A0A5K4FD90_SCHMA Loading...

Receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A5K4FD90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,280 aa.

						>A0A5K4FD90_SCHMA|A0A5K4FD90
MMIVKNKQIELNQSIKLNPDQDDHDVVEDVEDDQDDQDDELIHGNHLHEINYYKDNPKYENKIICKSKYTWRDISLPWKILMKNFNPNCTHILGNLIISGVDEDDDVTLLENIEEISGYLVIYGVGRKELRLSHLKLIKGHEWIIFKSRKVALLVVSNYKQNDLLSSSNVSSQSTSSVNDTGKQRYGLSHLQSLEMTSFISVVQHGIYFYDNPGLCYTPFTLKWDEMIESSELQTIDLYALHSNDNITLWLEYCQCKYLNKCMNIMNSNERSEEPSSINVSHILQSKHIYNELLKNTDDELKGRNIQKRDIHINSMNQSIVDAVNEFHQDDLNTTNLSSDEQTTHPMSQTENINKDPDPLNSNQIQSNSLSNNNEDTLEYQNMVQNDIFMPKIGSKLNEMYIDDNNLASDIIDDETTTAAMATPFENYTSSEVLNESYSTTTMDDTNISVTTNIETITPSNKISVLTTYSTIDLPSYENTTSSITVISNERIHDDNHTVKMNLSKIDNKSIMNYSMEYPSLPCHTSCPLIQGKRYCWGPGRDQCQAVHKCQIRLCEGSNWCFRTKSNEYYQKNLTYYKMNFITSSKEQCCHSECAASCYGPRARDCNACLRLSNRGVCTDSCPASKKYNKSTFSWVENPDGLLTFGMICVKSCPKTYLRDDDHCVSKCARPGYMTYQGECIPCPNSICPKICTLNEIESIKGIDYLHRKSLHAMENCTVFEGDIKLSMQSFIGDPFYNLSQIDEGVKWKDLIIGLSKLEYITGTLYISAGSHAPWMTNLTFLSNVKIIGGISPNIQQTRTVNINLNHHLEFLGMTSLQKLGHPSLLITGNPRLCYVDTIDWTSLLNDETFVDELHDKGTKISKLIKTFNTNLNNDSLAQIILRHKKDSKRKRPFKDSTIFVGGNAHFEFCKGRGAVCDELCQPHSGCWGPGRQFCTLCKYWSIENIDNGGRICMEHCEDLPGFYTPKLNDTHSNLEQMITDRSNIMIDVQNLSTAVYNNEINKSTTELINKYYSKENKIFSSAQCKKCSDMCSLQNQTCYGPNDDQCIGLCRFVQDGPFCRAYCPPNKYTDPITKKCMECSSTCTPPGDIENGNIYINNNLLNQKIENKLKYYCTGSGDWPGNGGCSFCKQTVLYLEPKNSNHHLKCVNSCPFGTYQHVINLHHRGGSSVDRQSTVSFNIKEQNSSMNRFTWSQTDANLFHNFPSKIIDEISLWLLNHTQPQLYGLAQICLPCNEQCHSEIISSRQSSLIGSSNVACYGPSPEQCVRCAYASYQGRCVSTCPSGTYPKKKSLRNFDPTLLNDYYIGYLPDNITSFECLSCHKECEIGCSGPTAEECTRCRHVKIYHDSQMKSWLCNNTCPDFSPFKIFDQKTGEIICSSDSINLHIIPYYNGQYSIENHLNSTILHNSYNNNIVTMATKNLNFLQNIHMMNYNNIWHYHYLSTQTAGLISSLSALFIMLLLLSLIIYWTIYKRSKYIRIEQYDTTINTTDNTTNTTGTNNNNNNKGNKSCFISLNKICEKFWTQGKPQLVIKKKKKEKNKEKRKKSKTFTIATKNHRSILNYKNNQLIKEKLLFHPLNWNHSLIPMNGSLLLDKDNKWMNNMDEEKSPTHSESLKPNMATLRIITESELIRGPLIGSGAFGTVYCGVWCPKFTRQKLDPINNDTYSTITNSTITPTSNVFNSKKFDWDKNTNGTETIPGGFNNDNYFNLHIPVAIKVLSDSADPQTNKELLEEAKVMATVDHPCCVRFLALCLTSKLQLITQYLPLGSLLEFIKIRWDFIEVNSLFQWSEQIASGMIYLSSRGIIHRDLAARNVLVQSKDQVQITDFGLAKCLDTTHSEYHASGGRMPIKWLAIECIQDRIFSSKSDVWAYGITLWEMCTFGHRPYENIHAKNLLDFLEKGNRLPQPETTSLDFYCLMLQCWQADPNLRPTFKELCSALCEMKATPNRYLFITPELRTSNFTNQDTSQNALEFLTSCLTDTTISLKSTHTNISSIQSYQQIYNDLNEYNNHSLLNQLNIEDYTQYTQMNYDWLNNLYVNSRINLLPEEYIQTLLNNYNYLIGINTTTDKTTTNTTDNTTNTTTDNTTTNTTDTTTNTTDNTTTNTTDTTTNTTDTTTTNITDNTTTNATNNTTNTTHNTITNTSDNTTDTTTDNTTTNTDTTTNTTNTTANNNNNYIRFQNEINKVTLPNQYIDNININDPRDNSIHHCNDILIDAEETNRNEENLVTKESEGSFMEESSENVSLSILQMDSAQISDQYYVNTVIEKNNCNEVSSSIQNQ
					

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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	28	Very low	25.6	Very low	214 Å²	214	144.3 Å²	144.3	100%	1.054	70%	0.704	S	S	*	*				0	180	0	-72.2	173.5	-178.7	0	0	108.7
2	M	21.2	Very low	25.4	Very low	150 Å²	150	144.7 Å²	144.7	74%	0.739	71%	0.712	S	S	*	*			trans	-28.5	153.1	143.7	-74.4	178.5	158.4	0	0	113.8
3	I	23.5	Very low	25.6	Very low	122 Å²	122	147.2 Å²	147.2	63%	0.626	72%	0.721	S	S	*	*			cis	-161.1	155.6	7.9	-124.2	163.8	0	0	0	111.4
4	V	24.1	Very low	25.5	Very low	48 Å²	48	143.7 Å²	143.7	29%	0.291	72%	0.718	S	S	.	*			trans	-78.4	137.3	162.2	179.1	0	0	0	0	109.3	N45 L47	V4-N45 HydrophobicContact CG2-CB 3.74Å; V4-N45 WeakPolarHBondContact CG2-OD1 3.26Å; V4-L47 HydrophobicContact CG2-CB 4.45Å; V4-L47 HydrophobicContact CG2-CD1 4.44Å
5	K	27.5	Very low	25.5	Very low	200 Å²	200	143.8 Å²	143.8	87%	0.87	72%	0.72	S	S	*	*			trans	-122.1	119.6	156.7	-141.9	176	-172.1	-179.1	0	112
6	N	25.6	Very low	25.6	Very low	112 Å²	112	146.6 Å²	146.6	60%	0.599	73%	0.726	S	S	*	*			trans	-61.9	150.1	-179.2	-68.8	-28.4	0	0	0	112.3
7	K	27.7	Very low	25.4	Very low	178 Å²	178	147.5 Å²	147.5	77%	0.774	73%	0.733	S	S	*	*			trans	-131.3	108.1	141.6	-135.6	179	-174.7	-176.8	0	108.5
8	Q	22.3	Very low	25.5	Very low	98 Å²	98	147.4 Å²	147.4	46%	0.458	74%	0.736	S	S	.	*			trans	-99.8	130.5	163.5	-175.8	170.7	-4.7	0	0	106.3
9	I	29.8	Very low	25.6	Very low	142 Å²	142	144.5 Å²	144.5	73%	0.728	73%	0.728	S	S	*	*			trans	-123.1	132.6	164.3	-69.7	179.3	0	0	0	105.7
10	E	23.5	Very low	25.5	Very low	156 Å²	156	144.9 Å²	144.9	73%	0.729	73%	0.733	S	S	*	*			trans	-88.5	150.7	177.1	-60.9	159.4	129.2	0	0	109.7
11	L	27.8	Very low	25.5	Very low	167 Å²	167	145.9 Å²	145.9	87%	0.874	74%	0.735	S	S	*	*				-170.7	113.2	129.8	-105.1	156.2	0	0	0	109.7
12	N	23.2	Very low	25.4	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	72%	0.716	S	S	*	*			trans	-89.7	127	167.2	-96.6	-35.4	0	0	0	108.8
13	Q	29.1	Very low	25.5	Very low	178 Å²	178	141.1 Å²	141.1	83%	0.832	72%	0.717	S	S	*	*			trans	-150.8	95.1	154.9	-114.8	177.3	22.1	0	0	112.6
14	S	24	Very low	25.7	Very low	98 Å²	98	144.1 Å²	144.1	69%	0.685	73%	0.728	S	S	*	*				60.7	108.9	127.2	-57.4	0	0	0	0	122.5
15	I	25.1	Very low	25.7	Very low	145 Å²	145	149.2 Å²	149.2	74%	0.744	75%	0.753	S	S	*	*				90.2	131.2	122.4	-66.5	171.1	0	0	0	120.1
16	K	26.8	Very low	25.7	Very low	189 Å²	189	145.7 Å²	145.7	82%	0.822	75%	0.748	S	S	*	*			trans	76.1	93.6	160.2	-80	163	-170.4	173	0	121
17	L	23.2	Very low	25.8	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	75%	0.75	S	S	*	*				2.7	123.2	119.2	-61.5	163.4	0	0	0	116.3
18	N	26.1	Very low	25.7	Very low	147 Å²	147	145.7 Å²	145.7	79%	0.786	75%	0.754	S	S	*	*				-160.4	156.1	80.5	-137.7	47.4	0	0	0	110.5
19	P	28.6	Very low	25.8	Very low	91 Å²	91	147.4 Å²	147.4	59%	0.591	77%	0.767	S	S	*	*			trans	-88.3	154	176.4	36	-34.3	0	0	0	112.7
20	D	23.2	Very low	25.8	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	77%	0.774	S	S	*	*				175.8	164.1	121.4	-86.2	-17.8	0	0	0	110.8
21	Q	25.4	Very low	25.8	Very low	166 Å²	166	148.1 Å²	148.1	78%	0.776	78%	0.777	S	S	*	*			trans	81.7	102.6	168.7	-55.9	-153.7	-106.5	0	0	120.9
22	D	24.9	Very low	25.8	Very low	125 Å²	125	147.7 Å²	147.7	67%	0.668	78%	0.775	S	S	*	*				75.6	119.2	118.8	-46.8	-20.6	0	0	0	122.8
23	D	23.2	Very low	26	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	77%	0.774	S	S	*	*			trans	30.8	122	144.3	-62.4	-15.4	0	0	0	122.2
24	H	29.1	Very low	26.1	Very low	184 Å²	184	147 Å²	147	85%	0.852	77%	0.772	S	S	*	*				-173.9	142.9	98.2	-98.3	-63.8	0	0	0	113.2
25	D	23.8	Very low	26.3	Very low	155 Å²	155	148.1 Å²	148.1	83%	0.829	77%	0.77	S	S	*	*			trans	-70.8	129.5	165.9	-88.8	-55.8	0	0	0	111.5
26	V	28.1	Very low	26.4	Very low	127 Å²	127	147 Å²	147	77%	0.77	77%	0.766	S	S	*	*			trans	-138	128.2	151.4	-179.1	0	0	0	0	108.5
27	V	25.8	Very low	26.5	Very low	105 Å²	105	147.2 Å²	147.2	64%	0.636	77%	0.77	S	S	*	*			trans	-124.5	124.9	163.4	177.1	0	0	0	0	106.9
28	E	27.5	Very low	26.6	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	76%	0.759	S	S	*	*			trans	-126.4	138.9	155.7	-74.6	-166.6	137.1	0	0	107.7
29	D	22.7	Very low	26.6	Very low	134 Å²	134	145 Å²	145	72%	0.717	76%	0.759	S	S	*	*			trans	-89.4	155.9	-172.9	-55.9	-77.7	0	0	0	112.2
30	V	30.2	Very low	26.3	Very low	147 Å²	147	149.2 Å²	149.2	89%	0.891	77%	0.771	S	S	*	*			trans	-134.6	112.7	153.3	-178.8	0	0	0	0	107.3
31	E	23.8	Very low	26.3	Very low	166 Å²	166	149.6 Å²	149.6	78%	0.776	77%	0.772	S	S	*	*			trans	-87.6	157.1	168.1	-61.7	177.9	130.2	0	0	109.5
32	D	29.1	Very low	26.2	Very low	159 Å²	159	147.9 Å²	147.9	85%	0.85	77%	0.766	S	S	*	*			trans	175	98.6	142.9	-91.5	-10.2	0	0	0	110.9
33	D	26.7	Very low	26.2	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	76%	0.756	S	S	*	*			trans	16.4	136.9	148.5	-52.4	-16	0	0	0	123.1
34	Q	30.2	Very low	26.3	Very low	168 Å²	168	142.3 Å²	142.3	79%	0.785	75%	0.746	S	S	*	*				179.7	122.6	93	-87.3	-156.6	-90.3	0	0	115
35	D	29.9	Very low	26.1	Very low	122 Å²	122	138.7 Å²	138.7	65%	0.652	73%	0.732	S	S	*	*			trans	58.2	99.8	133.3	-47.1	-16.4	0	0	0	124
36	D	26.6	Very low	26.6	Very low	122 Å²	122	138.7 Å²	138.7	65%	0.652	73%	0.727	S	S	*	*			trans	24.1	134.3	130.4	-55.6	-23.7	0	0	0	124.8
37	Q	28.2	Very low	26.9	Very low	194 Å²	194	137 Å²	137	91%	0.907	71%	0.713	S	S	*	*				-163.8	158.9	111.9	-108	175.3	30.8	0	0	113.1
38	D	26	Very low	27.4	Very low	117 Å²	117	139.7 Å²	139.7	63%	0.626	72%	0.718	S	S	*	*			trans	-92.9	156	-162.8	-67.9	-66.9	0	0	0	117.6	N873	D38-N873 PolarHBondContact OD1-ND2 3Å
39	D	25.2	Very low	28.2	Very low	144 Å²	144	133.8 Å²	133.8	77%	0.77	69%	0.691	S	S	*	*			trans	67.8	148	147.6	-77.2	-26.4	0	0	0	124.6
