Å; F124-H133 HydrophobicContact CE1-CB 3.96Å; F124-H133 HydrophobicContact CE2-CB 3.89Å; F124-H133 AromaticContact CE2-CD2 3.29Å; F124-H133 WeakPolarHBondContact CE2-CD2 3.37Å; F124-H133 AromaticContact CE2-CG 3.57Å; F124-H133 AromaticContact CE2-NE2 3.96Å; F124-H133 HydrophobicContact CZ-CB 3.5Å; F124-H133 VanDerWaalsContact CZ-CB 3.5Å; F124-H133 AromaticContact CZ-CD2 3.44Å; F124-H133 VanDerWaalsContact CZ-CD2 3.44Å; F124-H133 WeakPolarHBondContact CZ-CD2 3.5Å; F124-H133 AromaticContact CZ-CG 3.22Å; F124-H133 AromaticContact CZ-ND1 3.71Å; F124-H133 AromaticContact CZ-NE2 3.99Å; A129-H133 WeakPolarHBondContact O-CB 3.33Å; A129-H133 PolarHBondContact O-N 2.79Å; Y130-H133 CarbonylContact O-C 3.1Å; Y130-H133 PolarHBondContact O-N 2.79Å; K131-H133 VanDerWaalsContact C-N 3.28Å; K131-H133 PolarHBondContact O-N 3.14Å; H133-L135 VanDerWaalsContact C-N 3.32Å; H133-L135 PolarHBondContact O-N 2.98Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 3.33Å; H133-L136 PolarHBondContact O-N 2.84Å; H133-L136 VanDerWaalsContact O-N 3.16Å; H133-H137 AromaticContact CD2-CD2 4Å; H133-H137 AromaticContact CD2-NE2 3.82Å; H133-H137 AromaticContact CE1-CD2 3.89Å; H133-H137 AromaticContact CE1-NE2 3.26Å; H133-H137 PolarHBondContact CE1-NE2 3.3Å; H133-H137 VanDerWaalsContact CE1-NE2 3.26Å; H133-H137 AromaticContact NE2-CD2 3.58Å; H133-H137 AromaticContact NE2-NE2 2.96Å; H133-H137 PolarHBondContact NE2-NE2 3.48Å; H133-H137 PolarHBondContact O-CD2 3.45Å; H133-H137 VanDerWaalsContact O-CD2 3.27Å; H133-H137 PolarHBondContact O-N 2.82Å
134	L	70	Confident	65.3	Low	42 Å²	42	79.6 Å²	79.6	22%	0.22	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-38	172	-88.2	172.3	0	0	0	112	Y130 K131 L136 H137 Q138	Y130-L134 HydrophobicContact CD1-CD1 4.01Å; Y130-L134 HydrophobicContact CE1-CD1 3.47Å; Y130-L134 VanDerWaalsContact CE1-CD1 3.47Å; Y130-L134 HydrophobicContact CE1-CG 4.36Å; Y130-L134 HydrophobicContact CE2-CD1 4.1Å; Y130-L134 HydrophobicContact CE2-CG 4.17Å; Y130-L134 WeakPolarHBondContact O-CB 3.27Å; Y130-L134 PolarHBondContact O-N 3.4Å; K131-L134 PolarHBondContact O-N 3.2Å; L134-L136 VanDerWaalsContact C-N 3.25Å; L134-L136 PolarHBondContact O-N 2.99Å; L134-H137 PolarHBondContact O-N 3.31Å; L134-H137 VanDerWaalsContact O-N 3.1Å; L134-Q138 PolarHBondContact O-N 2.87Å
135	L	68.6	Low	65.6	Low	85 Å²	85	77.6 Å²	77.6	45%	0.445	39%	0.392	S	S	.	.	H	α-helix	trans	-61.2	-36.5	173.7	-69.4	163.8	0	0	0	111.1	K131 S132 H133 H137 Q138 I139	K131-L135 WeakPolarHBondContact O-CG 3.43Å; K131-L135 PolarHBondContact O-N 3.33Å; S132-L135 WeakPolarHBondContact O-CB 3.35Å; S132-L135 PolarHBondContact O-N 3.03Å; H133-L135 VanDerWaalsContact C-N 3.32Å; H133-L135 PolarHBondContact O-N 2.98Å; L135-H137 PolarHBondContact O-N 2.97Å; L135-Q138 PolarHBondContact O-N 2.95Å; L135-I139 WeakPolarHBondContact O-CD1 3.28Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.5Å; L135-I139 PolarHBondContact O-N 2.9Å
136	L	64.4	Low	66.1	Low	43 Å²	43	75.8 Å²	75.8	23%	0.225	39%	0.39	C	S	.	.	H	α-helix	trans	-61.5	-24.5	175.1	-48.8	-177.9	0	0	0	113.6	S132 H133 L134 E153 S154	S132-L136 WeakPolarHBondContact O-CG 3.35Å; S132-L136 PolarHBondContact O-N 3.27Å; H133-L136 VanDerWaalsContact O-CB 3.28Å; H133-L136 WeakPolarHBondContact O-CB 3.33Å; H133-L136 PolarHBondContact O-N 2.84Å; H133-L136 VanDerWaalsContact O-N 3.16Å; L134-L136 VanDerWaalsContact C-N 3.25Å; L134-L136 PolarHBondContact O-N 2.99Å; L136-E153 VanDerWaalsContact CB-O 3.29Å; L136-E153 WeakPolarHBondContact CB-O 3.22Å; L136-E153 VanDerWaalsContact CD1-O 3.3Å; L136-E153 WeakPolarHBondContact CD1-O 3.47Å; L136-E153 VanDerWaalsContact CD2-O 3.27Å; L136-E153 WeakPolarHBondContact CD2-O 3.41Å; L136-E153 WeakPolarHBondContact CG-O 3.48Å; L136-S154 VanDerWaalsContact CD1-CB 3.46Å
137	H	67.9	Low	66.9	Low	68 Å²	68	71.2 Å²	71.2	32%	0.315	38%	0.377	S	S	.	.	H	α-helix	trans	-90	-13.7	173.1	-69.9	-82	0	0	0	113.9	C117 L119 H133 L134 L135	C117-H137 VanDerWaalsContact SG-CD2 3.5Å; C117-H137 PolarHBondContact SG-NE2 3.12Å; L119-H137 WeakPolarHBondContact CB-ND1 3.49Å; L119-H137 HydrophobicContact CD1-CB 3.46Å; L119-H137 VanDerWaalsContact CD1-CB 3.46Å; H133-H137 AromaticContact CD2-CD2 4Å; H133-H137 AromaticContact CD2-NE2 3.82Å; H133-H137 AromaticContact CE1-CD2 3.89Å; H133-H137 AromaticContact CE1-NE2 3.26Å; H133-H137 PolarHBondContact CE1-NE2 3.3Å; H133-H137 VanDerWaalsContact CE1-NE2 3.26Å; H133-H137 AromaticContact NE2-CD2 3.58Å; H133-H137 AromaticContact NE2-NE2 2.96Å; H133-H137 PolarHBondContact NE2-NE2 3.48Å; H133-H137 PolarHBondContact O-CD2 3.45Å; H133-H137 VanDerWaalsContact O-CD2 3.27Å; H133-H137 PolarHBondContact O-N 2.82Å; L134-H137 PolarHBondContact O-N 3.31Å; L134-H137 VanDerWaalsContact O-N 3.1Å; L135-H137 PolarHBondContact O-N 2.97Å
138	Q	57.1	Low	67.6	Low	109 Å²	109	66.6 Å²	66.6	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-89.5	-23.9	173.7	-66.1	-179.5	14	0	0	111.7	L134 L135 D140 I1354	L134-Q138 PolarHBondContact O-N 2.87Å; L135-Q138 PolarHBondContact O-N 2.95Å; Q138-D140 PolarHBondContact O-N 3.13Å; Q138-I1354 HydrophobicContact CB-CD1 4.43Å
139	I	50	Low	68.3	Low	66 Å²	66	68.2 Å²	68.2	34%	0.338	36%	0.358	S	S	.	.			trans	-78.6	97.5	172.4	-61.6	159.9	0	0	0	108.5	L135 E141 F143	L135-I139 WeakPolarHBondContact O-CD1 3.28Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.5Å; L135-I139 PolarHBondContact O-N 2.9Å; I139-E141 WeakPolarHBondContact CG2-O 3.24Å; I139-E141 PolarHBondContact O-N 3.46Å; I139-E141 VanDerWaalsContact O-N 3.12Å; I139-F143 HydrophobicContact CD1-CE2 3.88Å; I139-F143 HydrophobicContact CD1-CZ 3.83Å
140	D	48.6	Very low	68.7	Low	121 Å²	121	69.7 Å²	69.7	65%	0.647	36%	0.359	S	S	*	.	S	Bend	trans	-65	-5.1	173.6	-86.8	-76.1	0	0	0	113.8	Q138 K1679	Q138-D140 PolarHBondContact O-N 3.13Å; D140-K1679 WeakPolarHBondContact OD1-CE 3.3Å; D140-K1679 IonicContact OD1-NZ 2.65Å; D140-K1679 PolarHBondContact OD1-NZ 3.11Å; D140-K1679 IonicContact OD2-NZ 3.8Å; D140-K1679 PolarHBondContact OD2-NZ 3.08Å
141	E	54.8	Low	68.8	Low	153 Å²	153	70.8 Å²	70.8	72%	0.715	37%	0.373	S	S	*	.	S	Bend	trans	-123.2	94.4	-174.8	-65.2	-176.9	-173.8	0	0	110.6	I139 F143	I139-E141 WeakPolarHBondContact CG2-O 3.24Å; I139-E141 PolarHBondContact O-N 3.46Å; I139-E141 VanDerWaalsContact O-N 3.12Å; E141-F143 PolarHBondContact O-N 3.31Å
142	N	69.1	Low	69.2	Low	87 Å²	87	65.9 Å²	65.9	47%	0.465	35%	0.352	S	S	.	.			trans	-49.1	135.9	173.8	-66.8	-77.1	0	0	0	110.7	V144	N142-V144 VanDerWaalsContact O-CG2 3.28Å; N142-V144 WeakPolarHBondContact O-CG2 3.27Å; N142-V144 PolarHBondContact O-N 3.41Å
143	F	69.5	Low	69.2	Low	56 Å²	56	67.6 Å²	67.6	25%	0.246	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	108.9	180	-65	-89.4	0	0	0	110.4	I139 E141 S151 F152 V155 Y158	I139-F143 HydrophobicContact CD1-CE2 3.88Å; I139-F143 HydrophobicContact CD1-CZ 3.83Å; E141-F143 PolarHBondContact O-N 3.31Å; F143-S151 CarbonylContact O-C 3.4Å; F143-S151 WeakPolarHBondContact O-CA 3.44Å; F143-F152 HydrophobicContact CB-CB 4.47Å; F143-F152 PolarHBondContact N-O 3.49Å; F143-F152 VanDerWaalsContact N-O 3.08Å; F143-F152 WeakPolarHBondContact O-CD2 3.43Å; F143-F152 PolarHBondContact O-N 3.33Å; F143-V155 HydrophobicContact CD2-CG2 4.41Å; F143-V155 HydrophobicContact CE1-CG2 3.82Å; F143-V155 HydrophobicContact CE2-CG2 3.64Å; F143-V155 HydrophobicContact CZ-CG2 3.3Å; F143-Y158 HydrophobicContact CB-CD1 4.33Å; F143-Y158 HydrophobicContact CB-CD2 3.49Å; F143-Y158 VanDerWaalsContact CB-CD2 3.49Å; F143-Y158 HydrophobicContact CB-CE2 4.07Å; F143-Y158 HydrophobicContact CB-CG 3.61Å; F143-Y158 HydrophobicContact CD1-CD1 4.46Å; F143-Y158 HydrophobicContact CG-CG 4.29Å
144	V	77	Confident	68.8	Low	80 Å²	80	67.7 Å²	67.7	49%	0.485	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.7	-176.8	-175.4	0	0	0	0	110.3	N142 S146 Q149 Q150	N142-V144 VanDerWaalsContact O-CG2 3.28Å; N142-V144 WeakPolarHBondContact O-CG2 3.27Å; N142-V144 PolarHBondContact O-N 3.41Å; V144-S146 PolarHBondContact O-N 2.94Å; V144-Q149 HydrophobicContact CG1-CB 4.27Å; V144-Q150 WeakPolarHBondContact CA-O 3.15Å
145	C	79.2	Confident	68.9	Low	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.361	C	S	.	.			trans	-63	120.2	171.6	173.8	0	0	0	0	110.4	V147 Q149 Q150 F152 H161 C165	C145-V147 VanDerWaalsContact C-N 3.29Å; C145-V147 PolarHBondContact O-N 3.35Å; C145-Q149 WeakPolarHBondContact O-CA 3.44Å; C145-Q149 PolarHBondContact O-N 3.36Å; C145-Q150 PolarHBondContact N-O 3.46Å; C145-F152 HydrophobicContact CB-CE2 4.24Å; C145-H161 VanDerWaalsContact CB-CD2 3.48Å; C145-H161 WeakPolarHBondContact CB-CD2 3.39Å; C145-H161 VanDerWaalsContact SG-CD2 3.6Å; C145-H161 PolarHBondContact SG-NE2 3.29Å; C145-C165 VanDerWaalsContact SG-SG 3.61Å
146	S	72.3	Confident	69.1	Low	90 Å²	90	68.5 Å²	68.5	63%	0.629	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-44.7	179	51.2	0	0	0	0	112.8	V144	V144-S146 PolarHBondContact O-N 2.94Å
147	V	75	Confident	69.7	Low	34 Å²	34	70.4 Å²	70.4	21%	0.206	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-49.1	-172.9	-163.1	0	0	0	0	112.7	C145 T166 Q195	C145-V147 VanDerWaalsContact C-N 3.29Å; C145-V147 PolarHBondContact O-N 3.35Å; V147-T166 HydrophobicContact CG2-CG2 3.89Å; V147-Q195 PolarHBondContact O-NE2 3.15Å
148	C	77.4	Confident	70.2	Confident	0 Å²	0	70 Å²	70	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	0.7	-174.4	91.9	0	0	0	0	115.7	Q150 H161 G191 K194 R198	C148-Q150 VanDerWaalsContact C-N 3.26Å; C148-Q150 PolarHBondContact O-N 3.47Å; C148-H161 PolarHBondContact SG-CE1 2.97Å; C148-H161 PolarHBondContact SG-NE2 3.3Å; C148-G191 VanDerWaalsContact CB-O 3.29Å; C148-G191 WeakPolarHBondContact CB-O 3.36Å; C148-K194 HydrophobicContact CB-CB 3.81Å; C148-R198 WeakPolarHBondContact O-CD 3.38Å; C148-R198 PolarHBondContact O-NE 2.93Å; C148-R198 PolarHBondContact O-NH1 3.41Å; C148-R198 VanDerWaalsContact O-NH1 3.09Å
149	Q	77.1	Confident	71	Confident	108 Å²	108	69.8 Å²	69.8	51%	0.505	37%	0.37	S	S	.	.			trans	56.7	34	-178.7	-59.1	-179.7	-21.9	0	0	113.6	V144 C145 R198	V144-Q149 HydrophobicContact CG1-CB 4.27Å; C145-Q149 WeakPolarHBondContact O-CA 3.44Å; C145-Q149 PolarHBondContact O-N 3.36Å; Q149-R198 PolarHBondContact O-NH1 3.21Å
150	Q	79.1	Confident	72.3	Confident	69 Å²	69	74.5 Å²	74.5	32%	0.322	39%	0.387	S	S	.	.			trans	-84.2	126.5	170.8	-162.9	157.9	-22.7	0	0	110	V144 C145 C148 F152	V144-Q150 WeakPolarHBondContact CA-O 3.15Å; C145-Q150 PolarHBondContact N-O 3.46Å; C148-Q150 VanDerWaalsContact C-N 3.26Å; C148-Q150 PolarHBondContact O-N 3.47Å; Q150-F152 HydrophobicContact CB-CE2 3.57Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 HydrophobicContact CG-CE1 4.01Å; Q150-F152 HydrophobicContact CG-CE2 3.77Å; Q150-F152 HydrophobicContact CG-CZ 3.35Å; Q150-F152 WeakPolarHBondContact O-CD2 3.45Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.21Å
151	S	76.8	Confident	73.9	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	130	173.8	50.5	0	0	0	0	110.4	F143	F143-S151 CarbonylContact O-C 3.4Å; F143-S151 WeakPolarHBondContact O-CA 3.44Å
152	F	75.9	Confident	75	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.096	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.6	177.1	-64.9	-79.9	0	0	0	112	F143 C145 Q150 S154 L157 Y158 H161	F143-F152 HydrophobicContact CB-CB 4.47Å; F143-F152 PolarHBondContact N-O 3.49Å; F143-F152 VanDerWaalsContact N-O 3.08Å; F143-F152 WeakPolarHBondContact O-CD2 3.43Å; F143-F152 PolarHBondContact O-N 3.33Å; C145-F152 HydrophobicContact CB-CE2 4.24Å; Q150-F152 HydrophobicContact CB-CE2 3.57Å; Q150-F152 HydrophobicContact CB-CZ 3.6Å; Q150-F152 HydrophobicContact CG-CE1 4.01Å; Q150-F152 HydrophobicContact CG-CE2 3.77Å; Q150-F152 HydrophobicContact CG-CZ 3.35Å; Q150-F152 WeakPolarHBondContact O-CD2 3.45Å; Q150-F152 VanDerWaalsContact O-CE2 3.22Å; Q150-F152 WeakPolarHBondContact O-CE2 3.21Å; F152-S154 PolarHBondContact O-N 3.41Å; F152-L157 HydrophobicContact CB-CB 4.31Å; F152-L157 HydrophobicContact CD1-CB 3.88Å; F152-L157 HydrophobicContact CG-CB 4.39Å; F152-Y158 HydrophobicContact CD2-CD2 4.11Å; F152-H161 HydrophobicContact CD2-CB 4.41Å; F152-H161 HydrophobicContact CE1-CB 3.79Å; F152-H161 AromaticContact CE1-CG 3.99Å; F152-H161 HydrophobicContact CE2-CB 3.66Å; F152-H161 AromaticContact CE2-CD2 3.32Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.45Å; F152-H161 AromaticContact CE2-CG 3.39Å; F152-H161 AromaticContact CE2-NE2 3.87Å; F152-H161 HydrophobicContact CZ-CB 3.33Å; F152-H161 AromaticContact CZ-CD2 3.5Å; F152-H161 VanDerWaalsContact CZ-CD2 3.5Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.28Å; F152-H161 AromaticContact CZ-CE1 3.8Å; F152-H161 AromaticContact CZ-CG 3.08Å; F152-H161 AromaticContact CZ-ND1 3.34Å; F152-H161 VanDerWaalsContact CZ-ND1 3.34Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.36Å; F152-H161 AromaticContact CZ-NE2 3.9Å
153	E	68.8	Low	75.3	Confident	107 Å²	107	66.6 Å²	66.6	50%	0.5	35%	0.345	S	S	.	.	S	Bend	trans	-63	-26	173	-68	-179.5	-159.6	0	0	112.1	K122 L136	K122-E153 IonicContact NZ-OE1 2.88Å; K122-E153 IonicContact NZ-OE2 3.05Å; K122-E153 PolarHBondContact NZ-OE2 3.24Å; L136-E153 VanDerWaalsContact CB-O 3.29Å; L136-E153 WeakPolarHBondContact CB-O 3.22Å; L136-E153 VanDerWaalsContact CD1-O 3.3Å; L136-E153 WeakPolarHBondContact CD1-O 3.47Å; L136-E153 VanDerWaalsContact CD2-O 3.27Å; L136-E153 WeakPolarHBondContact CD2-O 3.41Å; L136-E153 WeakPolarHBondContact CG-O 3.48Å
154	S	65.4	Low	75.6	Confident	13 Å²	13	66 Å²	66	9%	0.091	35%	0.351	C	S	.	.	S	Bend	trans	-138	152.9	-174.6	73	0	0	0	0	114.5	L136 F152 T156 L157 Y158	L136-S154 VanDerWaalsContact CD1-CB 3.46Å; F152-S154 PolarHBondContact O-N 3.41Å; S154-T156 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.3Å; S154-T156 PolarHBondContact OG-OG1 3.47Å; S154-L157 PolarHBondContact O-N 2.83Å; S154-L157 WeakPolarHBondContact OG-CB 3.34Å; S154-L157 VanDerWaalsContact OG-CG 3.28Å; S154-L157 WeakPolarHBondContact OG-CG 3.18Å; S154-L157 PolarHBondContact OG-N 3.3Å; S154-L157 VanDerWaalsContact OG-N 3.11Å; S154-Y158 WeakPolarHBondContact O-CB 3.38Å; S154-Y158 PolarHBondContact O-N 3.08Å
155	V	73	Confident	75.6	Confident	58 Å²	58	62.2 Å²	62.2	35%	0.352	33%	0.328	S	S	.	.	H	α-helix	trans	-52.6	-48.6	169.5	178.6	0	0	0	0	110.9	F143 L157 Y158 E159	F143-V155 HydrophobicContact CD2-CG2 4.41Å; F143-V155 HydrophobicContact CE1-CG2 3.82Å; F143-V155 HydrophobicContact CE2-CG2 3.64Å; F143-V155 HydrophobicContact CZ-CG2 3.3Å; V155-L157 VanDerWaalsContact C-N 3.32Å; V155-L157 PolarHBondContact O-N 3.44Å; V155-Y158 CarbonylContact O-C 3.53Å; V155-Y158 WeakPolarHBondContact O-CA 3.34Å; V155-Y158 WeakPolarHBondContact O-CB 3.46Å; V155-Y158 PolarHBondContact O-N 3.37Å; V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.4Å; V155-E159 WeakPolarHBondContact O-CG 3.12Å; V155-E159 PolarHBondContact O-N 2.92Å
156	T	72.7	Confident	75.1	Confident	85 Å²	85	65.1 Å²	65.1	52%	0.521	35%	0.345	S	S	.	.	H	α-helix	trans	-67.9	-27.6	-176.9	57.5	0	0	0	0	114	S154 E159 K160	S154-T156 VanDerWaalsContact C-N 3.32Å; S154-T156 PolarHBondContact O-N 3.3Å; S154-T156 PolarHBondContact OG-OG1 3.47Å; T156-E159 WeakPolarHBondContact CA-OE2 3.3Å; T156-K160 WeakPolarHBondContact O-CB 3.34Å; T156-K160 VanDerWaalsContact O-CG 3.26Å; T156-K160 WeakPolarHBondContact O-CG 3.35Å; T156-K160 PolarHBondContact O-N 3.05Å
157	L	76.3	Confident	74.6	Confident	83 Å²	83	66 Å²	66	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-79.7	-34.2	169.8	-70	173.1	0	0	0	111.9	F152 S154 V155 H161	F152-L157 HydrophobicContact CB-CB 4.31Å; F152-L157 HydrophobicContact CD1-CB 3.88Å; F152-L157 HydrophobicContact CG-CB 4.39Å; S154-L157 PolarHBondContact O-N 2.83Å; S154-L157 WeakPolarHBondContact OG-CB 3.34Å; S154-L157 VanDerWaalsContact OG-CG 3.28Å; S154-L157 WeakPolarHBondContact OG-CG 3.18Å; S154-L157 PolarHBondContact OG-N 3.3Å; S154-L157 VanDerWaalsContact OG-N 3.11Å; V155-L157 VanDerWaalsContact C-N 3.32Å; V155-L157 PolarHBondContact O-N 3.44Å; L157-H161 WeakPolarHBondContact O-CB 3.22Å; L157-H161 PolarHBondContact O-N 3.32Å
158	Y	78.6	Confident	73.3	Confident	60 Å²	60	68.4 Å²	68.4	24%	0.235	35%	0.353	C	S	.	.	H	α-helix	trans	-62.8	-51	173.2	172.9	-104.7	0	0	0	111.1	F143 F152 S154 V155 H161 L162	F143-Y158 HydrophobicContact CB-CD1 4.33Å; F143-Y158 HydrophobicContact CB-CD2 3.49Å; F143-Y158 VanDerWaalsContact CB-CD2 3.49Å; F143-Y158 HydrophobicContact CB-CE2 4.07Å; F143-Y158 HydrophobicContact CB-CG 3.61Å; F143-Y158 HydrophobicContact CD1-CD1 4.46Å; F143-Y158 HydrophobicContact CG-CG 4.29Å; F152-Y158 HydrophobicContact CD2-CD2 4.11Å; S154-Y158 WeakPolarHBondContact O-CB 3.38Å; S154-Y158 PolarHBondContact O-N 3.08Å; V155-Y158 CarbonylContact O-C 3.53Å; V155-Y158 WeakPolarHBondContact O-CA 3.34Å; V155-Y158 WeakPolarHBondContact O-CB 3.46Å; V155-Y158 PolarHBondContact O-N 3.37Å; Y158-H161 CarbonylContact O-C 3.58Å; Y158-H161 PolarHBondContact O-N 3.32Å; Y158-L162 HydrophobicContact CD1-CD1 4.32Å; Y158-L162 HydrophobicContact CE1-CD1 3.63Å; Y158-L162 HydrophobicContact CE2-CD1 4.2Å; Y158-L162 VanDerWaalsContact O-CB 3.27Å; Y158-L162 WeakPolarHBondContact O-CB 3.36Å; Y158-L162 PolarHBondContact O-N 2.81Å
159	E	75.2	Confident	71.5	Confident	105 Å²	105	73.6 Å²	73.6	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-52	178.2	-69.3	163.5	155.8	0	0	112.1	V155 T156 H161 L162 H163	V155-E159 HydrophobicContact CG1-CG 4.13Å; V155-E159 WeakPolarHBondContact CG1-OE1 3.4Å; V155-E159 WeakPolarHBondContact O-CG 3.12Å; V155-E159 PolarHBondContact O-N 2.92Å; T156-E159 WeakPolarHBondContact CA-OE2 3.3Å; E159-H161 VanDerWaalsContact C-N 3.25Å; E159-H161 PolarHBondContact O-N 3Å; E159-L162 PolarHBondContact O-N 3.09Å; E159-H163 PolarHBondContact O-N 3.17Å
160	K	77.3	Confident	69.3	Low	164 Å²	164	74.8 Å²	74.8	71%	0.713	39%	0.394	S	S	*	.	H	α-helix	trans	-58.6	-38.7	176	-75.6	-175.9	177.2	-166.4	0	111.9	T156 A164	T156-K160 WeakPolarHBondContact O-CB 3.34Å; T156-K160 VanDerWaalsContact O-CG 3.26Å; T156-K160 WeakPolarHBondContact O-CG 3.35Å; T156-K160 PolarHBondContact O-N 3.05Å; K160-A164 VanDerWaalsContact O-CB 3.29Å; K160-A164 WeakPolarHBondContact O-CB 3.29Å; K160-A164 PolarHBondContact O-N 3.36Å; K160-A164 VanDerWaalsContact O-N 3.17Å
161	H	81.8	Confident	67.3	Low	19 Å²	19	77.5 Å²	77.5	9%	0.088	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-44.3	172.6	174.4	84.3	0	0	0	112.3	C145 C148 F152 L157 Y158 E159 H163 A164 C165	C145-H161 VanDerWaalsContact CB-CD2 3.48Å; C145-H161 WeakPolarHBondContact CB-CD2 3.39Å; C145-H161 VanDerWaalsContact SG-CD2 3.6Å; C145-H161 PolarHBondContact SG-NE2 3.29Å; C148-H161 PolarHBondContact SG-CE1 2.97Å; C148-H161 PolarHBondContact SG-NE2 3.3Å; F152-H161 HydrophobicContact CD2-CB 4.41Å; F152-H161 HydrophobicContact CE1-CB 3.79Å; F152-H161 AromaticContact CE1-CG 3.99Å; F152-H161 HydrophobicContact CE2-CB 3.66Å; F152-H161 AromaticContact CE2-CD2 3.32Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.45Å; F152-H161 AromaticContact CE2-CG 3.39Å; F152-H161 AromaticContact CE2-NE2 3.87Å; F152-H161 HydrophobicContact CZ-CB 3.33Å; F152-H161 AromaticContact CZ-CD2 3.5Å; F152-H161 VanDerWaalsContact CZ-CD2 3.5Å; F152-H161 WeakPolarHBondContact CZ-CD2 3.28Å; F152-H161 AromaticContact CZ-CE1 3.8Å; F152-H161 AromaticContact CZ-CG 3.08Å; F152-H161 AromaticContact CZ-ND1 3.34Å; F152-H161 VanDerWaalsContact CZ-ND1 3.34Å; F152-H161 WeakPolarHBondContact CZ-ND1 3.36Å; F152-H161 AromaticContact CZ-NE2 3.9Å; L157-H161 WeakPolarHBondContact O-CB 3.22Å; L157-H161 PolarHBondContact O-N 3.32Å; Y158-H161 CarbonylContact O-C 3.58Å; Y158-H161 PolarHBondContact O-N 3.32Å; E159-H161 VanDerWaalsContact C-N 3.25Å; E159-H161 PolarHBondContact O-N 3Å; H161-H163 PolarHBondContact O-N 3.37Å; H161-A164 CarbonylContact O-C 3.38Å; H161-A164 VanDerWaalsContact O-C 3.27Å; H161-A164 WeakPolarHBondContact O-CA 3.41Å; H161-A164 PolarHBondContact O-N 2.84Å; H161-C165 PolarHBondContact NE2-SG 2.74Å; H161-C165 WeakPolarHBondContact O-CB 3.36Å; H161-C165 PolarHBondContact O-N 3.08Å
162	L	77.1	Confident	65.5	Low	51 Å²	51	82.2 Å²	82.2	27%	0.267	43%	0.429	S	S	.	.	H	α-helix	trans	-58.7	-52	-175.7	-151.4	159.1	0	0	0	108.4	Y158 E159 A164 C165 T166	Y158-L162 HydrophobicContact CD1-CD1 4.32Å; Y158-L162 HydrophobicContact CE1-CD1 3.63Å; Y158-L162 HydrophobicContact CE2-CD1 4.2Å; Y158-L162 VanDerWaalsContact O-CB 3.27Å; Y158-L162 WeakPolarHBondContact O-CB 3.36Å; Y158-L162 PolarHBondContact O-N 2.81Å; E159-L162 PolarHBondContact O-N 3.09Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.22Å; L162-C165 CarbonylContact O-C 3.27Å; L162-C165 PolarHBondContact O-N 2.89Å; L162-T166 HydrophobicContact CD2-CG2 3.67Å; L162-T166 PolarHBondContact O-N 3.37Å; L162-T166 PolarHBondContact O-OG1 2.93Å
163	H	76.5	Confident	63.5	Low	125 Å²	125	89.7 Å²	89.7	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-56.2	-42.6	172.8	-167.7	80.7	0	0	0	112.6	E159 H161 C165 K167	E159-H163 PolarHBondContact O-N 3.17Å; H161-H163 PolarHBondContact O-N 3.37Å; H163-C165 VanDerWaalsContact C-N 3.26Å; H163-C165 PolarHBondContact O-N 2.95Å; H163-K167 WeakPolarHBondContact O-CB 3.2Å; H163-K167 WeakPolarHBondContact O-CG 3.41Å; H163-K167 PolarHBondContact O-N 3.15Å
164	A	75.8	Confident	61.8	Low	45 Å²	45	90.1 Å²	90.1	37%	0.372	47%	0.473	S	S	.	.	H	α-helix	trans	-78.4	4	175.3	0	0	0	0	0	115.7	K160 H161 L162	K160-A164 VanDerWaalsContact O-CB 3.29Å; K160-A164 WeakPolarHBondContact O-CB 3.29Å; K160-A164 PolarHBondContact O-N 3.36Å; K160-A164 VanDerWaalsContact O-N 3.17Å; H161-A164 CarbonylContact O-C 3.38Å; H161-A164 VanDerWaalsContact O-C 3.27Å; H161-A164 WeakPolarHBondContact O-CA 3.41Å; H161-A164 PolarHBondContact O-N 2.84Å; L162-A164 VanDerWaalsContact C-N 3.33Å; L162-A164 PolarHBondContact O-N 3.22Å
165	C	75.4	Confident	60.6	Low	0 Å²	0	94.2 Å²	94.2	0%	0	50%	0.5	C	S	.	.	H	α-helix	trans	-122.4	-31.5	-175	-168.8	0	0	0	0	111.1	C145 H161 L162 H163 G191	C145-C165 VanDerWaalsContact SG-SG 3.61Å; H161-C165 PolarHBondContact NE2-SG 2.74Å; H161-C165 WeakPolarHBondContact O-CB 3.36Å; H161-C165 PolarHBondContact O-N 3.08Å; L162-C165 CarbonylContact O-C 3.27Å; L162-C165 PolarHBondContact O-N 2.89Å; H163-C165 VanDerWaalsContact C-N 3.26Å; H163-C165 PolarHBondContact O-N 2.95Å; C165-G191 PolarHBondContact O-N 3.17Å; C165-G191 WeakPolarHBondContact SG-CA 3.07Å
166	T	69.9	Low	59.6	Low	60 Å²	60	94.6 Å²	94.6	37%	0.368	51%	0.505	S	S	.	.	H	α-helix	trans	-92.9	-2.1	166.8	61.4	0	0	0	0	113.6	V147 L162 T168	V147-T166 HydrophobicContact CG2-CG2 3.89Å; L162-T166 HydrophobicContact CD2-CG2 3.67Å; L162-T166 PolarHBondContact O-N 3.37Å; L162-T166 PolarHBondContact O-OG1 2.93Å; T166-T168 PolarHBondContact O-N 2.85Å
167	K	61.6	Low	59.2	Low	110 Å²	110	95.7 Å²	95.7	48%	0.478	50%	0.504	S	S	.	.			trans	-60.2	82.5	174.3	-120.5	-167.7	177.8	-166.8	0	112	H163	H163-K167 WeakPolarHBondContact O-CB 3.2Å; H163-K167 WeakPolarHBondContact O-CG 3.41Å; H163-K167 PolarHBondContact O-N 3.15Å
168	T	48	Very low	58.8	Low	83 Å²	83	93.8 Å²	93.8	51%	0.509	49%	0.491	S	S	.	.			trans	-72.8	135.1	142.5	44	0	0	0	0	107	T166 V170	T166-T168 PolarHBondContact O-N 2.85Å; T168-V170 PolarHBondContact O-N 3.31Å; T168-V170 VanDerWaalsContact O-N 3.09Å
169	I	39.1	Very low	58.6	Low	109 Å²	109	96.3 Å²	96.3	56%	0.559	50%	0.501	S	S	*	.			trans	-80	96.7	-179.5	-60.1	174.4	0	0	0	107.4	I171	I169-I171 HydrophobicContact CG2-CB 4.39Å; I169-I171 HydrophobicContact CG2-CG1 4.49Å; I169-I171 PolarHBondContact O-N 2.83Å
170	V	32.1	Very low	58.8	Low	134 Å²	134	91.4 Å²	91.4	81%	0.812	48%	0.478	S	S	*	.			trans	-80.7	67.4	174.8	-172.2	0	0	0	0	108.9	T168	T168-V170 PolarHBondContact O-N 3.31Å; T168-V170 VanDerWaalsContact O-N 3.09Å
171	I	36.1	Very low	58.5	Low	126 Å²	126	94.5 Å²	94.5	65%	0.646	49%	0.485	S	S	*	.	S	Bend	trans	-147.2	93.5	165.3	-48.8	178	0	0	0	107.7	I169 K173	I169-I171 HydrophobicContact CG2-CB 4.39Å; I169-I171 HydrophobicContact CG2-CG1 4.49Å; I169-I171 PolarHBondContact O-N 2.83Å; I171-K173 VanDerWaalsContact C-N 3.28Å; I171-K173 PolarHBondContact O-N 3.34Å
172	N	38.1	Very low	58	Low	167 Å²	167	97 Å²	97	89%	0.893	50%	0.498	S	S	*	.	S	Bend	trans	41.3	31.3	157.6	-58.1	5.8	0	0	0	119.2
173	K	34.1	Very low	57.9	Low	180 Å²	180	97.3 Å²	97.3	78%	0.783	50%	0.504	S	S	*	.	S	Bend	trans	-137.6	148.1	171.8	-82.1	-173.6	175.1	175.2	0	112.2	I171	I171-K173 VanDerWaalsContact C-N 3.28Å; I171-K173 PolarHBondContact O-N 3.34Å
174	P	33.8	Very low	57.7	Low	115 Å²	115	93.2 Å²	93.2	75%	0.747	50%	0.495	S	S	*	.			trans	-61.4	153.4	-177.2	24.7	-34.5	0	0	0	112.3	S176	P174-S176 PolarHBondContact O-N 3.19Å
175	P	39.9	Very low	57.7	Low	99 Å²	99	94.6 Å²	94.6	64%	0.643	50%	0.495	S	S	*	.			trans	-65.7	110.3	-166.5	25.3	-35	0	0	0	112.4	Q177	P175-Q177 WeakPolarHBondContact O-CG 3.47Å; P175-Q177 PolarHBondContact O-N 3.21Å
176	S	51.9	Low	57.7	Low	66 Å²	66	98.7 Å²	98.7	46%	0.462	52%	0.516	S	S	.	.			trans	-62.1	98.8	177	52	0	0	0	0	111.5	P174 Y178	P174-S176 PolarHBondContact O-N 3.19Å; S176-Y178 WeakPolarHBondContact O-CD2 3.41Å; S176-Y178 WeakPolarHBondContact O-CE2 3.27Å; S176-Y178 PolarHBondContact O-N 2.97Å
177	Q	64.9	Low	58	Low	109 Å²	109	97.1 Å²	97.1	51%	0.509	51%	0.505	S	S	.	.			trans	-77.2	124.8	-178.2	-51	-169.2	15.5	0	0	110.6	P175 R179 L186	P175-Q177 WeakPolarHBondContact O-CG 3.47Å; P175-Q177 PolarHBondContact O-N 3.21Å; Q177-R179 PolarHBondContact O-N 3.47Å; Q177-L186 HydrophobicContact CB-CB 3.93Å; Q177-L186 HydrophobicContact CB-CD2 4.18Å; Q177-L186 VanDerWaalsContact OE1-CB 3.29Å
178	Y	67.3	Low	58.5	Low	42 Å²	42	94.5 Å²	94.5	17%	0.165	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.7	-174.9	-65.9	-95.7	0	0	0	110.8	S176 L187 I190 I193 L220	S176-Y178 WeakPolarHBondContact O-CD2 3.41Å; S176-Y178 WeakPolarHBondContact O-CE2 3.27Å; S176-Y178 PolarHBondContact O-N 2.97Å; Y178-L187 WeakPolarHBondContact CD2-O 3.44Å; Y178-L187 PolarHBondContact N-O 3.39Å; Y178-L187 PolarHBondContact O-N 2.92Å; Y178-L187 VanDerWaalsContact O-N 3.1Å; Y178-I190 HydrophobicContact CD1-CG1 4.25Å; Y178-I190 HydrophobicContact CE1-CD1 4.18Å; Y178-I190 HydrophobicContact CE1-CG1 3.52Å; Y178-I190 HydrophobicContact CE2-CG1 4.06Å; Y178-I190 VanDerWaalsContact CZ-CG1 3.43Å; Y178-I190 WeakPolarHBondContact OH-CG1 3.39Å; Y178-I193 HydrophobicContact CG-CG2 4.34Å; Y178-L220 HydrophobicContact CE1-CD2 4.22Å
179	R	74.2	Confident	59.6	Low	114 Å²	114	91.1 Å²	91.1	43%	0.43	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.3	178.8	-158.7	-167.8	-94.8	-139.9	12.6	112.2	Q177 R181 G184 L186 D225	Q177-R179 PolarHBondContact O-N 3.47Å; R179-R181 PolarHBondContact O-N 3.49Å; R179-G184 WeakPolarHBondContact CG-O 3.3Å; R179-L186 HydrophobicContact CB-CD2 3.71Å; R179-L186 HydrophobicContact CG-CD2 3.9Å; R179-D225 IonicContact CZ-OD1 2.64Å; R179-D225 IonicContact NH2-OD1 2.7Å; R179-D225 PolarHBondContact NH2-OD1 3.11Å; R179-D225 IonicContact NH2-OD2 3.39Å; R179-D225 PolarHBondContact NH2-OD2 2.83Å
180	C	79.7	Confident	61.4	Low	2 Å²	2	87.6 Å²	87.6	1%	0.014	46%	0.463	C	S	.	.			trans	-76.6	119.2	174	-176.6	0	0	0	0	112.3	I182 C183 G184 M185 H196 H201	C180-I182 PolarHBondContact O-N 3.18Å; C180-C183 PolarHBondContact O-N 2.64Å; C180-G184 WeakPolarHBondContact O-CA 3.34Å; C180-G184 PolarHBondContact O-N 3.25Å; C180-M185 PolarHBondContact N-O 2.89Å; C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.44Å; C180-H196 PolarHBondContact SG-CD2 2.78Å; C180-H196 PolarHBondContact SG-NE2 3.27Å; C180-H201 VanDerWaalsContact SG-CD2 3.57Å; C180-H201 PolarHBondContact SG-NE2 3.1Å; C180-H201 VanDerWaalsContact SG-NE2 3.45Å
181	R	71.4	Confident	63.5	Low	229 Å²	229	81.2 Å²	81.2	86%	0.864	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	1.7	179.8	-64	-173.8	177.2	178	-1.1	115.5	R179 Y197	R179-R181 PolarHBondContact O-N 3.49Å; R181-Y197 PolarHBondContact N-OH 3.01Å; R181-Y197 VanDerWaalsContact N-OH 3.16Å
182	I	70.3	Confident	65.5	Low	72 Å²	72	80 Å²	80	37%	0.369	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-23.8	-180	-56.3	175.2	0	0	0	112.5	C180 Y197 H201 Y204	C180-I182 PolarHBondContact O-N 3.18Å; I182-Y197 HydrophobicContact CD1-CD1 4.09Å; I182-Y197 HydrophobicContact CD1-CE1 3.68Å; I182-Y197 HydrophobicContact CG1-CE1 4.02Å; I182-H201 HydrophobicContact CD1-CB 3.88Å; I182-H201 VanDerWaalsContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.29Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.45Å; I182-Y204 HydrophobicContact CD1-CD2 3.38Å; I182-Y204 HydrophobicContact CD1-CE2 3.69Å; I182-Y204 HydrophobicContact CD1-CG 3.85Å; I182-Y204 HydrophobicContact CG1-CE2 4.39Å
183	C	75.1	Confident	67.4	Low	57 Å²	57	73 Å²	73	39%	0.385	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.1	19	179.6	77.3	0	0	0	0	115.1	C180 M185 H196 H201	C180-C183 PolarHBondContact O-N 2.64Å; C183-M185 PolarHBondContact O-N 3.27Å; C183-H196 PolarHBondContact SG-CE1 3.37Å; C183-H196 PolarHBondContact SG-NE2 2.06Å; C183-H201 PolarHBondContact SG-NE2 3.23Å
184	G	73.6	Confident	69.4	Low	38 Å²	38	67.6 Å²	67.6	39%	0.392	35%	0.353	S	S	.	.			trans	74.4	-27.6	174.2	0	0	0	0	0	116.6	R179 C180 L186	R179-G184 WeakPolarHBondContact CG-O 3.3Å; C180-G184 WeakPolarHBondContact O-CA 3.34Å; C180-G184 PolarHBondContact O-N 3.25Å; G184-L186 PolarHBondContact O-N 3.3Å
185	M	74.8	Confident	71.5	Confident	75 Å²	75	64.2 Å²	64.2	37%	0.369	33%	0.327	S	S	.	.			trans	-48	125.8	-173.2	-74.9	-172	71.1	0	0	114	C180 C183 H196 R200	C180-M185 PolarHBondContact N-O 2.89Å; C183-M185 PolarHBondContact O-N 3.27Å; M185-H196 PolarHBondContact SD-CE1 3.19Å; M185-R200 PolarHBondContact SD-NH1 2.98Å
186	L	75.4	Confident	73.4	Confident	85 Å²	85	60.2 Å²	60.2	45%	0.445	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.4	173.9	-65.6	169.2	0	0	0	110.4	Q177 R179 G184	Q177-L186 HydrophobicContact CB-CB 3.93Å; Q177-L186 HydrophobicContact CB-CD2 4.18Å; Q177-L186 VanDerWaalsContact OE1-CB 3.29Å; R179-L186 HydrophobicContact CB-CD2 3.71Å; R179-L186 HydrophobicContact CG-CD2 3.9Å; G184-L186 PolarHBondContact O-N 3.3Å
187	L	77	Confident	74.5	Confident	27 Å²	27	60.2 Å²	60.2	14%	0.141	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	132.5	-169.9	-67.2	168	0	0	0	112.1	Y178 S189 K192 I193 H196	Y178-L187 WeakPolarHBondContact CD2-O 3.44Å; Y178-L187 PolarHBondContact N-O 3.39Å; Y178-L187 PolarHBondContact O-N 2.92Å; Y178-L187 VanDerWaalsContact O-N 3.1Å; L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 3.4Å; L187-K192 HydrophobicContact CB-CB 4.12Å; L187-I193 HydrophobicContact CB-CB 4.39Å; L187-I193 HydrophobicContact CD1-CB 3.97Å; L187-I193 HydrophobicContact CD1-CG1 4.15Å; L187-H196 HydrophobicContact CD1-CB 3.33Å
188	S	71.9	Confident	74.8	Confident	56 Å²	56	58.6 Å²	58.6	39%	0.392	28%	0.28	S	S	.	.	S	Bend	trans	-73.4	6.6	-167.4	85.1	0	0	0	0	117.3	K192	S188-K192 WeakPolarHBondContact OG-CD 3.37Å; S188-K192 WeakPolarHBondContact OG-CE 3.42Å; S188-K192 PolarHBondContact OG-NZ 3.25Å
189	S	71.6	Confident	75.2	Confident	11 Å²	11	64.7 Å²	64.7	8%	0.077	30%	0.302	C	S	.	.	S	Bend	trans	-163.1	159.2	173.2	75.2	0	0	0	0	113.7	L187 G191 K192 I193	L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 3.4Å; S189-G191 PolarHBondContact O-N 2.78Å; S189-G191 PolarHBondContact OG-N 3.22Å; S189-K192 PolarHBondContact O-N 2.91Å; S189-K192 VanDerWaalsContact O-N 3.08Å; S189-K192 PolarHBondContact OG-N 2.71Å; S189-I193 PolarHBondContact O-N 3.12Å
190	I	76	Confident	75.3	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.185	31%	0.312	C	S	.	.	H	α-helix	trans	-53.9	-36.4	170.2	-64.9	-178.9	0	0	0	111.1	Y178 I193 K194	Y178-I190 HydrophobicContact CD1-CG1 4.25Å; Y178-I190 HydrophobicContact CE1-CD1 4.18Å; Y178-I190 HydrophobicContact CE1-CG1 3.52Å; Y178-I190 HydrophobicContact CE2-CG1 4.06Å; Y178-I190 VanDerWaalsContact CZ-CG1 3.43Å; Y178-I190 WeakPolarHBondContact OH-CG1 3.39Å; I190-I193 WeakPolarHBondContact O-CG2 3.38Å; I190-K194 HydrophobicContact CG2-CD 3.95Å; I190-K194 VanDerWaalsContact CG2-CE 3.47Å; I190-K194 VanDerWaalsContact CG2-NZ 3.28Å; I190-K194 WeakPolarHBondContact O-CB 3.43Å; I190-K194 VanDerWaalsContact O-CG 3.27Å; I190-K194 WeakPolarHBondContact O-CG 3.22Å; I190-K194 PolarHBondContact O-N 3Å
191	G	76.7	Confident	75.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-47	174.7	0	0	0	0	0	113.4	C148 C165 S189 K194 Q195	C148-G191 VanDerWaalsContact CB-O 3.29Å; C148-G191 WeakPolarHBondContact CB-O 3.36Å; C165-G191 PolarHBondContact O-N 3.17Å; C165-G191 WeakPolarHBondContact SG-CA 3.07Å; S189-G191 PolarHBondContact O-N 2.78Å; S189-G191 PolarHBondContact OG-N 3.22Å; G191-K194 PolarHBondContact O-N 3.06Å; G191-Q195 WeakPolarHBondContact O-CB 3.46Å; G191-Q195 PolarHBondContact O-N 3.1Å
192	K	77.7	Confident	74.4	Confident	100 Å²	100	61.6 Å²	61.6	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-43.7	177.3	-73.9	-177.9	-177.5	175.8	0	111.7	L187 S188 S189 Q195 H196	L187-K192 HydrophobicContact CB-CB 4.12Å; S188-K192 WeakPolarHBondContact OG-CD 3.37Å; S188-K192 WeakPolarHBondContact OG-CE 3.42Å; S188-K192 PolarHBondContact OG-NZ 3.25Å; S189-K192 PolarHBondContact O-N 2.91Å; S189-K192 VanDerWaalsContact O-N 3.08Å; S189-K192 PolarHBondContact OG-N 2.71Å; K192-Q195 WeakPolarHBondContact O-CB 3.29Å; K192-Q195 PolarHBondContact O-N 3.19Å; K192-H196 WeakPolarHBondContact O-CB 3.29Å; K192-H196 PolarHBondContact O-N 3.43Å
193	I	78.7	Confident	73.3	Confident	20 Å²	20	61.7 Å²	61.7	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-37.4	176.8	-167	169.9	0	0	0	112.7	Y178 L187 S189 I190 Q195 H196 Y197	Y178-I193 HydrophobicContact CG-CG2 4.34Å; L187-I193 HydrophobicContact CB-CB 4.39Å; L187-I193 HydrophobicContact CD1-CB 3.97Å; L187-I193 HydrophobicContact CD1-CG1 4.15Å; S189-I193 PolarHBondContact O-N 3.12Å; I190-I193 WeakPolarHBondContact O-CG2 3.38Å; I193-Q195 VanDerWaalsContact C-N 3.32Å; I193-Q195 PolarHBondContact O-N 2.88Å; I193-H196 PolarHBondContact O-N 3.48Å; I193-Y197 HydrophobicContact CD1-CE2 3.85Å; I193-Y197 HydrophobicContact CG1-CD2 3.8Å; I193-Y197 HydrophobicContact CG1-CE2 3.62Å; I193-Y197 VanDerWaalsContact O-CD2 3.26Å; I193-Y197 WeakPolarHBondContact O-CD2 3.44Å; I193-Y197 PolarHBondContact O-N 3.26Å
194	K	76	Confident	72.1	Confident	67 Å²	67	66.5 Å²	66.5	29%	0.291	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-37.9	170.5	-76	169.9	-176.9	167.2	0	112	C148 I190 G191 R198	C148-K194 HydrophobicContact CB-CB 3.81Å; I190-K194 HydrophobicContact CG2-CD 3.95Å; I190-K194 VanDerWaalsContact CG2-CE 3.47Å; I190-K194 VanDerWaalsContact CG2-NZ 3.28Å; I190-K194 WeakPolarHBondContact O-CB 3.43Å; I190-K194 VanDerWaalsContact O-CG 3.27Å; I190-K194 WeakPolarHBondContact O-CG 3.22Å; I190-K194 PolarHBondContact O-N 3Å; G191-K194 PolarHBondContact O-N 3.06Å; K194-R198 WeakPolarHBondContact O-CD 3.05Å; K194-R198 VanDerWaalsContact O-CG 3.25Å; K194-R198 WeakPolarHBondContact O-CG 3.26Å; K194-R198 PolarHBondContact O-N 3.27Å
195	Q	77.6	Confident	70.6	Confident	43 Å²	43	74.7 Å²	74.7	20%	0.201	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-41	175.6	-156.3	-163.3	75.2	0	0	111.8	V147 G191 K192 I193 R198 R199	V147-Q195 PolarHBondContact O-NE2 3.15Å; G191-Q195 WeakPolarHBondContact O-CB 3.46Å; G191-Q195 PolarHBondContact O-N 3.1Å; K192-Q195 WeakPolarHBondContact O-CB 3.29Å; K192-Q195 PolarHBondContact O-N 3.19Å; I193-Q195 VanDerWaalsContact C-N 3.32Å; I193-Q195 PolarHBondContact O-N 2.88Å; Q195-R198 WeakPolarHBondContact O-CB 3.12Å; Q195-R198 PolarHBondContact O-N 2.95Å; Q195-R199 WeakPolarHBondContact O-CB 3.44Å; Q195-R199 PolarHBondContact O-N 2.97Å
196	H	80.1	Confident	68.5	Low	15 Å²	15	74.9 Å²	74.9	7%	0.069	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-48.8	175.6	173.4	86.5	0	0	0	112.6	C180 C183 M185 L187 K192 I193 R198 R199 R200 H201	C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.44Å; C180-H196 PolarHBondContact SG-CD2 2.78Å; C180-H196 PolarHBondContact SG-NE2 3.27Å; C183-H196 PolarHBondContact SG-CE1 3.37Å; C183-H196 PolarHBondContact SG-NE2 2.06Å; M185-H196 PolarHBondContact SD-CE1 3.19Å; L187-H196 HydrophobicContact CD1-CB 3.33Å; K192-H196 WeakPolarHBondContact O-CB 3.29Å; K192-H196 PolarHBondContact O-N 3.43Å; I193-H196 PolarHBondContact O-N 3.48Å; H196-R198 PolarHBondContact O-N 3.34Å; H196-R199 PolarHBondContact O-N 3.17Å; H196-R199 VanDerWaalsContact O-N 3.07Å; H196-R200 WeakPolarHBondContact CE1-CD 3.36Å; H196-R200 PolarHBondContact O-N 3.28Å; H196-H201 AromaticContact CD2-CD2 3.86Å; H196-H201 AromaticContact CD2-NE2 3.89Å; H196-H201 AromaticContact NE2-CD2 3.09Å; H196-H201 PolarHBondContact NE2-CD2 3.2Å; H196-H201 AromaticContact NE2-CE1 3.55Å; H196-H201 AromaticContact NE2-NE2 2.4Å; H196-H201 PolarHBondContact NE2-NE2 3.26Å
197	Y	74.3	Confident	66.5	Low	67 Å²	67	77.9 Å²	77.9	26%	0.263	36%	0.358	S	S	.	.	H	α-helix	trans	-57.4	-34.3	174.5	-83.8	-70.3	0	0	0	112.1	R181 I182 I193 H201	R181-Y197 PolarHBondContact N-OH 3.01Å; R181-Y197 VanDerWaalsContact N-OH 3.16Å; I182-Y197 HydrophobicContact CD1-CD1 4.09Å; I182-Y197 HydrophobicContact CD1-CE1 3.68Å; I182-Y197 HydrophobicContact CG1-CE1 4.02Å; I193-Y197 HydrophobicContact CD1-CE2 3.85Å; I193-Y197 HydrophobicContact CG1-CD2 3.8Å; I193-Y197 HydrophobicContact CG1-CE2 3.62Å; I193-Y197 VanDerWaalsContact O-CD2 3.26Å; I193-Y197 WeakPolarHBondContact O-CD2 3.44Å; I193-Y197 PolarHBondContact O-N 3.26Å; Y197-H201 HydrophobicContact CD1-CB 4.07Å; Y197-H201 AromaticContact CD1-CD2 3.84Å; Y197-H201 CarbonylContact O-C 3.58Å; Y197-H201 VanDerWaalsContact O-CA 3.24Å; Y197-H201 WeakPolarHBondContact O-CA 3.32Å; Y197-H201 PolarHBondContact O-N 3.48Å; Y197-H201 VanDerWaalsContact O-N 3.1Å
198	R	72.1	Confident	64.1	Low	75 Å²	75	82.2 Å²	82.2	28%	0.283	39%	0.391	S	S	.	.	H	α-helix	trans	-71.1	-40.6	174.2	-67.5	163.5	-177.8	-133.7	8.2	113.1	C148 Q149 K194 Q195 H196	C148-R198 WeakPolarHBondContact O-CD 3.38Å; C148-R198 PolarHBondContact O-NE 2.93Å; C148-R198 PolarHBondContact O-NH1 3.41Å; C148-R198 VanDerWaalsContact O-NH1 3.09Å; Q149-R198 PolarHBondContact O-NH1 3.21Å; K194-R198 WeakPolarHBondContact O-CD 3.05Å; K194-R198 VanDerWaalsContact O-CG 3.25Å; K194-R198 WeakPolarHBondContact O-CG 3.26Å; K194-R198 PolarHBondContact O-N 3.27Å; Q195-R198 WeakPolarHBondContact O-CB 3.12Å; Q195-R198 PolarHBondContact O-N 2.95Å; H196-R198 PolarHBondContact O-N 3.34Å
199	R	75.3	Confident	62.3	Low	169 Å²	169	86.7 Å²	86.7	64%	0.638	41%	0.409	S	S	*	.	H	α-helix	trans	-78.3	-51.6	-176	-77.1	178	163.7	174.4	-13.8	112.5	Q195 H196	Q195-R199 WeakPolarHBondContact O-CB 3.44Å; Q195-R199 PolarHBondContact O-N 2.97Å; H196-R199 PolarHBondContact O-N 3.17Å; H196-R199 VanDerWaalsContact O-N 3.07Å
200	R	76.3	Confident	60.2	Low	170 Å²	170	95.1 Å²	95.1	64%	0.642	45%	0.447	S	S	*	.	H	α-helix	trans	-96.6	-20.6	-177	-69.6	-164.6	172.5	-170.8	-1.7	114.9	M185 H196 P202	M185-R200 PolarHBondContact SD-NH1 2.98Å; H196-R200 WeakPolarHBondContact CE1-CD 3.36Å; H196-R200 PolarHBondContact O-N 3.28Å; R200-P202 VanDerWaalsContact C-CD 3.4Å
201	H	75.9	Confident	57.8	Low	30 Å²	30	99.5 Å²	99.5	14%	0.139	47%	0.471	C	S	.	.			trans	-128.7	41.6	-176.8	-48.9	-49.9	0	0	0	115.6	C180 I182 C183 H196 Y197 C203 Y204	C180-H201 VanDerWaalsContact SG-CD2 3.57Å; C180-H201 PolarHBondContact SG-NE2 3.1Å; C180-H201 VanDerWaalsContact SG-NE2 3.45Å; I182-H201 HydrophobicContact CD1-CB 3.88Å; I182-H201 VanDerWaalsContact CG2-CE1 3.5Å; I182-H201 WeakPolarHBondContact CG2-CE1 3.29Å; I182-H201 WeakPolarHBondContact CG2-ND1 3.45Å; C183-H201 PolarHBondContact SG-NE2 3.23Å; H196-H201 AromaticContact CD2-CD2 3.86Å; H196-H201 AromaticContact CD2-NE2 3.89Å; H196-H201 AromaticContact NE2-CD2 3.09Å; H196-H201 PolarHBondContact NE2-CD2 3.2Å; H196-H201 AromaticContact NE2-CE1 3.55Å; H196-H201 AromaticContact NE2-NE2 2.4Å; H196-H201 PolarHBondContact NE2-NE2 3.26Å; Y197-H201 HydrophobicContact CD1-CB 4.07Å; Y197-H201 AromaticContact CD1-CD2 3.84Å; Y197-H201 CarbonylContact O-C 3.58Å; Y197-H201 VanDerWaalsContact O-CA 3.24Å; Y197-H201 WeakPolarHBondContact O-CA 3.32Å; Y197-H201 PolarHBondContact O-N 3.48Å; Y197-H201 VanDerWaalsContact O-N 3.1Å; H201-C203 PolarHBondContact O-N 2.84Å; H201-Y204 PolarHBondContact O-N 2.89Å
202	P	55.9	Low	55.4	Low	80 Å²	80	106.1 Å²	106.1	52%	0.519	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-59.6	-16.5	-173.7	25.7	-36	0	0	0	114.6	R200 Y204	R200-P202 VanDerWaalsContact C-CD 3.4Å; P202-Y204 VanDerWaalsContact C-N 3.3Å; P202-Y204 PolarHBondContact O-N 3.07Å
203	C	46.6	Very low	53	Low	75 Å²	75	104.4 Å²	104.4	51%	0.507	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.3	176.8	-61	0	0	0	0	114.6	H201 R205 R286	H201-C203 PolarHBondContact O-N 2.84Å; C203-R205 VanDerWaalsContact C-N 3.28Å; C203-R205 PolarHBondContact O-N 3.11Å; C203-R286 PolarHBondContact O-NH1 3.03Å
204	Y	51.6	Low	50.5	Low	158 Å²	158	108.7 Å²	108.7	62%	0.62	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-84.1	3.3	-171.9	-137	-92.2	0	0	0	114.5	I182 H201 P202 S206	I182-Y204 HydrophobicContact CD1-CD2 3.38Å; I182-Y204 HydrophobicContact CD1-CE2 3.69Å; I182-Y204 HydrophobicContact CD1-CG 3.85Å; I182-Y204 HydrophobicContact CG1-CE2 4.39Å; H201-Y204 PolarHBondContact O-N 2.89Å; P202-Y204 VanDerWaalsContact C-N 3.3Å; P202-Y204 PolarHBondContact O-N 3.07Å; Y204-S206 PolarHBondContact O-N 3.36Å
205	R	40.6	Very low	48.3	Very low	210 Å²	210	111.7 Å²	111.7	79%	0.792	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	35.1	-166	-144.8	179.9	-164	-170.1	3.9	115.3	C203	C203-R205 VanDerWaalsContact C-N 3.28Å; C203-R205 PolarHBondContact O-N 3.11Å
206	S	31.9	Very low	46	Very low	78 Å²	78	113.8 Å²	113.8	55%	0.545	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.1	15.7	-173	73.3	0	0	0	0	115.8	Y204	Y204-S206 PolarHBondContact O-N 3.36Å
207	H	32.6	Very low	43.6	Very low	148 Å²	148	121.7 Å²	121.7	69%	0.685	62%	0.623	S	S	*	*	S	Bend	trans	-138.3	122.1	166.9	-76.8	-78.2	0	0	0	111.1
208	S	27.4	Very low	41.7	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	64%	0.644	S	S	*	*	S	Bend	trans	52	60.7	146.1	-47.1	0	0	0	0	119.6
209	I	32.8	Very low	39.9	Very low	150 Å²	150	124.2 Å²	124.2	77%	0.769	66%	0.658	S	S	*	*			trans	-133.3	32.9	153.8	-34.1	178.4	0	0	0	111.2
210	E	28.7	Very low	37.9	Very low	189 Å²	189	121.1 Å²	121.1	88%	0.883	65%	0.654	S	S	*	*			trans	-110.8	60.6	174	-70.9	-177.6	-178.8	0	0	109.9
211	N	25.8	Very low	35.6	Very low	127 Å²	127	121.3 Å²	121.3	68%	0.679	66%	0.662	S	S	*	*			trans	-152.1	90.3	172.5	-120.2	-8.4	0	0	0	110.8	G213	N211-G213 PolarHBondContact O-N 3.21Å; N211-G213 VanDerWaalsContact O-N 3.08Å
212	P	26.5	Very low	33.5	Very low	139 Å²	139	125.1 Å²	125.1	90%	0.903	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	13.1	177.1	-17.9	33.1	0	0	0	115
213	G	26	Very low	32.3	Very low	65 Å²	65	124.5 Å²	124.5	67%	0.67	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-23	-168.5	0	0	0	0	0	116.4	N211	N211-G213 PolarHBondContact O-N 3.21Å; N211-G213 VanDerWaalsContact O-N 3.08Å
214	V	26.3	Very low	31.6	Very low	110 Å²	110	127.2 Å²	127.2	67%	0.667	70%	0.701	S	S	*	*			trans	-143.1	99.3	178.8	-172.8	0	0	0	0	110.2	T216	V214-T216 HydrophobicContact CG1-CG2 4.45Å
215	I	29	Very low	30.4	Very low	130 Å²	130	126 Å²	126	67%	0.667	71%	0.706	S	S	*	*			trans	-131.4	87.8	151.7	-57.4	-179.9	0	0	0	105.1	N219	I215-N219 HydrophobicContact CG2-CB 4.36Å
216	T	29.6	Very low	30	Very low	87 Å²	87	120.8 Å²	120.8	53%	0.534	71%	0.708	S	S	.	*			trans	-71.2	153	168.1	45.5	0	0	0	0	109.7	V214 A218 N219	V214-T216 HydrophobicContact CG1-CG2 4.45Å; T216-A218 PolarHBondContact O-N 2.9Å; T216-A218 VanDerWaalsContact O-N 3.09Å; T216-N219 PolarHBondContact O-N 2.99Å; T216-N219 PolarHBondContact O-ND2 3.2Å; T216-N219 VanDerWaalsContact O-ND2 3.12Å
217	E	30.2	Very low	29.9	Very low	181 Å²	181	120.4 Å²	120.4	85%	0.846	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-63.4	-23.5	-164.3	-62.8	175.9	137.9	0	0	113.4	N219 L220	E217-N219 PolarHBondContact O-N 2.98Å; E217-L220 PolarHBondContact O-N 3.43Å
218	A	35	Very low	29.8	Very low	86 Å²	86	120.7 Å²	120.7	71%	0.711	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-59.3	0.1	172.4	0	0	0	0	0	116.2	T216	T216-A218 PolarHBondContact O-N 2.9Å; T216-A218 VanDerWaalsContact O-N 3.09Å
219	N	34.1	Very low	29.8	Very low	109 Å²	109	122.3 Å²	122.3	58%	0.583	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-100.9	8	176.7	-69.5	-93.1	0	0	0	113.6	I215 T216 E217	I215-N219 HydrophobicContact CG2-CB 4.36Å; T216-N219 PolarHBondContact O-N 2.99Å; T216-N219 PolarHBondContact O-ND2 3.2Å; T216-N219 VanDerWaalsContact O-ND2 3.12Å; E217-N219 PolarHBondContact O-N 2.98Å
220	L	32.3	Very low	29.8	Very low	103 Å²	103	126.2 Å²	126.2	54%	0.539	73%	0.725	S	S	.	*			trans	-129.6	44.8	-174.8	-72.9	171.5	0	0	0	112.7	Y178 E217	Y178-L220 HydrophobicContact CE1-CD2 4.22Å; E217-L220 PolarHBondContact O-N 3.43Å
221	E	28.8	Very low	29.8	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	72%	0.716	S	S	*	*			trans	-60.5	134.2	170.6	-66.8	-171.8	148.5	0	0	111.4
222	P	31.6	Very low	29.8	Very low	110 Å²	110	121 Å²	121	71%	0.714	72%	0.72	S	S	*	*			trans	-63.2	144.4	170.3	-18.2	31.3	0	0	0	110.9	T224	P222-T224 PolarHBondContact O-N 2.93Å; P222-T224 VanDerWaalsContact O-N 3.1Å
223	S	30.3	Very low	30	Very low	68 Å²	68	123.8 Å²	123.8	48%	0.476	72%	0.718	S	S	.	*			trans	-80.4	90.8	169.6	62.6	0	0	0	0	110.4
224	T	32.5	Very low	30.2	Very low	132 Å²	132	128 Å²	128	81%	0.81	72%	0.724	S	S	*	*			trans	-75.6	129.5	152.7	42.9	0	0	0	0	108.3	P222 A226	P222-T224 PolarHBondContact O-N 2.93Å; P222-T224 VanDerWaalsContact O-N 3.1Å; T224-A226 PolarHBondContact O-N 3.25Å
225	D	27.3	Very low	30.2	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	73%	0.728	S	S	*	*			trans	-83.6	109.7	-178.5	-74.7	-71.8	0	0	0	110.7	R179	R179-D225 IonicContact CZ-OD1 2.64Å; R179-D225 IonicContact NH2-OD1 2.7Å; R179-D225 PolarHBondContact NH2-OD1 3.11Å; R179-D225 IonicContact NH2-OD2 3.39Å; R179-D225 PolarHBondContact NH2-OD2 2.83Å
226	A	30.7	Very low	30.2	Very low	101 Å²	101	130.8 Å²	130.8	84%	0.835	74%	0.736	S	S	*	*			trans	-168.5	131	155.8	0	0	0	0	0	112.5	T224	T224-A226 PolarHBondContact O-N 3.25Å
227	G	30.6	Very low	30.2	Very low	70 Å²	70	131.3 Å²	131.3	72%	0.722	74%	0.739	S	S	*	*			trans	88.9	132.3	149.7	0	0	0	0	0	121.3
228	N	31	Very low	30.2	Very low	153 Å²	153	129.2 Å²	129.2	82%	0.818	73%	0.734	S	S	*	*			trans	65.7	77.4	130.7	-59	-16.3	0	0	0	121.9
229	I	27.6	Very low	29.8	Very low	153 Å²	153	134.1 Å²	134.1	79%	0.785	74%	0.741	S	S	*	*				24.4	109.9	111.2	-43.5	173	0	0	0	117.8
230	R	32.3	Very low	29.5	Very low	231 Å²	231	133.6 Å²	133.6	87%	0.872	74%	0.738	S	S	*	*			trans	160.1	97.2	138	-91.1	165.8	176.2	166.1	0.3	111
231	S	28.4	Very low	29.4	Very low	98 Å²	98	132.3 Å²	132.3	69%	0.685	74%	0.738	S	S	*	*				71.4	73.3	78.5	77.6	0	0	0	0	117.7
232	S	26.6	Very low	29.5	Very low	110 Å²	110	130 Å²	130	77%	0.769	74%	0.735	S	S	*	*			trans	28.9	123.3	135.5	61.7	0	0	0	0	121.8
233	K	29.6	Very low	29.4	Very low	197 Å²	197	131.4 Å²	131.4	86%	0.857	74%	0.736	S	S	*	*			trans	161.6	103.4	136.1	-92.9	166.9	178.9	177.6	0	112.9
234	L	30.3	Very low	29.5	Very low	154 Å²	154	133.1 Å²	133.1	81%	0.806	74%	0.738	S	S	*	*			trans	-173.2	153.1	152.7	-93.6	127.7	0	0	0	109.4
235	R	27.3	Very low	29.4	Very low	198 Å²	198	136 Å²	136	75%	0.747	74%	0.74	S	S	*	*			cis	-158.9	167.6	-44.5	-150.2	174.6	-72.1	-158.7	1	108	T237	R235-T237 PolarHBondContact O-N 3.07Å
236	A	27.8	Very low	29.4	Very low	100 Å²	100	140.7 Å²	140.7	83%	0.826	75%	0.748	S	S	*	*			trans	-87	99.1	170.3	0	0	0	0	0	110.2
237	T	29.6	Very low	29.3	Very low	98 Å²	98	138.4 Å²	138.4	60%	0.601	73%	0.734	S	S	*	*			trans	-153.6	95.1	175.6	43.1	0	0	0	0	110	R235	R235-T237 PolarHBondContact O-N 3.07Å
238	D	29.5	Very low	29.3	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	74%	0.74	S	S	*	*	S	Bend	trans	-164.7	28.6	148.8	-115	-14.2	0	0	0	116.1
239	H	27.4	Very low	29.1	Very low	189 Å²	189	146.2 Å²	146.2	88%	0.875	74%	0.738	S	S	*	*	S	Bend	trans	-119.4	53.5	155.2	-87.9	-37.6	0	0	0	110.2
240	L	27.7	Very low	29.2	Very low	98 Å²	98	148.8 Å²	148.8	51%	0.513	74%	0.737	S	S	.	*			trans	-128.7	3.3	164.2	-89.5	175.2	0	0	0	113.4	T242 I243 I244	L240-T242 PolarHBondContact O-N 3.44Å; L240-I243 PolarHBondContact O-N 3.29Å; L240-I244 HydrophobicContact CD2-CD1 4.2Å; L240-I244 HydrophobicContact CD2-CG1 4.25Å; L240-I244 PolarHBondContact O-N 2.79Å
241	S	30.4	Very low	29	Very low	76 Å²	76	142.5 Å²	142.5	53%	0.531	73%	0.729	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.9	-1.9	-177.9	45.1	0	0	0	0	115.6
242	T	30	Very low	28.9	Very low	124 Å²	124	146.8 Å²	146.8	76%	0.761	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	-1.3	179.5	46.6	0	0	0	0	115.9	L240	L240-T242 PolarHBondContact O-N 3.44Å
243	I	30.9	Very low	29	Very low	141 Å²	141	149 Å²	149	72%	0.723	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-35.2	175	-66.7	-177.8	0	0	0	112.2	L240 K245	L240-I243 PolarHBondContact O-N 3.29Å; I243-K245 PolarHBondContact O-N 3.27Å
244	I	32	Very low	29.1	Very low	104 Å²	104	144.5 Å²	144.5	53%	0.533	73%	0.732	S	S	.	*			trans	-103.1	52.9	174.2	-48.8	-178.4	0	0	0	110	L240 R246 G247	L240-I244 HydrophobicContact CD2-CD1 4.2Å; L240-I244 HydrophobicContact CD2-CG1 4.25Å; L240-I244 PolarHBondContact O-N 2.79Å; I244-R246 WeakPolarHBondContact CG2-O 3.48Å; I244-G247 WeakPolarHBondContact CG2-O 3.46Å
245	K	29.7	Very low	29.2	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	74%	0.735	S	S	*	*	S	Bend	trans	-86.3	3.4	155	-131	-176.2	-176.3	-172.3	0	111.7	I243	I243-K245 PolarHBondContact O-N 3.27Å
246	R	27.8	Very low	29.2	Very low	230 Å²	230	139.9 Å²	139.9	87%	0.868	73%	0.728	S	S	*	*	S	Bend	trans	-141.1	136.6	171.5	-67.9	177.8	172.8	164.9	-4.2	107	I244	I244-R246 WeakPolarHBondContact CG2-O 3.48Å
247	G	28.5	Very low	29.2	Very low	53 Å²	53	142.3 Å²	142.3	55%	0.546	73%	0.725	S	S	.	*	S	Bend	trans	109.9	79.4	178.5	0	0	0	0	0	115.1	I244	I244-G247 WeakPolarHBondContact CG2-O 3.46Å
248	Q	30.4	Very low	29.2	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	73%	0.726	S	S	*	*			trans	40.7	109.1	143.9	-65.2	161.8	-6.2	0	0	118.5
249	R	27.7	Very low	29.4	Very low	206 Å²	206	142.6 Å²	142.6	78%	0.777	72%	0.722	S	S	*	*				68.6	127.3	76.1	-75.3	-177.1	172.9	-178.6	-1.1	114.6
250	R	28.8	Very low	29.6	Very low	207 Å²	207	140.3 Å²	140.3	78%	0.781	71%	0.711	S	S	*	*			trans	67.1	106.8	145.2	-67.6	176	-178.5	-179.7	-2.7	115.6
251	S	28.6	Very low	29.7	Very low	99 Å²	99	144 Å²	144	69%	0.692	73%	0.731	S	S	*	*				96.5	118.3	84.6	66.7	0	0	0	0	110.6
252	K	25.9	Very low	29.5	Very low	189 Å²	189	146 Å²	146	82%	0.822	73%	0.734	S	S	*	*				44.7	112.2	100.3	-71.1	-171.5	175.5	-174.8	0	113.2
253	N	29.1	Very low	29.4	Very low	157 Å²	157	149.7 Å²	149.7	84%	0.84	74%	0.736	S	S	*	*			trans	137.2	79.4	148.7	-70.7	4.3	0	0	0	112.9
254	S	32.5	Very low	29.4	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	74%	0.743	S	S	*	*			trans	170.8	114.4	153.8	47.8	0	0	0	0	109.1
255	L	31.6	Very low	29	Very low	168 Å²	168	153.5 Å²	153.5	88%	0.88	75%	0.752	S	S	*	*			cis	62.6	68.5	-9.9	-144.2	176.9	0	0	0	115.6
256	S	26.7	Very low	28.8	Very low	86 Å²	86	149.6 Å²	149.6	60%	0.601	75%	0.746	S	S	*	*			trans	-166.2	123.5	164.6	52.1	0	0	0	0	108.9
257	M	27.4	Very low	28.7	Very low	151 Å²	151	144.3 Å²	144.3	74%	0.744	74%	0.739	S	S	*	*			trans	67.3	130.1	171.2	-50.5	-170.2	82.9	0	0	115.4
258	L	30.7	Very low	28.5	Very low	119 Å²	119	149.7 Å²	149.7	62%	0.623	75%	0.75	S	S	*	*			cis	-121.5	137.8	-4.6	-70.1	94.3	0	0	0	108.3	Q260	L258-Q260 HydrophobicContact CB-CB 4.41Å; L258-Q260 HydrophobicContact CD2-CB 3.93Å; L258-Q260 HydrophobicContact CD2-CG 4.27Å; L258-Q260 VanDerWaalsContact CD2-OE1 3.28Å
259	D	33.7	Very low	28.3	Very low	123 Å²	123	149.5 Å²	149.5	66%	0.658	75%	0.749	S	S	*	*			cis	54	60.2	14.6	-59.6	-39.3	0	0	0	113.7
260	Q	30.6	Very low	28.4	Very low	140 Å²	140	144.7 Å²	144.7	65%	0.654	74%	0.744	S	S	*	*			trans	-168.5	-10.1	154.4	-110.4	167.9	17.8	0	0	115.5	L258	L258-Q260 HydrophobicContact CB-CB 4.41Å; L258-Q260 HydrophobicContact CD2-CB 3.93Å; L258-Q260 HydrophobicContact CD2-CG 4.27Å; L258-Q260 VanDerWaalsContact CD2-OE1 3.28Å
261	L	31.4	Very low	28.1	Very low	177 Å²	177	140.5 Å²	140.5	93%	0.927	74%	0.742	S	S	*	*			trans	-140.7	76.8	178.3	-63	171.8	0	0	0	109.9
262	I	25.4	Very low	27.9	Very low	117 Å²	117	142.5 Å²	142.5	60%	0.6	74%	0.743	S	S	*	*			cis	68.9	110.2	30.8	-61.3	-175.9	0	0	0	113.4
263	Y	28.9	Very low	27.9	Very low	201 Å²	201	137.7 Å²	137.7	79%	0.788	72%	0.723	S	S	*	*			trans	40.6	91.4	149	-72.7	-112.9	0	0	0	120.1
264	Q	29.4	Very low	27.8	Very low	186 Å²	186	135.7 Å²	135.7	87%	0.869	71%	0.713	S	S	*	*			trans	-172.5	130.1	141.9	-98.1	146.2	47.5	0	0	106.6
265	I	25.1	Very low	27.6	Very low	140 Å²	140	137 Å²	137	72%	0.718	71%	0.712	S	S	*	*			cis	70.4	132.2	37.4	-50.9	168.9	0	0	0	110.9
266	P	25.4	Very low	27.5	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	70%	0.701	S	S	*	*			cis	-101.7	-173.9	-2.2	17.1	6.9	0	0	0	111.5
267	V	24.9	Very low	27.8	Very low	120 Å²	120	138.2 Å²	138.2	73%	0.727	71%	0.713	S	S	*	*			cis	78.7	139.2	29	-173.8	0	0	0	0	114.4
268	E	25	Very low	27.9	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	71%	0.708	S	S	*	*			trans	71	119.7	174.8	-79.6	147.4	-132.4	0	0	122
269	Q	25.6	Very low	27.9	Very low	175 Å²	175	135.9 Å²	135.9	82%	0.818	71%	0.713	S	S	*	*				27.6	157	127.4	-54	-167.4	43.4	0	0	122.1
270	P	29	Very low	27.8	Very low	105 Å²	105	138.3 Å²	138.3	68%	0.682	72%	0.718	S	S	*	*			cis	-137.4	-155.8	-24.1	31.8	-7.6	0	0	0	113
271	V	23.5	Very low	27.9	Very low	120 Å²	120	136.6 Å²	136.6	73%	0.727	72%	0.721	S	S	*	*			trans	74.7	111.3	154.9	176.9	0	0	0	0	121.5
272	I	24.2	Very low	27.6	Very low	140 Å²	140	134.4 Å²	134.4	72%	0.718	71%	0.711	S	S	*	*			trans	50.9	135.6	131.5	-52.7	178.6	0	0	0	123.1
273	Q	25.8	Very low	28	Very low	89 Å²	89	139.9 Å²	139.9	42%	0.416	72%	0.724	S	S	.	*			trans	73.9	102.3	158	-81.9	168.9	32.7	0	0	123	F751	Q273-F751 HydrophobicContact CG-CD2 4.39Å; Q273-F751 HydrophobicContact CG-CE1 4.25Å; Q273-F751 HydrophobicContact CG-CE2 3.75Å; Q273-F751 HydrophobicContact CG-CZ 3.68Å
274	D	27.8	Very low	28.3	Very low	114 Å²	114	138.4 Å²	138.4	61%	0.61	72%	0.721	S	S	*	*				80.7	139	120.6	-106.4	30	0	0	0	126.4
275	N	27.6	Very low	28.6	Very low	130 Å²	130	139.3 Å²	139.3	70%	0.695	72%	0.723	S	S	*	*			trans	77.7	92.5	153.3	-65.6	-49	0	0	0	124.1
276	S	29.7	Very low	29.3	Very low	94 Å²	94	141.2 Å²	141.2	66%	0.657	72%	0.721	S	S	*	*			trans	48.1	129.6	131.6	63.4	0	0	0	0	121.8
277	H	31.9	Very low	30.2	Very low	186 Å²	186	144 Å²	144	86%	0.861	72%	0.721	S	S	*	*				-161.4	-167.6	78.8	-117	-97.9	0	0	0	115.4
278	A	30.9	Very low	31.6	Very low	76 Å²	76	143.9 Å²	143.9	63%	0.628	72%	0.722	S	S	*	*			trans	-68.7	167.9	-167.1	0	0	0	0	0	115.7
279	I	30.9	Very low	33.8	Very low	144 Å²	144	139.2 Å²	139.2	74%	0.738	71%	0.705	S	S	*	*				-152.8	117.9	68.9	-80.9	175.5	0	0	0	115
280	K	30.9	Very low	36.3	Very low	175 Å²	175	134.3 Å²	134.3	76%	0.761	68%	0.68	S	S	*	*			trans	43.7	92.4	136.3	-49.2	169.8	-163.8	158.9	0	120.8
281	S	31.9	Very low	38.8	Very low	103 Å²	103	133.8 Å²	133.8	72%	0.72	67%	0.671	S	S	*	*				-132.9	139.4	122.3	79.2	0	0	0	0	110.4	R283	S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.04Å
282	N	26.8	Very low	41.6	Very low	131 Å²	131	128.1 Å²	128.1	70%	0.701	64%	0.636	S	S	*	*			trans	-84	47.6	-154.1	-118	-65	0	0	0	115.5	K284	N282-K284 PolarHBondContact O-N 2.86Å; N282-K284 VanDerWaalsContact OD1-CE 3.27Å; N282-K284 WeakPolarHBondContact OD1-CE 3.44Å
283	R	34.1	Very low	44.2	Very low	233 Å²	233	125.7 Å²	125.7	88%	0.879	63%	0.632	S	S	*	*			trans	-69.7	72.1	171.9	-74.4	-175.6	173	178.8	-1.1	111.7	S281 K285	S281-R283 VanDerWaalsContact C-N 3.28Å; S281-R283 PolarHBondContact O-N 3.04Å; R283-K285 PolarHBondContact O-N 2.9Å
284	K	34.7	Very low	46.8	Very low	169 Å²	169	125.8 Å²	125.8	74%	0.735	64%	0.639	S	S	*	*			trans	-64.6	101.2	177.6	-77.8	-179.8	173.8	168	0	111.5	N282 R286	N282-K284 PolarHBondContact O-N 2.86Å; N282-K284 VanDerWaalsContact OD1-CE 3.27Å; N282-K284 WeakPolarHBondContact OD1-CE 3.44Å; K284-R286 PolarHBondContact O-N 2.78Å; K284-R286 VanDerWaalsContact O-N 3.07Å
285	K	34.9	Very low	49.3	Very low	205 Å²	205	122.5 Å²	122.5	89%	0.891	62%	0.624	S	S	*	*			trans	-42.9	113.3	168.5	-67.9	-177.3	178	-179.2	0	109	R283 K287	R283-K285 PolarHBondContact O-N 2.9Å; K285-K287 PolarHBondContact O-N 3.01Å; K285-K287 VanDerWaalsContact O-N 3.08Å
286	R	39.1	Very low	51.9	Low	180 Å²	180	122.9 Å²	122.9	68%	0.679	62%	0.621	S	S	*	*			trans	-75.4	100	-174.3	-72.9	-173.9	177.4	-174.1	1.5	109.5	C203 K284	C203-R286 PolarHBondContact O-NH1 3.03Å; K284-R286 PolarHBondContact O-N 2.78Å; K284-R286 VanDerWaalsContact O-N 3.07Å
287	K	44.8	Very low	54	Low	168 Å²	168	124.5 Å²	124.5	73%	0.73	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-53.1	141.7	175.5	-61.6	-164.3	176.4	-162.8	0	110.9	K285	K285-K287 PolarHBondContact O-N 3.01Å; K285-K287 VanDerWaalsContact O-N 3.08Å
288	T	54.4	Low	56.3	Low	119 Å²	119	122.8 Å²	122.8	73%	0.73	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-57.7	145.8	174	40.8	0	0	0	0	110.9	Y290	T288-Y290 PolarHBondContact O-N 2.83Å
289	P	70.5	Confident	58.7	Low	67 Å²	67	121 Å²	121	44%	0.435	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-70.7	125.7	-177.5	28.1	-33.7	0	0	0	110.8	L291 K298	P289-L291 PolarHBondContact O-N 3.28Å; P289-L291 VanDerWaalsContact O-N 3.15Å; P289-K298 HydrophobicContact CB-CB 4.22Å; P289-K298 HydrophobicContact CB-CG 4.5Å; P289-K298 HydrophobicContact CG-CD 4.47Å
290	Y	78.2	Confident	60.8	Low	72 Å²	72	120.4 Å²	120.4	28%	0.282	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-64.5	113.3	-178.9	-65.8	-83.9	0	0	0	110.4	T288 F299 P302	T288-Y290 PolarHBondContact O-N 2.83Å; Y290-F299 PolarHBondContact N-O 3.24Å; Y290-F299 PolarHBondContact O-N 3.27Å; Y290-P302 HydrophobicContact CD1-CG 4.35Å; Y290-P302 HydrophobicContact CD2-CG 4.27Å; Y290-P302 HydrophobicContact CE1-CG 3.86Å; Y290-P302 HydrophobicContact CE2-CG 3.77Å
291	L	81.4	Confident	63.1	Low	95 Å²	95	118 Å²	118	50%	0.497	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86	145.3	-179.6	-77.4	154.9	0	0	0	111.1	P289 H296 K298 L305	P289-L291 PolarHBondContact O-N 3.28Å; P289-L291 VanDerWaalsContact O-N 3.15Å; L291-H296 WeakPolarHBondContact CD2-O 3.43Å; L291-K298 HydrophobicContact CD2-CD 4.33Å; L291-K298 HydrophobicContact CD2-CG 3.53Å; L291-K298 HydrophobicContact CG-CG 4.29Å; L291-L305 WeakPolarHBondContact O-CD2 3.36Å
292	C	84.1	Confident	65.6	Low	0 Å²	0	116.6 Å²	116.6	0%	0	57%	0.565	C	S	.	*			trans	-82.5	125.4	163.6	178.2	0	0	0	0	110.2	V294 C295 H296 K297 F299 L305 H308 M309 H312	C292-V294 VanDerWaalsContact C-N 3.32Å; C292-V294 PolarHBondContact O-N 3.31Å; C292-V294 PolarHBondContact SG-N 2.92Å; C292-V294 VanDerWaalsContact SG-N 3.4Å; C292-C295 PolarHBondContact SG-N 3.06Å; C292-H296 WeakPolarHBondContact O-CA 3.33Å; C292-H296 PolarHBondContact O-N 3.42Å; C292-K297 PolarHBondContact N-O 3.16Å; C292-F299 HydrophobicContact CB-CE2 4.3Å; C292-L305 HydrophobicContact CB-CD1 4.02Å; C292-H308 PolarHBondContact SG-NE2 3.2Å; C292-M309 HydrophobicContact CB-CE 4.4Å; C292-H312 PolarHBondContact SG-NE2 3.13Å
293	S	78.5	Confident	68	Low	89 Å²	89	114.1 Å²	114.1	62%	0.622	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-42.1	171.9	45.4	0	0	0	0	112.8	H296 M309	S293-H296 PolarHBondContact O-CE1 2.77Å; S293-H296 VanDerWaalsContact O-CE1 3.31Å; S293-M309 WeakPolarHBondContact OG-CE 3.45Å
294	V	79.1	Confident	70.2	Confident	92 Å²	92	106.2 Å²	106.2	56%	0.558	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.6	-171.9	-170.7	0	0	0	0	114.3	C292 H312	C292-V294 VanDerWaalsContact C-N 3.32Å; C292-V294 PolarHBondContact O-N 3.31Å; C292-V294 PolarHBondContact SG-N 2.92Å; C292-V294 VanDerWaalsContact SG-N 3.4Å; V294-H312 HydrophobicContact CG1-CB 4.42Å; V294-H312 HydrophobicContact CG2-CB 4.36Å
295	C	81.7	Confident	72.6	Confident	44 Å²	44	99.7 Å²	99.7	30%	0.297	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.2	16	-179.7	74.9	0	0	0	0	116	C292 K297 H308	C292-C295 PolarHBondContact SG-N 3.06Å; C295-K297 PolarHBondContact O-N 3.49Å; C295-H308 VanDerWaalsContact SG-CE1 3.59Å; C295-H308 PolarHBondContact SG-NE2 3.27Å
296	H	80.9	Confident	74.7	Confident	138 Å²	138	98 Å²	98	64%	0.639	50%	0.498	S	S	*	.			trans	54.9	11.5	172.5	-43.7	-55.2	0	0	0	117.2	L291 C292 S293 K298	L291-H296 WeakPolarHBondContact CD2-O 3.43Å; C292-H296 WeakPolarHBondContact O-CA 3.33Å; C292-H296 PolarHBondContact O-N 3.42Å; S293-H296 PolarHBondContact O-CE1 2.77Å; S293-H296 VanDerWaalsContact O-CE1 3.31Å; H296-K298 PolarHBondContact O-N 3.49Å
297	K	73.9	Confident	76.3	Confident	129 Å²	129	95.5 Å²	95.5	56%	0.561	49%	0.489	S	S	*	.			trans	-63.9	134.7	172.9	-71.7	-178.7	-178.8	178.7	0	110.5	C292 C295 F299	C292-K297 PolarHBondContact N-O 3.16Å; C295-K297 PolarHBondContact O-N 3.49Å; K297-F299 HydrophobicContact CB-CE2 3.7Å; K297-F299 HydrophobicContact CB-CZ 3.91Å; K297-F299 VanDerWaalsContact O-CD2 3.27Å; K297-F299 WeakPolarHBondContact O-CD2 3.17Å; K297-F299 VanDerWaalsContact O-CE2 3.24Å; K297-F299 WeakPolarHBondContact O-CE2 3.45Å
298	K	80.7	Confident	78	Confident	150 Å²	150	88.5 Å²	88.5	65%	0.652	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	131.8	-174.5	-70.2	172.9	-177.9	175.4	0	110.7	P289 L291 H296	P289-K298 HydrophobicContact CB-CB 4.22Å; P289-K298 HydrophobicContact CB-CG 4.5Å; P289-K298 HydrophobicContact CG-CD 4.47Å; L291-K298 HydrophobicContact CD2-CD 4.33Å; L291-K298 HydrophobicContact CD2-CG 3.53Å; L291-K298 HydrophobicContact CG-CG 4.29Å; H296-K298 PolarHBondContact O-N 3.49Å
299	F	80.3	Confident	79.1	Confident	39 Å²	39	85 Å²	85	17%	0.171	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.2	-176.5	-64.1	-83.3	0	0	0	112.3	Y290 C292 K297 K301 L304 L305 H308	Y290-F299 PolarHBondContact N-O 3.24Å; Y290-F299 PolarHBondContact O-N 3.27Å; C292-F299 HydrophobicContact CB-CE2 4.3Å; K297-F299 HydrophobicContact CB-CE2 3.7Å; K297-F299 HydrophobicContact CB-CZ 3.91Å; K297-F299 VanDerWaalsContact O-CD2 3.27Å; K297-F299 WeakPolarHBondContact O-CD2 3.17Å; K297-F299 VanDerWaalsContact O-CE2 3.24Å; K297-F299 WeakPolarHBondContact O-CE2 3.45Å; F299-K301 VanDerWaalsContact C-N 3.28Å; F299-K301 PolarHBondContact O-N 3.29Å; F299-L304 HydrophobicContact CB-CB 4.2Å; F299-L304 HydrophobicContact CD1-CB 3.84Å; F299-L304 HydrophobicContact CG-CB 4.38Å; F299-L305 HydrophobicContact CB-CB 4.32Å; F299-L305 HydrophobicContact CD2-CB 4.32Å; F299-L305 HydrophobicContact CD2-CD1 3.8Å; F299-L305 HydrophobicContact CE2-CD1 4.15Å; F299-L305 HydrophobicContact CG-CB 4.42Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 3.95Å; F299-H308 AromaticContact CE2-CD2 3.3Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.44Å; F299-H308 AromaticContact CE2-CG 3.67Å; F299-H308 HydrophobicContact CZ-CB 3.45Å; F299-H308 VanDerWaalsContact CZ-CB 3.45Å; F299-H308 AromaticContact CZ-CD2 3.4Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.43Å; F299-H308 AromaticContact CZ-CG 3.26Å; F299-H308 AromaticContact CZ-ND1 3.87Å
300	V	75.6	Confident	79.5	Confident	130 Å²	130	82.8 Å²	82.8	79%	0.788	42%	0.42	S	S	*	.	S	Bend	trans	-77.1	-12.9	-177.3	-173.7	0	0	0	0	112.7
301	K	80.1	Confident	79.2	Confident	125 Å²	125	84.6 Å²	84.6	54%	0.543	43%	0.434	S	S	.	.	S	Bend	trans	-145.5	147	-179.2	-62.6	-171.2	177.7	-171.7	0	111.6	F299 S303 L304 L305	F299-K301 VanDerWaalsContact C-N 3.28Å; F299-K301 PolarHBondContact O-N 3.29Å; K301-S303 PolarHBondContact O-N 3.26Å; K301-L304 HydrophobicContact CB-CD1 4.3Å; K301-L304 HydrophobicContact CB-CG 4.25Å; K301-L304 PolarHBondContact O-N 3.4Å; K301-L305 PolarHBondContact O-N 2.95Å
302	P	83.1	Confident	79.1	Confident	74 Å²	74	83 Å²	83	48%	0.481	42%	0.424	S	S	.	.	H	α-helix	trans	-57.8	-36.2	174	-20.8	30.2	0	0	0	112.8	Y290 L304 L305 K306	Y290-P302 HydrophobicContact CD1-CG 4.35Å; Y290-P302 HydrophobicContact CD2-CG 4.27Å; Y290-P302 HydrophobicContact CE1-CG 3.86Å; Y290-P302 HydrophobicContact CE2-CG 3.77Å; P302-L304 VanDerWaalsContact C-N 3.26Å; P302-L304 PolarHBondContact O-N 3.16Å; P302-L305 CarbonylContact O-C 2.95Å; P302-L305 WeakPolarHBondContact O-CB 3.29Å; P302-L305 PolarHBondContact O-N 3.24Å; P302-L305 VanDerWaalsContact O-N 3.14Å; P302-K306 PolarHBondContact O-N 2.96Å
303	S	79.1	Confident	78.5	Confident	79 Å²	79	87.4 Å²	87.4	55%	0.552	45%	0.451	S	S	*	.	H	α-helix	trans	-65.8	-26.7	177.6	54	0	0	0	0	113.6	K301 R307	K301-S303 PolarHBondContact O-N 3.26Å; S303-R307 VanDerWaalsContact O-CB 3.3Å; S303-R307 WeakPolarHBondContact O-CB 3.41Å; S303-R307 PolarHBondContact O-N 3.34Å; S303-R307 VanDerWaalsContact O-N 3.09Å
304	L	79	Confident	77.7	Confident	67 Å²	67	91.3 Å²	91.3	35%	0.351	46%	0.456	S	S	.	.	H	α-helix	trans	-78.6	-35.1	172.3	-64.9	174.9	0	0	0	111.4	F299 K301 P302 H308	F299-L304 HydrophobicContact CB-CB 4.2Å; F299-L304 HydrophobicContact CD1-CB 3.84Å; F299-L304 HydrophobicContact CG-CB 4.38Å; K301-L304 HydrophobicContact CB-CD1 4.3Å; K301-L304 HydrophobicContact CB-CG 4.25Å; K301-L304 PolarHBondContact O-N 3.4Å; P302-L304 VanDerWaalsContact C-N 3.26Å; P302-L304 PolarHBondContact O-N 3.16Å; L304-H308 WeakPolarHBondContact O-CB 3.41Å; L304-H308 PolarHBondContact O-N 3.25Å
305	L	84.6	Confident	77.2	Confident	31 Å²	31	91.2 Å²	91.2	16%	0.162	45%	0.453	C	S	.	.	H	α-helix	trans	-63.2	-50.1	169.7	-179.6	61.6	0	0	0	111	L291 C292 F299 K301 P302 R307 H308 M309	L291-L305 WeakPolarHBondContact O-CD2 3.36Å; C292-L305 HydrophobicContact CB-CD1 4.02Å; F299-L305 HydrophobicContact CB-CB 4.32Å; F299-L305 HydrophobicContact CD2-CB 4.32Å; F299-L305 HydrophobicContact CD2-CD1 3.8Å; F299-L305 HydrophobicContact CE2-CD1 4.15Å; F299-L305 HydrophobicContact CG-CB 4.42Å; K301-L305 PolarHBondContact O-N 2.95Å; P302-L305 CarbonylContact O-C 2.95Å; P302-L305 WeakPolarHBondContact O-CB 3.29Å; P302-L305 PolarHBondContact O-N 3.24Å; P302-L305 VanDerWaalsContact O-N 3.14Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.19Å; L305-H308 CarbonylContact O-C 3.56Å; L305-H308 WeakPolarHBondContact O-CA 3.13Å; L305-H308 WeakPolarHBondContact O-CB 3.39Å; L305-H308 PolarHBondContact O-N 3.1Å; L305-M309 HydrophobicContact CD1-CE 3.97Å; L305-M309 HydrophobicContact CD1-CG 4.37Å; L305-M309 HydrophobicContact CD1-SD 4.47Å; L305-M309 HydrophobicContact CG-CE 4.5Å; L305-M309 HydrophobicContact CG-CG 4.45Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 2.83Å
306	K	78.8	Confident	76.7	Confident	169 Å²	169	94.7 Å²	94.7	74%	0.735	46%	0.463	S	S	*	.	H	α-helix	trans	-59.3	-41.8	177.8	-166.3	165.6	-176.7	169.5	0	111.7	P302 H308 M309 T310	P302-K306 PolarHBondContact O-N 2.96Å; K306-H308 VanDerWaalsContact C-N 3.26Å; K306-H308 PolarHBondContact O-N 3.34Å; K306-M309 PolarHBondContact O-N 2.9Å; K306-T310 PolarHBondContact O-N 2.97Å
307	R	73.6	Confident	76.4	Confident	129 Å²	129	91.2 Å²	91.2	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-69.2	-19.4	173	-162.2	-173.4	74.2	136.9	-7.4	113.9	S303 L305 T310 Q329	S303-R307 VanDerWaalsContact O-CB 3.3Å; S303-R307 WeakPolarHBondContact O-CB 3.41Å; S303-R307 PolarHBondContact O-N 3.34Å; S303-R307 VanDerWaalsContact O-N 3.09Å; L305-R307 VanDerWaalsContact C-N 3.34Å; L305-R307 PolarHBondContact O-N 3.19Å; R307-T310 PolarHBondContact O-OG1 3.04Å; R307-T310 VanDerWaalsContact O-OG1 3.1Å; R307-Q329 HydrophobicContact CG-CG 4.04Å
308	H	80.4	Confident	76.5	Confident	21 Å²	21	89.4 Å²	89.4	10%	0.097	44%	0.444	C	S	.	.	H	α-helix	trans	-85.5	-36.3	171.7	171.4	58.7	0	0	0	111.5	C292 C295 F299 L304 L305 K306 T310 I311 H312	C292-H308 PolarHBondContact SG-NE2 3.2Å; C295-H308 VanDerWaalsContact SG-CE1 3.59Å; C295-H308 PolarHBondContact SG-NE2 3.27Å; F299-H308 HydrophobicContact CE1-CB 3.87Å; F299-H308 HydrophobicContact CE2-CB 3.95Å; F299-H308 AromaticContact CE2-CD2 3.3Å; F299-H308 WeakPolarHBondContact CE2-CD2 3.44Å; F299-H308 AromaticContact CE2-CG 3.67Å; F299-H308 HydrophobicContact CZ-CB 3.45Å; F299-H308 VanDerWaalsContact CZ-CB 3.45Å; F299-H308 AromaticContact CZ-CD2 3.4Å; F299-H308 WeakPolarHBondContact CZ-CD2 3.43Å; F299-H308 AromaticContact CZ-CG 3.26Å; F299-H308 AromaticContact CZ-ND1 3.87Å; L304-H308 WeakPolarHBondContact O-CB 3.41Å; L304-H308 PolarHBondContact O-N 3.25Å; L305-H308 CarbonylContact O-C 3.56Å; L305-H308 WeakPolarHBondContact O-CA 3.13Å; L305-H308 WeakPolarHBondContact O-CB 3.39Å; L305-H308 PolarHBondContact O-N 3.1Å; K306-H308 VanDerWaalsContact C-N 3.26Å; K306-H308 PolarHBondContact O-N 3.34Å; H308-T310 VanDerWaalsContact C-N 3.25Å; H308-T310 PolarHBondContact O-N 3.42Å; H308-I311 WeakPolarHBondContact O-CB 3.45Å; H308-I311 WeakPolarHBondContact O-CG1 3.42Å; H308-I311 PolarHBondContact O-N 2.79Å; H308-H312 AromaticContact CD2-NE2 3.88Å; H308-H312 AromaticContact CE1-NE2 3.32Å; H308-H312 PolarHBondContact CE1-NE2 2.74Å; H308-H312 VanDerWaalsContact CE1-NE2 3.32Å; H308-H312 AromaticContact NE2-CD2 3.86Å; H308-H312 AromaticContact NE2-NE2 3.05Å; H308-H312 PolarHBondContact NE2-NE2 2.66Å
309	M	77	Confident	76.1	Confident	44 Å²	44	86 Å²	86	22%	0.217	43%	0.431	C	S	.	.	H	α-helix	trans	-62.7	-28.3	176.7	-68.5	-51.3	-159.4	0	0	113.1	C292 S293 L305 K306 I311 H312 T313	C292-M309 HydrophobicContact CB-CE 4.4Å; S293-M309 WeakPolarHBondContact OG-CE 3.45Å; L305-M309 HydrophobicContact CD1-CE 3.97Å; L305-M309 HydrophobicContact CD1-CG 4.37Å; L305-M309 HydrophobicContact CD1-SD 4.47Å; L305-M309 HydrophobicContact CG-CE 4.5Å; L305-M309 HydrophobicContact CG-CG 4.45Å; L305-M309 WeakPolarHBondContact O-CG 3.41Å; L305-M309 PolarHBondContact O-N 2.83Å; K306-M309 PolarHBondContact O-N 2.9Å; M309-I311 PolarHBondContact O-N 3.22Å; M309-I311 VanDerWaalsContact O-N 3.08Å; M309-H312 PolarHBondContact O-N 3.01Å; M309-T313 PolarHBondContact O-N 3.45Å; M309-T313 PolarHBondContact O-OG1 3.4Å
310	T	78.8	Confident	76	Confident	22 Å²	22	84.2 Å²	84.2	14%	0.135	42%	0.423	C	S	.	.	H	α-helix	trans	-63	-11.6	171.1	62.4	0	0	0	0	114.3	K306 R307 H308 K314	K306-T310 PolarHBondContact O-N 2.97Å; R307-T310 PolarHBondContact O-OG1 3.04Å; R307-T310 VanDerWaalsContact O-OG1 3.1Å; H308-T310 VanDerWaalsContact C-N 3.25Å; H308-T310 PolarHBondContact O-N 3.42Å; T310-K314 PolarHBondContact O-N 3.13Å
311	I	73.2	Confident	75.8	Confident	110 Å²	110	84.4 Å²	84.4	56%	0.564	42%	0.424	S	S	*	.	H	α-helix	trans	-78.4	-38.2	170.2	-54.2	178.7	0	0	0	110.5	H308 M309	H308-I311 WeakPolarHBondContact O-CB 3.45Å; H308-I311 WeakPolarHBondContact O-CG1 3.42Å; H308-I311 PolarHBondContact O-N 2.79Å; M309-I311 PolarHBondContact O-N 3.22Å; M309-I311 VanDerWaalsContact O-N 3.08Å
312	H	78.3	Confident	75.4	Confident	62 Å²	62	83.4 Å²	83.4	29%	0.287	42%	0.424	S	S	.	.	H	α-helix	trans	-81.6	-48.7	-179.5	-58.4	-58.6	0	0	0	111.7	C292 V294 H308 M309 K314	C292-H312 PolarHBondContact SG-NE2 3.13Å; V294-H312 HydrophobicContact CG1-CB 4.42Å; V294-H312 HydrophobicContact CG2-CB 4.36Å; H308-H312 AromaticContact CD2-NE2 3.88Å; H308-H312 AromaticContact CE1-NE2 3.32Å; H308-H312 PolarHBondContact CE1-NE2 2.74Å; H308-H312 VanDerWaalsContact CE1-NE2 3.32Å; H308-H312 AromaticContact NE2-CD2 3.86Å; H308-H312 AromaticContact NE2-NE2 3.05Å; H308-H312 PolarHBondContact NE2-NE2 2.66Å; M309-H312 PolarHBondContact O-N 3.01Å; H312-K314 PolarHBondContact O-N 3.11Å
313	T	71.5	Confident	75.2	Confident	92 Å²	92	82.7 Å²	82.7	56%	0.564	42%	0.421	S	S	*	.	S	Bend	trans	-74.5	-4.1	179.2	66.4	0	0	0	0	113.7	M309 N315	M309-T313 PolarHBondContact O-N 3.45Å; M309-T313 PolarHBondContact O-OG1 3.4Å; T313-N315 PolarHBondContact O-N 3.38Å
314	K	61.6	Low	75	Confident	171 Å²	171	85 Å²	85	74%	0.743	42%	0.423	S	S	*	.			trans	53	8.6	-172.7	-59	171.9	-176.1	165.1	0	114.9	T310 H312 K316	T310-K314 PolarHBondContact O-N 3.13Å; H312-K314 PolarHBondContact O-N 3.11Å; K314-K316 PolarHBondContact O-N 3.12Å; K314-K316 VanDerWaalsContact O-N 3.15Å
315	N	68.9	Low	74.6	Confident	90 Å²	90	83.3 Å²	83.3	48%	0.481	42%	0.418	S	S	.	.			trans	-65.8	115	-170.3	-173.7	-27	0	0	0	111.6	T313 S317	T313-N315 PolarHBondContact O-N 3.38Å; N315-S317 PolarHBondContact OD1-N 2.89Å
316	K	71.5	Confident	74.2	Confident	116 Å²	116	88.8 Å²	88.8	50%	0.504	44%	0.436	S	S	.	.			trans	-99.3	72.2	178.4	-59.8	168.2	-178.2	174.6	0	110.2	K314 Y318 R326 F327 T328	K314-K316 PolarHBondContact O-N 3.12Å; K314-K316 VanDerWaalsContact O-N 3.15Å; K316-Y318 PolarHBondContact O-N 3.31Å; K316-Y318 VanDerWaalsContact O-N 3.14Å; K316-R326 HydrophobicContact CB-CB 3.57Å; K316-R326 HydrophobicContact CD-CB 3.84Å; K316-R326 WeakPolarHBondContact CD-O 3.28Å; K316-R326 HydrophobicContact CG-CB 4.34Å; K316-F327 CarbonylContact C-O 3.55Å; K316-F327 VanDerWaalsContact CA-O 3.29Å; K316-F327 WeakPolarHBondContact CA-O 3.28Å; K316-T328 HydrophobicContact CG-CG2 4.15Å
317	S	75.2	Confident	74.2	Confident	66 Å²	66	83 Å²	83	46%	0.462	41%	0.411	S	S	.	.			trans	-76.9	14	-173.2	70.5	0	0	0	0	115.9	N315 F327	N315-S317 PolarHBondContact OD1-N 2.89Å; S317-F327 PolarHBondContact N-O 3.25Å
318	Y	74.9	Confident	74.3	Confident	91 Å²	91	79.1 Å²	79.1	36%	0.357	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-135	100.4	178.6	-61.5	-75.3	0	0	0	110.1	K316 R326 F327 Q329 K330	K316-Y318 PolarHBondContact O-N 3.31Å; K316-Y318 VanDerWaalsContact O-N 3.14Å; Y318-R326 CarbonylContact O-C 3.54Å; Y318-F327 PolarHBondContact N-O 2.67Å; Y318-F327 PolarHBondContact O-N 3.48Å; Y318-Q329 VanDerWaalsContact CD2-C 3.42Å; Y318-K330 HydrophobicContact CD1-CB 3.95Å; Y318-K330 HydrophobicContact CD1-CG 4.23Å; Y318-K330 VanDerWaalsContact CD2-N 3.31Å; Y318-K330 HydrophobicContact CE1-CB 3.69Å; Y318-K330 HydrophobicContact CE1-CD 4.18Å; Y318-K330 HydrophobicContact CE1-CG 4.1Å; Y318-K330 HydrophobicContact CE2-CB 4.28Å; Y318-K330 HydrophobicContact CG-CB 4.36Å
319	E	73.6	Confident	74	Confident	78 Å²	78	80.1 Å²	80.1	36%	0.364	41%	0.407	S	S	.	.			trans	-83.9	157.9	175.8	-162.7	153.5	124.4	0	0	112	H324 R326	E319-H324 HydrophobicContact CG-CB 4.44Å; E319-H324 IonicContact OE1-CE1 3.62Å; E319-H324 IonicContact OE1-CG 3.31Å; E319-H324 IonicContact OE1-ND1 2.9Å; E319-H324 PolarHBondContact OE1-ND1 3.3Å; E319-R326 HydrophobicContact CB-CG 4.1Å; E319-R326 HydrophobicContact CG-CG 3.79Å; E319-R326 WeakPolarHBondContact OE2-CD 3.44Å; E319-R326 WeakPolarHBondContact OE2-CG 3.46Å; E319-R326 IonicContact OE2-CZ 2.64Å; E319-R326 VanDerWaalsContact OE2-CZ 3.3Å; E319-R326 IonicContact OE2-NE 2.74Å; E319-R326 PolarHBondContact OE2-NE 2.16Å; E319-R326 IonicContact OE2-NH1 3.87Å; E319-R326 PolarHBondContact OE2-NH1 3.26Å
320	C	76.8	Confident	73.9	Confident	1 Å²	1	84.6 Å²	84.6	1%	0.007	43%	0.425	C	S	.	.			trans	-102.9	112.1	169.1	-179.7	0	0	0	0	109.9	L322 C323 H324 A325 F327 H336 H340	C320-L322 PolarHBondContact O-N 3.14Å; C320-C323 PolarHBondContact O-N 2.82Å; C320-C323 VanDerWaalsContact O-N 3.09Å; C320-H324 WeakPolarHBondContact O-CA 3.49Å; C320-H324 PolarHBondContact O-N 2.79Å; C320-A325 HydrophobicContact CB-CB 4.32Å; C320-A325 PolarHBondContact N-O 3.08Å; C320-F327 HydrophobicContact CB-CE2 4.31Å; C320-H336 VanDerWaalsContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 PolarHBondContact SG-CD2 3.27Å; C320-H336 PolarHBondContact SG-NE2 2.89Å; C320-H336 VanDerWaalsContact SG-NE2 3.38Å; C320-H340 VanDerWaalsContact SG-CD2 3.58Å; C320-H340 PolarHBondContact SG-NE2 2.84Å
321	V	71.9	Confident	73.5	Confident	134 Å²	134	86.9 Å²	86.9	81%	0.812	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-31.9	178.6	-171.8	0	0	0	0	112.9
322	L	72.2	Confident	73.5	Confident	104 Å²	104	83.5 Å²	83.5	55%	0.545	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	-175.2	-57.8	175.2	0	0	0	115.7	C320 H340	C320-L322 PolarHBondContact O-N 3.14Å; L322-H340 HydrophobicContact CB-CB 4.45Å; L322-H340 HydrophobicContact CD1-CB 3.59Å
323	C	77.7	Confident	73.5	Confident	60 Å²	60	81 Å²	81	41%	0.405	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-167.8	18.8	175.6	75.2	0	0	0	0	115.1	C320 A325 H336 H340	C320-C323 PolarHBondContact O-N 2.82Å; C320-C323 VanDerWaalsContact O-N 3.09Å; C323-A325 PolarHBondContact O-N 2.93Å; C323-A325 VanDerWaalsContact SG-CB 3.58Å; C323-H336 VanDerWaalsContact SG-CE1 3.54Å; C323-H336 PolarHBondContact SG-NE2 3.08Å; C323-H340 VanDerWaalsContact SG-CE1 3.54Å; C323-H340 PolarHBondContact SG-NE2 3.01Å
324	H	74.8	Confident	73.6	Confident	128 Å²	128	83.7 Å²	83.7	59%	0.593	42%	0.422	S	S	*	.			trans	53.3	18	-178.8	-54.7	-76	0	0	0	116.4	E319 C320 R326	E319-H324 HydrophobicContact CG-CB 4.44Å; E319-H324 IonicContact OE1-CE1 3.62Å; E319-H324 IonicContact OE1-CG 3.31Å; E319-H324 IonicContact OE1-ND1 2.9Å; E319-H324 PolarHBondContact OE1-ND1 3.3Å; C320-H324 WeakPolarHBondContact O-CA 3.49Å; C320-H324 PolarHBondContact O-N 2.79Å; H324-R326 PolarHBondContact O-N 2.84Å
325	A	71.9	Confident	73.9	Confident	30 Å²	30	78.8 Å²	78.8	25%	0.248	41%	0.407	C	S	.	.			trans	-70.3	115	176.9	0	0	0	0	0	110.5	C320 C323 F327	C320-A325 HydrophobicContact CB-CB 4.32Å; C320-A325 PolarHBondContact N-O 3.08Å; C323-A325 PolarHBondContact O-N 2.93Å; C323-A325 VanDerWaalsContact SG-CB 3.58Å; A325-F327 HydrophobicContact CB-CE2 3.78Å; A325-F327 HydrophobicContact CB-CZ 3.93Å; A325-F327 WeakPolarHBondContact O-CD2 3.11Å; A325-F327 WeakPolarHBondContact O-CE2 3.38Å
326	R	75.9	Confident	74.2	Confident	147 Å²	147	75.9 Å²	75.9	56%	0.555	39%	0.39	S	S	*	.			trans	-92.8	134.5	-177	-60	176.3	81	124.2	-17.8	112.9	K316 Y318 E319 H324	K316-R326 HydrophobicContact CB-CB 3.57Å; K316-R326 HydrophobicContact CD-CB 3.84Å; K316-R326 WeakPolarHBondContact CD-O 3.28Å; K316-R326 HydrophobicContact CG-CB 4.34Å; Y318-R326 CarbonylContact O-C 3.54Å; E319-R326 HydrophobicContact CB-CG 4.1Å; E319-R326 HydrophobicContact CG-CG 3.79Å; E319-R326 WeakPolarHBondContact OE2-CD 3.44Å; E319-R326 WeakPolarHBondContact OE2-CG 3.46Å; E319-R326 IonicContact OE2-CZ 2.64Å; E319-R326 VanDerWaalsContact OE2-CZ 3.3Å; E319-R326 IonicContact OE2-NE 2.74Å; E319-R326 PolarHBondContact OE2-NE 2.16Å; E319-R326 IonicContact OE2-NH1 3.87Å; E319-R326 PolarHBondContact OE2-NH1 3.26Å; H324-R326 PolarHBondContact O-N 2.84Å
327	F	77.9	Confident	74.3	Confident	47 Å²	47	72.8 Å²	72.8	21%	0.206	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-124.8	152.2	-175.7	-60.4	-83.4	0	0	0	112.5	K316 S317 Y318 C320 A325 A333 H336	K316-F327 CarbonylContact C-O 3.55Å; K316-F327 VanDerWaalsContact CA-O 3.29Å; K316-F327 WeakPolarHBondContact CA-O 3.28Å; S317-F327 PolarHBondContact N-O 3.25Å; Y318-F327 PolarHBondContact N-O 2.67Å; Y318-F327 PolarHBondContact O-N 3.48Å; C320-F327 HydrophobicContact CB-CE2 4.31Å; A325-F327 HydrophobicContact CB-CE2 3.78Å; A325-F327 HydrophobicContact CB-CZ 3.93Å; A325-F327 WeakPolarHBondContact O-CD2 3.11Å; A325-F327 WeakPolarHBondContact O-CE2 3.38Å; F327-A333 HydrophobicContact CB-CB 4.44Å; F327-A333 HydrophobicContact CD2-CB 3.87Å; F327-A333 HydrophobicContact CG-CB 4.34Å; F327-H336 HydrophobicContact CE1-CB 4.12Å; F327-H336 HydrophobicContact CE2-CB 3.85Å; F327-H336 AromaticContact CE2-CD2 3.44Å; F327-H336 VanDerWaalsContact CE2-CD2 3.44Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.4Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.58Å; F327-H336 AromaticContact CZ-CG 3.29Å; F327-H336 AromaticContact CZ-ND1 3.75Å
328	T	75.6	Confident	73.9	Confident	48 Å²	48	71 Å²	71	29%	0.294	37%	0.366	S	S	.	.	S	Bend	trans	-84.4	-4.7	176.6	58.4	0	0	0	0	114.2	K316	K316-T328 HydrophobicContact CG-CG2 4.15Å
329	Q	74.2	Confident	73.5	Confident	42 Å²	42	70.8 Å²	70.8	20%	0.196	37%	0.37	C	S	.	.	S	Bend	trans	-149.3	133.4	-176	-57.5	-176.8	30.5	0	0	112.2	R307 Y318 S331 S332 A333	R307-Q329 HydrophobicContact CG-CG 4.04Å; Y318-Q329 VanDerWaalsContact CD2-C 3.42Å; Q329-S331 PolarHBondContact O-N 3.07Å; Q329-S331 VanDerWaalsContact O-N 3.13Å; Q329-S332 WeakPolarHBondContact O-CB 3.39Å; Q329-S332 PolarHBondContact O-N 2.88Å; Q329-A333 PolarHBondContact O-N 2.33Å
330	K	75.3	Confident	73.2	Confident	137 Å²	137	69.1 Å²	69.1	60%	0.596	36%	0.362	S	S	*	.	H	α-helix	trans	-54.3	-32.1	178.4	-165.2	167.2	-175	168.3	0	113.5	Y318 K334	Y318-K330 HydrophobicContact CD1-CB 3.95Å; Y318-K330 HydrophobicContact CD1-CG 4.23Å; Y318-K330 VanDerWaalsContact CD2-N 3.31Å; Y318-K330 HydrophobicContact CE1-CB 3.69Å; Y318-K330 HydrophobicContact CE1-CD 4.18Å; Y318-K330 HydrophobicContact CE1-CG 4.1Å; Y318-K330 HydrophobicContact CE2-CB 4.28Å; Y318-K330 HydrophobicContact CG-CB 4.36Å; K330-K334 PolarHBondContact O-N 2.83Å
331	S	70.3	Confident	72.6	Confident	70 Å²	70	71.4 Å²	71.4	49%	0.49	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-38.1	174.5	53.3	0	0	0	0	113.1	Q329 K334 T335	Q329-S331 PolarHBondContact O-N 3.07Å; Q329-S331 VanDerWaalsContact O-N 3.13Å; S331-K334 PolarHBondContact O-N 2.76Å; S331-T335 PolarHBondContact O-N 3.14Å; S331-T335 PolarHBondContact O-OG1 3.03Å
332	S	73.9	Confident	71.4	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-69.3	-42.6	179.1	-57.3	0	0	0	0	110.8	Q329 T335 H336	Q329-S332 WeakPolarHBondContact O-CB 3.39Å; Q329-S332 PolarHBondContact O-N 2.88Å; S332-T335 WeakPolarHBondContact CA-OG1 3.45Å; S332-T335 PolarHBondContact O-N 2.68Å; S332-T335 PolarHBondContact O-OG1 3.14Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.36Å
333	A	77.5	Confident	70	Confident	11 Å²	11	65.1 Å²	65.1	9%	0.091	35%	0.349	C	S	.	.	H	α-helix	trans	-57.9	-48.9	171.8	0	0	0	0	0	111.4	F327 Q329 T335 H336 V337	F327-A333 HydrophobicContact CB-CB 4.44Å; F327-A333 HydrophobicContact CD2-CB 3.87Å; F327-A333 HydrophobicContact CG-CB 4.34Å; Q329-A333 PolarHBondContact O-N 2.33Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 3.14Å; A333-H336 CarbonylContact O-C 3.58Å; A333-H336 WeakPolarHBondContact O-CA 3.43Å; A333-H336 PolarHBondContact O-N 2.94Å; A333-V337 WeakPolarHBondContact O-CG2 3.44Å; A333-V337 PolarHBondContact O-N 3.29Å
334	K	73.4	Confident	68.4	Low	148 Å²	148	69 Å²	69	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-57.4	-41.4	174.2	-76.8	-158.7	172.5	-157.8	0	113.3	K330 S331 H336 L338	K330-K334 PolarHBondContact O-N 2.83Å; S331-K334 PolarHBondContact O-N 2.76Å; K334-H336 PolarHBondContact O-N 3.11Å; K334-L338 PolarHBondContact O-N 3.49Å
335	T	69.2	Low	66.5	Low	68 Å²	68	66.8 Å²	66.8	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-71.1	-15.1	175.9	52.1	0	0	0	0	114.5	S331 S332 A333 L469	S331-T335 PolarHBondContact O-N 3.14Å; S331-T335 PolarHBondContact O-OG1 3.03Å; S332-T335 WeakPolarHBondContact CA-OG1 3.45Å; S332-T335 PolarHBondContact O-N 2.68Å; S332-T335 PolarHBondContact O-OG1 3.14Å; A333-T335 VanDerWaalsContact C-N 3.34Å; A333-T335 PolarHBondContact O-N 3.14Å; T335-L469 HydrophobicContact CG2-CD2 3.81Å
336	H	74.5	Confident	64.5	Low	29 Å²	29	71.7 Å²	71.7	13%	0.134	38%	0.379	C	S	.	.	H	α-helix	trans	-93.6	-38.2	175.8	164.6	80.6	0	0	0	112.1	C320 C323 F327 S332 A333 K334 L338 L339 H340	C320-H336 VanDerWaalsContact CB-CD2 3.47Å; C320-H336 WeakPolarHBondContact CB-CD2 3.47Å; C320-H336 PolarHBondContact SG-CD2 3.27Å; C320-H336 PolarHBondContact SG-NE2 2.89Å; C320-H336 VanDerWaalsContact SG-NE2 3.38Å; C323-H336 VanDerWaalsContact SG-CE1 3.54Å; C323-H336 PolarHBondContact SG-NE2 3.08Å; F327-H336 HydrophobicContact CE1-CB 4.12Å; F327-H336 HydrophobicContact CE2-CB 3.85Å; F327-H336 AromaticContact CE2-CD2 3.44Å; F327-H336 VanDerWaalsContact CE2-CD2 3.44Å; F327-H336 WeakPolarHBondContact CE2-CD2 3.4Å; F327-H336 AromaticContact CE2-CG 3.64Å; F327-H336 HydrophobicContact CZ-CB 3.44Å; F327-H336 VanDerWaalsContact CZ-CB 3.44Å; F327-H336 AromaticContact CZ-CD2 3.58Å; F327-H336 AromaticContact CZ-CG 3.29Å; F327-H336 AromaticContact CZ-ND1 3.75Å; S332-H336 WeakPolarHBondContact O-CB 3.36Å; S332-H336 PolarHBondContact O-N 3.36Å; A333-H336 CarbonylContact O-C 3.58Å; A333-H336 WeakPolarHBondContact O-CA 3.43Å; A333-H336 PolarHBondContact O-N 2.94Å; K334-H336 PolarHBondContact O-N 3.11Å; H336-L338 PolarHBondContact O-N 3.09Å; H336-L339 WeakPolarHBondContact O-CA 3.41Å; H336-L339 WeakPolarHBondContact O-CB 3.31Å; H336-L339 PolarHBondContact O-N 3.46Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-CE1 3.94Å; H336-H340 AromaticContact CE1-NE2 3.43Å; H336-H340 PolarHBondContact CE1-NE2 3.39Å; H336-H340 AromaticContact NE2-CD2 3.85Å; H336-H340 AromaticContact NE2-CE1 3.92Å; H336-H340 AromaticContact NE2-NE2 3.03Å; H336-H340 PolarHBondContact NE2-NE2 3.36Å
337	V	73.3	Confident	62.2	Low	50 Å²	50	72.9 Å²	72.9	30%	0.303	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-35.1	169.3	172.1	0	0	0	0	111.1	A333 L339 H340 I341	A333-V337 WeakPolarHBondContact O-CG2 3.44Å; A333-V337 PolarHBondContact O-N 3.29Å; V337-L339 PolarHBondContact O-N 3.44Å; V337-L339 VanDerWaalsContact O-N 3.14Å; V337-H340 PolarHBondContact O-N 2.82Å; V337-H340 VanDerWaalsContact O-N 3.15Å; V337-I341 HydrophobicContact CG1-CD1 3.88Å; V337-I341 HydrophobicContact CG1-CG1 4.41Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.17Å
338	L	67.1	Low	59.7	Low	28 Å²	28	75.2 Å²	75.2	15%	0.147	41%	0.41	C	S	.	.	H	α-helix	trans	-55.4	-24.4	169.5	-99.9	166.6	0	0	0	114.8	K334 H336 S342 P455 Q468	K334-L338 PolarHBondContact O-N 3.49Å; H336-L338 PolarHBondContact O-N 3.09Å; L338-S342 PolarHBondContact O-N 3.24Å; L338-S342 PolarHBondContact O-OG 2.96Å; L338-P455 HydrophobicContact CD2-CB 3.87Å; L338-P455 HydrophobicContact CD2-CG 3.78Å; L338-P455 HydrophobicContact CG-CB 4.23Å; L338-P455 HydrophobicContact CG-CG 4.42Å; L338-Q468 HydrophobicContact CD2-CB 4.39Å; L338-Q468 HydrophobicContact CD2-CG 4.34Å; L338-Q468 PolarHBondContact O-NE2 3.14Å
339	L	66.1	Low	57.5	Low	88 Å²	88	80 Å²	80	46%	0.461	43%	0.434	S	S	.	.	H	α-helix	trans	-77.3	-42.4	176.4	-58.6	172	0	0	0	111.3	H336 V337 S342 A343	H336-L339 WeakPolarHBondContact O-CA 3.41Å; H336-L339 WeakPolarHBondContact O-CB 3.31Å; H336-L339 PolarHBondContact O-N 3.46Å; V337-L339 PolarHBondContact O-N 3.44Å; V337-L339 VanDerWaalsContact O-N 3.14Å; L339-S342 WeakPolarHBondContact CA-OG 3.42Å; L339-S342 CarbonylContact O-C 3.36Å; L339-S342 PolarHBondContact O-N 3.24Å; L339-S342 VanDerWaalsContact O-N 3.11Å; L339-S342 PolarHBondContact O-OG 2.98Å; L339-A343 PolarHBondContact O-N 3Å
340	H	68.1	Low	55.2	Low	42 Å²	42	85.6 Å²	85.6	19%	0.194	46%	0.455	C	S	.	.	H	α-helix	trans	-63.5	-45	175	-60	-51.7	0	0	0	111.3	C320 L322 C323 H336 V337 S342 A343 L344	C320-H340 VanDerWaalsContact SG-CD2 3.58Å; C320-H340 PolarHBondContact SG-NE2 2.84Å; L322-H340 HydrophobicContact CB-CB 4.45Å; L322-H340 HydrophobicContact CD1-CB 3.59Å; C323-H340 VanDerWaalsContact SG-CE1 3.54Å; C323-H340 PolarHBondContact SG-NE2 3.01Å; H336-H340 AromaticContact CD2-NE2 3.83Å; H336-H340 AromaticContact CE1-CE1 3.94Å; H336-H340 AromaticContact CE1-NE2 3.43Å; H336-H340 PolarHBondContact CE1-NE2 3.39Å; H336-H340 AromaticContact NE2-CD2 3.85Å; H336-H340 AromaticContact NE2-CE1 3.92Å; H336-H340 AromaticContact NE2-NE2 3.03Å; H336-H340 PolarHBondContact NE2-NE2 3.36Å; V337-H340 PolarHBondContact O-N 2.82Å; V337-H340 VanDerWaalsContact O-N 3.15Å; H340-S342 PolarHBondContact O-N 2.87Å; H340-A343 WeakPolarHBondContact O-CA 3.29Å; H340-A343 WeakPolarHBondContact O-CB 3.49Å; H340-A343 PolarHBondContact O-N 3.5Å; H340-L344 PolarHBondContact O-N 3.44Å; H340-L344 VanDerWaalsContact O-N 3.08Å
341	I	62.7	Low	53.1	Low	49 Å²	49	86.8 Å²	86.8	25%	0.251	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-29.4	174.2	-64.3	171.1	0	0	0	111.2	V337 N345 P455	V337-I341 HydrophobicContact CG1-CD1 3.88Å; V337-I341 HydrophobicContact CG1-CG1 4.41Å; V337-I341 WeakPolarHBondContact O-CG1 3.49Å; V337-I341 PolarHBondContact O-N 3.17Å; I341-N345 WeakPolarHBondContact O-CB 3.08Å; I341-N345 PolarHBondContact O-N 2.92Å; I341-N345 PolarHBondContact O-ND2 3.13Å; I341-P455 HydrophobicContact CD1-CG 3.84Å; I341-P455 HydrophobicContact CG2-CG 4.24Å
342	S	47.2	Very low	50.9	Low	37 Å²	37	88.2 Å²	88.2	26%	0.259	47%	0.472	S	S	.	.	H	α-helix	trans	-83.6	-14.1	172.4	69.1	0	0	0	0	115.6	L338 L339 H340 L346 Q468	L338-S342 PolarHBondContact O-N 3.24Å; L338-S342 PolarHBondContact O-OG 2.96Å; L339-S342 WeakPolarHBondContact CA-OG 3.42Å; L339-S342 CarbonylContact O-C 3.36Å; L339-S342 PolarHBondContact O-N 3.24Å; L339-S342 VanDerWaalsContact O-N 3.11Å; L339-S342 PolarHBondContact O-OG 2.98Å; H340-S342 PolarHBondContact O-N 2.87Å; S342-L346 WeakPolarHBondContact O-CD1 2.99Å; S342-L346 WeakPolarHBondContact O-CG 3.38Å; S342-Q468 PolarHBondContact OG-NE2 3.39Å
343	A	44.2	Very low	48.7	Very low	69 Å²	69	91.6 Å²	91.6	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-77.1	-39.2	169	0	0	0	0	0	110.2	L339 H340	L339-A343 PolarHBondContact O-N 3Å; H340-A343 WeakPolarHBondContact O-CA 3.29Å; H340-A343 WeakPolarHBondContact O-CB 3.49Å; H340-A343 PolarHBondContact O-N 3.5Å
344	L	42.4	Very low	46.4	Very low	141 Å²	141	99.1 Å²	99.1	74%	0.738	52%	0.524	S	S	*	.	H	α-helix	trans	-68.8	-40.2	173.7	-63.9	167.5	0	0	0	112.2	H340 L346	H340-L344 PolarHBondContact O-N 3.44Å; H340-L344 VanDerWaalsContact O-N 3.08Å; L344-L346 VanDerWaalsContact C-N 3.26Å; L344-L346 PolarHBondContact O-N 2.81Å; L344-L346 VanDerWaalsContact O-N 3.11Å
345	N	35.5	Very low	44.2	Very low	83 Å²	83	100 Å²	100	44%	0.444	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	46.4	179.6	-73.9	-85	0	0	0	113.7	I341 Y454	I341-N345 WeakPolarHBondContact O-CB 3.08Å; I341-N345 PolarHBondContact O-N 2.92Å; I341-N345 PolarHBondContact O-ND2 3.13Å; N345-Y454 PolarHBondContact OD1-OH 3.38Å
346	L	29.8	Very low	42.3	Very low	132 Å²	132	100.7 Å²	100.7	69%	0.691	56%	0.556	S	S	*	*			trans	-114.6	20.3	175.7	-97.5	168.8	0	0	0	114.2	S342 L344	S342-L346 WeakPolarHBondContact O-CD1 2.99Å; S342-L346 WeakPolarHBondContact O-CG 3.38Å; L344-L346 VanDerWaalsContact C-N 3.26Å; L344-L346 PolarHBondContact O-N 2.81Å; L344-L346 VanDerWaalsContact O-N 3.11Å
347	H	27.9	Very low	40.2	Very low	172 Å²	172	105.6 Å²	105.6	80%	0.796	59%	0.589	S	S	*	*			trans	-125.4	86.9	160.3	-102.9	-102.6	0	0	0	110.9
348	P	26	Very low	37.9	Very low	96 Å²	96	110.2 Å²	110.2	62%	0.623	61%	0.612	S	S	*	*			trans	-112.2	156.9	136.8	35.3	-30.8	0	0	0	109.4
349	D	28.6	Very low	36	Very low	150 Å²	150	114 Å²	114	80%	0.802	64%	0.64	S	S	*	*	S	Bend	trans	68.8	87.6	-170	-40.6	-28	0	0	0	112.7
350	Y	27	Very low	34.3	Very low	159 Å²	159	115.2 Å²	115.2	62%	0.624	66%	0.656	S	S	*	*			trans	178.1	136	133	-109.2	-124.6	0	0	0	110.3
351	H	29.5	Very low	32.2	Very low	161 Å²	161	121 Å²	121	75%	0.745	69%	0.688	S	S	*	*			trans	53.4	110.9	172.5	-66.7	-73.2	0	0	0	122.4
352	S	25.6	Very low	30.6	Very low	100 Å²	100	124.9 Å²	124.9	70%	0.699	72%	0.716	S	S	*	*				-75.7	165.8	129.2	-52	0	0	0	0	110.6
353	T	27.5	Very low	29.5	Very low	111 Å²	111	130.1 Å²	130.1	68%	0.681	74%	0.74	S	S	*	*	S	Bend	trans	61.6	111.8	163.9	55.9	0	0	0	0	119.4
354	E	29.1	Very low	28.5	Very low	168 Å²	168	135 Å²	135	79%	0.785	76%	0.756	S	S	*	*			trans	80.8	104	134.9	-71.1	155.6	-132.8	0	0	122
355	N	27.2	Very low	27.7	Very low	168 Å²	168	134.5 Å²	134.5	90%	0.898	76%	0.759	S	S	*	*				35.7	113.1	126	-56.4	-2.1	0	0	0	119.7
356	G	29.8	Very low	27.2	Very low	81 Å²	81	136.3 Å²	136.3	84%	0.835	77%	0.772	S	S	*	*			trans	-172.4	134.7	164.4	0	0	0	0	0	110.5
357	T	28.8	Very low	27	Very low	133 Å²	133	136.8 Å²	136.8	82%	0.816	78%	0.775	S	S	*	*			trans	-80.1	157.3	-163.8	44.2	0	0	0	0	116.1
358	D	25.8	Very low	26.9	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	78%	0.776	S	S	*	*			trans	82.1	133.5	148.7	-66.5	-39.4	0	0	0	125.2
359	S	27.4	Very low	26.9	Very low	106 Å²	106	139.4 Å²	139.4	74%	0.741	78%	0.784	S	S	*	*			trans	91.5	95.6	146.7	74.1	0	0	0	0	121.2
360	S	29.3	Very low	26.8	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	78%	0.782	S	S	*	*			trans	75.8	96.1	143	71	0	0	0	0	120.7
361	L	24.7	Very low	26.6	Very low	162 Å²	162	138 Å²	138	85%	0.848	79%	0.79	S	S	*	*			trans	-121.7	126.4	152.9	-83.7	170.4	0	0	0	109.6	I363	L361-I363 PolarHBondContact O-N 2.79Å
362	P	28.4	Very low	26.4	Very low	132 Å²	132	137.6 Å²	137.6	86%	0.857	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.1	125.3	170.9	-18.5	32.8	0	0	0	111.7
363	I	25.2	Very low	26.4	Very low	147 Å²	147	138.7 Å²	138.7	75%	0.754	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.2	153.9	-176.4	-70.5	169.8	0	0	0	111.5	L361 T365	L361-I363 PolarHBondContact O-N 2.79Å; I363-T365 HydrophobicContact CG2-CG2 4.37Å
364	L	23	Very low	26.5	Very low	172 Å²	172	140.2 Å²	140.2	90%	0.901	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.2	121.5	165.4	-76.2	165	0	0	0	109.8
365	T	25.5	Very low	26.5	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	81%	0.807	S	S	*	*			trans	-117.1	136.7	167.4	47.7	0	0	0	0	111.2	I363	I363-T365 HydrophobicContact CG2-CG2 4.37Å
366	V	25.3	Very low	26.5	Very low	120 Å²	120	134.4 Å²	134.4	73%	0.727	80%	0.797	S	S	*	*			trans	-148.1	115.5	175	171.9	0	0	0	0	106.5
367	N	26.6	Very low	26.2	Very low	142 Å²	142	140.8 Å²	140.8	76%	0.759	80%	0.796	S	S	*	*			trans	63.5	127.8	172.2	-48.1	-2.1	0	0	0	117.5
368	N	25.6	Very low	26.2	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	80%	0.797	S	S	*	*				-175.8	-179.6	103.8	-98	16.5	0	0	0	111
369	E	25	Very low	26.4	Very low	170 Å²	170	140 Å²	140	79%	0.794	79%	0.792	S	S	*	*			trans	-98.1	161.7	-164.7	-62.1	147.7	129.4	0	0	114.2
370	S	25.7	Very low	26.4	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	79%	0.79	S	S	*	*			trans	68.4	145.6	149	61	0	0	0	0	122.4
371	Q	24.2	Very low	26.1	Very low	172 Å²	172	141.6 Å²	141.6	80%	0.804	79%	0.79	S	S	*	*			trans	70.9	101.5	156.7	-72.7	174.6	-22.6	0	0	120.8
372	D	24.9	Very low	26.2	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	78%	0.784	S	S	*	*				29.3	125.8	123.1	-48.7	-58.6	0	0	0	121.5
373	S	24.7	Very low	26.1	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	78%	0.776	S	S	*	*				-162.9	126	120.6	66.8	0	0	0	0	112.8
374	V	30.2	Very low	26.2	Very low	143 Å²	143	140.2 Å²	140.2	87%	0.867	78%	0.779	S	S	*	*			trans	-71.7	148.6	177.9	170.9	0	0	0	0	112.9
375	A	28.7	Very low	26.4	Very low	87 Å²	87	136.9 Å²	136.9	72%	0.719	77%	0.766	S	S	*	*			trans	-168.6	99.7	145.5	0	0	0	0	0	114.5
376	N	27.1	Very low	26.5	Very low	128 Å²	128	137 Å²	137	68%	0.684	76%	0.761	S	S	*	*	S	Bend	trans	-166.9	111.1	143.2	-113.5	-83.8	0	0	0	111.8
377	R	24.2	Very low	26.5	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.808	77%	0.765	S	S	*	*			trans	70.2	96.2	153.8	-55.8	168.8	-160.8	-110.9	-4.8	119.3
378	L	28.3	Very low	26.5	Very low	162 Å²	162	133.5 Å²	133.5	85%	0.848	77%	0.765	S	S	*	*				43.9	149.7	106.6	-73.6	150	0	0	0	120.2
379	P	30.6	Very low	26.7	Very low	103 Å²	103	133.5 Å²	133.5	67%	0.669	76%	0.764	S	S	*	*			cis	-140	180	0.6	37.6	-16.4	0	0	0	117.5
380	S	26.5	Very low	26.7	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	77%	0.766	S	S	*	*			trans	69.2	128.3	141.1	59.8	0	0	0	0	124.7
381	L	24.2	Very low	26.7	Very low	151 Å²	151	137.1 Å²	137.1	79%	0.791	77%	0.767	S	S	*	*			trans	102.5	130	137.6	-108.6	70.2	0	0	0	122.2
382	D	26.6	Very low	26.6	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	77%	0.767	S	S	*	*			trans	71.2	122.5	151.8	-62.7	-25.6	0	0	0	126.4
383	S	26.1	Very low	26.5	Very low	99 Å²	99	134.9 Å²	134.9	69%	0.692	76%	0.764	S	S	*	*			trans	82.6	101.6	140.2	70.1	0	0	0	0	120.5
384	H	27.8	Very low	26.5	Very low	178 Å²	178	137.3 Å²	137.3	82%	0.824	76%	0.76	S	S	*	*				67.5	142.6	123.2	-83.2	47.8	0	0	0	120.5
385	V	27.4	Very low	27	Very low	103 Å²	103	136.4 Å²	136.4	62%	0.624	76%	0.756	S	S	*	*			cis	-168.1	164.6	-21.9	89.1	0	0	0	0	108.5
386	N	26.8	Very low	26.9	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	75%	0.752	S	S	*	*			trans	64.3	100	161.3	-73.2	1.6	0	0	0	121.4
387	S	25.7	Very low	27	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	76%	0.758	S	S	*	*				52.5	144.2	106.9	73.2	0	0	0	0	121.4
388	G	25.4	Very low	27	Very low	75 Å²	75	135 Å²	135	77%	0.773	75%	0.753	S	S	*	*			trans	177.7	93.3	159.4	0	0	0	0	0	114.6
389	I	30.7	Very low	27.1	Very low	154 Å²	154	134.9 Å²	134.9	79%	0.79	75%	0.753	S	S	*	*			trans	-76.5	118.4	162.3	-61.2	161.4	0	0	0	108
390	Q	24.1	Very low	27	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	75%	0.75	S	S	*	*			trans	-177.4	138.3	148.5	-97.3	142.2	39.1	0	0	108
391	F	25.7	Very low	26.9	Very low	175 Å²	175	136.4 Å²	136.4	77%	0.768	75%	0.751	S	S	*	*				64.9	125.9	56	-89.5	-80.9	0	0	0	114
392	L	22.1	Very low	27	Very low	157 Å²	157	135.5 Å²	135.5	82%	0.822	75%	0.747	S	S	*	*			trans	68.4	155.3	171.5	-49.1	166.9	0	0	0	113.4
393	T	23.2	Very low	27	Very low	123 Å²	123	133.7 Å²	133.7	76%	0.755	74%	0.744	S	S	*	*			cis	-145.7	165	-0.8	-18.9	0	0	0	0	110.2
394	F	25.2	Very low	27	Very low	173 Å²	173	134.6 Å²	134.6	76%	0.759	75%	0.745	S	S	*	*			trans	-65.1	149.3	165.1	-66.9	-102.4	0	0	0	111.3
395	P	40.1	Very low	26.9	Very low	123 Å²	123	132.5 Å²	132.5	80%	0.799	75%	0.745	S	S	*	*			trans	-75.1	105.2	134.4	14.9	3.1	0	0	0	108.3
396	N	26.2	Very low	27.1	Very low	118 Å²	118	135.2 Å²	135.2	63%	0.631	76%	0.755	S	S	*	*			trans	-63.2	157	136.9	-63.2	-26.6	0	0	0	105.9
397	D	29.9	Very low	27.5	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	76%	0.759	S	S	*	*				-140.2	164	56.8	-77.3	-49	0	0	0	115.9
398	N	24.6	Very low	27.7	Very low	131 Å²	131	137.2 Å²	137.2	70%	0.701	76%	0.757	S	S	*	*			trans	-59.2	140.7	172.5	-44.3	-85.1	0	0	0	110.2
399	D	31.1	Very low	27.8	Very low	160 Å²	160	140.6 Å²	140.6	86%	0.856	76%	0.758	S	S	*	*				-145.4	156.2	106.3	-128.1	-30.4	0	0	0	113.4
400	T	27.2	Very low	27.6	Very low	98 Å²	98	139.3 Å²	139.3	60%	0.601	76%	0.762	S	S	*	*			trans	-102.3	166.6	-148.2	55	0	0	0	0	115.8
401	L	25.6	Very low	27.7	Very low	139 Å²	139	137.3 Å²	137.3	73%	0.728	76%	0.762	S	S	*	*			trans	86.3	108.2	154.4	-65.7	150.8	0	0	0	121.3
402	N	25.8	Very low	27.6	Very low	133 Å²	133	135.6 Å²	135.6	71%	0.711	77%	0.766	S	S	*	*			trans	76	133.4	135.9	-59.9	-20.2	0	0	0	121
403	C	25.2	Very low	27.8	Very low	97 Å²	97	135.8 Å²	135.8	66%	0.655	77%	0.767	S	S	*	*			cis	-156.1	121.9	-10.9	-122.4	0	0	0	0	113
404	T	26.7	Very low	27.8	Very low	118 Å²	118	138.8 Å²	138.8	72%	0.724	77%	0.772	S	S	*	*			trans	41.4	131.2	136.5	53.4	0	0	0	0	122.7
405	T	25.5	Very low	27.7	Very low	133 Å²	133	136.5 Å²	136.5	82%	0.816	78%	0.777	S	S	*	*			cis	-160.6	132.4	-22	-5.1	0	0	0	0	111.3
406	L	32.2	Very low	26.9	Very low	160 Å²	160	138.9 Å²	138.9	84%	0.838	78%	0.776	S	S	*	*			trans	-100.7	-177.6	153.6	-89.5	159.2	0	0	0	107.6
407	P	36.2	Very low	26.7	Very low	120 Å²	120	139.2 Å²	139.2	78%	0.779	78%	0.776	S	S	*	*			cis	-130.1	-106.3	-21.6	30.3	-7.2	0	0	0	112
408	H	29.1	Very low	26.5	Very low	167 Å²	167	138.1 Å²	138.1	77%	0.773	78%	0.777	S	S	*	*			trans	-107	166.4	-155.3	-114.8	-108.2	0	0	0	114.2
409	N	27.6	Very low	26.5	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	78%	0.784	S	S	*	*			trans	76.8	114.7	157.8	-61	-9.5	0	0	0	119.9
410	S	25.7	Very low	26.4	Very low	126 Å²	126	144.9 Å²	144.9	88%	0.881	78%	0.783	S	S	*	*			trans	-148.6	148.4	144.6	50.7	0	0	0	0	109.5
411	V	27.4	Very low	26.4	Very low	135 Å²	135	149 Å²	149	82%	0.818	79%	0.794	S	S	*	*			trans	-112.9	119.6	-170.9	173.7	0	0	0	0	110.5
412	V	23.7	Very low	26.7	Very low	140 Å²	140	146.3 Å²	146.3	85%	0.848	79%	0.792	S	S	*	*			trans	-142.2	129	158.8	-176.6	0	0	0	0	110.3
413	L	25	Very low	26.6	Very low	161 Å²	161	144.5 Å²	144.5	84%	0.843	80%	0.796	S	S	*	*			trans	-92.4	101.6	168.6	-84.6	160.6	0	0	0	109.8
414	Q	23	Very low	26.6	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	80%	0.801	S	S	*	*			trans	-179.3	118.1	149.2	-104.7	163	29	0	0	113.5
415	S	24.8	Very low	26.5	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	80%	0.799	S	S	*	*			trans	179.4	137.2	131	36.1	0	0	0	0	112
416	F	22.6	Very low	26.6	Very low	173 Å²	173	148.8 Å²	148.8	76%	0.759	80%	0.798	S	S	*	*			trans	-85	-176.4	168.1	-98	-127.3	0	0	0	110.5	L448	F416-L448 HydrophobicContact CE2-CD2 4.34Å; F416-L448 HydrophobicContact CZ-CD2 4.04Å
417	I	21.9	Very low	26.2	Very low	125 Å²	125	147.3 Å²	147.3	64%	0.641	79%	0.79	S	S	*	*			trans	95.4	118.8	157.3	-53.2	177.9	0	0	0	116.9	R419	I417-R419 HydrophobicContact CG2-CB 4.39Å; I417-R419 HydrophobicContact CG2-CG 3.73Å
418	P	26.4	Very low	25.7	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	79%	0.788	S	S	*	*			trans	-91.7	126	156.1	34	-27.5	0	0	0	111.1
419	R	22.9	Very low	25.5	Very low	224 Å²	224	151.1 Å²	151.1	85%	0.845	79%	0.792	S	S	*	*			trans	-134.1	150	169.8	-86.3	-175.9	179	-174.3	0.1	114	I417	I417-R419 HydrophobicContact CG2-CB 4.39Å; I417-R419 HydrophobicContact CG2-CG 3.73Å
420	Y	29.9	Very low	25.4	Very low	209 Å²	209	149.8 Å²	149.8	82%	0.82	78%	0.784	S	S	*	*			trans	-92.2	179.3	168.1	-96.8	-111.2	0	0	0	109.5
421	H	26.4	Very low	25.4	Very low	183 Å²	183	153.5 Å²	153.5	85%	0.847	78%	0.779	S	S	*	*			trans	76.5	151.8	167	-60.2	-83.7	0	0	0	115.8
422	A	32.5	Very low	25.4	Very low	83 Å²	83	152 Å²	152	69%	0.686	77%	0.77	S	S	*	*			cis	-166.1	167.9	-24.4	0	0	0	0	0	109.3
423	A	24.7	Very low	25.6	Very low	95 Å²	95	151.3 Å²	151.3	79%	0.785	76%	0.761	S	S	*	*			trans	-162.1	152.6	156.6	0	0	0	0	0	108.4
424	E	24.8	Very low	25.9	Very low	164 Å²	164	151.5 Å²	151.5	77%	0.766	76%	0.758	S	S	*	*			cis	-165.3	178.6	-44.1	-123.1	168.2	-164.8	0	0	106.9
425	N	24.3	Very low	26.3	Very low	129 Å²	129	146 Å²	146	69%	0.69	74%	0.744	S	S	*	*			trans	53.6	88.7	163.6	-57.3	-20.7	0	0	0	118.7
426	N	26.8	Very low	26.7	Very low	145 Å²	145	145.9 Å²	145.9	78%	0.775	73%	0.734	S	S	*	*				179.9	96.9	111.3	-86.1	-15.2	0	0	0	108.3
427	L	24.7	Very low	27.1	Very low	130 Å²	130	144.5 Å²	144.5	68%	0.681	73%	0.729	S	S	*	*				82.8	100.7	80.5	-81.1	173.6	0	0	0	113.4
428	N	24.5	Very low	27.3	Very low	137 Å²	137	144.3 Å²	144.3	73%	0.733	73%	0.729	S	S	*	*			trans	72.5	148	141.2	-60.5	-14.4	0	0	0	121.6
429	R	25.8	Very low	27.6	Very low	229 Å²	229	146.3 Å²	146.3	86%	0.864	73%	0.732	S	S	*	*			trans	85.3	131.2	158.9	-59.4	-157	173.4	176.3	-0.7	119.6
430	I	25.3	Very low	27.8	Very low	120 Å²	120	141.6 Å²	141.6	62%	0.615	73%	0.728	S	S	*	*			cis	-161.3	149.9	-26.8	-130.1	173.4	0	0	0	110.5
431	R	26.2	Very low	28.1	Very low	204 Å²	204	137 Å²	137	77%	0.77	72%	0.724	S	S	*	*			trans	53.4	130.1	154.1	-73.2	179.4	176.9	146.1	-0.4	122.9
432	T	26.5	Very low	28.2	Very low	104 Å²	104	134 Å²	134	64%	0.638	72%	0.721	S	S	*	*				65.6	157.8	128.2	73.8	0	0	0	0	118.9
433	D	29.6	Very low	28	Very low	124 Å²	124	135.6 Å²	135.6	66%	0.663	72%	0.722	S	S	*	*			cis	-129.9	148.7	12.2	-75.9	-88.7	0	0	0	113.4
434	H	30.9	Very low	28.2	Very low	165 Å²	165	136.9 Å²	136.9	76%	0.764	73%	0.725	S	S	*	*			trans	24.7	152.2	144.9	-59.7	-75.4	0	0	0	121.9
435	A	31.1	Very low	28.4	Very low	70 Å²	70	135.8 Å²	135.8	58%	0.579	72%	0.724	S	S	*	*			cis	-156.7	156.9	11.2	0	0	0	0	0	112.6
436	D	32.5	Very low	28.5	Very low	123 Å²	123	134.1 Å²	134.1	66%	0.658	72%	0.723	S	S	*	*			trans	60.8	145	134.3	-50.5	-4	0	0	0	122
437	H	31.4	Very low	28.5	Very low	143 Å²	143	133.6 Å²	133.6	66%	0.662	72%	0.72	S	S	*	*			cis	-157.6	143.6	-21.1	-110.2	-38	0	0	0	111.8
438	N	26.7	Very low	28.5	Very low	121 Å²	121	134.3 Å²	134.3	65%	0.647	72%	0.724	S	S	*	*			trans	38.5	120.7	141.4	-46	-13.5	0	0	0	120.7
439	L	32.3	Very low	28.6	Very low	170 Å²	170	131.3 Å²	131.3	89%	0.89	73%	0.725	S	S	*	*				-175.3	142.9	99.7	-93.4	164.7	0	0	0	112.5
440	V	27.5	Very low	28.5	Very low	125 Å²	125	129.7 Å²	129.7	76%	0.758	73%	0.729	S	S	*	*			trans	-153.2	161	-161.5	165.3	0	0	0	0	105.4
441	P	35.3	Very low	28.5	Very low	113 Å²	113	131.4 Å²	131.4	73%	0.734	74%	0.74	S	S	*	*			cis	-120.5	-139.7	-8.2	33.8	-9.1	0	0	0	108.9
442	P	29.8	Very low	28.4	Very low	120 Å²	120	127.2 Å²	127.2	78%	0.779	74%	0.741	S	S	*	*			cis	-131.8	176.8	-12.6	37.2	-16.2	0	0	0	118.2
443	V	28.1	Very low	28.6	Very low	117 Å²	117	127.4 Å²	127.4	71%	0.709	75%	0.746	S	S	*	*			trans	-98	150.6	179.7	174	0	0	0	0	110.6
444	S	28.3	Very low	28.6	Very low	121 Å²	121	128.3 Å²	128.3	85%	0.846	74%	0.741	S	S	*	*			trans	-134.6	146.5	148.7	58.3	0	0	0	0	110.4
445	N	28.2	Very low	29.2	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	72%	0.718	S	S	*	*			trans	-113.9	150.3	-169.9	-76.2	-56.3	0	0	0	112.2
446	S	28.1	Very low	30.1	Very low	93 Å²	93	126.3 Å²	126.3	65%	0.65	72%	0.724	S	S	*	*			trans	158.7	157.8	143.2	48.7	0	0	0	0	110.5
447	N	26.2	Very low	31.3	Very low	135 Å²	135	123.7 Å²	123.7	72%	0.722	71%	0.709	S	S	*	*			cis	-154.6	164.8	-34.3	-110.3	-21.8	0	0	0	108.7
448	L	24.8	Very low	33	Very low	145 Å²	145	121 Å²	121	76%	0.759	70%	0.695	S	S	*	*			trans	45.1	90.1	157.8	-70.3	163.2	0	0	0	118.3	F416	F416-L448 HydrophobicContact CE2-CD2 4.34Å; F416-L448 HydrophobicContact CZ-CD2 4.04Å
449	G	26.1	Very low	35	Very low	73 Å²	73	118.2 Å²	118.2	75%	0.753	69%	0.685	S	S	*	*			trans	-147.6	135.1	160.8	0	0	0	0	0	111.8	D451	G449-D451 PolarHBondContact O-N 3.45Å
450	M	24	Very low	36.8	Very low	195 Å²	195	110.1 Å²	110.1	96%	0.961	64%	0.643	S	S	*	*			trans	-75.2	105.8	168.5	-83.6	-146.6	-168.6	0	0	109.6	C452	M450-C452 VanDerWaalsContact C-N 3.34Å; M450-C452 PolarHBondContact O-N 3.02Å
451	D	25	Very low	38.7	Very low	157 Å²	157	108.2 Å²	108.2	84%	0.84	63%	0.633	S	S	*	*			trans	-63.8	88.7	178.8	-114.8	-22.8	0	0	0	111.8	G449 S453	G449-D451 PolarHBondContact O-N 3.45Å; D451-S453 PolarHBondContact O-N 3.36Å; D451-S453 PolarHBondContact O-OG 3.21Å
452	C	24.2	Very low	40.3	Very low	116 Å²	116	106.6 Å²	106.6	78%	0.784	62%	0.621	S	S	*	*			trans	-70.1	78.9	179.2	-169.5	0	0	0	0	109.9	M450 Y454	M450-C452 VanDerWaalsContact C-N 3.34Å; M450-C452 PolarHBondContact O-N 3.02Å; C452-Y454 VanDerWaalsContact C-N 3.31Å; C452-Y454 PolarHBondContact O-N 2.87Å
453	S	29.7	Very low	42.3	Very low	107 Å²	107	103.1 Å²	103.1	75%	0.748	60%	0.599	S	S	*	*			trans	-60.4	85.5	-175.1	-73	0	0	0	0	112.1	D451	D451-S453 PolarHBondContact O-N 3.36Å; D451-S453 PolarHBondContact O-OG 3.21Å
454	Y	31.4	Very low	44.3	Very low	143 Å²	143	106 Å²	106	56%	0.561	60%	0.598	S	S	*	*			trans	-50.1	117.5	-173.7	-137.8	-81.8	0	0	0	110.6	N345 C452 Q456	N345-Y454 PolarHBondContact OD1-OH 3.38Å; C452-Y454 VanDerWaalsContact C-N 3.31Å; C452-Y454 PolarHBondContact O-N 2.87Å; Y454-Q456 PolarHBondContact O-N 3.31Å
455	P	42.9	Very low	46.1	Very low	42 Å²	42	106.7 Å²	106.7	27%	0.273	59%	0.586	S	S	.	*			trans	-71.8	109.3	-165.3	27.8	-35.8	0	0	0	110.9	L338 I341 M457	L338-P455 HydrophobicContact CD2-CB 3.87Å; L338-P455 HydrophobicContact CD2-CG 3.78Å; L338-P455 HydrophobicContact CG-CB 4.23Å; L338-P455 HydrophobicContact CG-CG 4.42Å; I341-P455 HydrophobicContact CD1-CG 3.84Å; I341-P455 HydrophobicContact CG2-CG 4.24Å; P455-M457 PolarHBondContact O-N 3.25Å
456	Q	49.2	Very low	48.1	Very low	151 Å²	151	107.6 Å²	107.6	71%	0.706	58%	0.579	S	S	*	*			trans	-43.3	104.3	-172.6	-73.4	-174.1	-12.4	0	0	113.4	Y454	Y454-Q456 PolarHBondContact O-N 3.31Å
457	M	58.1	Low	49.8	Very low	69 Å²	69	105.4 Å²	105.4	34%	0.34	56%	0.558	S	S	.	*			trans	-76.5	126.2	172.9	-54.2	-179.1	86.9	0	0	109.6	P455 S459 R466	P455-M457 PolarHBondContact O-N 3.25Å; M457-S459 PolarHBondContact O-N 3.04Å; M457-R466 HydrophobicContact CB-CB 3.99Å; M457-R466 HydrophobicContact CE-CB 4Å; M457-R466 HydrophobicContact SD-CB 4.09Å
458	F	66.7	Low	51.5	Low	85 Å²	85	101.7 Å²	101.7	37%	0.373	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	100.8	178.7	-63.4	-85.9	0	0	0	110.4	F467 S470 L473	F458-F467 HydrophobicContact CB-CB 4.43Å; F458-F467 WeakPolarHBondContact CB-O 3.07Å; F458-F467 PolarHBondContact N-O 3.39Å; F458-F467 WeakPolarHBondContact O-CB 3.06Å; F458-F467 WeakPolarHBondContact O-CD2 3.4Å; F458-F467 PolarHBondContact O-N 3.46Å; F458-S470 VanDerWaalsContact CD2-N 3.29Å; F458-L473 HydrophobicContact CB-CB 4Å; F458-L473 HydrophobicContact CB-CD2 3.84Å
459	S	68.7	Low	53.5	Low	64 Å²	64	98.2 Å²	98.2	45%	0.448	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	154.2	176.3	54.3	0	0	0	0	112.6	M457 L473	M457-S459 PolarHBondContact O-N 3.04Å; S459-L473 WeakPolarHBondContact O-CD1 3.27Å; S459-L473 WeakPolarHBondContact O-CD2 3.34Å
460	C	69.7	Low	55.6	Low	0 Å²	0	96.9 Å²	96.9	0%	0	50%	0.497	C	S	.	.			trans	-91.2	117.2	174.4	170.1	0	0	0	0	110.4	V462 C463 Y464 K465 F467 L473 H476 M477 H480	C460-V462 PolarHBondContact O-N 3.22Å; C460-V462 VanDerWaalsContact O-N 3.14Å; C460-V462 PolarHBondContact SG-N 2.91Å; C460-V462 VanDerWaalsContact SG-N 3.45Å; C460-C463 PolarHBondContact SG-N 3.11Å; C460-C463 VanDerWaalsContact SG-SG 3.62Å; C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.09Å; C460-K465 HydrophobicContact CB-CB 4.47Å; C460-K465 VanDerWaalsContact CB-O 3.3Å; C460-K465 WeakPolarHBondContact CB-O 3.44Å; C460-K465 PolarHBondContact N-O 3.1Å; C460-F467 HydrophobicContact CB-CE2 4.27Å; C460-L473 HydrophobicContact CB-CD1 4.14Å; C460-H476 PolarHBondContact SG-CD2 2.89Å; C460-H476 PolarHBondContact SG-NE2 3.18Å; C460-M477 HydrophobicContact CB-CE 4.06Å; C460-M477 WeakPolarHBondContact SG-CE 3.18Å; C460-H480 PolarHBondContact SG-NE2 2.89Å; C460-H480 VanDerWaalsContact SG-NE2 3.38Å
461	P	67.8	Low	57.5	Low	85 Å²	85	96.8 Å²	96.8	55%	0.552	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.2	178.8	25.3	-34.8	0	0	0	114.6	M477	P461-M477 HydrophobicContact CG-CE 4.3Å; P461-M477 HydrophobicContact CG-SD 4.21Å
462	V	68.6	Low	59.5	Low	79 Å²	79	91.8 Å²	91.8	48%	0.479	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-21.9	-175.6	-172	0	0	0	0	113	C460 M477 H480	C460-V462 PolarHBondContact O-N 3.22Å; C460-V462 VanDerWaalsContact O-N 3.14Å; C460-V462 PolarHBondContact SG-N 2.91Å; C460-V462 VanDerWaalsContact SG-N 3.45Å; V462-M477 HydrophobicContact CG2-CE 4.3Å; V462-H480 HydrophobicContact CB-CB 4.42Å; V462-H480 HydrophobicContact CG1-CB 4.06Å; V462-H480 HydrophobicContact CG2-CB 4.37Å
463	C	72.2	Confident	61.9	Low	47 Å²	47	87.6 Å²	87.6	32%	0.318	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.4	25	178.7	78.7	0	0	0	0	113.9	C460 K465 H476	C460-C463 PolarHBondContact SG-N 3.11Å; C460-C463 VanDerWaalsContact SG-SG 3.62Å; C463-K465 WeakPolarHBondContact O-CG 3.45Å; C463-K465 PolarHBondContact O-N 3Å; C463-H476 PolarHBondContact SG-NE2 2.79Å
464	Y	70.2	Confident	63.5	Low	176 Å²	176	89.6 Å²	89.6	69%	0.69	42%	0.424	S	S	*	.			trans	55.9	-7.3	171.9	-59.5	-79.2	0	0	0	119.3	C460 R466	C460-Y464 WeakPolarHBondContact O-CA 3.37Å; C460-Y464 PolarHBondContact O-N 3.09Å; Y464-R466 PolarHBondContact O-N 3.32Å
465	K	65.9	Low	65.1	Low	136 Å²	136	86.2 Å²	86.2	59%	0.591	42%	0.418	S	S	*	.			trans	-53.2	125	177.9	-61.3	-162.7	-178.2	-136.2	0	112.2	C460 C463 F467	C460-K465 HydrophobicContact CB-CB 4.47Å; C460-K465 VanDerWaalsContact CB-O 3.3Å; C460-K465 WeakPolarHBondContact CB-O 3.44Å; C460-K465 PolarHBondContact N-O 3.1Å; C463-K465 WeakPolarHBondContact O-CG 3.45Å; C463-K465 PolarHBondContact O-N 3Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.15Å; K465-F467 VanDerWaalsContact O-CD2 3.25Å; K465-F467 WeakPolarHBondContact O-CD2 3.14Å; K465-F467 WeakPolarHBondContact O-CE2 3.26Å
466	R	70.6	Confident	66.4	Low	162 Å²	162	85 Å²	85	61%	0.611	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	142.6	-177.9	-58	174.2	93.9	167.8	3	110.5	M457 Y464	M457-R466 HydrophobicContact CB-CB 3.99Å; M457-R466 HydrophobicContact CE-CB 4Å; M457-R466 HydrophobicContact SD-CB 4.09Å; Y464-R466 PolarHBondContact O-N 3.32Å
467	F	64.3	Low	67.4	Low	46 Å²	46	80.3 Å²	80.3	20%	0.202	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.1	-179.4	-64.9	-84.2	0	0	0	111.4	F458 C460 K465 L469 L473 H476	F458-F467 HydrophobicContact CB-CB 4.43Å; F458-F467 WeakPolarHBondContact CB-O 3.07Å; F458-F467 PolarHBondContact N-O 3.39Å; F458-F467 WeakPolarHBondContact O-CB 3.06Å; F458-F467 WeakPolarHBondContact O-CD2 3.4Å; F458-F467 PolarHBondContact O-N 3.46Å; C460-F467 HydrophobicContact CB-CE2 4.27Å; K465-F467 HydrophobicContact CB-CE2 3.98Å; K465-F467 HydrophobicContact CB-CZ 4.15Å; K465-F467 VanDerWaalsContact O-CD2 3.25Å; K465-F467 WeakPolarHBondContact O-CD2 3.14Å; K465-F467 WeakPolarHBondContact O-CE2 3.26Å; F467-L469 PolarHBondContact O-N 3.31Å; F467-L469 VanDerWaalsContact O-N 3.11Å; F467-L473 HydrophobicContact CB-CB 4.35Å; F467-L473 HydrophobicContact CD2-CB 4.13Å; F467-L473 HydrophobicContact CD2-CD1 4.05Å; F467-L473 HydrophobicContact CE2-CD1 4.33Å; F467-L473 HydrophobicContact CG-CB 4.41Å; F467-H476 HydrophobicContact CE1-CB 4.01Å; F467-H476 HydrophobicContact CE2-CB 3.76Å; F467-H476 AromaticContact CE2-CD2 3.46Å; F467-H476 VanDerWaalsContact CE2-CD2 3.46Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.44Å; F467-H476 AromaticContact CE2-CG 3.55Å; F467-H476 HydrophobicContact CZ-CB 3.42Å; F467-H476 VanDerWaalsContact CZ-CB 3.42Å; F467-H476 AromaticContact CZ-CD2 3.66Å; F467-H476 AromaticContact CZ-CG 3.26Å; F467-H476 AromaticContact CZ-ND1 3.62Å
468	Q	60.8	Low	67.7	Low	57 Å²	57	78.2 Å²	78.2	27%	0.266	38%	0.377	S	S	.	.	S	Bend	trans	-64	-16	177	-63.7	161.6	-60.5	0	0	114.3	L338 S342	L338-Q468 HydrophobicContact CD2-CB 4.39Å; L338-Q468 HydrophobicContact CD2-CG 4.34Å; L338-Q468 PolarHBondContact O-NE2 3.14Å; S342-Q468 PolarHBondContact OG-NE2 3.39Å
469	L	67.3	Low	67.4	Low	73 Å²	73	82.3 Å²	82.3	38%	0.382	39%	0.39	S	S	.	.	S	Bend	trans	-139.6	133.2	-171.7	-62.3	172.8	0	0	0	111.6	T335 F467 R471 S472 L473	T335-L469 HydrophobicContact CG2-CD2 3.81Å; F467-L469 PolarHBondContact O-N 3.31Å; F467-L469 VanDerWaalsContact O-N 3.11Å; L469-R471 PolarHBondContact O-N 3.13Å; L469-S472 WeakPolarHBondContact O-CA 3.24Å; L469-S472 WeakPolarHBondContact O-CB 3.37Å; L469-S472 PolarHBondContact O-N 2.92Å; L469-L473 PolarHBondContact O-N 3.16Å
470	S	70	Confident	67.2	Low	45 Å²	45	82 Å²	82	32%	0.315	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-19.3	175.2	75	0	0	0	0	114	F458 R474	F458-S470 VanDerWaalsContact CD2-N 3.29Å; S470-R474 WeakPolarHBondContact O-CB 3.45Å; S470-R474 WeakPolarHBondContact O-CG 3.2Å; S470-R474 PolarHBondContact O-N 3.2Å; S470-R474 VanDerWaalsContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 2.7Å; S470-R474 PolarHBondContact OG-NH2 2.68Å; S470-R474 VanDerWaalsContact OG-NH2 3.08Å
471	R	63.3	Low	66.5	Low	193 Å²	193	84.7 Å²	84.7	73%	0.728	40%	0.4	S	S	*	.	H	α-helix	trans	-75.4	-38.3	171	-167.6	176.9	-170.8	169	5.7	111.6	L469 R474 V475	L469-R471 PolarHBondContact O-N 3.13Å; R471-R474 PolarHBondContact O-N 2.9Å; R471-V475 WeakPolarHBondContact O-CG2 3Å; R471-V475 PolarHBondContact O-N 3.17Å
472	S	68.1	Low	65.4	Low	51 Å²	51	85 Å²	85	36%	0.357	40%	0.396	S	S	.	.	H	α-helix	trans	-68.5	-42.7	175.9	-59.4	0	0	0	0	111	L469 V475 H476	L469-S472 WeakPolarHBondContact O-CA 3.24Å; L469-S472 WeakPolarHBondContact O-CB 3.37Å; L469-S472 PolarHBondContact O-N 2.92Å; S472-V475 PolarHBondContact O-N 3.04Å; S472-H476 WeakPolarHBondContact O-CB 3.49Å; S472-H476 PolarHBondContact O-N 3.46Å
473	L	73.6	Confident	63.7	Low	28 Å²	28	86.5 Å²	86.5	15%	0.147	40%	0.404	C	S	.	.	H	α-helix	trans	-56.7	-50.1	169.3	173.9	60.4	0	0	0	111.2	F458 S459 C460 F467 L469 V475 H476 M477	F458-L473 HydrophobicContact CB-CB 4Å; F458-L473 HydrophobicContact CB-CD2 3.84Å; S459-L473 WeakPolarHBondContact O-CD1 3.27Å; S459-L473 WeakPolarHBondContact O-CD2 3.34Å; C460-L473 HydrophobicContact CB-CD1 4.14Å; F467-L473 HydrophobicContact CB-CB 4.35Å; F467-L473 HydrophobicContact CD2-CB 4.13Å; F467-L473 HydrophobicContact CD2-CD1 4.05Å; F467-L473 HydrophobicContact CE2-CD1 4.33Å; F467-L473 HydrophobicContact CG-CB 4.41Å; L469-L473 PolarHBondContact O-N 3.16Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 3.08Å; L473-H476 CarbonylContact O-C 3.59Å; L473-H476 WeakPolarHBondContact O-CA 3.47Å; L473-H476 WeakPolarHBondContact O-CB 3.5Å; L473-H476 PolarHBondContact O-N 3.4Å; L473-M477 HydrophobicContact CD1-CE 3.88Å; L473-M477 HydrophobicContact CD1-CG 4.11Å; L473-M477 HydrophobicContact CD1-SD 4.47Å; L473-M477 HydrophobicContact CG-CG 4.33Å; L473-M477 WeakPolarHBondContact O-CG 3.05Å; L473-M477 PolarHBondContact O-N 3.22Å