40	E	23.5	Very low	29.7	Very low	180 Å²	180	129 Å²	129	84%	0.841	67%	0.665	S	S	*	*			trans	42.9	93	167.6	-61	-162.2	139.8	0	0	120.4
41	L	22.8	Very low	31	Very low	160 Å²	160	125.8 Å²	125.8	84%	0.838	64%	0.643	S	S	*	*			trans	179.2	117.7	130.5	-99	152.8	0	0	0	117
42	I	24.1	Very low	32.8	Very low	129 Å²	129	121 Å²	121	66%	0.662	62%	0.618	S	S	*	*			trans	30	121.9	140	-58.4	175.7	0	0	0	121.2
43	H	24.8	Very low	34.7	Very low	98 Å²	98	113.8 Å²	113.8	45%	0.454	58%	0.579	S	S	.	*			trans	62.4	117	157.2	-74.9	-53	0	0	0	120.5
44	G	23.8	Very low	36.4	Very low	51 Å²	51	111.6 Å²	111.6	53%	0.526	56%	0.563	S	S	.	*			trans	178.8	148.6	151.3	0	0	0	0	0	115.3
45	N	26.3	Very low	38.1	Very low	107 Å²	107	108.7 Å²	108.7	57%	0.572	55%	0.553	S	S	*	*			trans	69.4	51.1	144.2	-52.6	5.9	0	0	0	120.7	V4	V4-N45 HydrophobicContact CG2-CB 3.74Å; V4-N45 WeakPolarHBondContact CG2-OD1 3.26Å
46	H	33.1	Very low	40.1	Very low	155 Å²	155	103.2 Å²	103.2	72%	0.718	52%	0.523	S	S	*	.			trans	-102.4	95.7	152.5	-70	-81.8	0	0	0	110.6	K68	H46-K68 PolarHBondContact CD2-NZ 3.44Å; H46-K68 PolarHBondContact NE2-NZ 2.82Å
47	L	35.2	Very low	42.4	Very low	91 Å²	91	101 Å²	101	48%	0.476	52%	0.516	S	S	.	.			trans	-143.6	12.6	179	-115.4	166.4	0	0	0	115.7	V4	V4-L47 HydrophobicContact CG2-CB 4.45Å; V4-L47 HydrophobicContact CG2-CD1 4.44Å
48	H	36.2	Very low	44.6	Very low	162 Å²	162	93.5 Å²	93.5	75%	0.75	48%	0.48	S	S	*	.			trans	-92.6	154.8	161.5	-73.7	-82	0	0	0	110.2
49	E	43.8	Very low	46.9	Very low	61 Å²	61	88.4 Å²	88.4	29%	0.285	45%	0.452	S	S	.	.			trans	73.5	58.8	-176.2	-53.3	-153.4	118.8	0	0	118.3	P654 K655 T656	E49-P654 WeakPolarHBondContact OE2-CB 3.47Å; E49-K655 PolarHBondContact OE1-N 3.46Å; E49-K655 PolarHBondContact OE2-N 2.96Å; E49-T656 WeakPolarHBondContact OE2-CB 3.17Å; E49-T656 WeakPolarHBondContact OE2-CG2 3.43Å; E49-T656 PolarHBondContact OE2-N 2.87Å; E49-T656 PolarHBondContact OE2-OG1 3.16Å
50	I	54.3	Low	48.9	Very low	33 Å²	33	86.7 Å²	86.7	17%	0.169	44%	0.439	C	S	.	.			trans	-130.1	23.1	151.1	-29.9	179.7	0	0	0	112.8	Y52 Y53 I64 K66 L93	I50-Y52 VanDerWaalsContact C-N 3.34Å; I50-Y52 PolarHBondContact O-N 3.28Å; I50-Y53 HydrophobicContact CG2-CD2 3.98Å; I50-Y53 HydrophobicContact CG2-CG 4.45Å; I50-I64 HydrophobicContact CD1-CG2 4.5Å; I50-I64 HydrophobicContact CG2-CB 4.47Å; I50-I64 HydrophobicContact CG2-CG2 4.22Å; I50-K66 HydrophobicContact CD1-CB 4.3Å; I50-L93 HydrophobicContact CG2-CD1 4.17Å
51	N	58	Low	51.2	Low	79 Å²	79	85.8 Å²	85.8	42%	0.422	44%	0.44	S	S	.	.	H	α-helix	trans	-64.8	-35.5	178.2	-79.9	4.2	0	0	0	112.9	Y53 K54 D55	N51-Y53 PolarHBondContact O-N 2.75Å; N51-K54 WeakPolarHBondContact O-CA 3.4Å; N51-K54 WeakPolarHBondContact O-CB 3.35Å; N51-K54 PolarHBondContact O-N 3.22Å; N51-D55 PolarHBondContact O-N 3.14Å
52	Y	61.4	Low	53.7	Low	66 Å²	66	81.2 Å²	81.2	26%	0.259	41%	0.414	S	S	.	.	H	α-helix	trans	-53.3	-23.5	-179.5	-66	-79.7	0	0	0	115.3	I50 I648 V650 P654	I50-Y52 VanDerWaalsContact C-N 3.34Å; I50-Y52 PolarHBondContact O-N 3.28Å; Y52-I648 WeakPolarHBondContact O-CD1 3.43Å; Y52-V650 HydrophobicContact CD1-CB 4.42Å; Y52-V650 HydrophobicContact CD1-CG1 4.08Å; Y52-V650 HydrophobicContact CG-CG1 4.38Å; Y52-P654 HydrophobicContact CD2-CB 4.34Å; Y52-P654 HydrophobicContact CD2-CG 3.87Å; Y52-P654 HydrophobicContact CE2-CB 3.77Å; Y52-P654 HydrophobicContact CE2-CG 3.71Å
53	Y	68.5	Low	56.5	Low	8 Å²	8	78.1 Å²	78.1	3%	0.031	40%	0.398	C	S	.	.	H	α-helix	trans	-86.6	-30.3	173.2	-77.7	-104	0	0	0	113.1	I50 N51 D55 N56 Y59 I64 L93 F645 M647 I648	I50-Y53 HydrophobicContact CG2-CD2 3.98Å; I50-Y53 HydrophobicContact CG2-CG 4.45Å; N51-Y53 PolarHBondContact O-N 2.75Å; Y53-D55 PolarHBondContact O-N 2.95Å; Y53-N56 WeakPolarHBondContact O-CB 3.44Å; Y53-N56 PolarHBondContact O-N 2.87Å; Y53-Y59 AromaticContact CD1-CD2 3.84Å; Y53-Y59 HydrophobicContact CD1-CD2 3.84Å; Y53-Y59 HydrophobicContact CD1-CE2 4.04Å; Y53-Y59 HydrophobicContact CD1-CG 4.4Å; Y53-Y59 HydrophobicContact CE1-CE2 4.34Å; Y53-I64 HydrophobicContact CD1-CD1 4.11Å; Y53-I64 HydrophobicContact CG-CD1 3.9Å; Y53-L93 HydrophobicContact CE1-CD2 4.45Å; Y53-L93 HydrophobicContact CE2-CD1 4.22Å; Y53-F645 HydrophobicContact CD2-CE1 4.3Å; Y53-F645 AromaticContact CE2-CD1 3.9Å; Y53-F645 HydrophobicContact CE2-CD1 3.9Å; Y53-F645 AromaticContact CE2-CE1 3.68Å; Y53-F645 HydrophobicContact CE2-CE1 3.68Å; Y53-F645 PolarHBondContact OH-O 3.31Å; Y53-M647 HydrophobicContact CE1-CB 4.41Å; Y53-M647 PolarHBondContact OH-N 2.97Å; Y53-I648 HydrophobicContact CD1-CD1 4.15Å; Y53-I648 HydrophobicContact CD1-CG1 4.43Å; Y53-I648 HydrophobicContact CD1-CG2 3.96Å; Y53-I648 HydrophobicContact CD2-CD1 3.58Å; Y53-I648 HydrophobicContact CD2-CG1 4.3Å; Y53-I648 HydrophobicContact CE1-CD1 4.22Å; Y53-I648 HydrophobicContact CE1-CG1 4.05Å; Y53-I648 HydrophobicContact CE1-CG2 3.83Å; Y53-I648 HydrophobicContact CE2-CD1 3.63Å; Y53-I648 HydrophobicContact CE2-CG1 3.88Å; Y53-I648 HydrophobicContact CG-CD1 3.82Å
54	K	63.6	Low	59.1	Low	96 Å²	96	74.5 Å²	74.5	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-61.3	-36.6	173.7	-63.8	-173.1	173	-168.8	0	111.4	N51 N56	N51-K54 WeakPolarHBondContact O-CA 3.4Å; N51-K54 WeakPolarHBondContact O-CB 3.35Å; N51-K54 PolarHBondContact O-N 3.22Å; K54-N56 PolarHBondContact O-N 2.62Å; K54-N56 VanDerWaalsContact O-N 3.08Å
55	D	65.4	Low	62	Low	108 Å²	108	72.7 Å²	72.7	58%	0.578	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	4.1	178.6	-51.1	-43	0	0	0	113.7	N51 Y53	N51-D55 PolarHBondContact O-N 3.14Å; Y53-D55 PolarHBondContact O-N 2.95Å
56	N	72	Confident	64.5	Low	7 Å²	7	73.4 Å²	73.4	4%	0.037	36%	0.359	C	S	.	.	S	Bend	trans	-111.1	116.3	178.7	-169.1	-58.5	0	0	0	109.9	Y53 K54 K58 Y59 E60 S613 G616 I648	Y53-N56 WeakPolarHBondContact O-CB 3.44Å; Y53-N56 PolarHBondContact O-N 2.87Å; K54-N56 PolarHBondContact O-N 2.62Å; K54-N56 VanDerWaalsContact O-N 3.08Å; N56-K58 PolarHBondContact O-N 3.08Å; N56-K58 PolarHBondContact OD1-N 2.94Å; N56-Y59 HydrophobicContact CB-CD2 4.28Å; N56-Y59 CarbonylContact O-C 2.89Å; N56-Y59 PolarHBondContact O-N 2.86Å; N56-E60 PolarHBondContact O-N 2.91Å; N56-S613 PolarHBondContact ND2-O 2.86Å; N56-S613 PolarHBondContact ND2-OG 3.03Å; N56-S613 VanDerWaalsContact ND2-OG 3.08Å; N56-S613 PolarHBondContact OD1-OG 2.94Å; N56-G616 PolarHBondContact OD1-N 2.89Å; N56-G616 VanDerWaalsContact OD1-N 3.12Å; N56-I648 HydrophobicContact CB-CG2 4.44Å; N56-I648 WeakPolarHBondContact ND2-CG2 3.4Å
57	P	73.4	Confident	66.8	Low	76 Å²	76	66.7 Å²	66.7	49%	0.494	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-14	-175.9	-31.7	36.5	0	0	0	117.1	E60	P57-E60 WeakPolarHBondContact CA-OE2 3.45Å
58	K	74.9	Confident	68.8	Low	36 Å²	36	69.5 Å²	69.5	16%	0.157	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-22.4	174.4	-136.4	175.1	-161.7	71.4	0	114.4	N56 C606 N607 C609 G616	N56-K58 PolarHBondContact O-N 3.08Å; N56-K58 PolarHBondContact OD1-N 2.94Å; K58-C606 WeakPolarHBondContact CE-O 3.36Å; K58-C606 PolarHBondContact NZ-O 3.31Å; K58-N607 WeakPolarHBondContact CE-O 3.4Å; K58-C609 WeakPolarHBondContact CD-SG 3.41Å; K58-C609 WeakPolarHBondContact CE-SG 3.21Å; K58-G616 PolarHBondContact NZ-O 3.35Å
59	Y	74.5	Confident	70.9	Confident	10 Å²	10	63 Å²	63	4%	0.039	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	6.2	178.7	-51.4	-68.6	0	0	0	112	Y53 N56 K62 H91 K139 I648	Y53-Y59 AromaticContact CD1-CD2 3.84Å; Y53-Y59 HydrophobicContact CD1-CD2 3.84Å; Y53-Y59 HydrophobicContact CD1-CE2 4.04Å; Y53-Y59 HydrophobicContact CD1-CG 4.4Å; Y53-Y59 HydrophobicContact CE1-CE2 4.34Å; N56-Y59 HydrophobicContact CB-CD2 4.28Å; N56-Y59 CarbonylContact O-C 2.89Å; N56-Y59 PolarHBondContact O-N 2.86Å; Y59-K62 VanDerWaalsContact O-CB 3.28Å; Y59-K62 WeakPolarHBondContact O-CB 3.47Å; Y59-K62 PolarHBondContact O-N 2.71Å; Y59-H91 AromaticContact CD1-CD2 3.85Å; Y59-H91 AromaticContact CD1-NE2 3.96Å; Y59-H91 AromaticContact CE1-CD2 4Å; Y59-K139 PolarHBondContact OH-NZ 2.8Å; Y59-I648 HydrophobicContact CD2-CG2 4.25Å; Y59-I648 HydrophobicContact CE2-CG2 3.89Å
60	E	68.1	Low	72.8	Confident	107 Å²	107	62.4 Å²	62.4	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	136.9	168.8	-171.5	169	-168.5	0	0	110	N56 P57 K62	N56-E60 PolarHBondContact O-N 2.91Å; P57-E60 WeakPolarHBondContact CA-OE2 3.45Å; E60-K62 PolarHBondContact O-N 3.35Å; E60-K62 VanDerWaalsContact O-N 3.12Å