474	R	65	Low	61.6	Low	150 Å²	150	87 Å²	87	57%	0.566	42%	0.418	S	S	*	.	H	α-helix	trans	-59.4	-37.2	178.1	-82.7	179.1	-79	-177.5	-8.7	113.6	S470 R471 H476 L478	S470-R474 WeakPolarHBondContact O-CB 3.45Å; S470-R474 WeakPolarHBondContact O-CG 3.2Å; S470-R474 PolarHBondContact O-N 3.2Å; S470-R474 VanDerWaalsContact O-N 3.13Å; S470-R474 PolarHBondContact O-NE 2.7Å; S470-R474 PolarHBondContact OG-NH2 2.68Å; S470-R474 VanDerWaalsContact OG-NH2 3.08Å; R471-R474 PolarHBondContact O-N 2.9Å; R474-H476 VanDerWaalsContact C-N 3.32Å; R474-L478 PolarHBondContact O-N 3.44Å
475	V	64.1	Low	59.6	Low	71 Å²	71	83.7 Å²	83.7	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-72.6	-25.9	174.3	171.8	0	0	0	0	112.2	R471 S472 L473	R471-V475 WeakPolarHBondContact O-CG2 3Å; R471-V475 PolarHBondContact O-N 3.17Å; S472-V475 PolarHBondContact O-N 3.04Å; L473-V475 VanDerWaalsContact C-N 3.32Å; L473-V475 PolarHBondContact O-N 3.08Å
476	H	70.7	Confident	57.9	Low	17 Å²	17	87.6 Å²	87.6	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-76.3	-39.4	172	175.1	73.4	0	0	0	112.7	C460 C463 F467 S472 L473 R474 L478 R479 H480	C460-H476 PolarHBondContact SG-CD2 2.89Å; C460-H476 PolarHBondContact SG-NE2 3.18Å; C463-H476 PolarHBondContact SG-NE2 2.79Å; F467-H476 HydrophobicContact CE1-CB 4.01Å; F467-H476 HydrophobicContact CE2-CB 3.76Å; F467-H476 AromaticContact CE2-CD2 3.46Å; F467-H476 VanDerWaalsContact CE2-CD2 3.46Å; F467-H476 WeakPolarHBondContact CE2-CD2 3.44Å; F467-H476 AromaticContact CE2-CG 3.55Å; F467-H476 HydrophobicContact CZ-CB 3.42Å; F467-H476 VanDerWaalsContact CZ-CB 3.42Å; F467-H476 AromaticContact CZ-CD2 3.66Å; F467-H476 AromaticContact CZ-CG 3.26Å; F467-H476 AromaticContact CZ-ND1 3.62Å; S472-H476 WeakPolarHBondContact O-CB 3.49Å; S472-H476 PolarHBondContact O-N 3.46Å; L473-H476 CarbonylContact O-C 3.59Å; L473-H476 WeakPolarHBondContact O-CA 3.47Å; L473-H476 WeakPolarHBondContact O-CB 3.5Å; L473-H476 PolarHBondContact O-N 3.4Å; R474-H476 VanDerWaalsContact C-N 3.32Å; H476-L478 PolarHBondContact O-N 3.27Å; H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.29Å; H476-R479 WeakPolarHBondContact O-CG 3.27Å; H476-R479 PolarHBondContact O-N 2.75Å; H476-H480 AromaticContact CD2-NE2 3.72Å; H476-H480 AromaticContact CE1-NE2 3.57Å; H476-H480 AromaticContact NE2-CD2 3.94Å; H476-H480 AromaticContact NE2-CE1 3.91Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.03Å
477	M	69.4	Low	55.9	Low	53 Å²	53	84.1 Å²	84.1	26%	0.261	44%	0.436	S	S	.	.	H	α-helix	trans	-54.9	-37.2	173.9	-69.6	-73.3	98.2	0	0	112.5	C460 P461 V462 L473 R479 H480 S481	C460-M477 HydrophobicContact CB-CE 4.06Å; C460-M477 WeakPolarHBondContact SG-CE 3.18Å; P461-M477 HydrophobicContact CG-CE 4.3Å; P461-M477 HydrophobicContact CG-SD 4.21Å; V462-M477 HydrophobicContact CG2-CE 4.3Å; L473-M477 HydrophobicContact CD1-CE 3.88Å; L473-M477 HydrophobicContact CD1-CG 4.11Å; L473-M477 HydrophobicContact CD1-SD 4.47Å; L473-M477 HydrophobicContact CG-CG 4.33Å; L473-M477 WeakPolarHBondContact O-CG 3.05Å; L473-M477 PolarHBondContact O-N 3.22Å; M477-R479 PolarHBondContact O-N 3.3Å; M477-H480 PolarHBondContact O-N 3.4Å; M477-S481 PolarHBondContact O-N 3.23Å
478	L	63.7	Low	54.1	Low	24 Å²	24	89.5 Å²	89.5	13%	0.126	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	1.6	172.9	-65.3	174	0	0	0	115	R474 H476 R526	R474-L478 PolarHBondContact O-N 3.44Å; H476-L478 PolarHBondContact O-N 3.27Å; L478-R526 HydrophobicContact CD2-CB 4.09Å; L478-R526 HydrophobicContact CD2-CG 4.07Å
479	R	60.6	Low	52.5	Low	172 Å²	172	95.6 Å²	95.6	65%	0.649	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-29.2	168.6	-58.4	-173.5	-177.6	-166	2.7	112.9	H476 M477	H476-R479 VanDerWaalsContact O-CB 3.24Å; H476-R479 WeakPolarHBondContact O-CB 3.29Å; H476-R479 WeakPolarHBondContact O-CG 3.27Å; H476-R479 PolarHBondContact O-N 2.75Å; M477-R479 PolarHBondContact O-N 3.3Å
480	H	66.1	Low	50.6	Low	58 Å²	58	103.3 Å²	103.3	27%	0.269	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-33.1	-178.4	-59.6	-57.5	0	0	0	111.9	C460 V462 H476 M477 M482 V483	C460-H480 PolarHBondContact SG-NE2 2.89Å; C460-H480 VanDerWaalsContact SG-NE2 3.38Å; V462-H480 HydrophobicContact CB-CB 4.42Å; V462-H480 HydrophobicContact CG1-CB 4.06Å; V462-H480 HydrophobicContact CG2-CB 4.37Å; H476-H480 AromaticContact CD2-NE2 3.72Å; H476-H480 AromaticContact CE1-NE2 3.57Å; H476-H480 AromaticContact NE2-CD2 3.94Å; H476-H480 AromaticContact NE2-CE1 3.91Å; H476-H480 AromaticContact NE2-NE2 3.02Å; H476-H480 PolarHBondContact NE2-NE2 3.03Å; M477-H480 PolarHBondContact O-N 3.4Å; H480-M482 PolarHBondContact O-N 2.82Å; H480-V483 PolarHBondContact O-N 2.98Å
481	S	55.1	Low	48.6	Very low	55 Å²	55	106.9 Å²	106.9	39%	0.385	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	42.9	175.2	70.6	0	0	0	0	113.7	M477	M477-S481 PolarHBondContact O-N 3.23Å
482	M	43.6	Very low	46.8	Very low	93 Å²	93	103.5 Å²	103.5	46%	0.458	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	-2.4	-179.8	-72.6	-93	16.6	0	0	112.1	H480 F527 R538	H480-M482 PolarHBondContact O-N 2.82Å; M482-F527 HydrophobicContact CG-CZ 4.49Å; M482-F527 HydrophobicContact SD-CE1 4.11Å; M482-F527 HydrophobicContact SD-CZ 4.01Å; M482-R538 PolarHBondContact SD-NE 3.34Å; M482-R538 PolarHBondContact SD-NH2 2.99Å
483	V	33.5	Very low	44.9	Very low	109 Å²	109	108.5 Å²	108.5	66%	0.661	55%	0.548	S	S	*	.	S	Bend	trans	-98.4	140.3	161	-175.8	0	0	0	0	106.6	H480 C485	H480-V483 PolarHBondContact O-N 2.98Å; V483-C485 PolarHBondContact O-N 3.34Å
484	G	28.3	Very low	42.8	Very low	58 Å²	58	111.7 Å²	111.7	60%	0.598	57%	0.572	S	S	*	*			trans	-61.6	115.2	-166.5	0	0	0	0	0	113.8	K486	G484-K486 PolarHBondContact O-N 3.26Å
485	C	27.3	Very low	41.1	Very low	106 Å²	106	112.2 Å²	112.2	72%	0.716	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	63.2	176.9	-61.1	0	0	0	0	112.5	V483	V483-C485 PolarHBondContact O-N 3.34Å
486	K	29.6	Very low	39.5	Very low	218 Å²	218	116.4 Å²	116.4	95%	0.948	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-4.9	160.2	-80.7	-170.4	174	-176.6	0	112.6	G484	G484-K486 PolarHBondContact O-N 3.26Å
487	S	29	Very low	37.4	Very low	89 Å²	89	120 Å²	120	62%	0.622	63%	0.628	S	S	*	*	S	Bend	trans	-133.2	14	-167	53.5	0	0	0	0	115.4
488	Y	27.9	Very low	35.5	Very low	160 Å²	160	125.2 Å²	125.2	63%	0.627	66%	0.656	S	S	*	*			trans	-112.9	17.5	-177.9	-99.3	-82	0	0	0	114.7	R490 I491	Y488-R490 VanDerWaalsContact C-N 3.34Å; Y488-R490 PolarHBondContact O-N 2.86Å; Y488-I491 HydrophobicContact CD1-CD1 4.29Å; Y488-I491 HydrophobicContact CE1-CD1 3.72Å
489	E	27.2	Very low	34.1	Very low	185 Å²	185	131.6 Å²	131.6	86%	0.864	69%	0.685	S	S	*	*	S	Bend	trans	-96	52.5	169.6	-67.3	-174.6	161.3	0	0	111.6
490	R	27	Very low	32.8	Very low	235 Å²	235	130.7 Å²	130.7	89%	0.887	69%	0.688	S	S	*	*			trans	177.6	100.6	158.3	-106.6	162.2	-75.9	-165.7	-1.9	111.4	Y488	Y488-R490 VanDerWaalsContact C-N 3.34Å; Y488-R490 PolarHBondContact O-N 2.86Å
491	I	27.4	Very low	31.2	Very low	119 Å²	119	136.3 Å²	136.3	61%	0.61	71%	0.712	S	S	*	*			trans	-141.2	120.8	149.9	-58.7	-176.5	0	0	0	105.8	Y488	Y488-I491 HydrophobicContact CD1-CD1 4.29Å; Y488-I491 HydrophobicContact CE1-CD1 3.72Å
492	P	25.1	Very low	30	Very low	123 Å²	123	141.4 Å²	141.4	80%	0.799	73%	0.734	S	S	*	*			trans	-71.9	139	175.5	30.4	-33.2	0	0	0	110.1
493	I	29.2	Very low	29.3	Very low	156 Å²	156	145.1 Å²	145.1	80%	0.8	75%	0.752	S	S	*	*			trans	-111.5	108.2	163.5	-60.6	177.8	0	0	0	105.3
494	S	29.2	Very low	29.1	Very low	95 Å²	95	148.7 Å²	148.7	66%	0.664	75%	0.754	S	S	*	*			trans	-62.4	165.1	174.9	38.7	0	0	0	0	111.7
495	Q	29.2	Very low	29.2	Very low	161 Å²	161	153.4 Å²	153.4	75%	0.752	77%	0.766	S	S	*	*			trans	-52.6	146	179	-58.2	96.7	-38.5	0	0	110.6
496	N	29.7	Very low	29.5	Very low	158 Å²	158	159.5 Å²	159.5	85%	0.845	77%	0.774	S	S	*	*				-137.8	140	52.9	-81.5	-42.8	0	0	0	116.7
497	S	27.1	Very low	29.4	Very low	93 Å²	93	156.4 Å²	156.4	65%	0.65	77%	0.766	S	S	*	*			trans	-69.6	156.6	153	48	0	0	0	0	109.9
498	I	29.7	Very low	29.3	Very low	163 Å²	163	159.3 Å²	159.3	84%	0.836	78%	0.775	S	S	*	*	S	Bend		-148.6	122.7	66.4	-73.3	145	0	0	0	110.4
499	Q	34.1	Very low	29.4	Very low	158 Å²	158	156.8 Å²	156.8	74%	0.738	78%	0.776	S	S	*	*	S	Bend	trans	174.1	-23.1	155.5	-104.5	178.4	30.2	0	0	111.5	K501	Q499-K501 PolarHBondContact O-N 3.08Å
500	Q	33.3	Very low	29.6	Very low	153 Å²	153	158.1 Å²	158.1	72%	0.715	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-7.6	-169.8	-62.9	-168.9	18	0	0	116.4	N502 M503	Q500-N502 PolarHBondContact O-N 3.1Å; Q500-M503 PolarHBondContact O-N 3.3Å
501	K	32.7	Very low	29.7	Very low	176 Å²	176	152.7 Å²	152.7	77%	0.765	77%	0.773	S	S	*	*	H	α-helix	trans	-55.6	-36.8	179.2	-84.1	-174.3	174.4	179.3	0	111.7	Q499 M503 R504	Q499-K501 PolarHBondContact O-N 3.08Å; K501-M503 VanDerWaalsContact C-N 3.3Å; K501-M503 PolarHBondContact O-N 2.9Å; K501-R504 PolarHBondContact O-N 3.48Å
502	N	30.4	Very low	29.8	Very low	161 Å²	161	152.5 Å²	152.5	86%	0.861	78%	0.78	S	S	*	*	H	α-helix	trans	-76.7	1.4	-177.2	-71.7	-6.7	0	0	0	116.3	Q500	Q500-N502 PolarHBondContact O-N 3.1Å
503	M	27.9	Very low	30	Very low	171 Å²	171	153.9 Å²	153.9	84%	0.842	78%	0.781	S	S	*	*	H	α-helix	trans	-104.2	-9.8	170	-70.6	-148	-167.1	0	0	114.7	Q500 K501	Q500-M503 PolarHBondContact O-N 3.3Å; K501-M503 VanDerWaalsContact C-N 3.3Å; K501-M503 PolarHBondContact O-N 2.9Å
504	R	29.4	Very low	30.2	Very low	185 Å²	185	155 Å²	155	70%	0.698	78%	0.78	S	S	*	*	H	α-helix	trans	-75.5	-30.1	-175.4	-76.3	-178.4	167.7	158	-2.6	113.6	K501 R506 L507	K501-R504 PolarHBondContact O-N 3.48Å; R504-R506 PolarHBondContact O-N 3.38Å; R504-L507 PolarHBondContact O-N 3.41Å
505	N	30.4	Very low	30.2	Very low	157 Å²	157	154.5 Å²	154.5	84%	0.84	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	34.9	-174.3	-66.1	5.2	0	0	0	115.3
506	R	33	Very low	30.5	Very low	234 Å²	234	157.2 Å²	157.2	88%	0.883	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	9.5	168.3	-76	-165.4	173.7	178.8	0.9	114.5	R504	R504-R506 PolarHBondContact O-N 3.38Å
507	L	29	Very low	30.7	Very low	152 Å²	152	158 Å²	158	80%	0.796	78%	0.782	S	S	*	*			trans	-134.8	70.4	179.8	-75.7	172.2	0	0	0	111.9	R504	R504-L507 PolarHBondContact O-N 3.41Å
508	N	27.4	Very low	30.9	Very low	151 Å²	151	156.3 Å²	156.3	81%	0.807	77%	0.77	S	S	*	*			trans	-161.6	145.7	166.2	-104.6	-4.2	0	0	0	107.9
509	T	29.1	Very low	30.8	Very low	106 Å²	106	152.7 Å²	152.7	65%	0.65	76%	0.759	S	S	*	*			cis	-163.6	145.7	-27.3	-1.8	0	0	0	0	107.4
510	K	30.6	Very low	30.6	Very low	213 Å²	213	148.3 Å²	148.3	93%	0.926	75%	0.745	S	S	*	*			trans	-144.2	131.5	143.3	-80	-151	173.2	-168.6	0	108.4
511	T	30.3	Very low	30.5	Very low	122 Å²	122	149.1 Å²	149.1	75%	0.748	74%	0.742	S	S	*	*			trans	-80.2	162.7	-173.5	43.7	0	0	0	0	111.8
512	C	29.9	Very low	30.6	Very low	114 Å²	114	149.4 Å²	149.4	77%	0.77	74%	0.743	S	S	*	*			trans	-155.3	65.6	172.8	-173.2	0	0	0	0	111.1	K514	C512-K514 VanDerWaalsContact C-N 3.32Å; C512-K514 PolarHBondContact O-N 3.44Å
513	D	29.3	Very low	30.7	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	73%	0.731	S	S	*	*			trans	-71.2	89.4	166.1	-79.1	-67.6	0	0	0	110.4
514	K	32.9	Very low	31	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	71%	0.711	S	S	*	*			trans	-163.4	134.5	157.3	-104.3	146.5	-172.8	-179	0	110	C512	C512-K514 VanDerWaalsContact C-N 3.32Å; C512-K514 PolarHBondContact O-N 3.44Å
515	S	29.9	Very low	31.4	Very low	85 Å²	85	140.7 Å²	140.7	59%	0.594	71%	0.711	S	S	*	*			trans	65.8	102.3	-174.2	78.5	0	0	0	0	116.7	K517 S518	S515-K517 PolarHBondContact O-N 3.23Å; S515-S518 PolarHBondContact O-N 3.49Å; S515-S518 PolarHBondContact O-OG 2.96Å
516	K	34.8	Very low	32.2	Very low	219 Å²	219	141.1 Å²	141.1	95%	0.952	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	3.4	171.7	-67.4	178.8	177.1	175.5	0	114.5
517	K	33.6	Very low	32.9	Very low	173 Å²	173	132.7 Å²	132.7	75%	0.752	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-2.5	-179.6	-66.3	-178.6	177.7	177.4	0	114.2	S515	S515-K517 PolarHBondContact O-N 3.23Å
518	S	31.4	Very low	34.6	Very low	58 Å²	58	127.7 Å²	127.7	41%	0.406	64%	0.644	S	S	.	*	S	Bend	trans	-94.1	-35	-172.6	65.2	0	0	0	0	115.1	S515	S515-S518 PolarHBondContact O-N 3.49Å; S515-S518 PolarHBondContact O-OG 2.96Å
519	C	28.5	Very low	36.4	Very low	88 Å²	88	126.8 Å²	126.8	60%	0.595	63%	0.63	S	S	*	*	H	α-helix	trans	-73.3	-38.7	-174	-163.8	0	0	0	0	112.8	R521 K522	C519-R521 VanDerWaalsContact C-N 3.28Å; C519-R521 PolarHBondContact O-N 3.13Å; C519-K522 PolarHBondContact O-N 3.01Å; C519-K522 VanDerWaalsContact O-N 3.1Å
520	S	29.9	Very low	38.3	Very low	66 Å²	66	121.8 Å²	121.8	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-56.7	-39.2	174.9	50	0	0	0	0	112.6	K522 L523 V524	S520-K522 VanDerWaalsContact C-N 3.3Å; S520-K522 PolarHBondContact O-N 2.86Å; S520-L523 PolarHBondContact O-N 3.18Å; S520-L523 VanDerWaalsContact O-N 3.13Å; S520-V524 WeakPolarHBondContact O-CG2 3.47Å; S520-V524 PolarHBondContact O-N 3Å
521	R	30.8	Very low	39.7	Very low	169 Å²	169	117.6 Å²	117.6	64%	0.638	59%	0.585	S	S	*	*	H	α-helix	trans	-56.6	-40.9	175.8	-68.6	-179.7	171.5	171.6	-2.7	112.2	C519 L523 V524 H525	C519-R521 VanDerWaalsContact C-N 3.28Å; C519-R521 PolarHBondContact O-N 3.13Å; R521-L523 VanDerWaalsContact C-N 3.33Å; R521-L523 PolarHBondContact O-N 2.8Å; R521-V524 PolarHBondContact O-N 3.37Å; R521-H525 PolarHBondContact O-CD2 3.36Å
522	K	34.1	Very low	41.4	Very low	182 Å²	182	116.5 Å²	116.5	79%	0.791	57%	0.572	S	S	*	*	H	α-helix	trans	-70.4	-23.2	179.3	-70.6	-179.4	179.1	173.2	0	114.1	C519 S520	C519-K522 PolarHBondContact O-N 3.01Å; C519-K522 VanDerWaalsContact O-N 3.1Å; S520-K522 VanDerWaalsContact C-N 3.3Å; S520-K522 PolarHBondContact O-N 2.86Å
523	L	33.1	Very low	43.1	Very low	116 Å²	116	112.2 Å²	112.2	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-81.9	-30.8	175.7	-80.6	161.7	0	0	0	113	S520 R521 H525	S520-L523 PolarHBondContact O-N 3.18Å; S520-L523 VanDerWaalsContact O-N 3.13Å; R521-L523 VanDerWaalsContact C-N 3.33Å; R521-L523 PolarHBondContact O-N 2.8Å; L523-H525 PolarHBondContact O-N 2.91Å
524	V	33.6	Very low	44.4	Very low	71 Å²	71	110 Å²	110	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-67.7	-29	-175.9	169.2	0	0	0	0	113.6	S520 R521 R526 R529	S520-V524 WeakPolarHBondContact O-CG2 3.47Å; S520-V524 PolarHBondContact O-N 3Å; R521-V524 PolarHBondContact O-N 3.37Å; V524-R526 PolarHBondContact O-N 3.09Å; V524-R529 VanDerWaalsContact CG1-NH2 3.35Å
525	H	37.2	Very low	46.1	Very low	148 Å²	148	107.9 Å²	107.9	69%	0.685	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	1.5	-178.5	-70.4	-76	0	0	0	115.8	R521 L523	R521-H525 PolarHBondContact O-CD2 3.36Å; L523-H525 PolarHBondContact O-N 2.91Å
526	R	47.4	Very low	47.9	Very low	165 Å²	165	106.7 Å²	106.7	62%	0.623	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.4	-169.9	-123.2	172	-170	155.8	6.2	116.6	L478 V524	L478-R526 HydrophobicContact CD2-CB 4.09Å; L478-R526 HydrophobicContact CD2-CG 4.07Å; V524-R526 PolarHBondContact O-N 3.09Å
527	F	49.3	Very low	49.4	Very low	58 Å²	58	98 Å²	98	25%	0.254	47%	0.474	S	S	.	.	S	Bend	trans	-103	145	177.8	-69.2	-78.1	0	0	0	112.8	M482 R529 A536 R538	M482-F527 HydrophobicContact CG-CZ 4.49Å; M482-F527 HydrophobicContact SD-CE1 4.11Å; M482-F527 HydrophobicContact SD-CZ 4.01Å; F527-R529 PolarHBondContact O-N 2.79Å; F527-A536 HydrophobicContact CB-CB 4.02Å; F527-A536 HydrophobicContact CG-CB 4.46Å; F527-R538 HydrophobicContact CE1-CG 4.31Å
528	N	63.1	Low	50.6	Low	46 Å²	46	95.5 Å²	95.5	25%	0.246	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	85.5	177.6	-49.8	-98.5	0	0	0	108.4	F537 V540 L543	N528-F537 HydrophobicContact CB-CB 4.38Å; N528-F537 WeakPolarHBondContact CB-O 3.45Å; N528-F537 PolarHBondContact N-O 3.01Å; N528-F537 VanDerWaalsContact N-O 3.13Å; N528-F537 PolarHBondContact ND2-O 2.77Å; N528-F537 WeakPolarHBondContact O-CB 3.4Å; N528-F537 WeakPolarHBondContact O-CD2 3.33Å; N528-F537 PolarHBondContact O-N 3.23Å; N528-V540 WeakPolarHBondContact OD1-CG2 3.4Å; N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.83Å
529	R	65.8	Low	52.2	Low	132 Å²	132	94.6 Å²	94.6	50%	0.498	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	154.4	177.9	-70.8	-178.2	171.6	-177.3	-7.5	111.5	V524 F527 K535 A536 L543	V524-R529 VanDerWaalsContact CG1-NH2 3.35Å; F527-R529 PolarHBondContact O-N 2.79Å; R529-K535 CarbonylContact C-O 3.5Å; R529-K535 WeakPolarHBondContact CA-O 3.5Å; R529-A536 HydrophobicContact CG-CB 4.41Å; R529-L543 WeakPolarHBondContact O-CD1 3.42Å; R529-L543 WeakPolarHBondContact O-CD2 3.44Å
530	C	69.8	Low	54.1	Low	1 Å²	1	93.6 Å²	93.6	1%	0.007	44%	0.444	C	S	.	.			trans	-85.4	129	170.6	-164.6	0	0	0	0	111.6	H532 F534 K535 F537 L543 H546 I547 H551	C530-H532 PolarHBondContact O-N 3.19Å; C530-F534 WeakPolarHBondContact O-CA 3.49Å; C530-F534 PolarHBondContact O-N 3.23Å; C530-K535 PolarHBondContact N-O 3.2Å; C530-F537 HydrophobicContact CB-CE2 4.35Å; C530-L543 HydrophobicContact CB-CD1 3.9Å; C530-H546 VanDerWaalsContact CB-CD2 3.44Å; C530-H546 WeakPolarHBondContact CB-CD2 3.26Å; C530-H546 WeakPolarHBondContact CB-NE2 3.37Å; C530-H546 PolarHBondContact SG-CD2 3.25Å; C530-H546 PolarHBondContact SG-NE2 2.98Å; C530-I547 VanDerWaalsContact SG-CG1 3.59Å; C530-H551 PolarHBondContact SG-CD2 2.83Å
531	I	59.7	Low	55.7	Low	125 Å²	125	95.8 Å²	95.8	64%	0.641	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.6	176.4	-58.5	170.4	0	0	0	111.3
532	H	65.2	Low	57.5	Low	99 Å²	99	95.2 Å²	95.2	46%	0.458	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-12	-172	-56.8	-69.4	0	0	0	115.6	C530 H551	C530-H532 PolarHBondContact O-N 3.19Å; H532-H551 HydrophobicContact CB-CB 3.88Å; H532-H551 WeakPolarHBondContact CB-ND1 3.44Å; H532-H551 AromaticContact CD2-CG 3.9Å; H532-H551 AromaticContact CG-CG 3.85Å
533	C	66.7	Low	59.5	Low	24 Å²	24	87.8 Å²	87.8	16%	0.162	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-161.1	23.2	172.4	79.1	0	0	0	0	114.2	K535 H546 H551	C533-K535 PolarHBondContact O-N 2.86Å; C533-H546 PolarHBondContact SG-CE1 2.77Å; C533-H546 PolarHBondContact SG-NE2 3.36Å; C533-H546 VanDerWaalsContact SG-NE2 3.43Å; C533-H551 PolarHBondContact SG-NE2 3.4Å
534	F	55	Low	61.1	Low	106 Å²	106	87.7 Å²	87.7	47%	0.465	41%	0.412	S	S	.	.			trans	58.5	-8.2	172.7	-52.3	-74.8	0	0	0	118.8	C118 C530 A536	C118-F534 HydrophobicContact CB-CE1 3.89Å; C118-F534 HydrophobicContact CB-CZ 3.6Å; C530-F534 WeakPolarHBondContact O-CA 3.49Å; C530-F534 PolarHBondContact O-N 3.23Å; F534-A536 PolarHBondContact O-N 2.96Å
535	K	69.6	Low	62.8	Low	135 Å²	135	87.4 Å²	87.4	59%	0.587	41%	0.408	S	S	*	.			trans	-49.7	129.3	177.4	-75.1	177.9	-179.7	169.4	0	111.1	R529 C530 C533 F537	R529-K535 CarbonylContact C-O 3.5Å; R529-K535 WeakPolarHBondContact CA-O 3.5Å; C530-K535 PolarHBondContact N-O 3.2Å; C533-K535 PolarHBondContact O-N 2.86Å; K535-F537 HydrophobicContact CB-CE2 3.82Å; K535-F537 HydrophobicContact CB-CZ 3.93Å; K535-F537 WeakPolarHBondContact O-CD2 3.21Å; K535-F537 WeakPolarHBondContact O-CE2 3.48Å
536	A	67.9	Low	64.6	Low	59 Å²	59	81.2 Å²	81.2	49%	0.488	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131	-170.5	0	0	0	0	0	112.4	F527 R529 F534	F527-A536 HydrophobicContact CB-CB 4.02Å; F527-A536 HydrophobicContact CG-CB 4.46Å; R529-A536 HydrophobicContact CG-CB 4.41Å; F534-A536 PolarHBondContact O-N 2.96Å
537	F	66.6	Low	65.6	Low	36 Å²	36	74.9 Å²	74.9	16%	0.158	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129.2	-178.8	-62.7	-80	0	0	0	113.5	N528 C530 K535 S539 R542 L543 H546	N528-F537 HydrophobicContact CB-CB 4.38Å; N528-F537 WeakPolarHBondContact CB-O 3.45Å; N528-F537 PolarHBondContact N-O 3.01Å; N528-F537 VanDerWaalsContact N-O 3.13Å; N528-F537 PolarHBondContact ND2-O 2.77Å; N528-F537 WeakPolarHBondContact O-CB 3.4Å; N528-F537 WeakPolarHBondContact O-CD2 3.33Å; N528-F537 PolarHBondContact O-N 3.23Å; C530-F537 HydrophobicContact CB-CE2 4.35Å; K535-F537 HydrophobicContact CB-CE2 3.82Å; K535-F537 HydrophobicContact CB-CZ 3.93Å; K535-F537 WeakPolarHBondContact O-CD2 3.21Å; K535-F537 WeakPolarHBondContact O-CE2 3.48Å; F537-S539 PolarHBondContact O-N 2.88Å; F537-R542 HydrophobicContact CB-CB 4.09Å; F537-R542 HydrophobicContact CD1-CB 3.8Å; F537-R542 HydrophobicContact CG-CB 4.27Å; F537-L543 HydrophobicContact CB-CB 4.05Å; F537-L543 HydrophobicContact CD2-CB 4.11Å; F537-L543 HydrophobicContact CD2-CD1 3.79Å; F537-L543 HydrophobicContact CE2-CD1 4.28Å; F537-L543 HydrophobicContact CG-CB 4.24Å; F537-H546 HydrophobicContact CD2-CB 4.49Å; F537-H546 HydrophobicContact CE1-CB 3.78Å; F537-H546 HydrophobicContact CE2-CB 3.75Å; F537-H546 AromaticContact CE2-CD2 3.11Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.46Å; F537-H546 AromaticContact CE2-CG 3.43Å; F537-H546 VanDerWaalsContact CE2-CG 3.43Å; F537-H546 AromaticContact CE2-NE2 3.76Å; F537-H546 HydrophobicContact CZ-CB 3.35Å; F537-H546 AromaticContact CZ-CD2 3.39Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.37Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.67Å; F537-H546 AromaticContact CZ-NE2 3.98Å
538	R	57	Low	66.3	Low	122 Å²	122	75.3 Å²	75.3	46%	0.46	36%	0.358	S	S	.	.	S	Bend	trans	-63.4	-3.2	173.9	-60.5	-177.7	-177.1	161.8	0.8	114.2	M482 F527	M482-R538 PolarHBondContact SD-NE 3.34Å; M482-R538 PolarHBondContact SD-NH2 2.99Å; F527-R538 HydrophobicContact CE1-CG 4.31Å
539	S	65.1	Low	66.5	Low	38 Å²	38	81 Å²	81	27%	0.266	38%	0.381	S	S	.	.	S	Bend	trans	-159.7	151.7	168.5	70.2	0	0	0	0	112.9	F537 N541 R542 L543	F537-S539 PolarHBondContact O-N 2.88Å; S539-N541 PolarHBondContact O-N 3.34Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 PolarHBondContact OG-N 3.23Å; S539-L543 PolarHBondContact O-N 3.44Å
540	V	68.2	Low	66.5	Low	67 Å²	67	78.6 Å²	78.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-51.7	-36	171.1	-179.2	0	0	0	0	111.8	N528 L543 K544	N528-V540 WeakPolarHBondContact OD1-CG2 3.4Å; V540-L543 PolarHBondContact O-N 3.48Å; V540-K544 HydrophobicContact CG1-CD 4.24Å; V540-K544 HydrophobicContact CG1-CG 4.41Å; V540-K544 WeakPolarHBondContact O-CG 3.46Å; V540-K544 PolarHBondContact O-N 2.84Å
541	N	63.6	Low	66.4	Low	112 Å²	112	80.5 Å²	80.5	60%	0.599	39%	0.389	S	S	*	.	H	α-helix	trans	-69.6	-35.3	179.8	-68.9	-6.9	0	0	0	112.4	S539 L545	S539-N541 PolarHBondContact O-N 3.34Å; N541-L545 WeakPolarHBondContact O-CB 3.24Å; N541-L545 PolarHBondContact O-N 2.88Å; N541-L545 VanDerWaalsContact O-N 3.16Å
542	R	70.5	Confident	66.3	Low	157 Å²	157	81.7 Å²	81.7	59%	0.592	40%	0.396	S	S	*	.	H	α-helix	trans	-72.1	-37	170.9	-79.6	-167.1	174	-162.6	-0.7	111.8	F537 S539 L545 H546	F537-R542 HydrophobicContact CB-CB 4.09Å; F537-R542 HydrophobicContact CD1-CB 3.8Å; F537-R542 HydrophobicContact CG-CB 4.27Å; S539-R542 PolarHBondContact O-N 3.3Å; S539-R542 PolarHBondContact OG-N 3.23Å; R542-L545 VanDerWaalsContact O-CB 3.27Å; R542-L545 WeakPolarHBondContact O-CB 3.42Å; R542-L545 PolarHBondContact O-N 3.43Å; R542-H546 WeakPolarHBondContact O-CB 3.25Å; R542-H546 PolarHBondContact O-N 3.14Å
543	L	74.6	Confident	65.4	Low	26 Å²	26	77.6 Å²	77.6	14%	0.136	38%	0.381	C	S	.	.	H	α-helix	trans	-59.5	-50.5	173.4	174.1	59.5	0	0	0	111.6	N528 R529 C530 F537 S539 V540 L545 H546 I547	N528-L543 HydrophobicContact CB-CB 4.09Å; N528-L543 HydrophobicContact CB-CD2 3.83Å; R529-L543 WeakPolarHBondContact O-CD1 3.42Å; R529-L543 WeakPolarHBondContact O-CD2 3.44Å; C530-L543 HydrophobicContact CB-CD1 3.9Å; F537-L543 HydrophobicContact CB-CB 4.05Å; F537-L543 HydrophobicContact CD2-CB 4.11Å; F537-L543 HydrophobicContact CD2-CD1 3.79Å; F537-L543 HydrophobicContact CE2-CD1 4.28Å; F537-L543 HydrophobicContact CG-CB 4.24Å; S539-L543 PolarHBondContact O-N 3.44Å; V540-L543 PolarHBondContact O-N 3.48Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 3.34Å; L543-H546 PolarHBondContact O-N 3.41Å; L543-I547 HydrophobicContact CD1-CD1 3.69Å; L543-I547 HydrophobicContact CD1-CG1 3.84Å; L543-I547 HydrophobicContact CD2-CD1 4.34Å; L543-I547 HydrophobicContact CG-CD1 3.73Å; L543-I547 HydrophobicContact CG-CG1 4.3Å; L543-I547 WeakPolarHBondContact O-CG1 3.01Å; L543-I547 PolarHBondContact O-N 2.99Å
544	K	67.9	Low	64.3	Low	115 Å²	115	87.9 Å²	87.9	50%	0.5	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-39.6	175.9	-73.4	-179.7	176.3	-174.2	0	112.4	V540 H546 Y548 I568	V540-K544 HydrophobicContact CG1-CD 4.24Å; V540-K544 HydrophobicContact CG1-CG 4.41Å; V540-K544 WeakPolarHBondContact O-CG 3.46Å; V540-K544 PolarHBondContact O-N 2.84Å; K544-H546 VanDerWaalsContact C-N 3.32Å; K544-H546 PolarHBondContact O-N 2.87Å; K544-Y548 WeakPolarHBondContact O-CB 3.36Å; K544-Y548 PolarHBondContact O-N 3.34Å; K544-Y548 VanDerWaalsContact O-N 3.16Å; K544-I568 HydrophobicContact CB-CG2 4.25Å
545	L	68.8	Low	63.7	Low	65 Å²	65	86.5 Å²	86.5	34%	0.34	42%	0.419	S	S	.	.	H	α-helix	trans	-58.6	-41.9	172.8	-114.7	164.1	0	0	0	112.6	N541 R542 L543 K549 I568	N541-L545 WeakPolarHBondContact O-CB 3.24Å; N541-L545 PolarHBondContact O-N 2.88Å; N541-L545 VanDerWaalsContact O-N 3.16Å; R542-L545 VanDerWaalsContact O-CB 3.27Å; R542-L545 WeakPolarHBondContact O-CB 3.42Å; R542-L545 PolarHBondContact O-N 3.43Å; L543-L545 VanDerWaalsContact C-N 3.29Å; L543-L545 PolarHBondContact O-N 3.34Å; L545-K549 HydrophobicContact CD2-CD 4.46Å; L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 WeakPolarHBondContact O-CG 3.37Å; L545-K549 PolarHBondContact O-N 3.32Å; L545-I568 HydrophobicContact CD1-CD1 4.09Å; L545-I568 HydrophobicContact CD2-CD1 3.86Å; L545-I568 HydrophobicContact CD2-CG1 4.38Å; L545-I568 HydrophobicContact CG-CD1 3.64Å; L545-I568 HydrophobicContact CG-CG1 3.99Å
546	H	74.9	Confident	62.7	Low	17 Å²	17	83.8 Å²	83.8	8%	0.079	41%	0.414	C	S	.	.	H	α-helix	trans	-77.1	-50.2	-178.2	161	72.6	0	0	0	112.5	C530 C533 F537 R542 L543 K544 Y548 K549 T550 H551	C530-H546 VanDerWaalsContact CB-CD2 3.44Å; C530-H546 WeakPolarHBondContact CB-CD2 3.26Å; C530-H546 WeakPolarHBondContact CB-NE2 3.37Å; C530-H546 PolarHBondContact SG-CD2 3.25Å; C530-H546 PolarHBondContact SG-NE2 2.98Å; C533-H546 PolarHBondContact SG-CE1 2.77Å; C533-H546 PolarHBondContact SG-NE2 3.36Å; C533-H546 VanDerWaalsContact SG-NE2 3.43Å; F537-H546 HydrophobicContact CD2-CB 4.49Å; F537-H546 HydrophobicContact CE1-CB 3.78Å; F537-H546 HydrophobicContact CE2-CB 3.75Å; F537-H546 AromaticContact CE2-CD2 3.11Å; F537-H546 WeakPolarHBondContact CE2-CD2 3.46Å; F537-H546 AromaticContact CE2-CG 3.43Å; F537-H546 VanDerWaalsContact CE2-CG 3.43Å; F537-H546 AromaticContact CE2-NE2 3.76Å; F537-H546 HydrophobicContact CZ-CB 3.35Å; F537-H546 AromaticContact CZ-CD2 3.39Å; F537-H546 WeakPolarHBondContact CZ-CD2 3.37Å; F537-H546 AromaticContact CZ-CG 3.15Å; F537-H546 AromaticContact CZ-ND1 3.67Å; F537-H546 AromaticContact CZ-NE2 3.98Å; R542-H546 WeakPolarHBondContact O-CB 3.25Å; R542-H546 PolarHBondContact O-N 3.14Å; L543-H546 PolarHBondContact O-N 3.41Å; K544-H546 VanDerWaalsContact C-N 3.32Å; K544-H546 PolarHBondContact O-N 2.87Å; H546-Y548 CarbonylContact O-C 3.56Å; H546-Y548 PolarHBondContact O-N 3.48Å; H546-Y548 VanDerWaalsContact O-N 3.07Å; H546-K549 PolarHBondContact O-N 3.16Å; H546-T550 PolarHBondContact CE1-OG1 3.4Å; H546-T550 PolarHBondContact ND1-OG1 3.39Å; H546-T550 PolarHBondContact O-N 2.82Å; H546-T550 PolarHBondContact O-OG1 3.25Å; H546-H551 AromaticContact CE1-CD2 3.91Å; H546-H551 AromaticContact CE1-NE2 3.45Å; H546-H551 PolarHBondContact CE1-NE2 2.95Å; H546-H551 AromaticContact NE2-CD2 3.62Å; H546-H551 AromaticContact NE2-NE2 3.3Å; H546-H551 PolarHBondContact NE2-NE2 3.13Å
547	I	68	Low	62	Low	33 Å²	33	83 Å²	83	17%	0.169	40%	0.401	C	S	.	.	H	α-helix	trans	-47.9	-40.6	172.2	-70.2	170	0	0	0	110.5	C530 L543 H551 L552 G553	C530-I547 VanDerWaalsContact SG-CG1 3.59Å; L543-I547 HydrophobicContact CD1-CD1 3.69Å; L543-I547 HydrophobicContact CD1-CG1 3.84Å; L543-I547 HydrophobicContact CD2-CD1 4.34Å; L543-I547 HydrophobicContact CG-CD1 3.73Å; L543-I547 HydrophobicContact CG-CG1 4.3Å; L543-I547 WeakPolarHBondContact O-CG1 3.01Å; L543-I547 PolarHBondContact O-N 2.99Å; I547-H551 CarbonylContact O-C 3.58Å; I547-H551 WeakPolarHBondContact O-CA 3.41Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.48Å; I547-H551 VanDerWaalsContact O-N 3.13Å; I547-L552 PolarHBondContact O-N 2.84Å; I547-G553 PolarHBondContact O-N 3.23Å
548	Y	64.6	Low	61.6	Low	67 Å²	67	85 Å²	85	26%	0.263	41%	0.41	S	S	.	.	H	α-helix	trans	-70	-51.3	173.6	178.1	-115	0	0	0	114.2	K544 H546 T550 I557 R566	K544-Y548 WeakPolarHBondContact O-CB 3.36Å; K544-Y548 PolarHBondContact O-N 3.34Å; K544-Y548 VanDerWaalsContact O-N 3.16Å; H546-Y548 CarbonylContact O-C 3.56Å; H546-Y548 PolarHBondContact O-N 3.48Å; H546-Y548 VanDerWaalsContact O-N 3.07Å; Y548-T550 VanDerWaalsContact C-N 3.34Å; Y548-T550 PolarHBondContact O-N 2.82Å; Y548-I557 HydrophobicContact CD1-CD1 3.58Å; Y548-I557 HydrophobicContact CD2-CD1 3.11Å; Y548-I557 HydrophobicContact CE1-CD1 3.79Å; Y548-I557 HydrophobicContact CE2-CD1 3.36Å; Y548-I557 HydrophobicContact CG-CD1 3.22Å; Y548-R566 WeakPolarHBondContact OH-CD 3.26Å; Y548-R566 PolarHBondContact OH-NH1 3.09Å
549	K	66.8	Low	62	Low	165 Å²	165	84.7 Å²	84.7	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-65.2	-30.6	-174.8	-86.8	-169.5	170.7	-161.5	0	114.6	L545 H546	L545-K549 HydrophobicContact CD2-CD 4.46Å; L545-K549 WeakPolarHBondContact O-CB 3.43Å; L545-K549 WeakPolarHBondContact O-CG 3.37Å; L545-K549 PolarHBondContact O-N 3.32Å; H546-K549 PolarHBondContact O-N 3.16Å
550	T	66.2	Low	62.4	Low	81 Å²	81	83.5 Å²	83.5	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-120.1	-21.6	-171.5	55	0	0	0	0	114.3	H546 Y548	H546-T550 PolarHBondContact CE1-OG1 3.4Å; H546-T550 PolarHBondContact ND1-OG1 3.39Å; H546-T550 PolarHBondContact O-N 2.82Å; H546-T550 PolarHBondContact O-OG1 3.25Å; Y548-T550 VanDerWaalsContact C-N 3.34Å; Y548-T550 PolarHBondContact O-N 2.82Å
551	H	67.2	Low	62.4	Low	42 Å²	42	89.5 Å²	89.5	19%	0.194	42%	0.422	C	S	.	.	H	α-helix	trans	-122.6	18.3	-170.9	-55.3	-59.2	0	0	0	113.5	C530 H532 C533 H546 I547 G553	C530-H551 PolarHBondContact SG-CD2 2.83Å; H532-H551 HydrophobicContact CB-CB 3.88Å; H532-H551 WeakPolarHBondContact CB-ND1 3.44Å; H532-H551 AromaticContact CD2-CG 3.9Å; H532-H551 AromaticContact CG-CG 3.85Å; C533-H551 PolarHBondContact SG-NE2 3.4Å; H546-H551 AromaticContact CE1-CD2 3.91Å; H546-H551 AromaticContact CE1-NE2 3.45Å; H546-H551 PolarHBondContact CE1-NE2 2.95Å; H546-H551 AromaticContact NE2-CD2 3.62Å; H546-H551 AromaticContact NE2-NE2 3.3Å; H546-H551 PolarHBondContact NE2-NE2 3.13Å; I547-H551 CarbonylContact O-C 3.58Å; I547-H551 WeakPolarHBondContact O-CA 3.41Å; I547-H551 WeakPolarHBondContact O-CB 3.26Å; I547-H551 PolarHBondContact O-N 3.48Å; I547-H551 VanDerWaalsContact O-N 3.13Å; H551-G553 PolarHBondContact O-N 2.97Å
552	L	57.3	Low	62.8	Low	150 Å²	150	90 Å²	90	79%	0.785	42%	0.418	S	S	*	.			trans	51.5	27.9	175.8	-62.2	169.9	0	0	0	113.9	I547 R554	I547-L552 PolarHBondContact O-N 2.84Å; L552-R554 PolarHBondContact O-N 3.29Å
553	G	47	Very low	63	Low	13 Å²	13	84 Å²	84	13%	0.134	40%	0.4	C	S	.	.			trans	-59.5	129.2	-167	0	0	0	0	0	114.6	I547 H551 C555	I547-G553 PolarHBondContact O-N 3.23Å; H551-G553 PolarHBondContact O-N 2.97Å; G553-C555 PolarHBondContact O-N 3.31Å
554	R	43.6	Very low	62.7	Low	239 Å²	239	88.7 Å²	88.7	90%	0.902	43%	0.432	S	S	*	.			trans	-75.4	47.9	-170.7	-60.3	176.4	179.4	151.7	0.3	114.5	L552	L552-R554 PolarHBondContact O-N 3.29Å
555	C	41.8	Very low	62.2	Low	77 Å²	77	89.6 Å²	89.6	52%	0.52	43%	0.432	S	S	.	.			trans	-98.4	160	-178.8	-67.4	0	0	0	0	113.9	G553 I557	G553-C555 PolarHBondContact O-N 3.31Å; C555-I557 PolarHBondContact O-N 2.98Å
556	T	48.8	Very low	62	Low	78 Å²	78	93.3 Å²	93.3	48%	0.479	44%	0.442	S	S	.	.			trans	-65.6	109.7	176.2	35.1	0	0	0	0	111.6
557	I	52.8	Low	61.4	Low	42 Å²	42	94.3 Å²	94.3	22%	0.215	45%	0.446	C	S	.	.			trans	-122.2	129	179.3	-77.4	170.8	0	0	0	109.7	Y548 C555 M559 R566	Y548-I557 HydrophobicContact CD1-CD1 3.58Å; Y548-I557 HydrophobicContact CD2-CD1 3.11Å; Y548-I557 HydrophobicContact CE1-CD1 3.79Å; Y548-I557 HydrophobicContact CE2-CD1 3.36Å; Y548-I557 HydrophobicContact CG-CD1 3.22Å; C555-I557 PolarHBondContact O-N 2.98Å; I557-M559 PolarHBondContact O-N 3.46Å; I557-R566 HydrophobicContact CG2-CB 3.79Å; I557-R566 HydrophobicContact CG2-CG 4.5Å
558	F	58.6	Low	60.8	Low	79 Å²	79	96.3 Å²	96.3	35%	0.346	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	108	-177.5	-63.7	-93.9	0	0	0	107.8	F567 S570 L573	F558-F567 HydrophobicContact CB-CB 4.32Å; F558-F567 PolarHBondContact N-O 2.94Å; F558-F567 WeakPolarHBondContact O-CD2 3.43Å; F558-F567 PolarHBondContact O-N 2.8Å; F558-S570 VanDerWaalsContact CE2-N 3.35Å; F558-L573 HydrophobicContact CB-CB 3.65Å; F558-L573 HydrophobicContact CB-CD2 3.79Å; F558-L573 HydrophobicContact CB-CG 4.3Å; F558-L573 HydrophobicContact CD1-CD2 4.38Å
559	M	66.5	Low	60.8	Low	116 Å²	116	95.9 Å²	95.9	57%	0.571	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	145.6	175.6	-55.4	-163.3	-62.7	0	0	109.8	I557 R566	I557-M559 PolarHBondContact O-N 3.46Å; M559-R566 HydrophobicContact CG-CG 4.15Å
560	C	73.6	Confident	60.9	Low	12 Å²	12	90.6 Å²	90.6	8%	0.081	45%	0.447	C	S	.	.			trans	-72.9	133.1	169.6	-170.7	0	0	0	0	110.5	K562 C563 R565 L573 H576 H581	C560-K562 VanDerWaalsContact C-N 3.25Å; C560-K562 PolarHBondContact O-N 3.39Å; C560-K562 PolarHBondContact SG-N 3.13Å; C560-C563 WeakPolarHBondContact CB-O 3.38Å; C560-C563 VanDerWaalsContact O-O 3.06Å; C560-R565 PolarHBondContact N-O 3.11Å; C560-L573 HydrophobicContact CB-CD1 3.96Å; C560-H576 VanDerWaalsContact CB-NE2 3.31Å; C560-H576 WeakPolarHBondContact CB-NE2 3.43Å; C560-H576 PolarHBondContact SG-NE2 3.27Å; C560-H576 VanDerWaalsContact SG-NE2 3.35Å; C560-H581 PolarHBondContact SG-CD2 3.04Å; C560-H581 PolarHBondContact SG-NE2 3.05Å; C560-H581 VanDerWaalsContact SG-NE2 3.45Å
561	R	68.3	Low	61	Low	194 Å²	194	92.1 Å²	92.1	73%	0.732	45%	0.45	S	S	*	.	S	Bend	trans	-67.9	-25.8	171.9	-72.5	-176.5	173.6	179.1	-3.8	112.2	C886	R561-C886 PolarHBondContact NH1-O 2.88Å
562	K	70.5	Confident	61.1	Low	121 Å²	121	91.1 Å²	91.1	53%	0.526	45%	0.451	S	S	.	.	S	Bend	trans	-104.2	-1.9	-176.1	-53.6	-157.6	-146.5	174.8	0	115.3	C560 H581 C583	C560-K562 VanDerWaalsContact C-N 3.25Å; C560-K562 PolarHBondContact O-N 3.39Å; C560-K562 PolarHBondContact SG-N 3.13Å; K562-H581 HydrophobicContact CB-CB 4.32Å; K562-H581 VanDerWaalsContact CB-ND1 3.31Å; K562-H581 WeakPolarHBondContact CB-ND1 3.42Å; K562-H581 HydrophobicContact CD-CB 3.86Å; K562-H581 HydrophobicContact CG-CB 4.43Å; K562-H581 PolarHBondContact NZ-O 3.26Å; K562-H581 PolarHBondContact O-CE1 2.96Å; K562-H581 VanDerWaalsContact O-CE1 3.23Å; K562-C583 PolarHBondContact NZ-SG 3.42Å
563	C	74.3	Confident	62	Low	31 Å²	31	85.6 Å²	85.6	21%	0.209	42%	0.422	C	S	.	.	S	Bend	trans	-161.7	166	170.4	93.5	0	0	0	0	113.2	C560 R565 H576	C560-C563 WeakPolarHBondContact CB-O 3.38Å; C560-C563 VanDerWaalsContact O-O 3.06Å; C563-R565 PolarHBondContact O-N 3.07Å; C563-H576 PolarHBondContact SG-CE1 2.84Å; C563-H576 PolarHBondContact SG-NE2 3.26Å
564	P	69.3	Low	63.1	Low	126 Å²	126	91.4 Å²	91.4	82%	0.818	44%	0.444	S	S	*	.	S	Bend	trans	-73.2	8.8	-174.2	29.9	-36.1	0	0	0	115.9
565	R	58.1	Low	64.2	Low	133 Å²	133	87 Å²	87	50%	0.502	43%	0.427	S	S	.	.			trans	-75.2	147.3	179.5	-70	-174.7	172.8	-169	-1.8	112.4	C560 C563 F567	C560-R565 PolarHBondContact N-O 3.11Å; C563-R565 PolarHBondContact O-N 3.07Å; R565-F567 HydrophobicContact CB-CE2 3.61Å; R565-F567 HydrophobicContact CB-CZ 3.6Å
566	R	62.6	Low	65.8	Low	144 Å²	144	84 Å²	84	54%	0.543	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.9	-170.1	-60.8	-174	176.2	166.2	-2.7	111.1	Y548 I557 M559	Y548-R566 WeakPolarHBondContact OH-CD 3.26Å; Y548-R566 PolarHBondContact OH-NH1 3.09Å; I557-R566 HydrophobicContact CG2-CB 3.79Å; I557-R566 HydrophobicContact CG2-CG 4.5Å; M559-R566 HydrophobicContact CG-CG 4.15Å
567	F	62.3	Low	66.9	Low	38 Å²	38	82.2 Å²	82.2	17%	0.167	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	-167.6	-58.3	-85.3	0	0	0	113	F558 R565 S569 G572 L573 H576	F558-F567 HydrophobicContact CB-CB 4.32Å; F558-F567 PolarHBondContact N-O 2.94Å; F558-F567 WeakPolarHBondContact O-CD2 3.43Å; F558-F567 PolarHBondContact O-N 2.8Å; R565-F567 HydrophobicContact CB-CE2 3.61Å; R565-F567 HydrophobicContact CB-CZ 3.6Å; F567-S569 VanDerWaalsContact C-N 3.26Å; F567-S569 PolarHBondContact O-N 3Å; F567-G572 WeakPolarHBondContact CD1-O 3.35Å; F567-L573 HydrophobicContact CB-CB 4.23Å; F567-L573 HydrophobicContact CD2-CB 4.15Å; F567-L573 HydrophobicContact CD2-CD1 4.05Å; F567-L573 HydrophobicContact CE2-CD1 4.39Å; F567-L573 HydrophobicContact CG-CB 4.32Å; F567-H576 HydrophobicContact CD1-CB 4.47Å; F567-H576 HydrophobicContact CE1-CB 3.66Å; F567-H576 HydrophobicContact CE2-CB 3.8Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.47Å; F567-H576 AromaticContact CE2-CG 3.56Å; F567-H576 AromaticContact CE2-NE2 3.98Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.3Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.44Å; F567-H576 AromaticContact CZ-CG 3.18Å; F567-H576 AromaticContact CZ-ND1 3.98Å
568	I	56.9	Low	67.6	Low	75 Å²	75	83.4 Å²	83.4	39%	0.385	40%	0.401	S	S	.	.	S	Bend	trans	-81.4	-5.9	-175.8	-44.5	96	0	0	0	112	K544 L545	K544-I568 HydrophobicContact CB-CG2 4.25Å; L545-I568 HydrophobicContact CD1-CD1 4.09Å; L545-I568 HydrophobicContact CD2-CD1 3.86Å; L545-I568 HydrophobicContact CD2-CG1 4.38Å; L545-I568 HydrophobicContact CG-CD1 3.64Å; L545-I568 HydrophobicContact CG-CG1 3.99Å
569	S	63.4	Low	67.8	Low	57 Å²	57	82 Å²	82	40%	0.399	40%	0.397	S	S	.	.	S	Bend	trans	-151.1	154.1	177.1	66.9	0	0	0	0	111.6	F567 M571 G572 L573	F567-S569 VanDerWaalsContact C-N 3.26Å; F567-S569 PolarHBondContact O-N 3Å; S569-M571 VanDerWaalsContact C-N 3.25Å; S569-M571 PolarHBondContact O-N 2.74Å; S569-G572 WeakPolarHBondContact O-CA 3.44Å; S569-G572 PolarHBondContact O-N 3.1Å; S569-G572 PolarHBondContact OG-N 2.72Å; S569-G572 VanDerWaalsContact OG-N 3.15Å; S569-L573 PolarHBondContact O-N 2.91Å; S569-L573 VanDerWaalsContact O-N 3.11Å
570	S	68.9	Low	67.7	Low	55 Å²	55	84.1 Å²	84.1	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-56	-41.2	173.4	179	0	0	0	0	111.4	F558 G572 L573 K574	F558-S570 VanDerWaalsContact CE2-N 3.35Å; S570-G572 VanDerWaalsContact C-N 3.29Å; S570-G572 PolarHBondContact O-N 3.34Å; S570-L573 PolarHBondContact O-N 3.28Å; S570-L573 VanDerWaalsContact O-N 3.14Å; S570-K574 PolarHBondContact O-N 3.09Å
571	M	69.4	Low	67.3	Low	112 Å²	112	85 Å²	85	55%	0.552	40%	0.401	S	S	*	.	H	α-helix	trans	-59.3	-36.9	174.1	-175.1	61.2	70.2	0	0	112.9	S569 R575	S569-M571 VanDerWaalsContact C-N 3.25Å; S569-M571 PolarHBondContact O-N 2.74Å; M571-R575 WeakPolarHBondContact O-CB 3.39Å; M571-R575 WeakPolarHBondContact O-CG 3.26Å; M571-R575 PolarHBondContact O-N 2.89Å; M571-R575 VanDerWaalsContact O-N 3.1Å
572	G	68.9	Low	66.6	Low	21 Å²	21	87.7 Å²	87.7	22%	0.216	41%	0.411	C	S	.	.	H	α-helix	trans	-67.4	-40.7	174.6	0	0	0	0	0	112.6	F567 S569 S570 H576	F567-G572 WeakPolarHBondContact CD1-O 3.35Å; S569-G572 WeakPolarHBondContact O-CA 3.44Å; S569-G572 PolarHBondContact O-N 3.1Å; S569-G572 PolarHBondContact OG-N 2.72Å; S569-G572 VanDerWaalsContact OG-N 3.15Å; S570-G572 VanDerWaalsContact C-N 3.29Å; S570-G572 PolarHBondContact O-N 3.34Å; G572-H576 PolarHBondContact O-N 3.08Å
573	L	76.3	Confident	65	Low	34 Å²	34	84.2 Å²	84.2	18%	0.178	40%	0.402	C	S	.	.	H	α-helix	trans	-66.3	-50.8	173.5	172.4	62.4	0	0	0	111.6	F558 C560 F567 S569 S570 R575 H576 V577	F558-L573 HydrophobicContact CB-CB 3.65Å; F558-L573 HydrophobicContact CB-CD2 3.79Å; F558-L573 HydrophobicContact CB-CG 4.3Å; F558-L573 HydrophobicContact CD1-CD2 4.38Å; C560-L573 HydrophobicContact CB-CD1 3.96Å; F567-L573 HydrophobicContact CB-CB 4.23Å; F567-L573 HydrophobicContact CD2-CB 4.15Å; F567-L573 HydrophobicContact CD2-CD1 4.05Å; F567-L573 HydrophobicContact CE2-CD1 4.39Å; F567-L573 HydrophobicContact CG-CB 4.32Å; S569-L573 PolarHBondContact O-N 2.91Å; S569-L573 VanDerWaalsContact O-N 3.11Å; S570-L573 PolarHBondContact O-N 3.28Å; S570-L573 VanDerWaalsContact O-N 3.14Å; L573-R575 PolarHBondContact O-N 3.2Å; L573-H576 CarbonylContact O-C 3.58Å; L573-H576 PolarHBondContact O-N 2.96Å; L573-V577 HydrophobicContact CD1-CG2 3.72Å; L573-V577 HydrophobicContact CG-CG2 4.18Å; L573-V577 WeakPolarHBondContact O-CG2 3.17Å; L573-V577 PolarHBondContact O-N 3.07Å
574	K	70.8	Confident	63.3	Low	136 Å²	136	89.9 Å²	89.9	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-52.3	-53.7	179	-79.2	-164.6	171.8	-163.8	0	110.6	S570 H576 V577 N578	S570-K574 PolarHBondContact O-N 3.09Å; K574-H576 VanDerWaalsContact C-N 3.31Å; K574-H576 PolarHBondContact O-N 2.96Å; K574-V577 PolarHBondContact O-N 2.94Å; K574-V577 VanDerWaalsContact O-N 3.08Å; K574-N578 PolarHBondContact O-N 3.35Å; K574-N578 PolarHBondContact O-OD1 3.18Å
575	R	66.3	Low	62.1	Low	147 Å²	147	93.1 Å²	93.1	56%	0.555	43%	0.43	S	S	*	.	H	α-helix	trans	-51.8	-48.6	175	-74.2	178.6	-177	-174.6	-1.7	112.2	M571 L573 V577 N578 L579	M571-R575 WeakPolarHBondContact O-CB 3.39Å; M571-R575 WeakPolarHBondContact O-CG 3.26Å; M571-R575 PolarHBondContact O-N 2.89Å; M571-R575 VanDerWaalsContact O-N 3.1Å; L573-R575 PolarHBondContact O-N 3.2Å; R575-V577 PolarHBondContact O-N 3.03Å; R575-N578 PolarHBondContact O-N 2.91Å; R575-L579 HydrophobicContact CB-CD1 4.29Å; R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 VanDerWaalsContact O-CD1 3.26Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 WeakPolarHBondContact O-CG 3.45Å; R575-L579 PolarHBondContact O-N 2.53Å
576	H	76.1	Confident	61.5	Low	13 Å²	13	88 Å²	88	6%	0.06	42%	0.415	C	S	.	.	H	α-helix	trans	-65	-37	179	165.4	54.9	0	0	0	114	C560 C563 F567 G572 L573 K574 L579 R580 H581	C560-H576 VanDerWaalsContact CB-NE2 3.31Å; C560-H576 WeakPolarHBondContact CB-NE2 3.43Å; C560-H576 PolarHBondContact SG-NE2 3.27Å; C560-H576 VanDerWaalsContact SG-NE2 3.35Å; C563-H576 PolarHBondContact SG-CE1 2.84Å; C563-H576 PolarHBondContact SG-NE2 3.26Å; F567-H576 HydrophobicContact CD1-CB 4.47Å; F567-H576 HydrophobicContact CE1-CB 3.66Å; F567-H576 HydrophobicContact CE2-CB 3.8Å; F567-H576 AromaticContact CE2-CD2 3.15Å; F567-H576 WeakPolarHBondContact CE2-CD2 3.47Å; F567-H576 AromaticContact CE2-CG 3.56Å; F567-H576 AromaticContact CE2-NE2 3.98Å; F567-H576 HydrophobicContact CZ-CB 3.28Å; F567-H576 AromaticContact CZ-CD2 3.3Å; F567-H576 WeakPolarHBondContact CZ-CD2 3.44Å; F567-H576 AromaticContact CZ-CG 3.18Å; F567-H576 AromaticContact CZ-ND1 3.98Å; G572-H576 PolarHBondContact O-N 3.08Å; L573-H576 CarbonylContact O-C 3.58Å; L573-H576 PolarHBondContact O-N 2.96Å; K574-H576 VanDerWaalsContact C-N 3.31Å; K574-H576 PolarHBondContact O-N 2.96Å; H576-L579 PolarHBondContact O-N 3.14Å; H576-R580 VanDerWaalsContact CE1-CB 3.49Å; H576-R580 WeakPolarHBondContact CE1-CB 3.47Å; H576-R580 WeakPolarHBondContact O-CB 3.36Å; H576-R580 PolarHBondContact O-N 3.34Å; H576-H581 AromaticContact CE1-CD2 3.75Å; H576-H581 AromaticContact CE1-NE2 3.43Å; H576-H581 PolarHBondContact CE1-NE2 3.42Å; H576-H581 AromaticContact NE2-CD2 3.71Å; H576-H581 AromaticContact NE2-NE2 3.42Å; H576-H581 PolarHBondContact NE2-NE2 3.15Å
577	V	71.5	Confident	61.1	Low	40 Å²	40	88.4 Å²	88.4	24%	0.242	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-52.2	175.7	172.7	0	0	0	0	109.8	L573 K574 R575 L579 H581	L573-V577 HydrophobicContact CD1-CG2 3.72Å; L573-V577 HydrophobicContact CG-CG2 4.18Å; L573-V577 WeakPolarHBondContact O-CG2 3.17Å; L573-V577 PolarHBondContact O-N 3.07Å; K574-V577 PolarHBondContact O-N 2.94Å; K574-V577 VanDerWaalsContact O-N 3.08Å; R575-V577 PolarHBondContact O-N 3.03Å; V577-L579 VanDerWaalsContact C-N 3.28Å; V577-L579 PolarHBondContact O-N 3.43Å; V577-H581 WeakPolarHBondContact O-CA 3.3Å; V577-H581 VanDerWaalsContact O-CB 3.3Å; V577-H581 WeakPolarHBondContact O-CB 3.31Å; V577-H581 PolarHBondContact O-N 3.2Å
578	N	67.2	Low	61.2	Low	67 Å²	67	88.4 Å²	88.4	36%	0.358	43%	0.429	S	S	.	.	H	α-helix	trans	-55.8	-43.9	177.3	-63.4	43.7	0	0	0	111.5	K574 R575	K574-N578 PolarHBondContact O-N 3.35Å; K574-N578 PolarHBondContact O-OD1 3.18Å; R575-N578 PolarHBondContact O-N 2.91Å
579	L	62.4	Low	61.6	Low	51 Å²	51	89 Å²	89	27%	0.267	43%	0.432	S	S	.	.	H	α-helix	trans	-89.3	-6.4	-170.3	-67.1	163	0	0	0	116.4	R575 H576 V577 F597 L598	R575-L579 HydrophobicContact CB-CD1 4.29Å; R575-L579 VanDerWaalsContact O-CB 3.23Å; R575-L579 WeakPolarHBondContact O-CB 3.37Å; R575-L579 VanDerWaalsContact O-CD1 3.26Å; R575-L579 WeakPolarHBondContact O-CD1 3.38Å; R575-L579 WeakPolarHBondContact O-CG 3.45Å; R575-L579 PolarHBondContact O-N 2.53Å; H576-L579 PolarHBondContact O-N 3.14Å; V577-L579 VanDerWaalsContact C-N 3.28Å; V577-L579 PolarHBondContact O-N 3.43Å; L579-F597 WeakPolarHBondContact CD2-O 3.4Å; L579-L598 HydrophobicContact CB-CD1 4.41Å; L579-L598 HydrophobicContact CD1-CB 4.37Å; L579-L598 HydrophobicContact CD1-CD1 3.8Å; L579-L598 HydrophobicContact CD1-CG 3.8Å
580	R	63.7	Low	62.2	Low	159 Å²	159	86.3 Å²	86.3	60%	0.6	41%	0.413	S	S	*	.	H	α-helix	trans	-133.4	-6.9	-179.3	-104	-94	176.8	153.3	-7.7	114.1	H576	H576-R580 VanDerWaalsContact CE1-CB 3.49Å; H576-R580 WeakPolarHBondContact CE1-CB 3.47Å; H576-R580 WeakPolarHBondContact O-CB 3.36Å; H576-R580 PolarHBondContact O-N 3.34Å
581	H	66.8	Low	62.3	Low	31 Å²	31	88.5 Å²	88.5	14%	0.144	43%	0.427	C	S	.	.	S	Bend	trans	-136.7	21.7	-166.2	-68.1	-55.2	0	0	0	115.1	C560 K562 H576 V577 C583	C560-H581 PolarHBondContact SG-CD2 3.04Å; C560-H581 PolarHBondContact SG-NE2 3.05Å; C560-H581 VanDerWaalsContact SG-NE2 3.45Å; K562-H581 HydrophobicContact CB-CB 4.32Å; K562-H581 VanDerWaalsContact CB-ND1 3.31Å; K562-H581 WeakPolarHBondContact CB-ND1 3.42Å; K562-H581 HydrophobicContact CD-CB 3.86Å; K562-H581 HydrophobicContact CG-CB 4.43Å; K562-H581 PolarHBondContact NZ-O 3.26Å; K562-H581 PolarHBondContact O-CE1 2.96Å; K562-H581 VanDerWaalsContact O-CE1 3.23Å; H576-H581 AromaticContact CE1-CD2 3.75Å; H576-H581 AromaticContact CE1-NE2 3.43Å; H576-H581 PolarHBondContact CE1-NE2 3.42Å; H576-H581 AromaticContact NE2-CD2 3.71Å; H576-H581 AromaticContact NE2-NE2 3.42Å; H576-H581 PolarHBondContact NE2-NE2 3.15Å; V577-H581 WeakPolarHBondContact O-CA 3.3Å; V577-H581 VanDerWaalsContact O-CB 3.3Å; V577-H581 WeakPolarHBondContact O-CB 3.31Å; V577-H581 PolarHBondContact O-N 3.2Å; H581-C583 PolarHBondContact O-N 2.7Å; H581-C583 PolarHBondContact O-SG 2.85Å
582	R	51.9	Low	62.3	Low	250 Å²	250	88.6 Å²	88.6	94%	0.943	43%	0.428	S	S	*	.			trans	41.2	62.9	172.6	-73.5	-170	175.9	-175.5	-0.7	113
583	C	36.9	Very low	62.7	Low	48 Å²	48	90.1 Å²	90.1	32%	0.324	44%	0.435	S	S	.	.			trans	-134.9	117.4	168.8	-63.4	0	0	0	0	109.6	K562 H581	K562-C583 PolarHBondContact NZ-SG 3.42Å; H581-C583 PolarHBondContact O-N 2.7Å; H581-C583 PolarHBondContact O-SG 2.85Å
584	I	40	Very low	62.7	Low	151 Å²	151	96.1 Å²	96.1	77%	0.774	46%	0.462	S	S	*	.	S	Bend	trans	71.8	138.4	171.5	-52.5	169.9	0	0	0	114.9
585	K	43.7	Very low	62.7	Low	193 Å²	193	92.4 Å²	92.4	84%	0.839	45%	0.451	S	S	*	.			trans	-46.7	137.1	-175.9	-62.8	177.8	179.2	178.6	0	112.2
586	S	44.7	Very low	62.8	Low	27 Å²	27	91 Å²	91	19%	0.189	45%	0.454	C	S	.	.			trans	-122.2	110.7	169.6	63.8	0	0	0	0	110.3	N588 L596	S586-N588 PolarHBondContact O-N 2.98Å; S586-L596 WeakPolarHBondContact OG-CD2 3.42Å
587	N	55.3	Low	62.4	Low	151 Å²	151	92.1 Å²	92.1	81%	0.807	46%	0.458	S	S	*	.	S	Bend	trans	-69.7	25	-176.5	-49.8	26.6	0	0	0	114
588	N	63.5	Low	61.8	Low	39 Å²	39	96.2 Å²	96.2	21%	0.209	48%	0.478	C	S	.	.			trans	-115.7	48.1	176.3	-54.5	-93.9	0	0	0	109.4	S586 F597 N599 L600	S586-N588 PolarHBondContact O-N 2.98Å; N588-F597 HydrophobicContact CB-CB 4.09Å; N588-F597 PolarHBondContact O-N 2.85Å; N588-N599 VanDerWaalsContact OD1-C 3.31Å; N588-L600 VanDerWaalsContact OD1-CA 3.26Å; N588-L600 WeakPolarHBondContact OD1-CA 3.2Å; N588-L600 PolarHBondContact OD1-N 3.26Å
589	I	66.4	Low	61.7	Low	87 Å²	87	96 Å²	96	45%	0.446	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-88.6	140.7	172.3	-65.5	160.5	0	0	0	107.3	T595 L596	I589-T595 WeakPolarHBondContact CA-O 3.44Å; I589-L596 HydrophobicContact CD1-CD2 4.4Å; I589-L596 HydrophobicContact CG1-CD2 3.61Å
590	C	75.4	Confident	62.2	Low	0 Å²	0	98.4 Å²	98.4	0%	0	49%	0.49	C	S	.	.			trans	-75	124.8	165.8	-178.1	0	0	0	0	110	I592 Q594 T595 F597 L603 H606 H610	C590-I592 PolarHBondContact O-N 3.05Å; C590-I592 PolarHBondContact SG-N 3.44Å; C590-I592 VanDerWaalsContact SG-N 3.42Å; C590-Q594 WeakPolarHBondContact O-CA 3.18Å; C590-Q594 PolarHBondContact O-N 2.86Å; C590-T595 PolarHBondContact N-O 3.36Å; C590-F597 HydrophobicContact CB-CE2 4.09Å; C590-L603 HydrophobicContact CB-CD1 4.04Å; C590-H606 WeakPolarHBondContact CB-NE2 3.49Å; C590-H606 PolarHBondContact SG-NE2 3.09Å; C590-H606 VanDerWaalsContact SG-NE2 3.4Å; C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 2.91Å
591	P	70.1	Confident	62.5	Low	102 Å²	102	94.4 Å²	94.4	66%	0.662	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-28	177.2	25.6	-31.1	0	0	0	112.2	M607	P591-M607 HydrophobicContact CG-CE 4.11Å
592	I	71.1	Confident	62.7	Low	113 Å²	113	93.5 Å²	93.5	58%	0.579	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-35.6	-172.6	-57.6	169.9	0	0	0	112.5	C590 H610	C590-I592 PolarHBondContact O-N 3.05Å; C590-I592 PolarHBondContact SG-N 3.44Å; C590-I592 VanDerWaalsContact SG-N 3.42Å; I592-H610 HydrophobicContact CD1-CB 3.51Å; I592-H610 HydrophobicContact CG2-CB 4.41Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.2Å
593	C	77.2	Confident	63.9	Low	54 Å²	54	82.2 Å²	82.2	37%	0.365	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.8	18.4	-179.3	83.6	0	0	0	0	114.9	T595 H606	C593-T595 PolarHBondContact O-N 3Å; C593-T595 PolarHBondContact SG-OG1 2.76Å; C593-T595 VanDerWaalsContact SG-OG1 3.34Å; C593-H606 VanDerWaalsContact SG-CE1 3.53Å; C593-H606 PolarHBondContact SG-NE2 3.03Å
594	Q	75.3	Confident	65.6	Low	159 Å²	159	86.7 Å²	86.7	74%	0.743	46%	0.457	S	S	*	.			trans	58.2	7	172.1	-53.9	-176.4	6.6	0	0	116.9	C590	C590-Q594 WeakPolarHBondContact O-CA 3.18Å; C590-Q594 PolarHBondContact O-N 2.86Å
595	T	71.4	Confident	67.1	Low	59 Å²	59	86.8 Å²	86.8	36%	0.362	45%	0.447	S	S	.	.			trans	-69.8	145.2	-178.2	53.7	0	0	0	0	112.3	I589 C590 C593 F597 H606	I589-T595 WeakPolarHBondContact CA-O 3.44Å; C590-T595 PolarHBondContact N-O 3.36Å; C593-T595 PolarHBondContact O-N 3Å; C593-T595 PolarHBondContact SG-OG1 2.76Å; C593-T595 VanDerWaalsContact SG-OG1 3.34Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 VanDerWaalsContact O-CE2 3.27Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.2Å; T595-F597 VanDerWaalsContact OG1-CZ 3.26Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.44Å; T595-H606 PolarHBondContact OG1-NE2 3.32Å
596	L	67.4	Low	68.6	Low	118 Å²	118	78.6 Å²	78.6	62%	0.618	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-101.3	119.6	-168.1	-75.5	158.6	0	0	0	112.4	S586 I589	S586-L596 WeakPolarHBondContact OG-CD2 3.42Å; I589-L596 HydrophobicContact CD1-CD2 4.4Å; I589-L596 HydrophobicContact CG1-CD2 3.61Å
597	F	69.1	Low	69.9	Low	35 Å²	35	80.3 Å²	80.3	15%	0.154	42%	0.417	C	S	.	.			trans	-104	145.2	-171.4	-70.8	-79.2	0	0	0	116.2	L579 N588 C590 T595 N599 A602 L603 H606	L579-F597 WeakPolarHBondContact CD2-O 3.4Å; N588-F597 HydrophobicContact CB-CB 4.09Å; N588-F597 PolarHBondContact O-N 2.85Å; C590-F597 HydrophobicContact CB-CE2 4.09Å; T595-F597 WeakPolarHBondContact O-CD2 3.47Å; T595-F597 VanDerWaalsContact O-CE2 3.27Å; T595-F597 WeakPolarHBondContact O-CE2 3.49Å; T595-F597 WeakPolarHBondContact OG1-CE2 3.2Å; T595-F597 VanDerWaalsContact OG1-CZ 3.26Å; T595-F597 WeakPolarHBondContact OG1-CZ 3.44Å; F597-N599 PolarHBondContact O-N 3.38Å; F597-N599 VanDerWaalsContact O-N 3.15Å; F597-A602 HydrophobicContact CB-CB 4.2Å; F597-A602 HydrophobicContact CD1-CB 3.88Å; F597-A602 WeakPolarHBondContact CD1-O 3.43Å; F597-A602 HydrophobicContact CG-CB 4.45Å; F597-L603 HydrophobicContact CB-CB 4.02Å; F597-L603 HydrophobicContact CD2-CB 4.17Å; F597-L603 HydrophobicContact CD2-CD1 3.58Å; F597-L603 HydrophobicContact CE2-CD1 4.06Å; F597-L603 HydrophobicContact CG-CB 4.13Å; F597-L603 HydrophobicContact CG-CD1 4.38Å; F597-H606 HydrophobicContact CD1-CB 4.41Å; F597-H606 HydrophobicContact CE1-CB 3.61Å; F597-H606 AromaticContact CE1-CG 3.83Å; F597-H606 HydrophobicContact CE2-CB 4.02Å; F597-H606 AromaticContact CE2-CD2 3.25Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.46Å; F597-H606 AromaticContact CE2-CG 3.65Å; F597-H606 AromaticContact CE2-NE2 3.83Å; F597-H606 HydrophobicContact CZ-CB 3.41Å; F597-H606 VanDerWaalsContact CZ-CB 3.41Å; F597-H606 AromaticContact CZ-CD2 3.23Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.47Å; F597-H606 AromaticContact CZ-CE1 3.99Å; F597-H606 AromaticContact CZ-CG 3.11Å; F597-H606 AromaticContact CZ-ND1 3.64Å; F597-H606 AromaticContact CZ-NE2 3.77Å
598	L	58.3	Low	70.6	Confident	126 Å²	126	75.4 Å²	75.4	66%	0.66	39%	0.391	S	S	*	.	S	Bend	trans	-62	-23.4	-177.3	-139.8	81.9	0	0	0	114.1	L579	L579-L598 HydrophobicContact CB-CD1 4.41Å; L579-L598 HydrophobicContact CD1-CB 4.37Å; L579-L598 HydrophobicContact CD1-CD1 3.8Å; L579-L598 HydrophobicContact CD1-CG 3.8Å
599	N	65.2	Low	70.8	Confident	63 Å²	63	77.7 Å²	77.7	34%	0.337	40%	0.403	S	S	.	.	S	Bend	trans	-175.2	167.2	178.2	58.7	-28.6	0	0	0	110	N588 F597 S601 A602 L603	N588-N599 VanDerWaalsContact OD1-C 3.31Å; F597-N599 PolarHBondContact O-N 3.38Å; F597-N599 VanDerWaalsContact O-N 3.15Å; N599-S601 PolarHBondContact ND2-OG 3.48Å; N599-S601 PolarHBondContact O-N 2.86Å; N599-S601 VanDerWaalsContact O-N 3.14Å; N599-A602 WeakPolarHBondContact O-CA 3.26Å; N599-A602 WeakPolarHBondContact O-CB 3.48Å; N599-A602 PolarHBondContact O-N 3.18Å; N599-A602 VanDerWaalsContact OD1-CB 3.3Å; N599-A602 WeakPolarHBondContact OD1-CB 3.21Å; N599-A602 PolarHBondContact OD1-N 3.46Å; N599-L603 PolarHBondContact O-N 3.27Å
600	L	73.8	Confident	71	Confident	101 Å²	101	76.6 Å²	76.6	53%	0.529	40%	0.395	S	S	.	.	H	α-helix	trans	-55.5	-33.1	177.1	-173.4	61.8	0	0	0	112.9	N588 A602 L603 K604	N588-L600 VanDerWaalsContact OD1-CA 3.26Å; N588-L600 WeakPolarHBondContact OD1-CA 3.2Å; N588-L600 PolarHBondContact OD1-N 3.26Å; L600-A602 PolarHBondContact O-N 3.11Å; L600-L603 HydrophobicContact CD1-CD2 4.15Å; L600-L603 PolarHBondContact O-N 3.32Å; L600-K604 PolarHBondContact O-N 2.97Å
601	S	69.9	Low	70.4	Confident	76 Å²	76	78.2 Å²	78.2	53%	0.531	41%	0.407	S	S	.	.	H	α-helix	trans	-76.6	-2.9	175.4	-30.7	0	0	0	0	114.6	N599 R605	N599-S601 PolarHBondContact ND2-OG 3.48Å; N599-S601 PolarHBondContact O-N 2.86Å; N599-S601 VanDerWaalsContact O-N 3.14Å; S601-R605 PolarHBondContact O-NE 3.22Å; S601-R605 PolarHBondContact O-NH2 2.84Å
602	A	70.8	Confident	69.6	Low	12 Å²	12	78.7 Å²	78.7	10%	0.099	41%	0.413	C	S	.	.	H	α-helix	trans	-102.9	-31.5	165.5	0	0	0	0	0	111.1	F597 N599 L600 H606	F597-A602 HydrophobicContact CB-CB 4.2Å; F597-A602 HydrophobicContact CD1-CB 3.88Å; F597-A602 WeakPolarHBondContact CD1-O 3.43Å; F597-A602 HydrophobicContact CG-CB 4.45Å; N599-A602 WeakPolarHBondContact O-CA 3.26Å; N599-A602 WeakPolarHBondContact O-CB 3.48Å; N599-A602 PolarHBondContact O-N 3.18Å; N599-A602 VanDerWaalsContact OD1-CB 3.3Å; N599-A602 WeakPolarHBondContact OD1-CB 3.21Å; N599-A602 PolarHBondContact OD1-N 3.46Å; L600-A602 PolarHBondContact O-N 3.11Å; A602-H606 PolarHBondContact O-N 3.32Å
603	L	77	Confident	68.7	Low	13 Å²	13	77.5 Å²	77.5	7%	0.068	41%	0.405	C	S	.	.	H	α-helix	trans	-62.1	-52.7	168.8	179.7	63.5	0	0	0	111.5	C590 F597 N599 L600 R605 H606 M607	C590-L603 HydrophobicContact CB-CD1 4.04Å; F597-L603 HydrophobicContact CB-CB 4.02Å; F597-L603 HydrophobicContact CD2-CB 4.17Å; F597-L603 HydrophobicContact CD2-CD1 3.58Å; F597-L603 HydrophobicContact CE2-CD1 4.06Å; F597-L603 HydrophobicContact CG-CB 4.13Å; F597-L603 HydrophobicContact CG-CD1 4.38Å; N599-L603 PolarHBondContact O-N 3.27Å; L600-L603 HydrophobicContact CD1-CD2 4.15Å; L600-L603 PolarHBondContact O-N 3.32Å; L603-R605 VanDerWaalsContact C-N 3.35Å; L603-R605 PolarHBondContact O-N 3.07Å; L603-H606 CarbonylContact O-C 3.4Å; L603-H606 WeakPolarHBondContact O-CA 3.36Å; L603-H606 WeakPolarHBondContact O-CB 3.1Å; L603-H606 PolarHBondContact O-N 3.13Å; L603-M607 HydrophobicContact CD1-CE 3.73Å; L603-M607 HydrophobicContact CD1-SD 3.74Å; L603-M607 HydrophobicContact CD2-CE 3.93Å; L603-M607 HydrophobicContact CG-CE 3.76Å; L603-M607 HydrophobicContact CG-CG 4.46Å; L603-M607 HydrophobicContact CG-SD 4.1Å; L603-M607 WeakPolarHBondContact O-CG 3.23Å; L603-M607 PolarHBondContact O-N 3.45Å
604	K	72.7	Confident	67.8	Low	142 Å²	142	82.4 Å²	82.4	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-52.8	-51.2	177.5	-74.1	-154.6	172.1	-157	0	111.2	L600 H606 M607 D608	L600-K604 PolarHBondContact O-N 2.97Å; K604-H606 PolarHBondContact O-N 3.44Å; K604-M607 WeakPolarHBondContact O-CA 3.47Å; K604-M607 WeakPolarHBondContact O-CB 3.22Å; K604-M607 PolarHBondContact O-N 3.24Å; K604-D608 PolarHBondContact O-N 2.98Å
605	R	70	Confident	67.2	Low	153 Å²	153	79.3 Å²	79.3	58%	0.577	40%	0.403	S	S	*	.	H	α-helix	trans	-62.9	1.8	174.7	-70.2	-173	-58.4	109.8	12	116.7	S601 L603 D608	S601-R605 PolarHBondContact O-NE 3.22Å; S601-R605 PolarHBondContact O-NH2 2.84Å; L603-R605 VanDerWaalsContact C-N 3.35Å; L603-R605 PolarHBondContact O-N 3.07Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å