61	N	70.6	Confident	73.9	Confident	162 Å²	162	64.1 Å²	64.1	87%	0.866	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	10.2	-170.4	-56.3	-53	0	0	0	116.4
62	K	75.7	Confident	74.9	Confident	63 Å²	63	67.9 Å²	67.9	27%	0.274	32%	0.32	S	S	.	.			trans	-94	134.3	173	-57.4	-55.5	-169.5	176.5	0	112.2	Y59 E60 E114	Y59-K62 VanDerWaalsContact O-CB 3.28Å; Y59-K62 WeakPolarHBondContact O-CB 3.47Å; Y59-K62 PolarHBondContact O-N 2.71Å; E60-K62 PolarHBondContact O-N 3.35Å; E60-K62 VanDerWaalsContact O-N 3.12Å; K62-E114 WeakPolarHBondContact CE-OE1 3.15Å; K62-E114 IonicContact NZ-OE1 3.57Å; K62-E114 PolarHBondContact NZ-OE1 3.3Å; K62-E114 IonicContact NZ-OE2 3.85Å; K62-E114 PolarHBondContact NZ-OE2 3.34Å
63	I	82	Confident	75.8	Confident	64 Å²	64	66.9 Å²	66.9	33%	0.328	32%	0.319	S	S	.	.			trans	-87.4	113.5	171.3	-64.1	177.5	0	0	0	108.3	N86 N88 T90 H91	I63-N86 HydrophobicContact CG2-CB 4.45Å; I63-N88 WeakPolarHBondContact CB-O 3.46Å; I63-N88 HydrophobicContact CD1-CB 3.75Å; I63-N88 WeakPolarHBondContact CD1-O 3.33Å; I63-T90 PolarHBondContact N-OG1 2.63Å; I63-T90 VanDerWaalsContact N-OG1 3.1Å; I63-T90 PolarHBondContact O-N 2.88Å; I63-T90 PolarHBondContact O-OG1 3.32Å; I63-H91 PolarHBondContact O-N 3.42Å; I63-H91 VanDerWaalsContact O-N 3.07Å
64	I	80.1	Confident	76.4	Confident	22 Å²	22	68.4 Å²	68.4	11%	0.113	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.7	-179.4	-56.2	163.4	0	0	0	109.4	I50 Y53 H91 L93	I50-I64 HydrophobicContact CD1-CG2 4.5Å; I50-I64 HydrophobicContact CG2-CB 4.47Å; I50-I64 HydrophobicContact CG2-CG2 4.22Å; Y53-I64 HydrophobicContact CD1-CD1 4.11Å; Y53-I64 HydrophobicContact CG-CD1 3.9Å; I64-H91 CarbonylContact C-O 3.22Å; I64-H91 VanDerWaalsContact CA-O 3.3Å; I64-H91 WeakPolarHBondContact CA-O 3.48Å; I64-H91 HydrophobicContact CB-CB 4.42Å; I64-H91 HydrophobicContact CG1-CB 3.91Å; I64-H91 HydrophobicContact CG2-CB 4.47Å; I64-L93 HydrophobicContact CG2-CB 4.48Å; I64-L93 HydrophobicContact CG2-CD1 3.61Å; I64-L93 HydrophobicContact CG2-CG 3.75Å
65	C	84.2	Confident	77.2	Confident	14 Å²	14	68.6 Å²	68.6	10%	0.095	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.9	175	-46.1	0	0	0	0	110.3	F85 C89 H91 I92 L93	C65-F85 HydrophobicContact CB-CD1 3.71Å; C65-F85 HydrophobicContact CB-CE1 4.01Å; C65-C89 HydrophobicContact CB-CB 4.29Å; C65-C89 WeakPolarHBondContact CB-SG 3.29Å; C65-C89 PolarHBondContact N-SG 2.93Å; C65-C89 VanDerWaalsContact N-SG 3.37Å; C65-C89 WeakPolarHBondContact SG-CB 3.36Å; C65-C89 CovalentContact SG-SG 2.03Å; C65-C89 PolarHBondContact SG-SG 3.3Å; C65-H91 PolarHBondContact N-O 3.47Å; C65-I92 WeakPolarHBondContact O-CA 3.36Å; C65-L93 PolarHBondContact O-N 3.33Å
66	K	79.7	Confident	77.9	Confident	122 Å²	122	65.9 Å²	65.9	53%	0.53	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117	176.5	-172.1	170.4	179.4	173.1	0	109.8	I50 L93 Y657	I50-K66 HydrophobicContact CD1-CB 4.3Å; K66-L93 CarbonylContact C-O 3.53Å; K66-L93 WeakPolarHBondContact CA-O 3.12Å; K66-Y657 PolarHBondContact NZ-OH 3.03Å
67	S	80.8	Confident	78.6	Confident	14 Å²	14	68.4 Å²	68.4	10%	0.098	34%	0.343	C	S	.	.			trans	-77.9	147	170.8	-168.8	0	0	0	0	110.2	Y69 L93 N95	S67-Y69 PolarHBondContact OG-N 2.89Å; S67-L93 PolarHBondContact N-O 2.04Å; S67-N95 WeakPolarHBondContact CB-O 3.32Å; S67-N95 PolarHBondContact OG-O 2.83Å
68	K	77.2	Confident	79.3	Confident	149 Å²	149	65 Å²	65	65%	0.648	32%	0.32	S	S	*	.			trans	-113.6	-0.3	162.6	-69	-166.5	-179.1	-172.2	0	112	H46	H46-K68 PolarHBondContact CD2-NZ 3.44Å; H46-K68 PolarHBondContact NE2-NZ 2.82Å
69	Y	79.7	Confident	79.7	Confident	25 Å²	25	69.7 Å²	69.7	10%	0.098	34%	0.34	C	S	.	.			trans	-82.6	144.5	-172.9	-59.4	-74.8	0	0	0	111.6	S67 D73 L81 N84 F85 N95	S67-Y69 PolarHBondContact OG-N 2.89Å; Y69-D73 HydrophobicContact CD1-CB 4.24Å; Y69-L81 HydrophobicContact CD1-CD2 3.62Å; Y69-L81 HydrophobicContact CE1-CD2 3.82Å; Y69-L81 WeakPolarHBondContact CE2-O 3.32Å; Y69-L81 HydrophobicContact CG-CD2 4.03Å; Y69-L81 PolarHBondContact OH-O 3.13Å; Y69-N84 PolarHBondContact OH-ND2 2.84Å; Y69-F85 AromaticContact CD2-CE2 3.98Å; Y69-F85 HydrophobicContact CD2-CE2 3.98Å; Y69-F85 HydrophobicContact CD2-CZ 4.5Å; Y69-F85 AromaticContact CE2-CE2 3.91Å; Y69-F85 HydrophobicContact CE2-CE2 3.91Å; Y69-N95 PolarHBondContact O-ND2 3.05Å
70	T	83.9	Confident	80.2	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.301	36%	0.355	S	S	.	.			trans	-131.3	165.6	-178	68.9	0	0	0	0	109.7	R72 D73 I97 Y119	T70-R72 PolarHBondContact O-N 3.24Å; T70-D73 PolarHBondContact N-OD2 3.05Å; T70-D73 VanDerWaalsContact O-CB 3.29Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.67Å; T70-D73 VanDerWaalsContact O-OD2 3.05Å; T70-D73 PolarHBondContact OG1-OD2 2.82Å; T70-I97 WeakPolarHBondContact O-CD1 3.34Å; T70-Y119 WeakPolarHBondContact CA-OH 2.98Å
71	W	78.1	Confident	80.9	Confident	70 Å²	70	67.5 Å²	67.5	27%	0.265	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.1	-19.9	-177.3	81.2	-103.1	0	0	0	114.8	D73 I74 Y119 I144 Q1964	W71-D73 PolarHBondContact O-N 2.98Å; W71-I74 VanDerWaalsContact O-CB 3.28Å; W71-I74 WeakPolarHBondContact O-CB 3.26Å; W71-I74 VanDerWaalsContact O-CG2 3.26Å; W71-I74 WeakPolarHBondContact O-CG2 3.47Å; W71-I74 PolarHBondContact O-N 2.94Å; W71-Y119 HydrophobicContact CB-CE2 4.45Å; W71-Y119 PolarHBondContact N-OH 2.93Å; W71-I144 HydrophobicContact CB-CG2 3.79Å; W71-I144 HydrophobicContact CG-CG2 4.07Å; W71-Q1964 HydrophobicContact CH2-CG 4.5Å; W71-Q1964 HydrophobicContact CZ2-CG 3.49Å; W71-Q1964 VanDerWaalsContact CZ2-CG 3.49Å
72	R	78.5	Confident	81.6	Confident	157 Å²	157	61.6 Å²	61.6	59%	0.592	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-59.1	-28.1	171.1	-61.4	-174.2	-178.1	-154.9	-0	112.7	T70 I74 Q1964	T70-R72 PolarHBondContact O-N 3.24Å; R72-I74 PolarHBondContact O-N 3.4Å; R72-Q1964 VanDerWaalsContact CZ-OE1 3.25Å; R72-Q1964 VanDerWaalsContact NE-CD 3.25Å
73	D	80.9	Confident	81.7	Confident	46 Å²	46	64.2 Å²	64.2	25%	0.246	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-82.1	4.9	-177.4	-54.5	-64.3	0	0	0	113.2	Y69 T70 W71 S75 L76 L81	Y69-D73 HydrophobicContact CD1-CB 4.24Å; T70-D73 PolarHBondContact N-OD2 3.05Å; T70-D73 VanDerWaalsContact O-CB 3.29Å; T70-D73 WeakPolarHBondContact O-CB 3.47Å; T70-D73 PolarHBondContact O-N 2.67Å; T70-D73 VanDerWaalsContact O-OD2 3.05Å; T70-D73 PolarHBondContact OG1-OD2 2.82Å; W71-D73 PolarHBondContact O-N 2.98Å; D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact O-N 3.12Å; D73-L76 HydrophobicContact CB-CD1 4.12Å; D73-L76 WeakPolarHBondContact O-CB 3.32Å; D73-L76 PolarHBondContact O-N 3.28Å; D73-L81 HydrophobicContact CB-CD2 4.33Å
74	I	81.5	Confident	81.3	Confident	39 Å²	39	64.7 Å²	64.7	20%	0.2	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.9	-17.6	-178.8	-160.4	173.2	0	0	0	113.8	W71 R72 L76 S99 V121 Y123	W71-I74 VanDerWaalsContact O-CB 3.28Å; W71-I74 WeakPolarHBondContact O-CB 3.26Å; W71-I74 VanDerWaalsContact O-CG2 3.26Å; W71-I74 WeakPolarHBondContact O-CG2 3.47Å; W71-I74 PolarHBondContact O-N 2.94Å; R72-I74 PolarHBondContact O-N 3.4Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-S99 WeakPolarHBondContact O-CB 3.28Å; I74-S99 PolarHBondContact O-OG 3.08Å; I74-V121 HydrophobicContact CD1-CG1 3.8Å; I74-V121 HydrophobicContact CG1-CG1 4.48Å; I74-Y123 HydrophobicContact CD1-CD1 3.95Å; I74-Y123 HydrophobicContact CD1-CD2 4.32Å; I74-Y123 HydrophobicContact CD1-CG 3.77Å; I74-Y123 HydrophobicContact CG1-CD1 3.69Å; I74-Y123 HydrophobicContact CG1-CE1 4.39Å; I74-Y123 HydrophobicContact CG1-CG 3.98Å
75	S	79.5	Confident	81.3	Confident	100 Å²	100	65 Å²	65	70%	0.699	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-78.2	-11.2	173.2	55.7	0	0	0	0	113.9	D73	D73-S75 PolarHBondContact O-N 2.84Å; D73-S75 VanDerWaalsContact O-N 3.12Å
76	L	81.5	Confident	81.2	Confident	51 Å²	51	67.6 Å²	67.6	27%	0.267	33%	0.328	S	S	.	.	S	Bend	trans	-81.9	128	178.2	-58.8	-178.6	0	0	0	110.7	D73 I74 I80 L81	D73-L76 HydrophobicContact CB-CD1 4.12Å; D73-L76 WeakPolarHBondContact O-CB 3.32Å; D73-L76 PolarHBondContact O-N 3.28Å; I74-L76 VanDerWaalsContact C-N 3.3Å; L76-I80 HydrophobicContact CB-CB 4.49Å; L76-I80 HydrophobicContact CD1-CG2 4.17Å; L76-L81 HydrophobicContact CB-CD2 3.98Å; L76-L81 HydrophobicContact CB-CG 4.07Å; L76-L81 HydrophobicContact CD1-CD2 4.12Å; L76-L81 WeakPolarHBondContact O-CD1 3.14Å
77	P	85	Confident	81.3	Confident	60 Å²	60	65.4 Å²	65.4	39%	0.39	33%	0.326	S	S	.	.			trans	-67.9	154	175.4	28.4	-35.4	0	0	0	111.6	K79 I80 L81 S99	P77-K79 PolarHBondContact O-N 2.91Å; P77-I80 HydrophobicContact CG-CD1 4.12Å; P77-I80 HydrophobicContact CG-CG1 4.24Å; P77-I80 PolarHBondContact O-N 3.03Å; P77-L81 PolarHBondContact O-N 3.36Å; P77-S99 CarbonylContact C-O 3.47Å
78	W	88.6	Confident	81.4	Confident	6 Å²	6	69.2 Å²	69.2	2%	0.023	35%	0.346	C	S	.	.	H	α-helix	trans	-44.2	-44.8	-175.4	178.1	-118.5	0	0	0	114.1	I80 L81 M82 I98 S99 V101 D106 V107 L110	W78-I80 PolarHBondContact O-N 3.2Å; W78-I80 VanDerWaalsContact O-N 3.09Å; W78-L81 PolarHBondContact O-N 3.31Å; W78-M82 HydrophobicContact CD2-CG 3.57Å; W78-M82 HydrophobicContact CE3-CG 3.87Å; W78-M82 HydrophobicContact CG-CG 4.22Å; W78-M82 HydrophobicContact CH2-CG 3.68Å; W78-M82 HydrophobicContact CH2-SD 3.38Å; W78-M82 WeakPolarHBondContact CH2-SD 3.47Å; W78-M82 HydrophobicContact CZ2-CE 4.3Å; W78-M82 HydrophobicContact CZ2-CG 3.39Å; W78-M82 HydrophobicContact CZ2-SD 3.37Å; W78-M82 WeakPolarHBondContact CZ2-SD 3.39Å; W78-M82 HydrophobicContact CZ3-CG 3.91Å; W78-M82 HydrophobicContact CZ3-SD 4.02Å; W78-M82 VanDerWaalsContact O-CB 3.29Å; W78-M82 WeakPolarHBondContact O-CB 3.41Å; W78-M82 WeakPolarHBondContact O-CG 3.05Å; W78-M82 PolarHBondContact O-N 3.37Å; W78-I98 HydrophobicContact CE3-CG2 4.22Å; W78-I98 HydrophobicContact CZ3-CB 4.32Å; W78-I98 HydrophobicContact CZ3-CG1 3.93Å; W78-I98 HydrophobicContact CZ3-CG2 4.25Å; W78-S99 WeakPolarHBondContact CA-O 3.41Å; W78-S99 WeakPolarHBondContact CB-O 3.06Å; W78-S99 PolarHBondContact N-O 2.04Å; W78-V101 HydrophobicContact CB-CG2 3.77Å; W78-V101 HydrophobicContact CD2-CG2 4.04Å; W78-V101 HydrophobicContact CE3-CG2 4.41Å; W78-V101 HydrophobicContact CG-CG2 3.78Å; W78-D106 PolarHBondContact NE1-O 3.48Å; W78-V107 HydrophobicContact CZ2-CB 4.48Å; W78-V107 HydrophobicContact CZ2-CG1 4.42Å; W78-L110 HydrophobicContact CH2-CD1 4.15Å; W78-L110 HydrophobicContact CH2-CD2 3.55Å; W78-L110 HydrophobicContact CH2-CG 3.76Å; W78-L110 HydrophobicContact CZ2-CD1 4.28Å; W78-L110 HydrophobicContact CZ2-CD2 4.29Å; W78-L110 HydrophobicContact CZ2-CG 3.99Å; W78-L110 HydrophobicContact CZ3-CD2 4.33Å
79	K	84.6	Confident	82	Confident	133 Å²	133	62.1 Å²	62.1	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-55.7	-24.7	177.7	-63.4	-178.3	176.5	97.2	0	114.6	P77 D105	P77-K79 PolarHBondContact O-N 2.91Å; K79-D105 WeakPolarHBondContact CE-OD1 3.37Å; K79-D105 IonicContact NZ-OD1 2.67Å; K79-D105 PolarHBondContact NZ-OD1 2.65Å; K79-D105 IonicContact NZ-OD2 2.85Å
80	I	83.7	Confident	82.4	Confident	68 Å²	68	62 Å²	62	35%	0.349	32%	0.316	S	S	.	.	H	α-helix	trans	-89.7	-46.7	176.4	-60.7	-176	0	0	0	110.9	L76 P77 W78 M82 K83	L76-I80 HydrophobicContact CB-CB 4.49Å; L76-I80 HydrophobicContact CD1-CG2 4.17Å; P77-I80 HydrophobicContact CG-CD1 4.12Å; P77-I80 HydrophobicContact CG-CG1 4.24Å; P77-I80 PolarHBondContact O-N 3.03Å; W78-I80 PolarHBondContact O-N 3.2Å; W78-I80 VanDerWaalsContact O-N 3.09Å; I80-M82 VanDerWaalsContact C-N 3.29Å; I80-M82 PolarHBondContact O-N 3.34Å; I80-K83 VanDerWaalsContact O-CB 3.3Å; I80-K83 WeakPolarHBondContact O-CB 3.44Å; I80-K83 PolarHBondContact O-N 3.37Å
81	L	83.3	Confident	82.6	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-40.1	179	-64.3	172.3	0	0	0	111.7	Y69 D73 L76 P77 W78 K83 F85 I97	Y69-L81 HydrophobicContact CD1-CD2 3.62Å; Y69-L81 HydrophobicContact CE1-CD2 3.82Å; Y69-L81 WeakPolarHBondContact CE2-O 3.32Å; Y69-L81 HydrophobicContact CG-CD2 4.03Å; Y69-L81 PolarHBondContact OH-O 3.13Å; D73-L81 HydrophobicContact CB-CD2 4.33Å; L76-L81 HydrophobicContact CB-CD2 3.98Å; L76-L81 HydrophobicContact CB-CG 4.07Å; L76-L81 HydrophobicContact CD1-CD2 4.12Å; L76-L81 WeakPolarHBondContact O-CD1 3.14Å; P77-L81 PolarHBondContact O-N 3.36Å; W78-L81 PolarHBondContact O-N 3.31Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 2.85Å; L81-F85 WeakPolarHBondContact O-CD2 3.26Å; L81-I97 HydrophobicContact CD1-CB 4.23Å; L81-I97 HydrophobicContact CD1-CG2 3.92Å
82	M	84.3	Confident	83	Confident	38 Å²	38	57.1 Å²	57.1	19%	0.187	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-68.6	-25	179.5	-85.8	-63.2	-64.7	0	0	115.3	W78 I80 N84 F85 L109	W78-M82 HydrophobicContact CD2-CG 3.57Å; W78-M82 HydrophobicContact CE3-CG 3.87Å; W78-M82 HydrophobicContact CG-CG 4.22Å; W78-M82 HydrophobicContact CH2-CG 3.68Å; W78-M82 HydrophobicContact CH2-SD 3.38Å; W78-M82 WeakPolarHBondContact CH2-SD 3.47Å; W78-M82 HydrophobicContact CZ2-CE 4.3Å; W78-M82 HydrophobicContact CZ2-CG 3.39Å; W78-M82 HydrophobicContact CZ2-SD 3.37Å; W78-M82 WeakPolarHBondContact CZ2-SD 3.39Å; W78-M82 HydrophobicContact CZ3-CG 3.91Å; W78-M82 HydrophobicContact CZ3-SD 4.02Å; W78-M82 VanDerWaalsContact O-CB 3.29Å; W78-M82 WeakPolarHBondContact O-CB 3.41Å; W78-M82 WeakPolarHBondContact O-CG 3.05Å; W78-M82 PolarHBondContact O-N 3.37Å; I80-M82 VanDerWaalsContact C-N 3.29Å; I80-M82 PolarHBondContact O-N 3.34Å; M82-N84 PolarHBondContact O-N 3.48Å; M82-F85 PolarHBondContact O-N 3.29Å; M82-L109 HydrophobicContact CE-CB 3.62Å; M82-L109 HydrophobicContact CE-CD2 3.62Å; M82-L109 HydrophobicContact CE-CG 4.21Å; M82-L109 HydrophobicContact SD-CB 4.18Å; M82-L109 HydrophobicContact SD-CD2 3.41Å; M82-L109 WeakPolarHBondContact SD-CD2 3.01Å; M82-L109 HydrophobicContact SD-CG 4.38Å
83	K	79.6	Confident	83.2	Confident	119 Å²	119	51.5 Å²	51.5	52%	0.517	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-59.6	-20.2	-164.6	-169.9	175.1	179.4	179	0	114.9	I80 L81	I80-K83 VanDerWaalsContact O-CB 3.3Å; I80-K83 WeakPolarHBondContact O-CB 3.44Å; I80-K83 PolarHBondContact O-N 3.37Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 2.85Å
84	N	73.7	Confident	83.4	Confident	74 Å²	74	49.7 Å²	49.7	40%	0.396	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-110.7	-1.3	-176.9	-62	-56.2	0	0	0	114	Y69 M82	Y69-N84 PolarHBondContact OH-ND2 2.84Å; M82-N84 PolarHBondContact O-N 3.48Å
85	F	80.3	Confident	83.8	Confident	28 Å²	28	48.1 Å²	48.1	12%	0.123	26%	0.259	C	S	.	.	S	Bend	trans	-88.8	149.2	176.2	-77.3	-85.3	0	0	0	111.8	C65 Y69 L81 M82 I92 L109	C65-F85 HydrophobicContact CB-CD1 3.71Å; C65-F85 HydrophobicContact CB-CE1 4.01Å; Y69-F85 AromaticContact CD2-CE2 3.98Å; Y69-F85 HydrophobicContact CD2-CE2 3.98Å; Y69-F85 HydrophobicContact CD2-CZ 4.5Å; Y69-F85 AromaticContact CE2-CE2 3.91Å; Y69-F85 HydrophobicContact CE2-CE2 3.91Å; L81-F85 WeakPolarHBondContact O-CD2 3.26Å; M82-F85 PolarHBondContact O-N 3.29Å; F85-I92 HydrophobicContact CE1-CD1 3.9Å; F85-I92 HydrophobicContact CE1-CG1 4.1Å; F85-I92 HydrophobicContact CE1-CG2 4.39Å; F85-I92 HydrophobicContact CZ-CD1 4.39Å; F85-L109 HydrophobicContact CB-CD2 3.87Å; F85-L109 HydrophobicContact CG-CD2 4.29Å
86	N	81.8	Confident	84.5	Confident	68 Å²	68	43.5 Å²	43.5	36%	0.364	23%	0.227	S	C	.	.			trans	-75.3	128.5	168.6	-179.2	-23.2	0	0	0	108.4	I63 N88 C89 L109	I63-N86 HydrophobicContact CG2-CB 4.45Å; N86-N88 PolarHBondContact O-N 3.18Å; N86-N88 VanDerWaalsContact O-N 3.09Å; N86-N88 PolarHBondContact OD1-N 2.9Å; N86-C89 WeakPolarHBondContact O-CB 3.3Å; N86-C89 PolarHBondContact O-N 2.69Å; N86-L109 VanDerWaalsContact O-CD1 3.25Å; N86-L109 WeakPolarHBondContact O-CD1 3.44Å
87	P	80.3	Confident	85	Confident	76 Å²	76	41.4 Å²	41.4	49%	0.494	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.1	-179.1	23.5	-34.9	0	0	0	114.1	C89 L109 N112	P87-C89 VanDerWaalsContact C-N 3.35Å; P87-L109 WeakPolarHBondContact O-CD1 3.39Å; P87-N112 PolarHBondContact O-ND2 2.79Å
88	N	84.7	Confident	85.4	Confident	95 Å²	95	38.5 Å²	38.5	51%	0.508	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	25.7	177	-61	6.2	0	0	0	112.1	I63 N86	I63-N88 WeakPolarHBondContact CB-O 3.46Å; I63-N88 HydrophobicContact CD1-CB 3.75Å; I63-N88 WeakPolarHBondContact CD1-O 3.33Å; N86-N88 PolarHBondContact O-N 3.18Å; N86-N88 VanDerWaalsContact O-N 3.09Å; N86-N88 PolarHBondContact OD1-N 2.9Å