606	H	75.5	Confident	66.6	Low	21 Å²	21	80 Å²	80	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-117.8	-26.9	171.7	168.3	77.4	0	0	0	111.6	C590 C593 T595 F597 A602 L603 K604 D608 I609 H610	C590-H606 WeakPolarHBondContact CB-NE2 3.49Å; C590-H606 PolarHBondContact SG-NE2 3.09Å; C590-H606 VanDerWaalsContact SG-NE2 3.4Å; C593-H606 VanDerWaalsContact SG-CE1 3.53Å; C593-H606 PolarHBondContact SG-NE2 3.03Å; T595-H606 PolarHBondContact OG1-NE2 3.32Å; F597-H606 HydrophobicContact CD1-CB 4.41Å; F597-H606 HydrophobicContact CE1-CB 3.61Å; F597-H606 AromaticContact CE1-CG 3.83Å; F597-H606 HydrophobicContact CE2-CB 4.02Å; F597-H606 AromaticContact CE2-CD2 3.25Å; F597-H606 WeakPolarHBondContact CE2-CD2 3.46Å; F597-H606 AromaticContact CE2-CG 3.65Å; F597-H606 AromaticContact CE2-NE2 3.83Å; F597-H606 HydrophobicContact CZ-CB 3.41Å; F597-H606 VanDerWaalsContact CZ-CB 3.41Å; F597-H606 AromaticContact CZ-CD2 3.23Å; F597-H606 WeakPolarHBondContact CZ-CD2 3.47Å; F597-H606 AromaticContact CZ-CE1 3.99Å; F597-H606 AromaticContact CZ-CG 3.11Å; F597-H606 AromaticContact CZ-ND1 3.64Å; F597-H606 AromaticContact CZ-NE2 3.77Å; A602-H606 PolarHBondContact O-N 3.32Å; L603-H606 CarbonylContact O-C 3.4Å; L603-H606 WeakPolarHBondContact O-CA 3.36Å; L603-H606 WeakPolarHBondContact O-CB 3.1Å; L603-H606 PolarHBondContact O-N 3.13Å; K604-H606 PolarHBondContact O-N 3.44Å; H606-D608 PolarHBondContact O-N 3.17Å; H606-I609 VanDerWaalsContact O-CB 3.3Å; H606-I609 WeakPolarHBondContact O-CB 3.35Å; H606-I609 PolarHBondContact O-N 2.99Å; H606-H610 AromaticContact CD2-NE2 3.73Å; H606-H610 AromaticContact CE1-NE2 3.26Å; H606-H610 PolarHBondContact CE1-NE2 3.13Å; H606-H610 VanDerWaalsContact CE1-NE2 3.26Å; H606-H610 AromaticContact NE2-CD2 3.68Å; H606-H610 AromaticContact NE2-NE2 2.94Å; H606-H610 PolarHBondContact NE2-NE2 3.22Å; H606-H610 PolarHBondContact O-CD2 3.1Å; H606-H610 VanDerWaalsContact O-CD2 3.31Å
607	M	73.1	Confident	66.6	Low	62 Å²	62	77.9 Å²	77.9	31%	0.305	40%	0.397	S	S	.	.	H	α-helix	trans	-56.8	-38.9	159	-48.3	-46.4	-146.5	0	0	110	P591 L603 K604 I609 H610 S611	P591-M607 HydrophobicContact CG-CE 4.11Å; L603-M607 HydrophobicContact CD1-CE 3.73Å; L603-M607 HydrophobicContact CD1-SD 3.74Å; L603-M607 HydrophobicContact CD2-CE 3.93Å; L603-M607 HydrophobicContact CG-CE 3.76Å; L603-M607 HydrophobicContact CG-CG 4.46Å; L603-M607 HydrophobicContact CG-SD 4.1Å; L603-M607 WeakPolarHBondContact O-CG 3.23Å; L603-M607 PolarHBondContact O-N 3.45Å; K604-M607 WeakPolarHBondContact O-CA 3.47Å; K604-M607 WeakPolarHBondContact O-CB 3.22Å; K604-M607 PolarHBondContact O-N 3.24Å; M607-I609 PolarHBondContact O-N 2.98Å; M607-H610 PolarHBondContact O-N 3.44Å; M607-S611 PolarHBondContact O-N 2.83Å; M607-S611 PolarHBondContact O-OG 3.45Å
608	D	69.3	Low	66.9	Low	48 Å²	48	76.2 Å²	76.2	26%	0.257	39%	0.389	S	S	.	.	H	α-helix	trans	-48.8	-24.5	169.8	-61.6	8.8	0	0	0	113.5	K604 R605 H606 S611 Q626 F627	K604-D608 PolarHBondContact O-N 2.98Å; R605-D608 WeakPolarHBondContact CA-OD2 3.36Å; H606-D608 PolarHBondContact O-N 3.17Å; D608-S611 VanDerWaalsContact C-OG 3.3Å; D608-S611 VanDerWaalsContact CA-OG 3.29Å; D608-S611 WeakPolarHBondContact CA-OG 3.31Å; D608-S611 PolarHBondContact O-OG 3.48Å; D608-S611 VanDerWaalsContact O-OG 3.09Å; D608-Q626 WeakPolarHBondContact O-CG 3.47Å; D608-Q626 PolarHBondContact O-NE2 3.34Å; D608-F627 HydrophobicContact CB-CE1 3.78Å; D608-F627 HydrophobicContact CB-CZ 4.34Å
609	I	67.2	Low	67.5	Low	88 Å²	88	78.8 Å²	78.8	45%	0.451	39%	0.392	S	S	.	.	H	α-helix	trans	-84.7	-34.7	179.7	-60.5	174.5	0	0	0	111.5	H606 M607 Q626 F627	H606-I609 VanDerWaalsContact O-CB 3.3Å; H606-I609 WeakPolarHBondContact O-CB 3.35Å; H606-I609 PolarHBondContact O-N 2.99Å; M607-I609 PolarHBondContact O-N 2.98Å; I609-Q626 PolarHBondContact O-NE2 2.96Å; I609-F627 HydrophobicContact CG1-CZ 3.91Å
610	H	71.1	Confident	67.7	Low	63 Å²	63	78.7 Å²	78.7	29%	0.292	39%	0.39	S	S	.	.	H	α-helix	trans	-84.1	-29.6	178.5	-61	-67.2	0	0	0	112.6	C590 I592 H606 M607 S612	C590-H610 VanDerWaalsContact SG-CD2 3.55Å; C590-H610 PolarHBondContact SG-NE2 2.91Å; I592-H610 HydrophobicContact CD1-CB 3.51Å; I592-H610 HydrophobicContact CG2-CB 4.41Å; I592-H610 WeakPolarHBondContact CG2-ND1 3.2Å; H606-H610 AromaticContact CD2-NE2 3.73Å; H606-H610 AromaticContact CE1-NE2 3.26Å; H606-H610 PolarHBondContact CE1-NE2 3.13Å; H606-H610 VanDerWaalsContact CE1-NE2 3.26Å; H606-H610 AromaticContact NE2-CD2 3.68Å; H606-H610 AromaticContact NE2-NE2 2.94Å; H606-H610 PolarHBondContact NE2-NE2 3.22Å; H606-H610 PolarHBondContact O-CD2 3.1Å; H606-H610 VanDerWaalsContact O-CD2 3.31Å; M607-H610 PolarHBondContact O-N 3.44Å; H610-S612 PolarHBondContact O-N 3.14Å
611	S	63.6	Low	68	Low	34 Å²	34	76.1 Å²	76.1	24%	0.238	38%	0.381	C	S	.	.	S	Bend	trans	-64.4	121.7	166.7	58.4	0	0	0	0	109.5	M607 D608 E613 Q626	M607-S611 PolarHBondContact O-N 2.83Å; M607-S611 PolarHBondContact O-OG 3.45Å; D608-S611 VanDerWaalsContact C-OG 3.3Å; D608-S611 VanDerWaalsContact CA-OG 3.29Å; D608-S611 WeakPolarHBondContact CA-OG 3.31Å; D608-S611 PolarHBondContact O-OG 3.48Å; D608-S611 VanDerWaalsContact O-OG 3.09Å; S611-E613 PolarHBondContact O-N 3.25Å; S611-E613 VanDerWaalsContact O-N 3.16Å; S611-Q626 PolarHBondContact O-NE2 2.85Å
612	S	52.6	Low	68.3	Low	112 Å²	112	79.4 Å²	79.4	78%	0.783	39%	0.387	S	S	*	.			trans	-63	-12.4	168.1	53.6	0	0	0	0	112.7	H610 R614	H610-S612 PolarHBondContact O-N 3.14Å; S612-R614 PolarHBondContact O-N 3.38Å
613	E	53	Low	68.5	Low	89 Å²	89	85.3 Å²	85.3	42%	0.416	41%	0.411	S	S	.	.			trans	-57.9	97	178.3	-61	-167.2	150.5	0	0	113.3	S611 L615	S611-E613 PolarHBondContact O-N 3.25Å; S611-E613 VanDerWaalsContact O-N 3.16Å; E613-L615 HydrophobicContact CB-CD2 4.03Å; E613-L615 HydrophobicContact CB-CG 4.08Å; E613-L615 PolarHBondContact O-N 3.12Å
614	R	58.1	Low	68.3	Low	157 Å²	157	92.2 Å²	92.2	59%	0.592	44%	0.436	S	S	*	.			trans	-78.9	78.5	166.8	-59.5	179.4	-176.4	170.8	2.1	109.2	S612 F616 R624 F625	S612-R614 PolarHBondContact O-N 3.38Å; R614-F616 VanDerWaalsContact C-N 3.28Å; R614-F616 PolarHBondContact O-N 3.43Å; R614-R624 HydrophobicContact CB-CB 3.47Å; R614-R624 VanDerWaalsContact CB-CB 3.47Å; R614-R624 HydrophobicContact CG-CB 4.42Å; R614-R624 PolarHBondContact O-NE 2.83Å; R614-R624 PolarHBondContact O-NH2 2.99Å; R614-F625 CarbonylContact C-O 3.58Å
615	L	62.3	Low	68.2	Low	93 Å²	93	87.5 Å²	87.5	49%	0.487	42%	0.415	S	S	.	.			trans	-61.8	-21.7	-172	-68.4	173.1	0	0	0	115.5	E613 F625	E613-L615 HydrophobicContact CB-CD2 4.03Å; E613-L615 HydrophobicContact CB-CG 4.08Å; E613-L615 PolarHBondContact O-N 3.12Å; L615-F625 PolarHBondContact N-O 2.92Å
616	F	58.8	Low	68	Low	74 Å²	74	83.1 Å²	83.1	33%	0.325	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	100.2	-174.1	-58.3	-79.6	0	0	0	112.1	R614 R624 F625 L628 C631	R614-F616 VanDerWaalsContact C-N 3.28Å; R614-F616 PolarHBondContact O-N 3.43Å; F616-R624 CarbonylContact O-C 3.55Å; F616-F625 HydrophobicContact CB-CB 4.45Å; F616-F625 PolarHBondContact N-O 2.77Å; F616-F625 PolarHBondContact O-N 2.81Å; F616-L628 HydrophobicContact CD1-CB 3.97Å; F616-L628 HydrophobicContact CD1-CD1 3.84Å; F616-L628 HydrophobicContact CD1-CG 4.44Å; F616-L628 HydrophobicContact CD2-CB 4.23Å; F616-L628 VanDerWaalsContact CD2-N 3.3Å; F616-L628 HydrophobicContact CE1-CB 3.85Å; F616-L628 HydrophobicContact CE1-CD1 4.13Å; F616-L628 HydrophobicContact CE1-CD2 4.5Å; F616-L628 HydrophobicContact CE1-CG 4.37Å; F616-L628 HydrophobicContact CE2-CB 4.11Å; F616-L628 HydrophobicContact CG-CB 4.16Å; F616-L628 HydrophobicContact CG-CD1 4.5Å; F616-L628 HydrophobicContact CZ-CB 3.92Å; F616-C631 HydrophobicContact CB-CB 4.06Å
617	S	67.6	Low	67.7	Low	74 Å²	74	85.4 Å²	85.4	52%	0.517	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	154	168.8	53.9	0	0	0	0	112.1	C631	S617-C631 PolarHBondContact O-SG 3.2Å; S617-C631 VanDerWaalsContact O-SG 3.36Å
618	C	74.6	Confident	67.6	Low	0 Å²	0	86 Å²	86	0%	0	42%	0.416	C	S	.	.			trans	-90	123.7	162.9	179.3	0	0	0	0	109.6	I620 H622 K623 F625 H634 L635	C618-I620 PolarHBondContact O-N 2.73Å; C618-I620 VanDerWaalsContact O-N 3.16Å; C618-I620 PolarHBondContact SG-N 3.32Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; C618-H622 WeakPolarHBondContact O-CA 3.22Å; C618-H622 PolarHBondContact O-N 2.97Å; C618-K623 PolarHBondContact N-O 2.9Å; C618-F625 HydrophobicContact CB-CE2 4.21Å; C618-H634 VanDerWaalsContact CB-CD2 3.49Å; C618-H634 WeakPolarHBondContact CB-CD2 3.44Å; C618-H634 WeakPolarHBondContact CB-NE2 3.39Å; C618-H634 PolarHBondContact SG-CD2 3.18Å; C618-H634 PolarHBondContact SG-NE2 2.9Å; C618-L635 VanDerWaalsContact SG-CD2 3.52Å
619	Y	71.8	Confident	67.7	Low	179 Å²	179	90.8 Å²	90.8	70%	0.702	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-3	177.3	71.7	-90.9	0	0	0	114.2	L635	Y619-L635 HydrophobicContact CD1-CD2 3.91Å; Y619-L635 HydrophobicContact CE1-CD1 4.2Å; Y619-L635 HydrophobicContact CE1-CD2 3.5Å; Y619-L635 VanDerWaalsContact CE1-CD2 3.5Å
620	I	69.3	Low	68.1	Low	61 Å²	61	88.9 Å²	88.9	31%	0.313	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-26.3	-177.4	-50.3	179.6	0	0	0	112.4	C618 L635 H638	C618-I620 PolarHBondContact O-N 2.73Å; C618-I620 VanDerWaalsContact O-N 3.16Å; C618-I620 PolarHBondContact SG-N 3.32Å; C618-I620 VanDerWaalsContact SG-N 3.38Å; I620-L635 HydrophobicContact CD1-CD2 3.61Å; I620-L635 HydrophobicContact CG1-CD2 3.89Å; I620-H638 HydrophobicContact CD1-CB 3.76Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.49Å
621	C	80.6	Confident	68.2	Low	48 Å²	48	86.2 Å²	86.2	32%	0.324	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	20.5	176.1	82.6	0	0	0	0	114.3	K623 H634 H638	C621-K623 PolarHBondContact O-N 3.25Å; C621-H634 PolarHBondContact SG-CE1 3.03Å; C621-H634 PolarHBondContact SG-NE2 3.25Å; C621-H638 PolarHBondContact SG-NE2 2.99Å
622	H	75.4	Confident	68.7	Low	144 Å²	144	91.9 Å²	91.9	67%	0.667	44%	0.435	S	S	*	.			trans	58.1	-3.9	173.8	-57.5	-91	0	0	0	117.7	C618 R624	C618-H622 WeakPolarHBondContact O-CA 3.22Å; C618-H622 PolarHBondContact O-N 2.97Å; H622-R624 WeakPolarHBondContact O-CG 3.36Å; H622-R624 PolarHBondContact O-N 2.88Å; H622-R624 VanDerWaalsContact O-N 3.16Å
623	K	74.4	Confident	69.8	Low	137 Å²	137	93.1 Å²	93.1	60%	0.596	43%	0.426	S	S	*	.			trans	-52.4	122.5	173.7	-73.9	-174.3	178	-175	0	110.1	C618 C621 F625	C618-K623 PolarHBondContact N-O 2.9Å; C621-K623 PolarHBondContact O-N 3.25Å; K623-F625 HydrophobicContact CB-CE2 3.97Å; K623-F625 HydrophobicContact CB-CZ 4.11Å; K623-F625 VanDerWaalsContact O-CD2 3.27Å; K623-F625 WeakPolarHBondContact O-CD2 3.09Å; K623-F625 WeakPolarHBondContact O-CE2 3.33Å
624	R	72.3	Confident	71	Confident	157 Å²	157	90.5 Å²	90.5	59%	0.592	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.1	-177.6	-56.7	-179.2	65.7	159.8	0.5	110.7	R614 F616 H622	R614-R624 HydrophobicContact CB-CB 3.47Å; R614-R624 VanDerWaalsContact CB-CB 3.47Å; R614-R624 HydrophobicContact CG-CB 4.42Å; R614-R624 PolarHBondContact O-NE 2.83Å; R614-R624 PolarHBondContact O-NH2 2.99Å; F616-R624 CarbonylContact O-C 3.55Å; H622-R624 WeakPolarHBondContact O-CG 3.36Å; H622-R624 PolarHBondContact O-N 2.88Å; H622-R624 VanDerWaalsContact O-N 3.16Å
625	F	72.2	Confident	71.6	Confident	43 Å²	43	85 Å²	85	19%	0.189	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.4	-176.8	-61.4	-88.3	0	0	0	111	R614 L615 F616 C618 K623 F627 C631 H634	R614-F625 CarbonylContact C-O 3.58Å; L615-F625 PolarHBondContact N-O 2.92Å; F616-F625 HydrophobicContact CB-CB 4.45Å; F616-F625 PolarHBondContact N-O 2.77Å; F616-F625 PolarHBondContact O-N 2.81Å; C618-F625 HydrophobicContact CB-CE2 4.21Å; K623-F625 HydrophobicContact CB-CE2 3.97Å; K623-F625 HydrophobicContact CB-CZ 4.11Å; K623-F625 VanDerWaalsContact O-CD2 3.27Å; K623-F625 WeakPolarHBondContact O-CD2 3.09Å; K623-F625 WeakPolarHBondContact O-CE2 3.33Å; F625-F627 VanDerWaalsContact C-N 3.25Å; F625-F627 PolarHBondContact O-N 3.48Å; F625-C631 HydrophobicContact CB-CB 4.14Å; F625-C631 HydrophobicContact CD2-CB 3.67Å; F625-C631 HydrophobicContact CE2-CB 4.4Å; F625-C631 HydrophobicContact CG-CB 4.03Å; F625-H634 HydrophobicContact CE1-CB 4.17Å; F625-H634 HydrophobicContact CE2-CB 4.14Å; F625-H634 AromaticContact CE2-CD2 3.33Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.24Å; F625-H634 AromaticContact CE2-CG 3.85Å; F625-H634 AromaticContact CE2-NE2 3.99Å; F625-H634 HydrophobicContact CZ-CB 3.58Å; F625-H634 AromaticContact CZ-CD2 3.39Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.46Å; F625-H634 AromaticContact CZ-CG 3.42Å; F625-H634 VanDerWaalsContact CZ-CG 3.42Å
626	Q	66	Low	72.1	Confident	61 Å²	61	85.6 Å²	85.6	29%	0.285	40%	0.399	S	S	.	.	S	Bend	trans	-68	-24.5	173.1	-160	167.4	46.2	0	0	112.3	D608 I609 S611	D608-Q626 WeakPolarHBondContact O-CG 3.47Å; D608-Q626 PolarHBondContact O-NE2 3.34Å; I609-Q626 PolarHBondContact O-NE2 2.96Å; S611-Q626 PolarHBondContact O-NE2 2.85Å
627	F	68.2	Low	72.8	Confident	69 Å²	69	86.3 Å²	86.3	30%	0.303	41%	0.406	S	S	.	.	S	Bend	trans	-133.3	135.2	-177.5	-55.7	-67.2	0	0	0	113.3	D608 I609 F625 H629 S630 C631	D608-F627 HydrophobicContact CB-CE1 3.78Å; D608-F627 HydrophobicContact CB-CZ 4.34Å; I609-F627 HydrophobicContact CG1-CZ 3.91Å; F625-F627 VanDerWaalsContact C-N 3.25Å; F625-F627 PolarHBondContact O-N 3.48Å; F627-H629 PolarHBondContact O-N 3.27Å; F627-H629 VanDerWaalsContact O-N 3.13Å; F627-S630 WeakPolarHBondContact O-CB 3.16Å; F627-S630 PolarHBondContact O-N 2.73Å; F627-C631 PolarHBondContact O-N 3.38Å
628	L	71.9	Confident	73	Confident	76 Å²	76	84.6 Å²	84.6	40%	0.398	39%	0.39	S	S	.	.	H	α-helix	trans	-55.4	-29.7	175.5	-179.4	61.2	0	0	0	113.7	F616 R632	F616-L628 HydrophobicContact CD1-CB 3.97Å; F616-L628 HydrophobicContact CD1-CD1 3.84Å; F616-L628 HydrophobicContact CD1-CG 4.44Å; F616-L628 HydrophobicContact CD2-CB 4.23Å; F616-L628 VanDerWaalsContact CD2-N 3.3Å; F616-L628 HydrophobicContact CE1-CB 3.85Å; F616-L628 HydrophobicContact CE1-CD1 4.13Å; F616-L628 HydrophobicContact CE1-CD2 4.5Å; F616-L628 HydrophobicContact CE1-CG 4.37Å; F616-L628 HydrophobicContact CE2-CB 4.11Å; F616-L628 HydrophobicContact CG-CB 4.16Å; F616-L628 HydrophobicContact CG-CD1 4.5Å; F616-L628 HydrophobicContact CZ-CB 3.92Å; L628-R632 HydrophobicContact CD1-CG 4.38Å; L628-R632 WeakPolarHBondContact O-CB 3.45Å; L628-R632 VanDerWaalsContact O-CG 3.32Å; L628-R632 WeakPolarHBondContact O-CG 3.05Å; L628-R632 PolarHBondContact O-N 3.3Å
629	H	70.9	Confident	71.7	Confident	147 Å²	147	87.7 Å²	87.7	68%	0.681	41%	0.412	S	S	*	.	H	α-helix	trans	-68.2	-39.3	175.6	-178.4	38.3	0	0	0	112.1	F627 R632 K633	F627-H629 PolarHBondContact O-N 3.27Å; F627-H629 VanDerWaalsContact O-N 3.13Å; H629-R632 PolarHBondContact O-N 3.21Å; H629-K633 PolarHBondContact O-N 3.35Å
630	S	76.4	Confident	70.8	Confident	49 Å²	49	84.3 Å²	84.3	34%	0.343	41%	0.405	S	S	.	.	H	α-helix	trans	-65.5	-45.8	176.4	-51.9	0	0	0	0	110.8	F627 R632 K633 H634	F627-S630 WeakPolarHBondContact O-CB 3.16Å; F627-S630 PolarHBondContact O-N 2.73Å; S630-R632 VanDerWaalsContact C-N 3.34Å; S630-R632 PolarHBondContact O-N 3.41Å; S630-K633 PolarHBondContact O-N 3.03Å; S630-H634 WeakPolarHBondContact O-CB 3.21Å; S630-H634 PolarHBondContact O-N 3Å
631	C	72.3	Confident	69.7	Low	6 Å²	6	85.3 Å²	85.3	4%	0.041	41%	0.414	C	S	.	.	H	α-helix	trans	-56.7	-45.5	171.8	178.4	0	0	0	0	111.5	F616 S617 F625 F627 H634 L635	F616-C631 HydrophobicContact CB-CB 4.06Å; S617-C631 PolarHBondContact O-SG 3.2Å; S617-C631 VanDerWaalsContact O-SG 3.36Å; F625-C631 HydrophobicContact CB-CB 4.14Å; F625-C631 HydrophobicContact CD2-CB 3.67Å; F625-C631 HydrophobicContact CE2-CB 4.4Å; F625-C631 HydrophobicContact CG-CB 4.03Å; F627-C631 PolarHBondContact O-N 3.38Å; C631-H634 PolarHBondContact O-N 3.45Å; C631-L635 WeakPolarHBondContact O-CG 3.42Å; C631-L635 PolarHBondContact O-N 3.01Å
632	R	73.3	Confident	67.7	Low	154 Å²	154	90.9 Å²	90.9	58%	0.581	43%	0.433	S	S	*	.	H	α-helix	trans	-65	-38.9	176.6	-76.5	177.8	176.6	-167.8	-2.8	114.4	L628 H629 S630 H634 L635 L636	L628-R632 HydrophobicContact CD1-CG 4.38Å; L628-R632 WeakPolarHBondContact O-CB 3.45Å; L628-R632 VanDerWaalsContact O-CG 3.32Å; L628-R632 WeakPolarHBondContact O-CG 3.05Å; L628-R632 PolarHBondContact O-N 3.3Å; H629-R632 PolarHBondContact O-N 3.21Å; S630-R632 VanDerWaalsContact C-N 3.34Å; S630-R632 PolarHBondContact O-N 3.41Å; R632-H634 VanDerWaalsContact C-N 3.27Å; R632-H634 PolarHBondContact O-N 3.2Å; R632-L635 PolarHBondContact O-N 3.03Å; R632-L636 WeakPolarHBondContact O-CB 3.39Å; R632-L636 PolarHBondContact O-N 3.5Å
633	K	75.3	Confident	66.1	Low	137 Å²	137	93.8 Å²	93.8	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-63.3	-38.2	174.6	-172.4	-177.4	178.3	-172.4	0	110.6	H629 S630 L636 N637	H629-K633 PolarHBondContact O-N 3.35Å; S630-K633 PolarHBondContact O-N 3.03Å; K633-L636 WeakPolarHBondContact O-CB 3.17Å; K633-L636 PolarHBondContact O-N 3.27Å; K633-N637 PolarHBondContact O-N 3.35Å; K633-N637 PolarHBondContact O-OD1 3.31Å
634	H	78.3	Confident	64.1	Low	34 Å²	34	90.2 Å²	90.2	16%	0.157	43%	0.43	C	S	.	.	H	α-helix	trans	-72.8	-39.9	176.9	164.9	68.6	0	0	0	113.4	C618 C621 F625 S630 C631 R632 L636 N637 H638	C618-H634 VanDerWaalsContact CB-CD2 3.49Å; C618-H634 WeakPolarHBondContact CB-CD2 3.44Å; C618-H634 WeakPolarHBondContact CB-NE2 3.39Å; C618-H634 PolarHBondContact SG-CD2 3.18Å; C618-H634 PolarHBondContact SG-NE2 2.9Å; C621-H634 PolarHBondContact SG-CE1 3.03Å; C621-H634 PolarHBondContact SG-NE2 3.25Å; F625-H634 HydrophobicContact CE1-CB 4.17Å; F625-H634 HydrophobicContact CE2-CB 4.14Å; F625-H634 AromaticContact CE2-CD2 3.33Å; F625-H634 WeakPolarHBondContact CE2-CD2 3.24Å; F625-H634 AromaticContact CE2-CG 3.85Å; F625-H634 AromaticContact CE2-NE2 3.99Å; F625-H634 HydrophobicContact CZ-CB 3.58Å; F625-H634 AromaticContact CZ-CD2 3.39Å; F625-H634 WeakPolarHBondContact CZ-CD2 3.46Å; F625-H634 AromaticContact CZ-CG 3.42Å; F625-H634 VanDerWaalsContact CZ-CG 3.42Å; S630-H634 WeakPolarHBondContact O-CB 3.21Å; S630-H634 PolarHBondContact O-N 3Å; C631-H634 PolarHBondContact O-N 3.45Å; R632-H634 VanDerWaalsContact C-N 3.27Å; R632-H634 PolarHBondContact O-N 3.2Å; H634-L636 VanDerWaalsContact C-N 3.3Å; H634-L636 PolarHBondContact O-N 2.85Å; H634-N637 WeakPolarHBondContact O-CB 3.3Å; H634-N637 PolarHBondContact O-N 2.88Å; H634-N637 VanDerWaalsContact O-N 3.13Å; H634-H638 AromaticContact CE1-CD2 3.57Å; H634-H638 AromaticContact CE1-NE2 3.12Å; H634-H638 PolarHBondContact CE1-NE2 2.83Å; H634-H638 AromaticContact NE2-CD2 3.66Å; H634-H638 AromaticContact NE2-NE2 3.3Å; H634-H638 PolarHBondContact NE2-NE2 3.37Å; H634-H638 PolarHBondContact O-N 2.85Å; H634-H638 VanDerWaalsContact O-N 3.1Å
635	L	72.7	Confident	62.4	Low	41 Å²	41	91.9 Å²	91.9	22%	0.215	44%	0.441	C	S	.	.	H	α-helix	trans	-61.4	-37.1	170.4	-74.6	168.7	0	0	0	112.1	C618 Y619 I620 C631 R632 H638 S639	C618-L635 VanDerWaalsContact SG-CD2 3.52Å; Y619-L635 HydrophobicContact CD1-CD2 3.91Å; Y619-L635 HydrophobicContact CE1-CD1 4.2Å; Y619-L635 HydrophobicContact CE1-CD2 3.5Å; Y619-L635 VanDerWaalsContact CE1-CD2 3.5Å; I620-L635 HydrophobicContact CD1-CD2 3.61Å; I620-L635 HydrophobicContact CG1-CD2 3.89Å; C631-L635 WeakPolarHBondContact O-CG 3.42Å; C631-L635 PolarHBondContact O-N 3.01Å; R632-L635 PolarHBondContact O-N 3.03Å; L635-H638 WeakPolarHBondContact O-CB 3.44Å; L635-H638 PolarHBondContact O-N 3.28Å; L635-S639 PolarHBondContact O-N 3.13Å; L635-S639 VanDerWaalsContact O-N 3.1Å
636	L	72	Confident	60.7	Low	106 Å²	106	99 Å²	99	56%	0.555	47%	0.472	S	S	*	.	H	α-helix	trans	-60.1	-44.6	171	-85.1	161	0	0	0	111.5	R632 K633 H634 H638 S639 I640	R632-L636 WeakPolarHBondContact O-CB 3.39Å; R632-L636 PolarHBondContact O-N 3.5Å; K633-L636 WeakPolarHBondContact O-CB 3.17Å; K633-L636 PolarHBondContact O-N 3.27Å; H634-L636 VanDerWaalsContact C-N 3.3Å; H634-L636 PolarHBondContact O-N 2.85Å; L636-H638 VanDerWaalsContact C-N 3.32Å; L636-H638 PolarHBondContact O-N 3.05Å; L636-S639 PolarHBondContact O-N 2.83Å; L636-S639 PolarHBondContact O-OG 2.77Å; L636-I640 WeakPolarHBondContact O-CG1 3.49Å; L636-I640 PolarHBondContact O-N 3.14Å; L636-I640 VanDerWaalsContact O-N 3.08Å
637	N	72.7	Confident	59.3	Low	89 Å²	89	104.5 Å²	104.5	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-40.7	175.2	-70.8	14.1	0	0	0	112.1	K633 H634 S639 I640 T641	K633-N637 PolarHBondContact O-N 3.35Å; K633-N637 PolarHBondContact O-OD1 3.31Å; H634-N637 WeakPolarHBondContact O-CB 3.3Å; H634-N637 PolarHBondContact O-N 2.88Å; H634-N637 VanDerWaalsContact O-N 3.13Å; N637-S639 VanDerWaalsContact C-N 3.31Å; N637-S639 PolarHBondContact O-N 3.34Å; N637-I640 PolarHBondContact O-N 2.94Å; N637-T641 WeakPolarHBondContact O-CG2 3.25Å; N637-T641 PolarHBondContact O-N 2.95Å; N637-T641 PolarHBondContact O-OG1 3.43Å
638	H	72.4	Confident	57.6	Low	38 Å²	38	106.8 Å²	106.8	18%	0.176	51%	0.508	C	S	.	.	H	α-helix	trans	-61.2	-35.4	173.1	-80.3	-70.6	0	0	0	113.5	I620 C621 H634 L635 L636 I640 T641 K642	I620-H638 HydrophobicContact CD1-CB 3.76Å; I620-H638 HydrophobicContact CG2-CB 4.33Å; I620-H638 WeakPolarHBondContact CG2-ND1 3.49Å; C621-H638 PolarHBondContact SG-NE2 2.99Å; H634-H638 AromaticContact CE1-CD2 3.57Å; H634-H638 AromaticContact CE1-NE2 3.12Å; H634-H638 PolarHBondContact CE1-NE2 2.83Å; H634-H638 AromaticContact NE2-CD2 3.66Å; H634-H638 AromaticContact NE2-NE2 3.3Å; H634-H638 PolarHBondContact NE2-NE2 3.37Å; H634-H638 PolarHBondContact O-N 2.85Å; H634-H638 VanDerWaalsContact O-N 3.1Å; L635-H638 WeakPolarHBondContact O-CB 3.44Å; L635-H638 PolarHBondContact O-N 3.28Å; L636-H638 VanDerWaalsContact C-N 3.32Å; L636-H638 PolarHBondContact O-N 3.05Å; H638-I640 VanDerWaalsContact C-N 3.33Å; H638-T641 PolarHBondContact O-OG1 2.81Å; H638-K642 PolarHBondContact O-N 2.85Å
639	S	48.5	Very low	55.8	Low	66 Å²	66	111.6 Å²	111.6	46%	0.462	53%	0.528	S	S	.	.	H	α-helix	trans	-72.1	-26.7	176.7	73	0	0	0	0	113.4	L635 L636 N637	L635-S639 PolarHBondContact O-N 3.13Å; L635-S639 VanDerWaalsContact O-N 3.1Å; L636-S639 PolarHBondContact O-N 2.83Å; L636-S639 PolarHBondContact O-OG 2.77Å; N637-S639 VanDerWaalsContact C-N 3.31Å; N637-S639 PolarHBondContact O-N 3.34Å
640	I	51	Low	53.9	Low	107 Å²	107	112.4 Å²	112.4	55%	0.549	54%	0.537	S	S	.	.	H	α-helix	trans	-80	-47.3	177.6	-65.4	163.4	0	0	0	110.2	L636 N637 H638 K642 R643 S644	L636-I640 WeakPolarHBondContact O-CG1 3.49Å; L636-I640 PolarHBondContact O-N 3.14Å; L636-I640 VanDerWaalsContact O-N 3.08Å; N637-I640 PolarHBondContact O-N 2.94Å; H638-I640 VanDerWaalsContact C-N 3.33Å; I640-K642 VanDerWaalsContact C-N 3.28Å; I640-K642 PolarHBondContact O-N 3.16Å; I640-R643 PolarHBondContact O-N 2.99Å; I640-R643 VanDerWaalsContact O-N 3.09Å; I640-S644 PolarHBondContact O-N 2.68Å
641	T	47.8	Very low	51.6	Low	82 Å²	82	115.9 Å²	115.9	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-22.3	-177.1	54.2	0	0	0	0	114.3	N637 H638	N637-T641 WeakPolarHBondContact O-CG2 3.25Å; N637-T641 PolarHBondContact O-N 2.95Å; N637-T641 PolarHBondContact O-OG1 3.43Å; H638-T641 PolarHBondContact O-OG1 2.81Å
642	K	38.7	Very low	49.6	Very low	166 Å²	166	123.7 Å²	123.7	72%	0.722	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-13.3	172.3	-76.4	-164.6	174.1	-169.9	0	114.7	H638 I640	H638-K642 PolarHBondContact O-N 2.85Å; I640-K642 VanDerWaalsContact C-N 3.28Å; I640-K642 PolarHBondContact O-N 3.16Å
643	R	40.1	Very low	47.6	Very low	205 Å²	205	125.5 Å²	125.5	77%	0.774	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-29.8	176.6	-86	-177.2	165.6	171	-4.8	113.9	I640 K645	I640-R643 PolarHBondContact O-N 2.99Å; I640-R643 VanDerWaalsContact O-N 3.09Å; R643-K645 VanDerWaalsContact C-N 3.33Å; R643-K645 PolarHBondContact O-N 2.92Å
644	S	33.4	Very low	45.5	Very low	62 Å²	62	127.4 Å²	127.4	43%	0.434	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	-9.2	-176.3	54.9	0	0	0	0	115.9	I640	I640-S644 PolarHBondContact O-N 2.68Å
645	K	36.9	Very low	43	Very low	191 Å²	191	130 Å²	130	83%	0.83	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	8.2	-179.9	-74.4	-159.7	171.2	-161.9	0	115.5	R643	R643-K645 VanDerWaalsContact C-N 3.33Å; R643-K645 PolarHBondContact O-N 2.92Å
646	K	36.6	Very low	41.1	Very low	193 Å²	193	135.2 Å²	135.2	84%	0.839	67%	0.665	S	S	*	*	S	Bend	trans	-127.8	15.1	-177.9	-88.5	-158.9	171.1	-162.9	0	116
647	Q	37	Very low	38.9	Very low	176 Å²	176	134.8 Å²	134.8	82%	0.822	67%	0.67	S	S	*	*	S	Bend	trans	-139.9	35	179.7	-64.9	-171.5	-67.4	0	0	113.4
648	K	32.4	Very low	36.9	Very low	117 Å²	117	136.1 Å²	136.1	51%	0.509	69%	0.686	S	S	.	*	S	Bend	trans	-109.4	-4	175.6	-88	-166.2	176.2	-174.4	0	115.1	N1568	K648-N1568 PolarHBondContact NZ-O 3.11Å
649	H	32.7	Very low	34.7	Very low	177 Å²	177	138.6 Å²	138.6	82%	0.819	71%	0.713	S	S	*	*	S	Bend	trans	-125	94.5	172.3	-67.7	-84.9	0	0	0	110.1
650	N	31.1	Very low	33.6	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	73%	0.728	S	S	*	*			trans	176.5	128.4	135.1	-90.9	1.9	0	0	0	107.8
651	V	28	Very low	32.4	Very low	121 Å²	121	143.1 Å²	143.1	73%	0.733	74%	0.742	S	S	*	*			trans	-138.4	152.1	-165.5	161.8	0	0	0	0	108.4
652	Q	30.2	Very low	31.2	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	75%	0.753	S	S	*	*			trans	70.6	158.1	175	-70.9	153.5	4.5	0	0	117.8
653	K	31.7	Very low	30.6	Very low	192 Å²	192	144.2 Å²	144.2	84%	0.835	75%	0.753	S	S	*	*			trans	57.2	101.3	167.5	-66.2	174.5	-178.6	-178.7	0	115
654	L	32.1	Very low	30	Very low	177 Å²	177	141 Å²	141	93%	0.927	76%	0.757	S	S	*	*				-167.2	166.6	60.2	-90.9	145.2	0	0	0	111.5
655	S	26.1	Very low	29.6	Very low	87 Å²	87	145 Å²	145	61%	0.608	77%	0.772	S	S	*	*			trans	-119.5	174.6	177.9	52.2	0	0	0	0	111.9
656	E	31.3	Very low	29.1	Very low	152 Å²	152	142.2 Å²	142.2	71%	0.71	77%	0.773	S	S	*	*			trans	64.2	162.5	171.8	-70.1	124.9	-106.7	0	0	117.1
657	S	27.4	Very low	28.6	Very low	96 Å²	96	140 Å²	140	67%	0.671	76%	0.763	S	S	*	*			cis	-159.6	-172	-36.2	62.8	0	0	0	0	108.6
658	C	29.2	Very low	28.2	Very low	118 Å²	118	139.6 Å²	139.6	80%	0.797	76%	0.755	S	S	*	*			trans	61.4	107.2	176.7	-61.3	0	0	0	0	115.7
659	A	26.6	Very low	28.3	Very low	90 Å²	90	139.3 Å²	139.3	74%	0.744	77%	0.765	S	S	*	*				81	106.5	57.2	0	0	0	0	0	113.6
660	S	24.9	Very low	28.1	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	76%	0.762	S	S	*	*			trans	28.8	111.2	149.8	54.6	0	0	0	0	119.3
661	D	26.6	Very low	28	Very low	155 Å²	155	135.9 Å²	135.9	83%	0.829	76%	0.757	S	S	*	*				-149.9	174.2	123.4	-133.4	-23.7	0	0	0	115.1
662	M	23.1	Very low	27.8	Very low	153 Å²	153	137.5 Å²	137.5	75%	0.754	76%	0.756	S	S	*	*			trans	-36.2	148.3	-179.3	-75.9	-69.1	169.5	0	0	121.2
663	V	25.5	Very low	27.7	Very low	119 Å²	119	134.6 Å²	134.6	72%	0.721	75%	0.75	S	S	*	*			trans	83.5	143.6	133.4	167	0	0	0	0	121.8
664	T	26.9	Very low	27.5	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	74%	0.742	S	S	*	*			trans	76.3	158	165.5	35	0	0	0	0	122.8
665	I	24.4	Very low	27.2	Very low	146 Å²	146	128.6 Å²	128.6	75%	0.749	73%	0.731	S	S	*	*			trans	-116	136.7	-170.2	-73.2	162.2	0	0	0	107.4
666	P	27.6	Very low	27.2	Very low	131 Å²	131	131 Å²	131	85%	0.851	74%	0.735	S	S	*	*				-144.6	173.9	107.4	31.4	-11.2	0	0	0	117.1
667	K	26.2	Very low	27	Very low	146 Å²	146	129.9 Å²	129.9	64%	0.635	73%	0.734	S	S	*	*			trans	-100.3	-175.1	-164.7	-54.9	151.6	100.7	-166.4	0	112.2
668	Y	28.2	Very low	27	Very low	168 Å²	168	129.4 Å²	129.4	66%	0.659	73%	0.731	S	S	*	*			trans	88.4	158.2	145.5	-78.7	-42.7	0	0	0	117.9
669	P	33.8	Very low	26.9	Very low	111 Å²	111	131.5 Å²	131.5	72%	0.721	73%	0.733	S	S	*	*			cis	-126.9	165.9	29.3	42.3	-27.4	0	0	0	119.6
670	V	29	Very low	26.7	Very low	123 Å²	123	131.5 Å²	131.5	75%	0.745	73%	0.728	S	S	*	*	S	Bend	trans	62.8	124.7	146	160.9	0	0	0	0	117.9
671	L	28.4	Very low	26.8	Very low	148 Å²	148	135.1 Å²	135.1	78%	0.775	73%	0.729	S	S	*	*			cis	-136.3	129.9	6.8	-125.9	163.5	0	0	0	110.9
672	Q	25.4	Very low	26.6	Very low	155 Å²	155	132.1 Å²	132.1	72%	0.724	72%	0.721	S	S	*	*			trans	-137.4	114.9	156.4	172.7	177.8	7.7	0	0	106	V674	Q672-V674 PolarHBondContact O-N 3.18Å
673	T	27.9	Very low	26.7	Very low	109 Å²	109	135.3 Å²	135.3	67%	0.669	72%	0.724	S	S	*	*			trans	-66.4	119.6	151.6	32.7	0	0	0	0	106.8
674	V	26	Very low	26.6	Very low	111 Å²	111	136.8 Å²	136.8	67%	0.673	73%	0.728	S	S	*	*				62.2	112.4	72.6	176.6	0	0	0	0	106.4	Q672	Q672-V674 PolarHBondContact O-N 3.18Å
675	I	25.9	Very low	26.6	Very low	133 Å²	133	135.3 Å²	135.3	68%	0.682	73%	0.73	S	S	*	*			cis	-164.6	164.2	31.1	-154.4	166.1	0	0	0	110.9
676	I	27.1	Very low	26.8	Very low	137 Å²	137	131.1 Å²	131.1	70%	0.703	72%	0.722	S	S	*	*			trans	64.2	140.5	154	-82.5	156.6	0	0	0	117.7
677	D	26.2	Very low	26.7	Very low	128 Å²	128	130.7 Å²	130.7	68%	0.684	72%	0.722	S	S	*	*			cis	-160.9	168.3	-11.1	-135.3	29.8	0	0	0	115.1
678	S	28	Very low	26.7	Very low	86 Å²	86	128.8 Å²	128.8	60%	0.601	73%	0.727	S	S	*	*			trans	34.7	156	132.7	-63.1	0	0	0	0	125.3
679	L	27.5	Very low	26.6	Very low	163 Å²	163	125.2 Å²	125.2	85%	0.853	73%	0.726	S	S	*	*			trans	74.8	104.3	154.2	-71	155.9	0	0	0	119.8
680	S	23	Very low	26.2	Very low	89 Å²	89	127.1 Å²	127.1	62%	0.622	73%	0.73	S	S	*	*			trans	-64.3	152.2	146.5	64.5	0	0	0	0	111.5
681	K	26.8	Very low	26.4	Very low	189 Å²	189	125.7 Å²	125.7	82%	0.822	72%	0.723	S	S	*	*			trans	70.1	155.9	177.6	-47.7	165.4	-173.5	168.7	0	111.4
682	S	22.3	Very low	26.3	Very low	92 Å²	92	125.6 Å²	125.6	64%	0.643	72%	0.724	S	S	*	*			cis	-172	169	-18.2	47.6	0	0	0	0	108
683	R	24.9	Very low	26.3	Very low	220 Å²	220	123.9 Å²	123.9	83%	0.83	72%	0.724	S	S	*	*			trans	76.4	132.7	177.5	-62.8	167.7	175.8	158.6	-3.5	112.5
684	D	23.8	Very low	26.3	Very low	150 Å²	150	124.3 Å²	124.3	80%	0.802	73%	0.726	S	S	*	*			cis	80.8	140.1	43.9	-59.2	-51.8	0	0	0	112.1
685	A	27.4	Very low	26.2	Very low	106 Å²	106	125.8 Å²	125.8	88%	0.876	74%	0.735	S	S	*	*			trans	63	146.3	-157.9	0	0	0	0	0	113.6
686	G	27.2	Very low	26.2	Very low	58 Å²	58	121.9 Å²	121.9	60%	0.598	73%	0.728	S	S	*	*			cis	128.6	144.6	3.5	0	0	0	0	0	110.3
687	S	25.7	Very low	26.1	Very low	122 Å²	122	121.9 Å²	121.9	85%	0.853	73%	0.729	S	S	*	*			trans	61.8	162.2	-163.4	84.5	0	0	0	0	112.6
688	C	25.4	Very low	26.2	Very low	107 Å²	107	125.3 Å²	125.3	72%	0.723	74%	0.739	S	S	*	*			cis	-123	148.9	-18.9	-110.9	0	0	0	0	106.3
689	S	26.5	Very low	26.3	Very low	92 Å²	92	126.2 Å²	126.2	64%	0.643	74%	0.735	S	S	*	*				64.2	114	75.6	-45.5	0	0	0	0	113.7
690	D	27	Very low	26.1	Very low	152 Å²	152	125.2 Å²	125.2	81%	0.813	73%	0.731	S	S	*	*			trans	78.7	159	140.2	-66.3	-51.3	0	0	0	122.3
691	P	32.5	Very low	26.2	Very low	92 Å²	92	126.4 Å²	126.4	60%	0.597	74%	0.735	S	S	*	*			trans	-134.9	-163.2	-141	46.7	-30.8	0	0	0	115
692	N	24.9	Very low	26.3	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	74%	0.737	S	S	*	*			trans	66.7	-174	165.8	-60.4	-18.7	0	0	0	114.9
693	V	25.5	Very low	26.5	Very low	120 Å²	120	125.6 Å²	125.6	73%	0.727	73%	0.733	S	S	*	*			trans	61.4	90	-174.6	-165.1	0	0	0	0	112
694	T	28.8	Very low	26.4	Very low	118 Å²	118	122 Å²	122	72%	0.724	72%	0.724	S	S	*	*				62.5	160	51	85.4	0	0	0	0	113.9
695	V	24.6	Very low	26.7	Very low	141 Å²	141	121.5 Å²	121.5	86%	0.855	73%	0.73	S	S	*	*			trans	64.9	130.5	-162.9	-162.6	0	0	0	0	111.1
696	G	25.7	Very low	26.6	Very low	52 Å²	52	120.3 Å²	120.3	54%	0.536	72%	0.715	S	S	.	*			cis	150.1	152.5	1.2	0	0	0	0	0	108.7	F698	G696-F698 PolarHBondContact O-N 3.05Å
697	D	25.7	Very low	26.5	Very low	137 Å²	137	124 Å²	124	73%	0.733	72%	0.721	S	S	*	*			trans	33.2	74.4	148	-47.6	-35.1	0	0	0	117.7	I699	D697-I699 HydrophobicContact CB-CD1 4.18Å; D697-I699 HydrophobicContact CB-CG1 4.18Å; D697-I699 WeakPolarHBondContact O-CD1 3.42Å
698	F	28.1	Very low	26.7	Very low	200 Å²	200	127.9 Å²	127.9	88%	0.877	72%	0.718	S	S	*	*			trans	-128.2	82.9	136.8	-96.8	-81.6	0	0	0	108.2	G696	G696-F698 PolarHBondContact O-N 3.05Å
699	I	28.3	Very low	26.9	Very low	104 Å²	104	127.8 Å²	127.8	53%	0.533	71%	0.71	S	S	.	*				74.5	105.6	71.8	-62.2	164.3	0	0	0	111.2	D697	D697-I699 HydrophobicContact CB-CD1 4.18Å; D697-I699 HydrophobicContact CB-CG1 4.18Å; D697-I699 WeakPolarHBondContact O-CD1 3.42Å
700	N	25	Very low	27	Very low	142 Å²	142	130 Å²	130	76%	0.759	72%	0.715	S	S	*	*			trans	40.5	170.1	137	-59.6	-21	0	0	0	122.6
701	T	23.8	Very low	27.3	Very low	115 Å²	115	129 Å²	129	71%	0.706	72%	0.715	S	S	*	*			trans	54.6	98.6	157.5	45.2	0	0	0	0	118
702	V	30.1	Very low	27.3	Very low	142 Å²	142	128 Å²	128	86%	0.861	72%	0.721	S	S	*	*				-155.1	103.3	102	167	0	0	0	0	105.4
703	E	24.8	Very low	27.8	Very low	122 Å²	122	126.3 Å²	126.3	57%	0.57	72%	0.718	S	S	*	*				63.2	122	70	-72.2	-114.4	99.9	0	0	115.8
704	K	24.8	Very low	27.9	Very low	145 Å²	145	127.2 Å²	127.2	63%	0.63	72%	0.719	S	S	*	*			trans	55.5	92.3	141.2	-66.2	167.6	-176.2	145	0	119.9	S706	K704-S706 VanDerWaalsContact C-OG 3.26Å; K704-S706 WeakPolarHBondContact CA-OG 3.19Å; K704-S706 WeakPolarHBondContact CB-OG 3.36Å
705	C	29.1	Very low	27.9	Very low	139 Å²	139	126.6 Å²	126.6	94%	0.939	72%	0.715	S	S	*	*			trans	-143	82.6	135.1	-87	0	0	0	0	107.1
706	S	25.3	Very low	28.1	Very low	80 Å²	80	128.4 Å²	128.4	56%	0.559	71%	0.712	S	S	*	*			cis	83	119.5	48.2	-52.7	0	0	0	0	113.5	K704	K704-S706 VanDerWaalsContact C-OG 3.26Å; K704-S706 WeakPolarHBondContact CA-OG 3.19Å; K704-S706 WeakPolarHBondContact CB-OG 3.36Å
707	L	24.9	Very low	28.3	Very low	137 Å²	137	136 Å²	136	72%	0.717	72%	0.724	S	S	*	*			trans	66	120.1	162.7	-50	164.5	0	0	0	115.2
708	Y	31	Very low	28.6	Very low	202 Å²	202	133.9 Å²	133.9	79%	0.792	72%	0.72	S	S	*	*				-157.2	113.4	56.7	-108.9	-95.3	0	0	0	113.5
709	N	28.2	Very low	28.9	Very low	106 Å²	106	131.2 Å²	131.2	57%	0.567	72%	0.715	S	S	*	*				51.2	135.3	122.9	-64.4	11	0	0	0	124.4
710	N	29.3	Very low	29.1	Very low	138 Å²	138	129.3 Å²	129.3	74%	0.738	72%	0.721	S	S	*	*			trans	78	145.2	137.6	-64.4	4.9	0	0	0	120.1
711	T	33	Very low	29.3	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	73%	0.728	S	S	*	*			cis	-166.9	158.8	-15	20.2	0	0	0	0	109
712	G	32.1	Very low	29.4	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	72%	0.724	S	S	*	*			trans	136.7	135.4	153.2	0	0	0	0	0	116.2
713	P	35.5	Very low	29.3	Very low	110 Å²	110	129.2 Å²	129.2	71%	0.714	72%	0.722	S	S	*	*			trans	-139.2	-168.3	-150.8	41.1	-19.4	0	0	0	117.5
714	N	28.6	Very low	29.4	Very low	140 Å²	140	129.3 Å²	129.3	75%	0.749	73%	0.731	S	S	*	*			trans	76.8	143	162.3	-56.7	-16.6	0	0	0	117.6
715	T	28.8	Very low	29.5	Very low	105 Å²	105	127.9 Å²	127.9	64%	0.644	73%	0.733	S	S	*	*			cis	-158.5	176.6	-15.2	20.3	0	0	0	0	106.6
716	F	28.9	Very low	29.3	Very low	179 Å²	179	129.7 Å²	129.7	79%	0.785	73%	0.728	S	S	*	*			cis	-117.2	-164.6	11.6	-82.9	-94.3	0	0	0	109.7
717	R	30.1	Very low	29.4	Very low	211 Å²	211	131.6 Å²	131.6	80%	0.796	74%	0.736	S	S	*	*			cis	59.8	147	36	-98.3	-157.7	171.6	159.5	-1.2	113.9
718	S	31.5	Very low	29.5	Very low	92 Å²	92	134.3 Å²	134.3	64%	0.643	75%	0.745	S	S	*	*			cis	-170.7	162.7	-4.3	34	0	0	0	0	108.9
719	D	33.2	Very low	29.5	Very low	145 Å²	145	130 Å²	130	78%	0.775	74%	0.744	S	S	*	*			cis	-170.3	171.5	-25.3	-78.4	-37.5	0	0	0	104.9
720	G	33.3	Very low	29.9	Very low	64 Å²	64	130 Å²	130	66%	0.66	75%	0.75	S	S	*	*			cis	173.8	-162.1	2.4	0	0	0	0	0	110.5
721	L	29.8	Very low	29.9	Very low	172 Å²	172	128 Å²	128	90%	0.901	75%	0.747	S	S	*	*			trans	72.4	141.8	166.1	-56.6	169.7	0	0	0	120.4
722	S	26.1	Very low	29.7	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	75%	0.749	S	S	*	*			cis	-173.7	124.8	-19	50	0	0	0	0	116.2
723	V	26.6	Very low	29.5	Very low	133 Å²	133	132.6 Å²	132.6	81%	0.806	75%	0.75	S	S	*	*			trans	60.4	178.6	151.3	-155	0	0	0	0	114.9
724	V	27	Very low	29.6	Very low	125 Å²	125	131.9 Å²	131.9	76%	0.758	75%	0.745	S	S	*	*			cis	-150.1	150.2	7.9	-145.9	0	0	0	0	107.4
725	V	26.8	Very low	29.7	Very low	114 Å²	114	129.7 Å²	129.7	69%	0.691	74%	0.741	S	S	*	*			cis	99.7	91.1	4.5	-173.5	0	0	0	0	118.3
726	H	26.1	Very low	29.8	Very low	178 Å²	178	132.3 Å²	132.3	82%	0.824	75%	0.751	S	S	*	*			trans	173.5	122.5	146.1	-98.3	-75.3	0	0	0	108.3
727	V	26.7	Very low	29.7	Very low	119 Å²	119	130.5 Å²	130.5	72%	0.721	75%	0.748	S	S	*	*			cis	86.2	104.7	43.3	-178.1	0	0	0	0	114.5
728	Q	28.1	Very low	29.6	Very low	194 Å²	194	130.1 Å²	130.1	91%	0.907	75%	0.753	S	S	*	*			trans	175.3	172.6	134.9	-95.9	173.8	10.2	0	0	114.1
729	S	29.2	Very low	29.7	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	76%	0.756	S	S	*	*			trans	-160.7	-163.1	-173.3	67.1	0	0	0	0	109.3
730	P	38.3	Very low	29.7	Very low	108 Å²	108	130.2 Å²	130.2	70%	0.701	76%	0.756	S	S	*	*			cis	-137.2	-162.6	-23	36.6	-14.7	0	0	0	114.3
731	S	27.5	Very low	29.4	Very low	96 Å²	96	134.4 Å²	134.4	67%	0.671	76%	0.763	S	S	*	*			trans	105.4	154	138.7	80.7	0	0	0	0	125.1
732	N	29	Very low	29.8	Very low	158 Å²	158	131.1 Å²	131.1	85%	0.845	75%	0.752	S	S	*	*			trans	99.9	159.4	151.8	-62.1	-20	0	0	0	124.4
733	N	28.8	Very low	30.1	Very low	140 Å²	140	135.8 Å²	135.8	75%	0.749	76%	0.761	S	S	*	*			trans	-168.5	-163.9	-152.5	-145.4	0.9	0	0	0	108.7
734	P	36.3	Very low	30.2	Very low	95 Å²	95	134.4 Å²	134.4	62%	0.617	76%	0.757	S	S	*	*			cis	-142.5	167.4	-15.2	43.1	-23.7	0	0	0	119.4
735	S	31.2	Very low	30.4	Very low	94 Å²	94	134.8 Å²	134.8	66%	0.657	76%	0.759	S	S	*	*			trans	53.8	138.1	140.3	64.8	0	0	0	0	126.5
736	N	32.1	Very low	30.5	Very low	159 Å²	159	133.8 Å²	133.8	85%	0.85	76%	0.757	S	S	*	*			trans	-159.2	165.1	148.8	-139.3	-71.9	0	0	0	114.7
737	I	26.3	Very low	30.8	Very low	141 Å²	141	133 Å²	133	72%	0.723	75%	0.754	S	S	*	*			trans	-157.4	141.6	-166.3	-68.5	156.4	0	0	0	112.9
738	F	27	Very low	30.9	Very low	204 Å²	204	134 Å²	134	90%	0.895	75%	0.751	S	S	*	*			trans	-172.4	158.3	144.1	-112	-74.6	0	0	0	116.5
739	V	34.7	Very low	30.8	Very low	118 Å²	118	130.5 Å²	130.5	72%	0.715	73%	0.734	S	S	*	*			trans	-160.2	142.1	-176.1	169	0	0	0	0	112
740	P	31.8	Very low	30.8	Very low	120 Å²	120	130.9 Å²	130.9	78%	0.779	73%	0.728	S	S	*	*				-159.4	138.9	125.4	37.1	-15.6	0	0	0	122.1
741	L	28	Very low	30	Very low	152 Å²	152	131.3 Å²	131.3	80%	0.796	72%	0.719	S	S	*	*			trans	5	177.1	135.6	-69.2	108.1	0	0	0	124.8
742	P	38.4	Very low	30	Very low	104 Å²	104	133.9 Å²	133.9	68%	0.675	73%	0.725	S	S	*	*			cis	-148.2	-155.4	-49.7	45.6	-25	0	0	0	115.4
743	K	31.6	Very low	29.9	Very low	189 Å²	189	136 Å²	136	82%	0.822	73%	0.727	S	S	*	*			trans	113.4	113.8	160.3	-67.3	-171.3	-178.5	177.5	0	117.4
744	S	29.3	Very low	30.2	Very low	104 Å²	104	134.5 Å²	134.5	73%	0.727	73%	0.725	S	S	*	*				72.3	135.6	91.8	74.7	0	0	0	0	115.7
745	V	30.9	Very low	29.6	Very low	132 Å²	132	136.5 Å²	136.5	80%	0.8	74%	0.735	S	S	*	*				-160	165.9	63	164.7	0	0	0	0	112.9
746	S	28.8	Very low	29.2	Very low	93 Å²	93	137.5 Å²	137.5	65%	0.65	74%	0.737	S	S	*	*			trans	-82.6	167.6	-178.3	55.3	0	0	0	0	118
747	Q	31.9	Very low	28.8	Very low	162 Å²	162	136.2 Å²	136.2	76%	0.757	73%	0.73	S	S	*	*				177.5	158.8	124.1	-103.9	173	-3	0	0	117.6
748	H	29.9	Very low	28.7	Very low	140 Å²	140	134.7 Å²	134.7	65%	0.648	72%	0.723	S	S	*	*			trans	49.9	151.6	150.2	-67.9	-63.9	0	0	0	123
749	Q	26.3	Very low	28.5	Very low	121 Å²	121	134 Å²	134	57%	0.565	72%	0.721	S	S	*	*			cis	-166.6	179.5	-26.5	-152.8	168.7	-12.3	0	0	110.8
750	N	28.4	Very low	28	Very low	119 Å²	119	138.1 Å²	138.1	64%	0.636	72%	0.723	S	S	*	*			trans	74.4	134.9	168	-54.7	-17.6	0	0	0	117
751	F	22.3	Very low	27.8	Very low	117 Å²	117	135.3 Å²	135.3	51%	0.513	70%	0.702	S	S	.	*			cis	73.9	136	36.5	-67.9	-100.2	0	0	0	112.6	Q273	Q273-F751 HydrophobicContact CG-CD2 4.39Å; Q273-F751 HydrophobicContact CG-CE1 4.25Å; Q273-F751 HydrophobicContact CG-CE2 3.75Å; Q273-F751 HydrophobicContact CG-CZ 3.68Å
752	D	27.9	Very low	27.7	Very low	150 Å²	150	131.5 Å²	131.5	80%	0.802	68%	0.682	S	S	*	*			cis	-143.3	-171.6	33.7	-101.5	-57.4	0	0	0	117.2
753	F	25.3	Very low	27.1	Very low	203 Å²	203	131.3 Å²	131.3	89%	0.89	68%	0.675	S	S	*	*			trans	-109	-115.5	177.4	-100.8	-88.7	0	0	0	115.2
754	P	36	Very low	27.1	Very low	107 Å²	107	126.8 Å²	126.8	70%	0.695	66%	0.66	S	S	*	*				-134.3	139.1	-123.1	40.5	-21.7	0	0	0	119.2
755	T	22.9	Very low	27	Very low	137 Å²	137	124.9 Å²	124.9	84%	0.84	64%	0.641	S	S	*	*			trans	-156	147.7	161.8	30.3	0	0	0	0	109.4
756	V	22.7	Very low	26.8	Very low	115 Å²	115	123.4 Å²	123.4	70%	0.697	63%	0.628	S	S	*	*			cis	112.8	132.6	21.7	160.5	0	0	0	0	110.6
757	N	24	Very low	27	Very low	133 Å²	133	124.8 Å²	124.8	71%	0.711	62%	0.623	S	S	*	*			trans	66.1	162.7	175.1	-63.1	-12.8	0	0	0	116.6
758	N	23.9	Very low	26.8	Very low	108 Å²	108	119.1 Å²	119.1	58%	0.578	60%	0.598	S	S	*	*			cis	-169.9	166.1	-32.7	-94.3	-18.6	0	0	0	107.8
759	F	22.8	Very low	26.7	Very low	191 Å²	191	115.8 Å²	115.8	84%	0.838	59%	0.59	S	S	*	*			trans	62	-179	161.9	-59.4	-52.1	0	0	0	113.9
760	R	25.8	Very low	26.8	Very low	203 Å²	203	118.6 Å²	118.6	77%	0.766	60%	0.603	S	S	*	*			cis	-157.3	164.9	-21.3	-122.8	-179.8	124.6	151.1	2	106.3
761	D	26.1	Very low	26.6	Very low	62 Å²	62	120.8 Å²	120.8	33%	0.332	61%	0.612	S	S	.	*			cis	-152	175.2	-6.5	-155.3	2.3	0	0	0	111.3	L844 L845	D761-L844 CarbonylContact C-O 3.43Å; D761-L844 CarbonylContact O-C 3.37Å; D761-L845 PolarHBondContact O-N 3.08Å; D761-L845 VanDerWaalsContact O-N 3.14Å
762	N	25.8	Very low	26.7	Very low	72 Å²	72	122 Å²	122	39%	0.385	62%	0.622	S	S	.	*			trans	-47.2	148.7	162.5	-58.9	-96.7	0	0	0	112.9	V843	N762-V843 VanDerWaalsContact CA-CG1 3.46Å; N762-V843 HydrophobicContact CB-CG1 4.22Å
763	L	27.7	Very low	26.6	Very low	99 Å²	99	120.2 Å²	120.2	52%	0.518	62%	0.617	S	S	.	*				-153.7	165.7	70.1	-100.2	59.4	0	0	0	109.4	V843	L763-V843 VanDerWaalsContact O-CG1 3.3Å; L763-V843 WeakPolarHBondContact O-CG1 3.19Å
764	D	30.6	Very low	26.5	Very low	95 Å²	95	117.7 Å²	117.7	51%	0.508	61%	0.611	S	S	.	*			cis	-141.8	163.3	0.5	-93.4	-48.9	0	0	0	108	V843	D764-V843 WeakPolarHBondContact O-CG2 3.01Å
765	N	27	Very low	25.9	Very low	63 Å²	63	117 Å²	117	34%	0.337	62%	0.615	S	S	.	*			cis	72.3	149.4	40.6	-38.1	-28.5	0	0	0	112	E841 P842	N765-E841 VanDerWaalsContact OD1-CD 3.28Å; N765-E841 VanDerWaalsContact OD1-CG 3.32Å; N765-E841 WeakPolarHBondContact OD1-CG 3.42Å; N765-E841 PolarHBondContact OD1-OE2 2.95Å; N765-P842 WeakPolarHBondContact OD1-CB 3.45Å; N765-P842 WeakPolarHBondContact OD1-CG 3.4Å
766	L	27.7	Very low	26.1	Very low	101 Å²	101	114.3 Å²	114.3	53%	0.529	61%	0.606	S	S	.	*			cis	-137.8	-169.3	1	-103.3	116	0	0	0	107.3	Y839	L766-Y839 HydrophobicContact CD2-CE1 3.92Å; L766-Y839 WeakPolarHBondContact CD2-OH 3.38Å
767	K	33.1	Very low	26.4	Very low	122 Å²	122	117.8 Å²	117.8	53%	0.53	61%	0.612	S	S	.	*			cis	-131.3	-150.2	2.3	-110.2	175.9	-168.1	170.9	0	106.3	D837 A838	K767-D837 VanDerWaalsContact CA-OD1 3.24Å; K767-D837 WeakPolarHBondContact CA-OD1 3.37Å; K767-D837 HydrophobicContact CB-CB 4.46Å; K767-D837 WeakPolarHBondContact CB-OD1 3.46Å; K767-D837 VanDerWaalsContact CB-OD2 3.24Å; K767-D837 WeakPolarHBondContact CB-OD2 3.22Å; K767-D837 PolarHBondContact N-OD1 3.31Å; K767-D837 VanDerWaalsContact N-OD1 3.1Å; K767-A838 WeakPolarHBondContact O-CB 3.45Å; K767-A838 PolarHBondContact O-N 2.86Å
768	N	27.2	Very low	26.5	Very low	43 Å²	43	121.9 Å²	121.9	23%	0.23	62%	0.617	C	S	.	*			cis	141.5	62.5	-27.4	-61.2	20	0	0	0	120.9	D837 A838 Y839	N768-D837 PolarHBondContact N-OD1 3.39Å; N768-A838 WeakPolarHBondContact OD1-CA 3.41Å; N768-A838 PolarHBondContact OD1-N 3.28Å; N768-A838 PolarHBondContact OD1-O 3.16Å; N768-Y839 HydrophobicContact CB-CD1 3.64Å; N768-Y839 HydrophobicContact CB-CD2 3.32Å; N768-Y839 HydrophobicContact CB-CE1 3.66Å; N768-Y839 HydrophobicContact CB-CE2 3.32Å; N768-Y839 HydrophobicContact CB-CG 3.44Å; N768-Y839 VanDerWaalsContact CB-CG 3.44Å; N768-Y839 VanDerWaalsContact CB-CZ 3.46Å; N768-Y839 VanDerWaalsContact CG-CD2 3.5Å; N768-Y839 VanDerWaalsContact CG-CG 3.43Å; N768-Y839 WeakPolarHBondContact ND2-CB 3.22Å; N768-Y839 WeakPolarHBondContact ND2-CD2 3.44Å; N768-Y839 PolarHBondContact OD1-N 3.22Å
769	S	26.4	Very low	26.7	Very low	71 Å²	71	125.3 Å²	125.3	50%	0.497	62%	0.623	S	S	.	*			trans	83.4	173.3	131.6	54.2	0	0	0	0	122.1
770	E	29.7	Very low	27	Very low	179 Å²	179	121.1 Å²	121.1	84%	0.836	62%	0.618	S	S	*	*			trans	79.4	116.5	171.5	-54.6	-175.5	168.2	0	0	114.4
771	M	22.8	Very low	27	Very low	166 Å²	166	118.1 Å²	118.1	82%	0.818	61%	0.613	S	S	*	*			cis	75.9	122.2	18.7	-125.9	-64	-140.4	0	0	114.1
772	I	24.7	Very low	27	Very low	143 Å²	143	123.9 Å²	123.9	73%	0.733	64%	0.635	S	S	*	*			trans	70.9	146.5	-176.8	-31.9	166.6	0	0	0	109.5
773	T	25.7	Very low	27.1	Very low	112 Å²	112	124.7 Å²	124.7	69%	0.687	65%	0.646	S	S	*	*			cis	-159.9	140.9	36.3	-40.7	0	0	0	0	113.8
774	I	24.1	Very low	27.4	Very low	150 Å²	150	127.5 Å²	127.5	77%	0.769	66%	0.656	S	S	*	*			trans	20.1	125.4	145	-57	166.6	0	0	0	121.4
775	A	23.2	Very low	27.1	Very low	93 Å²	93	129 Å²	129	77%	0.769	67%	0.665	S	S	*	*			trans	62.8	167.4	150.5	0	0	0	0	0	118.4
776	A	26.1	Very low	27.2	Very low	80 Å²	80	133.4 Å²	133.4	66%	0.661	68%	0.683	S	S	*	*			cis	-159.3	168.4	17.4	0	0	0	0	0	113.9
777	K	30	Very low	27.2	Very low	188 Å²	188	134 Å²	134	82%	0.817	69%	0.691	S	S	*	*			trans	63.9	131.5	159.2	-63.6	162.7	-175.8	176.8	0	116.4
778	R	26.4	Very low	26.9	Very low	218 Å²	218	134 Å²	134	82%	0.823	70%	0.697	S	S	*	*			cis	80	150.7	47.1	-77.3	-167.2	173.2	178.1	-1.5	114
779	Y	27.4	Very low	26.7	Very low	180 Å²	180	138.3 Å²	138.3	71%	0.706	72%	0.719	S	S	*	*			trans	76.7	139.5	-174.8	-58.7	-76.3	0	0	0	114.4
780	S	28.9	Very low	26.8	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	74%	0.736	S	S	*	*			cis	-135.3	153.6	-1.4	63.9	0	0	0	0	109.4
781	E	26.8	Very low	26.6	Very low	141 Å²	141	143.9 Å²	143.9	66%	0.659	73%	0.73	S	S	*	*				51.8	120	59.6	-76.1	161	-147.2	0	0	109.7
782	F	25.9	Very low	26.6	Very low	183 Å²	183	142.2 Å²	142.2	80%	0.803	73%	0.725	S	S	*	*			cis	-142.1	-178.2	24.9	-112.1	-154.8	0	0	0	108.2
783	S	27.8	Very low	26.6	Very low	88 Å²	88	140 Å²	140	62%	0.615	72%	0.722	S	S	*	*			cis	-169.9	-164.6	-12	52.7	0	0	0	0	106.6
784	Q	33.3	Very low	26.6	Very low	158 Å²	158	140 Å²	140	74%	0.738	73%	0.726	S	S	*	*			cis	-151.4	-136.2	-0.5	-151.4	163	0.5	0	0	110.8
785	N	24.6	Very low	26.8	Very low	128 Å²	128	136.9 Å²	136.9	68%	0.684	72%	0.723	S	S	*	*			trans	-114.3	-176.3	-179.9	-45.5	-43	0	0	0	108.3
786	Q	30.3	Very low	26.9	Very low	154 Å²	154	140.4 Å²	140.4	72%	0.72	72%	0.724	S	S	*	*			cis	-119.1	167.7	4	-90.9	102	-27.8	0	0	109.3
787	T	26.5	Very low	26.8	Very low	114 Å²	114	142.6 Å²	142.6	70%	0.699	72%	0.724	S	S	*	*			cis	72.6	155.6	37.5	71.7	0	0	0	0	116.4
788	D	26.7	Very low	26.6	Very low	123 Å²	123	141.7 Å²	141.7	66%	0.658	72%	0.723	S	S	*	*			trans	77	126.7	179.4	-45.6	-42	0	0	0	115.2
789	I	24.1	Very low	26.5	Very low	133 Å²	133	135.7 Å²	135.7	68%	0.682	72%	0.715	S	S	*	*			cis	98.2	158.1	33.2	-64.1	165.9	0	0	0	111
790	W	28.3	Very low	26.4	Very low	227 Å²	227	137.4 Å²	137.4	86%	0.86	72%	0.721	S	S	*	*			trans	77.8	117.4	-163.6	-56.2	73.1	0	0	0	112.4
791	I	24.3	Very low	26.1	Very low	139 Å²	139	137.9 Å²	137.9	71%	0.713	72%	0.723	S	S	*	*			cis	86	139.9	22.6	-48.1	174.8	0	0	0	113.3
792	D	24.3	Very low	26.5	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	73%	0.729	S	S	*	*			trans	70.8	150.1	177.1	-73.1	-46.9	0	0	0	117.9
793	S	24.4	Very low	26.7	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	73%	0.727	S	S	*	*			cis	-162.7	-168.7	-29.3	-116.3	0	0	0	0	110.3
794	S	25.4	Very low	26.6	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	73%	0.732	S	S	*	*			trans	-20.3	149.6	161.5	59.8	0	0	0	0	117.6
795	A	28	Very low	26.8	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	74%	0.735	S	S	*	*			cis	-161.2	167.6	26.3	0	0	0	0	0	114.3
796	E	25.7	Very low	27.7	Very low	167 Å²	167	135.5 Å²	135.5	78%	0.78	74%	0.737	S	S	*	*			trans	32	138.4	133.8	-67.5	-168.4	-178	0	0	125.1
797	N	24.8	Very low	28.1	Very low	126 Å²	126	132.9 Å²	132.9	67%	0.674	73%	0.733	S	S	*	*			trans	83.8	144.2	134.3	-78.7	-37	0	0	0	122.7
798	Q	25.8	Very low	28.3	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	73%	0.732	S	S	*	*			trans	66.9	97.9	155.6	-69.4	170.1	28.5	0	0	120.5
799	S	24.3	Very low	28.5	Very low	92 Å²	92	135.1 Å²	135.1	64%	0.643	74%	0.736	S	S	*	*				33.4	138.7	119	61.5	0	0	0	0	122.1
800	Y	24.2	Very low	28.9	Very low	215 Å²	215	134.1 Å²	134.1	84%	0.843	74%	0.735	S	S	*	*			trans	88.5	130.8	166	-70.6	-81.7	0	0	0	118.8
801	C	23.8	Very low	29.1	Very low	114 Å²	114	129.3 Å²	129.3	77%	0.77	73%	0.727	S	S	*	*			trans	51.8	128.3	147.5	-62.2	0	0	0	0	122.6
802	V	34.4	Very low	29.4	Very low	129 Å²	129	131.4 Å²	131.4	78%	0.782	73%	0.734	S	S	*	*			trans	-58.3	148.2	166	173.8	0	0	0	0	112.9
803	P	29.8	Very low	29.5	Very low	115 Å²	115	129.9 Å²	129.9	75%	0.747	73%	0.729	S	S	*	*			trans	-125	109.8	144.1	30.8	-16.7	0	0	0	113.5
804	N	26.1	Very low	29.6	Very low	136 Å²	136	132 Å²	132	73%	0.727	73%	0.732	S	S	*	*			trans	31.1	131.6	135.3	-50.3	-25.2	0	0	0	122.8
805	I	37.1	Very low	29.6	Very low	156 Å²	156	132.3 Å²	132.3	80%	0.8	73%	0.725	S	S	*	*				-15.3	167.4	117.5	31.9	169.6	0	0	0	116.6
806	P	42.6	Very low	29.6	Very low	111 Å²	111	135.5 Å²	135.5	72%	0.721	73%	0.729	S	S	*	*			cis	-135.8	-143.6	29.8	35.2	-8.1	0	0	0	110
807	P	40.7	Very low	29.5	Very low	99 Å²	99	134.9 Å²	134.9	64%	0.643	73%	0.731	S	S	*	*			cis	-139.4	168.2	-3.8	43	-24.4	0	0	0	118.9
808	N	29.6	Very low	29.5	Very low	126 Å²	126	134.4 Å²	134.4	67%	0.674	73%	0.732	S	S	*	*			trans	46.3	170.6	140.4	-56.6	7.3	0	0	0	121.1
809	E	32.1	Very low	29.5	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	73%	0.732	S	S	*	*			cis	-128.2	135	1.7	-112.8	103.6	-127.8	0	0	107.8
810	V	30.7	Very low	29.6	Very low	112 Å²	112	136.6 Å²	136.6	68%	0.679	74%	0.741	S	S	*	*				90.6	141.3	64.4	167.5	0	0	0	0	113.5
811	D	32.2	Very low	29.8	Very low	126 Å²	126	130.4 Å²	130.4	67%	0.674	74%	0.742	S	S	*	*			trans	-59.3	155.6	-176	-51.5	-96.7	0	0	0	115.5	T813	D811-T813 HydrophobicContact CB-CG2 4.2Å
812	Q	31.7	Very low	29.9	Very low	184 Å²	184	129.6 Å²	129.6	86%	0.86	74%	0.738	S	S	*	*			trans	-162.1	140.1	133.3	-103.5	141.1	100.6	0	0	110.2
813	T	26.8	Very low	29.6	Very low	100 Å²	100	130.6 Å²	130.6	61%	0.613	73%	0.734	S	S	*	*			cis	176.5	-173.6	-37.1	29.8	0	0	0	0	107.1	D811	D811-T813 HydrophobicContact CB-CG2 4.2Å
814	L	26.7	Very low	29.5	Very low	139 Å²	139	128.9 Å²	128.9	73%	0.728	73%	0.729	S	S	*	*			trans	81.1	125.3	152.1	-97.1	62.8	0	0	0	119
815	D	25.2	Very low	29.5	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	73%	0.732	S	S	*	*			trans	81.2	98.8	135.7	-58	-13.5	0	0	0	122.2
816	L	26.4	Very low	29	Very low	151 Å²	151	129.9 Å²	129.9	79%	0.791	73%	0.728	S	S	*	*				48.1	147.8	96.6	-64.2	170.4	0	0	0	119.3
817	L	24.2	Very low	28.2	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	73%	0.725	S	S	*	*			trans	81.6	103.3	165.9	-59.9	173.4	0	0	0	118.2
818	V	24.8	Very low	27.6	Very low	116 Å²	116	129.7 Å²	129.7	70%	0.703	73%	0.727	S	S	*	*				67.2	134	111.7	170.9	0	0	0	0	120.2
819	I	26.5	Very low	27.7	Very low	152 Å²	152	131.1 Å²	131.1	78%	0.779	73%	0.73	S	S	*	*			trans	80	155.7	160.2	-80.2	163.8	0	0	0	119.1
820	D	25.8	Very low	27.7	Very low	156 Å²	156	129.9 Å²	129.9	83%	0.834	73%	0.733	S	S	*	*			trans	-61.1	156.2	-177.3	-46	-89.3	0	0	0	114.6
821	G	28.8	Very low	27.8	Very low	84 Å²	84	129.9 Å²	129.9	87%	0.866	74%	0.735	S	S	*	*			trans	-164.2	93.8	177.8	0	0	0	0	0	113.5
822	S	25.9	Very low	27.6	Very low	98 Å²	98	129 Å²	129	69%	0.685	73%	0.734	S	S	*	*			trans	-96.6	151.7	-176	66.2	0	0	0	0	114.3
823	Q	27.2	Very low	27.4	Very low	149 Å²	149	129.2 Å²	129.2	70%	0.696	74%	0.735	S	S	*	*			trans	79.9	134.6	156.1	-58	172.2	31.6	0	0	120.1
824	A	28.3	Very low	27.6	Very low	79 Å²	79	127.6 Å²	127.6	65%	0.653	74%	0.738	S	S	*	*			trans	52.3	158.1	137.2	0	0	0	0	0	119.8
825	F	26.5	Very low	27.8	Very low	179 Å²	179	126 Å²	126	79%	0.785	74%	0.739	S	S	*	*			cis	-133	150.7	22.8	-87.7	-113.2	0	0	0	109.7
826	N	26.2	Very low	28.1	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	75%	0.745	S	S	*	*			cis	90.6	154.8	47.3	-152.6	18.4	0	0	0	113
827	S	26.2	Very low	28.3	Very low	95 Å²	95	123.5 Å²	123.5	66%	0.664	73%	0.725	S	S	*	*			trans	75	145.8	177.6	-35.8	0	0	0	0	115.8
828	T	27.6	Very low	28.8	Very low	111 Å²	111	120 Å²	120	68%	0.681	72%	0.719	S	S	*	*			cis	-153.5	175	-2.2	-9.3	0	0	0	0	111.8
829	E	32.2	Very low	29.2	Very low	156 Å²	156	119.3 Å²	119.3	73%	0.729	70%	0.704	S	S	*	*			trans	58.1	107.3	155.9	-71.6	141.6	-114.7	0	0	117.6
830	V	31.1	Very low	29.6	Very low	132 Å²	132	118.1 Å²	118.1	80%	0.8	70%	0.695	S	S	*	*			cis	45.6	150.2	41.5	-92.6	0	0	0	0	115.5
831	P	32.7	Very low	30	Very low	113 Å²	113	114.8 Å²	114.8	73%	0.734	68%	0.675	S	S	*	*			cis	-136	-151.7	-5.1	23.5	3.8	0	0	0	114.2
832	V	28.2	Very low	30.3	Very low	108 Å²	108	114 Å²	114	66%	0.655	65%	0.654	S	S	*	*			trans	112.1	109.3	144	177.5	0	0	0	0	121.1
833	E	28.1	Very low	30.6	Very low	187 Å²	187	111.4 Å²	111.4	87%	0.874	63%	0.634	S	S	*	*			trans	60.2	158.4	138.1	-67.2	165.1	-156.3	0	0	126.4
834	G	31.1	Very low	30.7	Very low	66 Å²	66	110.8 Å²	110.8	68%	0.68	64%	0.635	S	S	*	*			trans	118.2	51.2	152.8	0	0	0	0	0	118.4
835	S	30.7	Very low	30.7	Very low	107 Å²	107	111.7 Å²	111.7	75%	0.748	63%	0.628	S	S	*	*				52.1	128.4	75.3	73.5	0	0	0	0	116.3
836	L	32.6	Very low	31.1	Very low	144 Å²	144	107.1 Å²	107.1	75%	0.754	62%	0.624	S	S	*	*			cis	-167.5	-149.8	-14	-154.3	73.8	0	0	0	109.8
837	D	29.8	Very low	31.7	Very low	72 Å²	72	106 Å²	106	39%	0.385	62%	0.624	S	S	.	*			trans	101.2	130.9	138.7	-72.1	-16.5	0	0	0	123.2	K767 N768	K767-D837 VanDerWaalsContact CA-OD1 3.24Å; K767-D837 WeakPolarHBondContact CA-OD1 3.37Å; K767-D837 HydrophobicContact CB-CB 4.46Å; K767-D837 WeakPolarHBondContact CB-OD1 3.46Å; K767-D837 VanDerWaalsContact CB-OD2 3.24Å; K767-D837 WeakPolarHBondContact CB-OD2 3.22Å; K767-D837 PolarHBondContact N-OD1 3.31Å; K767-D837 VanDerWaalsContact N-OD1 3.1Å; N768-D837 PolarHBondContact N-OD1 3.39Å
838	A	33.8	Very low	31.9	Very low	81 Å²	81	108.1 Å²	108.1	67%	0.669	63%	0.628	S	S	*	*			trans	-106.3	-106.5	-150.1	0	0	0	0	0	120.7	K767 N768	K767-A838 WeakPolarHBondContact O-CB 3.45Å; K767-A838 PolarHBondContact O-N 2.86Å; N768-A838 WeakPolarHBondContact OD1-CA 3.41Å; N768-A838 PolarHBondContact OD1-N 3.28Å; N768-A838 PolarHBondContact OD1-O 3.16Å
839	Y	34.1	Very low	32.2	Very low	103 Å²	103	109.4 Å²	109.4	40%	0.404	63%	0.63	S	S	.	*			cis	-117.6	156.1	23	-129	-18.1	0	0	0	115	L766 N768	L766-Y839 HydrophobicContact CD2-CE1 3.92Å; L766-Y839 WeakPolarHBondContact CD2-OH 3.38Å; N768-Y839 HydrophobicContact CB-CD1 3.64Å; N768-Y839 HydrophobicContact CB-CD2 3.32Å; N768-Y839 HydrophobicContact CB-CE1 3.66Å; N768-Y839 HydrophobicContact CB-CE2 3.32Å; N768-Y839 HydrophobicContact CB-CG 3.44Å; N768-Y839 VanDerWaalsContact CB-CG 3.44Å; N768-Y839 VanDerWaalsContact CB-CZ 3.46Å; N768-Y839 VanDerWaalsContact CG-CD2 3.5Å; N768-Y839 VanDerWaalsContact CG-CG 3.43Å; N768-Y839 WeakPolarHBondContact ND2-CB 3.22Å; N768-Y839 WeakPolarHBondContact ND2-CD2 3.44Å; N768-Y839 PolarHBondContact OD1-N 3.22Å
840	Q	34	Very low	32.1	Very low	126 Å²	126	108 Å²	108	59%	0.589	63%	0.632	S	S	*	*			trans	65.8	138.7	139.5	-83.4	154.9	-3.5	0	0	123
841	E	34.8	Very low	32.1	Very low	87 Å²	87	108.3 Å²	108.3	41%	0.407	63%	0.629	S	S	.	*			cis	172.7	171.1	-31.1	-100.5	157	-149.1	0	0	107.5	N765	N765-E841 VanDerWaalsContact OD1-CD 3.28Å; N765-E841 VanDerWaalsContact OD1-CG 3.32Å; N765-E841 WeakPolarHBondContact OD1-CG 3.42Å; N765-E841 PolarHBondContact OD1-OE2 2.95Å
842	P	34.8	Very low	31.9	Very low	66 Å²	66	106.9 Å²	106.9	43%	0.429	62%	0.622	S	S	.	*			cis	-146.4	172.9	-41.2	41.4	-23.5	0	0	0	118.6	N765	N765-P842 WeakPolarHBondContact OD1-CB 3.45Å; N765-P842 WeakPolarHBondContact OD1-CG 3.4Å
843	V	32.1	Very low	32.1	Very low	44 Å²	44	106.6 Å²	106.6	27%	0.267	63%	0.625	S	S	.	*			trans	63.4	126.6	131.8	167.4	0	0	0	0	121.5	N762 L763 D764	N762-V843 VanDerWaalsContact CA-CG1 3.46Å; N762-V843 HydrophobicContact CB-CG1 4.22Å; L763-V843 VanDerWaalsContact O-CG1 3.3Å; L763-V843 WeakPolarHBondContact O-CG1 3.19Å; D764-V843 WeakPolarHBondContact O-CG2 3.01Å
844	L	29.2	Very low	32.4	Very low	137 Å²	137	107.4 Å²	107.4	72%	0.717	63%	0.625	S	S	*	*				65.2	175.6	77.6	-53.2	177.1	0	0	0	113.2	D761	D761-L844 CarbonylContact C-O 3.43Å; D761-L844 CarbonylContact O-C 3.37Å
845	L	28.4	Very low	32.2	Very low	97 Å²	97	114 Å²	114	51%	0.508	64%	0.636	S	S	.	*			cis	-118.6	-173.7	-0.6	-65.9	161.1	0	0	0	110.9	D761	D761-L845 PolarHBondContact O-N 3.08Å; D761-L845 VanDerWaalsContact O-N 3.14Å
846	A	34.6	Very low	32.3	Very low	83 Å²	83	114.3 Å²	114.3	69%	0.686	64%	0.636	S	S	*	*			cis	81.7	153.3	8.2	0	0	0	0	0	118.5
847	P	39.9	Very low	31.9	Very low	111 Å²	111	112 Å²	112	72%	0.721	63%	0.631	S	S	*	*			cis	-131.7	-163	-17.6	28.4	-2.7	0	0	0	113.6
848	D	30.2	Very low	31.7	Very low	139 Å²	139	115.1 Å²	115.1	74%	0.743	65%	0.648	S	S	*	*				165.3	154.3	121.8	-88.3	-8	0	0	0	118
849	N	34	Very low	31.3	Very low	138 Å²	138	116.8 Å²	116.8	74%	0.738	65%	0.645	S	S	*	*			trans	65.7	121.5	171.7	-61.6	-50.9	0	0	0	119.2
850	V	30.2	Very low	31	Very low	126 Å²	126	117.7 Å²	117.7	76%	0.764	66%	0.657	S	S	*	*			cis	79.7	127.1	35.6	-176.9	0	0	0	0	111.6
851	D	30.1	Very low	30.7	Very low	140 Å²	140	118.3 Å²	118.3	75%	0.749	66%	0.663	S	S	*	*			cis	-134.9	-156.6	3.5	-153.6	25.5	0	0	0	109.9
852	S	29	Very low	30.2	Very low	83 Å²	83	121.1 Å²	121.1	58%	0.58	68%	0.68	S	S	*	*			cis	-160.6	163	4	-157.6	0	0	0	0	114.2
853	S	33.5	Very low	30.2	Very low	102 Å²	102	122.6 Å²	122.6	71%	0.713	69%	0.69	S	S	*	*			trans	69.2	147.8	155.3	81.5	0	0	0	0	119.1
854	K	34.4	Very low	29.8	Very low	203 Å²	203	127.8 Å²	127.8	88%	0.883	72%	0.715	S	S	*	*			cis	-158.3	156.7	-28.8	-121.5	168.5	-176.5	175.6	0	109.4
855	F	25.5	Very low	29.5	Very low	204 Å²	204	127.7 Å²	127.7	90%	0.895	72%	0.715	S	S	*	*			trans	-73.2	177.8	168.3	-80.7	-93.6	0	0	0	112.1
856	P	32.6	Very low	29.3	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	73%	0.725	S	S	*	*			cis	-133.3	-162.2	-9.2	28.4	-3.3	0	0	0	114.5
857	S	25.5	Very low	29	Very low	95 Å²	95	131.3 Å²	131.3	66%	0.664	73%	0.728	S	S	*	*			trans	-50.2	148.9	170.3	51.1	0	0	0	0	119.1
858	N	25.4	Very low	28.5	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	73%	0.728	S	S	*	*				-176.3	158.2	117	-95.6	-20.2	0	0	0	114.4
859	L	25.6	Very low	28.8	Very low	117 Å²	117	132 Å²	132	61%	0.613	73%	0.729	S	S	*	*			trans	24.9	132.7	140.5	-52.9	165	0	0	0	117.8
860	N	27.8	Very low	28.5	Very low	121 Å²	121	133.6 Å²	133.6	65%	0.647	73%	0.73	S	S	*	*			cis	-159.5	173.2	15.2	-95.1	-11	0	0	0	108.7
861	I	26.5	Very low	28.3	Very low	140 Å²	140	135.3 Å²	135.3	72%	0.718	73%	0.732	S	S	*	*			cis	81.2	123.7	28.5	-58.3	173.3	0	0	0	112.5
862	D	25.9	Very low	28.2	Very low	145 Å²	145	134 Å²	134	78%	0.775	73%	0.732	S	S	*	*			cis	-132.7	-120.6	-2.8	-134.3	-11.8	0	0	0	112.3
863	P	34	Very low	28.2	Very low	97 Å²	97	133.7 Å²	133.7	63%	0.63	74%	0.735	S	S	*	*				-129	-178	-108	42.1	-25	0	0	0	117.7
864	L	23.3	Very low	27.9	Very low	153 Å²	153	135.7 Å²	135.7	80%	0.801	74%	0.742	S	S	*	*			trans	79.8	133.5	158.6	-59.2	173.3	0	0	0	122.5