89	C	89.1	Confident	85.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.			trans	-69	135.7	-178.4	-150.3	0	0	0	0	112.3	C65 N86 P87 L109 N112	C65-C89 HydrophobicContact CB-CB 4.29Å; C65-C89 WeakPolarHBondContact CB-SG 3.29Å; C65-C89 PolarHBondContact N-SG 2.93Å; C65-C89 VanDerWaalsContact N-SG 3.37Å; C65-C89 WeakPolarHBondContact SG-CB 3.36Å; C65-C89 CovalentContact SG-SG 2.03Å; C65-C89 PolarHBondContact SG-SG 3.3Å; N86-C89 WeakPolarHBondContact O-CB 3.3Å; N86-C89 PolarHBondContact O-N 2.69Å; P87-C89 VanDerWaalsContact C-N 3.35Å; C89-L109 HydrophobicContact CB-CD1 3.66Å; C89-N112 CarbonylContact O-C 3.5Å; C89-N112 WeakPolarHBondContact O-CB 3.12Å
90	T	87.9	Confident	85.6	Confident	21 Å²	21	33.3 Å²	33.3	13%	0.129	18%	0.183	C	C	.	.			trans	-114.1	-26.7	178	64	0	0	0	0	112.9	I63 N112 E114 E115	I63-T90 PolarHBondContact N-OG1 2.63Å; I63-T90 VanDerWaalsContact N-OG1 3.1Å; I63-T90 PolarHBondContact O-N 2.88Å; I63-T90 PolarHBondContact O-OG1 3.32Å; T90-N112 WeakPolarHBondContact CA-O 3.37Å; T90-E114 WeakPolarHBondContact O-CA 3.13Å; T90-E114 WeakPolarHBondContact O-CB 3.23Å; T90-E114 PolarHBondContact O-N 3.25Å; T90-E115 PolarHBondContact O-N 2.9Å
91	H	87.4	Confident	85.9	Confident	14 Å²	14	30.1 Å²	30.1	7%	0.065	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.2	-174	-73.2	61.8	0	0	0	109.8	Y59 I63 I64 C65 E114 E115	Y59-H91 AromaticContact CD1-CD2 3.85Å; Y59-H91 AromaticContact CD1-NE2 3.96Å; Y59-H91 AromaticContact CE1-CD2 4Å; I63-H91 PolarHBondContact O-N 3.42Å; I63-H91 VanDerWaalsContact O-N 3.07Å; I64-H91 CarbonylContact C-O 3.22Å; I64-H91 VanDerWaalsContact CA-O 3.3Å; I64-H91 WeakPolarHBondContact CA-O 3.48Å; I64-H91 HydrophobicContact CB-CB 4.42Å; I64-H91 HydrophobicContact CG1-CB 3.91Å; I64-H91 HydrophobicContact CG2-CB 4.47Å; C65-H91 PolarHBondContact N-O 3.47Å; H91-E114 IonicContact CE1-OE1 2.77Å; H91-E115 WeakPolarHBondContact CA-O 3.34Å; H91-E115 IonicContact CD2-OE2 2.83Å; H91-E115 PolarHBondContact CD2-OE2 2.85Å; H91-E115 IonicContact NE2-OE2 3.55Å
92	I	87.4	Confident	85.9	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115	178.7	-64.6	-179.4	0	0	0	110.2	C65 F85 G94 L96 I113 E115 I116 S117	C65-I92 WeakPolarHBondContact O-CA 3.36Å; F85-I92 HydrophobicContact CE1-CD1 3.9Å; F85-I92 HydrophobicContact CE1-CG1 4.1Å; F85-I92 HydrophobicContact CE1-CG2 4.39Å; F85-I92 HydrophobicContact CZ-CD1 4.39Å; I92-G94 PolarHBondContact O-N 2.79Å; I92-L96 HydrophobicContact CD1-CB 3.99Å; I92-L96 HydrophobicContact CD1-CD1 3.88Å; I92-L96 HydrophobicContact CD1-CD2 4.16Å; I92-L96 HydrophobicContact CD1-CG 4.23Å; I92-I113 HydrophobicContact CD1-CD1 3.86Å; I92-I113 HydrophobicContact CD1-CG2 4.48Å; I92-E115 PolarHBondContact N-O 3.25Å; I92-I116 HydrophobicContact CB-CG1 4.47Å; I92-S117 PolarHBondContact O-N 2.85Å; I92-S117 PolarHBondContact O-OG 3.38Å
93	L	82.9	Confident	85.7	Confident	39 Å²	39	34.9 Å²	34.9	20%	0.204	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	105.4	164.3	-76.7	173.2	0	0	0	108.4	I50 Y53 I64 C65 K66 S67	I50-L93 HydrophobicContact CG2-CD1 4.17Å; Y53-L93 HydrophobicContact CE1-CD2 4.45Å; Y53-L93 HydrophobicContact CE2-CD1 4.22Å; I64-L93 HydrophobicContact CG2-CB 4.48Å; I64-L93 HydrophobicContact CG2-CD1 3.61Å; I64-L93 HydrophobicContact CG2-CG 3.75Å; C65-L93 PolarHBondContact O-N 3.33Å; K66-L93 CarbonylContact C-O 3.53Å; K66-L93 WeakPolarHBondContact CA-O 3.12Å; S67-L93 PolarHBondContact N-O 2.04Å
94	G	83.6	Confident	85.8	Confident	9 Å²	9	36.9 Å²	36.9	9%	0.093	21%	0.206	C	C	.	.	S	Bend	trans	111.5	-149.2	-171	0	0	0	0	0	111.6	I92 S117 G118	I92-G94 PolarHBondContact O-N 2.79Å; G94-S117 PolarHBondContact N-OG 3.14Å; G94-G118 WeakPolarHBondContact O-CA 3.43Å; G94-G118 PolarHBondContact O-N 2.03Å
95	N	90.5	Very high	86.4	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.027	19%	0.19	C	C	.	.			trans	-106.9	150.9	-170.1	-47.5	-56	0	0	0	112.7	S67 Y69 G118 Y119 E142	S67-N95 WeakPolarHBondContact CB-O 3.32Å; S67-N95 PolarHBondContact OG-O 2.83Å; Y69-N95 PolarHBondContact O-ND2 3.05Å; N95-G118 WeakPolarHBondContact OD1-CA 3.15Å; N95-Y119 WeakPolarHBondContact CA-O 3.16Å; N95-Y119 HydrophobicContact CB-CD1 4.4Å; N95-Y119 HydrophobicContact CB-CD2 3.9Å; N95-Y119 HydrophobicContact CB-CE1 4.19Å; N95-Y119 HydrophobicContact CB-CE2 3.67Å; N95-Y119 HydrophobicContact CB-CG 4.27Å; N95-Y119 PolarHBondContact ND2-OH 2.89Å; N95-Y119 WeakPolarHBondContact OD1-CD1 3.5Å; N95-Y119 WeakPolarHBondContact OD1-CE1 3.24Å; N95-Y119 PolarHBondContact OD1-N 3.45Å; N95-E142 PolarHBondContact ND2-OE2 2.65Å; N95-E142 PolarHBondContact OD1-OE2 3.19Å
96	L	93.8	Very high	86.7	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.4	169.5	179.4	59.7	0	0	0	109.9	I92 I98 L110 I113 I116 Y119 L120 V121	I92-L96 HydrophobicContact CD1-CB 3.99Å; I92-L96 HydrophobicContact CD1-CD1 3.88Å; I92-L96 HydrophobicContact CD1-CD2 4.16Å; I92-L96 HydrophobicContact CD1-CG 4.23Å; L96-I98 HydrophobicContact CD2-CD1 4.38Å; L96-I98 HydrophobicContact CG-CG1 4.24Å; L96-L110 HydrophobicContact CD2-CD2 4.12Å; L96-I113 HydrophobicContact CD1-CD1 4.46Å; L96-I113 HydrophobicContact CD2-CD1 3.59Å; L96-I116 HydrophobicContact CB-CD1 3.92Å; L96-I116 HydrophobicContact CB-CG1 4.42Å; L96-I116 HydrophobicContact CD2-CD1 3.81Å; L96-Y119 PolarHBondContact N-O 3.03Å; L96-L120 HydrophobicContact CB-CD1 4Å; L96-L120 HydrophobicContact CD2-CD1 3.83Å; L96-L120 HydrophobicContact CG-CD1 3.78Å; L96-L120 WeakPolarHBondContact O-CA 3Å; L96-V121 PolarHBondContact O-N 2.88Å
97	I	92.5	Very high	87.1	Confident	6 Å²	6	35.3 Å²	35.3	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.1	177.6	-59.4	177.3	0	0	0	107.6	T70 L81 V121	T70-I97 WeakPolarHBondContact O-CD1 3.34Å; L81-I97 HydrophobicContact CD1-CB 4.23Å; L81-I97 HydrophobicContact CD1-CG2 3.92Å; I97-V121 HydrophobicContact CG1-CB 4.47Å
98	I	93.4	Very high	87.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	98.4	176.9	-54.5	174.5	0	0	0	105.3	W78 L96 V101 L110 L120 V121 I122 Y123 V125 L130 L132	W78-I98 HydrophobicContact CE3-CG2 4.22Å; W78-I98 HydrophobicContact CZ3-CB 4.32Å; W78-I98 HydrophobicContact CZ3-CG1 3.93Å; W78-I98 HydrophobicContact CZ3-CG2 4.25Å; L96-I98 HydrophobicContact CD2-CD1 4.38Å; L96-I98 HydrophobicContact CG-CG1 4.24Å; I98-V101 HydrophobicContact CG2-CG2 3.56Å; I98-L110 HydrophobicContact CD1-CD1 3.73Å; I98-L110 HydrophobicContact CD1-CD2 3.56Å; I98-L110 HydrophobicContact CD1-CG 4.32Å; I98-L110 HydrophobicContact CG1-CD1 4.46Å; I98-L110 HydrophobicContact CG1-CD2 4.07Å; I98-L110 HydrophobicContact CG2-CD1 4.5Å; I98-L120 HydrophobicContact CD1-CD1 3.96Å; I98-L120 HydrophobicContact CG1-CD1 4.25Å; I98-V121 PolarHBondContact N-O 3.48Å; I98-I122 HydrophobicContact CB-CG1 4.48Å; I98-I122 HydrophobicContact CB-CG2 4.44Å; I98-I122 HydrophobicContact CD1-CD1 4.35Å; I98-I122 HydrophobicContact CD1-CG1 4.2Å; I98-I122 HydrophobicContact CG2-CG2 4.45Å; I98-I122 WeakPolarHBondContact O-CA 3.44Å; I98-Y123 PolarHBondContact O-N 3.47Å; I98-V125 HydrophobicContact CG2-CG2 4.22Å; I98-L130 HydrophobicContact CD1-CD2 4.3Å; I98-L130 HydrophobicContact CG2-CD2 4.18Å; I98-L132 HydrophobicContact CD1-CD2 4.05Å
99	S	91.7	Very high	87.6	Confident	4 Å²	4	31.1 Å²	31.1	3%	0.028	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.7	-177.3	-173.6	0	0	0	0	111.7	I74 P77 W78 V101 Y123	I74-S99 WeakPolarHBondContact O-CB 3.28Å; I74-S99 PolarHBondContact O-OG 3.08Å; P77-S99 CarbonylContact C-O 3.47Å; W78-S99 WeakPolarHBondContact CA-O 3.41Å; W78-S99 WeakPolarHBondContact CB-O 3.06Å; W78-S99 PolarHBondContact N-O 2.04Å; S99-V101 PolarHBondContact O-N 2.78Å; S99-Y123 VanDerWaalsContact CA-O 3.31Å; S99-Y123 WeakPolarHBondContact CA-O 3.04Å
100	G	86	Confident	87.6	Confident	26 Å²	26	31.1 Å²	31.1	27%	0.268	18%	0.176	S	C	.	.	S	Bend	trans	56.5	51.5	172	0	0	0	0	0	112.9	Y123	G100-Y123 PolarHBondContact N-O 2.91Å
101	V	88.8	Confident	87.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.			trans	-90.1	119.2	176.3	177.9	0	0	0	0	109.1	W78 I98 S99 D105 V107 V125 G126 R127	W78-V101 HydrophobicContact CB-CG2 3.77Å; W78-V101 HydrophobicContact CD2-CG2 4.04Å; W78-V101 HydrophobicContact CE3-CG2 4.41Å; W78-V101 HydrophobicContact CG-CG2 3.78Å; I98-V101 HydrophobicContact CG2-CG2 3.56Å; S99-V101 PolarHBondContact O-N 2.78Å; V101-D105 HydrophobicContact CG1-CB 4.16Å; V101-V107 HydrophobicContact CG1-CG1 3.75Å; V101-V125 HydrophobicContact CB-CB 4.47Å; V101-V125 HydrophobicContact CB-CG1 4.17Å; V101-V125 HydrophobicContact CB-CG2 4.09Å; V101-V125 HydrophobicContact CG1-CG1 4.48Å; V101-V125 HydrophobicContact CG2-CG2 4.14Å; V101-G126 PolarHBondContact O-N 3.35Å; V101-R127 HydrophobicContact CG1-CB 4.41Å
102	D	84	Confident	87.7	Confident	51 Å²	51	36 Å²	36	27%	0.273	20%	0.199	S	C	.	.			trans	-89.5	169.4	174.3	-81.4	-38.4	0	0	0	112.8	D104 D105 K160	D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.27Å; D102-D105 PolarHBondContact N-OD2 3.05Å; D102-D105 PolarHBondContact O-N 3.38Å; D102-K160 VanDerWaalsContact OD1-CD 3.3Å; D102-K160 WeakPolarHBondContact OD1-CD 3.02Å; D102-K160 WeakPolarHBondContact OD1-CE 3.33Å; D102-K160 IonicContact OD1-NZ 2.66Å; D102-K160 PolarHBondContact OD1-NZ 2.91Å; D102-K160 IonicContact OD2-NZ 2.82Å; D102-K160 PolarHBondContact OD2-NZ 2.89Å
103	E	80.2	Confident	88	Confident	91 Å²	91	35.9 Å²	35.9	43%	0.425	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.7	-173.8	-169.7	140.4	-107.9	0	0	112.7	R127 K128	E103-R127 PolarHBondContact O-NH1 2.72Å; E103-K128 WeakPolarHBondContact OE1-CG 3.5Å; E103-K128 IonicContact OE1-NZ 2.63Å; E103-K128 PolarHBondContact OE1-NZ 3.28Å; E103-K128 IonicContact OE2-NZ 2.67Å; E103-K128 PolarHBondContact OE2-NZ 3.15Å
104	D	82.3	Confident	88.3	Confident	161 Å²	161	35.1 Å²	35.1	86%	0.861	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.6	178.6	-58.6	-51.2	0	0	0	114.6	D102	D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.27Å
105	D	86	Confident	88.5	Confident	10 Å²	10	35.7 Å²	35.7	5%	0.053	19%	0.194	C	C	.	.			trans	-75.2	142.6	-170.5	-77.1	-8	0	0	0	113.6	K79 V101 D102 V107 R127	K79-D105 WeakPolarHBondContact CE-OD1 3.37Å; K79-D105 IonicContact NZ-OD1 2.67Å; K79-D105 PolarHBondContact NZ-OD1 2.65Å; K79-D105 IonicContact NZ-OD2 2.85Å; V101-D105 HydrophobicContact CG1-CB 4.16Å; D102-D105 PolarHBondContact N-OD2 3.05Å; D102-D105 PolarHBondContact O-N 3.38Å; D105-V107 PolarHBondContact O-N 3.43Å; D105-R127 PolarHBondContact O-NH1 2.74Å
106	D	87.5	Confident	88.6	Confident	109 Å²	109	35.5 Å²	35.5	58%	0.583	19%	0.193	S	C	*	.			trans	-74.9	114.2	170.2	-178.9	7.7	0	0	0	110	W78 T108	W78-D106 PolarHBondContact NE1-O 3.48Å; D106-T108 VanDerWaalsContact OD1-CB 3.32Å; D106-T108 WeakPolarHBondContact OD1-CB 3.47Å; D106-T108 VanDerWaalsContact OD1-CG2 3.26Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.45Å; D106-T108 PolarHBondContact OD1-N 3.33Å; D106-T108 PolarHBondContact OD1-OG1 3.4Å
107	V	88.8	Confident	88.2	Confident	18 Å²	18	36.2 Å²	36.2	11%	0.109	20%	0.198	C	C	.	.			trans	-113.4	9.3	178.1	-61.8	0	0	0	0	112.7	W78 V101 D105 L109 L110 L130	W78-V107 HydrophobicContact CZ2-CB 4.48Å; W78-V107 HydrophobicContact CZ2-CG1 4.42Å; V101-V107 HydrophobicContact CG1-CG1 3.75Å; D105-V107 PolarHBondContact O-N 3.43Å; V107-L109 PolarHBondContact O-N 2.96Å; V107-L110 HydrophobicContact CB-CD1 4.11Å; V107-L110 VanDerWaalsContact O-CB 3.3Å; V107-L110 WeakPolarHBondContact O-CB 3.32Å; V107-L110 PolarHBondContact O-N 2.96Å; V107-L130 HydrophobicContact CG1-CD1 4.34Å
108	T	86.4	Confident	88	Confident	81 Å²	81	35.9 Å²	35.9	50%	0.497	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.5	-170.2	51.2	0	0	0	0	114.7	D106 L110 E111	D106-T108 VanDerWaalsContact OD1-CB 3.32Å; D106-T108 WeakPolarHBondContact OD1-CB 3.47Å; D106-T108 VanDerWaalsContact OD1-CG2 3.26Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.45Å; D106-T108 PolarHBondContact OD1-N 3.33Å; D106-T108 PolarHBondContact OD1-OG1 3.4Å; T108-L110 PolarHBondContact O-N 3.09Å; T108-E111 PolarHBondContact O-N 3.15Å
109	L	88.5	Confident	88	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-53.1	-40.3	171	174.6	66.3	0	0	0	112.3	M82 F85 N86 P87 C89 V107 E111 N112 I113	M82-L109 HydrophobicContact CE-CB 3.62Å; M82-L109 HydrophobicContact CE-CD2 3.62Å; M82-L109 HydrophobicContact CE-CG 4.21Å; M82-L109 HydrophobicContact SD-CB 4.18Å; M82-L109 HydrophobicContact SD-CD2 3.41Å; M82-L109 WeakPolarHBondContact SD-CD2 3.01Å; M82-L109 HydrophobicContact SD-CG 4.38Å; F85-L109 HydrophobicContact CB-CD2 3.87Å; F85-L109 HydrophobicContact CG-CD2 4.29Å; N86-L109 VanDerWaalsContact O-CD1 3.25Å; N86-L109 WeakPolarHBondContact O-CD1 3.44Å; P87-L109 WeakPolarHBondContact O-CD1 3.39Å; C89-L109 HydrophobicContact CB-CD1 3.66Å; V107-L109 PolarHBondContact O-N 2.96Å; L109-E111 PolarHBondContact O-N 2.82Å; L109-N112 WeakPolarHBondContact O-CB 3.45Å; L109-N112 PolarHBondContact O-N 3.15Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 4.19Å; L109-I113 HydrophobicContact CG-CG1 4.37Å
110	L	90.2	Very high	88.2	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-29.5	-172.9	-67.8	-175.7	0	0	0	112.9	W78 L96 I98 V107 T108 N112 I113 L130 R131 L132	W78-L110 HydrophobicContact CH2-CD1 4.15Å; W78-L110 HydrophobicContact CH2-CD2 3.55Å; W78-L110 HydrophobicContact CH2-CG 3.76Å; W78-L110 HydrophobicContact CZ2-CD1 4.28Å; W78-L110 HydrophobicContact CZ2-CD2 4.29Å; W78-L110 HydrophobicContact CZ2-CG 3.99Å; W78-L110 HydrophobicContact CZ3-CD2 4.33Å; L96-L110 HydrophobicContact CD2-CD2 4.12Å; I98-L110 HydrophobicContact CD1-CD1 3.73Å; I98-L110 HydrophobicContact CD1-CD2 3.56Å; I98-L110 HydrophobicContact CD1-CG 4.32Å; I98-L110 HydrophobicContact CG1-CD1 4.46Å; I98-L110 HydrophobicContact CG1-CD2 4.07Å; I98-L110 HydrophobicContact CG2-CD1 4.5Å; V107-L110 HydrophobicContact CB-CD1 4.11Å; V107-L110 VanDerWaalsContact O-CB 3.3Å; V107-L110 WeakPolarHBondContact O-CB 3.32Å; V107-L110 PolarHBondContact O-N 2.96Å; T108-L110 PolarHBondContact O-N 3.09Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 2.03Å; L110-I113 HydrophobicContact CD2-CD1 4.09Å; L110-L130 HydrophobicContact CD1-CD1 3.67Å; L110-L130 HydrophobicContact CD1-CD2 4.46Å; L110-L130 HydrophobicContact CD1-CG 4.11Å; L110-R131 WeakPolarHBondContact CB-O 3.28Å; L110-L132 HydrophobicContact CB-CG 4.25Å; L110-L132 HydrophobicContact CD2-CD2 4.35Å; L110-L132 WeakPolarHBondContact O-CA 3.33Å
111	E	88.1	Confident	88.6	Confident	77 Å²	77	34.9 Å²	34.9	36%	0.36	19%	0.185	S	C	.	.	H	α-helix	trans	-72	-22.8	175.5	-59.8	-168	156.4	0	0	112.1	T108 L109 R131 H134	T108-E111 PolarHBondContact O-N 3.15Å; L109-E111 PolarHBondContact O-N 2.82Å; E111-R131 HydrophobicContact CG-CB 4.15Å; E111-R131 WeakPolarHBondContact OE1-CB 3.28Å; E111-H134 WeakPolarHBondContact O-CB 3.44Å; E111-H134 PolarHBondContact O-ND1 2.88Å
112	N	90	Very high	88.9	Confident	62 Å²	62	34.9 Å²	34.9	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-83.8	-17.5	179.8	-69.6	-35.1	0	0	0	114.5	P87 C89 T90 L109 L110	P87-N112 PolarHBondContact O-ND2 2.79Å; C89-N112 CarbonylContact O-C 3.5Å; C89-N112 WeakPolarHBondContact O-CB 3.12Å; T90-N112 WeakPolarHBondContact CA-O 3.37Å; L109-N112 WeakPolarHBondContact O-CB 3.45Å; L109-N112 PolarHBondContact O-N 3.15Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 2.03Å
113	I	92.3	Very high	89.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.			trans	-77.7	127.7	-170.8	-56.7	173.4	0	0	0	110.7	I92 L96 L109 L110 I116 H134 L135	I92-I113 HydrophobicContact CD1-CD1 3.86Å; I92-I113 HydrophobicContact CD1-CG2 4.48Å; L96-I113 HydrophobicContact CD1-CD1 4.46Å; L96-I113 HydrophobicContact CD2-CD1 3.59Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 4.19Å; L109-I113 HydrophobicContact CG-CG1 4.37Å; L110-I113 HydrophobicContact CD2-CD1 4.09Å; I113-I116 HydrophobicContact CG2-CG1 4.12Å; I113-H134 CarbonylContact O-C 3.56Å; I113-L135 HydrophobicContact CG2-CD1 3.99Å; I113-L135 WeakPolarHBondContact O-CA 3.41Å; I113-L135 PolarHBondContact O-N 3.22Å
114	E	89.3	Confident	89.6	Confident	22 Å²	22	33.4 Å²	33.4	10%	0.103	18%	0.177	C	C	.	.			trans	-107.1	-41.9	179.2	-66.9	178.4	-99.1	0	0	113.3	K62 T90 H91 H134 K136 L137	K62-E114 WeakPolarHBondContact CE-OE1 3.15Å; K62-E114 IonicContact NZ-OE1 3.57Å; K62-E114 PolarHBondContact NZ-OE1 3.3Å; K62-E114 IonicContact NZ-OE2 3.85Å; K62-E114 PolarHBondContact NZ-OE2 3.34Å; T90-E114 WeakPolarHBondContact O-CA 3.13Å; T90-E114 WeakPolarHBondContact O-CB 3.23Å; T90-E114 PolarHBondContact O-N 3.25Å; H91-E114 IonicContact CE1-OE1 2.77Å; E114-H134 WeakPolarHBondContact CA-O 3.43Å; E114-H134 HydrophobicContact CG-CB 4.38Å; E114-K136 HydrophobicContact CB-CD 4.39Å; E114-K136 PolarHBondContact O-N 2.69Å; E114-K136 IonicContact OE2-NZ 3.71Å; E114-K136 PolarHBondContact OE2-NZ 3.19Å; E114-L137 PolarHBondContact O-N 3.34Å