865	L	23.2	Very low	27.8	Very low	135 Å²	135	134.4 Å²	134.4	71%	0.707	74%	0.739	S	S	*	*			trans	67.6	134.4	140.9	-99.7	64.8	0	0	0	124.6
866	N	24.6	Very low	28.3	Very low	135 Å²	135	129.5 Å²	129.5	72%	0.722	73%	0.728	S	S	*	*			trans	63.2	145.1	143	-66.7	-10	0	0	0	118.7
867	T	28.1	Very low	28	Very low	121 Å²	121	131.6 Å²	131.6	74%	0.742	73%	0.732	S	S	*	*			cis	-154.1	-168.8	-2.4	4.2	0	0	0	0	107.4
868	Q	29.2	Very low	28	Very low	155 Å²	155	135.5 Å²	135.5	72%	0.724	74%	0.74	S	S	*	*			cis	-155.2	145.1	3.7	-143.3	-174.8	81.2	0	0	108.9
869	S	35.9	Very low	28	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	75%	0.747	S	S	*	*			trans	166.6	102.6	149.8	40.2	0	0	0	0	113.5
870	F	28.3	Very low	28.1	Very low	171 Å²	171	139.7 Å²	139.7	75%	0.75	75%	0.753	S	S	*	*			trans	13	105.5	158.8	-63	-85.6	0	0	0	119.5
871	M	26.1	Very low	28.1	Very low	163 Å²	163	139.7 Å²	139.7	80%	0.803	75%	0.752	S	S	*	*				73.8	127.6	85.7	-74.6	-169.8	152.3	0	0	114.5
872	C	27.3	Very low	27.9	Very low	111 Å²	111	136.8 Å²	136.8	75%	0.75	74%	0.742	S	S	*	*			cis	-162.6	162.6	2.1	-100.8	0	0	0	0	109.2
873	A	29	Very low	27.9	Very low	78 Å²	78	134.4 Å²	134.4	65%	0.645	73%	0.732	S	S	*	*			cis	-171.8	172.2	-20.8	0	0	0	0	0	110.2
874	V	28	Very low	27.5	Very low	144 Å²	144	133.7 Å²	133.7	87%	0.873	72%	0.723	S	S	*	*			trans	72.2	137.3	167.5	-157.3	0	0	0	0	117.8
875	E	32.3	Very low	27.6	Very low	175 Å²	175	130.2 Å²	130.2	82%	0.818	70%	0.704	S	S	*	*			trans	-117	-155.1	-163.8	-43.1	-170.8	105.6	0	0	111.7
876	P	35.4	Very low	27.6	Very low	101 Å²	101	128.2 Å²	128.2	66%	0.656	70%	0.701	S	S	*	*			cis	-136.4	-177.6	-12.8	28.1	-3.5	0	0	0	117.2
877	L	26	Very low	27.7	Very low	159 Å²	159	132.3 Å²	132.3	83%	0.832	71%	0.708	S	S	*	*			trans	83.6	147.1	150.1	-83.3	158.8	0	0	0	123.2
878	E	26.4	Very low	27.6	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	70%	0.704	S	S	*	*			trans	55.3	115.6	167.7	-65.1	-164.1	171.9	0	0	122.6
879	K	26.2	Very low	27.5	Very low	204 Å²	204	128.1 Å²	128.1	89%	0.887	71%	0.705	S	S	*	*			trans	-120.2	103.6	149.5	-62.5	164	-171.2	148.8	0	108.4
880	D	25.9	Very low	27	Very low	139 Å²	139	130.1 Å²	130.1	74%	0.743	71%	0.707	S	S	*	*				-177.2	164.5	101.9	-118.5	-28.4	0	0	0	116.9
881	L	29	Very low	26.9	Very low	120 Å²	120	126.5 Å²	126.5	63%	0.628	70%	0.699	S	S	*	*			trans	44.6	80	154.7	-89.7	70.5	0	0	0	121.3	K1653	L881-K1653 PolarHBondContact O-NZ 3.13Å; L881-K1653 VanDerWaalsContact O-NZ 3.14Å
882	T	22.9	Very low	27	Very low	80 Å²	80	128.6 Å²	128.6	49%	0.491	70%	0.7	S	S	.	*				101.6	130.9	126.7	75.4	0	0	0	0	121.9	K1653 R1665	T882-K1653 PolarHBondContact OG1-NZ 3.47Å; T882-R1665 PolarHBondContact O-NH1 3.18Å
883	T	25.3	Very low	27	Very low	95 Å²	95	129.4 Å²	129.4	58%	0.583	70%	0.702	S	S	*	*			trans	62.9	123.8	153.3	45.3	0	0	0	0	119.3	R1665	T883-R1665 PolarHBondContact O-NH1 3.32Å; T883-R1665 VanDerWaalsContact O-NH1 3.11Å; T883-R1665 PolarHBondContact OG1-NH1 3.19Å
884	N	24.5	Very low	26.7	Very low	82 Å²	82	131.7 Å²	131.7	44%	0.439	71%	0.708	S	S	.	*			trans	115.1	152.4	163.6	-61.6	-67.2	0	0	0	114.5	I1648 R1665	N884-I1648 HydrophobicContact CB-CD1 4.11Å; N884-I1648 HydrophobicContact CB-CG2 3.82Å; N884-I1648 WeakPolarHBondContact ND2-CD1 3.28Å; N884-I1648 WeakPolarHBondContact ND2-CG1 3.17Å; N884-I1648 WeakPolarHBondContact ND2-CG2 3.43Å; N884-I1648 WeakPolarHBondContact OD1-CD1 3.36Å; N884-R1665 PolarHBondContact ND2-NH1 2.94Å
885	I	25.7	Very low	26.6	Very low	79 Å²	79	132 Å²	132	41%	0.405	70%	0.704	S	S	.	*				55.1	131.6	102.4	-53.2	170	0	0	0	109.8	I1648	I885-I1648 HydrophobicContact CD1-CD1 4.25Å
886	C	24.2	Very low	26.2	Very low	93 Å²	93	130.8 Å²	130.8	63%	0.628	70%	0.702	S	S	*	*			cis	-90.3	-153.3	29.6	-70.1	0	0	0	0	115.8	R561	R561-C886 PolarHBondContact NH1-O 2.88Å
887	Y	25.8	Very low	25.7	Very low	222 Å²	222	132.3 Å²	132.3	87%	0.871	70%	0.704	S	S	*	*			cis	66.2	159.5	13.3	-68.5	-100.9	0	0	0	115.9
888	A	26.5	Very low	25.7	Very low	81 Å²	81	131.1 Å²	131.1	67%	0.669	70%	0.704	S	S	*	*			cis	-123.5	-174.3	-3.5	0	0	0	0	0	111.3
889	S	26.5	Very low	25.7	Very low	107 Å²	107	126.6 Å²	126.6	75%	0.748	70%	0.697	S	S	*	*				46.4	137.9	87.1	-50.1	0	0	0	0	115.2
890	N	25.5	Very low	25.8	Very low	151 Å²	151	123.2 Å²	123.2	81%	0.807	69%	0.693	S	S	*	*			cis	-144	-166.4	14.8	-120.7	2.3	0	0	0	115.2
891	T	27.6	Very low	25.9	Very low	95 Å²	95	121.1 Å²	121.1	58%	0.583	69%	0.689	S	S	*	*			trans	-75.7	178.2	-179.5	45.7	0	0	0	0	113.7
892	Y	27.2	Very low	25.8	Very low	208 Å²	208	121.4 Å²	121.4	82%	0.816	70%	0.696	S	S	*	*			cis	-124	-137.6	10	-64.3	-100.8	0	0	0	110
893	T	26.3	Very low	26.1	Very low	128 Å²	128	123 Å²	123	79%	0.785	71%	0.705	S	S	*	*			cis	-160.1	148.7	-4.9	-21	0	0	0	0	109.3
894	T	23.7	Very low	26.3	Very low	126 Å²	126	124.2 Å²	124.2	77%	0.773	71%	0.708	S	S	*	*			trans	-168.1	124.4	151.2	43.1	0	0	0	0	111.1
895	N	24.8	Very low	26.5	Very low	150 Å²	150	126.1 Å²	126.1	80%	0.802	72%	0.718	S	S	*	*			trans	54.6	130.5	159.1	-51.2	12.2	0	0	0	117.4
896	I	25.4	Very low	26.6	Very low	149 Å²	149	126.5 Å²	126.5	76%	0.764	73%	0.728	S	S	*	*				-164.2	138.2	74.4	-90.5	172.2	0	0	0	110.7
897	N	25.1	Very low	26.7	Very low	133 Å²	133	128.5 Å²	128.5	71%	0.711	73%	0.732	S	S	*	*			trans	53.9	136.6	156.5	-60.3	5.5	0	0	0	123.7
898	T	25.8	Very low	26.8	Very low	135 Å²	135	126.1 Å²	126.1	83%	0.828	73%	0.729	S	S	*	*			trans	62.5	136.9	141.4	47.4	0	0	0	0	120.3
899	A	26.8	Very low	26.8	Very low	81 Å²	81	126.6 Å²	126.6	67%	0.669	73%	0.733	S	S	*	*			cis	-157.2	173.7	-3.5	0	0	0	0	0	111.4
900	V	27.3	Very low	26.8	Very low	134 Å²	134	126 Å²	126	81%	0.812	73%	0.729	S	S	*	*			trans	33.1	120.7	132.7	171.4	0	0	0	0	116.2
901	S	27.2	Very low	26.8	Very low	95 Å²	95	125.5 Å²	125.5	66%	0.664	73%	0.726	S	S	*	*			cis	178.8	179.1	14.8	46.7	0	0	0	0	113.9
902	V	28.5	Very low	26.8	Very low	125 Å²	125	126.8 Å²	126.8	76%	0.758	73%	0.734	S	S	*	*			trans	84.4	111.7	136.6	146.5	0	0	0	0	118.9
903	V	29	Very low	26.9	Very low	114 Å²	114	124 Å²	124	69%	0.691	73%	0.734	S	S	*	*				88.8	100.8	128.7	169.3	0	0	0	0	120.4
904	N	28.2	Very low	27.6	Very low	121 Å²	121	123 Å²	123	65%	0.647	73%	0.729	S	S	*	*				87.1	125.2	121.6	-71.1	42.7	0	0	0	122.9
905	D	28.9	Very low	27.6	Very low	121 Å²	121	122.8 Å²	122.8	65%	0.647	73%	0.727	S	S	*	*				80.3	104.6	120.8	-58.8	-4.4	0	0	0	121.6
906	S	28.5	Very low	27.5	Very low	88 Å²	88	126.4 Å²	126.4	62%	0.615	73%	0.731	S	S	*	*				75.7	122.6	109.8	-60.1	0	0	0	0	120
907	N	26	Very low	28.1	Very low	134 Å²	134	128.2 Å²	128.2	72%	0.717	73%	0.734	S	S	*	*			trans	70.5	144.5	137.4	-62.4	-22.2	0	0	0	117.2
908	Q	27	Very low	29	Very low	173 Å²	173	127.6 Å²	127.6	81%	0.808	74%	0.737	S	S	*	*			cis	-150.9	-166	-3.8	-126.9	162.8	28.9	0	0	110.7
909	A	27.1	Very low	29.2	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	73%	0.733	S	S	*	*			trans	-59.4	169.3	166.9	0	0	0	0	0	111.1
910	S	26.4	Very low	29.8	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	74%	0.743	S	S	*	*			cis	-166.6	162.9	26.6	55.6	0	0	0	0	113.3
911	N	26.7	Very low	30	Very low	141 Å²	141	132.6 Å²	132.6	75%	0.754	74%	0.738	S	S	*	*			trans	60.7	148.4	141.6	-69.1	-1.2	0	0	0	123.9
912	T	27.2	Very low	29.9	Very low	122 Å²	122	133 Å²	133	75%	0.748	74%	0.74	S	S	*	*			trans	58.5	99.3	150	46.3	0	0	0	0	120.1
913	N	30	Very low	29.8	Very low	151 Å²	151	133.2 Å²	133.2	81%	0.807	73%	0.733	S	S	*	*				28.7	148.6	111.2	-71.8	2.6	0	0	0	120.1
914	P	39	Very low	29.7	Very low	107 Å²	107	137.9 Å²	137.9	70%	0.695	74%	0.738	S	S	*	*			cis	-138.3	-150.3	-28.1	34.1	-11.4	0	0	0	111.1
915	V	24.6	Very low	29.7	Very low	120 Å²	120	136.8 Å²	136.8	73%	0.727	75%	0.746	S	S	*	*			trans	78.3	123.7	154.1	165	0	0	0	0	119.2
916	Y	23.8	Very low	29.8	Very low	227 Å²	227	134.2 Å²	134.2	89%	0.89	75%	0.748	S	S	*	*			trans	70.1	124.7	155.7	-86.2	-130.7	0	0	0	122.7
917	K	37.9	Very low	29.8	Very low	187 Å²	187	137 Å²	137	81%	0.813	76%	0.755	S	S	*	*			trans	-73.5	-179	149.5	-55.4	169.2	170.6	172.3	0	109.5
918	P	42.3	Very low	30	Very low	119 Å²	119	137.2 Å²	137.2	77%	0.773	76%	0.756	S	S	*	*			cis	-120.7	-147	-13.1	38.1	-17.3	0	0	0	108.4
919	P	30.4	Very low	30.2	Very low	116 Å²	116	134 Å²	134	75%	0.753	75%	0.748	S	S	*	*			cis	-131.8	-176	-12	39.7	-20.1	0	0	0	116.1
920	R	39	Very low	30.5	Very low	232 Å²	232	136.5 Å²	136.5	88%	0.875	74%	0.744	S	S	*	*			trans	-61	161.6	154.6	-78.9	-176.6	-178.1	-167.6	0.8	110.1
921	P	32.4	Very low	30.8	Very low	108 Å²	108	140.1 Å²	140.1	70%	0.701	75%	0.748	S	S	*	*			cis	-149.6	-165.9	42.4	38.6	-15.4	0	0	0	116.6
922	S	25.2	Very low	31.1	Very low	103 Å²	103	138 Å²	138	72%	0.72	74%	0.744	S	S	*	*			trans	66.5	161.9	156.8	37.4	0	0	0	0	116.4
923	E	25.7	Very low	31.1	Very low	129 Å²	129	138 Å²	138	60%	0.603	75%	0.748	S	S	*	*			cis	-156.3	158.3	-4.2	-131	-178	-170.7	0	0	110.2
924	R	27.9	Very low	31.1	Very low	213 Å²	213	135.2 Å²	135.2	80%	0.804	74%	0.74	S	S	*	*			trans	59.4	165	151.6	-75.5	167.3	176.3	142.5	-4.4	116.6
925	A	28.3	Very low	30.6	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	74%	0.743	S	S	*	*			cis	-151.5	165.9	-26.6	0	0	0	0	0	109.3
926	G	30.8	Very low	30.7	Very low	68 Å²	68	138.9 Å²	138.9	70%	0.701	74%	0.738	S	S	*	*			trans	99.7	133.2	159.4	0	0	0	0	0	116.4
927	L	29.2	Very low	30.9	Very low	147 Å²	147	134.1 Å²	134.1	77%	0.77	72%	0.722	S	S	*	*			cis	-173.1	152.5	-29.9	-116.6	157.7	0	0	0	107
928	N	29.3	Very low	30.4	Very low	138 Å²	138	132.4 Å²	132.4	74%	0.738	72%	0.717	S	S	*	*			trans	70.1	144.1	160.1	-63	-26.4	0	0	0	118.3
929	V	30.8	Very low	29.7	Very low	104 Å²	104	132.5 Å²	132.5	63%	0.63	72%	0.715	S	S	*	*			cis	-149.8	135.9	1	103.1	0	0	0	0	113.3
930	H	33.3	Very low	29.6	Very low	145 Å²	145	131.2 Å²	131.2	67%	0.671	71%	0.709	S	S	*	*			trans	57.6	154.9	154.8	-68.7	178.7	0	0	0	121.2
931	K	33.1	Very low	29	Very low	168 Å²	168	127.2 Å²	127.2	73%	0.73	71%	0.705	S	S	*	*			cis	-168.4	160.4	-23	-107.9	176	-178.3	170.9	0	105.4
932	S	33.3	Very low	28.8	Very low	97 Å²	97	129 Å²	129	68%	0.678	71%	0.707	S	S	*	*			cis	-165.8	145.4	2.7	37	0	0	0	0	112
933	C	27.2	Very low	28.9	Very low	121 Å²	121	131.2 Å²	131.2	82%	0.818	71%	0.709	S	S	*	*			trans	69	148.7	149.7	-62.4	0	0	0	0	122.4
934	S	30.2	Very low	29	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	72%	0.716	S	S	*	*			cis	179	170.5	-36.4	-102.7	0	0	0	0	111.8
935	F	27.1	Very low	29	Very low	170 Å²	170	126.7 Å²	126.7	75%	0.746	71%	0.707	S	S	*	*			trans	72.8	112.5	167.4	-66.6	-76.3	0	0	0	116.4
936	E	27.3	Very low	29	Very low	134 Å²	134	129 Å²	129	63%	0.626	71%	0.706	S	S	*	*				87.8	145.1	64.9	-77.4	-164	169.7	0	0	112.1
937	K	28.6	Very low	28.7	Very low	127 Å²	127	130.8 Å²	130.8	55%	0.552	71%	0.708	S	S	*	*			cis	-163.9	160.4	3.5	-122	171.3	-177.9	143.8	0	111.6
938	E	26.8	Very low	28.9	Very low	151 Å²	151	133.8 Å²	133.8	71%	0.706	72%	0.715	S	S	*	*			trans	52.9	154.9	141.9	-68.4	155.5	-161	0	0	120.6
939	T	28	Very low	28.9	Very low	122 Å²	122	132.2 Å²	132.2	75%	0.748	71%	0.713	S	S	*	*			cis	-159.6	163.9	-1.4	5.1	0	0	0	0	113.5
940	S	27.7	Very low	28.5	Very low	88 Å²	88	134.7 Å²	134.7	62%	0.615	72%	0.72	S	S	*	*			trans	59.1	104.2	144	65.7	0	0	0	0	125.5
941	D	26.7	Very low	28.1	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	73%	0.728	S	S	*	*				75.2	150.6	106.9	-54.9	-39.8	0	0	0	127.1
942	I	27.9	Very low	27.7	Very low	147 Å²	147	132 Å²	132	75%	0.754	73%	0.726	S	S	*	*			trans	76.1	116.5	161.9	-64.8	147.2	0	0	0	117.4
943	I	28.3	Very low	27.4	Very low	149 Å²	149	132.9 Å²	132.9	76%	0.764	73%	0.728	S	S	*	*			cis	86.3	122.4	39.3	-61.3	167.1	0	0	0	111.8
944	E	28	Very low	27.5	Very low	158 Å²	158	134.4 Å²	134.4	74%	0.738	72%	0.723	S	S	*	*			cis	-159.5	174	-1.7	-134.3	-70.7	-85.3	0	0	111.5
945	S	27.5	Very low	27.8	Very low	89 Å²	89	139.6 Å²	139.6	62%	0.622	74%	0.736	S	S	*	*			trans	118.1	109	137.7	77.8	0	0	0	0	119.9
946	N	27	Very low	27.8	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	73%	0.733	S	S	*	*			trans	51.6	93.8	144.6	-65.4	-55.2	0	0	0	121.2
947	S	25.4	Very low	28	Very low	106 Å²	106	142.9 Å²	142.9	74%	0.741	75%	0.749	S	S	*	*				176.4	103.7	112.9	43.8	0	0	0	0	115.3
948	F	32.2	Very low	28.1	Very low	209 Å²	209	140.6 Å²	140.6	92%	0.917	76%	0.762	S	S	*	*			trans	56.8	-171.4	-177.2	-61.6	-91.6	0	0	0	112.5
949	P	29.9	Very low	28.3	Very low	106 Å²	106	139.4 Å²	139.4	69%	0.688	77%	0.769	S	S	*	*			cis	-115.9	-133.5	-33.9	19.5	5	0	0	0	110.1
950	I	22.3	Very low	28.3	Very low	155 Å²	155	136.5 Å²	136.5	80%	0.795	76%	0.763	S	S	*	*			trans	85.2	165.4	152.8	-63.1	166.9	0	0	0	118.1
951	L	24.7	Very low	28.3	Very low	158 Å²	158	140.2 Å²	140.2	83%	0.827	78%	0.775	S	S	*	*			trans	-113.5	-173.9	-166.3	-108.6	73.8	0	0	0	111.7
952	S	24.4	Very low	28.5	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	78%	0.778	S	S	*	*			trans	90.4	117.9	161.5	87.2	0	0	0	0	115.5
953	T	27.7	Very low	28.5	Very low	116 Å²	116	139.9 Å²	139.9	71%	0.712	78%	0.783	S	S	*	*				79.7	143.5	95.7	57.3	0	0	0	0	113.7
954	Q	30.6	Very low	28.3	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	79%	0.787	S	S	*	*			cis	-158.5	152.8	-0.8	-124.9	173	31.9	0	0	109.1	L956	Q954-L956 HydrophobicContact CG-CD1 4.39Å
955	Q	34.7	Very low	28.3	Very low	201 Å²	201	138.3 Å²	138.3	94%	0.939	78%	0.781	S	S	*	*			trans	-158.1	145.4	140.1	-114.7	178.8	18.9	0	0	109.7
956	L	27	Very low	28.2	Very low	128 Å²	128	143.1 Å²	143.1	67%	0.67	79%	0.787	S	S	*	*			trans	-127	144.6	-163	-75.5	143.6	0	0	0	110.9	Q954	Q954-L956 HydrophobicContact CG-CD1 4.39Å
957	Y	32.6	Very low	28.3	Very low	245 Å²	245	144 Å²	144	96%	0.961	79%	0.787	S	S	*	*			trans	-152.1	146.9	135.4	-96.3	-71.8	0	0	0	107.8
958	G	31.6	Very low	28.8	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	79%	0.793	S	S	*	*			trans	-172.6	-164.4	-176.2	0	0	0	0	0	114.6
959	C	30.3	Very low	28.5	Very low	126 Å²	126	142 Å²	142	85%	0.851	79%	0.792	S	S	*	*			trans	-148.4	125.8	158.7	-171.2	0	0	0	0	103.5
960	G	28.1	Very low	28.6	Very low	60 Å²	60	145.9 Å²	145.9	62%	0.619	80%	0.801	S	S	*	*				94.9	115	50.1	0	0	0	0	0	106.3
961	L	27.5	Very low	28.8	Very low	167 Å²	167	143.6 Å²	143.6	87%	0.874	80%	0.799	S	S	*	*			cis	-144.1	174.3	24	-76.7	152.5	0	0	0	112.2
962	C	30.5	Very low	28.9	Very low	127 Å²	127	143.7 Å²	143.7	86%	0.858	80%	0.799	S	S	*	*			trans	73	119.4	165.8	-57.4	0	0	0	0	118.1
963	N	27.4	Very low	28.9	Very low	161 Å²	161	145.2 Å²	145.2	86%	0.861	80%	0.799	S	S	*	*			trans	-115.8	-174.4	176.4	-97.5	-26	0	0	0	110.4
964	M	25.5	Very low	28.9	Very low	170 Å²	170	147.1 Å²	147.1	84%	0.837	80%	0.8	S	S	*	*			trans	92.6	151	158.6	-62.3	-173.9	68.6	0	0	119.3
965	V	26.8	Very low	28.6	Very low	103 Å²	103	146.9 Å²	146.9	62%	0.624	80%	0.798	S	S	*	*			cis	-174.6	128.1	-44.7	122.9	0	0	0	0	108.9
966	Y	26.6	Very low	28.1	Very low	190 Å²	190	143.1 Å²	143.1	75%	0.745	79%	0.785	S	S	*	*			trans	59.2	172.8	161.9	-76	-116.7	0	0	0	116.3
967	E	29.1	Very low	27.9	Very low	164 Å²	164	148 Å²	148	77%	0.766	80%	0.795	S	S	*	*			cis	-137.1	-159	-41.6	-137.7	166.8	-157.9	0	0	109.9
968	D	35.5	Very low	27.7	Very low	164 Å²	164	144.6 Å²	144.6	88%	0.877	79%	0.791	S	S	*	*			trans	-71.6	143.2	-168.4	-71.1	-40.9	0	0	0	116.7
969	A	26.2	Very low	27.3	Very low	108 Å²	108	145 Å²	145	89%	0.893	78%	0.781	S	S	*	*			trans	-160.1	151.3	154.1	0	0	0	0	0	112.5
970	E	30.9	Very low	27.3	Very low	188 Å²	188	146.5 Å²	146.5	88%	0.879	78%	0.775	S	S	*	*			trans	-131.8	140.9	176.9	-175.8	170	-142.3	0	0	111.3
971	S	28.3	Very low	27.1	Very low	108 Å²	108	150.3 Å²	150.3	76%	0.755	78%	0.781	S	S	*	*			trans	69.7	123.1	170.3	74.4	0	0	0	0	120.2
972	L	24.9	Very low	27.1	Very low	159 Å²	159	149.7 Å²	149.7	83%	0.832	78%	0.779	S	S	*	*			trans	171.9	97.8	140.2	-93.2	170	0	0	0	105.9
973	L	26.3	Very low	27.1	Very low	132 Å²	132	150.3 Å²	150.3	69%	0.691	78%	0.779	S	S	*	*				69.3	117.8	84.7	-87.6	167.7	0	0	0	115.6
974	Q	25.8	Very low	27	Very low	156 Å²	156	147.6 Å²	147.6	73%	0.729	77%	0.772	S	S	*	*			trans	64.9	149.1	160.2	-68.1	148	-37.8	0	0	116.1
975	H	24.5	Very low	27.3	Very low	147 Å²	147	149.9 Å²	149.9	68%	0.681	78%	0.777	S	S	*	*			cis	-137.9	161.7	15.5	-108.5	-70.5	0	0	0	113.3
976	N	24.4	Very low	27.3	Very low	122 Å²	122	149.7 Å²	149.7	65%	0.652	78%	0.781	S	S	*	*			trans	47.1	116.1	145.5	-56.5	-8.9	0	0	0	119.5
977	R	23.4	Very low	27.4	Very low	232 Å²	232	151 Å²	151	88%	0.875	79%	0.791	S	S	*	*				55.2	112.9	80.2	-68.4	-174.9	178.2	-171.3	1.6	114.5
978	I	27.7	Very low	27.3	Very low	172 Å²	172	148.5 Å²	148.5	88%	0.882	79%	0.791	S	S	*	*				-162.1	158.3	125.2	-97.1	151.7	0	0	0	108.6
979	S	23.6	Very low	26.9	Very low	89 Å²	89	147 Å²	147	62%	0.622	79%	0.792	S	S	*	*			trans	-109.6	-157.1	-167.4	47.5	0	0	0	0	113.9
980	H	29.5	Very low	27.1	Very low	158 Å²	158	146.8 Å²	146.8	73%	0.731	78%	0.784	S	S	*	*			trans	82.6	117.5	176.9	-46.9	-79.5	0	0	0	114.4
981	N	25.7	Very low	27.1	Very low	139 Å²	139	143.8 Å²	143.8	74%	0.743	78%	0.784	S	S	*	*			cis	79.7	133.4	39.2	-70.5	-12.1	0	0	0	115.4
982	N	26.4	Very low	27	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	79%	0.786	S	S	*	*			trans	70.2	153.8	174.9	-45.9	-27.2	0	0	0	113.4
983	V	31.1	Very low	27.5	Very low	140 Å²	140	142.4 Å²	142.4	85%	0.848	78%	0.784	S	S	*	*			cis	-132.5	156	6.1	175.8	0	0	0	0	109.8
984	S	25.3	Very low	27.8	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	79%	0.793	S	S	*	*			trans	-100.9	137.4	172	57.6	0	0	0	0	113.7
985	K	31.1	Very low	28	Very low	218 Å²	218	143.7 Å²	143.7	95%	0.948	79%	0.785	S	S	*	*			trans	-165.1	170	149.9	-110.1	157.2	-172	177.6	0	112.3
986	S	27.5	Very low	28.1	Very low	99 Å²	99	145.5 Å²	145.5	69%	0.692	79%	0.791	S	S	*	*			trans	-123	150.7	-160.5	55	0	0	0	0	113.9
987	F	27.7	Very low	28.3	Very low	218 Å²	218	145.9 Å²	145.9	96%	0.956	80%	0.798	S	S	*	*			trans	-150	166.8	146.4	-102.4	-71.5	0	0	0	111.2
988	S	28.4	Very low	28.9	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	79%	0.791	S	S	*	*			trans	-141.8	151.8	-165.9	58.7	0	0	0	0	112.9
989	C	27.2	Very low	29.2	Very low	132 Å²	132	138.3 Å²	138.3	89%	0.892	78%	0.782	S	S	*	*			trans	-132.9	159.8	169.8	-162.4	0	0	0	0	112.3
990	S	29.5	Very low	29.6	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	79%	0.788	S	S	*	*			trans	-105.2	117.4	-158.1	49	0	0	0	0	114.6
991	S	31.4	Very low	29.7	Very low	124 Å²	124	140 Å²	140	87%	0.867	79%	0.794	S	S	*	*			trans	-168.4	12.4	160.1	-87.6	0	0	0	0	115.4
992	C	26.6	Very low	29.8	Very low	119 Å²	119	140.8 Å²	140.8	80%	0.804	80%	0.797	S	S	*	*			trans	-130	104.1	-166.4	-162.4	0	0	0	0	114.7	R994	C992-R994 PolarHBondContact O-N 3.03Å; C992-R994 VanDerWaalsContact O-N 3.11Å
993	P	35	Very low	30.1	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	80%	0.795	S	S	*	*			trans	-79.2	92.9	175.3	30.5	-32.4	0	0	0	112.3
994	R	32.1	Very low	30.1	Very low	233 Å²	233	138.2 Å²	138.2	88%	0.879	79%	0.785	S	S	*	*			trans	30.1	145.5	133.8	-68.3	-179.4	177.4	-179.5	-1	119.4	C992	C992-R994 PolarHBondContact O-N 3.03Å; C992-R994 VanDerWaalsContact O-N 3.11Å
995	S	29.5	Very low	30.2	Very low	81 Å²	81	141.2 Å²	141.2	57%	0.566	79%	0.787	S	S	*	*			cis	174.6	170.1	-1.9	53.9	0	0	0	0	107.1
996	F	27.1	Very low	30.1	Very low	186 Å²	186	134.9 Å²	134.9	82%	0.816	77%	0.77	S	S	*	*			cis	-132.5	-170.5	-5.7	-63.1	-90.7	0	0	0	106.9
997	T	29.5	Very low	30.2	Very low	129 Å²	129	141 Å²	141	79%	0.791	78%	0.778	S	S	*	*			cis	-152.9	179.2	3.3	-22.3	0	0	0	0	108.4
998	N	35.4	Very low	30.1	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	77%	0.765	S	S	*	*			trans	-139.2	-154.8	164.5	-143.5	-1.4	0	0	0	108.3
999	P	34.2	Very low	30.1	Very low	107 Å²	107	139.2 Å²	139.2	70%	0.695	76%	0.763	S	S	*	*			cis	-127.3	-173.6	14.3	45	-25.9	0	0	0	113.4
1000	T	31.1	Very low	30.2	Very low	122 Å²	122	139.6 Å²	139.6	75%	0.748	76%	0.756	S	S	*	*			cis	-149	143.1	10.4	-34.9	0	0	0	0	112.1
1001	L	31.4	Very low	30.7	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	75%	0.753	S	S	*	*			trans	-167.1	124	156.9	-110.9	179.5	0	0	0	108.9
1002	L	29.1	Very low	30.6	Very low	155 Å²	155	141.5 Å²	141.5	81%	0.812	75%	0.749	S	S	*	*			trans	-161.7	165.8	170.8	-86.6	-179	0	0	0	107.2
1003	L	32.9	Very low	30.9	Very low	152 Å²	152	146.1 Å²	146.1	80%	0.796	75%	0.751	S	S	*	*			cis	-137.3	-165.2	21.1	-155.6	73.9	0	0	0	111.8
1004	S	30.3	Very low	30.5	Very low	90 Å²	90	147.9 Å²	147.9	63%	0.629	75%	0.754	S	S	*	*			trans	-166.1	176.5	-170.2	51.8	0	0	0	0	112.6
1005	H	28.1	Very low	30.3	Very low	165 Å²	165	139.7 Å²	139.7	76%	0.764	74%	0.742	S	S	*	*			trans	117.4	96.6	155.2	-95	-88.7	0	0	0	122.4
1006	S	28.3	Very low	30.2	Very low	86 Å²	86	143.7 Å²	143.7	60%	0.601	76%	0.755	S	S	*	*				65.2	147.8	119.5	68.2	0	0	0	0	125.7
1007	R	29.4	Very low	30.2	Very low	227 Å²	227	142.8 Å²	142.8	86%	0.857	76%	0.758	S	S	*	*			trans	94.2	148.1	161.5	-57.2	-174.9	-169.2	-152.9	5.7	116.6
1008	I	25.3	Very low	30.2	Very low	131 Å²	131	144.1 Å²	144.1	67%	0.672	76%	0.76	S	S	*	*			cis	-164.3	161.5	-18.4	-111.3	167.4	0	0	0	110.1
1009	H	28.9	Very low	29.8	Very low	162 Å²	162	143.1 Å²	143.1	75%	0.75	76%	0.763	S	S	*	*			trans	72.5	113.1	162.1	-82	-48.6	0	0	0	124.8
1010	N	29.6	Very low	29.7	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	76%	0.761	S	S	*	*				78.8	147.4	127.7	-79.6	43.9	0	0	0	125.6
1011	P	40.7	Very low	29.4	Very low	103 Å²	103	144.5 Å²	144.5	67%	0.669	77%	0.765	S	S	*	*			trans	-113.7	178.7	179.8	44.6	-34.1	0	0	0	114
1012	E	27.5	Very low	29.1	Very low	166 Å²	166	142 Å²	142	78%	0.776	76%	0.759	S	S	*	*			trans	177.4	171	131.1	-101.1	169	-152.2	0	0	112.8
1013	Y	33.2	Very low	29.3	Very low	216 Å²	216	139.6 Å²	139.6	85%	0.847	75%	0.753	S	S	*	*			trans	79.8	140.6	171.2	-81.8	-84.2	0	0	0	122.3
1014	D	26.8	Very low	28.9	Very low	156 Å²	156	140.2 Å²	140.2	83%	0.834	75%	0.754	S	S	*	*			trans	-103.2	165.8	-171.2	-60.2	-84.7	0	0	0	114
1015	G	28.9	Very low	28.7	Very low	61 Å²	61	140.6 Å²	140.6	63%	0.629	76%	0.756	S	S	*	*				120.9	117	116.1	0	0	0	0	0	120.5
1016	I	26.3	Very low	28.5	Very low	166 Å²	166	138.5 Å²	138.5	85%	0.851	75%	0.749	S	S	*	*			trans	81.5	149.9	131.5	-60.2	162	0	0	0	118.5
1017	L	28.3	Very low	28.6	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	76%	0.76	S	S	*	*			trans	84.8	121.1	169.6	-81.4	150.8	0	0	0	119.9
1018	N	28.5	Very low	28.5	Very low	158 Å²	158	137.3 Å²	137.3	85%	0.845	75%	0.749	S	S	*	*			trans	-85.6	157.8	165.9	-62.2	-77	0	0	0	110.7
1019	C	28	Very low	28.6	Very low	117 Å²	117	139.6 Å²	139.6	79%	0.791	75%	0.754	S	S	*	*			trans	-143.9	128.6	149.3	-159.1	0	0	0	0	111.1
1020	P	30.7	Very low	28.4	Very low	102 Å²	102	140 Å²	140	66%	0.662	76%	0.756	S	S	*	*			trans	-82.7	-173.7	167.2	36.2	-34.6	0	0	0	111.3
1021	L	25.5	Very low	28.3	Very low	156 Å²	156	139.4 Å²	139.4	82%	0.817	76%	0.763	S	S	*	*			trans	75.1	147.8	-175.9	-44.2	165.2	0	0	0	112.3
1022	C	25.4	Very low	28	Very low	108 Å²	108	139.1 Å²	139.1	73%	0.73	77%	0.769	S	S	*	*			cis	-152.9	175.8	-11.3	-117.2	0	0	0	0	110.3
1023	P	32.7	Very low	27.9	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	78%	0.775	S	S	*	*			trans	-104.7	-170.3	-161.1	40.7	-37.5	0	0	0	116.9
1024	M	24.9	Very low	27.4	Very low	166 Å²	166	133.8 Å²	133.8	82%	0.818	77%	0.767	S	S	*	*			trans	80.6	152.9	176.7	-48.7	-67.8	-94.8	0	0	114.1
1025	S	25.6	Very low	27.3	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	77%	0.766	S	S	*	*			cis	-152.3	141.6	18.5	61.1	0	0	0	0	111.7
1026	I	24.8	Very low	27	Very low	122 Å²	122	141.1 Å²	141.1	63%	0.626	77%	0.771	S	S	*	*				83.3	157.5	102	-59.9	172.8	0	0	0	114.8
1027	F	30.3	Very low	26.9	Very low	185 Å²	185	139.5 Å²	139.5	81%	0.811	76%	0.762	S	S	*	*			trans	68.4	92.3	-172.8	-63.2	-74.5	0	0	0	116.5
1028	T	27.2	Very low	26.8	Very low	103 Å²	103	138 Å²	138	63%	0.632	75%	0.753	S	S	*	*			cis	105.9	141.4	23.2	72.7	0	0	0	0	114.6
1029	K	26.5	Very low	26.6	Very low	178 Å²	178	140.6 Å²	140.6	77%	0.774	75%	0.753	S	S	*	*			trans	102.2	121.9	154.8	-68.1	176	-179	176.3	0	119.8
1030	Q	25.9	Very low	26.4	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.804	75%	0.745	S	S	*	*			trans	85.9	129.7	143.7	-70.3	159.8	-41.7	0	0	121
1031	S	27.2	Very low	26.4	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	75%	0.75	S	S	*	*			trans	66.5	139.3	-177.7	79.5	0	0	0	0	116.2
1032	A	33.5	Very low	26.6	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	75%	0.749	S	S	*	*			cis	-139.8	140.5	-3.8	0	0	0	0	0	111.7
1033	L	26	Very low	27.3	Very low	174 Å²	174	141.4 Å²	141.4	91%	0.911	74%	0.744	S	S	*	*			trans	-128.6	93.6	176.6	-168.8	164.3	0	0	0	109.4
1034	S	23.3	Very low	27.1	Very low	97 Å²	97	142 Å²	142	68%	0.678	75%	0.748	S	S	*	*			trans	-160.8	154.5	173.2	66.1	0	0	0	0	108.2
1035	R	23.7	Very low	27.4	Very low	213 Å²	213	141 Å²	141	80%	0.804	75%	0.746	S	S	*	*			cis	65.9	146.1	35.4	-69.6	-171.6	177.4	164.8	-1	114.2
1036	H	23.4	Very low	27.5	Very low	158 Å²	158	141.1 Å²	141.1	73%	0.731	75%	0.746	S	S	*	*			trans	66.4	148.2	176.6	-53.1	120.5	0	0	0	115.3
1037	I	23.4	Very low	27.6	Very low	132 Å²	132	143.7 Å²	143.7	68%	0.677	76%	0.755	S	S	*	*			cis	81.1	97.7	25.9	-56	175.9	0	0	0	113
1038	I	26.6	Very low	27.7	Very low	133 Å²	133	140 Å²	140	68%	0.682	75%	0.75	S	S	*	*			trans	67.2	151.1	165	-53.7	167.6	0	0	0	110.4
1039	Y	24.1	Very low	27.7	Very low	213 Å²	213	144.8 Å²	144.8	84%	0.835	76%	0.762	S	S	*	*			cis	-132.4	162	36.3	-76.6	-98.7	0	0	0	109.7
1040	C	24.2	Very low	27.8	Very low	93 Å²	93	143.6 Å²	143.6	63%	0.628	76%	0.761	S	S	*	*			cis	80	95.7	41.8	-65.6	0	0	0	0	115.5
1041	H	29.4	Very low	28.2	Very low	165 Å²	165	139.7 Å²	139.7	76%	0.764	75%	0.752	S	S	*	*			trans	72.4	162.5	149.1	-75.2	-76.1	0	0	0	119.2
1042	P	29.7	Very low	28.3	Very low	124 Å²	124	136.9 Å²	136.9	81%	0.805	73%	0.732	S	S	*	*			cis	-117.6	173.2	12	41.1	-29.1	0	0	0	118.4
1043	L	40.1	Very low	28.2	Very low	119 Å²	119	137.7 Å²	137.7	62%	0.623	72%	0.723	S	S	*	*			trans	-105.2	163.4	161.8	-73.4	166.4	0	0	0	108	L1045	L1043-L1045 HydrophobicContact CB-CG 4.49Å
1044	P	30	Very low	28.5	Very low	116 Å²	116	135 Å²	135	75%	0.753	72%	0.718	S	S	*	*				-124.8	158.3	92.5	-5.7	28.4	0	0	0	112.6
1045	L	31.1	Very low	28.8	Very low	146 Å²	146	133.6 Å²	133.6	76%	0.764	72%	0.718	S	S	*	*			cis	67.2	116.9	34.2	-58.5	172.9	0	0	0	112	L1043	L1043-L1045 HydrophobicContact CB-CG 4.49Å
1046	S	27.3	Very low	29.1	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	72%	0.724	S	S	*	*				-158.9	-177.7	52.8	53.6	0	0	0	0	110.4
1047	E	27	Very low	29.2	Very low	176 Å²	176	136 Å²	136	82%	0.822	73%	0.731	S	S	*	*			cis	-152.5	168.7	-5.1	-132.4	170.2	-142.7	0	0	110.4
1048	P	33.1	Very low	29.2	Very low	107 Å²	107	138.1 Å²	138.1	70%	0.695	74%	0.736	S	S	*	*			trans	-123.6	161.7	-171.5	40.9	-27.6	0	0	0	116.6
1049	F	27.1	Very low	29.2	Very low	205 Å²	205	140.6 Å²	140.6	90%	0.899	75%	0.747	S	S	*	*			trans	-139.5	176.9	170.3	-105.9	-85.2	0	0	0	116.4
1050	M	27.9	Very low	29.4	Very low	152 Å²	152	138.5 Å²	138.5	75%	0.749	75%	0.747	S	S	*	*			trans	-115.9	169	-151.2	-68.1	-66.2	-177.5	0	0	114.3
1051	C	34	Very low	29.5	Very low	91 Å²	91	141.3 Å²	141.3	62%	0.615	76%	0.755	S	S	*	*			cis	-171.2	-122.9	-28.3	-172	0	0	0	0	109
1052	S	28.8	Very low	29.4	Very low	66 Å²	66	143.3 Å²	143.3	46%	0.462	76%	0.756	S	S	.	*			trans	75.3	156.7	170.6	74.7	0	0	0	0	120.2	T1571	S1052-T1571 VanDerWaalsContact OG-CB 3.28Å; S1052-T1571 WeakPolarHBondContact OG-CB 3.5Å; S1052-T1571 VanDerWaalsContact OG-CG2 3.23Å; S1052-T1571 WeakPolarHBondContact OG-CG2 3.22Å; S1052-T1571 PolarHBondContact OG-OG1 3.42Å
1053	N	31.5	Very low	29.2	Very low	113 Å²	113	143.5 Å²	143.5	60%	0.604	76%	0.76	S	S	*	*	S	Bend	trans	76.9	-1.2	179.8	-77	-9.4	0	0	0	121.2	T1571 T1572	N1053-T1571 PolarHBondContact ND2-O 2.61Å; N1053-T1571 PolarHBondContact ND2-OG1 3Å; N1053-T1571 VanDerWaalsContact ND2-OG1 3.17Å; N1053-T1572 HydrophobicContact CB-CG2 3.62Å
1054	C	32.9	Very low	28.5	Very low	118 Å²	118	143.1 Å²	143.1	80%	0.797	76%	0.758	S	S	*	*	S	Bend	trans	-163.5	137.5	142	52.6	0	0	0	0	111.2
1055	G	28.8	Very low	28.4	Very low	67 Å²	67	144 Å²	144	69%	0.691	75%	0.749	S	S	*	*			cis	149.7	78.7	-2.9	0	0	0	0	0	111
1056	M	30.1	Very low	28.1	Very low	185 Å²	185	141.7 Å²	141.7	91%	0.911	75%	0.746	S	S	*	*			trans	72.5	144	-167.1	-50.2	-160.2	-54.4	0	0	115.7
1057	R	26.2	Very low	28	Very low	236 Å²	236	145.2 Å²	145.2	89%	0.891	75%	0.751	S	S	*	*			cis	-155.7	157.1	-36.5	-155.9	165	176.2	137	-1.8	108
1058	F	23.3	Very low	28	Very low	178 Å²	178	141.8 Å²	141.8	78%	0.781	74%	0.742	S	S	*	*			trans	-66.9	150.3	169.7	-84.8	-120.8	0	0	0	111.3
1059	M	27.5	Very low	27.7	Very low	185 Å²	185	142.9 Å²	142.9	91%	0.911	74%	0.742	S	S	*	*				-160	103.7	113.3	-109.4	167.7	171.2	0	0	111.4
1060	M	26.8	Very low	27.7	Very low	168 Å²	168	139.2 Å²	139.2	83%	0.828	73%	0.732	S	S	*	*			trans	-90.1	162	142.6	-91.5	-177	160.8	0	0	107.6
1061	L	27.3	Very low	27.7	Very low	152 Å²	152	138.2 Å²	138.2	80%	0.796	73%	0.728	S	S	*	*	S	Bend	trans	72.6	138.4	167.5	-63.6	166	0	0	0	118.3
1062	R	27.2	Very low	27.5	Very low	208 Å²	208	140.4 Å²	140.4	79%	0.785	73%	0.733	S	S	*	*			trans	59.5	91.9	155.2	-70.6	179.8	173.3	166.4	-2	117.6	L1064	R1062-L1064 HydrophobicContact CB-CD2 4.35Å; R1062-L1064 HydrophobicContact CB-CG 4.22Å
1063	S	25.9	Very low	27.5	Very low	127 Å²	127	144 Å²	144	89%	0.888	75%	0.747	S	S	*	*				-116.1	130.3	114.2	-74.1	0	0	0	0	109.3
1064	L	24.6	Very low	27.3	Very low	112 Å²	112	141.7 Å²	141.7	59%	0.586	75%	0.75	S	S	*	*			cis	-167.9	167.2	-37.6	-113.4	160.9	0	0	0	107.6	R1062	R1062-L1064 HydrophobicContact CB-CD2 4.35Å; R1062-L1064 HydrophobicContact CB-CG 4.22Å
1065	K	27.7	Very low	27.2	Very low	133 Å²	133	142.1 Å²	142.1	58%	0.578	75%	0.749	S	S	*	*			trans	21.2	118.6	154.2	-70.2	160.1	170.3	166.9	0	118.5	D3	D3-K1065 IonicContact OD1-NZ 3.09Å; D3-K1065 PolarHBondContact OD1-NZ 3.44Å; D3-K1065 IonicContact OD2-NZ 2.88Å; D3-K1065 PolarHBondContact OD2-NZ 3.1Å
1066	S	24.6	Very low	27.1	Very low	99 Å²	99	145.5 Å²	145.5	69%	0.692	75%	0.751	S	S	*	*				-162.5	114.7	100.9	-167.9	0	0	0	0	111.2
1067	H	26.2	Very low	26.9	Very low	172 Å²	172	143.5 Å²	143.5	80%	0.796	74%	0.743	S	S	*	*			trans	57.7	166.1	161.6	-67	82.2	0	0	0	118.7
1068	V	27.3	Very low	26.8	Very low	104 Å²	104	137.5 Å²	137.5	63%	0.63	74%	0.735	S	S	*	*			cis	-159	164.4	-48.1	73.1	0	0	0	0	107.6
1069	N	26.7	Very low	27	Very low	129 Å²	129	134.7 Å²	134.7	69%	0.69	73%	0.733	S	S	*	*			trans	67.6	154.5	166.8	-70	-10.5	0	0	0	117
1070	N	25.8	Very low	26.9	Very low	128 Å²	128	130.3 Å²	130.3	68%	0.684	72%	0.72	S	S	*	*			cis	-168.7	179.8	-38.4	-122.6	-17	0	0	0	109.4
1071	I	27.9	Very low	26.9	Very low	132 Å²	132	131.1 Å²	131.1	68%	0.677	72%	0.719	S	S	*	*			trans	76	107.6	146.8	-78.6	157.6	0	0	0	118.9
1072	L	31.1	Very low	26.8	Very low	136 Å²	136	128.2 Å²	128.2	71%	0.712	71%	0.711	S	S	*	*				52.6	150	127.9	-42.3	-179.1	0	0	0	121.2
1073	N	27.5	Very low	26.7	Very low	142 Å²	142	123.8 Å²	123.8	76%	0.759	71%	0.707	S	S	*	*			cis	-170.9	141.3	-25.2	-106.2	-2	0	0	0	109.7
1074	G	28	Very low	26.7	Very low	65 Å²	65	124.2 Å²	124.2	67%	0.67	70%	0.699	S	S	*	*				83.9	154	128.9	0	0	0	0	0	123.1
1075	V	31.6	Very low	26.8	Very low	126 Å²	126	126 Å²	126	76%	0.764	70%	0.704	S	S	*	*			trans	77.4	75.9	144.2	-163.1	0	0	0	0	119.6
1076	D	25.2	Very low	26.9	Very low	139 Å²	139	127 Å²	127	74%	0.743	71%	0.711	S	S	*	*				60.2	162.1	102.3	-68.6	-61	0	0	0	124.7
1077	I	27.7	Very low	26.9	Very low	143 Å²	143	131.5 Å²	131.5	73%	0.733	72%	0.721	S	S	*	*			trans	88.1	91.1	144.4	-81.3	155.4	0	0	0	119.6
1078	C	24	Very low	27.2	Very low	109 Å²	109	131.7 Å²	131.7	74%	0.736	72%	0.722	S	S	*	*				94.2	144.7	107.8	-80.2	0	0	0	0	125.3
1079	V	27.1	Very low	27.3	Very low	120 Å²	120	131 Å²	131	73%	0.727	72%	0.723	S	S	*	*			trans	80.6	72.3	133.2	174.4	0	0	0	0	119.9
1080	S	24.4	Very low	27.3	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	73%	0.729	S	S	*	*				80	168.2	111.3	84.8	0	0	0	0	121.9
1081	K	27.8	Very low	27.4	Very low	186 Å²	186	131.5 Å²	131.5	81%	0.809	73%	0.73	S	S	*	*			trans	79.9	120	148.2	-87.1	-178.8	178.3	-179.6	0	119.7
1082	S	25.8	Very low	27.7	Very low	90 Å²	90	132.4 Å²	132.4	63%	0.629	74%	0.737	S	S	*	*				85.7	114.4	119.3	73.3	0	0	0	0	120
1083	T	24.2	Very low	27.5	Very low	115 Å²	115	133.1 Å²	133.1	71%	0.706	74%	0.738	S	S	*	*				77.8	125.7	121.4	56.3	0	0	0	0	120.8
1084	L	25.5	Very low	27.5	Very low	136 Å²	136	132.5 Å²	132.5	71%	0.712	73%	0.733	S	S	*	*			trans	83.9	147.9	131.9	-97.3	62	0	0	0	120.1
1085	E	26.2	Very low	27.4	Very low	149 Å²	149	135.8 Å²	135.8	70%	0.696	74%	0.735	S	S	*	*			trans	83	144.1	140.7	-79.1	165.1	158.8	0	0	122.9
1086	Q	31.4	Very low	27.3	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	73%	0.733	S	S	*	*			trans	63.4	93.7	156.2	-69.7	147.7	30.4	0	0	117.5
1087	Q	24.4	Very low	27.6	Very low	192 Å²	192	135.5 Å²	135.5	90%	0.897	73%	0.726	S	S	*	*			trans	-50.7	137.9	135.8	-48.6	163.3	-94.9	0	0	108.5
1088	E	31	Very low	27.5	Very low	176 Å²	176	135.6 Å²	135.6	82%	0.822	73%	0.727	S	S	*	*			trans	-156.6	159.7	149.2	-129.4	169.2	-138.4	0	0	114.6
1089	S	30.8	Very low	27.8	Very low	91 Å²	91	139 Å²	139	64%	0.636	72%	0.724	S	S	*	*			trans	32.8	100	166.3	58.2	0	0	0	0	119.7	N1091	S1089-N1091 PolarHBondContact O-N 3.15Å
1090	T	25.8	Very low	27.8	Very low	135 Å²	135	139.9 Å²	139.9	83%	0.828	73%	0.725	S	S	*	*			trans	-46.6	130.4	133.5	46.8	0	0	0	0	111.5
1091	N	27.5	Very low	28	Very low	131 Å²	131	139.5 Å²	139.5	70%	0.701	74%	0.736	S	S	*	*			trans	-166.3	169	152.5	-99.7	-32.4	0	0	0	111.2	S1089	S1089-N1091 PolarHBondContact O-N 3.15Å
1092	N	34.4	Very low	28.2	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	73%	0.732	S	S	*	*			trans	55.2	76.6	178.3	-51.8	-15.4	0	0	0	113.6
1093	M	26.6	Very low	28.2	Very low	151 Å²	151	140.9 Å²	140.9	74%	0.744	74%	0.736	S	S	*	*			cis	60.6	106.9	34	-125.4	-173	175.5	0	0	113.5
1094	I	27.5	Very low	28.4	Very low	129 Å²	129	141 Å²	141	66%	0.662	74%	0.737	S	S	*	*			trans	45.8	114.7	143	-47.2	163.1	0	0	0	117.8
1095	N	27.8	Very low	28.5	Very low	133 Å²	133	138.5 Å²	138.5	71%	0.711	73%	0.731	S	S	*	*				175.4	152.9	116.3	-99	-55.7	0	0	0	116.6
1096	N	28.6	Very low	28.9	Very low	134 Å²	134	141 Å²	141	72%	0.717	74%	0.74	S	S	*	*			trans	74.9	155.3	145.3	-68.3	-19	0	0	0	123.8
1097	E	31.4	Very low	28.6	Very low	126 Å²	126	140.3 Å²	140.3	59%	0.589	74%	0.74	S	S	*	*			trans	60.7	89.1	167.2	-54.4	-103.7	124.7	0	0	115.8	R1099	E1097-R1099 VanDerWaalsContact CD-NE 3.31Å; E1097-R1099 VanDerWaalsContact CD-NH2 3.3Å; E1097-R1099 IonicContact OE1-CZ 3.87Å; E1097-R1099 VanDerWaalsContact OE1-CZ 3.22Å; E1097-R1099 IonicContact OE1-NE 2.75Å; E1097-R1099 PolarHBondContact OE1-NE 2.86Å; E1097-R1099 VanDerWaalsContact OE1-NE 3.09Å; E1097-R1099 IonicContact OE1-NH2 3.51Å; E1097-R1099 PolarHBondContact OE1-NH2 3.09Å; E1097-R1099 WeakPolarHBondContact OE2-CD 3.39Å; E1097-R1099 IonicContact OE2-CZ 3.45Å; E1097-R1099 IonicContact OE2-NE 3.63Å; E1097-R1099 PolarHBondContact OE2-NE 2.93Å; E1097-R1099 IonicContact OE2-NH1 2.94Å; E1097-R1099 IonicContact OE2-NH2 3.51Å; E1097-R1099 PolarHBondContact OE2-NH2 3.41Å; E1097-R1099 VanDerWaalsContact OE2-NH2 3.12Å
1098	L	25.9	Very low	28.8	Very low	144 Å²	144	137.2 Å²	137.2	75%	0.754	73%	0.73	S	S	*	*			cis	68.1	52.1	14.7	-132.7	-176.3	0	0	0	115.8
1099	R	30.3	Very low	28.8	Very low	181 Å²	181	135.4 Å²	135.4	68%	0.683	73%	0.726	S	S	*	*			trans	-146.1	79.3	163.8	-67.9	179.4	-171	-175.8	8.3	108.9	E1097	E1097-R1099 VanDerWaalsContact CD-NE 3.31Å; E1097-R1099 VanDerWaalsContact CD-NH2 3.3Å; E1097-R1099 IonicContact OE1-CZ 3.87Å; E1097-R1099 VanDerWaalsContact OE1-CZ 3.22Å; E1097-R1099 IonicContact OE1-NE 2.75Å; E1097-R1099 PolarHBondContact OE1-NE 2.86Å; E1097-R1099 VanDerWaalsContact OE1-NE 3.09Å; E1097-R1099 IonicContact OE1-NH2 3.51Å; E1097-R1099 PolarHBondContact OE1-NH2 3.09Å; E1097-R1099 WeakPolarHBondContact OE2-CD 3.39Å; E1097-R1099 IonicContact OE2-CZ 3.45Å; E1097-R1099 IonicContact OE2-NE 3.63Å; E1097-R1099 PolarHBondContact OE2-NE 2.93Å; E1097-R1099 IonicContact OE2-NH1 2.94Å; E1097-R1099 IonicContact OE2-NH2 3.51Å; E1097-R1099 PolarHBondContact OE2-NH2 3.41Å; E1097-R1099 VanDerWaalsContact OE2-NH2 3.12Å
1100	N	27.5	Very low	28.7	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	72%	0.724	S	S	*	*				33.6	104.3	77.8	-93.4	-2.8	0	0	0	112.7	K1102	N1100-K1102 PolarHBondContact O-N 3.31Å
1101	G	27.9	Very low	28.9	Very low	84 Å²	84	139 Å²	139	87%	0.866	72%	0.722	S	S	*	*			trans	-59.7	125.7	174.2	0	0	0	0	0	110.6
1102	K	31.2	Very low	29	Very low	169 Å²	169	138.2 Å²	138.2	74%	0.735	72%	0.717	S	S	*	*			trans	-67.4	133.7	178.7	-74.7	-179.2	176.7	178.7	0	110.8	N1100	N1100-K1102 PolarHBondContact O-N 3.31Å
1103	N	26.9	Very low	28.6	Very low	135 Å²	135	137.6 Å²	137.6	72%	0.722	71%	0.713	S	S	*	*			trans	68.9	147.8	135.7	-61.5	4.9	0	0	0	117.1
1104	T	28.7	Very low	28.8	Very low	117 Å²	117	137.3 Å²	137.3	72%	0.718	71%	0.708	S	S	*	*			cis	-162	161.1	0.7	5.2	0	0	0	0	111.7
1105	S	27.1	Very low	28.9	Very low	85 Å²	85	140.6 Å²	140.6	59%	0.594	71%	0.712	S	S	*	*			trans	49.9	104.3	145.3	67.6	0	0	0	0	120.3
1106	K	34.5	Very low	28.9	Very low	200 Å²	200	140.6 Å²	140.6	87%	0.87	71%	0.712	S	S	*	*				-177.1	108.3	109.8	-94.4	156.5	-173.9	178.2	0	107.4
1107	L	25.2	Very low	28.9	Very low	142 Å²	142	139.3 Å²	139.3	74%	0.743	71%	0.709	S	S	*	*				41.4	102.9	64.3	-70.9	159.5	0	0	0	109.7
1108	N	29	Very low	29	Very low	127 Å²	127	140.1 Å²	140.1	68%	0.679	71%	0.712	S	S	*	*				-166.2	176.1	52.7	-92.8	-42.2	0	0	0	112.9
1109	N	30.4	Very low	29.2	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	71%	0.712	S	S	*	*			trans	72.4	134.5	150	-71.1	-7.3	0	0	0	119.5
1110	T	29.4	Very low	29.3	Very low	97 Å²	97	138.6 Å²	138.6	60%	0.595	71%	0.712	S	S	*	*			cis	-167.9	166.3	-24.3	4.5	0	0	0	0	110.1
1111	R	29.9	Very low	29.4	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.777	71%	0.705	S	S	*	*			trans	67.9	110.6	142.6	-76	163.7	-175	171.5	1.4	119.3
1112	N	28.2	Very low	29.4	Very low	113 Å²	113	138.4 Å²	138.4	60%	0.604	70%	0.698	S	S	*	*				93.4	118	123.8	-61.8	-11.4	0	0	0	117.5
1113	L	26.8	Very low	29.4	Very low	140 Å²	140	137.8 Å²	137.8	73%	0.733	70%	0.702	S	S	*	*			cis	93.7	147.9	48	-101.6	82	0	0	0	112.3
1114	K	31.3	Very low	29.4	Very low	144 Å²	144	136.2 Å²	136.2	63%	0.626	70%	0.701	S	S	*	*			trans	80.1	139.7	169.5	-61.2	144.5	-178.3	177.3	0	113.7
1115	R	30.2	Very low	29.4	Very low	199 Å²	199	135.2 Å²	135.2	75%	0.751	70%	0.699	S	S	*	*			cis	-148.7	127	-5.6	-106.9	151.7	-172.9	155.2	-6.7	106.3
1116	N	27.1	Very low	29.6	Very low	133 Å²	133	137.4 Å²	137.4	71%	0.711	70%	0.704	S	S	*	*				73.4	132.4	84.2	-77.9	27.6	0	0	0	114.5
1117	T	28.1	Very low	29.1	Very low	107 Å²	107	134.9 Å²	134.9	66%	0.656	70%	0.699	S	S	*	*			trans	56.6	129.6	141.5	59.1	0	0	0	0	118.2
1118	H	33.4	Very low	29.2	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.657	70%	0.696	S	S	*	*				-153	140.6	57	-95	-93.6	0	0	0	110.3
1119	Q	30.3	Very low	29.1	Very low	159 Å²	159	134.2 Å²	134.2	74%	0.743	70%	0.7	S	S	*	*				58.7	144.6	106.2	-68.8	177.4	-20.1	0	0	115.5
1120	I	33	Very low	28.8	Very low	134 Å²	134	135 Å²	135	69%	0.687	70%	0.7	S	S	*	*			cis	-147	137.1	17.4	-123.5	145.7	0	0	0	107.2
1121	S	29.3	Very low	28.7	Very low	87 Å²	87	136 Å²	136	61%	0.608	70%	0.7	S	S	*	*				57.3	139.9	94.2	124.2	0	0	0	0	114.9
1122	N	28.2	Very low	28.6	Very low	132 Å²	132	130.2 Å²	130.2	71%	0.706	70%	0.696	S	S	*	*			cis	-165.2	168.6	4.7	-126.3	-5	0	0	0	113.4
1123	L	30.3	Very low	28.6	Very low	157 Å²	157	133.4 Å²	133.4	82%	0.822	71%	0.705	S	S	*	*			trans	65.7	140	147.8	-70	163.4	0	0	0	122.1
1124	S	27.8	Very low	28.8	Very low	101 Å²	101	134.8 Å²	134.8	71%	0.706	71%	0.712	S	S	*	*			trans	-98.5	161.1	168.2	53.5	0	0	0	0	111.9
1125	S	28.3	Very low	28.8	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	72%	0.721	S	S	*	*				166.3	167.5	124.5	51.3	0	0	0	0	113.3
1126	N	30.9	Very low	28.9	Very low	131 Å²	131	131.5 Å²	131.5	70%	0.701	72%	0.716	S	S	*	*			trans	72.7	113.8	158.4	-58.4	-17.5	0	0	0	116.8
1127	L	25.2	Very low	28.9	Very low	147 Å²	147	129.1 Å²	129.1	77%	0.77	71%	0.71	S	S	*	*				71	118.6	96.4	-85.8	77.6	0	0	0	111.8
1128	V	26.3	Very low	28.8	Very low	112 Å²	112	130.6 Å²	130.6	68%	0.679	71%	0.714	S	S	*	*				74.5	131.1	61.9	172.9	0	0	0	0	110.7
1129	D	26.1	Very low	28.4	Very low	143 Å²	143	131.3 Å²	131.3	77%	0.765	72%	0.717	S	S	*	*			trans	66.8	145.9	-179.9	-56.1	-24.8	0	0	0	115.1
1130	E	26	Very low	28.2	Very low	156 Å²	156	130.6 Å²	130.6	73%	0.729	72%	0.718	S	S	*	*			cis	-156.2	-179.8	-5.3	-131.8	-161.8	143.3	0	0	112.8
1131	I	26.1	Very low	27.8	Very low	117 Å²	117	129.3 Å²	129.3	60%	0.6	72%	0.721	S	S	*	*			trans	55.6	91.9	149.9	-66.6	163.7	0	0	0	118.4
1132	A	27.4	Very low	27.7	Very low	84 Å²	84	133.4 Å²	133.4	69%	0.694	74%	0.735	S	S	*	*				23.2	139.2	120.6	0	0	0	0	0	121.3
1133	K	29.8	Very low	27.6	Very low	180 Å²	180	132.1 Å²	132.1	78%	0.783	74%	0.736	S	S	*	*				-167.1	135.1	107.5	-98.7	145.3	-168	169.4	0	114.7
1134	L	30.4	Very low	27.4	Very low	169 Å²	169	131.7 Å²	131.7	89%	0.885	73%	0.73	S	S	*	*			trans	74.7	134.1	150.6	-58.8	167.5	0	0	0	121.6
1135	Q	29.9	Very low	27.3	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	73%	0.728	S	S	*	*			trans	-95	-171.9	165.1	-87.9	-96.6	-35.3	0	0	108.7
1136	P	32.9	Very low	27.2	Very low	101 Å²	101	138.6 Å²	138.6	66%	0.656	73%	0.731	S	S	*	*			cis	-140.6	-176.2	6.2	30.7	-5.6	0	0	0	117.4
1137	S	27.8	Very low	26.8	Very low	84 Å²	84	138.9 Å²	138.9	59%	0.587	73%	0.732	S	S	*	*			trans	76.6	125	133.4	56.9	0	0	0	0	125.4
1138	N	26	Very low	26.7	Very low	137 Å²	137	138 Å²	138	73%	0.733	73%	0.727	S	S	*	*				101.9	103.4	127.2	-69.5	4.9	0	0	0	124.2
1139	H	25.3	Very low	26.8	Very low	158 Å²	158	141.9 Å²	141.9	73%	0.731	73%	0.734	S	S	*	*				74.6	117.1	122.3	-80	-72.5	0	0	0	124.7
1140	L	25.2	Very low	26.7	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	74%	0.735	S	S	*	*				111.4	123	122.4	-126	76.9	0	0	0	121.9
1141	S	25.7	Very low	27.2	Very low	107 Å²	107	138.7 Å²	138.7	75%	0.748	73%	0.733	S	S	*	*			trans	54.7	121.9	144.3	56.5	0	0	0	0	121.1
1142	L	26	Very low	27.2	Very low	174 Å²	174	139.6 Å²	139.6	91%	0.911	74%	0.744	S	S	*	*			trans	-132.9	128.9	165.1	-135.4	169.7	0	0	0	109.1
1143	S	26.3	Very low	27	Very low	104 Å²	104	141.4 Å²	141.4	73%	0.727	75%	0.751	S	S	*	*			trans	-128	153.1	172.2	65.2	0	0	0	0	110.1
1144	E	26.9	Very low	26.9	Very low	149 Å²	149	141.1 Å²	141.1	70%	0.696	76%	0.756	S	S	*	*			trans	44.1	111.9	152.9	-116.9	-172	-131.7	0	0	118.3
1145	K	25.3	Very low	26.7	Very low	152 Å²	152	136.3 Å²	136.3	66%	0.661	74%	0.74	S	S	*	*				-175.9	148.5	73.3	-94.9	166.9	-178.3	72	0	114.4
1146	Y	24.8	Very low	26.5	Very low	190 Å²	190	135.6 Å²	135.6	75%	0.745	74%	0.735	S	S	*	*			trans	64.9	131.1	138.7	-76.4	-49.5	0	0	0	126.1
1147	L	23.7	Very low	26.3	Very low	136 Å²	136	139.7 Å²	139.7	71%	0.712	74%	0.737	S	S	*	*			trans	84.4	115.4	133.8	-68.6	166.6	0	0	0	122.5
1148	I	23.7	Very low	26.2	Very low	130 Å²	130	141.3 Å²	141.3	67%	0.667	74%	0.738	S	S	*	*			trans	91.1	136.3	133.7	-68.1	169.5	0	0	0	119.3
1149	K	26.7	Very low	26.2	Very low	192 Å²	192	140.9 Å²	140.9	84%	0.835	74%	0.736	S	S	*	*			trans	75.1	110.3	165.8	-76	157.8	-166.7	175.6	0	120
1150	T	25.9	Very low	26.2	Very low	127 Å²	127	140 Å²	140	78%	0.779	74%	0.737	S	S	*	*			trans	-40	163	140.3	50.1	0	0	0	0	114.2
1151	P	34.7	Very low	26.2	Very low	105 Å²	105	137.8 Å²	137.8	68%	0.682	74%	0.739	S	S	*	*			cis	-154.1	-178.8	40.3	41.8	-19	0	0	0	119.9
1152	T	25.9	Very low	26.3	Very low	136 Å²	136	137.1 Å²	137.1	83%	0.834	74%	0.74	S	S	*	*			trans	51.9	149.4	147.7	42.5	0	0	0	0	123.6
1153	C	24.1	Very low	26.4	Very low	123 Å²	123	139 Å²	139	83%	0.831	74%	0.735	S	S	*	*			trans	-75.4	150.7	169.5	-47.9	0	0	0	0	111.9
1154	I	28.5	Very low	26.5	Very low	174 Å²	174	139.6 Å²	139.6	89%	0.892	73%	0.727	S	S	*	*			trans	-150	162.8	144.9	-103	151.6	0	0	0	107.9
1155	A	26.3	Very low	26.6	Very low	68 Å²	68	142 Å²	142	56%	0.562	73%	0.729	S	S	*	*			trans	-57.8	171	-176.4	0	0	0	0	0	113.9
1156	F	25.6	Very low	26.7	Very low	157 Å²	157	140.8 Å²	140.8	69%	0.689	74%	0.735	S	S	*	*				-164.7	168.2	54.3	-134.4	-168	0	0	0	113.1
1157	R	27	Very low	26.7	Very low	188 Å²	188	139.8 Å²	139.8	71%	0.709	74%	0.737	S	S	*	*			trans	30	111.2	146.8	-66.2	178.8	-177.2	169.9	1.7	118.5
1158	L	27.4	Very low	26.8	Very low	117 Å²	117	141.2 Å²	141.2	61%	0.613	75%	0.745	S	S	*	*				84.4	120.2	77	-87.2	172.3	0	0	0	114.8
1159	N	25.7	Very low	26.9	Very low	129 Å²	129	140.7 Å²	140.7	69%	0.69	75%	0.748	S	S	*	*			trans	69.4	133.5	151.1	-75.8	-3.5	0	0	0	122.8
1160	N	25.5	Very low	26.9	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	76%	0.755	S	S	*	*			trans	78.6	101.8	139.4	-64.4	-4.2	0	0	0	121.4
1161	A	25.2	Very low	26.9	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	74%	0.743	S	S	*	*				90.3	151.2	118.1	0	0	0	0	0	119.8
1162	A	27.4	Very low	26.5	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	75%	0.748	S	S	*	*			trans	55.2	77.1	160.1	0	0	0	0	0	118.9
1163	R	27.1	Very low	26.5	Very low	213 Å²	213	139.2 Å²	139.2	80%	0.804	74%	0.743	S	S	*	*				70.6	136.8	118.3	-96.8	-174	143.7	102.8	-4.3	121.1
1164	E	28.2	Very low	26.7	Very low	117 Å²	117	142 Å²	142	55%	0.547	74%	0.741	S	S	.	*			trans	78.9	136.6	142.9	-66.6	177.6	-175.2	0	0	117.2
1165	R	29.2	Very low	26.6	Very low	198 Å²	198	141.3 Å²	141.3	75%	0.747	74%	0.738	S	S	*	*			cis	-152.9	158.4	5.3	-118.1	162.4	-148.3	173.7	9.1	111.3
1166	V	27.7	Very low	26.5	Very low	128 Å²	128	145.6 Å²	145.6	78%	0.776	75%	0.751	S	S	*	*			trans	59.6	117.5	147.1	171.6	0	0	0	0	116.5
1167	E	25	Very low	26.5	Very low	169 Å²	169	144.8 Å²	144.8	79%	0.79	75%	0.753	S	S	*	*	S	Bend	cis	-135.8	120.6	19	-61.5	177	153.2	0	0	111.1
1168	N	25.6	Very low	26.5	Very low	166 Å²	166	142.8 Å²	142.8	89%	0.888	76%	0.756	S	S	*	*			trans	-174.3	74.5	166.6	-113.8	-74.6	0	0	0	113.2
1169	T	26.2	Very low	26.3	Very low	119 Å²	119	142.6 Å²	142.6	73%	0.73	77%	0.765	S	S	*	*			trans	-148.8	118.7	175.4	44	0	0	0	0	114.2
1170	V	26.7	Very low	26.3	Very low	162 Å²	162	144.9 Å²	144.9	98%	0.982	77%	0.771	S	S	*	*			trans	-114.3	111.1	142.7	176.2	0	0	0	0	105.6
1171	S	26	Very low	26.4	Very low	76 Å²	76	142.9 Å²	142.9	53%	0.531	77%	0.767	S	S	.	*			trans	-148	123.3	-162.1	56.7	0	0	0	0	113.9
1172	F	26.1	Very low	26.7	Very low	176 Å²	176	146.4 Å²	146.4	77%	0.772	77%	0.772	S	S	*	*			trans	66.6	162.9	166	-78.2	-78.7	0	0	0	116	K1174	F1172-K1174 HydrophobicContact CD1-CG 4.33Å
1173	P	26.4	Very low	26.5	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	77%	0.771	S	S	*	*				-106.4	136.4	91.9	-15.4	32.1	0	0	0	114.6	L1175	P1173-L1175 HydrophobicContact CB-CG 4.44Å
1174	K	27.3	Very low	26.7	Very low	181 Å²	181	146.1 Å²	146.1	79%	0.787	77%	0.768	S	S	*	*			trans	-98	120.9	145.4	-85.7	-174.6	170.8	-173.1	0	104.7	F1172	F1172-K1174 HydrophobicContact CD1-CG 4.33Å
1175	L	27.7	Very low	26.7	Very low	159 Å²	159	148 Å²	148	83%	0.832	78%	0.777	S	S	*	*			trans	-115.6	150.6	161.3	-71.9	173.2	0	0	0	107.9	P1173	P1173-L1175 HydrophobicContact CB-CG 4.44Å
1176	L	23.8	Very low	26.6	Very low	158 Å²	158	143.1 Å²	143.1	83%	0.827	77%	0.773	S	S	*	*			trans	-77.8	158.6	-175.7	-61.1	83.6	0	0	0	110.2
1177	I	25.7	Very low	26.6	Very low	140 Å²	140	143.5 Å²	143.5	72%	0.718	77%	0.771	S	S	*	*				-164.1	124.6	122.4	-97.1	152.2	0	0	0	108.5
1178	D	26.3	Very low	26.8	Very low	146 Å²	146	144.8 Å²	144.8	78%	0.781	77%	0.774	S	S	*	*			trans	47.4	103.8	155.3	-51.8	-15.6	0	0	0	121.1
1179	S	23.7	Very low	26.9	Very low	114 Å²	114	142.2 Å²	142.2	80%	0.797	77%	0.767	S	S	*	*			trans	-74.5	112.8	150.2	50.7	0	0	0	0	111.1
1180	H	25.7	Very low	27.3	Very low	177 Å²	177	142 Å²	142	82%	0.819	77%	0.765	S	S	*	*			trans	-156.1	143.8	147.3	-117.5	-74.7	0	0	0	113.4
1181	S	26.7	Very low	27.8	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	76%	0.76	S	S	*	*			trans	47.6	87	152.2	-54.8	0	0	0	0	118.9
1182	L	31.6	Very low	29.2	Very low	171 Å²	171	138.6 Å²	138.6	90%	0.895	76%	0.755	S	S	*	*				-163.3	107.4	104.1	-104.3	169.5	0	0	0	111.5
1183	N	24.9	Very low	31.5	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	73%	0.732	S	S	*	*			trans	-64.8	143.8	160.7	-70.5	-42.4	0	0	0	109.3
1184	H	30.7	Very low	33.8	Very low	159 Å²	159	129.6 Å²	129.6	74%	0.736	71%	0.708	S	S	*	*				-169	98.9	114	-101.6	-75.3	0	0	0	111.5
1185	Q	28.5	Very low	36.5	Very low	155 Å²	155	121 Å²	121	72%	0.724	67%	0.671	S	S	*	*			trans	58.4	106.4	131.8	-71.8	169	-27.4	0	0	121.3
1186	S	25.9	Very low	38.7	Very low	96 Å²	96	120.5 Å²	120.5	67%	0.671	67%	0.669	S	S	*	*				72.8	134.9	125.5	63.7	0	0	0	0	122.7
1187	N	28.3	Very low	41.2	Very low	137 Å²	137	117 Å²	117	73%	0.733	65%	0.65	S	S	*	*			trans	70.3	109.8	153.2	-56.3	-11.7	0	0	0	118.4
1188	F	28.3	Very low	43.9	Very low	195 Å²	195	112.6 Å²	112.6	86%	0.855	63%	0.631	S	S	*	*				177.9	150.4	111.6	-89.3	-63.4	0	0	0	110
1189	P	28.1	Very low	46.6	Very low	112 Å²	112	111.4 Å²	111.4	73%	0.727	63%	0.625	S	S	*	*			trans	-84.1	133.8	-168.2	32.3	-33.9	0	0	0	113.6
1190	V	34.1	Very low	49	Very low	116 Å²	116	111.5 Å²	111.5	70%	0.703	61%	0.611	S	S	*	*			trans	-105.2	74.1	176.9	-170.8	0	0	0	0	111.1	G1192 I1194	V1190-G1192 VanDerWaalsContact C-N 3.25Å; V1190-G1192 PolarHBondContact O-N 2.99Å; V1190-I1194 HydrophobicContact CG1-CD1 4.23Å
1191	S	38.5	Very low	51.6	Low	124 Å²	124	108.9 Å²	108.9	87%	0.867	60%	0.603	S	S	*	*			trans	-75.9	67.4	175	53.2	0	0	0	0	112.2
1192	G	55.6	Low	54.2	Low	42 Å²	42	106.7 Å²	106.7	43%	0.433	58%	0.582	S	S	.	*	S	Bend	trans	-160	149.5	-179.7	0	0	0	0	0	115.1	V1190 I1194	V1190-G1192 VanDerWaalsContact C-N 3.25Å; V1190-G1192 PolarHBondContact O-N 2.99Å; G1192-I1194 PolarHBondContact O-N 2.98Å
1193	N	74.5	Confident	56.3	Low	53 Å²	53	105 Å²	105	28%	0.283	58%	0.578	S	S	.	*			trans	-78.4	58.7	171.7	-65.3	-73.6	0	0	0	110.6	F1202 K1205 L1208	N1193-F1202 HydrophobicContact CB-CB 4.23Å; N1193-F1202 WeakPolarHBondContact CB-O 3.39Å; N1193-F1202 WeakPolarHBondContact O-CB 3.49Å; N1193-F1202 PolarHBondContact O-N 3.32Å; N1193-K1205 WeakPolarHBondContact OD1-CA 3.41Å; N1193-K1205 WeakPolarHBondContact OD1-CB 3.21Å; N1193-K1205 PolarHBondContact OD1-N 2.97Å; N1193-L1208 HydrophobicContact CB-CB 4.41Å; N1193-L1208 HydrophobicContact CB-CD2 4.25Å
1194	I	74.8	Confident	58.8	Low	48 Å²	48	104.2 Å²	104.2	25%	0.246	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	148.8	-180	-47.7	-173.5	0	0	0	109.2	V1190 G1192 K1200 N1201 L1208	V1190-I1194 HydrophobicContact CG1-CD1 4.23Å; G1192-I1194 PolarHBondContact O-N 2.98Å; I1194-K1200 WeakPolarHBondContact CA-O 3.47Å; I1194-N1201 WeakPolarHBondContact CG1-OD1 3.37Å; I1194-L1208 WeakPolarHBondContact O-CD1 3.42Å; I1194-L1208 WeakPolarHBondContact O-CD2 3.25Å
1195	C	82.9	Confident	61	Low	0 Å²	0	103.8 Å²	103.8	0%	0	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-97	111.2	173.6	-178.7	0	0	0	0	112.3	I1197 C1198 N1199 K1200 F1202 L1208 H1211 H1215	C1195-I1197 PolarHBondContact O-N 3.28Å; C1195-C1198 PolarHBondContact O-N 2.9Å; C1195-C1198 VanDerWaalsContact O-N 3.13Å; C1195-N1199 VanDerWaalsContact O-CA 3.3Å; C1195-N1199 WeakPolarHBondContact O-CA 3.35Å; C1195-N1199 PolarHBondContact O-N 3.37Å; C1195-K1200 PolarHBondContact N-O 3.41Å; C1195-F1202 HydrophobicContact CB-CE2 3.98Å; C1195-L1208 HydrophobicContact CB-CD1 3.6Å; C1195-H1211 VanDerWaalsContact CB-CD2 3.43Å; C1195-H1211 WeakPolarHBondContact CB-CD2 3.43Å; C1195-H1211 PolarHBondContact SG-CD2 3.02Å; C1195-H1211 PolarHBondContact SG-NE2 2.79Å; C1195-H1215 VanDerWaalsContact SG-CD2 3.51Å; C1195-H1215 PolarHBondContact SG-NE2 3.27Å; C1195-H1215 VanDerWaalsContact SG-NE2 3.44Å
1196	N	74.9	Confident	63.3	Low	149 Å²	149	99.7 Å²	99.7	80%	0.797	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-9.5	-177.6	-50.8	26.2	0	0	0	115
1197	I	75.7	Confident	65.8	Low	85 Å²	85	97.5 Å²	97.5	44%	0.436	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-20.9	-176.9	-52.9	172.7	0	0	0	112.1	C1195 L1212 H1215 F1216	C1195-I1197 PolarHBondContact O-N 3.28Å; I1197-L1212 HydrophobicContact CD1-CD2 4.03Å; I1197-H1215 HydrophobicContact CD1-CB 3.66Å; I1197-H1215 HydrophobicContact CG2-CB 4.2Å; I1197-H1215 WeakPolarHBondContact CG2-ND1 3.44Å; I1197-F1216 HydrophobicContact CD1-CD1 4.49Å; I1197-F1216 HydrophobicContact CD1-CE1 3.74Å; I1197-F1216 HydrophobicContact CD1-CE2 4.31Å; I1197-F1216 HydrophobicContact CD1-CZ 3.63Å
1198	C	83	Confident	68.4	Low	47 Å²	47	92 Å²	92	32%	0.318	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	21.1	174.7	71.6	0	0	0	0	114.9	C1195 K1200 H1211 H1215	C1195-C1198 PolarHBondContact O-N 2.9Å; C1195-C1198 VanDerWaalsContact O-N 3.13Å; C1198-K1200 PolarHBondContact O-N 2.86Å; C1198-K1200 VanDerWaalsContact SG-CD 3.53Å; C1198-H1211 PolarHBondContact SG-NE2 3.29Å; C1198-H1215 PolarHBondContact SG-CE1 2.79Å; C1198-H1215 PolarHBondContact SG-NE2 2.78Å
1199	N	81.5	Confident	70.7	Confident	122 Å²	122	90.5 Å²	90.5	65%	0.652	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	30.1	175.1	-61	-16.9	0	0	0	115.8	C1195	C1195-N1199 VanDerWaalsContact O-CA 3.3Å; C1195-N1199 WeakPolarHBondContact O-CA 3.35Å; C1195-N1199 PolarHBondContact O-N 3.37Å
1200	K	75.4	Confident	73.1	Confident	115 Å²	115	88.7 Å²	88.7	50%	0.5	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.8	173	-74.1	172.7	-170.1	144.3	0	110.3	I1194 C1195 C1198 F1202	I1194-K1200 WeakPolarHBondContact CA-O 3.47Å; C1195-K1200 PolarHBondContact N-O 3.41Å; C1198-K1200 PolarHBondContact O-N 2.86Å; C1198-K1200 VanDerWaalsContact SG-CD 3.53Å; K1200-F1202 HydrophobicContact CB-CE2 3.62Å; K1200-F1202 HydrophobicContact CB-CZ 3.9Å; K1200-F1202 VanDerWaalsContact O-CD2 3.26Å; K1200-F1202 WeakPolarHBondContact O-CD2 3.4Å; K1200-F1202 WeakPolarHBondContact O-CE2 3.43Å
1201	N	80.1	Confident	75.3	Confident	122 Å²	122	84.1 Å²	84.1	65%	0.652	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.5	171.8	-66	9.3	0	0	0	110.3	I1194	I1194-N1201 WeakPolarHBondContact CG1-OD1 3.37Å
1202	F	80.6	Confident	77.2	Confident	51 Å²	51	80.3 Å²	80.3	22%	0.224	41%	0.412	C	S	.	.			trans	-112	150.3	171.6	-64.8	-90	0	0	0	109.8	N1193 C1195 K1200 K1204 D1207 L1208 H1211	N1193-F1202 HydrophobicContact CB-CB 4.23Å; N1193-F1202 WeakPolarHBondContact CB-O 3.39Å; N1193-F1202 WeakPolarHBondContact O-CB 3.49Å; N1193-F1202 PolarHBondContact O-N 3.32Å; C1195-F1202 HydrophobicContact CB-CE2 3.98Å; K1200-F1202 HydrophobicContact CB-CE2 3.62Å; K1200-F1202 HydrophobicContact CB-CZ 3.9Å; K1200-F1202 VanDerWaalsContact O-CD2 3.26Å; K1200-F1202 WeakPolarHBondContact O-CD2 3.4Å; K1200-F1202 WeakPolarHBondContact O-CE2 3.43Å; F1202-K1204 VanDerWaalsContact C-N 3.29Å; F1202-D1207 HydrophobicContact CD1-CB 3.96Å; F1202-L1208 HydrophobicContact CB-CB 4.15Å; F1202-L1208 HydrophobicContact CD2-CB 4.05Å; F1202-L1208 HydrophobicContact CD2-CD1 4.03Å; F1202-L1208 HydrophobicContact CE2-CD1 4.39Å; F1202-L1208 HydrophobicContact CG-CB 4.13Å; F1202-H1211 HydrophobicContact CE1-CB 3.76Å; F1202-H1211 HydrophobicContact CE2-CB 4.05Å; F1202-H1211 AromaticContact CE2-CD2 3.17Å; F1202-H1211 WeakPolarHBondContact CE2-CD2 3.33Å; F1202-H1211 AromaticContact CE2-CG 3.79Å; F1202-H1211 AromaticContact CE2-NE2 3.94Å; F1202-H1211 HydrophobicContact CZ-CB 3.47Å; F1202-H1211 VanDerWaalsContact CZ-CB 3.47Å; F1202-H1211 AromaticContact CZ-CD2 3.1Å; F1202-H1211 WeakPolarHBondContact CZ-CD2 3.43Å; F1202-H1211 AromaticContact CZ-CG 3.26Å; F1202-H1211 AromaticContact CZ-NE2 3.81Å
1203	T	76.1	Confident	78.3	Confident	134 Å²	134	79.5 Å²	79.5	82%	0.822	40%	0.398	S	S	*	.	S	Bend	trans	-81.7	-10.1	173.9	52.3	0	0	0	0	112.9
1204	K	76.9	Confident	78.4	Confident	127 Å²	127	80.7 Å²	80.7	55%	0.552	41%	0.407	S	S	*	.	S	Bend	trans	-146.3	139	-177	-58.5	-168.1	178	-158.2	0	112.4	F1202 S1206 D1207 L1208	F1202-K1204 VanDerWaalsContact C-N 3.29Å; K1204-S1206 WeakPolarHBondContact CB-OG 3.28Å; K1204-S1206 PolarHBondContact O-N 3.49Å; K1204-S1206 VanDerWaalsContact O-N 3.14Å; K1204-D1207 PolarHBondContact O-N 3.28Å; K1204-L1208 PolarHBondContact O-N 2.35Å; K1204-L1208 VanDerWaalsContact O-N 3.07Å
1205	K	76.8	Confident	78.5	Confident	150 Å²	150	81.7 Å²	81.7	65%	0.652	41%	0.411	S	S	*	.	H	α-helix	trans	-56.2	-28.9	174.1	-157.3	167.1	-174.6	171.3	0	112.8	N1193 R1209	N1193-K1205 WeakPolarHBondContact OD1-CA 3.41Å; N1193-K1205 WeakPolarHBondContact OD1-CB 3.21Å; N1193-K1205 PolarHBondContact OD1-N 2.97Å; K1205-R1209 WeakPolarHBondContact O-CB 3.27Å; K1205-R1209 PolarHBondContact O-N 2.86Å
1206	S	77	Confident	78	Confident	69 Å²	69	87.8 Å²	87.8	48%	0.483	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-34.9	173.7	54.1	0	0	0	0	114.2	K1204 Y1210	K1204-S1206 WeakPolarHBondContact CB-OG 3.28Å; K1204-S1206 PolarHBondContact O-N 3.49Å; K1204-S1206 VanDerWaalsContact O-N 3.14Å; S1206-Y1210 WeakPolarHBondContact O-CB 3.49Å; S1206-Y1210 PolarHBondContact O-N 3.25Å; S1206-Y1210 VanDerWaalsContact O-N 3.1Å
1207	D	79.3	Confident	77.4	Confident	50 Å²	50	83 Å²	83	27%	0.267	42%	0.424	S	S	.	.	H	α-helix	trans	-89.8	-29.3	-178.8	-67.8	-61.4	0	0	0	111.6	F1202 K1204 Y1210 H1211 K1232	F1202-D1207 HydrophobicContact CD1-CB 3.96Å; K1204-D1207 PolarHBondContact O-N 3.28Å; D1207-Y1210 PolarHBondContact O-N 3.34Å; D1207-H1211 VanDerWaalsContact O-CB 3.26Å; D1207-H1211 WeakPolarHBondContact O-CB 3.19Å; D1207-H1211 PolarHBondContact O-N 3.45Å; D1207-K1232 IonicContact OD1-NZ 2.99Å; D1207-K1232 PolarHBondContact OD1-NZ 2.78Å
1208	L	82.5	Confident	77.2	Confident	22 Å²	22	82.7 Å²	82.7	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-57.4	-52.4	160.7	172.3	58.6	0	0	0	111.1	N1193 I1194 C1195 F1202 K1204 Y1210 H1211 L1212	N1193-L1208 HydrophobicContact CB-CB 4.41Å; N1193-L1208 HydrophobicContact CB-CD2 4.25Å; I1194-L1208 WeakPolarHBondContact O-CD1 3.42Å; I1194-L1208 WeakPolarHBondContact O-CD2 3.25Å; C1195-L1208 HydrophobicContact CB-CD1 3.6Å; F1202-L1208 HydrophobicContact CB-CB 4.15Å; F1202-L1208 HydrophobicContact CD2-CB 4.05Å; F1202-L1208 HydrophobicContact CD2-CD1 4.03Å; F1202-L1208 HydrophobicContact CE2-CD1 4.39Å; F1202-L1208 HydrophobicContact CG-CB 4.13Å; K1204-L1208 PolarHBondContact O-N 2.35Å; K1204-L1208 VanDerWaalsContact O-N 3.07Å; L1208-Y1210 VanDerWaalsContact C-N 3.32Å; L1208-Y1210 PolarHBondContact O-N 3.27Å; L1208-H1211 CarbonylContact O-C 3.53Å; L1208-H1211 PolarHBondContact O-N 3.15Å; L1208-L1212 HydrophobicContact CD1-CD1 3.99Å; L1208-L1212 HydrophobicContact CD1-CG 3.99Å; L1208-L1212 HydrophobicContact CG-CD1 4Å; L1208-L1212 HydrophobicContact CG-CG 4.46Å; L1208-L1212 WeakPolarHBondContact O-CG 3.31Å; L1208-L1212 PolarHBondContact O-N 2.76Å