115	E	88.5	Confident	89.9	Confident	22 Å²	22	25.7 Å²	25.7	10%	0.103	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.5	179	-63.1	-160.8	152.1	0	0	113.5	T90 H91 I92 L137 K139	T90-E115 PolarHBondContact O-N 2.9Å; H91-E115 WeakPolarHBondContact CA-O 3.34Å; H91-E115 IonicContact CD2-OE2 2.83Å; H91-E115 PolarHBondContact CD2-OE2 2.85Å; H91-E115 IonicContact NE2-OE2 3.55Å; I92-E115 PolarHBondContact N-O 3.25Å; E115-L137 WeakPolarHBondContact CA-O 3.17Å; E115-L137 HydrophobicContact CG-CB 4.1Å; E115-L137 HydrophobicContact CG-CD2 4.41Å; E115-L137 VanDerWaalsContact OE1-CD2 3.3Å; E115-L137 WeakPolarHBondContact OE1-CD2 3.31Å; E115-K139 IonicContact OE1-NZ 3.7Å; E115-K139 PolarHBondContact OE1-NZ 3.35Å; E115-K139 IonicContact OE2-NZ 2.75Å; E115-K139 PolarHBondContact OE2-NZ 3.09Å
116	I	91.9	Very high	89.7	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	169.6	-59.3	164.1	0	0	0	108.6	I92 L96 I113 L120 L135 L137 I138 K139	I92-I116 HydrophobicContact CB-CG1 4.47Å; L96-I116 HydrophobicContact CB-CD1 3.92Å; L96-I116 HydrophobicContact CB-CG1 4.42Å; L96-I116 HydrophobicContact CD2-CD1 3.81Å; I113-I116 HydrophobicContact CG2-CG1 4.12Å; I116-L120 HydrophobicContact CD1-CB 4.08Å; I116-L120 HydrophobicContact CD1-CD1 4.48Å; I116-L120 HydrophobicContact CD1-CD2 4.15Å; I116-L120 HydrophobicContact CD1-CG 4.48Å; I116-L135 HydrophobicContact CD1-CD1 3.85Å; I116-L135 HydrophobicContact CD1-CD2 4.36Å; I116-L135 HydrophobicContact CG1-CD1 4.04Å; I116-L137 PolarHBondContact N-O 3.4Å; I116-I138 HydrophobicContact CB-CG1 4.36Å; I116-I138 HydrophobicContact CD1-CG1 4.31Å; I116-I138 WeakPolarHBondContact O-CA 3.48Å; I116-K139 PolarHBondContact O-N 2.67Å
117	S	86.6	Confident	89.6	Confident	19 Å²	19	22.9 Å²	22.9	13%	0.133	12%	0.117	C	C	.	.	S	Bend	trans	-79.5	-36.1	-177.4	79.1	0	0	0	0	113.5	I92 G94 G140 H141	I92-S117 PolarHBondContact O-N 2.85Å; I92-S117 PolarHBondContact O-OG 3.38Å; G94-S117 PolarHBondContact N-OG 3.14Å; S117-G140 PolarHBondContact O-N 3.21Å; S117-H141 WeakPolarHBondContact O-CB 3.17Å; S117-H141 PolarHBondContact O-N 3.45Å
118	G	88.1	Confident	89.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-91.9	-127.7	175.1	0	0	0	0	0	112	G94 N95 I138 G140 E142	G94-G118 WeakPolarHBondContact O-CA 3.43Å; G94-G118 PolarHBondContact O-N 2.03Å; N95-G118 WeakPolarHBondContact OD1-CA 3.15Å; G118-I138 VanDerWaalsContact O-CG2 3.31Å; G118-I138 WeakPolarHBondContact O-CG2 3.36Å; G118-G140 WeakPolarHBondContact O-CA 3.46Å; G118-G140 PolarHBondContact O-N 3.23Å; G118-G140 VanDerWaalsContact O-N 3.11Å; G118-E142 CarbonylContact C-O 3.48Å
119	Y	93.2	Very high	89.3	Confident	7 Å²	7	26.7 Å²	26.7	3%	0.027	13%	0.126	C	C	.	.			trans	-113.4	163.8	-179.3	55.7	-99.5	0	0	0	114.4	T70 W71 N95 L96 V121 E142 I144 A152	T70-Y119 WeakPolarHBondContact CA-OH 2.98Å; W71-Y119 HydrophobicContact CB-CE2 4.45Å; W71-Y119 PolarHBondContact N-OH 2.93Å; N95-Y119 WeakPolarHBondContact CA-O 3.16Å; N95-Y119 HydrophobicContact CB-CD1 4.4Å; N95-Y119 HydrophobicContact CB-CD2 3.9Å; N95-Y119 HydrophobicContact CB-CE1 4.19Å; N95-Y119 HydrophobicContact CB-CE2 3.67Å; N95-Y119 HydrophobicContact CB-CG 4.27Å; N95-Y119 PolarHBondContact ND2-OH 2.89Å; N95-Y119 WeakPolarHBondContact OD1-CD1 3.5Å; N95-Y119 WeakPolarHBondContact OD1-CE1 3.24Å; N95-Y119 PolarHBondContact OD1-N 3.45Å; L96-Y119 PolarHBondContact N-O 3.03Å; Y119-V121 HydrophobicContact CD2-CG2 3.91Å; Y119-V121 HydrophobicContact CE2-CG2 4.13Å; Y119-E142 HydrophobicContact CD1-CB 4.04Å; Y119-E142 HydrophobicContact CE1-CB 4.11Å; Y119-I144 HydrophobicContact CD1-CG2 3.85Å; Y119-I144 HydrophobicContact CD2-CG2 3.68Å; Y119-I144 HydrophobicContact CE1-CG2 3.6Å; Y119-I144 HydrophobicContact CE2-CG2 3.41Å; Y119-I144 VanDerWaalsContact CE2-CG2 3.41Å; Y119-I144 HydrophobicContact CG-CG2 3.89Å; Y119-A152 CarbonylContact C-O 3.51Å; Y119-A152 VanDerWaalsContact CA-O 3.29Å; Y119-A152 WeakPolarHBondContact CA-O 3.33Å; Y119-A152 WeakPolarHBondContact CB-O 3.41Å
120	L	95.7	Very high	89.4	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.9	172	175.8	51.4	0	0	0	110.8	L96 I98 I116 I122 L132 L135 I138 A152 L153 L154	L96-L120 HydrophobicContact CB-CD1 4Å; L96-L120 HydrophobicContact CD2-CD1 3.83Å; L96-L120 HydrophobicContact CG-CD1 3.78Å; L96-L120 WeakPolarHBondContact O-CA 3Å; I98-L120 HydrophobicContact CD1-CD1 3.96Å; I98-L120 HydrophobicContact CG1-CD1 4.25Å; I116-L120 HydrophobicContact CD1-CB 4.08Å; I116-L120 HydrophobicContact CD1-CD1 4.48Å; I116-L120 HydrophobicContact CD1-CD2 4.15Å; I116-L120 HydrophobicContact CD1-CG 4.48Å; L120-I122 HydrophobicContact CD1-CG1 4.16Å; L120-I122 HydrophobicContact CD2-CD1 4.47Å; L120-I122 HydrophobicContact CG-CG1 4.23Å; L120-L132 HydrophobicContact CD2-CD2 4.01Å; L120-L135 HydrophobicContact CD2-CD2 3.92Å; L120-I138 HydrophobicContact CB-CD1 3.87Å; L120-I138 HydrophobicContact CD2-CD1 4.14Å; L120-A152 PolarHBondContact N-O 3.38Å; L120-L153 HydrophobicContact CB-CD1 4.08Å; L120-L153 HydrophobicContact CD2-CD1 3.86Å; L120-L153 HydrophobicContact CG-CD1 3.88Å; L120-L153 WeakPolarHBondContact O-CA 3.32Å; L120-L154 PolarHBondContact O-N 3.43Å
121	V	94.8	Very high	89.3	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.3	169.7	-177.2	0	0	0	0	110.6	I74 L96 I97 I98 Y119 I144 L154	I74-V121 HydrophobicContact CD1-CG1 3.8Å; I74-V121 HydrophobicContact CG1-CG1 4.48Å; L96-V121 PolarHBondContact O-N 2.88Å; I97-V121 HydrophobicContact CG1-CB 4.47Å; I98-V121 PolarHBondContact N-O 3.48Å; Y119-V121 HydrophobicContact CD2-CG2 3.91Å; Y119-V121 HydrophobicContact CE2-CG2 4.13Å; V121-I144 HydrophobicContact CG2-CD1 3.92Å; V121-L154 CarbonylContact C-O 3.22Å; V121-L154 WeakPolarHBondContact CA-O 3.47Å; V121-L154 HydrophobicContact CG1-CD2 4.38Å; V121-L154 HydrophobicContact CG2-CB 4.48Å
122	I	94.4	Very high	89.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.8	174.1	-46.7	-173	0	0	0	109.1	I98 L120 V125 L130 L132 L154 V155 V156 N158 L194	I98-I122 HydrophobicContact CB-CG1 4.48Å; I98-I122 HydrophobicContact CB-CG2 4.44Å; I98-I122 HydrophobicContact CD1-CD1 4.35Å; I98-I122 HydrophobicContact CD1-CG1 4.2Å; I98-I122 HydrophobicContact CG2-CG2 4.45Å; I98-I122 WeakPolarHBondContact O-CA 3.44Å; L120-I122 HydrophobicContact CD1-CG1 4.16Å; L120-I122 HydrophobicContact CD2-CD1 4.47Å; L120-I122 HydrophobicContact CG-CG1 4.23Å; I122-V125 HydrophobicContact CG2-CG2 3.76Å; I122-L130 HydrophobicContact CD1-CD2 4.18Å; I122-L130 HydrophobicContact CG2-CD2 3.83Å; I122-L132 HydrophobicContact CD1-CD1 4.5Å; I122-L154 PolarHBondContact N-O 2.97Å; I122-V155 HydrophobicContact CB-CG1 4.34Å; I122-V155 HydrophobicContact CB-CG2 4.26Å; I122-V155 HydrophobicContact CD1-CG2 4.12Å; I122-V155 HydrophobicContact CG1-CG2 4.27Å; I122-V155 WeakPolarHBondContact O-CA 3.11Å; I122-V156 PolarHBondContact O-N 3.04Å; I122-N158 PolarHBondContact O-ND2 2.79Å; I122-N158 VanDerWaalsContact O-ND2 3.1Å; I122-L194 HydrophobicContact CD1-CD1 3.79Å; I122-L194 HydrophobicContact CD1-CD2 4.15Å
123	Y	92.6	Very high	89.3	Confident	94 Å²	94	26 Å²	26	37%	0.369	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.9	-172	175.2	-104.6	0	0	0	113.2	I74 I98 S99 G100 V125 V156 N158	I74-Y123 HydrophobicContact CD1-CD1 3.95Å; I74-Y123 HydrophobicContact CD1-CD2 4.32Å; I74-Y123 HydrophobicContact CD1-CG 3.77Å; I74-Y123 HydrophobicContact CG1-CD1 3.69Å; I74-Y123 HydrophobicContact CG1-CE1 4.39Å; I74-Y123 HydrophobicContact CG1-CG 3.98Å; I98-Y123 PolarHBondContact O-N 3.47Å; S99-Y123 VanDerWaalsContact CA-O 3.31Å; S99-Y123 WeakPolarHBondContact CA-O 3.04Å; G100-Y123 PolarHBondContact N-O 2.91Å; Y123-V125 PolarHBondContact O-N 2.78Å; Y123-V125 VanDerWaalsContact O-N 3.08Å; Y123-V156 WeakPolarHBondContact CA-O 3.46Å; Y123-V156 HydrophobicContact CD2-CG1 4.05Å; Y123-V156 VanDerWaalsContact CD2-O 3.31Å; Y123-V156 WeakPolarHBondContact CD2-O 3.48Å; Y123-N158 WeakPolarHBondContact CA-OD1 3.35Å; Y123-N158 PolarHBondContact N-OD1 2.84Å
124	G	87.4	Confident	89.1	Confident	16 Å²	16	30.6 Å²	30.6	17%	0.165	14%	0.14	C	C	.	.	S	Bend	trans	59.1	24.5	171.9	0	0	0	0	0	115	G126 S157 N158	G124-G126 PolarHBondContact O-N 3.49Å; G124-S157 WeakPolarHBondContact CA-O 2.97Å; G124-S157 PolarHBondContact N-O 3.27Å; G124-N158 PolarHBondContact N-OD1 2.74Å