1209	R	77.7	Confident	76.8	Confident	162 Å²	162	87 Å²	87	61%	0.611	43%	0.432	S	S	*	.	H	α-helix	trans	-58.4	-42.3	177.9	-173.2	-177	-70.4	167.6	-4.9	112.1	K1205 H1211 L1212 N1213	K1205-R1209 WeakPolarHBondContact O-CB 3.27Å; K1205-R1209 PolarHBondContact O-N 2.86Å; R1209-H1211 VanDerWaalsContact C-N 3.31Å; R1209-H1211 PolarHBondContact O-N 3.28Å; R1209-L1212 PolarHBondContact O-N 3.31Å; R1209-N1213 PolarHBondContact O-N 3.4Å; R1209-N1213 VanDerWaalsContact O-N 3.12Å; R1209-N1213 PolarHBondContact O-OD1 3.45Å
1210	Y	76.4	Confident	76.5	Confident	74 Å²	74	84.2 Å²	84.2	29%	0.29	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-35.4	174.1	171.6	-107.5	0	0	0	113.3	S1206 D1207 L1208 N1213 V1214 M1231 K1232	S1206-Y1210 WeakPolarHBondContact O-CB 3.49Å; S1206-Y1210 PolarHBondContact O-N 3.25Å; S1206-Y1210 VanDerWaalsContact O-N 3.1Å; D1207-Y1210 PolarHBondContact O-N 3.34Å; L1208-Y1210 VanDerWaalsContact C-N 3.32Å; L1208-Y1210 PolarHBondContact O-N 3.27Å; Y1210-N1213 WeakPolarHBondContact O-CB 3.3Å; Y1210-V1214 PolarHBondContact O-N 3.49Å; Y1210-M1231 HydrophobicContact CD2-CB 4.13Å; Y1210-M1231 HydrophobicContact CE2-CB 3.67Å; Y1210-K1232 VanDerWaalsContact CB-CE 3.46Å; Y1210-K1232 HydrophobicContact CD2-CD 3.87Å; Y1210-K1232 HydrophobicContact CD2-CG 3.37Å; Y1210-K1232 HydrophobicContact CE2-CD 4.19Å; Y1210-K1232 HydrophobicContact CE2-CG 3.71Å; Y1210-K1232 HydrophobicContact CG-CD 4.25Å; Y1210-K1232 HydrophobicContact CG-CG 4.19Å
1211	H	81.4	Confident	76.8	Confident	21 Å²	21	82.6 Å²	82.6	10%	0.097	41%	0.411	C	S	.	.	H	α-helix	trans	-76.9	-34.4	178	172.1	53.2	0	0	0	112.9	C1195 C1198 F1202 D1207 L1208 R1209 N1213 V1214 H1215	C1195-H1211 VanDerWaalsContact CB-CD2 3.43Å; C1195-H1211 WeakPolarHBondContact CB-CD2 3.43Å; C1195-H1211 PolarHBondContact SG-CD2 3.02Å; C1195-H1211 PolarHBondContact SG-NE2 2.79Å; C1198-H1211 PolarHBondContact SG-NE2 3.29Å; F1202-H1211 HydrophobicContact CE1-CB 3.76Å; F1202-H1211 HydrophobicContact CE2-CB 4.05Å; F1202-H1211 AromaticContact CE2-CD2 3.17Å; F1202-H1211 WeakPolarHBondContact CE2-CD2 3.33Å; F1202-H1211 AromaticContact CE2-CG 3.79Å; F1202-H1211 AromaticContact CE2-NE2 3.94Å; F1202-H1211 HydrophobicContact CZ-CB 3.47Å; F1202-H1211 VanDerWaalsContact CZ-CB 3.47Å; F1202-H1211 AromaticContact CZ-CD2 3.1Å; F1202-H1211 WeakPolarHBondContact CZ-CD2 3.43Å; F1202-H1211 AromaticContact CZ-CG 3.26Å; F1202-H1211 AromaticContact CZ-NE2 3.81Å; D1207-H1211 VanDerWaalsContact O-CB 3.26Å; D1207-H1211 WeakPolarHBondContact O-CB 3.19Å; D1207-H1211 PolarHBondContact O-N 3.45Å; L1208-H1211 CarbonylContact O-C 3.53Å; L1208-H1211 PolarHBondContact O-N 3.15Å; R1209-H1211 VanDerWaalsContact C-N 3.31Å; R1209-H1211 PolarHBondContact O-N 3.28Å; H1211-N1213 VanDerWaalsContact C-N 3.28Å; H1211-N1213 PolarHBondContact O-N 3.02Å; H1211-V1214 WeakPolarHBondContact O-CA 3.36Å; H1211-V1214 VanDerWaalsContact O-CB 3.28Å; H1211-V1214 WeakPolarHBondContact O-CB 3.46Å; H1211-V1214 PolarHBondContact O-N 2.76Å; H1211-H1215 AromaticContact CD2-NE2 3.88Å; H1211-H1215 AromaticContact CE1-CD2 3.65Å; H1211-H1215 AromaticContact CE1-CE1 3.86Å; H1211-H1215 AromaticContact CE1-NE2 3.05Å; H1211-H1215 PolarHBondContact CE1-NE2 3.12Å; H1211-H1215 AromaticContact ND1-NE2 3.96Å; H1211-H1215 AromaticContact NE2-CD2 3.66Å; H1211-H1215 AromaticContact NE2-NE2 3Å; H1211-H1215 PolarHBondContact NE2-NE2 2.91Å; H1211-H1215 PolarHBondContact O-CD2 3.37Å; H1211-H1215 PolarHBondContact O-N 2.98Å
1212	L	77.8	Confident	76.7	Confident	44 Å²	44	80.3 Å²	80.3	23%	0.23	40%	0.397	C	S	.	.	H	α-helix	trans	-59.4	-41	169	-71.9	167.8	0	0	0	110.8	I1197 L1208 R1209 V1214 H1215 F1216	I1197-L1212 HydrophobicContact CD1-CD2 4.03Å; L1208-L1212 HydrophobicContact CD1-CD1 3.99Å; L1208-L1212 HydrophobicContact CD1-CG 3.99Å; L1208-L1212 HydrophobicContact CG-CD1 4Å; L1208-L1212 HydrophobicContact CG-CG 4.46Å; L1208-L1212 WeakPolarHBondContact O-CG 3.31Å; L1208-L1212 PolarHBondContact O-N 2.76Å; R1209-L1212 PolarHBondContact O-N 3.31Å; L1212-V1214 PolarHBondContact O-N 2.91Å; L1212-V1214 VanDerWaalsContact O-N 3.14Å; L1212-H1215 PolarHBondContact O-N 3.29Å; L1212-F1216 HydrophobicContact CB-CD2 4.28Å; L1212-F1216 HydrophobicContact CB-CE2 4.02Å; L1212-F1216 HydrophobicContact CD2-CE2 4.17Å; L1212-F1216 WeakPolarHBondContact O-CD2 3.44Å; L1212-F1216 PolarHBondContact O-N 3.36Å
1213	N	80.2	Confident	76.9	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.134	39%	0.386	C	S	.	.	H	α-helix	trans	-59.8	-21.1	170.5	-67.5	2.1	0	0	0	113.7	R1209 Y1210 H1211 G1217 I1218 M1231	R1209-N1213 PolarHBondContact O-N 3.4Å; R1209-N1213 VanDerWaalsContact O-N 3.12Å; R1209-N1213 PolarHBondContact O-OD1 3.45Å; Y1210-N1213 WeakPolarHBondContact O-CB 3.3Å; H1211-N1213 VanDerWaalsContact C-N 3.28Å; H1211-N1213 PolarHBondContact O-N 3.02Å; N1213-G1217 CarbonylContact O-C 3.54Å; N1213-G1217 PolarHBondContact O-N 3.25Å; N1213-I1218 PolarHBondContact O-N 2.99Å; N1213-I1218 VanDerWaalsContact O-N 3.16Å; N1213-M1231 HydrophobicContact CB-CE 4.18Å; N1213-M1231 WeakPolarHBondContact O-CE 3Å
1214	V	75.3	Confident	77.3	Confident	78 Å²	78	76.8 Å²	76.8	47%	0.473	38%	0.375	S	S	.	.	H	α-helix	trans	-78.8	-38.1	173	-179.3	0	0	0	0	111.4	Y1210 H1211 L1212 M1231	Y1210-V1214 PolarHBondContact O-N 3.49Å; H1211-V1214 WeakPolarHBondContact O-CA 3.36Å; H1211-V1214 VanDerWaalsContact O-CB 3.28Å; H1211-V1214 WeakPolarHBondContact O-CB 3.46Å; H1211-V1214 PolarHBondContact O-N 2.76Å; L1212-V1214 PolarHBondContact O-N 2.91Å; L1212-V1214 VanDerWaalsContact O-N 3.14Å; V1214-M1231 HydrophobicContact CB-CE 4.37Å; V1214-M1231 HydrophobicContact CG2-CE 3.79Å
1215	H	77.2	Confident	77.2	Confident	69 Å²	69	77 Å²	77	32%	0.319	38%	0.376	S	S	.	.	H	α-helix	trans	-68.1	-47.2	175.7	-72.1	-67.3	0	0	0	112.3	C1195 I1197 C1198 H1211 L1212 G1217	C1195-H1215 VanDerWaalsContact SG-CD2 3.51Å; C1195-H1215 PolarHBondContact SG-NE2 3.27Å; C1195-H1215 VanDerWaalsContact SG-NE2 3.44Å; I1197-H1215 HydrophobicContact CD1-CB 3.66Å; I1197-H1215 HydrophobicContact CG2-CB 4.2Å; I1197-H1215 WeakPolarHBondContact CG2-ND1 3.44Å; C1198-H1215 PolarHBondContact SG-CE1 2.79Å; C1198-H1215 PolarHBondContact SG-NE2 2.78Å; H1211-H1215 AromaticContact CD2-NE2 3.88Å; H1211-H1215 AromaticContact CE1-CD2 3.65Å; H1211-H1215 AromaticContact CE1-CE1 3.86Å; H1211-H1215 AromaticContact CE1-NE2 3.05Å; H1211-H1215 PolarHBondContact CE1-NE2 3.12Å; H1211-H1215 AromaticContact ND1-NE2 3.96Å; H1211-H1215 AromaticContact NE2-CD2 3.66Å; H1211-H1215 AromaticContact NE2-NE2 3Å; H1211-H1215 PolarHBondContact NE2-NE2 2.91Å; H1211-H1215 PolarHBondContact O-CD2 3.37Å; H1211-H1215 PolarHBondContact O-N 2.98Å; L1212-H1215 PolarHBondContact O-N 3.29Å; H1215-G1217 PolarHBondContact O-N 2.88Å
1216	F	71.8	Confident	77.6	Confident	127 Å²	127	72.1 Å²	72.1	56%	0.557	36%	0.36	S	S	*	.	S	Bend	trans	-79.4	-0.9	179.9	-54.9	-56.2	0	0	0	113.4	I1197 L1212 I1218	I1197-F1216 HydrophobicContact CD1-CD1 4.49Å; I1197-F1216 HydrophobicContact CD1-CE1 3.74Å; I1197-F1216 HydrophobicContact CD1-CE2 4.31Å; I1197-F1216 HydrophobicContact CD1-CZ 3.63Å; L1212-F1216 HydrophobicContact CB-CD2 4.28Å; L1212-F1216 HydrophobicContact CB-CE2 4.02Å; L1212-F1216 HydrophobicContact CD2-CE2 4.17Å; L1212-F1216 WeakPolarHBondContact O-CD2 3.44Å; L1212-F1216 PolarHBondContact O-N 3.36Å; F1216-I1218 HydrophobicContact CB-CD1 3.64Å; F1216-I1218 HydrophobicContact CB-CG1 3.65Å; F1216-I1218 HydrophobicContact CD2-CD1 4.46Å; F1216-I1218 HydrophobicContact CG-CD1 4.33Å; F1216-I1218 WeakPolarHBondContact O-CG1 3.09Å; F1216-I1218 PolarHBondContact O-N 3.43Å
1217	G	63.9	Low	77.8	Confident	50 Å²	50	74.9 Å²	74.9	52%	0.515	37%	0.365	S	S	.	.			trans	65.1	-4.3	-173.7	0	0	0	0	0	115.8	N1213 H1215 R1219	N1213-G1217 CarbonylContact O-C 3.54Å; N1213-G1217 PolarHBondContact O-N 3.25Å; H1215-G1217 PolarHBondContact O-N 2.88Å; G1217-R1219 PolarHBondContact O-N 2.99Å
1218	I	71.1	Confident	77.9	Confident	77 Å²	77	80.3 Å²	80.3	40%	0.395	38%	0.382	S	S	.	.			trans	-63.7	128.6	-168.7	-55.3	171.2	0	0	0	111.4	N1213 F1216 P1220	N1213-I1218 PolarHBondContact O-N 2.99Å; N1213-I1218 VanDerWaalsContact O-N 3.16Å; F1216-I1218 HydrophobicContact CB-CD1 3.64Å; F1216-I1218 HydrophobicContact CB-CG1 3.65Å; F1216-I1218 HydrophobicContact CD2-CD1 4.46Å; F1216-I1218 HydrophobicContact CG-CD1 4.33Å; F1216-I1218 WeakPolarHBondContact O-CG1 3.09Å; F1216-I1218 PolarHBondContact O-N 3.43Å; I1218-P1220 HydrophobicContact CG2-CB 4.05Å; I1218-P1220 HydrophobicContact CG2-CG 4.33Å; I1218-P1220 WeakPolarHBondContact O-CD 3.16Å
1219	R	74.6	Confident	77.8	Confident	139 Å²	139	85.5 Å²	85.5	53%	0.525	40%	0.4	S	S	.	.			trans	-115.1	81.9	173	-57.4	168.5	93.1	118.5	-2.2	107.8	G1217 Y1221 R1229 F1230 M1231	G1217-R1219 PolarHBondContact O-N 2.99Å; R1219-Y1221 VanDerWaalsContact C-N 3.32Å; R1219-Y1221 PolarHBondContact O-N 2.89Å; R1219-R1229 HydrophobicContact CB-CB 3.58Å; R1219-R1229 PolarHBondContact NE-O 2.86Å; R1219-R1229 PolarHBondContact O-NE 3.32Å; R1219-R1229 PolarHBondContact O-NH2 2.8Å; R1219-F1230 CarbonylContact C-O 3.58Å; R1219-F1230 VanDerWaalsContact C-O 3.27Å; R1219-F1230 WeakPolarHBondContact CA-O 3.34Å; R1219-M1231 HydrophobicContact CG-CG 3.96Å
1220	P	74.8	Confident	77.9	Confident	62 Å²	62	79.7 Å²	79.7	40%	0.403	38%	0.379	S	S	.	.			trans	-81.6	-8.2	-165.1	32.1	-34	0	0	0	113.9	I1218 F1230	I1218-P1220 HydrophobicContact CG2-CB 4.05Å; I1218-P1220 HydrophobicContact CG2-CG 4.33Å; I1218-P1220 WeakPolarHBondContact O-CD 3.16Å; P1220-F1230 WeakPolarHBondContact CD-O 3.3Å
1221	Y	81.2	Confident	77.8	Confident	82 Å²	82	77.7 Å²	77.7	32%	0.322	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-105	90.3	-177.7	-57.6	-73.5	0	0	0	110.5	R1219 F1230 H1233	R1219-Y1221 VanDerWaalsContact C-N 3.32Å; R1219-Y1221 PolarHBondContact O-N 2.89Å; Y1221-F1230 PolarHBondContact N-O 3.22Å; Y1221-F1230 VanDerWaalsContact N-O 3.13Å; Y1221-F1230 WeakPolarHBondContact O-CB 3.49Å; Y1221-F1230 WeakPolarHBondContact O-CD2 3.19Å; Y1221-F1230 PolarHBondContact O-N 3.05Å; Y1221-H1233 HydrophobicContact CD1-CB 3.84Å; Y1221-H1233 VanDerWaalsContact CD2-N 3.31Å; Y1221-H1233 HydrophobicContact CE1-CB 3.73Å; Y1221-H1233 HydrophobicContact CG-CB 4.31Å
1222	E	78.2	Confident	77.6	Confident	73 Å²	73	79.5 Å²	79.5	34%	0.341	38%	0.381	S	S	.	.			trans	-79.4	159.2	175.9	-165	158.4	131.6	0	0	112.7	H1227 R1228 R1229 L1236	E1222-H1227 IonicContact OE1-CE1 2.7Å; E1222-H1227 IonicContact OE1-CG 3.71Å; E1222-H1227 IonicContact OE1-ND1 3.12Å; E1222-H1227 PolarHBondContact OE1-ND1 2.9Å; E1222-R1228 CarbonylContact C-O 3.38Å; E1222-R1229 HydrophobicContact CB-CG 4.01Å; E1222-R1229 HydrophobicContact CG-CG 3.81Å; E1222-R1229 WeakPolarHBondContact OE2-CD 3.23Å; E1222-R1229 WeakPolarHBondContact OE2-CG 3.48Å; E1222-R1229 IonicContact OE2-NE 3.65Å; E1222-L1236 WeakPolarHBondContact O-CD1 3.29Å; E1222-L1236 WeakPolarHBondContact O-CD2 3.39Å
1223	C	85.7	Confident	77.6	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	39%	0.394	C	S	.	.			trans	-106.9	107.1	170.6	-166.7	0	0	0	0	111.7	K1225 C1226 H1227 R1228 F1230 L1236 H1239 H1244	C1223-K1225 PolarHBondContact O-N 2.97Å; C1223-C1226 PolarHBondContact O-N 3.43Å; C1223-H1227 WeakPolarHBondContact O-CA 3.38Å; C1223-H1227 PolarHBondContact O-N 3.46Å; C1223-R1228 PolarHBondContact N-O 3.39Å; C1223-F1230 HydrophobicContact CB-CE2 4.34Å; C1223-L1236 HydrophobicContact CB-CD1 3.45Å; C1223-L1236 VanDerWaalsContact CB-CD1 3.45Å; C1223-H1239 PolarHBondContact SG-CD2 3.3Å; C1223-H1239 PolarHBondContact SG-NE2 3.22Å; C1223-H1239 VanDerWaalsContact SG-NE2 3.37Å; C1223-H1244 PolarHBondContact SG-NE2 3.36Å
1224	D	82.6	Confident	77.4	Confident	111 Å²	111	85.1 Å²	85.1	59%	0.594	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	12.7	169.5	38.1	-74.1	0	0	0	116.8	K1240	D1224-K1240 VanDerWaalsContact OD1-CE 3.32Å; D1224-K1240 WeakPolarHBondContact OD1-CE 3.48Å; D1224-K1240 IonicContact OD1-NZ 3.72Å; D1224-K1240 PolarHBondContact OD1-NZ 2.92Å; D1224-K1240 WeakPolarHBondContact OD2-CE 3.46Å; D1224-K1240 IonicContact OD2-NZ 3.86Å; D1224-K1240 PolarHBondContact OD2-NZ 3.11Å
1225	K	76.9	Confident	77.6	Confident	132 Å²	132	84.9 Å²	84.9	57%	0.574	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.6	-6.8	171.9	-76.9	-169.5	170.1	-165.6	0	115	C1223 H1244	C1223-K1225 PolarHBondContact O-N 2.97Å; K1225-H1244 HydrophobicContact CD-CB 3.7Å; K1225-H1244 PolarHBondContact O-CE1 3.11Å
1226	C	84	Confident	78	Confident	47 Å²	47	82.1 Å²	82.1	32%	0.318	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-164.2	21.1	173.6	76.8	0	0	0	0	114.3	C1223 R1228 H1239 H1244	C1223-C1226 PolarHBondContact O-N 3.43Å; C1226-R1228 PolarHBondContact O-N 3.05Å; C1226-H1239 PolarHBondContact SG-CE1 3.16Å; C1226-H1239 PolarHBondContact SG-NE2 2.84Å; C1226-H1244 WeakPolarHBondContact CB-CE1 3.37Å; C1226-H1244 WeakPolarHBondContact CB-NE2 3.33Å; C1226-H1244 PolarHBondContact SG-NE2 3.41Å
1227	H	81.4	Confident	78.2	Confident	128 Å²	128	83.3 Å²	83.3	59%	0.593	40%	0.395	S	S	*	.			trans	52.2	18.1	174.8	-55.6	-73.1	0	0	0	116.7	E1222 C1223 R1229	E1222-H1227 IonicContact OE1-CE1 2.7Å; E1222-H1227 IonicContact OE1-CG 3.71Å; E1222-H1227 IonicContact OE1-ND1 3.12Å; E1222-H1227 PolarHBondContact OE1-ND1 2.9Å; C1223-H1227 WeakPolarHBondContact O-CA 3.38Å; C1223-H1227 PolarHBondContact O-N 3.46Å; H1227-R1229 PolarHBondContact O-N 3.2Å
1228	R	80.4	Confident	78.8	Confident	164 Å²	164	85.3 Å²	85.3	62%	0.619	39%	0.391	S	S	*	.			trans	-74.3	119.3	177.4	-81.2	-173.4	166.2	-165.2	-3.6	110.5	E1222 C1223 C1226 F1230	E1222-R1228 CarbonylContact C-O 3.38Å; C1223-R1228 PolarHBondContact N-O 3.39Å; C1226-R1228 PolarHBondContact O-N 3.05Å; R1228-F1230 HydrophobicContact CB-CE2 3.7Å; R1228-F1230 HydrophobicContact CB-CZ 3.84Å; R1228-F1230 WeakPolarHBondContact O-CD2 3.11Å; R1228-F1230 WeakPolarHBondContact O-CE2 3.45Å
1229	R	80.6	Confident	79.2	Confident	131 Å²	131	82.4 Å²	82.4	49%	0.494	38%	0.376	S	S	.	.			trans	-92.5	126.8	-178.7	-61.5	-179	71.4	159.4	6.8	112.9	R1219 E1222 H1227	R1219-R1229 HydrophobicContact CB-CB 3.58Å; R1219-R1229 PolarHBondContact NE-O 2.86Å; R1219-R1229 PolarHBondContact O-NE 3.32Å; R1219-R1229 PolarHBondContact O-NH2 2.8Å; E1222-R1229 HydrophobicContact CB-CG 4.01Å; E1222-R1229 HydrophobicContact CG-CG 3.81Å; E1222-R1229 WeakPolarHBondContact OE2-CD 3.23Å; E1222-R1229 WeakPolarHBondContact OE2-CG 3.48Å; E1222-R1229 IonicContact OE2-NE 3.65Å; H1227-R1229 PolarHBondContact O-N 3.2Å
1230	F	81	Confident	79.4	Confident	39 Å²	39	78.2 Å²	78.2	17%	0.171	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-116.6	160.8	-175.7	-60.7	-83.9	0	0	0	112.3	R1219 P1220 Y1221 C1223 R1228 Q1235 L1236 H1239	R1219-F1230 CarbonylContact C-O 3.58Å; R1219-F1230 VanDerWaalsContact C-O 3.27Å; R1219-F1230 WeakPolarHBondContact CA-O 3.34Å; P1220-F1230 WeakPolarHBondContact CD-O 3.3Å; Y1221-F1230 PolarHBondContact N-O 3.22Å; Y1221-F1230 VanDerWaalsContact N-O 3.13Å; Y1221-F1230 WeakPolarHBondContact O-CB 3.49Å; Y1221-F1230 WeakPolarHBondContact O-CD2 3.19Å; Y1221-F1230 PolarHBondContact O-N 3.05Å; C1223-F1230 HydrophobicContact CB-CE2 4.34Å; R1228-F1230 HydrophobicContact CB-CE2 3.7Å; R1228-F1230 HydrophobicContact CB-CZ 3.84Å; R1228-F1230 WeakPolarHBondContact O-CD2 3.11Å; R1228-F1230 WeakPolarHBondContact O-CE2 3.45Å; F1230-Q1235 HydrophobicContact CB-CB 3.96Å; F1230-Q1235 HydrophobicContact CD1-CB 3.75Å; F1230-Q1235 HydrophobicContact CG-CB 4.09Å; F1230-L1236 HydrophobicContact CB-CB 4.42Å; F1230-L1236 HydrophobicContact CD2-CB 3.97Å; F1230-L1236 HydrophobicContact CD2-CD1 3.95Å; F1230-L1236 HydrophobicContact CE2-CD1 4.12Å; F1230-L1236 HydrophobicContact CG-CB 4.39Å; F1230-H1239 HydrophobicContact CE1-CB 4.07Å; F1230-H1239 HydrophobicContact CE2-CB 3.89Å; F1230-H1239 AromaticContact CE2-CD2 3.32Å; F1230-H1239 WeakPolarHBondContact CE2-CD2 3.47Å; F1230-H1239 AromaticContact CE2-CG 3.7Å; F1230-H1239 HydrophobicContact CZ-CB 3.45Å; F1230-H1239 VanDerWaalsContact CZ-CB 3.45Å; F1230-H1239 AromaticContact CZ-CD2 3.47Å; F1230-H1239 VanDerWaalsContact CZ-CD2 3.47Å; F1230-H1239 WeakPolarHBondContact CZ-CD2 2.88Å; F1230-H1239 AromaticContact CZ-CG 3.36Å
1231	M	74.8	Confident	79.3	Confident	33 Å²	33	80.2 Å²	80.2	16%	0.163	36%	0.364	C	S	.	.	S	Bend	trans	-100.1	-15.7	-174.6	-61.1	-177.4	93.6	0	0	113.7	Y1210 N1213 V1214 R1219	Y1210-M1231 HydrophobicContact CD2-CB 4.13Å; Y1210-M1231 HydrophobicContact CE2-CB 3.67Å; N1213-M1231 HydrophobicContact CB-CE 4.18Å; N1213-M1231 WeakPolarHBondContact O-CE 3Å; V1214-M1231 HydrophobicContact CB-CE 4.37Å; V1214-M1231 HydrophobicContact CG2-CE 3.79Å; R1219-M1231 HydrophobicContact CG-CG 3.96Å
1232	K	76.2	Confident	78.9	Confident	59 Å²	59	82.2 Å²	82.2	26%	0.257	38%	0.375	S	S	.	.	S	Bend	trans	-131.8	141.9	167.4	-62.3	-165.5	174.7	-164.9	0	110.4	D1207 Y1210 S1234 Q1235 L1236	D1207-K1232 IonicContact OD1-NZ 2.99Å; D1207-K1232 PolarHBondContact OD1-NZ 2.78Å; Y1210-K1232 VanDerWaalsContact CB-CE 3.46Å; Y1210-K1232 HydrophobicContact CD2-CD 3.87Å; Y1210-K1232 HydrophobicContact CD2-CG 3.37Å; Y1210-K1232 HydrophobicContact CE2-CD 4.19Å; Y1210-K1232 HydrophobicContact CE2-CG 3.71Å; Y1210-K1232 HydrophobicContact CG-CD 4.25Å; Y1210-K1232 HydrophobicContact CG-CG 4.19Å; K1232-S1234 PolarHBondContact O-N 3.3Å; K1232-S1234 VanDerWaalsContact O-N 3.1Å; K1232-Q1235 HydrophobicContact CB-CG 4.28Å; K1232-Q1235 VanDerWaalsContact N-OE1 3.12Å; K1232-Q1235 WeakPolarHBondContact O-CB 3.18Å; K1232-Q1235 PolarHBondContact O-N 3.14Å; K1232-L1236 PolarHBondContact O-N 2.92Å
1233	H	78.3	Confident	78.7	Confident	108 Å²	108	82.6 Å²	82.6	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-53.9	-32	174	-176.1	-127.4	0	0	0	113.1	Y1221 Q1235 L1236 R1237	Y1221-H1233 HydrophobicContact CD1-CB 3.84Å; Y1221-H1233 VanDerWaalsContact CD2-N 3.31Å; Y1221-H1233 HydrophobicContact CE1-CB 3.73Å; Y1221-H1233 HydrophobicContact CG-CB 4.31Å; H1233-Q1235 VanDerWaalsContact C-N 3.3Å; H1233-Q1235 PolarHBondContact O-N 3.39Å; H1233-L1236 WeakPolarHBondContact O-CB 3.18Å; H1233-L1236 PolarHBondContact O-N 2.7Å; H1233-R1237 PolarHBondContact O-N 2.94Å
1234	S	75.9	Confident	78.3	Confident	79 Å²	79	85.3 Å²	85.3	55%	0.552	39%	0.394	S	S	*	.	H	α-helix	trans	-66.7	-26.5	175.3	56.2	0	0	0	0	114.3	K1232 Q1238	K1232-S1234 PolarHBondContact O-N 3.3Å; K1232-S1234 VanDerWaalsContact O-N 3.1Å; S1234-Q1238 VanDerWaalsContact O-CB 3.29Å; S1234-Q1238 WeakPolarHBondContact O-CB 3.11Å; S1234-Q1238 PolarHBondContact O-N 2.75Å; S1234-Q1238 VanDerWaalsContact O-N 3.12Å
1235	Q	79.6	Confident	77.5	Confident	73 Å²	73	85 Å²	85	34%	0.341	39%	0.389	S	S	.	.	H	α-helix	trans	-73.4	-44.7	172	-64.2	169.5	-24	0	0	110.2	F1230 K1232 H1233 Q1238 H1239	F1230-Q1235 HydrophobicContact CB-CB 3.96Å; F1230-Q1235 HydrophobicContact CD1-CB 3.75Å; F1230-Q1235 HydrophobicContact CG-CB 4.09Å; K1232-Q1235 HydrophobicContact CB-CG 4.28Å; K1232-Q1235 VanDerWaalsContact N-OE1 3.12Å; K1232-Q1235 WeakPolarHBondContact O-CB 3.18Å; K1232-Q1235 PolarHBondContact O-N 3.14Å; H1233-Q1235 VanDerWaalsContact C-N 3.3Å; H1233-Q1235 PolarHBondContact O-N 3.39Å; Q1235-Q1238 PolarHBondContact O-N 2.95Å; Q1235-H1239 WeakPolarHBondContact O-CB 3.42Å; Q1235-H1239 PolarHBondContact O-N 3.47Å
1236	L	84.6	Confident	76	Confident	11 Å²	11	82.5 Å²	82.5	6%	0.058	39%	0.389	C	S	.	.	H	α-helix	trans	-57.6	-51.2	173.7	172.5	60.3	0	0	0	111.4	E1222 C1223 F1230 K1232 H1233 Q1238 H1239 K1240	E1222-L1236 WeakPolarHBondContact O-CD1 3.29Å; E1222-L1236 WeakPolarHBondContact O-CD2 3.39Å; C1223-L1236 HydrophobicContact CB-CD1 3.45Å; C1223-L1236 VanDerWaalsContact CB-CD1 3.45Å; F1230-L1236 HydrophobicContact CB-CB 4.42Å; F1230-L1236 HydrophobicContact CD2-CB 3.97Å; F1230-L1236 HydrophobicContact CD2-CD1 3.95Å; F1230-L1236 HydrophobicContact CE2-CD1 4.12Å; F1230-L1236 HydrophobicContact CG-CB 4.39Å; K1232-L1236 PolarHBondContact O-N 2.92Å; H1233-L1236 WeakPolarHBondContact O-CB 3.18Å; H1233-L1236 PolarHBondContact O-N 2.7Å; L1236-Q1238 VanDerWaalsContact C-N 3.32Å; L1236-Q1238 PolarHBondContact O-N 3.07Å; L1236-H1239 CarbonylContact O-C 3.51Å; L1236-H1239 WeakPolarHBondContact O-CA 3.45Å; L1236-H1239 WeakPolarHBondContact O-CB 3.41Å; L1236-H1239 PolarHBondContact O-N 2.98Å; L1236-K1240 HydrophobicContact CD1-CG 4.23Å; L1236-K1240 PolarHBondContact O-N 3.26Å
1237	R	76.9	Confident	73.9	Confident	151 Å²	151	87.5 Å²	87.5	57%	0.57	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-39.4	179	-160.6	-178.6	-163.8	-168.7	9	112.3	H1233 H1239 F1241	H1233-R1237 PolarHBondContact O-N 2.94Å; R1237-H1239 VanDerWaalsContact C-N 3.29Å; R1237-H1239 PolarHBondContact O-N 3.4Å; R1237-F1241 WeakPolarHBondContact O-CB 3.33Å; R1237-F1241 PolarHBondContact O-N 2.91Å; R1237-F1241 VanDerWaalsContact O-N 3.11Å
1238	Q	75.6	Confident	71.5	Confident	92 Å²	92	89.3 Å²	89.3	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-67.9	-29.9	173.9	-178.9	171.4	109.3	0	0	112.4	S1234 Q1235 L1236 K1242	S1234-Q1238 VanDerWaalsContact O-CB 3.29Å; S1234-Q1238 WeakPolarHBondContact O-CB 3.11Å; S1234-Q1238 PolarHBondContact O-N 2.75Å; S1234-Q1238 VanDerWaalsContact O-N 3.12Å; Q1235-Q1238 PolarHBondContact O-N 2.95Å; L1236-Q1238 VanDerWaalsContact C-N 3.32Å; L1236-Q1238 PolarHBondContact O-N 3.07Å; Q1238-K1242 VanDerWaalsContact CD-NZ 3.27Å; Q1238-K1242 HydrophobicContact CG-CD 3.84Å; Q1238-K1242 HydrophobicContact CG-CG 4.39Å; Q1238-K1242 VanDerWaalsContact O-CB 3.27Å; Q1238-K1242 WeakPolarHBondContact O-CB 3.27Å; Q1238-K1242 VanDerWaalsContact O-CG 3.22Å; Q1238-K1242 WeakPolarHBondContact O-CG 3.43Å; Q1238-K1242 PolarHBondContact O-N 2.88Å
1239	H	79.4	Confident	69.2	Low	16 Å²	16	86 Å²	86	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-72.2	-47.7	174.3	162.2	58.9	0	0	0	111.8	C1223 C1226 F1230 Q1235 L1236 R1237 F1241 K1242 V1243 H1244	C1223-H1239 PolarHBondContact SG-CD2 3.3Å; C1223-H1239 PolarHBondContact SG-NE2 3.22Å; C1223-H1239 VanDerWaalsContact SG-NE2 3.37Å; C1226-H1239 PolarHBondContact SG-CE1 3.16Å; C1226-H1239 PolarHBondContact SG-NE2 2.84Å; F1230-H1239 HydrophobicContact CE1-CB 4.07Å; F1230-H1239 HydrophobicContact CE2-CB 3.89Å; F1230-H1239 AromaticContact CE2-CD2 3.32Å; F1230-H1239 WeakPolarHBondContact CE2-CD2 3.47Å; F1230-H1239 AromaticContact CE2-CG 3.7Å; F1230-H1239 HydrophobicContact CZ-CB 3.45Å; F1230-H1239 VanDerWaalsContact CZ-CB 3.45Å; F1230-H1239 AromaticContact CZ-CD2 3.47Å; F1230-H1239 VanDerWaalsContact CZ-CD2 3.47Å; F1230-H1239 WeakPolarHBondContact CZ-CD2 2.88Å; F1230-H1239 AromaticContact CZ-CG 3.36Å; Q1235-H1239 WeakPolarHBondContact O-CB 3.42Å; Q1235-H1239 PolarHBondContact O-N 3.47Å; L1236-H1239 CarbonylContact O-C 3.51Å; L1236-H1239 WeakPolarHBondContact O-CA 3.45Å; L1236-H1239 WeakPolarHBondContact O-CB 3.41Å; L1236-H1239 PolarHBondContact O-N 2.98Å; R1237-H1239 VanDerWaalsContact C-N 3.29Å; R1237-H1239 PolarHBondContact O-N 3.4Å; H1239-F1241 VanDerWaalsContact C-N 3.35Å; H1239-F1241 PolarHBondContact O-N 2.86Å; H1239-K1242 PolarHBondContact O-N 3.41Å; H1239-K1242 VanDerWaalsContact O-N 3.12Å; H1239-V1243 VanDerWaalsContact ND1-CG2 3.31Å; H1239-V1243 WeakPolarHBondContact ND1-CG2 3.36Å; H1239-V1243 WeakPolarHBondContact O-CB 3.42Å; H1239-V1243 PolarHBondContact O-N 2.99Å; H1239-H1244 AromaticContact CD2-NE2 3.73Å; H1239-H1244 AromaticContact CE1-NE2 3.06Å; H1239-H1244 PolarHBondContact CE1-NE2 2.8Å; H1239-H1244 AromaticContact NE2-CD2 3.84Å; H1239-H1244 AromaticContact NE2-NE2 2.64Å; H1239-H1244 PolarHBondContact NE2-NE2 3.14Å
1240	K	79.1	Confident	67.1	Low	51 Å²	51	89.8 Å²	89.8	22%	0.222	45%	0.445	C	S	.	.	I	π-helix	trans	-52.6	-52.1	173.5	-67.4	-167.8	-175.2	-169.4	0	111	D1224 L1236 K1242 V1243 H1244 E1245	D1224-K1240 VanDerWaalsContact OD1-CE 3.32Å; D1224-K1240 WeakPolarHBondContact OD1-CE 3.48Å; D1224-K1240 IonicContact OD1-NZ 3.72Å; D1224-K1240 PolarHBondContact OD1-NZ 2.92Å; D1224-K1240 WeakPolarHBondContact OD2-CE 3.46Å; D1224-K1240 IonicContact OD2-NZ 3.86Å; D1224-K1240 PolarHBondContact OD2-NZ 3.11Å; L1236-K1240 HydrophobicContact CD1-CG 4.23Å; L1236-K1240 PolarHBondContact O-N 3.26Å; K1240-K1242 VanDerWaalsContact C-N 3.32Å; K1240-K1242 PolarHBondContact O-N 2.82Å; K1240-V1243 PolarHBondContact O-N 3.01Å; K1240-H1244 WeakPolarHBondContact O-CA 3.45Å; K1240-H1244 WeakPolarHBondContact O-CB 3.43Å; K1240-H1244 PolarHBondContact O-N 3.34Å; K1240-E1245 PolarHBondContact O-N 3.1Å
1241	F	74.1	Confident	64.9	Low	105 Å²	105	94.2 Å²	94.2	46%	0.461	47%	0.469	S	S	.	.	I	π-helix	trans	-59.1	-35.5	177.6	-172	-96.7	0	0	0	114.7	R1237 H1239 E1245	R1237-F1241 WeakPolarHBondContact O-CB 3.33Å; R1237-F1241 PolarHBondContact O-N 2.91Å; R1237-F1241 VanDerWaalsContact O-N 3.11Å; H1239-F1241 VanDerWaalsContact C-N 3.35Å; H1239-F1241 PolarHBondContact O-N 2.86Å; F1241-E1245 WeakPolarHBondContact CA-OE2 3.5Å; F1241-E1245 WeakPolarHBondContact CD2-OE2 3.37Å
1242	K	71.6	Confident	62.9	Low	124 Å²	124	99 Å²	99	54%	0.539	50%	0.5	S	S	.	.	I	π-helix	trans	-91.6	-19.1	-174.7	-76.7	179.7	178.1	175.2	0	115.6	Q1238 H1239 K1240 S1246	Q1238-K1242 VanDerWaalsContact CD-NZ 3.27Å; Q1238-K1242 HydrophobicContact CG-CD 3.84Å; Q1238-K1242 HydrophobicContact CG-CG 4.39Å; Q1238-K1242 VanDerWaalsContact O-CB 3.27Å; Q1238-K1242 WeakPolarHBondContact O-CB 3.27Å; Q1238-K1242 VanDerWaalsContact O-CG 3.22Å; Q1238-K1242 WeakPolarHBondContact O-CG 3.43Å; Q1238-K1242 PolarHBondContact O-N 2.88Å; H1239-K1242 PolarHBondContact O-N 3.41Å; H1239-K1242 VanDerWaalsContact O-N 3.12Å; K1240-K1242 VanDerWaalsContact C-N 3.32Å; K1240-K1242 PolarHBondContact O-N 2.82Å; K1242-S1246 PolarHBondContact O-OG 3.15Å
1243	V	73.5	Confident	61.1	Low	80 Å²	80	99.9 Å²	99.9	49%	0.485	51%	0.507	S	S	.	.	I	π-helix	trans	-120.1	-30.3	-172.1	-177.5	0	0	0	0	111.7	H1239 K1240	H1239-V1243 VanDerWaalsContact ND1-CG2 3.31Å; H1239-V1243 WeakPolarHBondContact ND1-CG2 3.36Å; H1239-V1243 WeakPolarHBondContact O-CB 3.42Å; H1239-V1243 PolarHBondContact O-N 2.99Å; K1240-V1243 PolarHBondContact O-N 3.01Å
1244	H	77.9	Confident	59.3	Low	58 Å²	58	99.1 Å²	99.1	27%	0.269	51%	0.51	S	S	.	.	I	π-helix	trans	-118.4	-5.3	-170.2	-60.1	-55.5	0	0	0	114.5	C1223 K1225 C1226 H1239 K1240	C1223-H1244 PolarHBondContact SG-NE2 3.36Å; K1225-H1244 HydrophobicContact CD-CB 3.7Å; K1225-H1244 PolarHBondContact O-CE1 3.11Å; C1226-H1244 WeakPolarHBondContact CB-CE1 3.37Å; C1226-H1244 WeakPolarHBondContact CB-NE2 3.33Å; C1226-H1244 PolarHBondContact SG-NE2 3.41Å; H1239-H1244 AromaticContact CD2-NE2 3.73Å; H1239-H1244 AromaticContact CE1-NE2 3.06Å; H1239-H1244 PolarHBondContact CE1-NE2 2.8Å; H1239-H1244 AromaticContact NE2-CD2 3.84Å; H1239-H1244 AromaticContact NE2-NE2 2.64Å; H1239-H1244 PolarHBondContact NE2-NE2 3.14Å; K1240-H1244 WeakPolarHBondContact O-CA 3.45Å; K1240-H1244 WeakPolarHBondContact O-CB 3.43Å; K1240-H1244 PolarHBondContact O-N 3.34Å
1245	E	66.9	Low	57.4	Low	103 Å²	103	100 Å²	100	48%	0.481	52%	0.516	S	S	.	.	S	Bend	trans	-130	0	-175.3	-61.5	169.4	-168.9	0	0	113	K1240 F1241 N1247	K1240-E1245 PolarHBondContact O-N 3.1Å; F1241-E1245 WeakPolarHBondContact CA-OE2 3.5Å; F1241-E1245 WeakPolarHBondContact CD2-OE2 3.37Å; E1245-N1247 VanDerWaalsContact C-N 3.31Å; E1245-N1247 PolarHBondContact O-N 3.47Å; E1245-N1247 VanDerWaalsContact O-N 3.13Å
1246	S	45.1	Very low	55.5	Low	81 Å²	81	105.3 Å²	105.3	57%	0.566	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	7.2	-162	47.4	0	0	0	0	117.1	K1242	K1242-S1246 PolarHBondContact O-OG 3.15Å
1247	N	38.3	Very low	53.5	Low	152 Å²	152	110.9 Å²	110.9	81%	0.813	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-0.7	-177.9	-87.2	7.8	0	0	0	115.3	E1245 S1249	E1245-N1247 VanDerWaalsContact C-N 3.31Å; E1245-N1247 PolarHBondContact O-N 3.47Å; E1245-N1247 VanDerWaalsContact O-N 3.13Å; N1247-S1249 PolarHBondContact O-N 2.93Å
1248	M	31.3	Very low	51.7	Low	165 Å²	165	110.9 Å²	110.9	81%	0.813	57%	0.566	S	S	*	*			trans	-74.7	93.9	-178.2	-77.2	-69.7	164.2	0	0	112.7
1249	S	32.4	Very low	49.8	Very low	96 Å²	96	109.6 Å²	109.6	67%	0.671	57%	0.571	S	S	*	*			trans	-138.3	144.6	168.4	65.8	0	0	0	0	111.7	N1247	N1247-S1249 PolarHBondContact O-N 2.93Å
1250	K	37.5	Very low	48.1	Very low	209 Å²	209	116.6 Å²	116.6	91%	0.909	61%	0.608	S	S	*	*	S	Bend	trans	75.6	1.8	177.7	-57.5	-172.6	176.8	-177.2	0	120.6
1251	I	34.2	Very low	46.3	Very low	133 Å²	133	117.8 Å²	117.8	68%	0.682	62%	0.615	S	S	*	*			trans	-99.6	134.3	177.7	-59.3	179.8	0	0	0	112.5	L1253	I1251-L1253 PolarHBondContact O-N 2.92Å
1252	V	32.9	Very low	44.9	Very low	133 Å²	133	121.4 Å²	121.4	81%	0.806	63%	0.631	S	S	*	*			trans	-68.1	122.3	176.7	178.5	0	0	0	0	110.4
1253	L	37.8	Very low	43.9	Very low	78 Å²	78	122.4 Å²	122.4	41%	0.408	64%	0.638	S	S	.	*			trans	-101.1	113.4	-179.6	-72.4	170.5	0	0	0	111.6	I1251 K1257 M1261	I1251-L1253 PolarHBondContact O-N 2.92Å; L1253-K1257 HydrophobicContact CD2-CB 4.42Å; L1253-K1257 HydrophobicContact CD2-CD 3.68Å; L1253-M1261 HydrophobicContact CD1-CE 3.73Å
1254	T	40	Very low	43.1	Very low	91 Å²	91	120.5 Å²	120.5	56%	0.558	63%	0.63	S	S	*	*			trans	-63.2	159	-178.3	55.4	0	0	0	0	113.3	K1256 K1257	T1254-K1256 VanDerWaalsContact C-N 3.31Å; T1254-K1256 PolarHBondContact O-N 3.48Å; T1254-K1257 PolarHBondContact O-N 3.38Å
1255	S	36	Very low	42.6	Very low	97 Å²	97	120.1 Å²	120.1	68%	0.678	63%	0.629	S	S	*	*	H	α-helix	trans	-47.4	-46.5	-174.5	51.2	0	0	0	0	114	K1257 K1258	S1255-K1257 VanDerWaalsContact C-N 3.28Å; S1255-K1257 PolarHBondContact O-N 3.34Å; S1255-K1258 WeakPolarHBondContact O-CB 3.41Å; S1255-K1258 PolarHBondContact O-N 3.11Å; S1255-K1258 VanDerWaalsContact O-N 3.09Å
1256	K	39.5	Very low	42.8	Very low	185 Å²	185	119.3 Å²	119.3	80%	0.804	63%	0.625	S	S	*	*	H	α-helix	trans	-58.2	-32.8	178.8	-72.7	-179.9	176.9	174.7	0	113.6	T1254	T1254-K1256 VanDerWaalsContact C-N 3.31Å; T1254-K1256 PolarHBondContact O-N 3.48Å
1257	K	43.3	Very low	44.3	Very low	128 Å²	128	115.6 Å²	115.6	56%	0.557	60%	0.598	S	S	*	*	H	α-helix	trans	-76.9	-17.5	178.7	-73.2	-175.3	178.1	176.7	0	113.6	L1253 T1254 S1255 A1259	L1253-K1257 HydrophobicContact CD2-CB 4.42Å; L1253-K1257 HydrophobicContact CD2-CD 3.68Å; T1254-K1257 PolarHBondContact O-N 3.38Å; S1255-K1257 VanDerWaalsContact C-N 3.28Å; S1255-K1257 PolarHBondContact O-N 3.34Å; K1257-A1259 VanDerWaalsContact C-N 3.28Å; K1257-A1259 PolarHBondContact O-N 3.25Å
1258	K	39.4	Very low	46	Very low	151 Å²	151	114.9 Å²	114.9	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-65.5	-29.8	174.2	-64.1	-178.2	178.5	177.3	0	112.4	S1255 L1260 M1261	S1255-K1258 WeakPolarHBondContact O-CB 3.41Å; S1255-K1258 PolarHBondContact O-N 3.11Å; S1255-K1258 VanDerWaalsContact O-N 3.09Å; K1258-L1260 PolarHBondContact O-N 3.12Å; K1258-M1261 PolarHBondContact O-N 3.19Å; K1258-M1261 VanDerWaalsContact O-N 3.16Å
1259	A	35.8	Very low	48.1	Very low	66 Å²	66	111.2 Å²	111.2	55%	0.545	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-64.4	-33.5	-177.5	0	0	0	0	0	114	K1257 M1261	K1257-A1259 VanDerWaalsContact C-N 3.28Å; K1257-A1259 PolarHBondContact O-N 3.25Å; A1259-M1261 VanDerWaalsContact C-N 3.29Å; A1259-M1261 PolarHBondContact O-N 3.4Å
1260	L	43.7	Very low	50.2	Low	162 Å²	162	109.6 Å²	109.6	85%	0.848	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-75.3	-14.3	176.8	-92.1	72.7	0	0	0	113.4	K1258 K1262	K1258-L1260 PolarHBondContact O-N 3.12Å; L1260-K1262 VanDerWaalsContact C-N 3.32Å; L1260-K1262 PolarHBondContact O-N 2.86Å
1261	M	41.8	Very low	51.9	Low	76 Å²	76	102.3 Å²	102.3	37%	0.374	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-84.2	11.8	-170	-73.1	-169.9	158	0	0	115.6	L1253 K1258 A1259 H1263 A1264 F1266	L1253-M1261 HydrophobicContact CD1-CE 3.73Å; K1258-M1261 PolarHBondContact O-N 3.19Å; K1258-M1261 VanDerWaalsContact O-N 3.16Å; A1259-M1261 VanDerWaalsContact C-N 3.29Å; A1259-M1261 PolarHBondContact O-N 3.4Å; M1261-H1263 PolarHBondContact O-N 2.92Å; M1261-A1264 PolarHBondContact O-N 2.88Å; M1261-F1266 HydrophobicContact CE-CE2 4.26Å; M1261-F1266 HydrophobicContact CE-CZ 4.31Å; M1261-F1266 HydrophobicContact SD-CE2 3.92Å
1262	K	44.6	Very low	53.7	Low	182 Å²	182	98.4 Å²	98.4	79%	0.791	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-11.3	-171.9	-76	-171.4	176	-175.5	0	117.1	L1260	L1260-K1262 VanDerWaalsContact C-N 3.32Å; L1260-K1262 PolarHBondContact O-N 2.86Å
1263	H	49.9	Very low	55.6	Low	145 Å²	145	93.8 Å²	93.8	67%	0.671	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	11.1	178.1	-59.1	-50.6	0	0	0	115.8	M1261	M1261-H1263 PolarHBondContact O-N 2.92Å
1264	A	57.2	Low	57.3	Low	39 Å²	39	92.2 Å²	92.2	32%	0.322	50%	0.499	S	S	.	.			trans	-104.3	103.7	174.3	0	0	0	0	0	110.3	M1261 F1266	M1261-A1264 PolarHBondContact O-N 2.88Å; A1264-F1266 HydrophobicContact CB-CD2 4.3Å; A1264-F1266 HydrophobicContact CB-CE2 3.48Å; A1264-F1266 VanDerWaalsContact CB-CE2 3.48Å; A1264-F1266 HydrophobicContact CB-CZ 3.72Å; A1264-F1266 VanDerWaalsContact O-CD2 3.25Å; A1264-F1266 WeakPolarHBondContact O-CD2 3.25Å; A1264-F1266 WeakPolarHBondContact O-CE2 3.44Å; A1264-F1266 PolarHBondContact O-N 3.01Å
1265	L	66.8	Low	58.5	Low	50 Å²	50	92.5 Å²	92.5	26%	0.262	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	91.8	-172.6	-74.6	158.3	0	0	0	110.8	F1274 S1276 R1277 L1280	L1265-F1274 PolarHBondContact N-O 3.4Å; L1265-F1274 WeakPolarHBondContact O-CB 3.48Å; L1265-F1274 WeakPolarHBondContact O-CD2 3.42Å; L1265-F1274 PolarHBondContact O-N 2.96Å; L1265-S1276 VanDerWaalsContact CD1-C 3.46Å; L1265-R1277 HydrophobicContact CD1-CB 3.97Å; L1265-R1277 VanDerWaalsContact CD1-N 3.26Å; L1265-L1280 HydrophobicContact CB-CB 4.38Å; L1265-L1280 HydrophobicContact CB-CD2 4.01Å; L1265-L1280 HydrophobicContact CD2-CD2 4.29Å
1266	F	70.5	Confident	60.3	Low	87 Å²	87	89.9 Å²	89.9	38%	0.382	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	151.8	180	-58.6	-80.4	0	0	0	112.8	M1261 A1264 G1271 S1272 L1280	M1261-F1266 HydrophobicContact CE-CE2 4.26Å; M1261-F1266 HydrophobicContact CE-CZ 4.31Å; M1261-F1266 HydrophobicContact SD-CE2 3.92Å; A1264-F1266 HydrophobicContact CB-CD2 4.3Å; A1264-F1266 HydrophobicContact CB-CE2 3.48Å; A1264-F1266 VanDerWaalsContact CB-CE2 3.48Å; A1264-F1266 HydrophobicContact CB-CZ 3.72Å; A1264-F1266 VanDerWaalsContact O-CD2 3.25Å; A1264-F1266 WeakPolarHBondContact O-CD2 3.25Å; A1264-F1266 WeakPolarHBondContact O-CE2 3.44Å; A1264-F1266 PolarHBondContact O-N 3.01Å; F1266-G1271 WeakPolarHBondContact CD1-O 3.43Å; F1266-S1272 CarbonylContact C-O 3.49Å; F1266-S1272 WeakPolarHBondContact CA-O 3.47Å; F1266-L1280 WeakPolarHBondContact O-CD2 3.22Å
1267	C	78.2	Confident	62	Low	2 Å²	2	89.4 Å²	89.4	1%	0.014	48%	0.479	C	S	.	.			trans	-87	121.2	168.5	-171.6	0	0	0	0	111.5	L1269 C1270 G1271 S1272 F1274 L1280 H1283 H1287	C1267-L1269 PolarHBondContact O-N 3.34Å; C1267-L1269 VanDerWaalsContact O-N 3.14Å; C1267-L1269 PolarHBondContact SG-N 2.85Å; C1267-C1270 PolarHBondContact O-N 3.34Å; C1267-G1271 WeakPolarHBondContact O-CA 3.09Å; C1267-G1271 PolarHBondContact O-N 2.9Å; C1267-S1272 PolarHBondContact N-O 3.24Å; C1267-F1274 HydrophobicContact CB-CE2 4.11Å; C1267-L1280 HydrophobicContact CB-CD1 3.75Å; C1267-H1283 VanDerWaalsContact CB-CD2 3.46Å; C1267-H1283 WeakPolarHBondContact CB-CD2 3.44Å; C1267-H1283 VanDerWaalsContact CB-NE2 3.33Å; C1267-H1283 WeakPolarHBondContact CB-NE2 3.43Å; C1267-H1283 VanDerWaalsContact SG-CD2 3.51Å; C1267-H1283 PolarHBondContact SG-NE2 3.39Å; C1267-H1283 VanDerWaalsContact SG-NE2 3.44Å; C1267-H1287 VanDerWaalsContact SG-CD2 3.53Å
1268	H	74.3	Confident	63.6	Low	137 Å²	137	87.8 Å²	87.8	63%	0.634	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.3	175.5	55.3	-87.4	0	0	0	113.7
1269	L	75	Confident	65.4	Low	89 Å²	89	82.7 Å²	82.7	47%	0.466	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-12.2	-177.2	-56.5	173.2	0	0	0	114.5	C1267 H1287	C1267-L1269 PolarHBondContact O-N 3.34Å; C1267-L1269 VanDerWaalsContact O-N 3.14Å; C1267-L1269 PolarHBondContact SG-N 2.85Å; L1269-H1287 HydrophobicContact CB-CB 4.3Å; L1269-H1287 HydrophobicContact CD1-CB 3.39Å; L1269-H1287 HydrophobicContact CG-CB 4.46Å
1270	C	75	Confident	67.6	Low	62 Å²	62	80.7 Å²	80.7	42%	0.419	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.5	18.4	177.8	76	0	0	0	0	116	C1267 S1272 H1283 H1287	C1267-C1270 PolarHBondContact O-N 3.34Å; C1270-S1272 PolarHBondContact O-N 3.42Å; C1270-S1272 PolarHBondContact SG-OG 3.33Å; C1270-S1272 VanDerWaalsContact SG-OG 3.34Å; C1270-H1283 PolarHBondContact SG-CE1 3.26Å; C1270-H1283 PolarHBondContact SG-NE2 2.98Å; C1270-H1287 VanDerWaalsContact SG-CE1 3.53Å; C1270-H1287 PolarHBondContact SG-NE2 3.47Å
1271	G	73.8	Confident	69.3	Low	55 Å²	55	80.6 Å²	80.6	57%	0.567	44%	0.436	S	S	*	.			trans	65.4	-4.2	175.9	0	0	0	0	0	116.7	F1266 C1267 G1273	F1266-G1271 WeakPolarHBondContact CD1-O 3.43Å; C1267-G1271 WeakPolarHBondContact O-CA 3.09Å; C1267-G1271 PolarHBondContact O-N 2.9Å; G1271-G1273 PolarHBondContact O-N 3.47Å
1272	S	73.4	Confident	71.2	Confident	51 Å²	51	79.6 Å²	79.6	36%	0.357	43%	0.432	S	S	.	.			trans	-67.4	129.6	-174.5	-64.8	0	0	0	0	111.9	F1266 C1267 C1270 F1274	F1266-S1272 CarbonylContact C-O 3.49Å; F1266-S1272 WeakPolarHBondContact CA-O 3.47Å; C1267-S1272 PolarHBondContact N-O 3.24Å; C1270-S1272 PolarHBondContact O-N 3.42Å; C1270-S1272 PolarHBondContact SG-OG 3.33Å; C1270-S1272 VanDerWaalsContact SG-OG 3.34Å; S1272-F1274 VanDerWaalsContact O-CD2 3.23Å; S1272-F1274 WeakPolarHBondContact O-CD2 3.47Å; S1272-F1274 WeakPolarHBondContact O-CE2 3.29Å
1273	G	71.4	Confident	72.9	Confident	36 Å²	36	72.3 Å²	72.3	37%	0.371	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.3	179.4	0	0	0	0	0	113.8	G1271	G1271-G1273 PolarHBondContact O-N 3.47Å
1274	F	73.2	Confident	74.3	Confident	46 Å²	46	66.8 Å²	66.8	20%	0.202	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.7	-179.5	-64.9	-82.2	0	0	0	113	L1265 C1267 S1272 S1276 L1280 H1283	L1265-F1274 PolarHBondContact N-O 3.4Å; L1265-F1274 WeakPolarHBondContact O-CB 3.48Å; L1265-F1274 WeakPolarHBondContact O-CD2 3.42Å; L1265-F1274 PolarHBondContact O-N 2.96Å; C1267-F1274 HydrophobicContact CB-CE2 4.11Å; S1272-F1274 VanDerWaalsContact O-CD2 3.23Å; S1272-F1274 WeakPolarHBondContact O-CD2 3.47Å; S1272-F1274 WeakPolarHBondContact O-CE2 3.29Å; F1274-S1276 VanDerWaalsContact C-N 3.31Å; F1274-S1276 PolarHBondContact O-N 2.83Å; F1274-L1280 HydrophobicContact CB-CB 4.07Å; F1274-L1280 HydrophobicContact CD2-CB 4.16Å; F1274-L1280 HydrophobicContact CD2-CD1 3.79Å; F1274-L1280 HydrophobicContact CE2-CD1 4.24Å; F1274-L1280 HydrophobicContact CG-CB 4.22Å; F1274-H1283 HydrophobicContact CD1-CB 4.46Å; F1274-H1283 HydrophobicContact CE1-CB 3.73Å; F1274-H1283 AromaticContact CE1-CG 3.9Å; F1274-H1283 HydrophobicContact CE2-CB 3.96Å; F1274-H1283 AromaticContact CE2-CD2 3.24Å; F1274-H1283 WeakPolarHBondContact CE2-CD2 3.44Å; F1274-H1283 AromaticContact CE2-CG 3.54Å; F1274-H1283 AromaticContact CE2-NE2 3.66Å; F1274-H1283 HydrophobicContact CZ-CB 3.48Å; F1274-H1283 VanDerWaalsContact CZ-CB 3.48Å; F1274-H1283 AromaticContact CZ-CD2 3.36Å; F1274-H1283 WeakPolarHBondContact CZ-CD2 3.31Å; F1274-H1283 AromaticContact CZ-CE1 3.75Å; F1274-H1283 AromaticContact CZ-CG 3.13Å; F1274-H1283 AromaticContact CZ-ND1 3.42Å; F1274-H1283 WeakPolarHBondContact CZ-ND1 3.28Å; F1274-H1283 AromaticContact CZ-NE2 3.72Å
1275	S	66	Low	75.3	Confident	97 Å²	97	68.1 Å²	68.1	68%	0.678	37%	0.373	S	S	*	.	S	Bend	trans	-85.5	8.2	-179	70.8	0	0	0	0	114.9
1276	S	73.6	Confident	75.7	Confident	41 Å²	41	70.9 Å²	70.9	29%	0.287	39%	0.388	S	S	.	.	S	Bend	trans	-164.5	155	172.5	80.2	0	0	0	0	111.9	L1265 F1274 S1278 S1279 L1280	L1265-S1276 VanDerWaalsContact CD1-C 3.46Å; F1274-S1276 VanDerWaalsContact C-N 3.31Å; F1274-S1276 PolarHBondContact O-N 2.83Å; S1276-S1278 PolarHBondContact O-N 3.37Å; S1276-S1279 WeakPolarHBondContact O-CB 3.29Å; S1276-S1279 PolarHBondContact O-N 3.5Å; S1276-S1279 VanDerWaalsContact O-N 3.09Å; S1276-S1279 WeakPolarHBondContact OG-CB 3.23Å; S1276-S1279 PolarHBondContact OG-N 3.17Å; S1276-S1279 PolarHBondContact OG-OG 3.18Å; S1276-L1280 PolarHBondContact O-N 2.95Å
1277	R	76	Confident	75.9	Confident	176 Å²	176	70.4 Å²	70.4	66%	0.664	39%	0.387	S	S	*	.	H	α-helix	trans	-65.4	-30.6	177.6	-166.3	167.8	171.1	97.5	-11.7	111.1	L1265 R1281	L1265-R1277 HydrophobicContact CD1-CB 3.97Å; L1265-R1277 VanDerWaalsContact CD1-N 3.26Å; R1277-R1281 WeakPolarHBondContact O-CB 3.27Å; R1277-R1281 PolarHBondContact O-N 3.28Å
1278	S	76.2	Confident	75.5	Confident	93 Å²	93	73.2 Å²	73.2	65%	0.65	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-42.5	170.5	-52.2	0	0	0	0	112.5	S1276 L1282	S1276-S1278 PolarHBondContact O-N 3.37Å; S1278-L1282 VanDerWaalsContact O-CB 3.26Å; S1278-L1282 WeakPolarHBondContact O-CB 3.1Å; S1278-L1282 PolarHBondContact O-N 2.85Å
1279	S	77.9	Confident	75.1	Confident	44 Å²	44	68.6 Å²	68.6	31%	0.308	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-44.7	176	-59.5	0	0	0	0	111.4	S1276 L1282 H1283	S1276-S1279 WeakPolarHBondContact O-CB 3.29Å; S1276-S1279 PolarHBondContact O-N 3.5Å; S1276-S1279 VanDerWaalsContact O-N 3.09Å; S1276-S1279 WeakPolarHBondContact OG-CB 3.23Å; S1276-S1279 PolarHBondContact OG-N 3.17Å; S1276-S1279 PolarHBondContact OG-OG 3.18Å; S1279-L1282 PolarHBondContact O-N 3.48Å; S1279-H1283 WeakPolarHBondContact O-CB 3.44Å; S1279-H1283 PolarHBondContact O-N 3.08Å
1280	L	82	Confident	74.5	Confident	24 Å²	24	67 Å²	67	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-51.2	174.9	173.6	59	0	0	0	111.3	L1265 F1266 C1267 F1274 S1276 L1282 H1283 V1284	L1265-L1280 HydrophobicContact CB-CB 4.38Å; L1265-L1280 HydrophobicContact CB-CD2 4.01Å; L1265-L1280 HydrophobicContact CD2-CD2 4.29Å; F1266-L1280 WeakPolarHBondContact O-CD2 3.22Å; C1267-L1280 HydrophobicContact CB-CD1 3.75Å; F1274-L1280 HydrophobicContact CB-CB 4.07Å; F1274-L1280 HydrophobicContact CD2-CB 4.16Å; F1274-L1280 HydrophobicContact CD2-CD1 3.79Å; F1274-L1280 HydrophobicContact CE2-CD1 4.24Å; F1274-L1280 HydrophobicContact CG-CB 4.22Å; S1276-L1280 PolarHBondContact O-N 2.95Å; L1280-L1282 PolarHBondContact O-N 3Å; L1280-H1283 CarbonylContact O-C 3.57Å; L1280-H1283 WeakPolarHBondContact O-CA 3.27Å; L1280-H1283 PolarHBondContact O-N 3.23Å; L1280-V1284 HydrophobicContact CD1-CG2 3.85Å; L1280-V1284 HydrophobicContact CG-CG2 4.3Å; L1280-V1284 WeakPolarHBondContact O-CG2 3.47Å; L1280-V1284 PolarHBondContact O-N 3.36Å
1281	R	79.9	Confident	73.6	Confident	161 Å²	161	71.9 Å²	71.9	61%	0.608	40%	0.397	S	S	*	.	H	α-helix	trans	-57.9	-36.3	178.5	-173.3	-176.9	-84.3	-179	-6.5	111.6	R1277 R1285	R1277-R1281 WeakPolarHBondContact O-CB 3.27Å; R1277-R1281 PolarHBondContact O-N 3.28Å; R1281-R1285 WeakPolarHBondContact O-CG 3.42Å; R1281-R1285 PolarHBondContact O-N 3.05Å
1282	L	80.2	Confident	73.2	Confident	55 Å²	55	71.7 Å²	71.7	29%	0.288	40%	0.395	S	S	.	.	H	α-helix	trans	-69.5	-34	174.9	-162.4	81.3	0	0	0	113.2	S1278 S1279 L1280 H1303 N1304	S1278-L1282 VanDerWaalsContact O-CB 3.26Å; S1278-L1282 WeakPolarHBondContact O-CB 3.1Å; S1278-L1282 PolarHBondContact O-N 2.85Å; S1279-L1282 PolarHBondContact O-N 3.48Å; L1280-L1282 PolarHBondContact O-N 3Å; L1282-H1303 WeakPolarHBondContact CD1-O 3.48Å; L1282-N1304 HydrophobicContact CD1-CB 4.33Å; L1282-N1304 HydrophobicContact CD2-CB 4.41Å
1283	H	80.9	Confident	73.2	Confident	28 Å²	28	72.3 Å²	72.3	13%	0.13	39%	0.39	C	S	.	.	H	α-helix	trans	-77.9	-37.6	177	164.5	84	0	0	0	112.5	C1267 C1270 F1274 S1279 L1280 R1285 L1286 H1287	C1267-H1283 VanDerWaalsContact CB-CD2 3.46Å; C1267-H1283 WeakPolarHBondContact CB-CD2 3.44Å; C1267-H1283 VanDerWaalsContact CB-NE2 3.33Å; C1267-H1283 WeakPolarHBondContact CB-NE2 3.43Å; C1267-H1283 VanDerWaalsContact SG-CD2 3.51Å; C1267-H1283 PolarHBondContact SG-NE2 3.39Å; C1267-H1283 VanDerWaalsContact SG-NE2 3.44Å; C1270-H1283 PolarHBondContact SG-CE1 3.26Å; C1270-H1283 PolarHBondContact SG-NE2 2.98Å; F1274-H1283 HydrophobicContact CD1-CB 4.46Å; F1274-H1283 HydrophobicContact CE1-CB 3.73Å; F1274-H1283 AromaticContact CE1-CG 3.9Å; F1274-H1283 HydrophobicContact CE2-CB 3.96Å; F1274-H1283 AromaticContact CE2-CD2 3.24Å; F1274-H1283 WeakPolarHBondContact CE2-CD2 3.44Å; F1274-H1283 AromaticContact CE2-CG 3.54Å; F1274-H1283 AromaticContact CE2-NE2 3.66Å; F1274-H1283 HydrophobicContact CZ-CB 3.48Å; F1274-H1283 VanDerWaalsContact CZ-CB 3.48Å; F1274-H1283 AromaticContact CZ-CD2 3.36Å; F1274-H1283 WeakPolarHBondContact CZ-CD2 3.31Å; F1274-H1283 AromaticContact CZ-CE1 3.75Å; F1274-H1283 AromaticContact CZ-CG 3.13Å; F1274-H1283 AromaticContact CZ-ND1 3.42Å; F1274-H1283 WeakPolarHBondContact CZ-ND1 3.28Å; F1274-H1283 AromaticContact CZ-NE2 3.72Å; S1279-H1283 WeakPolarHBondContact O-CB 3.44Å; S1279-H1283 PolarHBondContact O-N 3.08Å; L1280-H1283 CarbonylContact O-C 3.57Å; L1280-H1283 WeakPolarHBondContact O-CA 3.27Å; L1280-H1283 PolarHBondContact O-N 3.23Å; H1283-R1285 PolarHBondContact O-N 2.85Å; H1283-L1286 WeakPolarHBondContact O-CA 3.47Å; H1283-L1286 WeakPolarHBondContact O-CB 3.32Å; H1283-L1286 WeakPolarHBondContact O-CG 3.39Å; H1283-L1286 PolarHBondContact O-N 3.04Å; H1283-H1287 AromaticContact CD2-NE2 3.81Å; H1283-H1287 AromaticContact CE1-NE2 3.34Å; H1283-H1287 PolarHBondContact CE1-NE2 3.45Å; H1283-H1287 VanDerWaalsContact CE1-NE2 3.34Å; H1283-H1287 AromaticContact NE2-CD2 3.7Å; H1283-H1287 AromaticContact NE2-NE2 2.99Å; H1283-H1287 PolarHBondContact NE2-NE2 3.38Å
1284	V	78.5	Confident	73.3	Confident	30 Å²	30	72.1 Å²	72.1	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-58.2	-33.1	173.4	171.6	0	0	0	0	111.3	L1280 L1286 H1287 T1288	L1280-V1284 HydrophobicContact CD1-CG2 3.85Å; L1280-V1284 HydrophobicContact CG-CG2 4.3Å; L1280-V1284 WeakPolarHBondContact O-CG2 3.47Å; L1280-V1284 PolarHBondContact O-N 3.36Å; V1284-L1286 PolarHBondContact O-N 3.46Å; V1284-H1287 PolarHBondContact O-N 3.03Å; V1284-T1288 HydrophobicContact CG1-CG2 3.97Å; V1284-T1288 PolarHBondContact O-N 3.34Å; V1284-T1288 PolarHBondContact O-OG1 3.22Å
1285	R	79.6	Confident	73.7	Confident	66 Å²	66	70 Å²	70	25%	0.249	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-12.2	171.6	-67.3	178.2	174.8	174.5	-2.8	115.2	R1281 H1283 T1290 Y1293 H1303	R1281-R1285 WeakPolarHBondContact O-CG 3.42Å; R1281-R1285 PolarHBondContact O-N 3.05Å; H1283-R1285 PolarHBondContact O-N 2.85Å; R1285-T1290 WeakPolarHBondContact CG-OG1 3.3Å; R1285-Y1293 PolarHBondContact NH1-OH 3.15Å; R1285-H1303 PolarHBondContact O-CE1 2.76Å; R1285-H1303 PolarHBondContact O-ND1 2.74Å
1286	L	73.7	Confident	74.1	Confident	108 Å²	108	69.5 Å²	69.5	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-82	-31.2	170.5	-55.4	175.1	0	0	0	111.2	H1283 V1284 H1303	H1283-L1286 WeakPolarHBondContact O-CA 3.47Å; H1283-L1286 WeakPolarHBondContact O-CB 3.32Å; H1283-L1286 WeakPolarHBondContact O-CG 3.39Å; H1283-L1286 PolarHBondContact O-N 3.04Å; V1284-L1286 PolarHBondContact O-N 3.46Å; L1286-H1303 HydrophobicContact CD2-CB 4.12Å
1287	H	75.8	Confident	74.3	Confident	77 Å²	77	71.7 Å²	71.7	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-83	-47.6	176.6	-60.6	-62.2	0	0	0	112.2	C1267 L1269 C1270 H1283 V1284 G1289	C1267-H1287 VanDerWaalsContact SG-CD2 3.53Å; L1269-H1287 HydrophobicContact CB-CB 4.3Å; L1269-H1287 HydrophobicContact CD1-CB 3.39Å; L1269-H1287 HydrophobicContact CG-CB 4.46Å; C1270-H1287 VanDerWaalsContact SG-CE1 3.53Å; C1270-H1287 PolarHBondContact SG-NE2 3.47Å; H1283-H1287 AromaticContact CD2-NE2 3.81Å; H1283-H1287 AromaticContact CE1-NE2 3.34Å; H1283-H1287 PolarHBondContact CE1-NE2 3.45Å; H1283-H1287 VanDerWaalsContact CE1-NE2 3.34Å; H1283-H1287 AromaticContact NE2-CD2 3.7Å; H1283-H1287 AromaticContact NE2-NE2 2.99Å; H1283-H1287 PolarHBondContact NE2-NE2 3.38Å; V1284-H1287 PolarHBondContact O-N 3.03Å; H1287-G1289 PolarHBondContact O-N 3.39Å; H1287-G1289 VanDerWaalsContact O-N 3.08Å
1288	T	69.9	Low	74.5	Confident	61 Å²	61	64.4 Å²	64.4	37%	0.374	35%	0.353	S	S	.	.	S	Bend	trans	-73.2	1.9	179.4	63.1	0	0	0	0	113.5	V1284 T1290	V1284-T1288 HydrophobicContact CG1-CG2 3.97Å; V1284-T1288 PolarHBondContact O-N 3.34Å; V1284-T1288 PolarHBondContact O-OG1 3.22Å; T1288-T1290 PolarHBondContact O-N 3.38Å; T1288-T1290 PolarHBondContact OG1-OG1 2.89Å
1289	G	64.5	Low	74.3	Confident	41 Å²	41	65.8 Å²	65.8	42%	0.423	35%	0.353	S	S	.	.			trans	63.9	-2.5	-178.4	0	0	0	0	0	115.4	H1287 R1291 H1303	H1287-G1289 PolarHBondContact O-N 3.39Å; H1287-G1289 VanDerWaalsContact O-N 3.08Å; G1289-R1291 WeakPolarHBondContact O-CG 3.4Å; G1289-R1291 PolarHBondContact O-N 3.12Å; G1289-R1291 VanDerWaalsContact O-N 3.11Å; G1289-H1303 PolarHBondContact O-CE1 3.1Å
1290	T	62.6	Low	74.2	Confident	56 Å²	56	63.7 Å²	63.7	34%	0.344	34%	0.338	S	S	.	.			trans	-64.6	109.6	-169.5	46.4	0	0	0	0	112.6	R1285 T1288 G1292 H1303	R1285-T1290 WeakPolarHBondContact CG-OG1 3.3Å; T1288-T1290 PolarHBondContact O-N 3.38Å; T1288-T1290 PolarHBondContact OG1-OG1 2.89Å; T1290-G1292 PolarHBondContact O-N 3.16Å; T1290-H1303 PolarHBondContact O-ND1 3.21Å; T1290-H1303 VanDerWaalsContact O-ND1 3.08Å
1291	R	56.9	Low	73.9	Confident	164 Å²	164	65.6 Å²	65.6	62%	0.619	35%	0.351	S	S	*	.			trans	-92.6	77.6	-179.5	-59	178.2	-177.5	153.2	1.3	110	G1289 Y1293 V1301	G1289-R1291 WeakPolarHBondContact O-CG 3.4Å; G1289-R1291 PolarHBondContact O-N 3.12Å; G1289-R1291 VanDerWaalsContact O-N 3.11Å; R1291-Y1293 PolarHBondContact O-N 2.76Å; R1291-V1301 HydrophobicContact CB-CB 3.79Å; R1291-V1301 HydrophobicContact CB-CG1 3.49Å; R1291-V1301 VanDerWaalsContact CB-CG1 3.49Å; R1291-V1301 WeakPolarHBondContact O-CG1 3.37Å
1292	G	64.3	Low	73.7	Confident	51 Å²	51	59.9 Å²	59.9	53%	0.526	33%	0.33	S	S	.	.			trans	-79.4	4.5	-171	0	0	0	0	0	117.9	T1290	T1290-G1292 PolarHBondContact O-N 3.16Å
1293	Y	74.3	Confident	73.4	Confident	63 Å²	63	59.8 Å²	59.8	25%	0.247	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	83.8	-172.5	-60.2	-65.9	0	0	0	113.2	R1285 R1291 F1302 P1305	R1285-Y1293 PolarHBondContact NH1-OH 3.15Å; R1291-Y1293 PolarHBondContact O-N 2.76Å; Y1293-F1302 VanDerWaalsContact CB-O 3.31Å; Y1293-F1302 WeakPolarHBondContact CB-O 3.34Å; Y1293-F1302 WeakPolarHBondContact CD2-O 3.45Å; Y1293-F1302 PolarHBondContact N-O 2.76Å; Y1293-F1302 WeakPolarHBondContact O-CD2 3.38Å; Y1293-F1302 PolarHBondContact O-N 2.71Å; Y1293-P1305 HydrophobicContact CD1-CB 4.17Å; Y1293-P1305 HydrophobicContact CD2-CB 4.29Å; Y1293-P1305 HydrophobicContact CE1-CB 3.93Å; Y1293-P1305 HydrophobicContact CE2-CB 4.05Å; Y1293-P1305 VanDerWaalsContact CE2-CD 3.45Å; Y1293-P1305 HydrophobicContact CE2-CG 4.07Å; Y1293-P1305 HydrophobicContact CG-CB 4.35Å
1294	G	73.9	Confident	73.3	Confident	33 Å²	33	60.4 Å²	60.4	34%	0.34	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	145	175	0	0	0	0	0	114.1	S1300 R1308	G1294-S1300 CarbonylContact C-O 3.15Å; G1294-S1300 WeakPolarHBondContact CA-O 3.32Å; G1294-R1308 VanDerWaalsContact O-CZ 3.3Å; G1294-R1308 PolarHBondContact O-NE 2.87Å; G1294-R1308 PolarHBondContact O-NH2 3.27Å; G1294-R1308 VanDerWaalsContact O-NH2 3.1Å
1295	C	81.7	Confident	73.2	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	34%	0.34	C	S	.	.			trans	-91.2	132.1	168.1	178.8	0	0	0	0	111.2	Y1297 C1298 N1299 S1300 H1311 L1312	C1295-Y1297 PolarHBondContact O-N 2.64Å; C1295-Y1297 PolarHBondContact SG-N 3.06Å; C1295-C1298 WeakPolarHBondContact CB-SG 3.23Å; C1295-C1298 VanDerWaalsContact SG-SG 3.64Å; C1295-N1299 VanDerWaalsContact O-CA 3.26Å; C1295-N1299 WeakPolarHBondContact O-CA 3.15Å; C1295-N1299 PolarHBondContact O-N 2.64Å; C1295-S1300 PolarHBondContact N-O 2.93Å; C1295-H1311 WeakPolarHBondContact CB-NE2 3.41Å; C1295-H1311 PolarHBondContact SG-NE2 2.65Å; C1295-L1312 VanDerWaalsContact SG-CD2 3.57Å
1296	P	74.3	Confident	73.1	Confident	87 Å²	87	61.8 Å²	61.8	57%	0.565	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.4	-179.2	29.6	-37.4	0	0	0	114.4
1297	Y	77.3	Confident	73.4	Confident	86 Å²	86	60.7 Å²	60.7	34%	0.337	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-53.2	-179.5	-60.9	-66.3	0	0	0	111.9	C1295 L1312 K1316 H1319 E1351	C1295-Y1297 PolarHBondContact O-N 2.64Å; C1295-Y1297 PolarHBondContact SG-N 3.06Å; Y1297-L1312 HydrophobicContact CD2-CD2 4.06Å; Y1297-L1312 HydrophobicContact CE2-CD2 3.98Å; Y1297-K1316 HydrophobicContact CE2-CG 3.78Å; Y1297-K1316 WeakPolarHBondContact OH-CE 3.29Å; Y1297-H1319 AromaticContact CD1-CD2 3.75Å; Y1297-H1319 AromaticContact CG-CD2 3.8Å; Y1297-E1351 WeakPolarHBondContact CB-OE1 3.31Å; Y1297-E1351 WeakPolarHBondContact CB-OE2 3.38Å
1298	C	80.8	Confident	73.8	Confident	24 Å²	24	61.5 Å²	61.5	16%	0.162	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-20	-175.2	29.7	0	0	0	0	116	C1295 S1300 H1311 E1351 E1352	C1295-C1298 WeakPolarHBondContact CB-SG 3.23Å; C1295-C1298 VanDerWaalsContact SG-SG 3.64Å; C1298-S1300 PolarHBondContact O-N 2.94Å; C1298-S1300 VanDerWaalsContact SG-CB 3.53Å; C1298-H1311 PolarHBondContact SG-CE1 3.2Å; C1298-H1311 PolarHBondContact SG-NE2 3.37Å; C1298-E1351 VanDerWaalsContact CA-OE2 3.3Å; C1298-E1351 WeakPolarHBondContact CA-OE2 3.47Å; C1298-E1351 HydrophobicContact CB-CB 3.77Å; C1298-E1351 HydrophobicContact CB-CG 3.5Å; C1298-E1351 VanDerWaalsContact CB-CG 3.5Å; C1298-E1351 WeakPolarHBondContact CB-OE1 3.26Å; C1298-E1351 WeakPolarHBondContact CB-OE2 3.2Å; C1298-E1351 PolarHBondContact N-OE1 2.81Å; C1298-E1351 PolarHBondContact N-OE2 3.15Å; C1298-E1351 VanDerWaalsContact N-OE2 3.09Å; C1298-E1351 VanDerWaalsContact SG-CD 3.58Å; C1298-E1351 PolarHBondContact SG-OE1 3.48Å; C1298-E1352 HydrophobicContact CB-CB 3.91Å
1299	N	72	Confident	74.2	Confident	122 Å²	122	64.6 Å²	64.6	65%	0.652	35%	0.352	S	S	*	.			trans	62.6	16	-159	-49.1	-66.9	0	0	0	114.7	C1295 V1301	C1295-N1299 VanDerWaalsContact O-CA 3.26Å; C1295-N1299 WeakPolarHBondContact O-CA 3.15Å; C1295-N1299 PolarHBondContact O-N 2.64Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.32Å; N1299-V1301 PolarHBondContact O-N 3.44Å
1300	S	76.1	Confident	74.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.345	C	S	.	.			trans	-60.7	132	166.7	-79.5	0	0	0	0	110.7	G1294 C1295 C1298 F1302 E1352 T1353	G1294-S1300 CarbonylContact C-O 3.15Å; G1294-S1300 WeakPolarHBondContact CA-O 3.32Å; C1295-S1300 PolarHBondContact N-O 2.93Å; C1298-S1300 PolarHBondContact O-N 2.94Å; C1298-S1300 VanDerWaalsContact SG-CB 3.53Å; S1300-F1302 WeakPolarHBondContact O-CE2 3.4Å; S1300-E1352 WeakPolarHBondContact CB-OE2 3.47Å; S1300-E1352 WeakPolarHBondContact OG-CB 3.26Å; S1300-E1352 PolarHBondContact OG-OE2 2.85Å; S1300-T1353 WeakPolarHBondContact OG-CG2 3.43Å; S1300-T1353 PolarHBondContact OG-OG1 3.05Å
1301	V	75.4	Confident	75.8	Confident	64 Å²	64	64 Å²	64	39%	0.388	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.1	-174.3	-144.9	0	0	0	0	111.6	R1291 N1299	R1291-V1301 HydrophobicContact CB-CB 3.79Å; R1291-V1301 HydrophobicContact CB-CG1 3.49Å; R1291-V1301 VanDerWaalsContact CB-CG1 3.49Å; R1291-V1301 WeakPolarHBondContact O-CG1 3.37Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.32Å; N1299-V1301 PolarHBondContact O-N 3.44Å
1302	F	76	Confident	77	Confident	41 Å²	41	58.2 Å²	58.2	18%	0.18	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.4	-173.3	-56.4	-85.7	0	0	0	111.6	Y1293 S1300 N1304 H1307 R1308 H1311	Y1293-F1302 VanDerWaalsContact CB-O 3.31Å; Y1293-F1302 WeakPolarHBondContact CB-O 3.34Å; Y1293-F1302 WeakPolarHBondContact CD2-O 3.45Å; Y1293-F1302 PolarHBondContact N-O 2.76Å; Y1293-F1302 WeakPolarHBondContact O-CD2 3.38Å; Y1293-F1302 PolarHBondContact O-N 2.71Å; S1300-F1302 WeakPolarHBondContact O-CE2 3.4Å; F1302-N1304 VanDerWaalsContact C-N 3.33Å; F1302-H1307 HydrophobicContact CB-CB 4.32Å; F1302-H1307 HydrophobicContact CD1-CB 4Å; F1302-H1307 HydrophobicContact CG-CB 4.35Å; F1302-R1308 HydrophobicContact CB-CB 4.5Å; F1302-R1308 HydrophobicContact CD2-CB 3.95Å; F1302-R1308 HydrophobicContact CD2-CG 4.41Å; F1302-R1308 HydrophobicContact CG-CB 4.45Å; F1302-H1311 HydrophobicContact CE1-CB 4.16Å; F1302-H1311 HydrophobicContact CE2-CB 3.97Å; F1302-H1311 AromaticContact CE2-CD2 3.51Å; F1302-H1311 AromaticContact CE2-CG 3.54Å; F1302-H1311 HydrophobicContact CZ-CB 3.56Å; F1302-H1311 AromaticContact CZ-CD2 3.77Å; F1302-H1311 AromaticContact CZ-CG 3.28Å; F1302-H1311 AromaticContact CZ-ND1 3.74Å
1303	H	73.6	Confident	77.7	Confident	52 Å²	52	60 Å²	60	24%	0.241	31%	0.309	C	S	.	.	S	Bend	trans	-79.6	-15.4	171.4	-57	-89	0	0	0	113	L1282 R1285 L1286 G1289 T1290	L1282-H1303 WeakPolarHBondContact CD1-O 3.48Å; R1285-H1303 PolarHBondContact O-CE1 2.76Å; R1285-H1303 PolarHBondContact O-ND1 2.74Å; L1286-H1303 HydrophobicContact CD2-CB 4.12Å; G1289-H1303 PolarHBondContact O-CE1 3.1Å; T1290-H1303 PolarHBondContact O-ND1 3.21Å; T1290-H1303 VanDerWaalsContact O-ND1 3.08Å
1304	N	77.4	Confident	77.9	Confident	41 Å²	41	61.4 Å²	61.4	22%	0.219	32%	0.317	C	S	.	.	S	Bend	trans	-126.3	127.9	-173.3	178.9	-33.6	0	0	0	111.5	L1282 F1302 S1306 H1307 R1308	L1282-N1304 HydrophobicContact CD1-CB 4.33Å; L1282-N1304 HydrophobicContact CD2-CB 4.41Å; F1302-N1304 VanDerWaalsContact C-N 3.33Å; N1304-S1306 VanDerWaalsContact C-N 3.33Å; N1304-S1306 PolarHBondContact O-N 3.35Å; N1304-S1306 WeakPolarHBondContact OD1-CA 3.47Å; N1304-S1306 VanDerWaalsContact OD1-CB 3.28Å; N1304-S1306 WeakPolarHBondContact OD1-CB 3.39Å; N1304-S1306 PolarHBondContact OD1-N 2.83Å; N1304-H1307 HydrophobicContact CB-CB 4.21Å; N1304-H1307 WeakPolarHBondContact O-CA 3.32Å; N1304-H1307 WeakPolarHBondContact O-CB 3.48Å; N1304-H1307 PolarHBondContact O-N 3.33Å; N1304-H1307 PolarHBondContact OD1-N 3.36Å; N1304-R1308 PolarHBondContact O-N 2.97Å; N1304-R1308 VanDerWaalsContact O-N 3.16Å
1305	P	78.1	Confident	78.3	Confident	54 Å²	54	59.9 Å²	59.9	35%	0.351	30%	0.301	S	S	.	.	H	α-helix	trans	-69.8	-29.7	-175.5	28.6	-32.5	0	0	0	112.4	Y1293 H1307 R1308 K1309	Y1293-P1305 HydrophobicContact CD1-CB 4.17Å; Y1293-P1305 HydrophobicContact CD2-CB 4.29Å; Y1293-P1305 HydrophobicContact CE1-CB 3.93Å; Y1293-P1305 HydrophobicContact CE2-CB 4.05Å; Y1293-P1305 VanDerWaalsContact CE2-CD 3.45Å; Y1293-P1305 HydrophobicContact CE2-CG 4.07Å; Y1293-P1305 HydrophobicContact CG-CB 4.35Å; P1305-H1307 PolarHBondContact O-N 2.99Å; P1305-R1308 PolarHBondContact O-N 2.73Å; P1305-K1309 WeakPolarHBondContact O-CB 3.07Å; P1305-K1309 PolarHBondContact O-N 2.88Å
1306	S	75.8	Confident	78	Confident	72 Å²	72	64.7 Å²	64.7	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-70.5	-13.3	171	-61.5	0	0	0	0	112.9	N1304 R1310	N1304-S1306 VanDerWaalsContact C-N 3.33Å; N1304-S1306 PolarHBondContact O-N 3.35Å; N1304-S1306 WeakPolarHBondContact OD1-CA 3.47Å; N1304-S1306 VanDerWaalsContact OD1-CB 3.28Å; N1304-S1306 WeakPolarHBondContact OD1-CB 3.39Å; N1304-S1306 PolarHBondContact OD1-N 2.83Å; S1306-R1310 WeakPolarHBondContact O-CB 3.06Å
1307	H	80.4	Confident	77.9	Confident	84 Å²	84	63.4 Å²	63.4	39%	0.389	32%	0.318	S	S	.	.	H	α-helix	trans	-83.8	-48.7	167.2	-74.2	-163.1	0	0	0	110.5	F1302 N1304 P1305 K1309 R1310 H1311	F1302-H1307 HydrophobicContact CB-CB 4.32Å; F1302-H1307 HydrophobicContact CD1-CB 4Å; F1302-H1307 HydrophobicContact CG-CB 4.35Å; N1304-H1307 HydrophobicContact CB-CB 4.21Å; N1304-H1307 WeakPolarHBondContact O-CA 3.32Å; N1304-H1307 WeakPolarHBondContact O-CB 3.48Å; N1304-H1307 PolarHBondContact O-N 3.33Å; N1304-H1307 PolarHBondContact OD1-N 3.36Å; P1305-H1307 PolarHBondContact O-N 2.99Å; H1307-K1309 PolarHBondContact O-N 3.15Å; H1307-R1310 PolarHBondContact CD2-NH1 2.84Å; H1307-R1310 PolarHBondContact NE2-NH1 3.28Å; H1307-R1310 VanDerWaalsContact NE2-NH1 3.15Å; H1307-R1310 PolarHBondContact O-N 3.14Å; H1307-H1311 WeakPolarHBondContact O-CB 3.5Å; H1307-H1311 PolarHBondContact O-N 2.31Å
1308	R	84	Confident	77.5	Confident	94 Å²	94	62 Å²	62	36%	0.355	31%	0.312	S	S	.	.	H	α-helix	trans	-50.5	-51.5	170.1	-176.2	-170	-176.9	-145	16	111.6	G1294 F1302 N1304 P1305 R1310 H1311 L1312	G1294-R1308 VanDerWaalsContact O-CZ 3.3Å; G1294-R1308 PolarHBondContact O-NE 2.87Å; G1294-R1308 PolarHBondContact O-NH2 3.27Å; G1294-R1308 VanDerWaalsContact O-NH2 3.1Å; F1302-R1308 HydrophobicContact CB-CB 4.5Å; F1302-R1308 HydrophobicContact CD2-CB 3.95Å; F1302-R1308 HydrophobicContact CD2-CG 4.41Å; F1302-R1308 HydrophobicContact CG-CB 4.45Å; N1304-R1308 PolarHBondContact O-N 2.97Å; N1304-R1308 VanDerWaalsContact O-N 3.16Å; P1305-R1308 PolarHBondContact O-N 2.73Å; R1308-R1310 PolarHBondContact O-N 2.76Å; R1308-H1311 CarbonylContact O-C 3.19Å; R1308-H1311 PolarHBondContact O-N 2.93Å; R1308-H1311 VanDerWaalsContact O-N 3.14Å; R1308-L1312 HydrophobicContact CG-CD1 3.88Å; R1308-L1312 HydrophobicContact CG-CG 4.25Å; R1308-L1312 WeakPolarHBondContact O-CB 3.32Å; R1308-L1312 WeakPolarHBondContact O-CG 3.01Å; R1308-L1312 PolarHBondContact O-N 3.12Å
1309	K	79.3	Confident	76.8	Confident	126 Å²	126	62.5 Å²	62.5	55%	0.548	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-37.1	-178.2	-164.9	165.9	-171.1	164.6	0	113.6	P1305 H1307 L1313	P1305-K1309 WeakPolarHBondContact O-CB 3.07Å; P1305-K1309 PolarHBondContact O-N 2.88Å; H1307-K1309 PolarHBondContact O-N 3.15Å; K1309-L1313 WeakPolarHBondContact O-CG 3.22Å; K1309-L1313 PolarHBondContact O-N 2.88Å
1310	R	79.2	Confident	76.2	Confident	74 Å²	74	60.2 Å²	60.2	28%	0.279	30%	0.298	S	S	.	.	H	α-helix	trans	-76	-30.5	176.4	-166.6	-168.4	-56.4	119.5	0.7	112.7	S1306 H1307 R1308	S1306-R1310 WeakPolarHBondContact O-CB 3.06Å; H1307-R1310 PolarHBondContact CD2-NH1 2.84Å; H1307-R1310 PolarHBondContact NE2-NH1 3.28Å; H1307-R1310 VanDerWaalsContact NE2-NH1 3.15Å; H1307-R1310 PolarHBondContact O-N 3.14Å; R1308-R1310 PolarHBondContact O-N 2.76Å
1311	H	82.1	Confident	74.8	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.046	32%	0.319	C	S	.	.	H	α-helix	trans	-73.3	-44.9	173.7	151.6	78.8	0	0	0	110.5	C1295 C1298 F1302 H1307 R1308 L1313 K1314 C1315 E1351 E1352	C1295-H1311 WeakPolarHBondContact CB-NE2 3.41Å; C1295-H1311 PolarHBondContact SG-NE2 2.65Å; C1298-H1311 PolarHBondContact SG-CE1 3.2Å; C1298-H1311 PolarHBondContact SG-NE2 3.37Å; F1302-H1311 HydrophobicContact CE1-CB 4.16Å; F1302-H1311 HydrophobicContact CE2-CB 3.97Å; F1302-H1311 AromaticContact CE2-CD2 3.51Å; F1302-H1311 AromaticContact CE2-CG 3.54Å; F1302-H1311 HydrophobicContact CZ-CB 3.56Å; F1302-H1311 AromaticContact CZ-CD2 3.77Å; F1302-H1311 AromaticContact CZ-CG 3.28Å; F1302-H1311 AromaticContact CZ-ND1 3.74Å; H1307-H1311 WeakPolarHBondContact O-CB 3.5Å; H1307-H1311 PolarHBondContact O-N 2.31Å; R1308-H1311 CarbonylContact O-C 3.19Å; R1308-H1311 PolarHBondContact O-N 2.93Å; R1308-H1311 VanDerWaalsContact O-N 3.14Å; H1311-L1313 VanDerWaalsContact C-N 3.27Å; H1311-L1313 PolarHBondContact O-N 2.81Å; H1311-K1314 CarbonylContact O-C 3.58Å; H1311-K1314 WeakPolarHBondContact O-CA 3.3Å; H1311-K1314 WeakPolarHBondContact O-CB 3.43Å; H1311-K1314 PolarHBondContact O-N 2.99Å; H1311-C1315 PolarHBondContact CE1-SG 3.43Å; H1311-C1315 PolarHBondContact O-N 3.2Å; H1311-E1351 IonicContact CE1-OE1 2.64Å; H1311-E1352 IonicContact CE1-OE1 3.55Å; H1311-E1352 IonicContact CE1-OE2 3.51Å; H1311-E1352 PolarHBondContact CE1-OE2 3.35Å; H1311-E1352 IonicContact ND1-OE1 2.96Å; H1311-E1352 PolarHBondContact ND1-OE1 3.18Å; H1311-E1352 IonicContact ND1-OE2 3.71Å; H1311-E1352 PolarHBondContact ND1-OE2 2.78Å
1312	L	81.3	Confident	73.2	Confident	43 Å²	43	60.9 Å²	60.9	23%	0.225	30%	0.304	C	S	.	.	H	α-helix	trans	-53.2	-42.7	173.2	-79.7	167.4	0	0	0	111.9	C1295 Y1297 R1308 K1314 C1315 K1316	C1295-L1312 VanDerWaalsContact SG-CD2 3.57Å; Y1297-L1312 HydrophobicContact CD2-CD2 4.06Å; Y1297-L1312 HydrophobicContact CE2-CD2 3.98Å; R1308-L1312 HydrophobicContact CG-CD1 3.88Å; R1308-L1312 HydrophobicContact CG-CG 4.25Å; R1308-L1312 WeakPolarHBondContact O-CB 3.32Å; R1308-L1312 WeakPolarHBondContact O-CG 3.01Å; R1308-L1312 PolarHBondContact O-N 3.12Å; L1312-K1314 PolarHBondContact O-N 3.2Å; L1312-C1315 PolarHBondContact O-N 3.42Å; L1312-K1316 PolarHBondContact O-N 3.43Å
1313	L	79.3	Confident	71.6	Confident	88 Å²	88	62.4 Å²	62.4	46%	0.461	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-26.1	174.4	-82.1	164.4	0	0	0	113.8	K1309 H1311 R1597	K1309-L1313 WeakPolarHBondContact O-CG 3.22Å; K1309-L1313 PolarHBondContact O-N 2.88Å; H1311-L1313 VanDerWaalsContact C-N 3.27Å; H1311-L1313 PolarHBondContact O-N 2.81Å; L1313-R1597 HydrophobicContact CD1-CB 4.1Å
1314	K	78.3	Confident	70	Confident	94 Å²	94	66.1 Å²	66.1	41%	0.409	33%	0.332	S	S	.	.	H	α-helix	trans	-81.7	-44.7	170.6	-68.3	-178.5	172.8	-172.4	0	111.6	H1311 L1312 A1317 R1318 T1609	H1311-K1314 CarbonylContact O-C 3.58Å; H1311-K1314 WeakPolarHBondContact O-CA 3.3Å; H1311-K1314 WeakPolarHBondContact O-CB 3.43Å; H1311-K1314 PolarHBondContact O-N 2.99Å; L1312-K1314 PolarHBondContact O-N 3.2Å; K1314-A1317 CarbonylContact O-C 3.55Å; K1314-A1317 WeakPolarHBondContact O-CA 3.44Å; K1314-A1317 WeakPolarHBondContact O-CB 3.27Å; K1314-A1317 PolarHBondContact O-N 2.78Å; K1314-R1318 WeakPolarHBondContact O-CG 3.4Å; K1314-R1318 PolarHBondContact O-N 3.49Å; K1314-R1318 VanDerWaalsContact O-N 3.14Å; K1314-T1609 VanDerWaalsContact CE-OG1 3.25Å; K1314-T1609 WeakPolarHBondContact CE-OG1 3.36Å; K1314-T1609 HydrophobicContact CG-CG2 4.1Å
1315	C	81.9	Confident	68	Low	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-80.5	-26.2	-171.4	-73.3	0	0	0	0	114.9	H1311 L1312 A1317 R1318 H1319 E1351	H1311-C1315 PolarHBondContact CE1-SG 3.43Å; H1311-C1315 PolarHBondContact O-N 3.2Å; L1312-C1315 PolarHBondContact O-N 3.42Å; C1315-A1317 VanDerWaalsContact C-N 3.32Å; C1315-R1318 WeakPolarHBondContact O-CB 3.34Å; C1315-R1318 PolarHBondContact O-N 3.35Å; C1315-H1319 PolarHBondContact O-CD2 2.78Å; C1315-H1319 PolarHBondContact O-N 3.13Å; C1315-E1351 HydrophobicContact CB-CG 4.44Å; C1315-E1351 WeakPolarHBondContact CB-OE1 3.3Å; C1315-E1351 VanDerWaalsContact SG-CG 3.54Å; C1315-E1351 PolarHBondContact SG-OE1 3.31Å
1316	K	75.1	Confident	65.9	Low	102 Å²	102	71.7 Å²	71.7	44%	0.443	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-47.4	160.6	-85.9	-158.7	166.1	-168.6	0	110.7	Y1297 L1312 R1318 H1319 Q1320	Y1297-K1316 HydrophobicContact CE2-CG 3.78Å; Y1297-K1316 WeakPolarHBondContact OH-CE 3.29Å; L1312-K1316 PolarHBondContact O-N 3.43Å; K1316-R1318 PolarHBondContact O-N 3Å; K1316-H1319 PolarHBondContact O-N 3.43Å; K1316-Q1320 WeakPolarHBondContact O-CB 3.26Å; K1316-Q1320 WeakPolarHBondContact O-CG 3.36Å; K1316-Q1320 PolarHBondContact O-N 3.3Å; K1316-Q1320 PolarHBondContact O-OE1 3.28Å
1317	A	73.4	Confident	63.9	Low	60 Å²	60	73.1 Å²	73.1	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-68.8	3.4	174.4	0	0	0	0	0	115.2	K1314 C1315	K1314-A1317 CarbonylContact O-C 3.55Å; K1314-A1317 WeakPolarHBondContact O-CA 3.44Å; K1314-A1317 WeakPolarHBondContact O-CB 3.27Å; K1314-A1317 PolarHBondContact O-N 2.78Å; C1315-A1317 VanDerWaalsContact C-N 3.32Å
1318	R	68	Low	61.6	Low	56 Å²	56	72.7 Å²	72.7	21%	0.211	38%	0.383	C	S	.	.	H	α-helix	trans	-104.3	-51.3	169.4	-72.7	168.6	148.4	-172.5	-11.6	110.7	K1314 C1315 K1316 S1321 N1322 P1349 E1350	K1314-R1318 WeakPolarHBondContact O-CG 3.4Å; K1314-R1318 PolarHBondContact O-N 3.49Å; K1314-R1318 VanDerWaalsContact O-N 3.14Å; C1315-R1318 WeakPolarHBondContact O-CB 3.34Å; C1315-R1318 PolarHBondContact O-N 3.35Å; K1316-R1318 PolarHBondContact O-N 3Å; R1318-S1321 PolarHBondContact O-N 2.68Å; R1318-S1321 PolarHBondContact O-OG 3.38Å; R1318-N1322 PolarHBondContact O-ND2 3.23Å; R1318-P1349 HydrophobicContact CB-CB 4.11Å; R1318-P1349 HydrophobicContact CB-CG 4.16Å; R1318-P1349 VanDerWaalsContact O-CB 3.29Å; R1318-P1349 WeakPolarHBondContact O-CB 3.49Å; R1318-P1349 WeakPolarHBondContact O-CG 3.33Å; R1318-E1350 WeakPolarHBondContact CG-OE2 3.37Å; R1318-E1350 IonicContact CZ-OE1 2.77Å; R1318-E1350 IonicContact CZ-OE2 3.88Å; R1318-E1350 VanDerWaalsContact NE-CD 3.28Å; R1318-E1350 IonicContact NE-OE1 2.73Å; R1318-E1350 IonicContact NE-OE2 2.96Å; R1318-E1350 PolarHBondContact NE-OE2 2.95Å; R1318-E1350 IonicContact NH2-OE1 3.22Å; R1318-E1350 PolarHBondContact NH2-OE1 2.91Å; R1318-E1350 IonicContact NH2-OE2 2.65Å; R1318-E1350 PolarHBondContact NH2-OE2 3.06Å
1319	H	66.6	Low	59	Low	35 Å²	35	75.9 Å²	75.9	16%	0.162	41%	0.408	C	S	.	.	H	α-helix	trans	-68.9	-38.6	180	-72.8	-67.1	0	0	0	113	Y1297 C1315 K1316 S1321 N1322 D1323 P1349 E1351	Y1297-H1319 AromaticContact CD1-CD2 3.75Å; Y1297-H1319 AromaticContact CG-CD2 3.8Å; C1315-H1319 PolarHBondContact O-CD2 2.78Å; C1315-H1319 PolarHBondContact O-N 3.13Å; K1316-H1319 PolarHBondContact O-N 3.43Å; H1319-S1321 PolarHBondContact O-N 2.89Å; H1319-N1322 PolarHBondContact O-N 2.88Å; H1319-N1322 PolarHBondContact O-ND2 2.86Å; H1319-D1323 VanDerWaalsContact O-CG 3.29Å; H1319-D1323 PolarHBondContact O-N 3.03Å; H1319-D1323 VanDerWaalsContact O-N 3.12Å; H1319-P1349 VanDerWaalsContact CE1-CG 3.45Å; H1319-P1349 WeakPolarHBondContact CE1-CG 3.35Å; H1319-P1349 WeakPolarHBondContact ND1-CD 3.48Å; H1319-P1349 WeakPolarHBondContact ND1-CG 3.29Å; H1319-E1351 IonicContact CD2-OE2 2.68Å; H1319-E1351 IonicContact CE1-OE2 3.17Å; H1319-E1351 IonicContact NE2-OE1 2.7Å; H1319-E1351 IonicContact NE2-OE2 3.76Å; H1319-E1351 PolarHBondContact NE2-OE2 3.38Å
1320	Q	58.8	Low	56.6	Low	75 Å²	75	79.9 Å²	79.9	35%	0.35	43%	0.425	S	S	.	.	H	α-helix	trans	-64.8	-10.4	177.4	-65.9	179.4	-56.2	0	0	114.1	K1316 N1322 D1323	K1316-Q1320 WeakPolarHBondContact O-CB 3.26Å; K1316-Q1320 WeakPolarHBondContact O-CG 3.36Å; K1316-Q1320 PolarHBondContact O-N 3.3Å; K1316-Q1320 PolarHBondContact O-OE1 3.28Å; Q1320-N1322 PolarHBondContact O-N 3.45Å; Q1320-D1323 WeakPolarHBondContact CA-OD2 3.19Å; Q1320-D1323 PolarHBondContact N-OD2 3.1Å
1321	S	46.5	Very low	54.2	Low	64 Å²	64	81.9 Å²	81.9	45%	0.448	45%	0.451	S	S	.	.	H	α-helix	trans	-77.8	1.8	169.4	74.7	0	0	0	0	114	R1318 H1319	R1318-S1321 PolarHBondContact O-N 2.68Å; R1318-S1321 PolarHBondContact O-OG 3.38Å; H1319-S1321 PolarHBondContact O-N 2.89Å
1322	N	41.8	Very low	51.7	Low	13 Å²	13	85.9 Å²	85.9	7%	0.07	48%	0.48	C	S	.	.	H	α-helix	trans	-139.2	-32.3	-169.5	-30.2	-71.3	0	0	0	111.7	R1318 H1319 Q1320 E1324 L1325 T1326 H1348 P1349	R1318-N1322 PolarHBondContact O-ND2 3.23Å; H1319-N1322 PolarHBondContact O-N 2.88Å; H1319-N1322 PolarHBondContact O-ND2 2.86Å; Q1320-N1322 PolarHBondContact O-N 3.45Å; N1322-E1324 PolarHBondContact O-N 2.98Å; N1322-L1325 WeakPolarHBondContact O-CA 3.3Å; N1322-L1325 WeakPolarHBondContact O-CB 3.27Å; N1322-L1325 PolarHBondContact O-N 2.96Å; N1322-T1326 PolarHBondContact O-N 3.2Å; N1322-T1326 PolarHBondContact O-OG1 3.44Å; N1322-H1348 WeakPolarHBondContact OD1-CA 3.38Å; N1322-H1348 WeakPolarHBondContact OD1-CB 3.4Å; N1322-H1348 PolarHBondContact OD1-N 3.39Å; N1322-P1349 WeakPolarHBondContact ND2-CB 3.38Å; N1322-P1349 WeakPolarHBondContact ND2-CD 3.31Å; N1322-P1349 WeakPolarHBondContact ND2-CG 3.17Å
1323	D	42.4	Very low	49.3	Very low	74 Å²	74	89.9 Å²	89.9	40%	0.396	51%	0.506	S	S	.	.	H	α-helix	trans	-58.1	-33.6	169.7	-49.9	-34	0	0	0	110.8	H1319 Q1320 L1325 T1326 S1327	H1319-D1323 VanDerWaalsContact O-CG 3.29Å; H1319-D1323 PolarHBondContact O-N 3.03Å; H1319-D1323 VanDerWaalsContact O-N 3.12Å; Q1320-D1323 WeakPolarHBondContact CA-OD2 3.19Å; Q1320-D1323 PolarHBondContact N-OD2 3.1Å; D1323-L1325 VanDerWaalsContact C-N 3.26Å; D1323-L1325 PolarHBondContact O-N 3.1Å; D1323-T1326 PolarHBondContact O-N 3.26Å; D1323-T1326 PolarHBondContact O-OG1 3.25Å; D1323-S1327 WeakPolarHBondContact O-CB 3.49Å; D1323-S1327 PolarHBondContact O-N 2.88Å; D1323-S1327 PolarHBondContact O-OG 3.38Å
1324	E	39.3	Very low	47	Very low	129 Å²	129	92.2 Å²	92.2	60%	0.603	52%	0.518	S	S	*	.	H	α-helix	trans	-76.5	-0.9	171.6	-67.3	-179.6	-177.6	0	0	114	N1322	N1322-E1324 PolarHBondContact O-N 2.98Å
1325	L	35.9	Very low	44.8	Very low	96 Å²	96	93.7 Å²	93.7	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-109	-6.8	171.9	-97.2	84.2	0	0	0	113.8	N1322 D1323	N1322-L1325 WeakPolarHBondContact O-CA 3.3Å; N1322-L1325 WeakPolarHBondContact O-CB 3.27Å; N1322-L1325 PolarHBondContact O-N 2.96Å; D1323-L1325 VanDerWaalsContact C-N 3.26Å; D1323-L1325 PolarHBondContact O-N 3.1Å
1326	T	33.7	Very low	42.3	Very low	117 Å²	117	99.3 Å²	99.3	72%	0.718	56%	0.56	S	S	*	*	H	α-helix	trans	-116.1	-13.9	-179.7	52.3	0	0	0	0	114.1	N1322 D1323	N1322-T1326 PolarHBondContact O-N 3.2Å; N1322-T1326 PolarHBondContact O-OG1 3.44Å; D1323-T1326 PolarHBondContact O-N 3.26Å; D1323-T1326 PolarHBondContact O-OG1 3.25Å
1327	S	35.1	Very low	40	Very low	102 Å²	102	100.7 Å²	100.7	71%	0.713	57%	0.573	S	S	*	*	S	Bend	trans	-100.1	2.8	-174.7	-45.8	0	0	0	0	114.5	D1323	D1323-S1327 WeakPolarHBondContact O-CB 3.49Å; D1323-S1327 PolarHBondContact O-N 2.88Å; D1323-S1327 PolarHBondContact O-OG 3.38Å
1328	A	31.8	Very low	37.8	Very low	74 Å²	74	105.4 Å²	105.4	61%	0.612	59%	0.588	S	S	*	*	S	Bend	trans	-152.8	71.8	-175.6	0	0	0	0	0	112.4
1329	N	29.5	Very low	35.8	Very low	162 Å²	162	111.7 Å²	111.7	87%	0.866	62%	0.617	S	S	*	*	S	Bend	trans	175.2	62.9	151.8	-92.8	-32.7	0	0	0	111.5
1330	F	28.5	Very low	33.8	Very low	210 Å²	210	114.8 Å²	114.8	92%	0.921	64%	0.643	S	S	*	*			trans	-156.8	79.5	158.9	-116.5	-69.5	0	0	0	111.3
1331	S	29.1	Very low	32.3	Very low	116 Å²	116	118.7 Å²	118.7	81%	0.811	66%	0.661	S	S	*	*			trans	177	120.7	151.4	-78	0	0	0	0	107.5
1332	S	30	Very low	31.3	Very low	94 Å²	94	122.4 Å²	122.4	66%	0.657	68%	0.676	S	S	*	*			cis	-169.4	140.5	-13.2	28.3	0	0	0	0	109
1333	T	31	Very low	30.7	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	71%	0.709	S	S	*	*			trans	57.3	153.6	151.6	56.6	0	0	0	0	119.1
1334	L	30.4	Very low	30	Very low	138 Å²	138	133.2 Å²	133.2	72%	0.723	73%	0.734	S	S	*	*			cis	-140.3	156.5	-18.2	-134.1	62.1	0	0	0	103.5
1335	D	31.1	Very low	29.4	Very low	124 Å²	124	132.5 Å²	132.5	66%	0.663	73%	0.734	S	S	*	*				-164.2	140.2	61.5	-118.7	-33.6	0	0	0	114.8
1336	N	29.9	Very low	28.9	Very low	118 Å²	118	135 Å²	135	63%	0.631	75%	0.747	S	S	*	*			trans	42.4	116.2	142.9	-78.7	-53.7	0	0	0	124
1337	N	26.8	Very low	28.7	Very low	132 Å²	132	133.5 Å²	133.5	71%	0.706	73%	0.734	S	S	*	*				73.4	100.5	128.2	-62.3	-28.9	0	0	0	122
1338	I	26.7	Very low	28.3	Very low	158 Å²	158	134 Å²	134	81%	0.81	73%	0.725	S	S	*	*				174.5	119.6	103.2	-90.8	156.7	0	0	0	113.8
1339	F	26.7	Very low	28.3	Very low	188 Å²	188	132.3 Å²	132.3	83%	0.825	71%	0.708	S	S	*	*			trans	54.9	110	151.7	-81.5	-107.7	0	0	0	123.2
1340	S	24.4	Very low	28.1	Very low	101 Å²	101	129.4 Å²	129.4	71%	0.706	69%	0.689	S	S	*	*				107.1	141.2	129.2	-50.8	0	0	0	0	121.6
1341	H	27.4	Very low	28	Very low	157 Å²	157	122 Å²	122	73%	0.727	66%	0.657	S	S	*	*			trans	77.4	105.2	157.7	-88.4	-72.8	0	0	0	121.5
1342	D	24.9	Very low	28	Very low	142 Å²	142	120.6 Å²	120.6	76%	0.759	64%	0.638	S	S	*	*			trans	54	74.3	130.1	-56.9	-14.1	0	0	0	120.2
1343	V	30.4	Very low	27.8	Very low	126 Å²	126	120.3 Å²	120.3	76%	0.764	63%	0.632	S	S	*	*			trans	-124.2	88.1	156	-172.1	0	0	0	0	110.9	N1345	V1343-N1345 HydrophobicContact CG1-CB 4.32Å; V1343-N1345 PolarHBondContact O-N 3.13Å
1344	M	26.4	Very low	27.7	Very low	187 Å²	187	119.7 Å²	119.7	92%	0.921	62%	0.623	S	S	*	*			trans	-78.5	102.8	162.7	-84	-170.1	169	0	0	109.4	I1346	M1344-I1346 PolarHBondContact O-N 2.79Å
1345	N	28.2	Very low	27.4	Very low	114 Å²	114	119 Å²	119	61%	0.61	63%	0.628	S	S	*	*			trans	-100.9	70.1	179.9	-148.4	23.2	0	0	0	112	V1343	V1343-N1345 HydrophobicContact CG1-CB 4.32Å; V1343-N1345 PolarHBondContact O-N 3.13Å
1346	I	25.7	Very low	27.2	Very low	150 Å²	150	120.6 Å²	120.6	77%	0.769	63%	0.632	S	S	*	*			trans	-125.8	97.3	168.4	-55.1	178.5	0	0	0	109.5	M1344	M1344-I1346 PolarHBondContact O-N 2.79Å
1347	N	29.4	Very low	27.2	Very low	85 Å²	85	118.5 Å²	118.5	46%	0.455	63%	0.631	S	S	.	*			trans	-146.8	147.1	158.1	-63.3	-88.1	0	0	0	104.6
1348	H	27.2	Very low	27.4	Very low	111 Å²	111	117.2 Å²	117.2	51%	0.514	62%	0.624	S	S	.	*			cis	-152	-155.2	9.2	-125.3	-30.3	0	0	0	104.9	N1322	N1322-H1348 WeakPolarHBondContact OD1-CA 3.38Å; N1322-H1348 WeakPolarHBondContact OD1-CB 3.4Å; N1322-H1348 PolarHBondContact OD1-N 3.39Å
1349	P	30.4	Very low	27.6	Very low	39 Å²	39	115.4 Å²	115.4	25%	0.253	61%	0.611	S	S	.	*			cis	-133.4	-166.4	3	48.4	-34.4	0	0	0	115.4	R1318 H1319 N1322	R1318-P1349 HydrophobicContact CB-CB 4.11Å; R1318-P1349 HydrophobicContact CB-CG 4.16Å; R1318-P1349 VanDerWaalsContact O-CB 3.29Å; R1318-P1349 WeakPolarHBondContact O-CB 3.49Å; R1318-P1349 WeakPolarHBondContact O-CG 3.33Å; H1319-P1349 VanDerWaalsContact CE1-CG 3.45Å; H1319-P1349 WeakPolarHBondContact CE1-CG 3.35Å; H1319-P1349 WeakPolarHBondContact ND1-CD 3.48Å; H1319-P1349 WeakPolarHBondContact ND1-CG 3.29Å; N1322-P1349 WeakPolarHBondContact ND2-CB 3.38Å; N1322-P1349 WeakPolarHBondContact ND2-CD 3.31Å; N1322-P1349 WeakPolarHBondContact ND2-CG 3.17Å
1350	E	25.1	Very low	27.4	Very low	101 Å²	101	114.6 Å²	114.6	47%	0.472	61%	0.611	S	S	.	*			trans	-64.5	134.5	173.8	-39	167.3	81.3	0	0	115.1	R1318	R1318-E1350 WeakPolarHBondContact CG-OE2 3.37Å; R1318-E1350 IonicContact CZ-OE1 2.77Å; R1318-E1350 IonicContact CZ-OE2 3.88Å; R1318-E1350 VanDerWaalsContact NE-CD 3.28Å; R1318-E1350 IonicContact NE-OE1 2.73Å; R1318-E1350 IonicContact NE-OE2 2.96Å; R1318-E1350 PolarHBondContact NE-OE2 2.95Å; R1318-E1350 IonicContact NH2-OE1 3.22Å; R1318-E1350 PolarHBondContact NH2-OE1 2.91Å; R1318-E1350 IonicContact NH2-OE2 2.65Å; R1318-E1350 PolarHBondContact NH2-OE2 3.06Å
1351	E	27.7	Very low	27.4	Very low	54 Å²	54	116.2 Å²	116.2	25%	0.252	62%	0.621	S	S	.	*			trans	-164.2	119.7	151.7	-107.5	171	161.3	0	0	108.9	Y1297 C1298 H1311 C1315 H1319	Y1297-E1351 WeakPolarHBondContact CB-OE1 3.31Å; Y1297-E1351 WeakPolarHBondContact CB-OE2 3.38Å; C1298-E1351 VanDerWaalsContact CA-OE2 3.3Å; C1298-E1351 WeakPolarHBondContact CA-OE2 3.47Å; C1298-E1351 HydrophobicContact CB-CB 3.77Å; C1298-E1351 HydrophobicContact CB-CG 3.5Å; C1298-E1351 VanDerWaalsContact CB-CG 3.5Å; C1298-E1351 WeakPolarHBondContact CB-OE1 3.26Å; C1298-E1351 WeakPolarHBondContact CB-OE2 3.2Å; C1298-E1351 PolarHBondContact N-OE1 2.81Å; C1298-E1351 PolarHBondContact N-OE2 3.15Å; C1298-E1351 VanDerWaalsContact N-OE2 3.09Å; C1298-E1351 VanDerWaalsContact SG-CD 3.58Å; C1298-E1351 PolarHBondContact SG-OE1 3.48Å; H1311-E1351 IonicContact CE1-OE1 2.64Å; C1315-E1351 HydrophobicContact CB-CG 4.44Å; C1315-E1351 WeakPolarHBondContact CB-OE1 3.3Å; C1315-E1351 VanDerWaalsContact SG-CG 3.54Å; C1315-E1351 PolarHBondContact SG-OE1 3.31Å; H1319-E1351 IonicContact CD2-OE2 2.68Å; H1319-E1351 IonicContact CE1-OE2 3.17Å; H1319-E1351 IonicContact NE2-OE1 2.7Å; H1319-E1351 IonicContact NE2-OE2 3.76Å; H1319-E1351 PolarHBondContact NE2-OE2 3.38Å
1352	E	27.5	Very low	27.3	Very low	88 Å²	88	119.9 Å²	119.9	41%	0.411	63%	0.629	S	S	.	*				96.1	-166.3	85	-78.2	-144.3	167.3	0	0	113.5	C1298 S1300 H1311 I1354	C1298-E1352 HydrophobicContact CB-CB 3.91Å; S1300-E1352 WeakPolarHBondContact CB-OE2 3.47Å; S1300-E1352 WeakPolarHBondContact OG-CB 3.26Å; S1300-E1352 PolarHBondContact OG-OE2 2.85Å; H1311-E1352 IonicContact CE1-OE1 3.55Å; H1311-E1352 IonicContact CE1-OE2 3.51Å; H1311-E1352 PolarHBondContact CE1-OE2 3.35Å; H1311-E1352 IonicContact ND1-OE1 2.96Å; H1311-E1352 PolarHBondContact ND1-OE1 3.18Å; H1311-E1352 IonicContact ND1-OE2 3.71Å; H1311-E1352 PolarHBondContact ND1-OE2 2.78Å; E1352-I1354 PolarHBondContact O-N 2.83Å
1353	T	25.8	Very low	27.4	Very low	87 Å²	87	118 Å²	118	53%	0.534	63%	0.627	S	S	.	*			trans	-47.4	118.5	-150.3	40.8	0	0	0	0	118.6	S1300	S1300-T1353 WeakPolarHBondContact OG-CG2 3.43Å; S1300-T1353 PolarHBondContact OG-OG1 3.05Å
1354	I	28.8	Very low	27.2	Very low	113 Å²	113	119.5 Å²	119.5	58%	0.579	62%	0.623	S	S	*	*			trans	-127.5	126.9	132.2	-60.8	-178.5	0	0	0	107.5	Q138 E1352 E1356	Q138-I1354 HydrophobicContact CB-CD1 4.43Å; E1352-I1354 PolarHBondContact O-N 2.83Å; I1354-E1356 HydrophobicContact CG2-CB 4.38Å
1355	C	24.2	Very low	27.4	Very low	123 Å²	123	120 Å²	120	83%	0.831	62%	0.62	S	S	*	*			trans	-118.7	38.3	-180	-154.5	0	0	0	0	112.1
1356	E	27.9	Very low	27.5	Very low	158 Å²	158	122 Å²	122	74%	0.738	63%	0.631	S	S	*	*			trans	-137.3	158.7	176.3	-90.1	133	-129.3	0	0	109	I1354	I1354-E1356 HydrophobicContact CG2-CB 4.38Å
1357	A	30.1	Very low	27.6	Very low	75 Å²	75	120.4 Å²	120.4	62%	0.62	63%	0.632	S	S	*	*			cis	-130.3	135.4	-19.1	0	0	0	0	0	108.7
1358	N	29.9	Very low	27.6	Very low	104 Å²	104	122.4 Å²	122.4	56%	0.556	64%	0.641	S	S	*	*	S	Bend	trans	-167	83.5	157.8	-120.2	-96.3	0	0	0	110.4
1359	K	30.6	Very low	27.8	Very low	121 Å²	121	122.2 Å²	122.2	53%	0.526	65%	0.651	S	S	.	*	S	Bend	trans	75.3	152.2	167.1	-55.6	163.4	-179.6	169.4	0	117.8	S1658	K1359-S1658 PolarHBondContact NZ-OG 3.05Å
1360	M	23.7	Very low	27.7	Very low	170 Å²	170	127 Å²	127	84%	0.837	67%	0.674	S	S	*	*			trans	69.4	56.7	173.8	-54.8	-55.9	-162.7	0	0	116.6
1361	C	24.2	Very low	28	Very low	136 Å²	136	130 Å²	130	92%	0.919	69%	0.694	S	S	*	*			trans	-125.1	112.7	130.4	-77.2	0	0	0	0	106.7
1362	R	25.9	Very low	28	Very low	233 Å²	233	130.6 Å²	130.6	88%	0.879	71%	0.714	S	S	*	*			trans	-113	165	166.3	-87.2	-177.2	165.3	-178.1	-6.8	107
1363	S	26.5	Very low	28.2	Very low	103 Å²	103	133 Å²	133	72%	0.72	73%	0.734	S	S	*	*	S	Bend	trans	79	145.5	-170	78.1	0	0	0	0	115.1
1364	F	26.8	Very low	28.3	Very low	157 Å²	157	133.5 Å²	133.5	69%	0.689	74%	0.741	S	S	*	*	S	Bend	trans	66.8	31.9	179.1	-58.4	-74.7	0	0	0	118.6	K1382	F1364-K1382 HydrophobicContact CE1-CB 4.05Å; F1364-K1382 HydrophobicContact CE1-CD 4.06Å; F1364-K1382 HydrophobicContact CZ-CB 4.35Å; F1364-K1382 HydrophobicContact CZ-CD 3.93Å; F1364-K1382 HydrophobicContact CZ-CG 4.42Å
1365	K	30.5	Very low	28.3	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	75%	0.753	S	S	*	*	S	Bend	trans	-164.9	87.5	137.1	-111.1	175.7	-175.9	-176	0	108.9
1366	D	30	Very low	28.8	Very low	156 Å²	156	138.8 Å²	138.8	83%	0.834	75%	0.751	S	S	*	*			trans	178.4	79.1	166.1	-87.8	-27.4	0	0	0	105.7
1367	C	27.7	Very low	28.9	Very low	116 Å²	116	137 Å²	137	78%	0.784	76%	0.755	S	S	*	*			trans	-112.3	94.1	162.7	-172.2	0	0	0	0	105	C1369	C1367-C1369 PolarHBondContact O-N 3.35Å
1368	I	28.3	Very low	29.2	Very low	127 Å²	127	139.2 Å²	139.2	65%	0.651	76%	0.761	S	S	*	*			trans	-82	94.1	178	-59	174.3	0	0	0	106.2	D1370	I1368-D1370 HydrophobicContact CG2-CB 4.42Å; I1368-D1370 WeakPolarHBondContact CG2-OD2 3.44Å
1369	C	31.3	Very low	29.5	Very low	106 Å²	106	143.2 Å²	143.2	72%	0.716	77%	0.773	S	S	*	*			trans	-100.6	83.4	160.5	-66.9	0	0	0	0	106.5	C1367 N1371	C1367-C1369 PolarHBondContact O-N 3.35Å; C1369-N1371 PolarHBondContact O-N 2.87Å
1370	D	28.7	Very low	29.4	Very low	140 Å²	140	140.7 Å²	140.7	75%	0.749	77%	0.77	S	S	*	*			trans	-70.1	96.7	169.5	-74.3	-40.8	0	0	0	108.5	I1368	I1368-D1370 HydrophobicContact CG2-CB 4.42Å; I1368-D1370 WeakPolarHBondContact CG2-OD2 3.44Å
1371	N	31.1	Very low	30.1	Very low	165 Å²	165	138.1 Å²	138.1	88%	0.882	76%	0.764	S	S	*	*			trans	-173.8	157.1	143.4	-90.8	-29	0	0	0	109.2	C1369	C1369-N1371 PolarHBondContact O-N 2.87Å
1372	G	28.9	Very low	30.5	Very low	65 Å²	65	139 Å²	139	67%	0.67	75%	0.752	S	S	*	*			trans	-94.4	169.6	-167.1	0	0	0	0	0	115.8
1373	V	30.9	Very low	30.9	Very low	138 Å²	138	132.7 Å²	132.7	84%	0.836	74%	0.743	S	S	*	*			trans	75.9	144	165.6	-164.3	0	0	0	0	115.9
1374	S	28.5	Very low	31.1	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	73%	0.734	S	S	*	*			trans	54.6	114.1	166.1	49.7	0	0	0	0	120.2
1375	E	29	Very low	31.3	Very low	178 Å²	178	130.8 Å²	130.8	83%	0.832	74%	0.735	S	S	*	*	S	Bend		55.4	135.7	127.9	-63.3	173.5	-178.8	0	0	122.9
1376	H	33.6	Very low	31.3	Very low	169 Å²	169	130.4 Å²	130.4	78%	0.782	73%	0.729	S	S	*	*			trans	39.7	72.9	160.9	-65.7	-54	0	0	0	120.4	T1378	H1376-T1378 PolarHBondContact O-N 2.9Å; H1376-T1378 VanDerWaalsContact O-N 3.09Å
1377	C	30.3	Very low	31.5	Very low	120 Å²	120	129.8 Å²	129.8	81%	0.811	73%	0.725	S	S	*	*			trans	-75.1	94.3	160.6	-175.3	0	0	0	0	112.3
1378	T	36.8	Very low	31.6	Very low	123 Å²	123	129.4 Å²	129.4	76%	0.755	72%	0.715	S	S	*	*			trans	-86.2	4.4	-178.2	49.8	0	0	0	0	115.2	H1376	H1376-T1378 PolarHBondContact O-N 2.9Å; H1376-T1378 VanDerWaalsContact O-N 3.09Å
1379	K	35.4	Very low	31.8	Very low	187 Å²	187	130.1 Å²	130.1	81%	0.813	72%	0.719	S	S	*	*			trans	-105.8	19.8	-168.1	-67.8	-176.8	177.3	176	0	116	T1381	K1379-T1381 PolarHBondContact O-N 3.34Å
1380	C	29.8	Very low	31.8	Very low	69 Å²	69	132.9 Å²	132.9	47%	0.466	73%	0.725	S	S	.	*			trans	-86.2	88.3	174.6	-169.4	0	0	0	0	112.6	K1382 C1383	C1380-K1382 PolarHBondContact O-N 2.98Å; C1380-C1383 HydrophobicContact CB-CB 4.48Å; C1380-C1383 PolarHBondContact O-N 2.92Å; C1380-C1383 VanDerWaalsContact SG-SG 3.6Å
1381	T	37.6	Very low	31.8	Very low	116 Å²	116	133.4 Å²	133.4	71%	0.712	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	1.1	179.9	54.6	0	0	0	0	115.8	K1379	K1379-T1381 PolarHBondContact O-N 3.34Å
1382	K	33.4	Very low	31.7	Very low	154 Å²	154	136.4 Å²	136.4	67%	0.67	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-2.6	172.2	-78.6	165.8	173.9	167.1	0	113.7	F1364 C1380	F1364-K1382 HydrophobicContact CE1-CB 4.05Å; F1364-K1382 HydrophobicContact CE1-CD 4.06Å; F1364-K1382 HydrophobicContact CZ-CB 4.35Å; F1364-K1382 HydrophobicContact CZ-CD 3.93Å; F1364-K1382 HydrophobicContact CZ-CG 4.42Å; C1380-K1382 PolarHBondContact O-N 2.98Å
1383	C	33.6	Very low	31.7	Very low	101 Å²	101	138.1 Å²	138.1	68%	0.682	73%	0.73	S	S	*	*	S	Bend	trans	-102.8	-13.7	178.5	-68.1	0	0	0	0	113.9	C1380	C1380-C1383 HydrophobicContact CB-CB 4.48Å; C1380-C1383 PolarHBondContact O-N 2.92Å; C1380-C1383 VanDerWaalsContact SG-SG 3.6Å
1384	T	32.1	Very low	31.7	Very low	86 Å²	86	139.6 Å²	139.6	53%	0.528	73%	0.725	S	S	.	*	S	Bend	trans	-83	-23.6	-176.5	43.5	0	0	0	0	114.6	Y1386	T1384-Y1386 PolarHBondContact O-N 2.86Å
1385	L	30.7	Very low	31.7	Very low	134 Å²	134	141.7 Å²	141.7	70%	0.702	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	36.8	-175	-83.2	168.3	0	0	0	115.7
1386	Y	30.6	Very low	31.6	Very low	190 Å²	190	139.8 Å²	139.8	75%	0.745	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	2.2	173.9	-138	-94.6	0	0	0	114.5	T1384	T1384-Y1386 PolarHBondContact O-N 2.86Å
1387	L	33.2	Very low	31.3	Very low	144 Å²	144	138.1 Å²	138.1	75%	0.754	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-29.4	174.2	-80.7	157.7	0	0	0	113.2	I1389	L1387-I1389 PolarHBondContact O-N 2.93Å
1388	D	30.7	Very low	31.3	Very low	108 Å²	108	137.9 Å²	137.9	58%	0.578	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	21.7	-169.3	-51.4	-33.6	0	0	0	116.4
1389	I	31.7	Very low	30.8	Very low	141 Å²	141	138.9 Å²	138.9	72%	0.723	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	21.5	178.3	-41.3	-177.8	0	0	0	112.1	L1387	L1387-I1389 PolarHBondContact O-N 2.93Å
1390	L	30.6	Very low	30.5	Very low	164 Å²	164	135.2 Å²	135.2	86%	0.859	71%	0.707	S	S	*	*	S	Bend	trans	-125	-2	162.6	-75.6	176.4	0	0	0	114.2
1391	L	29.7	Very low	30.4	Very low	151 Å²	151	139.6 Å²	139.6	79%	0.791	72%	0.718	S	S	*	*			trans	-121.3	80.1	172.2	-67.8	175.6	0	0	0	110.2
1392	Y	29	Very low	29.9	Very low	228 Å²	228	139.5 Å²	139.5	89%	0.894	72%	0.717	S	S	*	*			trans	-157.7	72.9	159.2	-125.9	-70.8	0	0	0	112.3
1393	S	27.9	Very low	29.7	Very low	102 Å²	102	139.7 Å²	139.7	71%	0.713	72%	0.724	S	S	*	*			trans	-147.6	101.2	169.7	51.1	0	0	0	0	109.6
1394	K	31.5	Very low	29.5	Very low	169 Å²	169	140 Å²	140	74%	0.735	72%	0.719	S	S	*	*			trans	67	145.9	172.2	-58.9	172	138.2	-80.4	0	114.4
1395	E	28.5	Very low	29.2	Very low	142 Å²	142	144.2 Å²	144.2	66%	0.664	74%	0.739	S	S	*	*			cis	-161.3	176.4	-12.4	-121.6	149.5	-156.4	0	0	109.3
1396	I	26.7	Very low	29.2	Very low	137 Å²	137	145.5 Å²	145.5	70%	0.703	74%	0.741	S	S	*	*			trans	67	116.1	172.6	-46.5	-171.9	0	0	0	115.2	T1398	I1396-T1398 HydrophobicContact CG2-CG2 3.84Å; I1396-T1398 VanDerWaalsContact CG2-N 3.27Å
1397	P	28.1	Very low	29.1	Very low	134 Å²	134	143.1 Å²	143.1	87%	0.87	75%	0.746	S	S	*	*				-111.2	131.3	105.8	30.7	-34.4	0	0	0	110.8
1398	T	30.1	Very low	28.9	Very low	116 Å²	116	143 Å²	143	71%	0.712	75%	0.745	S	S	*	*			trans	-69.8	161.3	168.3	41.2	0	0	0	0	110.3	I1396	I1396-T1398 HydrophobicContact CG2-CG2 3.84Å; I1396-T1398 VanDerWaalsContact CG2-N 3.27Å
1399	N	25.3	Very low	28.9	Very low	143 Å²	143	144 Å²	144	77%	0.765	75%	0.75	S	S	*	*			trans	-45.7	141.5	152.9	-55.4	-30.4	0	0	0	108.7
1400	D	28.9	Very low	28.8	Very low	111 Å²	111	143.5 Å²	143.5	59%	0.594	75%	0.754	S	S	*	*			cis	-152.2	141.6	48	-112.2	-21	0	0	0	114.6
1401	K	28.3	Very low	28.9	Very low	160 Å²	160	140.3 Å²	140.3	70%	0.696	74%	0.743	S	S	*	*				54.7	126	127.3	-70.9	168.6	-166.4	127.8	0	122.9
1402	V	28.1	Very low	28.8	Very low	114 Å²	114	139.8 Å²	139.8	69%	0.691	74%	0.741	S	S	*	*			trans	74.3	151.3	135	-174.3	0	0	0	0	112.2
1403	I	29	Very low	28.8	Very low	159 Å²	159	134 Å²	134	82%	0.815	73%	0.734	S	S	*	*			cis	-124.1	153.9	22.2	-30.2	-139.8	0	0	0	113.1
1404	N	29.1	Very low	28.8	Very low	106 Å²	106	135.6 Å²	135.6	57%	0.567	73%	0.733	S	S	*	*			trans	-65.7	149.2	-171.2	-53.1	-29.7	0	0	0	115.5	Q1406	N1404-Q1406 HydrophobicContact CB-CB 4.16Å; N1404-Q1406 HydrophobicContact CB-CG 4.33Å; N1404-Q1406 PolarHBondContact O-N 2.78Å
1405	N	26.1	Very low	28.8	Very low	176 Å²	176	133.3 Å²	133.3	94%	0.941	73%	0.729	S	S	*	*			trans	-77.7	89.3	140.5	-97.7	-12	0	0	0	108.5
1406	Q	30.6	Very low	28.9	Very low	161 Å²	161	132.9 Å²	132.9	75%	0.752	73%	0.731	S	S	*	*			trans	-135.2	103.7	160.6	-85.9	-174.8	-43.7	0	0	108.6	N1404	N1404-Q1406 HydrophobicContact CB-CB 4.16Å; N1404-Q1406 HydrophobicContact CB-CG 4.33Å; N1404-Q1406 PolarHBondContact O-N 2.78Å
1407	V	28	Very low	29.2	Very low	140 Å²	140	132.3 Å²	132.3	85%	0.848	74%	0.739	S	S	*	*			trans	-93.4	102.4	164	177.5	0	0	0	0	106.6
1408	L	30	Very low	29.4	Very low	140 Å²	140	128.8 Å²	128.8	73%	0.733	73%	0.727	S	S	*	*			trans	-176.9	134.6	131.8	-94.7	163.1	0	0	0	109.6
1409	D	30.4	Very low	29.6	Very low	130 Å²	130	128.8 Å²	128.8	70%	0.695	73%	0.732	S	S	*	*			trans	64.7	107.7	154.9	-51.5	-28.9	0	0	0	122.5
1410	V	29.2	Very low	29.8	Very low	130 Å²	130	131.5 Å²	131.5	79%	0.788	74%	0.737	S	S	*	*				77	126.7	126.8	173.7	0	0	0	0	119.3
1411	P	32.4	Very low	29.9	Very low	98 Å²	98	131.5 Å²	131.5	64%	0.636	74%	0.743	S	S	*	*			cis	-141	-170.7	-28.9	41.8	-23.2	0	0	0	114.3
1412	N	27.9	Very low	29.8	Very low	139 Å²	139	129.6 Å²	129.6	74%	0.743	74%	0.744	S	S	*	*			trans	68.4	109.3	150.7	-67.2	-9.5	0	0	0	121.7
1413	S	27.9	Very low	29.7	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	75%	0.747	S	S	*	*				80.7	148.2	121.6	85.6	0	0	0	0	118.2
1414	I	29.3	Very low	29.7	Very low	135 Å²	135	129.6 Å²	129.6	69%	0.692	74%	0.741	S	S	*	*			cis	-158.1	145.3	-2.5	-132.2	169.8	0	0	0	110.6
1415	N	30.1	Very low	29.3	Very low	122 Å²	122	129.8 Å²	129.8	65%	0.652	75%	0.75	S	S	*	*			trans	52.7	154.1	151.2	-59.7	-10.2	0	0	0	121
1416	N	31.9	Very low	29.5	Very low	133 Å²	133	126.9 Å²	126.9	71%	0.711	74%	0.739	S	S	*	*			cis	-167.9	170.5	-13.1	-107.7	-20.9	0	0	0	110.1
1417	S	32.3	Very low	29.3	Very low	124 Å²	124	123 Å²	123	87%	0.867	73%	0.734	S	S	*	*			trans	62.8	134.7	152.8	53.4	0	0	0	0	120.1
1418	G	33.5	Very low	29.3	Very low	60 Å²	60	126.3 Å²	126.3	62%	0.619	73%	0.733	S	S	*	*			cis	179.1	174.6	-3.8	0	0	0	0	0	114.7
1419	S	33	Very low	29.4	Very low	117 Å²	117	125.6 Å²	125.6	82%	0.818	73%	0.73	S	S	*	*			trans	57.2	119.4	172.7	33.7	0	0	0	0	117.4
1420	K	30.5	Very low	29.1	Very low	200 Å²	200	127.5 Å²	127.5	87%	0.87	73%	0.734	S	S	*	*			cis	62.8	147.6	47.1	-63.1	-174.4	169.1	-179.4	0	114.3
1421	P	30.7	Very low	29.3	Very low	110 Å²	110	129.5 Å²	129.5	71%	0.714	74%	0.739	S	S	*	*			cis	-143.7	177.9	-35.7	40.4	-23.2	0	0	0	114.8
1422	V	25.3	Very low	28.9	Very low	120 Å²	120	130 Å²	130	73%	0.727	74%	0.74	S	S	*	*			trans	-6.3	130.2	141.5	-173.1	0	0	0	0	117.8
1423	N	25.8	Very low	29.1	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	74%	0.738	S	S	*	*				178.7	157.3	120	-105.3	-37.6	0	0	0	119.3
1424	I	28.9	Very low	29.3	Very low	135 Å²	135	131.6 Å²	131.6	69%	0.692	74%	0.735	S	S	*	*			trans	56.5	105.7	144.3	-63.1	159.5	0	0	0	121.5
1425	S	22.3	Very low	29.4	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	73%	0.734	S	S	*	*				19.2	173.5	116.2	-143.1	0	0	0	0	124.6
1426	T	29.4	Very low	29.4	Very low	116 Å²	116	131.7 Å²	131.7	71%	0.712	74%	0.736	S	S	*	*			trans	84.7	110.5	153.8	17.8	0	0	0	0	122.1
1427	A	27.4	Very low	29.3	Very low	78 Å²	78	131.7 Å²	131.7	65%	0.645	74%	0.736	S	S	*	*			trans	69.7	160.9	142	0	0	0	0	0	118.8
1428	Y	28	Very low	29.2	Very low	210 Å²	210	131.5 Å²	131.5	82%	0.824	73%	0.725	S	S	*	*			cis	-151.3	165.6	15.9	-113.9	-53.2	0	0	0	113.4
1429	L	30.8	Very low	29	Very low	126 Å²	126	135 Å²	135	66%	0.66	73%	0.729	S	S	*	*			trans	55.1	110.4	149.3	-68.6	163.9	0	0	0	121.9
1430	E	24.7	Very low	28.6	Very low	169 Å²	169	134.5 Å²	134.5	79%	0.79	73%	0.726	S	S	*	*				31.7	125.2	109.9	-61.3	173.7	-177.2	0	0	120.4
1431	I	32.3	Very low	28.7	Very low	172 Å²	172	133.7 Å²	133.7	88%	0.882	73%	0.725	S	S	*	*				-151.6	143	129.8	-96	146.7	0	0	0	107.1
1432	T	25.9	Very low	28.5	Very low	110 Å²	110	138 Å²	138	68%	0.675	73%	0.733	S	S	*	*			trans	-110.7	176.4	176.8	43.9	0	0	0	0	111.9
1433	D	30.2	Very low	28.8	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	73%	0.728	S	S	*	*			trans	98.3	127	147.8	-60.6	-48.8	0	0	0	121.8
1434	H	33.4	Very low	29	Very low	149 Å²	149	138.9 Å²	138.9	69%	0.69	73%	0.73	S	S	*	*			trans	60.1	100.2	137.5	-76.5	-76.2	0	0	0	122
1435	D	30.3	Very low	29	Very low	126 Å²	126	137.8 Å²	137.8	67%	0.674	73%	0.73	S	S	*	*				87.7	153.5	110.5	-88.3	-19.4	0	0	0	123.8
1436	I	31.5	Very low	29.2	Very low	133 Å²	133	136.3 Å²	136.3	68%	0.682	72%	0.72	S	S	*	*			trans	77.2	96.4	144.7	-75.7	163.9	0	0	0	119.1
1437	N	29.3	Very low	29.4	Very low	134 Å²	134	138 Å²	138	72%	0.717	72%	0.72	S	S	*	*				85.4	143.2	122.8	-74.9	-5.4	0	0	0	124.3
1438	N	30.6	Very low	29.5	Very low	119 Å²	119	140.2 Å²	140.2	64%	0.636	72%	0.72	S	S	*	*			trans	76.7	104.5	138.8	-68.3	-7.2	0	0	0	122.2
1439	N	28.4	Very low	29.6	Very low	133 Å²	133	136.5 Å²	136.5	71%	0.711	71%	0.713	S	S	*	*				69.8	117.5	113.4	-57.8	-14.7	0	0	0	121.8
1440	S	25.8	Very low	29.5	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	72%	0.716	S	S	*	*				89.1	157.8	118.6	67.1	0	0	0	0	122.3
1441	E	31.1	Very low	29.6	Very low	184 Å²	184	134.1 Å²	134.1	86%	0.86	72%	0.715	S	S	*	*			trans	97.1	142.8	161.4	-45.4	-148.7	137.3	0	0	119.3
1442	K	27.2	Very low	29.4	Very low	200 Å²	200	131.4 Å²	131.4	87%	0.87	71%	0.706	S	S	*	*			trans	-96.2	-160.2	173.6	-50	176.6	171.3	175.3	0	107.8
1443	P	32.2	Very low	29.6	Very low	95 Å²	95	133.1 Å²	133.1	62%	0.617	71%	0.71	S	S	*	*			cis	-154	-167.7	31.1	29.3	1.6	0	0	0	117.9
1444	F	28.2	Very low	29.5	Very low	182 Å²	182	133.3 Å²	133.3	80%	0.798	71%	0.711	S	S	*	*			trans	69.6	158.4	152.2	-64.8	-44.3	0	0	0	122.2
1445	T	28.9	Very low	29.5	Very low	111 Å²	111	132.7 Å²	132.7	68%	0.681	72%	0.717	S	S	*	*				-166.7	162.5	-52.3	14.3	0	0	0	0	115
1446	S	27	Very low	29.8	Very low	80 Å²	80	130.6 Å²	130.6	56%	0.559	72%	0.717	S	S	*	*			trans	89.9	151.2	137.9	68.6	0	0	0	0	125.4
1447	H	34.2	Very low	29.7	Very low	152 Å²	152	132.3 Å²	132.3	70%	0.704	73%	0.728	S	S	*	*			trans	75	147	160.2	-59.2	-57.4	0	0	0	121.7
1448	N	30.2	Very low	29.8	Very low	124 Å²	124	129.5 Å²	129.5	66%	0.663	73%	0.731	S	S	*	*			cis	-165.4	145.7	-31.5	-111.5	6.1	0	0	0	114.3
1449	I	29.7	Very low	30.1	Very low	132 Å²	132	132.8 Å²	132.8	68%	0.677	74%	0.742	S	S	*	*			trans	28.4	125.7	141.8	-32.2	169	0	0	0	120
1450	S	28.5	Very low	30.1	Very low	103 Å²	103	135.3 Å²	135.3	72%	0.72	75%	0.75	S	S	*	*				177.3	134.1	88.9	-61.4	0	0	0	0	110.7
1451	N	26.4	Very low	30.1	Very low	142 Å²	142	134.5 Å²	134.5	76%	0.759	74%	0.743	S	S	*	*				63.2	139.8	82	-71.9	3.8	0	0	0	115.2
1452	T	27.3	Very low	30.1	Very low	114 Å²	114	132.8 Å²	132.8	70%	0.699	74%	0.735	S	S	*	*			cis	-168.7	-170.9	4.2	16.2	0	0	0	0	110.4
1453	I	30.9	Very low	30.1	Very low	146 Å²	146	131.5 Å²	131.5	75%	0.749	73%	0.726	S	S	*	*			trans	78.8	134.4	161.7	-55	179.8	0	0	0	115.9
1454	D	28.8	Very low	29.8	Very low	134 Å²	134	133.1 Å²	133.1	72%	0.717	73%	0.729	S	S	*	*			cis	-165.9	161.4	-22.2	-108.5	-26.2	0	0	0	111.2
1455	V	32.1	Very low	29.6	Very low	135 Å²	135	130.1 Å²	130.1	82%	0.818	72%	0.72	S	S	*	*			trans	56.5	134.9	145.6	173	0	0	0	0	119.2
1456	A	37	Very low	29.5	Very low	82 Å²	82	128.7 Å²	128.7	68%	0.678	72%	0.719	S	S	*	*			cis	-146.7	143.9	18.2	0	0	0	0	0	115.4
1457	N	30.4	Very low	29.4	Very low	169 Å²	169	128.2 Å²	128.2	90%	0.904	72%	0.716	S	S	*	*			trans	10.7	125.4	143.9	-55.1	-14.7	0	0	0	121.3
1458	G	31.8	Very low	28.9	Very low	75 Å²	75	127.3 Å²	127.3	77%	0.773	72%	0.722	S	S	*	*			trans	-177.2	92.4	162.1	0	0	0	0	0	115.9
1459	Q	35.1	Very low	28.7	Very low	188 Å²	188	126.6 Å²	126.6	88%	0.879	73%	0.725	S	S	*	*	S	Bend	trans	62.4	107.5	163.8	-64.1	-179.9	-31	0	0	120
1460	Q	29.3	Very low	28.4	Very low	187 Å²	187	127.4 Å²	127.4	87%	0.874	73%	0.73	S	S	*	*			trans	59.4	119.2	142.2	-73.6	-176.4	-24.5	0	0	119.5
1461	C	25.7	Very low	28.4	Very low	90 Å²	90	129.2 Å²	129.2	61%	0.608	73%	0.729	S	S	*	*			cis	55.3	128.2	18.9	-68.6	0	0	0	0	114.1
1462	H	31.2	Very low	28.4	Very low	148 Å²	148	128.1 Å²	128.1	69%	0.685	72%	0.723	S	S	*	*			cis	-148.9	142.4	42	-99	-71.3	0	0	0	110.9
1463	Y	28	Very low	28.3	Very low	173 Å²	173	130.5 Å²	130.5	68%	0.678	73%	0.727	S	S	*	*				71.5	134.4	95.7	-74.1	-142.6	0	0	0	113.6
1464	L	25.2	Very low	28.2	Very low	129 Å²	129	130.6 Å²	130.6	68%	0.675	73%	0.728	S	S	*	*				73.4	124.8	52	-70.9	167.5	0	0	0	113.6
1465	L	24.6	Very low	28.1	Very low	119 Å²	119	129.6 Å²	129.6	62%	0.623	72%	0.722	S	S	*	*			trans	66.1	156.4	163.5	-56.2	161.7	0	0	0	114.7
1466	A	25.9	Very low	28	Very low	80 Å²	80	130.1 Å²	130.1	66%	0.661	72%	0.716	S	S	*	*			cis	-140.8	173.7	-5.4	0	0	0	0	0	110.8
1467	S	25	Very low	27.7	Very low	70 Å²	70	134 Å²	134	49%	0.49	72%	0.72	S	S	.	*			trans	-77.1	132.1	161.7	48.3	0	0	0	0	111.7	N20	N20-S1467 PolarHBondContact OD1-OG 3.39Å; N20-S1467 VanDerWaalsContact OD1-OG 3.13Å
1468	T	24.6	Very low	27.4	Very low	134 Å²	134	135.4 Å²	135.4	82%	0.822	72%	0.718	S	S	*	*			trans	-163.6	164.5	152.6	16.9	0	0	0	0	110.9
1469	C	25.3	Very low	27.1	Very low	109 Å²	109	139.1 Å²	139.1	74%	0.736	72%	0.719	S	S	*	*			trans	3.5	127.5	161.2	-53	0	0	0	0	118.2
1470	D	23.9	Very low	26.9	Very low	148 Å²	148	135.4 Å²	135.4	79%	0.791	71%	0.711	S	S	*	*				67.4	149.8	53.7	-154.9	7	0	0	0	113
1471	M	27.6	Very low	26.8	Very low	141 Å²	141	132.3 Å²	132.3	70%	0.695	70%	0.704	S	S	*	*			trans	82.8	98.8	-173.6	-50.5	-62	-72.2	0	0	118.5
1472	N	26.6	Very low	26.8	Very low	119 Å²	119	133.9 Å²	133.9	64%	0.636	71%	0.707	S	S	*	*				56.1	129.7	126.1	-56.8	0.8	0	0	0	123.8
1473	E	24.9	Very low	26.6	Very low	165 Å²	165	132.8 Å²	132.8	77%	0.771	71%	0.706	S	S	*	*				28.7	118.9	126.9	-45.4	177.2	149.1	0	0	120.1
1474	L	29.7	Very low	26.6	Very low	147 Å²	147	131.2 Å²	131.2	77%	0.77	71%	0.71	S	S	*	*				-177.2	132.7	110.6	-120.3	76.9	0	0	0	115.2
1475	N	26.2	Very low	26.7	Very low	113 Å²	113	131.5 Å²	131.5	60%	0.604	71%	0.711	S	S	*	*			trans	50.7	121.2	132.7	-78.2	-27.2	0	0	0	125.5
1476	Q	29	Very low	26.8	Very low	146 Å²	146	132 Å²	132	68%	0.682	71%	0.714	S	S	*	*				88.9	162.5	121.5	-66.6	167.1	15.4	0	0	122.5
1477	H	31.7	Very low	26.8	Very low	165 Å²	165	134.6 Å²	134.6	76%	0.764	72%	0.717	S	S	*	*			trans	76.9	68.9	169.2	-61.6	-68.2	0	0	0	121.2
1478	F	23.6	Very low	26.9	Very low	198 Å²	198	137.1 Å²	137.1	87%	0.868	73%	0.729	S	S	*	*				19.3	151	106.8	-107.5	-81.4	0	0	0	121.3
1479	I	25.6	Very low	27.1	Very low	153 Å²	153	137.1 Å²	137.1	79%	0.785	72%	0.723	S	S	*	*			trans	106.2	136.5	159	-68.5	165.1	0	0	0	116.3
1480	P	30.9	Very low	27	Very low	110 Å²	110	139 Å²	139	71%	0.714	73%	0.726	S	S	*	*			trans	-108.2	-165	-169.2	43	-32.8	0	0	0	112.4
1481	V	26.6	Very low	27.2	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	72%	0.723	S	S	*	*			trans	173.2	134	133.6	146.6	0	0	0	0	114.9
1482	N	26.4	Very low	27.3	Very low	123 Å²	123	139.1 Å²	139.1	66%	0.658	72%	0.722	S	S	*	*			trans	47	118.2	148.8	-64.7	-8.2	0	0	0	126.3
1483	N	26.5	Very low	27.4	Very low	125 Å²	125	138.4 Å²	138.4	67%	0.668	72%	0.719	S	S	*	*				73.5	142.9	108	-54.9	-16.4	0	0	0	125.3
1484	N	28.2	Very low	27.6	Very low	141 Å²	141	134.8 Å²	134.8	75%	0.754	71%	0.712	S	S	*	*			trans	70.6	130.1	153.2	-59.2	-13.6	0	0	0	119.3
1485	L	27.6	Very low	27.4	Very low	135 Å²	135	134.9 Å²	134.9	71%	0.707	71%	0.713	S	S	*	*			cis	91.5	143.3	42.6	-121.3	74.1	0	0	0	113.7
1486	D	26	Very low	27.4	Very low	129 Å²	129	136.4 Å²	136.4	69%	0.69	72%	0.721	S	S	*	*			trans	68.3	139.1	163.3	-55.8	-25.8	0	0	0	116.1
1487	N	27.7	Very low	27.4	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	72%	0.722	S	S	*	*			cis	-158.5	132.9	29.4	-114.6	-34.9	0	0	0	114.6
1488	V	27	Very low	27.3	Very low	122 Å²	122	134.5 Å²	134.5	74%	0.739	72%	0.72	S	S	*	*				64.5	161.2	121.5	170.2	0	0	0	0	121.9
1489	I	27.9	Very low	27.5	Very low	135 Å²	135	131 Å²	131	69%	0.692	71%	0.71	S	S	*	*			trans	70.4	95.4	179.4	-32.2	-171.6	0	0	0	114.5
1490	N	24	Very low	27.6	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	71%	0.708	S	S	*	*				59.1	133	74.9	-68.3	-28.3	0	0	0	115.7
1491	I	27.8	Very low	27.4	Very low	146 Å²	146	132.9 Å²	132.9	75%	0.749	72%	0.716	S	S	*	*				174.7	121.2	120.7	-89.9	159.3	0	0	0	111.1
1492	H	29.9	Very low	27.5	Very low	145 Å²	145	134.7 Å²	134.7	67%	0.671	72%	0.72	S	S	*	*			trans	37.1	113.8	152.2	-70.8	-76.1	0	0	0	124
1493	D	28.3	Very low	27.4	Very low	104 Å²	104	133.1 Å²	133.1	56%	0.556	71%	0.711	S	S	*	*				61.1	102	108.3	-61.6	-11	0	0	0	122.5
1494	S	28.7	Very low	27.4	Very low	90 Å²	90	130.9 Å²	130.9	63%	0.629	71%	0.71	S	S	*	*				106.3	121.4	100.8	75.4	0	0	0	0	120.6
1495	N	26.4	Very low	27.2	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	71%	0.711	S	S	*	*			trans	55.3	86.7	130.9	-56.2	-22.2	0	0	0	118.8
1496	N	25.5	Very low	27	Very low	145 Å²	145	129.9 Å²	129.9	78%	0.775	71%	0.714	S	S	*	*				-153.5	-167.1	123.6	-103.7	-19.3	0	0	0	109.5
1497	D	29.6	Very low	26.9	Very low	132 Å²	132	130 Å²	130	71%	0.706	71%	0.714	S	S	*	*			trans	78.7	118.2	160.4	-59.1	-18.5	0	0	0	116.1
1498	I	29.9	Very low	26.8	Very low	139 Å²	139	135.1 Å²	135.1	71%	0.713	73%	0.725	S	S	*	*				64.4	124.5	80.1	-66.7	167.8	0	0	0	108.9
1499	N	26.1	Very low	26.7	Very low	126 Å²	126	132.8 Å²	132.8	67%	0.674	71%	0.714	S	S	*	*			cis	178.7	-170.5	-4.4	-107.2	-23.9	0	0	0	104.3
1500	N	28.8	Very low	26.6	Very low	137 Å²	137	133.7 Å²	133.7	73%	0.733	72%	0.721	S	S	*	*			trans	67	148.7	150.2	-65.6	-3.5	0	0	0	120.6	I1502	N1500-I1502 PolarHBondContact O-N 2.87Å
1501	D	26	Very low	26.7	Very low	165 Å²	165	134.7 Å²	134.7	88%	0.882	72%	0.721	S	S	*	*			trans	-78.7	97.7	179	-71.6	-91	0	0	0	111.5
1502	I	29.3	Very low	26.8	Very low	158 Å²	158	135.6 Å²	135.6	81%	0.81	73%	0.727	S	S	*	*			trans	-99.2	102.9	151.7	-59.7	-179	0	0	0	105.3	N1500	N1500-I1502 PolarHBondContact O-N 2.87Å
1503	N	24.8	Very low	26.5	Very low	91 Å²	91	134 Å²	134	49%	0.487	72%	0.722	S	S	.	*				70.5	165.5	62.6	-157.4	8.1	0	0	0	111.7
1504	A	25	Very low	26.4	Very low	78 Å²	78	139.1 Å²	139.1	65%	0.645	74%	0.74	S	S	*	*			trans	64.2	118.5	-179.8	0	0	0	0	0	116
1505	V	24	Very low	26.2	Very low	128 Å²	128	140.5 Å²	140.5	78%	0.776	74%	0.74	S	S	*	*				87.6	109.3	51.9	169.5	0	0	0	0	111.4
1506	V	23.6	Very low	26.1	Very low	127 Å²	127	142.1 Å²	142.1	77%	0.77	74%	0.741	S	S	*	*			trans	65.6	161.5	165.9	-177.4	0	0	0	0	109.7
1507	L	24.8	Very low	26	Very low	132 Å²	132	141.8 Å²	141.8	69%	0.691	74%	0.743	S	S	*	*			cis	-122.7	128.3	21.1	-59.9	138.5	0	0	0	111.6	S1509	L1507-S1509 VanDerWaalsContact C-N 3.34Å
1508	Y	24.6	Very low	26.2	Very low	241 Å²	241	140 Å²	140	95%	0.945	74%	0.739	S	S	*	*				-97.4	81.4	128.3	-84.2	-74.3	0	0	0	104.4
1509	S	25.7	Very low	25.8	Very low	74 Å²	74	138.4 Å²	138.4	52%	0.517	74%	0.739	S	S	.	*			trans	-74.5	128.7	165.5	37.7	0	0	0	0	107.3	L1507 E1511	L1507-S1509 VanDerWaalsContact C-N 3.34Å; S1509-E1511 PolarHBondContact O-N 2.86Å
1510	D	26.9	Very low	25.7	Very low	154 Å²	154	140.7 Å²	140.7	82%	0.824	75%	0.746	S	S	*	*			trans	-70.5	114.6	160.7	-63.6	-67.3	0	0	0	107.3
1511	E	25.1	Very low	25.5	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	74%	0.744	S	S	*	*			trans	-159.9	75.3	164.1	-121.3	173.2	-114	0	0	109.2	S1509	S1509-E1511 PolarHBondContact O-N 2.86Å
1512	N	29.3	Very low	25.5	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	74%	0.743	S	S	*	*			trans	-157.8	62.9	147.2	-107.2	-87.7	0	0	0	106.2
1513	I	24.2	Very low	25.5	Very low	112 Å²	112	142.9 Å²	142.9	57%	0.574	74%	0.743	S	S	*	*			trans	-58.6	131.9	160.8	-65.4	167.5	0	0	0	107	D1515	I1513-D1515 VanDerWaalsContact CG2-CG 3.47Å; I1513-D1515 WeakPolarHBondContact CG2-OD2 3.4Å
1514	F	25.3	Very low	25.4	Very low	211 Å²	211	142.5 Å²	142.5	93%	0.925	75%	0.748	S	S	*	*			trans	-142.1	126.4	137.4	-106.4	-73.9	0	0	0	106.8
1515	D	24.8	Very low	25.4	Very low	119 Å²	119	144.3 Å²	144.3	64%	0.636	75%	0.747	S	S	*	*			trans	-85.4	-176.3	-158.8	-77.4	-57.5	0	0	0	114.4	I1513	I1513-D1515 VanDerWaalsContact CG2-CG 3.47Å; I1513-D1515 WeakPolarHBondContact CG2-OD2 3.4Å
1516	F	23.9	Very low	25.4	Very low	182 Å²	182	144.3 Å²	144.3	80%	0.798	74%	0.742	S	S	*	*			trans	-14.3	142.9	139.8	-60.5	-93.9	0	0	0	114.2
1517	V	25.2	Very low	25.5	Very low	137 Å²	137	142.9 Å²	142.9	83%	0.83	73%	0.734	S	S	*	*				-147.5	148	72.2	147.8	0	0	0	0	112.6
1518	P	32.9	Very low	25.5	Very low	95 Å²	95	142.8 Å²	142.8	62%	0.617	73%	0.733	S	S	*	*			trans	-86.1	-162.1	174.6	38.9	-38.8	0	0	0	112.5
1519	C	22.5	Very low	25.6	Very low	106 Å²	106	138 Å²	138	72%	0.716	72%	0.719	S	S	*	*			trans	68.8	149.9	-179.2	-63.7	0	0	0	0	115.2
1520	E	23.8	Very low	25.7	Very low	173 Å²	173	140.8 Å²	140.8	81%	0.808	73%	0.728	S	S	*	*			cis	-158.6	-165.9	-38.7	-130.4	155	177.3	0	0	108.1
1521	D	24.5	Very low	25.7	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	72%	0.723	S	S	*	*			trans	-54.5	138	-176.2	-71.4	-52.3	0	0	0	114.2
1522	I	24.8	Very low	26.2	Very low	166 Å²	166	136 Å²	136	85%	0.851	71%	0.713	S	S	*	*				-144.8	102.2	114.8	-96.6	148.5	0	0	0	107.6
1523	Y	28.8	Very low	26	Very low	209 Å²	209	135.1 Å²	135.1	82%	0.82	70%	0.704	S	S	*	*			trans	-60.4	147	151.6	-103.5	-94.2	0	0	0	107.9
1524	S	24.3	Very low	26	Very low	83 Å²	83	138.6 Å²	138.6	58%	0.58	71%	0.711	S	S	*	*				178.5	168.1	102.8	57.5	0	0	0	0	111
1525	N	24.1	Very low	25.9	Very low	116 Å²	116	134.6 Å²	134.6	62%	0.62	70%	0.699	S	S	*	*			trans	61	140.1	148.7	-59.8	-20.6	0	0	0	117.2
1526	N	25.4	Very low	25.9	Very low	127 Å²	127	134.7 Å²	134.7	68%	0.679	70%	0.699	S	S	*	*			cis	169.4	159.4	-1.4	-98.4	-13.5	0	0	0	101.6
1527	T	25.6	Very low	25.9	Very low	98 Å²	98	132.3 Å²	132.3	60%	0.601	70%	0.7	S	S	*	*			cis	-152.1	-174	-0.4	-1.2	0	0	0	0	108.8
1528	L	23.7	Very low	25.8	Very low	130 Å²	130	129.6 Å²	129.6	68%	0.681	69%	0.691	S	S	*	*			trans	4.5	142.3	130.8	-48.1	157.2	0	0	0	116.3
1529	H	27.5	Very low	25.5	Very low	140 Å²	140	132.2 Å²	132.2	65%	0.648	70%	0.699	S	S	*	*			cis	-154.2	159.8	42.5	-104.9	-64.9	0	0	0	113.5
1530	N	27.2	Very low	25.7	Very low	132 Å²	132	133.7 Å²	133.7	71%	0.706	70%	0.696	S	S	*	*			trans	53.1	114.1	138.4	-59	-0.1	0	0	0	118.8
1531	N	26.9	Very low	26	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	69%	0.69	S	S	*	*			cis	59.4	137.6	15.4	-154.6	57	0	0	0	113.8
1532	P	36.2	Very low	26.2	Very low	91 Å²	91	132.3 Å²	132.3	59%	0.591	69%	0.689	S	S	*	*				-129.9	-122.9	-51.8	37.6	-22.5	0	0	0	109.8
1533	E	24.2	Very low	26.6	Very low	147 Å²	147	128.6 Å²	128.6	69%	0.687	68%	0.676	S	S	*	*			trans	74.7	164.9	165.7	-54.7	-171.3	133.2	0	0	118.5
1534	Y	24.5	Very low	26.5	Very low	184 Å²	184	126 Å²	126	72%	0.722	67%	0.673	S	S	*	*			trans	59.4	137.3	173.1	-60.2	-85.8	0	0	0	118.6
1535	L	23.3	Very low	26.6	Very low	127 Å²	127	126.7 Å²	126.7	67%	0.665	68%	0.678	S	S	*	*			cis	-161.3	-164.8	-32.9	-146.3	67.1	0	0	0	107.3
1536	N	24.1	Very low	26.8	Very low	122 Å²	122	126.7 Å²	126.7	65%	0.652	69%	0.687	S	S	*	*			trans	-6.8	133.1	146.4	-54.7	-10.9	0	0	0	118.2
1537	T	23.7	Very low	27	Very low	132 Å²	132	125.3 Å²	125.3	81%	0.81	69%	0.688	S	S	*	*			trans	64.6	155	134.2	57	0	0	0	0	121.8
1538	A	24.1	Very low	27.3	Very low	79 Å²	79	126.7 Å²	126.7	65%	0.653	70%	0.696	S	S	*	*			trans	70.2	97.9	149.4	0	0	0	0	0	118.8
1539	L	26	Very low	27.6	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	70%	0.696	S	S	*	*				71.3	149.4	107.3	-77.7	160.2	0	0	0	122.2
1540	E	26.6	Very low	27.8	Very low	138 Å²	138	125.7 Å²	125.7	65%	0.645	70%	0.696	S	S	*	*			trans	83.5	109.4	144.6	-76.8	165.1	-120.8	0	0	122
1541	N	29.8	Very low	28	Very low	128 Å²	128	125.8 Å²	125.8	68%	0.684	70%	0.695	S	S	*	*				75.3	147.1	128.5	-52.7	-11.1	0	0	0	117
1542	E	29.3	Very low	28.2	Very low	147 Å²	147	125.3 Å²	125.3	69%	0.687	70%	0.697	S	S	*	*			cis	-144.3	177.3	29.8	-99.2	-64.6	86.8	0	0	110.2
1543	P	32.9	Very low	27.9	Very low	88 Å²	88	126.3 Å²	126.3	57%	0.571	70%	0.702	S	S	*	*			cis	-133.1	-178.2	-9	36.1	-17.3	0	0	0	115.3
1544	M	26.8	Very low	28.2	Very low	155 Å²	155	125.5 Å²	125.5	76%	0.764	70%	0.702	S	S	*	*			trans	72	126.5	163.2	-54.9	-62.2	112.8	0	0	117.3
1545	S	27.4	Very low	28.5	Very low	97 Å²	97	123.6 Å²	123.6	68%	0.678	70%	0.704	S	S	*	*			cis	-162	147.1	-1.8	52.6	0	0	0	0	112.2
1546	S	27.8	Very low	28.8	Very low	117 Å²	117	121.4 Å²	121.4	82%	0.818	71%	0.705	S	S	*	*			trans	61.3	136.2	172	59.2	0	0	0	0	118.1
1547	S	29.1	Very low	29	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	71%	0.71	S	S	*	*			cis	-169.5	134.7	-9.2	47.6	0	0	0	0	111.6
1548	T	31.8	Very low	29.1	Very low	127 Å²	127	123.8 Å²	123.8	78%	0.779	71%	0.709	S	S	*	*			trans	62.3	163.5	163.9	60.2	0	0	0	0	118.3
1549	N	31.6	Very low	29.4	Very low	127 Å²	127	125.7 Å²	125.7	68%	0.679	72%	0.718	S	S	*	*			cis	-169	172.8	-19.3	-98.2	10	0	0	0	107.6
1550	N	31	Very low	29.6	Very low	121 Å²	121	122.7 Å²	122.7	65%	0.647	71%	0.71	S	S	*	*			cis	-164.4	163.5	-3.4	-118.4	-0.8	0	0	0	113
1551	I	31.9	Very low	29.7	Very low	134 Å²	134	123.8 Å²	123.8	69%	0.687	71%	0.714	S	S	*	*			trans	63	93.6	143.4	-60.7	165.9	0	0	0	121.7
1552	T	30.3	Very low	29.6	Very low	123 Å²	123	124.2 Å²	124.2	76%	0.755	72%	0.715	S	S	*	*			trans	48.1	178.2	133.8	73.9	0	0	0	0	123.2
1553	T	30.8	Very low	29.7	Very low	112 Å²	112	126.4 Å²	126.4	69%	0.687	73%	0.725	S	S	*	*			cis	-157.4	165.3	2.3	-13	0	0	0	0	114.2
1554	D	30.6	Very low	29.4	Very low	129 Å²	129	124.7 Å²	124.7	69%	0.69	72%	0.724	S	S	*	*			trans	59.9	124.1	142.6	-73.6	7.1	0	0	0	129.5
1555	N	30.4	Very low	29.7	Very low	144 Å²	144	124.5 Å²	124.5	77%	0.77	73%	0.726	S	S	*	*			trans	59.1	153.6	131.4	-61.3	-41.9	0	0	0	123.8
1556	A	29.1	Very low	29.7	Very low	81 Å²	81	126.6 Å²	126.6	67%	0.669	73%	0.729	S	S	*	*			cis	-173.6	-177.4	-24.7	0	0	0	0	0	111.9
1557	I	27.7	Very low	29.9	Very low	151 Å²	151	128.5 Å²	128.5	77%	0.774	73%	0.73	S	S	*	*			trans	90.4	109.5	154.3	-61.4	174.2	0	0	0	122.7
1558	I	26	Very low	29.9	Very low	154 Å²	154	129.3 Å²	129.3	79%	0.79	73%	0.727	S	S	*	*				39.5	126.9	127.9	-51	171.4	0	0	0	122.1
1559	S	31.3	Very low	29.6	Very low	119 Å²	119	129 Å²	129	83%	0.832	72%	0.72	S	S	*	*				-177.4	173.5	107.5	-156	0	0	0	0	114.7
1560	S	29.3	Very low	29.4	Very low	87 Å²	87	131.4 Å²	131.4	61%	0.608	73%	0.733	S	S	*	*			trans	-140.1	155.5	-162.7	76.6	0	0	0	0	115.2
1561	H	29.8	Very low	29.3	Very low	160 Å²	160	128.6 Å²	128.6	74%	0.741	72%	0.72	S	S	*	*				177.4	120.2	128.3	-88.6	-3.2	0	0	0	109.9
1562	I	25.8	Very low	29	Very low	137 Å²	137	126.3 Å²	126.3	70%	0.703	71%	0.712	S	S	*	*				64.8	109.4	87.3	-62.2	174.5	0	0	0	113.6
1563	H	32.1	Very low	28.7	Very low	193 Å²	193	128.5 Å²	128.5	89%	0.894	71%	0.713	S	S	*	*			trans	-159.3	117.3	133.7	-105.4	-66.1	0	0	0	109.7
1564	G	27.1	Very low	28.5	Very low	53 Å²	53	129 Å²	129	55%	0.546	71%	0.711	S	S	.	*			trans	-87.5	159.4	165.9	0	0	0	0	0	111.7
1565	D	32.3	Very low	28.6	Very low	151 Å²	151	129 Å²	129	81%	0.807	72%	0.716	S	S	*	*				158.5	100.7	127.4	-79.6	1.6	0	0	0	113.6
1566	D	29	Very low	28.6	Very low	140 Å²	140	130 Å²	130	75%	0.749	71%	0.714	S	S	*	*			trans	39.3	83.5	136.5	-81.4	20.7	0	0	0	120.1
1567	N	30.8	Very low	28.6	Very low	157 Å²	157	130.4 Å²	130.4	84%	0.84	71%	0.705	S	S	*	*			trans	-125.4	67.3	162.1	-92.8	-84.3	0	0	0	114.5	N1569	N1567-N1569 PolarHBondContact O-N 2.76Å; N1567-N1569 VanDerWaalsContact O-N 3.08Å
1568	N	28.3	Very low	28.7	Very low	115 Å²	115	128.6 Å²	128.6	62%	0.615	70%	0.701	S	S	*	*			trans	-48.4	104.9	163.9	-89.6	-67.9	0	0	0	113.4	K648	K648-N1568 PolarHBondContact NZ-O 3.11Å
1569	N	25.8	Very low	28.9	Very low	121 Å²	121	126.8 Å²	126.8	65%	0.647	70%	0.697	S	S	*	*			trans	161.8	89.7	140.1	-84.6	-28	0	0	0	115.4	N1567	N1567-N1569 PolarHBondContact O-N 2.76Å; N1567-N1569 VanDerWaalsContact O-N 3.08Å
1570	L	28.3	Very low	28.8	Very low	178 Å²	178	123.5 Å²	123.5	93%	0.932	67%	0.67	S	S	*	*			trans	-161.8	55.9	153.2	-152.8	68.3	0	0	0	117.1
1571	T	28.4	Very low	28.8	Very low	61 Å²	61	125.4 Å²	125.4	37%	0.374	67%	0.67	S	S	.	*			trans	-81.3	159.3	171.9	50.1	0	0	0	0	113.5	S1052 N1053	S1052-T1571 VanDerWaalsContact OG-CB 3.28Å; S1052-T1571 WeakPolarHBondContact OG-CB 3.5Å; S1052-T1571 VanDerWaalsContact OG-CG2 3.23Å; S1052-T1571 WeakPolarHBondContact OG-CG2 3.22Å; S1052-T1571 PolarHBondContact OG-OG1 3.42Å; N1053-T1571 PolarHBondContact ND2-O 2.61Å; N1053-T1571 PolarHBondContact ND2-OG1 3Å; N1053-T1571 VanDerWaalsContact ND2-OG1 3.17Å
1572	T	25.5	Very low	28.8	Very low	86 Å²	86	126.2 Å²	126.2	53%	0.528	67%	0.672	S	S	.	*			trans	78.7	71.5	-179.3	63.2	0	0	0	0	118.8	N1053	N1053-T1572 HydrophobicContact CB-CG2 3.62Å
1573	H	25	Very low	29	Very low	170 Å²	170	122.1 Å²	122.1	79%	0.787	66%	0.658	S	S	*	*	S	Bend		-165.3	147.1	127.2	-113.1	-85	0	0	0	111.4
1574	L	26.4	Very low	28.9	Very low	122 Å²	122	119.8 Å²	119.8	64%	0.639	65%	0.645	S	S	*	*	S	Bend	trans	49.2	83	156	-57.5	165.2	0	0	0	117.1	N1577	L1574-N1577 VanDerWaalsContact CD2-ND2 3.29Å; L1574-N1577 WeakPolarHBondContact CD2-ND2 3.45Å
1575	T	31.3	Very low	29	Very low	130 Å²	130	119.7 Å²	119.7	80%	0.798	64%	0.636	S	S	*	*	S	Bend		-133.9	2.4	107.3	41.5	0	0	0	0	114.9	N1577	T1575-N1577 PolarHBondContact O-N 2.96Å
1576	K	31.1	Very low	28.9	Very low	164 Å²	164	117.6 Å²	117.6	71%	0.713	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	40.8	-179.9	-72.3	-173.5	174.8	-178.8	0	115.2	I1580	K1576-I1580 HydrophobicContact CB-CD1 3.81Å; K1576-I1580 HydrophobicContact CG-CD1 4.34Å; K1576-I1580 WeakPolarHBondContact O-CD1 3.41Å
1577	N	28.3	Very low	28.9	Very low	90 Å²	90	117.2 Å²	117.2	48%	0.481	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-133.2	-4	-164.4	-91.8	-3	0	0	0	117	L1574 T1575 M1581	L1574-N1577 VanDerWaalsContact CD2-ND2 3.29Å; L1574-N1577 WeakPolarHBondContact CD2-ND2 3.45Å; T1575-N1577 PolarHBondContact O-N 2.96Å; N1577-M1581 WeakPolarHBondContact O-CE 3.4Å; N1577-M1581 VanDerWaalsContact O-CG 3.23Å; N1577-M1581 WeakPolarHBondContact O-CG 3.42Å
1578	T	30.3	Very low	29	Very low	113 Å²	113	117.9 Å²	117.9	69%	0.693	62%	0.617	S	S	*	*	S	Bend	trans	-110.1	-54.2	-179.8	38	0	0	0	0	113.4	M1581	T1578-M1581 WeakPolarHBondContact O-CB 3.49Å; T1578-M1581 PolarHBondContact O-N 3.07Å
1579	T	30.1	Very low	29	Very low	115 Å²	115	120.6 Å²	120.6	71%	0.706	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-34	175	47.3	0	0	0	0	112.6	M1581 K1582	T1579-M1581 PolarHBondContact O-N 3.18Å; T1579-K1582 PolarHBondContact O-N 3.14Å; T1579-K1582 VanDerWaalsContact O-N 3.07Å
1580	I	30	Very low	29.2	Very low	51 Å²	51	120.1 Å²	120.1	26%	0.262	63%	0.626	S	S	.	*	H	α-helix	trans	-60.3	-16.3	173.3	-82.7	166.2	0	0	0	113.1	K1576 K1584	K1576-I1580 HydrophobicContact CB-CD1 3.81Å; K1576-I1580 HydrophobicContact CG-CD1 4.34Å; K1576-I1580 WeakPolarHBondContact O-CD1 3.41Å; I1580-K1584 HydrophobicContact CG2-CD 3.6Å; I1580-K1584 HydrophobicContact CG2-CG 4.13Å; I1580-K1584 WeakPolarHBondContact O-CB 3.47Å; I1580-K1584 PolarHBondContact O-N 3.21Å
1581	M	29.7	Very low	29.3	Very low	127 Å²	127	119.5 Å²	119.5	63%	0.626	61%	0.613	S	S	*	*	H	α-helix	trans	-72.2	-29.3	173.7	-65.7	-67.1	-171.8	0	0	113.8	N1577 T1578 T1579 S1585	N1577-M1581 WeakPolarHBondContact O-CE 3.4Å; N1577-M1581 VanDerWaalsContact O-CG 3.23Å; N1577-M1581 WeakPolarHBondContact O-CG 3.42Å; T1578-M1581 WeakPolarHBondContact O-CB 3.49Å; T1578-M1581 PolarHBondContact O-N 3.07Å; T1579-M1581 PolarHBondContact O-N 3.18Å; M1581-S1585 PolarHBondContact O-N 2.96Å; M1581-S1585 PolarHBondContact O-OG 2.88Å
1582	K	29.4	Very low	29.5	Very low	177 Å²	177	120.5 Å²	120.5	77%	0.77	62%	0.616	S	S	*	*	H	α-helix	trans	-85.2	-18.4	176.6	-69.4	-173.6	177.3	-178.4	0	113.4	T1579 S1585	T1579-K1582 PolarHBondContact O-N 3.14Å; T1579-K1582 VanDerWaalsContact O-N 3.07Å; K1582-S1585 PolarHBondContact O-OG 3.06Å
1583	A	29.1	Very low	29.9	Very low	50 Å²	50	126.3 Å²	126.3	41%	0.413	63%	0.634	S	S	.	*	H	α-helix	trans	-88.4	-40.2	172.7	0	0	0	0	0	112.7	S1585 N1586 I1587	A1583-S1585 VanDerWaalsContact C-N 3.27Å; A1583-S1585 PolarHBondContact O-N 2.91Å; A1583-N1586 PolarHBondContact O-N 3.47Å; A1583-N1586 VanDerWaalsContact O-N 3.07Å; A1583-I1587 PolarHBondContact O-N 2.92Å
1584	K	31.1	Very low	30.6	Very low	144 Å²	144	127 Å²	127	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-78.9	-4.8	179	-67.9	-177.4	-177.6	165.5	0	114.2	I1580	I1580-K1584 HydrophobicContact CG2-CD 3.6Å; I1580-K1584 HydrophobicContact CG2-CG 4.13Å; I1580-K1584 WeakPolarHBondContact O-CB 3.47Å; I1580-K1584 PolarHBondContact O-N 3.21Å
1585	S	29.3	Very low	31.1	Very low	51 Å²	51	125.5 Å²	125.5	36%	0.357	62%	0.623	S	S	.	*	H	α-helix	trans	-73.6	-40.5	158.8	52.7	0	0	0	0	112	M1581 K1582 A1583 K1588	M1581-S1585 PolarHBondContact O-N 2.96Å; M1581-S1585 PolarHBondContact O-OG 2.88Å; K1582-S1585 PolarHBondContact O-OG 3.06Å; A1583-S1585 VanDerWaalsContact C-N 3.27Å; A1583-S1585 PolarHBondContact O-N 2.91Å; S1585-K1588 WeakPolarHBondContact O-CB 3.12Å
1586	N	29	Very low	31.6	Very low	108 Å²	108	128.2 Å²	128.2	58%	0.578	63%	0.626	S	S	*	*	H	α-helix	trans	-91.5	-28.7	-167.4	-68.2	9.8	0	0	0	113.7	A1583 K1588 Y1589	A1583-N1586 PolarHBondContact O-N 3.47Å; A1583-N1586 VanDerWaalsContact O-N 3.07Å; N1586-K1588 PolarHBondContact O-N 3.02Å; N1586-Y1589 PolarHBondContact O-N 3.35Å
1587	I	30	Very low	32.4	Very low	132 Å²	132	128.3 Å²	128.3	68%	0.677	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	168.2	-67.8	169.5	0	0	0	111.5	A1583 Y1589	A1583-I1587 PolarHBondContact O-N 2.92Å; I1587-Y1589 PolarHBondContact O-N 3.45Å
1588	K	32.8	Very low	34.5	Very low	171 Å²	171	127.1 Å²	127.1	74%	0.743	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-8.1	173.5	-139.4	173.6	-172	176	0	114.6	S1585 N1586	S1585-K1588 WeakPolarHBondContact O-CB 3.12Å; N1586-K1588 PolarHBondContact O-N 3.02Å
1589	Y	28.6	Very low	36.9	Very low	171 Å²	171	125.8 Å²	125.8	67%	0.671	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	-15.4	-177.7	-79.1	-82.6	0	0	0	115.1	N1586 I1587 Y1591 N1592	N1586-Y1589 PolarHBondContact O-N 3.35Å; I1587-Y1589 PolarHBondContact O-N 3.45Å; Y1589-Y1591 PolarHBondContact O-N 3.12Å; Y1589-N1592 WeakPolarHBondContact CA-ND2 3.4Å; Y1589-N1592 PolarHBondContact O-ND2 3.27Å
1590	S	30.1	Very low	39.5	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-80.3	-10.4	-174.9	-148.5	0	0	0	0	115.3	N1592	S1590-N1592 VanDerWaalsContact C-N 3.27Å; S1590-N1592 PolarHBondContact O-N 3.44Å
1591	Y	29.3	Very low	42.2	Very low	165 Å²	165	122.9 Å²	122.9	65%	0.647	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-84.2	5.8	175.3	-149.8	-97.8	0	0	0	113.6	Y1589 F1595	Y1589-Y1591 PolarHBondContact O-N 3.12Å; Y1591-F1595 HydrophobicContact CD1-CD2 4.2Å; Y1591-F1595 AromaticContact CD1-CE2 3.98Å; Y1591-F1595 HydrophobicContact CD1-CE2 3.98Å; Y1591-F1595 HydrophobicContact CE1-CE2 4.06Å
1592	N	33.1	Very low	44.8	Very low	82 Å²	82	121.7 Å²	121.7	44%	0.439	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-83.8	-13.1	-169.1	-75.9	-57.5	0	0	0	115.7	Y1589 S1590 K1594 F1595	Y1589-N1592 WeakPolarHBondContact CA-ND2 3.4Å; Y1589-N1592 PolarHBondContact O-ND2 3.27Å; S1590-N1592 VanDerWaalsContact C-N 3.27Å; S1590-N1592 PolarHBondContact O-N 3.44Å; N1592-K1594 PolarHBondContact O-N 2.82Å; N1592-F1595 PolarHBondContact O-N 3.46Å
1593	K	33.5	Very low	47.4	Very low	208 Å²	208	117.7 Å²	117.7	90%	0.904	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-66.1	-11.9	-172.3	-135.7	174.4	-176.5	-178.6	0	114.6
1594	K	39.1	Very low	50.2	Low	184 Å²	184	117 Å²	117	80%	0.8	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-106.6	1.8	171.8	-95.7	172.5	178.6	165.7	0	114.9	N1592	N1592-K1594 PolarHBondContact O-N 2.82Å
1595	F	38.8	Very low	52.8	Low	91 Å²	91	117.2 Å²	117.2	40%	0.399	56%	0.562	S	S	.	*			trans	-108.6	11.8	-161.5	-105.5	-67.2	0	0	0	118	Y1591 N1592 R1597 L1598	Y1591-F1595 HydrophobicContact CD1-CD2 4.2Å; Y1591-F1595 AromaticContact CD1-CE2 3.98Å; Y1591-F1595 HydrophobicContact CD1-CE2 3.98Å; Y1591-F1595 HydrophobicContact CE1-CE2 4.06Å; N1592-F1595 PolarHBondContact O-N 3.46Å; F1595-R1597 PolarHBondContact O-N 3.48Å; F1595-L1598 HydrophobicContact CD1-CD1 3.74Å; F1595-L1598 HydrophobicContact CD1-CG 4.16Å; F1595-L1598 HydrophobicContact CE1-CD1 3.57Å; F1595-L1598 HydrophobicContact CE1-CG 4.36Å
1596	Q	40.6	Very low	55.4	Low	187 Å²	187	119.9 Å²	119.9	87%	0.874	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	17.2	-167.8	-67.1	-175.9	-19.4	0	0	119.2
1597	R	48.4	Very low	58.1	Low	166 Å²	166	119.2 Å²	119.2	63%	0.626	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	30.4	178.9	-71.4	-166.5	171.3	105.4	4.3	115.9	L1313 F1595	L1313-R1597 HydrophobicContact CD1-CB 4.1Å; F1595-R1597 PolarHBondContact O-N 3.48Å
1598	L	72.3	Confident	60.6	Low	66 Å²	66	114.9 Å²	114.9	35%	0.346	54%	0.543	S	S	.	.			trans	-112.9	148	169.3	-65.9	-171.3	0	0	0	112.6	F1595 T1609	F1595-L1598 HydrophobicContact CD1-CD1 3.74Å; F1595-L1598 HydrophobicContact CD1-CG 4.16Å; F1595-L1598 HydrophobicContact CE1-CD1 3.57Å; F1595-L1598 HydrophobicContact CE1-CG 4.36Å; L1598-T1609 HydrophobicContact CD2-CG2 3.66Å
1599	F	80.7	Confident	63	Low	84 Å²	84	109.1 Å²	109.1	37%	0.368	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	178.3	-61.5	-90.3	0	0	0	109.7	T1607 F1608 N1611 L1614	F1599-T1607 CarbonylContact O-C 3.57Å; F1599-T1607 WeakPolarHBondContact O-CA 3.38Å; F1599-F1608 PolarHBondContact N-O 2.98Å; F1599-F1608 PolarHBondContact O-N 3.1Å; F1599-N1611 HydrophobicContact CD1-CB 3.74Å; F1599-N1611 HydrophobicContact CD2-CB 4.29Å; F1599-N1611 VanDerWaalsContact CD2-N 3.28Å; F1599-N1611 HydrophobicContact CE1-CB 3.62Å; F1599-N1611 HydrophobicContact CE2-CB 4.19Å; F1599-N1611 HydrophobicContact CG-CB 4.09Å; F1599-N1611 HydrophobicContact CZ-CB 3.86Å; F1599-L1614 HydrophobicContact CB-CB 4.13Å; F1599-L1614 HydrophobicContact CB-CD2 3.8Å
1600	N	83.6	Confident	65.6	Low	106 Å²	106	104.7 Å²	104.7	57%	0.567	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.5	-178.3	55.5	-25.2	0	0	0	111.7	T1607 L1614	N1600-T1607 HydrophobicContact CB-CG2 4.48Å; N1600-L1614 WeakPolarHBondContact O-CD2 3.1Å
1601	C	87.8	Confident	68.3	Low	0 Å²	0	102.9 Å²	102.9	0%	0	49%	0.488	C	S	.	.			trans	-80	121.6	169.5	-177.9	0	0	0	0	110.4	I1603 H1605 K1606 F1608 L1614 H1621	C1601-I1603 VanDerWaalsContact C-N 3.31Å; C1601-I1603 PolarHBondContact O-N 3.4Å; C1601-H1605 WeakPolarHBondContact O-CA 3.41Å; C1601-H1605 PolarHBondContact O-N 2.65Å; C1601-K1606 PolarHBondContact N-O 3.49Å; C1601-F1608 HydrophobicContact CB-CE2 4.25Å; C1601-L1614 VanDerWaalsContact CA-CD1 3.47Å; C1601-L1614 HydrophobicContact CB-CD1 3.47Å; C1601-L1614 VanDerWaalsContact CB-CD1 3.47Å; C1601-H1621 VanDerWaalsContact SG-CD2 3.53Å; C1601-H1621 PolarHBondContact SG-NE2 3.09Å
1602	T	83.9	Confident	71	Confident	101 Å²	101	98.9 Å²	98.9	62%	0.62	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-43.7	176.6	50.4	0	0	0	0	112	C1604 H1605	T1602-C1604 PolarHBondContact O-N 2.64Å; T1602-H1605 PolarHBondContact O-CE1 3.44Å; T1602-H1605 PolarHBondContact O-ND1 2.68Å
1603	I	85.3	Confident	73.6	Confident	94 Å²	94	96.2 Å²	96.2	48%	0.482	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-21.5	-171.2	-59.3	167.4	0	0	0	113.8	C1601 H1621	C1601-I1603 VanDerWaalsContact C-N 3.31Å; C1601-I1603 PolarHBondContact O-N 3.4Å; I1603-H1621 HydrophobicContact CB-CB 4.44Å; I1603-H1621 HydrophobicContact CD1-CB 3.62Å; I1603-H1621 HydrophobicContact CG2-CB 4.06Å
1604	C	87.7	Confident	76.2	Confident	35 Å²	35	86.9 Å²	86.9	24%	0.236	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.5	15	179.4	74.9	0	0	0	0	116.3	T1602 K1606 H1617 H1621	T1602-C1604 PolarHBondContact O-N 2.64Å; C1604-K1606 PolarHBondContact O-N 2.97Å; C1604-K1606 PolarHBondContact SG-NZ 3.27Å; C1604-H1617 PolarHBondContact SG-NE2 2.98Å; C1604-H1621 WeakPolarHBondContact CB-CE1 3.26Å; C1604-H1621 PolarHBondContact SG-CE1 2.87Å; C1604-H1621 PolarHBondContact SG-NE2 3.29Å
1605	H	84.8	Confident	78.5	Confident	149 Å²	149	82 Å²	82	69%	0.69	41%	0.414	S	S	*	.			trans	53.6	18.7	173.1	-43.2	-51.6	0	0	0	116.5	C1601 T1602	C1601-H1605 WeakPolarHBondContact O-CA 3.41Å; C1601-H1605 PolarHBondContact O-N 2.65Å; T1602-H1605 PolarHBondContact O-CE1 3.44Å; T1602-H1605 PolarHBondContact O-ND1 2.68Å
1606	K	84.4	Confident	80.8	Confident	107 Å²	107	83.1 Å²	83.1	47%	0.465	42%	0.415	S	S	.	.			trans	-71.2	134.9	170.2	-66.1	-173.1	-168.2	83.4	0	109.9	C1601 C1604 F1608	C1601-K1606 PolarHBondContact N-O 3.49Å; C1604-K1606 PolarHBondContact O-N 2.97Å; C1604-K1606 PolarHBondContact SG-NZ 3.27Å; K1606-F1608 HydrophobicContact CB-CE2 3.61Å; K1606-F1608 HydrophobicContact CB-CZ 3.87Å; K1606-F1608 WeakPolarHBondContact O-CD2 3.32Å; K1606-F1608 VanDerWaalsContact O-CE2 3.27Å; K1606-F1608 WeakPolarHBondContact O-CE2 3.36Å
1607	T	85.5	Confident	83	Confident	93 Å²	93	75.2 Å²	75.2	57%	0.571	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	142.8	178.9	51.9	0	0	0	0	111.8	F1599 N1600	F1599-T1607 CarbonylContact O-C 3.57Å; F1599-T1607 WeakPolarHBondContact O-CA 3.38Å; N1600-T1607 HydrophobicContact CB-CG2 4.48Å
1608	F	83.3	Confident	84.9	Confident	42 Å²	42	69.5 Å²	69.5	18%	0.184	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.8	-174	-64.7	-87.9	0	0	0	111.4	F1599 C1601 K1606 K1610 L1614 H1617	F1599-F1608 PolarHBondContact N-O 2.98Å; F1599-F1608 PolarHBondContact O-N 3.1Å; C1601-F1608 HydrophobicContact CB-CE2 4.25Å; K1606-F1608 HydrophobicContact CB-CE2 3.61Å; K1606-F1608 HydrophobicContact CB-CZ 3.87Å; K1606-F1608 WeakPolarHBondContact O-CD2 3.32Å; K1606-F1608 VanDerWaalsContact O-CE2 3.27Å; K1606-F1608 WeakPolarHBondContact O-CE2 3.36Å; F1608-K1610 PolarHBondContact O-N 3.47Å; F1608-L1614 HydrophobicContact CB-CB 4.25Å; F1608-L1614 HydrophobicContact CD2-CB 4.11Å; F1608-L1614 HydrophobicContact CD2-CD1 3.86Å; F1608-L1614 HydrophobicContact CE2-CD1 4.1Å; F1608-L1614 HydrophobicContact CG-CB 4.3Å; F1608-H1617 HydrophobicContact CE1-CB 4.05Å; F1608-H1617 HydrophobicContact CE2-CB 4.22Å; F1608-H1617 AromaticContact CE2-CD2 3.3Å; F1608-H1617 WeakPolarHBondContact CE2-CD2 3.47Å; F1608-H1617 AromaticContact CE2-CG 3.98Å; F1608-H1617 HydrophobicContact CZ-CB 3.68Å; F1608-H1617 AromaticContact CZ-CD2 3.19Å; F1608-H1617 WeakPolarHBondContact CZ-CD2 3.22Å; F1608-H1617 AromaticContact CZ-CG 3.46Å; F1608-H1617 VanDerWaalsContact CZ-CG 3.46Å; F1608-H1617 AromaticContact CZ-NE2 4Å
1609	T	83.3	Confident	85.8	Confident	50 Å²	50	70.3 Å²	70.3	31%	0.307	36%	0.357	S	S	.	.	S	Bend	trans	-78.9	10.9	179.7	51	0	0	0	0	114.3	K1314 L1598	K1314-T1609 VanDerWaalsContact CE-OG1 3.25Å; K1314-T1609 WeakPolarHBondContact CE-OG1 3.36Å; K1314-T1609 HydrophobicContact CG-CG2 4.1Å; L1598-T1609 HydrophobicContact CD2-CG2 3.66Å
1610	K	81.5	Confident	86	Confident	78 Å²	78	71.4 Å²	71.4	34%	0.339	37%	0.366	S	S	.	.	S	Bend	trans	-158	137.4	175.4	-60.9	-173.3	-175.3	-172.4	0	109.9	F1608 S1612 S1613 L1614	F1608-K1610 PolarHBondContact O-N 3.47Å; K1610-S1612 VanDerWaalsContact C-N 3.31Å; K1610-S1612 PolarHBondContact O-N 2.82Å; K1610-S1613 WeakPolarHBondContact O-CB 3.45Å; K1610-S1613 PolarHBondContact O-N 2.86Å; K1610-L1614 PolarHBondContact O-N 3.27Å
1611	N	86.9	Confident	86.1	Confident	73 Å²	73	69.4 Å²	69.4	39%	0.39	35%	0.353	S	S	.	.	H	α-helix	trans	-57.2	-42.9	171.3	-163.4	5.3	0	0	0	112	F1599 S1613 L1614 I1615	F1599-N1611 HydrophobicContact CD1-CB 3.74Å; F1599-N1611 HydrophobicContact CD2-CB 4.29Å; F1599-N1611 VanDerWaalsContact CD2-N 3.28Å; F1599-N1611 HydrophobicContact CE1-CB 3.62Å; F1599-N1611 HydrophobicContact CE2-CB 4.19Å; F1599-N1611 HydrophobicContact CG-CB 4.09Å; F1599-N1611 HydrophobicContact CZ-CB 3.86Å; N1611-S1613 PolarHBondContact O-N 3.48Å; N1611-L1614 CarbonylContact O-C 3.6Å; N1611-L1614 WeakPolarHBondContact O-CA 3.38Å; N1611-L1614 WeakPolarHBondContact O-CB 3.41Å; N1611-L1614 PolarHBondContact O-N 3.3Å; N1611-I1615 PolarHBondContact O-N 3.36Å
1612	S	86.6	Confident	86	Confident	80 Å²	80	73.9 Å²	73.9	56%	0.559	38%	0.377	S	S	*	.	H	α-helix	trans	-64.2	-9.8	175.3	59.9	0	0	0	0	115.2	K1610 R1616	K1610-S1612 VanDerWaalsContact C-N 3.31Å; K1610-S1612 PolarHBondContact O-N 2.82Å; S1612-R1616 WeakPolarHBondContact O-CB 3.48Å
1613	S	87.2	Confident	85.9	Confident	26 Å²	26	79.1 Å²	79.1	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-93.9	-26.3	168.3	-61.7	0	0	0	0	112.9	K1610 N1611 H1617	K1610-S1613 WeakPolarHBondContact O-CB 3.45Å; K1610-S1613 PolarHBondContact O-N 2.86Å; N1611-S1613 PolarHBondContact O-N 3.48Å; S1613-H1617 WeakPolarHBondContact O-CB 3.44Å; S1613-H1617 PolarHBondContact O-N 3.42Å
1614	L	88.8	Confident	85.8	Confident	13 Å²	13	78.9 Å²	78.9	7%	0.068	38%	0.384	C	S	.	.	H	α-helix	trans	-70.1	-56.2	169.1	173.5	58.5	0	0	0	111.2	F1599 N1600 C1601 F1608 K1610 N1611 R1616 H1617 E1618	F1599-L1614 HydrophobicContact CB-CB 4.13Å; F1599-L1614 HydrophobicContact CB-CD2 3.8Å; N1600-L1614 WeakPolarHBondContact O-CD2 3.1Å; C1601-L1614 VanDerWaalsContact CA-CD1 3.47Å; C1601-L1614 HydrophobicContact CB-CD1 3.47Å; C1601-L1614 VanDerWaalsContact CB-CD1 3.47Å; F1608-L1614 HydrophobicContact CB-CB 4.25Å; F1608-L1614 HydrophobicContact CD2-CB 4.11Å; F1608-L1614 HydrophobicContact CD2-CD1 3.86Å; F1608-L1614 HydrophobicContact CE2-CD1 4.1Å; F1608-L1614 HydrophobicContact CG-CB 4.3Å; K1610-L1614 PolarHBondContact O-N 3.27Å; N1611-L1614 CarbonylContact O-C 3.6Å; N1611-L1614 WeakPolarHBondContact O-CA 3.38Å; N1611-L1614 WeakPolarHBondContact O-CB 3.41Å; N1611-L1614 PolarHBondContact O-N 3.3Å; L1614-R1616 PolarHBondContact O-N 3.19Å; L1614-R1616 VanDerWaalsContact O-N 3.13Å; L1614-H1617 CarbonylContact O-C 3.6Å; L1614-H1617 VanDerWaalsContact O-CA 3.29Å; L1614-H1617 WeakPolarHBondContact O-CA 3.46Å; L1614-H1617 VanDerWaalsContact O-CB 3.27Å; L1614-H1617 WeakPolarHBondContact O-CB 3.25Å; L1614-H1617 PolarHBondContact O-N 2.94Å; L1614-E1618 HydrophobicContact CD1-CG 3.91Å; L1614-E1618 VanDerWaalsContact CD1-OE1 3.29Å; L1614-E1618 WeakPolarHBondContact CD1-OE1 3.14Å; L1614-E1618 HydrophobicContact CG-CG 4.36Å; L1614-E1618 WeakPolarHBondContact CG-OE1 3.43Å; L1614-E1618 PolarHBondContact O-N 3.24Å
1615	I	87	Confident	85.9	Confident	80 Å²	80	81.8 Å²	81.8	41%	0.41	39%	0.393	S	S	.	.	H	α-helix	trans	-53	-41.2	178.7	-64.1	164.2	0	0	0	111.6	N1611 H1617 E1618 R1619	N1611-I1615 PolarHBondContact O-N 3.36Å; I1615-H1617 VanDerWaalsContact C-N 3.3Å; I1615-H1617 PolarHBondContact O-N 2.98Å; I1615-E1618 WeakPolarHBondContact CA-OE2 3.27Å; I1615-E1618 PolarHBondContact O-N 3.39Å; I1615-R1619 PolarHBondContact O-N 3.42Å
1616	R	87.7	Confident	86	Confident	116 Å²	116	77.8 Å²	77.8	44%	0.438	38%	0.38	S	S	.	.	H	α-helix	trans	-71.6	-22.7	177.4	-171	177	67.4	152	-9.7	113.4	S1612 L1614 Q1638	S1612-R1616 WeakPolarHBondContact O-CB 3.48Å; L1614-R1616 PolarHBondContact O-N 3.19Å; L1614-R1616 VanDerWaalsContact O-N 3.13Å; R1616-Q1638 VanDerWaalsContact CD-OE1 3.31Å; R1616-Q1638 HydrophobicContact CG-CG 4.14Å
1617	H	87.4	Confident	86.3	Confident	20 Å²	20	75.8 Å²	75.8	9%	0.093	37%	0.371	C	S	.	.	H	α-helix	trans	-82.2	-37.5	171.1	170.6	41	0	0	0	111.9	C1604 F1608 S1613 L1614 I1615 R1619 I1620 H1621	C1604-H1617 PolarHBondContact SG-NE2 2.98Å; F1608-H1617 HydrophobicContact CE1-CB 4.05Å; F1608-H1617 HydrophobicContact CE2-CB 4.22Å; F1608-H1617 AromaticContact CE2-CD2 3.3Å; F1608-H1617 WeakPolarHBondContact CE2-CD2 3.47Å; F1608-H1617 AromaticContact CE2-CG 3.98Å; F1608-H1617 HydrophobicContact CZ-CB 3.68Å; F1608-H1617 AromaticContact CZ-CD2 3.19Å; F1608-H1617 WeakPolarHBondContact CZ-CD2 3.22Å; F1608-H1617 AromaticContact CZ-CG 3.46Å; F1608-H1617 VanDerWaalsContact CZ-CG 3.46Å; F1608-H1617 AromaticContact CZ-NE2 4Å; S1613-H1617 WeakPolarHBondContact O-CB 3.44Å; S1613-H1617 PolarHBondContact O-N 3.42Å; L1614-H1617 CarbonylContact O-C 3.6Å; L1614-H1617 VanDerWaalsContact O-CA 3.29Å; L1614-H1617 WeakPolarHBondContact O-CA 3.46Å; L1614-H1617 VanDerWaalsContact O-CB 3.27Å; L1614-H1617 WeakPolarHBondContact O-CB 3.25Å; L1614-H1617 PolarHBondContact O-N 2.94Å; I1615-H1617 VanDerWaalsContact C-N 3.3Å; I1615-H1617 PolarHBondContact O-N 2.98Å; H1617-R1619 VanDerWaalsContact C-N 3.28Å; H1617-R1619 PolarHBondContact O-N 2.96Å; H1617-I1620 WeakPolarHBondContact O-CA 3.33Å; H1617-I1620 WeakPolarHBondContact O-CB 3.38Å; H1617-I1620 WeakPolarHBondContact O-CG1 3.11Å; H1617-I1620 PolarHBondContact O-N 3.13Å; H1617-H1621 AromaticContact CD2-NE2 3.2Å; H1617-H1621 PolarHBondContact CD2-NE2 2.77Å; H1617-H1621 AromaticContact CE1-CD2 3.97Å; H1617-H1621 AromaticContact CE1-CE1 3.88Å; H1617-H1621 AromaticContact CE1-NE2 2.81Å; H1617-H1621 PolarHBondContact CE1-NE2 3.26Å; H1617-H1621 AromaticContact ND1-NE2 3.81Å; H1617-H1621 AromaticContact NE2-CD2 3.95Å; H1617-H1621 AromaticContact NE2-NE2 2.31Å; H1617-H1621 PolarHBondContact NE2-NE2 3.43Å
1618	E	87.6	Confident	86.4	Confident	47 Å²	47	74.8 Å²	74.8	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-33	179.4	-72.1	162.2	154.9	0	0	112.3	L1614 I1615 I1620 H1621 N1622	L1614-E1618 HydrophobicContact CD1-CG 3.91Å; L1614-E1618 VanDerWaalsContact CD1-OE1 3.29Å; L1614-E1618 WeakPolarHBondContact CD1-OE1 3.14Å; L1614-E1618 HydrophobicContact CG-CG 4.36Å; L1614-E1618 WeakPolarHBondContact CG-OE1 3.43Å; L1614-E1618 PolarHBondContact O-N 3.24Å; I1615-E1618 WeakPolarHBondContact CA-OE2 3.27Å; I1615-E1618 PolarHBondContact O-N 3.39Å; E1618-I1620 PolarHBondContact O-N 2.91Å; E1618-H1621 PolarHBondContact O-N 3.32Å; E1618-N1622 PolarHBondContact O-N 3.44Å; E1618-N1622 PolarHBondContact O-OD1 2.97Å
1619	R	90.1	Very high	86.9	Confident	82 Å²	82	72.8 Å²	72.8	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-49.9	-24.2	165	-71.5	179.9	-175.8	-163.3	-5.8	114.6	I1615 H1617 R1623 I1624 T1637	I1615-R1619 PolarHBondContact O-N 3.42Å; H1617-R1619 VanDerWaalsContact C-N 3.28Å; H1617-R1619 PolarHBondContact O-N 2.96Å; R1619-R1623 CarbonylContact O-C 3.48Å; R1619-R1623 WeakPolarHBondContact O-CA 3.14Å; R1619-R1623 PolarHBondContact O-N 2.82Å; R1619-I1624 HydrophobicContact CG-CB 4.43Å; R1619-I1624 PolarHBondContact O-N 3.42Å; R1619-I1624 VanDerWaalsContact O-N 3.1Å; R1619-T1637 PolarHBondContact NH1-O 2.94Å
1620	I	86.7	Confident	87.1	Confident	108 Å²	108	78.8 Å²	78.8	55%	0.554	38%	0.381	S	S	*	.	H	α-helix	trans	-79.8	-33.7	176.6	-51.9	176.6	0	0	0	111.2	H1617 E1618	H1617-I1620 WeakPolarHBondContact O-CA 3.33Å; H1617-I1620 WeakPolarHBondContact O-CB 3.38Å; H1617-I1620 WeakPolarHBondContact O-CG1 3.11Å; H1617-I1620 PolarHBondContact O-N 3.13Å; E1618-I1620 PolarHBondContact O-N 2.91Å
1621	H	85.7	Confident	87.2	Confident	63 Å²	63	82.8 Å²	82.8	29%	0.292	40%	0.395	S	S	.	.	H	α-helix	trans	-76.9	-51.4	176.7	-62.4	-57.9	0	0	0	111	C1601 I1603 C1604 H1617 E1618 R1623	C1601-H1621 VanDerWaalsContact SG-CD2 3.53Å; C1601-H1621 PolarHBondContact SG-NE2 3.09Å; I1603-H1621 HydrophobicContact CB-CB 4.44Å; I1603-H1621 HydrophobicContact CD1-CB 3.62Å; I1603-H1621 HydrophobicContact CG2-CB 4.06Å; C1604-H1621 WeakPolarHBondContact CB-CE1 3.26Å; C1604-H1621 PolarHBondContact SG-CE1 2.87Å; C1604-H1621 PolarHBondContact SG-NE2 3.29Å; H1617-H1621 AromaticContact CD2-NE2 3.2Å; H1617-H1621 PolarHBondContact CD2-NE2 2.77Å; H1617-H1621 AromaticContact CE1-CD2 3.97Å; H1617-H1621 AromaticContact CE1-CE1 3.88Å; H1617-H1621 AromaticContact CE1-NE2 2.81Å; H1617-H1621 PolarHBondContact CE1-NE2 3.26Å; H1617-H1621 AromaticContact ND1-NE2 3.81Å; H1617-H1621 AromaticContact NE2-CD2 3.95Å; H1617-H1621 AromaticContact NE2-NE2 2.31Å; H1617-H1621 PolarHBondContact NE2-NE2 3.43Å; E1618-H1621 PolarHBondContact O-N 3.32Å; H1621-R1623 PolarHBondContact O-N 3.04Å
1622	N	83.7	Confident	87.4	Confident	95 Å²	95	82.1 Å²	82.1	51%	0.508	40%	0.395	S	S	.	.	S	Bend	trans	-70.8	-0.8	177.9	-55.1	31.2	0	0	0	112.2	E1618 I1624	E1618-N1622 PolarHBondContact O-N 3.44Å; E1618-N1622 PolarHBondContact O-OD1 2.97Å; N1622-I1624 HydrophobicContact CB-CD1 3.74Å; N1622-I1624 HydrophobicContact CB-CG1 3.81Å; N1622-I1624 PolarHBondContact O-N 3.31Å
1623	R	83.4	Confident	87.5	Confident	211 Å²	211	80.8 Å²	80.8	80%	0.796	39%	0.394	S	S	*	.			trans	59	3.6	-177.4	-51	-176.2	-175.7	-177.7	4.5	116.1	R1619 H1621 K1625	R1619-R1623 CarbonylContact O-C 3.48Å; R1619-R1623 WeakPolarHBondContact O-CA 3.14Å; R1619-R1623 PolarHBondContact O-N 2.82Å; H1621-R1623 PolarHBondContact O-N 3.04Å; R1623-K1625 WeakPolarHBondContact O-CD 3.1Å; R1623-K1625 WeakPolarHBondContact O-CG 3.33Å; R1623-K1625 PolarHBondContact O-N 2.95Å
1624	I	83.1	Confident	87.5	Confident	88 Å²	88	80.8 Å²	80.8	45%	0.451	40%	0.396	S	S	.	.			trans	-59.2	114	-177.6	-56.5	171	0	0	0	111.4	R1619 N1622 P1626	R1619-I1624 HydrophobicContact CG-CB 4.43Å; R1619-I1624 PolarHBondContact O-N 3.42Å; R1619-I1624 VanDerWaalsContact O-N 3.1Å; N1622-I1624 HydrophobicContact CB-CD1 3.74Å; N1622-I1624 HydrophobicContact CB-CG1 3.81Å; N1622-I1624 PolarHBondContact O-N 3.31Å; I1624-P1626 HydrophobicContact CG2-CB 4.5Å; I1624-P1626 HydrophobicContact CG2-CG 4.47Å; I1624-P1626 WeakPolarHBondContact O-CD 3.43Å
1625	K	88.5	Confident	87.6	Confident	96 Å²	96	82.1 Å²	82.1	42%	0.417	41%	0.406	S	S	.	.			trans	-122.8	75.7	-178.1	-73	143.2	103.6	-88.8	0	109.8	R1623 F1627 S1635 F1636 T1637	R1623-K1625 WeakPolarHBondContact O-CD 3.1Å; R1623-K1625 WeakPolarHBondContact O-CG 3.33Å; R1623-K1625 PolarHBondContact O-N 2.95Å; K1625-F1627 PolarHBondContact O-N 2.89Å; K1625-F1627 VanDerWaalsContact O-N 3.16Å; K1625-S1635 WeakPolarHBondContact CE-O 3.43Å; K1625-S1635 PolarHBondContact NZ-O 2.94Å; K1625-S1635 PolarHBondContact NZ-OG 3.26Å; K1625-F1636 CarbonylContact C-O 3.6Å; K1625-F1636 VanDerWaalsContact CA-O 3.26Å; K1625-F1636 WeakPolarHBondContact CA-O 3.19Å; K1625-T1637 HydrophobicContact CG-CG2 3.8Å
1626	P	88.4	Confident	87.8	Confident	66 Å²	66	80.7 Å²	80.7	43%	0.429	40%	0.397	S	S	.	.			trans	-82.9	10.4	-163.3	35.8	-35.8	0	0	0	114.4	I1624 F1636	I1624-P1626 HydrophobicContact CG2-CB 4.5Å; I1624-P1626 HydrophobicContact CG2-CG 4.47Å; I1624-P1626 WeakPolarHBondContact O-CD 3.43Å; P1626-F1636 WeakPolarHBondContact CD-O 3.44Å
1627	F	89.4	Confident	87.8	Confident	64 Å²	64	76.8 Å²	76.8	28%	0.281	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101.7	176.3	-57.3	-76.7	0	0	0	107.9	K1625 S1635 F1636 S1639 L1642	K1625-F1627 PolarHBondContact O-N 2.89Å; K1625-F1627 VanDerWaalsContact O-N 3.16Å; F1627-S1635 CarbonylContact O-C 3.52Å; F1627-S1635 WeakPolarHBondContact O-CA 3.12Å; F1627-F1636 HydrophobicContact CB-CB 4.43Å; F1627-F1636 PolarHBondContact N-O 3.42Å; F1627-F1636 PolarHBondContact O-N 3.31Å; F1627-S1639 VanDerWaalsContact CD2-N 3.33Å; F1627-L1642 HydrophobicContact CB-CB 4.04Å; F1627-L1642 HydrophobicContact CB-CD2 3.86Å
1628	V	88.9	Confident	88	Confident	73 Å²	73	77.6 Å²	77.6	44%	0.442	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.8	-176	-172.9	0	0	0	0	109.3	L1642	V1628-L1642 WeakPolarHBondContact O-CD2 3.06Å
1629	C	92.3	Very high	88.2	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.401	C	S	.	.			trans	-81.8	119.7	171.5	-174.9	0	0	0	0	110.9	Y1631 C1632 G1633 A1634 L1642 H1645 H1649	C1629-Y1631 VanDerWaalsContact C-N 3.26Å; C1629-Y1631 PolarHBondContact O-N 2.93Å; C1629-C1632 PolarHBondContact O-N 3.07Å; C1629-G1633 WeakPolarHBondContact O-CA 3.35Å; C1629-G1633 PolarHBondContact O-N 3.26Å; C1629-A1634 HydrophobicContact CB-CB 4.29Å; C1629-A1634 PolarHBondContact N-O 3.07Å; C1629-L1642 VanDerWaalsContact CA-CD1 3.47Å; C1629-L1642 HydrophobicContact CB-CD1 3.56Å; C1629-H1645 VanDerWaalsContact CB-CD2 3.44Å; C1629-H1645 WeakPolarHBondContact CB-CD2 3.38Å; C1629-H1645 VanDerWaalsContact CB-NE2 3.32Å; C1629-H1645 WeakPolarHBondContact CB-NE2 3.18Å; C1629-H1645 PolarHBondContact SG-CD2 3.5Å; C1629-H1645 PolarHBondContact SG-NE2 3.3Å; C1629-H1649 PolarHBondContact SG-NE2 3.09Å
1630	H	87.3	Confident	88.1	Confident	176 Å²	176	81.1 Å²	81.1	82%	0.815	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-35.9	178	-65.2	-86.9	0	0	0	112.4	C1632	H1630-C1632 PolarHBondContact O-N 3.35Å
1631	Y	85.2	Confident	88.2	Confident	162 Å²	162	77.3 Å²	77.3	64%	0.635	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18	-178.1	-59.3	-73.5	0	0	0	115.8	C1629 H1649	C1629-Y1631 VanDerWaalsContact C-N 3.26Å; C1629-Y1631 PolarHBondContact O-N 2.93Å; Y1631-H1649 HydrophobicContact CD2-CB 4.26Å; Y1631-H1649 AromaticContact CD2-CD2 3.95Å; Y1631-H1649 HydrophobicContact CG-CB 4.31Å
1632	C	90.2	Very high	88.5	Confident	59 Å²	59	75.1 Å²	75.1	40%	0.399	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-157	19.1	-178.3	81.2	0	0	0	0	116.1	C1629 H1630 A1634 H1645 H1649	C1629-C1632 PolarHBondContact O-N 3.07Å; H1630-C1632 PolarHBondContact O-N 3.35Å; C1632-A1634 PolarHBondContact O-N 3.34Å; C1632-A1634 VanDerWaalsContact SG-CB 3.57Å; C1632-H1645 VanDerWaalsContact SG-CE1 3.5Å; C1632-H1645 PolarHBondContact SG-NE2 3.32Å; C1632-H1649 WeakPolarHBondContact CB-CE1 3.42Å; C1632-H1649 PolarHBondContact SG-CE1 3.36Å; C1632-H1649 PolarHBondContact SG-NE2 3.28Å
1633	G	88.3	Confident	88.7	Confident	51 Å²	51	74.2 Å²	74.2	53%	0.526	38%	0.383	S	S	.	.			trans	63.5	3.9	179.2	0	0	0	0	0	116	C1629 S1635	C1629-G1633 WeakPolarHBondContact O-CA 3.35Å; C1629-G1633 PolarHBondContact O-N 3.26Å; G1633-S1635 PolarHBondContact O-N 3.4Å; G1633-S1635 VanDerWaalsContact O-N 3.15Å
1634	A	88.7	Confident	88.9	Confident	27 Å²	27	65.2 Å²	65.2	22%	0.223	35%	0.352	C	S	.	.			trans	-69.3	115.2	-174.6	0	0	0	0	0	110.8	C1629 C1632 F1636	C1629-A1634 HydrophobicContact CB-CB 4.29Å; C1629-A1634 PolarHBondContact N-O 3.07Å; C1632-A1634 PolarHBondContact O-N 3.34Å; C1632-A1634 VanDerWaalsContact SG-CB 3.57Å; A1634-F1636 HydrophobicContact CB-CE2 3.83Å; A1634-F1636 HydrophobicContact CB-CZ 3.95Å; A1634-F1636 VanDerWaalsContact O-CD2 3.27Å; A1634-F1636 WeakPolarHBondContact O-CD2 3.19Å; A1634-F1636 WeakPolarHBondContact O-CE2 3.49Å
1635	S	90.4	Very high	89.2	Confident	41 Å²	41	61.4 Å²	61.4	29%	0.287	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.4	-174.6	56.8	0	0	0	0	113.6	K1625 F1627 G1633	K1625-S1635 WeakPolarHBondContact CE-O 3.43Å; K1625-S1635 PolarHBondContact NZ-O 2.94Å; K1625-S1635 PolarHBondContact NZ-OG 3.26Å; F1627-S1635 CarbonylContact O-C 3.52Å; F1627-S1635 WeakPolarHBondContact O-CA 3.12Å; G1633-S1635 PolarHBondContact O-N 3.4Å; G1633-S1635 VanDerWaalsContact O-N 3.15Å
1636	F	90	Very high	89.3	Confident	50 Å²	50	59 Å²	59	22%	0.219	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	153.9	-173.6	-58.6	-83.8	0	0	0	112.4	K1625 P1626 F1627 A1634 L1642 H1645	K1625-F1636 CarbonylContact C-O 3.6Å; K1625-F1636 VanDerWaalsContact CA-O 3.26Å; K1625-F1636 WeakPolarHBondContact CA-O 3.19Å; P1626-F1636 WeakPolarHBondContact CD-O 3.44Å; F1627-F1636 HydrophobicContact CB-CB 4.43Å; F1627-F1636 PolarHBondContact N-O 3.42Å; F1627-F1636 PolarHBondContact O-N 3.31Å; A1634-F1636 HydrophobicContact CB-CE2 3.83Å; A1634-F1636 HydrophobicContact CB-CZ 3.95Å; A1634-F1636 VanDerWaalsContact O-CD2 3.27Å; A1634-F1636 WeakPolarHBondContact O-CD2 3.19Å; A1634-F1636 WeakPolarHBondContact O-CE2 3.49Å; F1636-L1642 HydrophobicContact CD2-CB 3.96Å; F1636-L1642 HydrophobicContact CD2-CD1 4.16Å; F1636-L1642 HydrophobicContact CE2-CD1 4.26Å; F1636-H1645 HydrophobicContact CE1-CB 4.38Å; F1636-H1645 HydrophobicContact CE2-CB 3.86Å; F1636-H1645 AromaticContact CE2-CD2 3.61Å; F1636-H1645 AromaticContact CE2-CG 3.59Å; F1636-H1645 HydrophobicContact CZ-CB 3.6Å; F1636-H1645 AromaticContact CZ-CD2 3.87Å; F1636-H1645 AromaticContact CZ-CG 3.4Å; F1636-H1645 AromaticContact CZ-ND1 3.62Å
1637	T	89.6	Confident	89.4	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.202	31%	0.31	C	S	.	.	S	Bend	trans	-82.4	-11.4	179.9	56.9	0	0	0	0	114.1	R1619 K1625	R1619-T1637 PolarHBondContact NH1-O 2.94Å; K1625-T1637 HydrophobicContact CG-CG2 3.8Å
1638	Q	90.5	Very high	89.4	Confident	38 Å²	38	55.8 Å²	55.8	18%	0.178	30%	0.304	C	S	.	.	S	Bend	trans	-148.9	133	-171.3	-62.1	173.1	91.6	0	0	111.2	R1616 Y1640 S1641	R1616-Q1638 VanDerWaalsContact CD-OE1 3.31Å; R1616-Q1638 HydrophobicContact CG-CG 4.14Å; Q1638-Y1640 HydrophobicContact CB-CD1 4.09Å; Q1638-Y1640 HydrophobicContact CB-CE1 4.01Å; Q1638-Y1640 HydrophobicContact CG-CE1 4.49Å; Q1638-Y1640 PolarHBondContact O-N 3Å; Q1638-S1641 VanDerWaalsContact O-CB 3.29Å; Q1638-S1641 WeakPolarHBondContact O-CB 3.39Å; Q1638-S1641 PolarHBondContact O-N 2.84Å
1639	S	90.9	Very high	89.3	Confident	64 Å²	64	56.4 Å²	56.4	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-59.4	-39.3	-173.8	66.1	0	0	0	0	114.6	F1627 S1641 L1642 T1643	F1627-S1639 VanDerWaalsContact CD2-N 3.33Å; S1639-S1641 PolarHBondContact O-N 3.33Å; S1639-L1642 CarbonylContact O-C 3.27Å; S1639-L1642 WeakPolarHBondContact O-CA 3.45Å; S1639-L1642 VanDerWaalsContact O-CB 3.3Å; S1639-L1642 WeakPolarHBondContact O-CB 3.49Å; S1639-L1642 PolarHBondContact O-N 2.94Å; S1639-T1643 PolarHBondContact O-N 3.45Å; S1639-T1643 PolarHBondContact O-OG1 3.24Å
1640	Y	88	Confident	89	Confident	139 Å²	139	61.5 Å²	61.5	55%	0.545	33%	0.328	S	S	.	.	H	α-helix	trans	-58.5	-23.6	177.4	86.1	-100.1	0	0	0	113.1	Q1638 S1644	Q1638-Y1640 HydrophobicContact CB-CD1 4.09Å; Q1638-Y1640 HydrophobicContact CB-CE1 4.01Å; Q1638-Y1640 HydrophobicContact CG-CE1 4.49Å; Q1638-Y1640 PolarHBondContact O-N 3Å; Y1640-S1644 WeakPolarHBondContact O-CB 3.3Å; Y1640-S1644 PolarHBondContact O-N 2.86Å
1641	S	89.9	Confident	88.9	Confident	27 Å²	27	54.6 Å²	54.6	19%	0.189	31%	0.305	C	S	.	.	H	α-helix	trans	-79.9	-28.2	177.4	-51.2	0	0	0	0	111.7	Q1638 S1639 H1645	Q1638-S1641 VanDerWaalsContact O-CB 3.29Å; Q1638-S1641 WeakPolarHBondContact O-CB 3.39Å; Q1638-S1641 PolarHBondContact O-N 2.84Å; S1639-S1641 PolarHBondContact O-N 3.33Å; S1641-H1645 VanDerWaalsContact O-CB 3.27Å; S1641-H1645 WeakPolarHBondContact O-CB 3.4Å; S1641-H1645 PolarHBondContact O-N 2.9Å
1642	L	91.5	Very high	88.9	Confident	18 Å²	18	51.7 Å²	51.7	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-71.3	-51.3	167.1	171	59.5	0	0	0	110.5	F1627 V1628 C1629 F1636 S1639 S1644 H1645 E1646	F1627-L1642 HydrophobicContact CB-CB 4.04Å; F1627-L1642 HydrophobicContact CB-CD2 3.86Å; V1628-L1642 WeakPolarHBondContact O-CD2 3.06Å; C1629-L1642 VanDerWaalsContact CA-CD1 3.47Å; C1629-L1642 HydrophobicContact CB-CD1 3.56Å; F1636-L1642 HydrophobicContact CD2-CB 3.96Å; F1636-L1642 HydrophobicContact CD2-CD1 4.16Å; F1636-L1642 HydrophobicContact CE2-CD1 4.26Å; S1639-L1642 CarbonylContact O-C 3.27Å; S1639-L1642 WeakPolarHBondContact O-CA 3.45Å; S1639-L1642 VanDerWaalsContact O-CB 3.3Å; S1639-L1642 WeakPolarHBondContact O-CB 3.49Å; S1639-L1642 PolarHBondContact O-N 2.94Å; L1642-S1644 VanDerWaalsContact C-N 3.32Å; L1642-S1644 PolarHBondContact O-N 3.05Å; L1642-H1645 CarbonylContact O-C 3.21Å; L1642-H1645 VanDerWaalsContact O-CA 3.25Å; L1642-H1645 WeakPolarHBondContact O-CA 3.42Å; L1642-H1645 VanDerWaalsContact O-CB 3.31Å; L1642-H1645 WeakPolarHBondContact O-CB 3.43Å; L1642-H1645 PolarHBondContact O-N 3.44Å; L1642-E1646 HydrophobicContact CD1-CG 3.96Å; L1642-E1646 VanDerWaalsContact CD1-OE1 3.3Å; L1642-E1646 WeakPolarHBondContact CD1-OE1 3.26Å; L1642-E1646 HydrophobicContact CG-CG 4.36Å; L1642-E1646 VanDerWaalsContact CG-OE1 3.23Å; L1642-E1646 WeakPolarHBondContact CG-OE1 3.22Å; L1642-E1646 PolarHBondContact O-N 3.49Å
1643	T	88.2	Confident	88.8	Confident	76 Å²	76	51.5 Å²	51.5	47%	0.466	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-40.2	177.9	-42.5	0	0	0	0	113	S1639 H1645 E1646 L1647	S1639-T1643 PolarHBondContact O-N 3.45Å; S1639-T1643 PolarHBondContact O-OG1 3.24Å; T1643-H1645 PolarHBondContact O-N 3.22Å; T1643-E1646 WeakPolarHBondContact CA-OE2 3.29Å; T1643-E1646 PolarHBondContact O-N 3Å; T1643-L1647 WeakPolarHBondContact O-CG 3.42Å; T1643-L1647 PolarHBondContact O-N 3.05Å
1644	S	88.2	Confident	88.8	Confident	22 Å²	22	52.4 Å²	52.4	15%	0.154	29%	0.286	C	S	.	.	H	α-helix	trans	-71.7	-9.5	173	-177.9	0	0	0	0	114.2	Y1640 L1642 Q1666	Y1640-S1644 WeakPolarHBondContact O-CB 3.3Å; Y1640-S1644 PolarHBondContact O-N 2.86Å; L1642-S1644 VanDerWaalsContact C-N 3.32Å; L1642-S1644 PolarHBondContact O-N 3.05Å; S1644-Q1666 WeakPolarHBondContact OG-CG 3.14Å; S1644-Q1666 PolarHBondContact OG-NE2 3.12Å
1645	H	89.8	Confident	88.8	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.032	29%	0.293	C	S	.	.	H	α-helix	trans	-98.7	-30.3	173.3	163.9	89	0	0	0	111.9	C1629 C1632 F1636 S1641 L1642 T1643 L1647 I1648 H1649	C1629-H1645 VanDerWaalsContact CB-CD2 3.44Å; C1629-H1645 WeakPolarHBondContact CB-CD2 3.38Å; C1629-H1645 VanDerWaalsContact CB-NE2 3.32Å; C1629-H1645 WeakPolarHBondContact CB-NE2 3.18Å; C1629-H1645 PolarHBondContact SG-CD2 3.5Å; C1629-H1645 PolarHBondContact SG-NE2 3.3Å; C1632-H1645 VanDerWaalsContact SG-CE1 3.5Å; C1632-H1645 PolarHBondContact SG-NE2 3.32Å; F1636-H1645 HydrophobicContact CE1-CB 4.38Å; F1636-H1645 HydrophobicContact CE2-CB 3.86Å; F1636-H1645 AromaticContact CE2-CD2 3.61Å; F1636-H1645 AromaticContact CE2-CG 3.59Å; F1636-H1645 HydrophobicContact CZ-CB 3.6Å; F1636-H1645 AromaticContact CZ-CD2 3.87Å; F1636-H1645 AromaticContact CZ-CG 3.4Å; F1636-H1645 AromaticContact CZ-ND1 3.62Å; S1641-H1645 VanDerWaalsContact O-CB 3.27Å; S1641-H1645 WeakPolarHBondContact O-CB 3.4Å; S1641-H1645 PolarHBondContact O-N 2.9Å; L1642-H1645 CarbonylContact O-C 3.21Å; L1642-H1645 VanDerWaalsContact O-CA 3.25Å; L1642-H1645 WeakPolarHBondContact O-CA 3.42Å; L1642-H1645 VanDerWaalsContact O-CB 3.31Å; L1642-H1645 WeakPolarHBondContact O-CB 3.43Å; L1642-H1645 PolarHBondContact O-N 3.44Å; T1643-H1645 PolarHBondContact O-N 3.22Å; H1645-L1647 VanDerWaalsContact C-N 3.32Å; H1645-L1647 PolarHBondContact O-N 3.16Å; H1645-I1648 HydrophobicContact CB-CD1 4.02Å; H1645-I1648 WeakPolarHBondContact ND1-CD1 3.48Å; H1645-I1648 WeakPolarHBondContact O-CB 3.26Å; H1645-I1648 WeakPolarHBondContact O-CD1 3.46Å; H1645-I1648 WeakPolarHBondContact O-CG1 3.23Å; H1645-I1648 PolarHBondContact O-N 2.95Å; H1645-H1649 AromaticContact CD2-NE2 3.32Å; H1645-H1649 PolarHBondContact CD2-NE2 2.92Å; H1645-H1649 VanDerWaalsContact CD2-NE2 3.32Å; H1645-H1649 AromaticContact CE1-NE2 2.93Å; H1645-H1649 PolarHBondContact CE1-NE2 3.46Å; H1645-H1649 AromaticContact NE2-CD2 3.93Å; H1645-H1649 AromaticContact NE2-NE2 2.35Å; H1645-H1649 PolarHBondContact NE2-NE2 3.41Å
1646	E	89.9	Confident	88.7	Confident	47 Å²	47	61 Å²	61	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-39.7	171.6	-72	157	164.8	0	0	111	L1642 T1643 I1648 H1649 I1650	L1642-E1646 HydrophobicContact CD1-CG 3.96Å; L1642-E1646 VanDerWaalsContact CD1-OE1 3.3Å; L1642-E1646 WeakPolarHBondContact CD1-OE1 3.26Å; L1642-E1646 HydrophobicContact CG-CG 4.36Å; L1642-E1646 VanDerWaalsContact CG-OE1 3.23Å; L1642-E1646 WeakPolarHBondContact CG-OE1 3.22Å; L1642-E1646 PolarHBondContact O-N 3.49Å; T1643-E1646 WeakPolarHBondContact CA-OE2 3.29Å; T1643-E1646 PolarHBondContact O-N 3Å; E1646-I1648 PolarHBondContact O-N 3.39Å; E1646-H1649 PolarHBondContact O-N 3.14Å; E1646-I1650 PolarHBondContact O-N 2.98Å
1647	L	90.2	Very high	88.7	Confident	29 Å²	29	59.1 Å²	59.1	15%	0.152	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-3.2	168.2	-64.7	175.6	0	0	0	115.1	T1643 H1645 E1652 P1654 R1665	T1643-L1647 WeakPolarHBondContact O-CG 3.42Å; T1643-L1647 PolarHBondContact O-N 3.05Å; H1645-L1647 VanDerWaalsContact C-N 3.32Å; H1645-L1647 PolarHBondContact O-N 3.16Å; L1647-E1652 HydrophobicContact CD2-CB 3.89Å; L1647-E1652 VanDerWaalsContact CD2-OE2 3.31Å; L1647-E1652 WeakPolarHBondContact CD2-OE2 3.33Å; L1647-P1654 HydrophobicContact CD1-CG 4.36Å; L1647-R1665 WeakPolarHBondContact O-CD 3.13Å; L1647-R1665 PolarHBondContact O-NE 3Å
1648	I	89.3	Confident	88.5	Confident	32 Å²	32	61.5 Å²	61.5	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-84.2	-46.6	171.6	-54.2	168.4	0	0	0	110	N884 I885 H1645 E1646 G1651 R1665	N884-I1648 HydrophobicContact CB-CD1 4.11Å; N884-I1648 HydrophobicContact CB-CG2 3.82Å; N884-I1648 WeakPolarHBondContact ND2-CD1 3.28Å; N884-I1648 WeakPolarHBondContact ND2-CG1 3.17Å; N884-I1648 WeakPolarHBondContact ND2-CG2 3.43Å; N884-I1648 WeakPolarHBondContact OD1-CD1 3.36Å; I885-I1648 HydrophobicContact CD1-CD1 4.25Å; H1645-I1648 HydrophobicContact CB-CD1 4.02Å; H1645-I1648 WeakPolarHBondContact ND1-CD1 3.48Å; H1645-I1648 WeakPolarHBondContact O-CB 3.26Å; H1645-I1648 WeakPolarHBondContact O-CD1 3.46Å; H1645-I1648 WeakPolarHBondContact O-CG1 3.23Å; H1645-I1648 PolarHBondContact O-N 2.95Å; E1646-I1648 PolarHBondContact O-N 3.39Å; I1648-G1651 PolarHBondContact O-N 3.21Å; I1648-R1665 PolarHBondContact O-NH2 3.16Å
1649	H	86.7	Confident	88.2	Confident	87 Å²	87	66 Å²	66	40%	0.403	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-44.6	-178.7	-61.3	-63.7	0	0	0	111.3	C1629 Y1631 C1632 H1645 E1646 G1651	C1629-H1649 PolarHBondContact SG-NE2 3.09Å; Y1631-H1649 HydrophobicContact CD2-CB 4.26Å; Y1631-H1649 AromaticContact CD2-CD2 3.95Å; Y1631-H1649 HydrophobicContact CG-CB 4.31Å; C1632-H1649 WeakPolarHBondContact CB-CE1 3.42Å; C1632-H1649 PolarHBondContact SG-CE1 3.36Å; C1632-H1649 PolarHBondContact SG-NE2 3.28Å; H1645-H1649 AromaticContact CD2-NE2 3.32Å; H1645-H1649 PolarHBondContact CD2-NE2 2.92Å; H1645-H1649 VanDerWaalsContact CD2-NE2 3.32Å; H1645-H1649 AromaticContact CE1-NE2 2.93Å; H1645-H1649 PolarHBondContact CE1-NE2 3.46Å; H1645-H1649 AromaticContact NE2-CD2 3.93Å; H1645-H1649 AromaticContact NE2-NE2 2.35Å; H1645-H1649 PolarHBondContact NE2-NE2 3.41Å; E1646-H1649 PolarHBondContact O-N 3.14Å; H1649-G1651 PolarHBondContact O-N 3.08Å; H1649-G1651 VanDerWaalsContact O-N 3.07Å
1650	I	85.3	Confident	88	Confident	106 Å²	106	64.5 Å²	64.5	54%	0.544	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	1.4	174.8	-36.8	172.3	0	0	0	111.9	E1646 E1652	E1646-I1650 PolarHBondContact O-N 2.98Å; I1650-E1652 HydrophobicContact CB-CG 4.37Å; I1650-E1652 HydrophobicContact CG2-CG 4.1Å; I1650-E1652 PolarHBondContact O-N 3.04Å
1651	G	85.1	Confident	87.8	Confident	31 Å²	31	65.9 Å²	65.9	32%	0.32	35%	0.349	S	S	.	.			trans	72	-33.5	-177.9	0	0	0	0	0	115.3	I1648 H1649 K1653 R1665	I1648-G1651 PolarHBondContact O-N 3.21Å; H1649-G1651 PolarHBondContact O-N 3.08Å; H1649-G1651 VanDerWaalsContact O-N 3.07Å; G1651-K1653 VanDerWaalsContact O-CD 3.26Å; G1651-K1653 WeakPolarHBondContact O-CD 3.13Å; G1651-K1653 WeakPolarHBondContact O-CE 3.45Å; G1651-R1665 PolarHBondContact O-NE 3.43Å; G1651-R1665 PolarHBondContact O-NH2 3.41Å
1652	E	85.8	Confident	87.7	Confident	102 Å²	102	66 Å²	66	48%	0.477	35%	0.352	S	S	.	.			trans	-41.3	146.5	-167.5	-76.2	-154.5	158.5	0	0	117.2	L1647 I1650 R1665	L1647-E1652 HydrophobicContact CD2-CB 3.89Å; L1647-E1652 VanDerWaalsContact CD2-OE2 3.31Å; L1647-E1652 WeakPolarHBondContact CD2-OE2 3.33Å; I1650-E1652 HydrophobicContact CB-CG 4.37Å; I1650-E1652 HydrophobicContact CG2-CG 4.1Å; I1650-E1652 PolarHBondContact O-N 3.04Å; E1652-R1665 WeakPolarHBondContact O-CG 3.38Å; E1652-R1665 PolarHBondContact O-NE 3.17Å
1653	K	88.5	Confident	87.6	Confident	55 Å²	55	67.2 Å²	67.2	24%	0.239	36%	0.362	C	S	.	.			trans	-137.9	72.5	172	-59.3	96	-179	-99	0	111	L881 T882 G1651 Y1655 S1663 F1664 R1665	L881-K1653 PolarHBondContact O-NZ 3.13Å; L881-K1653 VanDerWaalsContact O-NZ 3.14Å; T882-K1653 PolarHBondContact OG1-NZ 3.47Å; G1651-K1653 VanDerWaalsContact O-CD 3.26Å; G1651-K1653 WeakPolarHBondContact O-CD 3.13Å; G1651-K1653 WeakPolarHBondContact O-CE 3.45Å; K1653-Y1655 PolarHBondContact O-N 3.12Å; K1653-Y1655 VanDerWaalsContact O-N 3.11Å; K1653-S1663 VanDerWaalsContact CB-CB 3.47Å; K1653-F1664 CarbonylContact C-O 3.51Å; K1653-R1665 HydrophobicContact CG-CG 4.08Å
1654	P	87.8	Confident	87.7	Confident	70 Å²	70	66 Å²	66	46%	0.455	35%	0.35	S	S	.	.			trans	-62.6	-22.9	-171.3	21.7	-32.9	0	0	0	114.5	L1647 K1656	L1647-P1654 HydrophobicContact CD1-CG 4.36Å; P1654-K1656 PolarHBondContact O-N 3.37Å; P1654-K1656 VanDerWaalsContact O-N 3.14Å
1655	Y	89.6	Confident	87.8	Confident	95 Å²	95	66.3 Å²	66.3	37%	0.373	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	78.4	-177.5	-56.2	-80.6	0	0	0	111.7	K1653 F1664 S1667	K1653-Y1655 PolarHBondContact O-N 3.12Å; K1653-Y1655 VanDerWaalsContact O-N 3.11Å; Y1655-F1664 WeakPolarHBondContact CB-O 3.49Å; Y1655-F1664 WeakPolarHBondContact CD2-O 3.4Å; Y1655-F1664 PolarHBondContact N-O 3.48Å; Y1655-F1664 VanDerWaalsContact N-O 3.08Å; Y1655-F1664 PolarHBondContact O-N 3.3Å; Y1655-S1667 VanDerWaalsContact CD2-N 3.32Å; Y1655-S1667 VanDerWaalsContact CE1-CB 3.49Å
1656	K	88.1	Confident	87.7	Confident	154 Å²	154	69 Å²	69	67%	0.67	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.5	175.7	-58.2	-172.4	-179.3	176.8	0	112.2	P1654 L1670	P1654-K1656 PolarHBondContact O-N 3.37Å; P1654-K1656 VanDerWaalsContact O-N 3.14Å; K1656-L1670 WeakPolarHBondContact O-CD2 3.14Å
1657	C	90.6	Very high	87.7	Confident	10 Å²	10	69 Å²	69	7%	0.068	37%	0.366	C	S	.	.			trans	-67.6	155.6	162.9	176.1	0	0	0	0	110	C1660 A1662 L1670 H1673 H1678	C1657-C1660 CarbonylContact C-O 3.59Å; C1657-C1660 HydrophobicContact CB-CB 4.35Å; C1657-C1660 WeakPolarHBondContact CB-O 3.42Å; C1657-C1660 WeakPolarHBondContact CB-SG 3.48Å; C1657-C1660 VanDerWaalsContact O-O 3.1Å; C1657-C1660 VanDerWaalsContact SG-CA 3.6Å; C1657-C1660 WeakPolarHBondContact SG-CB 3.49Å; C1657-C1660 PolarHBondContact SG-N 3.21Å; C1657-C1660 PolarHBondContact SG-O 3.39Å; C1657-C1660 CovalentContact SG-SG 2.06Å; C1657-C1660 PolarHBondContact SG-SG 3.38Å; C1657-A1662 HydrophobicContact CB-CB 4.27Å; C1657-A1662 WeakPolarHBondContact CB-O 3.39Å; C1657-A1662 PolarHBondContact N-O 3.1Å; C1657-L1670 HydrophobicContact CB-CD1 4.09Å; C1657-H1673 PolarHBondContact SG-NE2 3.3Å; C1657-H1678 PolarHBondContact SG-NE2 2.88Å
1658	S	85.6	Confident	87.7	Confident	83 Å²	83	71.4 Å²	71.4	58%	0.58	38%	0.384	S	S	*	.	S	Bend	trans	-124	3.5	175.5	88.9	0	0	0	0	114.1	K1359	K1359-S1658 PolarHBondContact NZ-OG 3.05Å
1659	Q	83.5	Confident	87.7	Confident	132 Å²	132	71.6 Å²	71.6	62%	0.617	39%	0.385	S	S	*	.	S	Bend	trans	-112.1	9.3	168.8	-66.8	-173.8	-0.6	0	0	110.2	H1678	Q1659-H1678 VanDerWaalsContact CB-ND1 3.26Å; Q1659-H1678 WeakPolarHBondContact CB-ND1 3.37Å; Q1659-H1678 PolarHBondContact O-CE1 3.06Å; Q1659-H1678 VanDerWaalsContact OE1-CB 3.24Å; Q1659-H1678 VanDerWaalsContact OE1-CG 3.31Å; Q1659-H1678 PolarHBondContact OE1-ND1 3.16Å
1660	C	87.1	Confident	87.9	Confident	33 Å²	33	68.5 Å²	68.5	22%	0.223	37%	0.372	C	S	.	.	S	Bend	trans	-173.4	157	-176.2	72.6	0	0	0	0	108.3	C1657 A1662 H1673 H1678	C1657-C1660 CarbonylContact C-O 3.59Å; C1657-C1660 HydrophobicContact CB-CB 4.35Å; C1657-C1660 WeakPolarHBondContact CB-O 3.42Å; C1657-C1660 WeakPolarHBondContact CB-SG 3.48Å; C1657-C1660 VanDerWaalsContact O-O 3.1Å; C1657-C1660 VanDerWaalsContact SG-CA 3.6Å; C1657-C1660 WeakPolarHBondContact SG-CB 3.49Å; C1657-C1660 PolarHBondContact SG-N 3.21Å; C1657-C1660 PolarHBondContact SG-O 3.39Å; C1657-C1660 CovalentContact SG-SG 2.06Å; C1657-C1660 PolarHBondContact SG-SG 3.38Å; C1660-A1662 PolarHBondContact O-N 3.46Å; C1660-A1662 VanDerWaalsContact SG-CB 3.5Å; C1660-H1673 PolarHBondContact SG-NE2 2.75Å; C1660-H1678 PolarHBondContact SG-NE2 3.42Å
1661	N	82.9	Confident	87.9	Confident	167 Å²	167	70.1 Å²	70.1	89%	0.893	38%	0.375	S	S	*	.			trans	-89.7	29.6	179.8	-62.5	-1.6	0	0	0	112.5
1662	A	87.6	Confident	88	Confident	30 Å²	30	73.3 Å²	73.3	25%	0.248	38%	0.377	C	S	.	.			trans	-85.2	120.1	-179.8	0	0	0	0	0	111.6	C1657 C1660 F1664	C1657-A1662 HydrophobicContact CB-CB 4.27Å; C1657-A1662 WeakPolarHBondContact CB-O 3.39Å; C1657-A1662 PolarHBondContact N-O 3.1Å; C1660-A1662 PolarHBondContact O-N 3.46Å; C1660-A1662 VanDerWaalsContact SG-CB 3.5Å; A1662-F1664 HydrophobicContact CB-CE2 3.93Å; A1662-F1664 HydrophobicContact CB-CZ 3.97Å; A1662-F1664 WeakPolarHBondContact O-CE2 3.33Å
1663	S	90.5	Very high	88.1	Confident	44 Å²	44	70.2 Å²	70.2	31%	0.308	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.1	-174.6	-51.1	0	0	0	0	111.5	K1653	K1653-S1663 VanDerWaalsContact CB-CB 3.47Å
1664	F	89.8	Confident	88	Confident	49 Å²	49	68.6 Å²	68.6	22%	0.215	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.4	-174.7	-58.5	-84	0	0	0	113.3	K1653 Y1655 A1662 Q1666 N1669 L1670 H1673	K1653-F1664 CarbonylContact C-O 3.51Å; Y1655-F1664 WeakPolarHBondContact CB-O 3.49Å; Y1655-F1664 WeakPolarHBondContact CD2-O 3.4Å; Y1655-F1664 PolarHBondContact N-O 3.48Å; Y1655-F1664 VanDerWaalsContact N-O 3.08Å; Y1655-F1664 PolarHBondContact O-N 3.3Å; A1662-F1664 HydrophobicContact CB-CE2 3.93Å; A1662-F1664 HydrophobicContact CB-CZ 3.97Å; A1662-F1664 WeakPolarHBondContact O-CE2 3.33Å; F1664-Q1666 VanDerWaalsContact C-N 3.28Å; F1664-Q1666 PolarHBondContact O-N 3Å; F1664-N1669 HydrophobicContact CB-CB 4.07Å; F1664-N1669 HydrophobicContact CD1-CB 3.94Å; F1664-N1669 HydrophobicContact CG-CB 4.17Å; F1664-L1670 HydrophobicContact CD2-CB 4.01Å; F1664-L1670 HydrophobicContact CD2-CD1 4.07Å; F1664-L1670 HydrophobicContact CE2-CD1 4.25Å; F1664-H1673 HydrophobicContact CE1-CB 4.23Å; F1664-H1673 HydrophobicContact CE2-CB 3.7Å; F1664-H1673 AromaticContact CE2-CD2 3.81Å; F1664-H1673 AromaticContact CE2-CG 3.55Å; F1664-H1673 HydrophobicContact CZ-CB 3.51Å; F1664-H1673 AromaticContact CZ-CG 3.35Å; F1664-H1673 AromaticContact CZ-ND1 3.49Å; F1664-H1673 WeakPolarHBondContact CZ-ND1 3.3Å
1665	R	89.8	Confident	87.8	Confident	29 Å²	29	72.4 Å²	72.4	11%	0.109	37%	0.366	C	S	.	.	S	Bend	trans	-75.4	-7.2	174	-58.7	-167.9	161.7	139.5	-16.6	114.6	T882 T883 N884 L1647 I1648 G1651 E1652 K1653	T882-R1665 PolarHBondContact O-NH1 3.18Å; T883-R1665 PolarHBondContact O-NH1 3.32Å; T883-R1665 VanDerWaalsContact O-NH1 3.11Å; T883-R1665 PolarHBondContact OG1-NH1 3.19Å; N884-R1665 PolarHBondContact ND2-NH1 2.94Å; L1647-R1665 WeakPolarHBondContact O-CD 3.13Å; L1647-R1665 PolarHBondContact O-NE 3Å; I1648-R1665 PolarHBondContact O-NH2 3.16Å; G1651-R1665 PolarHBondContact O-NE 3.43Å; G1651-R1665 PolarHBondContact O-NH2 3.41Å; E1652-R1665 WeakPolarHBondContact O-CG 3.38Å; E1652-R1665 PolarHBondContact O-NE 3.17Å; K1653-R1665 HydrophobicContact CG-CG 4.08Å
1666	Q	88.8	Confident	87.6	Confident	64 Å²	64	71.9 Å²	71.9	30%	0.299	37%	0.369	S	S	.	.	S	Bend	trans	-146.2	137.2	-178.4	-60.8	175.1	-23.3	0	0	112.4	S1644 F1664 C1668 N1669 L1670	S1644-Q1666 WeakPolarHBondContact OG-CG 3.14Å; S1644-Q1666 PolarHBondContact OG-NE2 3.12Å; F1664-Q1666 VanDerWaalsContact C-N 3.28Å; F1664-Q1666 PolarHBondContact O-N 3Å; Q1666-C1668 VanDerWaalsContact C-N 3.26Å; Q1666-C1668 PolarHBondContact O-N 2.82Å; Q1666-C1668 PolarHBondContact OE1-SG 3.03Å; Q1666-N1669 HydrophobicContact CB-CB 4.39Å; Q1666-N1669 WeakPolarHBondContact O-CB 3.35Å; Q1666-N1669 PolarHBondContact O-N 2.7Å; Q1666-N1669 PolarHBondContact OE1-ND2 3.21Å; Q1666-L1670 PolarHBondContact O-N 3.07Å
1667	S	89.9	Confident	87.3	Confident	47 Å²	47	67.9 Å²	67.9	33%	0.329	36%	0.358	S	S	.	.	H	α-helix	trans	-54.7	-38.3	175.2	-172.9	0	0	0	0	113.4	Y1655 N1669 L1670 K1671	Y1655-S1667 VanDerWaalsContact CD2-N 3.32Å; Y1655-S1667 VanDerWaalsContact CE1-CB 3.49Å; S1667-N1669 VanDerWaalsContact C-N 3.27Å; S1667-N1669 PolarHBondContact O-N 3.09Å; S1667-L1670 PolarHBondContact O-N 2.88Å; S1667-K1671 PolarHBondContact O-N 3.03Å
1668	C	89	Confident	86.9	Confident	79 Å²	79	69.3 Å²	69.3	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-27.3	178	63.1	0	0	0	0	112.9	Q1666 R1672	Q1666-C1668 VanDerWaalsContact C-N 3.26Å; Q1666-C1668 PolarHBondContact O-N 2.82Å; Q1666-C1668 PolarHBondContact OE1-SG 3.03Å; C1668-R1672 WeakPolarHBondContact O-CB 3.5Å; C1668-R1672 PolarHBondContact O-N 3.38Å
1669	N	89.9	Confident	85.9	Confident	36 Å²	36	70.7 Å²	70.7	19%	0.193	36%	0.359	C	S	.	.	H	α-helix	trans	-74.5	-41.1	172.8	-70.7	-37.9	0	0	0	111.1	F1664 Q1666 S1667 R1672 H1673	F1664-N1669 HydrophobicContact CB-CB 4.07Å; F1664-N1669 HydrophobicContact CD1-CB 3.94Å; F1664-N1669 HydrophobicContact CG-CB 4.17Å; Q1666-N1669 HydrophobicContact CB-CB 4.39Å; Q1666-N1669 WeakPolarHBondContact O-CB 3.35Å; Q1666-N1669 PolarHBondContact O-N 2.7Å; Q1666-N1669 PolarHBondContact OE1-ND2 3.21Å; S1667-N1669 VanDerWaalsContact C-N 3.27Å; S1667-N1669 PolarHBondContact O-N 3.09Å; N1669-R1672 PolarHBondContact O-N 3.07Å; N1669-R1672 PolarHBondContact OD1-NH2 3.26Å; N1669-H1673 VanDerWaalsContact O-CB 3.26Å; N1669-H1673 WeakPolarHBondContact O-CB 3.27Å; N1669-H1673 PolarHBondContact O-N 3.44Å
1670	L	90.6	Very high	84.3	Confident	23 Å²	23	68.9 Å²	68.9	12%	0.12	35%	0.353	C	S	.	.	H	α-helix	trans	-61.2	-48.3	171.4	174.8	60.3	0	0	0	111.8	K1656 C1657 F1664 Q1666 S1667 R1672 H1673 L1674	K1656-L1670 WeakPolarHBondContact O-CD2 3.14Å; C1657-L1670 HydrophobicContact CB-CD1 4.09Å; F1664-L1670 HydrophobicContact CD2-CB 4.01Å; F1664-L1670 HydrophobicContact CD2-CD1 4.07Å; F1664-L1670 HydrophobicContact CE2-CD1 4.25Å; Q1666-L1670 PolarHBondContact O-N 3.07Å; S1667-L1670 PolarHBondContact O-N 2.88Å; L1670-R1672 VanDerWaalsContact C-N 3.31Å; L1670-R1672 PolarHBondContact O-N 2.96Å; L1670-H1673 WeakPolarHBondContact O-CB 3.49Å; L1670-H1673 PolarHBondContact O-N 3.16Å; L1670-H1673 VanDerWaalsContact O-N 3.13Å; L1670-L1674 HydrophobicContact CD1-CD1 4.07Å; L1670-L1674 HydrophobicContact CD1-CG 4.01Å; L1670-L1674 HydrophobicContact CG-CD1 4.08Å; L1670-L1674 HydrophobicContact CG-CG 4.46Å; L1670-L1674 WeakPolarHBondContact O-CG 3.23Å; L1670-L1674 PolarHBondContact O-N 3.13Å
1671	K	86.4	Confident	81.9	Confident	139 Å²	139	76.4 Å²	76.4	60%	0.604	39%	0.385	S	S	*	.	H	α-helix	trans	-61.9	-37.2	176.9	-69.4	-170.6	179.7	-168.7	0	112.3	S1667 K1675	S1667-K1671 PolarHBondContact O-N 3.03Å; K1671-K1675 PolarHBondContact O-N 3.49Å; K1671-K1675 VanDerWaalsContact O-N 3.12Å
1672	R	86.6	Confident	79.5	Confident	99 Å²	99	73.6 Å²	73.6	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-41.4	172.4	176.2	170.7	63	162.4	0.6	112	C1668 N1669 L1670 K1675 L1676	C1668-R1672 WeakPolarHBondContact O-CB 3.5Å; C1668-R1672 PolarHBondContact O-N 3.38Å; N1669-R1672 PolarHBondContact O-N 3.07Å; N1669-R1672 PolarHBondContact OD1-NH2 3.26Å; L1670-R1672 VanDerWaalsContact C-N 3.31Å; L1670-R1672 PolarHBondContact O-N 2.96Å; R1672-K1675 PolarHBondContact O-N 3.15Å; R1672-L1676 HydrophobicContact CG-CD1 3.61Å; R1672-L1676 HydrophobicContact CG-CG 4.21Å; R1672-L1676 VanDerWaalsContact O-CB 3.27Å; R1672-L1676 WeakPolarHBondContact O-CB 3.38Å; R1672-L1676 VanDerWaalsContact O-CG 3.29Å; R1672-L1676 WeakPolarHBondContact O-CG 3.48Å; R1672-L1676 PolarHBondContact O-N 3.5Å
1673	H	86.8	Confident	76.9	Confident	37 Å²	37	79.5 Å²	79.5	17%	0.171	40%	0.403	C	S	.	.	H	α-helix	trans	-63.4	-49.3	176.8	171.2	80.2	0	0	0	111.5	C1657 C1660 F1664 N1669 L1670 K1675 L1676 V1677 H1678	C1657-H1673 PolarHBondContact SG-NE2 3.3Å; C1660-H1673 PolarHBondContact SG-NE2 2.75Å; F1664-H1673 HydrophobicContact CE1-CB 4.23Å; F1664-H1673 HydrophobicContact CE2-CB 3.7Å; F1664-H1673 AromaticContact CE2-CD2 3.81Å; F1664-H1673 AromaticContact CE2-CG 3.55Å; F1664-H1673 HydrophobicContact CZ-CB 3.51Å; F1664-H1673 AromaticContact CZ-CG 3.35Å; F1664-H1673 AromaticContact CZ-ND1 3.49Å; F1664-H1673 WeakPolarHBondContact CZ-ND1 3.3Å; N1669-H1673 VanDerWaalsContact O-CB 3.26Å; N1669-H1673 WeakPolarHBondContact O-CB 3.27Å; N1669-H1673 PolarHBondContact O-N 3.44Å; L1670-H1673 WeakPolarHBondContact O-CB 3.49Å; L1670-H1673 PolarHBondContact O-N 3.16Å; L1670-H1673 VanDerWaalsContact O-N 3.13Å; H1673-K1675 VanDerWaalsContact C-N 3.28Å; H1673-K1675 PolarHBondContact O-N 3.17Å; H1673-L1676 PolarHBondContact O-N 2.7Å; H1673-L1676 VanDerWaalsContact O-N 3.1Å; H1673-V1677 WeakPolarHBondContact CE1-CG1 3.44Å; H1673-V1677 VanDerWaalsContact CE1-CG2 3.43Å; H1673-V1677 WeakPolarHBondContact CE1-CG2 3.43Å; H1673-V1677 WeakPolarHBondContact ND1-CG2 3.29Å; H1673-V1677 WeakPolarHBondContact O-CB 3.34Å; H1673-V1677 PolarHBondContact O-N 3.04Å; H1673-H1678 AromaticContact CD2-CD2 3.66Å; H1673-H1678 AromaticContact CD2-NE2 3.89Å; H1673-H1678 AromaticContact CE1-NE2 3.88Å; H1673-H1678 AromaticContact NE2-CD2 2.67Å; H1673-H1678 PolarHBondContact NE2-CD2 3.07Å; H1673-H1678 AromaticContact NE2-CE1 3.43Å; H1673-H1678 PolarHBondContact NE2-CE1 3.28Å; H1673-H1678 AromaticContact NE2-CG 3.98Å; H1673-H1678 AromaticContact NE2-NE2 2.16Å; H1673-H1678 PolarHBondContact NE2-NE2 2.86Å
1674	L	86.7	Confident	74.1	Confident	20 Å²	20	88.9 Å²	88.9	11%	0.105	45%	0.449	C	S	.	.	I	π-helix	trans	-55.1	-43.6	174.2	-68.2	169.5	0	0	0	111.1	L1670 H1678 K1679	L1670-L1674 HydrophobicContact CD1-CD1 4.07Å; L1670-L1674 HydrophobicContact CD1-CG 4.01Å; L1670-L1674 HydrophobicContact CG-CD1 4.08Å; L1670-L1674 HydrophobicContact CG-CG 4.46Å; L1670-L1674 WeakPolarHBondContact O-CG 3.23Å; L1670-L1674 PolarHBondContact O-N 3.13Å; L1674-H1678 WeakPolarHBondContact O-CB 3.23Å; L1674-H1678 PolarHBondContact O-N 2.9Å; L1674-K1679 PolarHBondContact O-N 3.32Å
1675	K	84.5	Confident	73.3	Confident	151 Å²	151	90.9 Å²	90.9	66%	0.657	46%	0.46	S	S	*	.	I	π-helix	trans	-73.7	-25	176.8	-174.8	156.2	-176.1	152.2	0	115.2	K1671 R1672 H1673	K1671-K1675 PolarHBondContact O-N 3.49Å; K1671-K1675 VanDerWaalsContact O-N 3.12Å; R1672-K1675 PolarHBondContact O-N 3.15Å; H1673-K1675 VanDerWaalsContact C-N 3.28Å; H1673-K1675 PolarHBondContact O-N 3.17Å
1676	L	84.5	Confident	72.5	Confident	83 Å²	83	94.2 Å²	94.2	44%	0.435	48%	0.479	S	S	.	.	I	π-helix	trans	-105.5	-14.9	-174.5	-68.9	-177.6	0	0	0	115.3	R1672 H1673 N1680	R1672-L1676 HydrophobicContact CG-CD1 3.61Å; R1672-L1676 HydrophobicContact CG-CG 4.21Å; R1672-L1676 VanDerWaalsContact O-CB 3.27Å; R1672-L1676 WeakPolarHBondContact O-CB 3.38Å; R1672-L1676 VanDerWaalsContact O-CG 3.29Å; R1672-L1676 WeakPolarHBondContact O-CG 3.48Å; R1672-L1676 PolarHBondContact O-N 3.5Å; H1673-L1676 PolarHBondContact O-N 2.7Å; H1673-L1676 VanDerWaalsContact O-N 3.1Å; L1676-N1680 PolarHBondContact O-ND2 3.11Å
1677	V	82.7	Confident	71.6	Confident	71 Å²	71	95.8 Å²	95.8	43%	0.43	49%	0.489	S	S	.	.	I	π-helix	trans	-116.7	-45	-179.8	179.9	0	0	0	0	110.7	H1673 N1680	H1673-V1677 WeakPolarHBondContact CE1-CG1 3.44Å; H1673-V1677 VanDerWaalsContact CE1-CG2 3.43Å; H1673-V1677 WeakPolarHBondContact CE1-CG2 3.43Å; H1673-V1677 WeakPolarHBondContact ND1-CG2 3.29Å; H1673-V1677 WeakPolarHBondContact O-CB 3.34Å; H1673-V1677 PolarHBondContact O-N 3.04Å; V1677-N1680 WeakPolarHBondContact CA-ND2 3.28Å; V1677-N1680 PolarHBondContact O-ND2 2.77Å; V1677-N1680 VanDerWaalsContact O-ND2 3.14Å
1678	H	80.9	Confident	70.5	Confident	40 Å²	40	98.7 Å²	98.7	19%	0.185	50%	0.498	C	S	.	.	I	π-helix	trans	-93.5	-43	-171	-71.7	-72.5	0	0	0	114.1	C1657 Q1659 C1660 H1673 L1674 N1680	C1657-H1678 PolarHBondContact SG-NE2 2.88Å; Q1659-H1678 VanDerWaalsContact CB-ND1 3.26Å; Q1659-H1678 WeakPolarHBondContact CB-ND1 3.37Å; Q1659-H1678 PolarHBondContact O-CE1 3.06Å; Q1659-H1678 VanDerWaalsContact OE1-CB 3.24Å; Q1659-H1678 VanDerWaalsContact OE1-CG 3.31Å; Q1659-H1678 PolarHBondContact OE1-ND1 3.16Å; C1660-H1678 PolarHBondContact SG-NE2 3.42Å; H1673-H1678 AromaticContact CD2-CD2 3.66Å; H1673-H1678 AromaticContact CD2-NE2 3.89Å; H1673-H1678 AromaticContact CE1-NE2 3.88Å; H1673-H1678 AromaticContact NE2-CD2 2.67Å; H1673-H1678 PolarHBondContact NE2-CD2 3.07Å; H1673-H1678 AromaticContact NE2-CE1 3.43Å; H1673-H1678 PolarHBondContact NE2-CE1 3.28Å; H1673-H1678 AromaticContact NE2-CG 3.98Å; H1673-H1678 AromaticContact NE2-NE2 2.16Å; H1673-H1678 PolarHBondContact NE2-NE2 2.86Å; L1674-H1678 WeakPolarHBondContact O-CB 3.23Å; L1674-H1678 PolarHBondContact O-N 2.9Å; H1678-N1680 PolarHBondContact O-N 2.73Å
1679	K	65.6	Low	69.3	Low	111 Å²	111	99.9 Å²	99.9	48%	0.483	50%	0.496	S	S	.	.	S	Bend	trans	-77.8	44.4	175.4	-154.8	168.7	-179.4	171.8	0	112.7	D140 L1674	D140-K1679 WeakPolarHBondContact OD1-CE 3.3Å; D140-K1679 IonicContact OD1-NZ 2.65Å; D140-K1679 PolarHBondContact OD1-NZ 3.11Å; D140-K1679 IonicContact OD2-NZ 3.8Å; D140-K1679 PolarHBondContact OD2-NZ 3.08Å; L1674-K1679 PolarHBondContact O-N 3.32Å
1680	N	50.5	Low	68	Low	95 Å²	95	104.2 Å²	104.2	51%	0.508	52%	0.516	S	S	.	.			trans	-115.7	21	178.8	-72.7	-30.7	0	0	0	111.9	L1676 V1677 H1678 C1682	L1676-N1680 PolarHBondContact O-ND2 3.11Å; V1677-N1680 WeakPolarHBondContact CA-ND2 3.28Å; V1677-N1680 PolarHBondContact O-ND2 2.77Å; V1677-N1680 VanDerWaalsContact O-ND2 3.14Å; H1678-N1680 PolarHBondContact O-N 2.73Å; N1680-C1682 PolarHBondContact O-N 3.5Å
1681	E	36.5	Very low	66.3	Low	191 Å²	191	110 Å²	110	89%	0.893	55%	0.545	S	S	*	.			trans	-65.1	104.3	158.9	-61.9	-144.2	124.3	0	0	107.4
1682	C	32.3	Very low	64.8	Low	107 Å²	107	107.8 Å²	107.8	72%	0.723	54%	0.54	S	S	*	.			trans	-64.7	168.9	170.6	-61.6	0	0	0	0	109	N1680	N1680-C1682 PolarHBondContact O-N 3.5Å
1683	I	32.8	Very low	63	Low	155 Å²	155	108.5 Å²	108.5	80%	0.795	55%	0.554	S	S	*	*				-157.6	132.6	80.1	-81.7	143	0	0	0	110.4
1684	L	32.2	Very low	60.8	Low	241 Å²	241	115 Å²	115	100%	1.262	59%	0.589	S	S	*	*			trans	67.5	0	169.5	-76.4	160.5	0	0	0	117.5

Retrieved 1,684 of 1,684 residues in 294.7 ms (Link to these results)

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