125	V	87.8	Confident	89.2	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.			trans	-74.7	112.3	177.3	177.2	0	0	0	0	109.6	I98 V101 I122 Y123 R127 N158 L191	I98-V125 HydrophobicContact CG2-CG2 4.22Å; V101-V125 HydrophobicContact CB-CB 4.47Å; V101-V125 HydrophobicContact CB-CG1 4.17Å; V101-V125 HydrophobicContact CB-CG2 4.09Å; V101-V125 HydrophobicContact CG1-CG1 4.48Å; V101-V125 HydrophobicContact CG2-CG2 4.14Å; I122-V125 HydrophobicContact CG2-CG2 3.76Å; Y123-V125 PolarHBondContact O-N 2.78Å; Y123-V125 VanDerWaalsContact O-N 3.08Å; V125-R127 HydrophobicContact CG1-CB 3.93Å; V125-N158 HydrophobicContact CB-CB 4.23Å; V125-N158 WeakPolarHBondContact CB-OD1 3.06Å; V125-N158 WeakPolarHBondContact CG2-OD1 3.05Å; V125-N158 PolarHBondContact N-OD1 2.65Å; V125-N158 CarbonylContact O-C 3.18Å; V125-N158 VanDerWaalsContact O-C 3.22Å; V125-L191 HydrophobicContact CG1-CD1 4.07Å
126	G	81.9	Confident	89.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.01	14%	0.143	C	C	.	.			trans	-84.7	-13.1	175.5	0	0	0	0	0	114.1	V101 G124 S189 H190	V101-G126 PolarHBondContact O-N 3.35Å; G124-G126 PolarHBondContact O-N 3.49Å; G126-S189 VanDerWaalsContact O-CB 3.31Å; G126-S189 WeakPolarHBondContact O-CB 3.24Å; G126-S189 PolarHBondContact O-OG 3.24Å; G126-H190 PolarHBondContact O-N 3.08Å
127	R	85.4	Confident	89	Confident	59 Å²	59	31.4 Å²	31.4	22%	0.223	14%	0.144	C	C	.	.	S	Bend	trans	-72.8	139.8	-177.9	-171.6	-172.9	-168.6	112.3	-4.3	112.4	V101 E103 D105 V125 E129 L191	V101-R127 HydrophobicContact CG1-CB 4.41Å; E103-R127 PolarHBondContact O-NH1 2.72Å; D105-R127 PolarHBondContact O-NH1 2.74Å; V125-R127 HydrophobicContact CG1-CB 3.93Å; R127-E129 WeakPolarHBondContact CD-O 3.09Å; R127-E129 PolarHBondContact NE-O 3.42Å; R127-E129 PolarHBondContact O-N 2.88Å; R127-L191 WeakPolarHBondContact O-CA 3.31Å; R127-L191 WeakPolarHBondContact O-CD1 3.22Å
128	K	82.7	Confident	89.2	Confident	93 Å²	93	30.5 Å²	30.5	40%	0.404	14%	0.137	S	C	.	.	S	Bend	trans	-62.1	-39.1	-178.2	-64.1	177.9	-168.6	76.8	0	114.8	E103 Q192 S193	E103-K128 WeakPolarHBondContact OE1-CG 3.5Å; E103-K128 IonicContact OE1-NZ 2.63Å; E103-K128 PolarHBondContact OE1-NZ 3.28Å; E103-K128 IonicContact OE2-NZ 2.67Å; E103-K128 PolarHBondContact OE2-NZ 3.15Å; K128-Q192 WeakPolarHBondContact O-CA 3.17Å; K128-Q192 WeakPolarHBondContact O-CB 3.38Å; K128-Q192 PolarHBondContact O-N 3.02Å; K128-S193 PolarHBondContact O-N 3.02Å
129	E	85.5	Confident	89.2	Confident	85 Å²	85	30.7 Å²	30.7	40%	0.397	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.5	-177.5	-60	-173.3	175	0	0	111	R127 R131 S193	R127-E129 WeakPolarHBondContact CD-O 3.09Å; R127-E129 PolarHBondContact NE-O 3.42Å; R127-E129 PolarHBondContact O-N 2.88Å; E129-R131 IonicContact OE2-CZ 2.73Å; E129-R131 IonicContact OE2-NH2 2.79Å; E129-R131 PolarHBondContact OE2-NH2 3.48Å; E129-S193 WeakPolarHBondContact CA-O 3.27Å
130	L	90.9	Very high	88.8	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	124.5	174.1	-166.2	75.4	0	0	0	109.9	I98 V107 L110 I122 L132 L191 S193 L194 E195	I98-L130 HydrophobicContact CD1-CD2 4.3Å; I98-L130 HydrophobicContact CG2-CD2 4.18Å; V107-L130 HydrophobicContact CG1-CD1 4.34Å; L110-L130 HydrophobicContact CD1-CD1 3.67Å; L110-L130 HydrophobicContact CD1-CD2 4.46Å; L110-L130 HydrophobicContact CD1-CG 4.11Å; I122-L130 HydrophobicContact CD1-CD2 4.18Å; I122-L130 HydrophobicContact CG2-CD2 3.83Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.32Å; L130-L191 HydrophobicContact CB-CD1 3.81Å; L130-S193 PolarHBondContact N-O 3.08Å; L130-L194 HydrophobicContact CB-CD1 4.18Å; L130-L194 HydrophobicContact CD2-CD1 4Å; L130-L194 HydrophobicContact CG-CD1 4.44Å; L130-L194 WeakPolarHBondContact O-CA 3.35Å; L130-E195 PolarHBondContact O-N 2.89Å
131	R	89.3	Confident	88	Confident	99 Å²	99	33.8 Å²	33.8	37%	0.374	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129	-176	-63.3	-168.9	167.9	123.6	17.6	111.3	L110 E111 E129 E195	L110-R131 WeakPolarHBondContact CB-O 3.28Å; E111-R131 HydrophobicContact CG-CB 4.15Å; E111-R131 WeakPolarHBondContact OE1-CB 3.28Å; E129-R131 IonicContact OE2-CZ 2.73Å; E129-R131 IonicContact OE2-NH2 2.79Å; E129-R131 PolarHBondContact OE2-NH2 3.48Å; R131-E195 HydrophobicContact CG-CB 4.21Å; R131-E195 IonicContact CZ-OE2 2.63Å; R131-E195 IonicContact NE-OE2 3.84Å; R131-E195 PolarHBondContact NE-OE2 2.96Å; R131-E195 IonicContact NH2-OE2 2.55Å; R131-E195 PolarHBondContact NH2-OE2 3.45Å
132	L	92.9	Very high	87.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	17%	0.173	C	C	.	.			trans	-126.6	54.8	167.8	-55	89.6	0	0	0	107.6	I98 L110 L120 I122 L130 H134 L135 L194 E195 M196	I98-L132 HydrophobicContact CD1-CD2 4.05Å; L110-L132 HydrophobicContact CB-CG 4.25Å; L110-L132 HydrophobicContact CD2-CD2 4.35Å; L110-L132 WeakPolarHBondContact O-CA 3.33Å; L120-L132 HydrophobicContact CD2-CD2 4.01Å; I122-L132 HydrophobicContact CD1-CD1 4.5Å; L130-L132 HydrophobicContact CD2-CD1 4.25Å; L130-L132 HydrophobicContact CG-CD1 4.32Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 2.88Å; L132-L135 HydrophobicContact CB-CB 4.01Å; L132-L135 HydrophobicContact CB-CD2 4.37Å; L132-L135 HydrophobicContact CD2-CD2 4.04Å; L132-L135 WeakPolarHBondContact O-CB 3.44Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-L135 VanDerWaalsContact O-N 3.07Å; L132-L194 HydrophobicContact CD1-CD1 3.77Å; L132-E195 CarbonylContact C-O 3.53Å; L132-E195 PolarHBondContact N-O 3.41Å; L132-M196 HydrophobicContact CB-CG 4.1Å; L132-M196 HydrophobicContact CD1-CG 4.08Å; L132-M196 HydrophobicContact CD1-SD 4.17Å
133	S	83.3	Confident	86.7	Confident	25 Å²	25	42.5 Å²	42.5	18%	0.175	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35	-163.8	47.7	0	0	0	0	114.3	T197 S198	S133-T197 PolarHBondContact O-OG1 3.24Å; S133-S198 WeakPolarHBondContact O-CB 3.46Å; S133-S198 PolarHBondContact O-N 2.98Å; S133-S198 PolarHBondContact O-OG 3.46Å
134	H	89.8	Confident	86.1	Confident	97 Å²	97	38.4 Å²	38.4	45%	0.449	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-1.1	179	-61.2	120.1	0	0	0	115.1	E111 I113 E114 L132 K136	E111-H134 WeakPolarHBondContact O-CB 3.44Å; E111-H134 PolarHBondContact O-ND1 2.88Å; I113-H134 CarbonylContact O-C 3.56Å; E114-H134 WeakPolarHBondContact CA-O 3.43Å; E114-H134 HydrophobicContact CG-CB 4.38Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 2.88Å; H134-K136 WeakPolarHBondContact O-CG 2.96Å; H134-K136 PolarHBondContact O-N 2.94Å
135	L	91.4	Very high	85.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.176	C	C	.	.			trans	-66.7	118.5	-178.8	-177.8	68.9	0	0	0	109.6	I113 I116 L120 L132 M196 S198 F199	I113-L135 HydrophobicContact CG2-CD1 3.99Å; I113-L135 WeakPolarHBondContact O-CA 3.41Å; I113-L135 PolarHBondContact O-N 3.22Å; I116-L135 HydrophobicContact CD1-CD1 3.85Å; I116-L135 HydrophobicContact CD1-CD2 4.36Å; I116-L135 HydrophobicContact CG1-CD1 4.04Å; L120-L135 HydrophobicContact CD2-CD2 3.92Å; L132-L135 HydrophobicContact CB-CB 4.01Å; L132-L135 HydrophobicContact CB-CD2 4.37Å; L132-L135 HydrophobicContact CD2-CD2 4.04Å; L132-L135 WeakPolarHBondContact O-CB 3.44Å; L132-L135 PolarHBondContact O-N 2.9Å; L132-L135 VanDerWaalsContact O-N 3.07Å; L135-M196 HydrophobicContact CD2-SD 4.15Å; L135-S198 CarbonylContact O-C 3.54Å; L135-F199 HydrophobicContact CD2-CD2 4.19Å; L135-F199 HydrophobicContact CD2-CE2 4.33Å; L135-F199 HydrophobicContact CG-CD2 4Å; L135-F199 HydrophobicContact CG-CE2 4.32Å; L135-F199 WeakPolarHBondContact O-CA 3.37Å; L135-F199 WeakPolarHBondContact O-CB 3.07Å; L135-F199 PolarHBondContact O-N 3.19Å
136	K	87.1	Confident	84.7	Confident	59 Å²	59	41 Å²	41	26%	0.257	18%	0.182	S	C	.	.			trans	-104.2	-37.2	-176.7	-68.9	154	-169.1	178.4	0	112.6	E114 H134 I200 S201	E114-K136 HydrophobicContact CB-CD 4.39Å; E114-K136 PolarHBondContact O-N 2.69Å; E114-K136 IonicContact OE2-NZ 3.71Å; E114-K136 PolarHBondContact OE2-NZ 3.19Å; H134-K136 WeakPolarHBondContact O-CG 2.96Å; H134-K136 PolarHBondContact O-N 2.94Å; K136-I200 HydrophobicContact CB-CD1 4.44Å; K136-I200 HydrophobicContact CB-CG1 4.38Å; K136-I200 HydrophobicContact CG-CD1 4.45Å; K136-I200 PolarHBondContact O-N 3.17Å; K136-S201 PolarHBondContact O-N 3.42Å
137	L	87.8	Confident	84	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.8	-162.4	-161.1	76.9	0	0	0	113.2	E114 E115 I116 K139 S201 V203 A596 A608	E114-L137 PolarHBondContact O-N 3.34Å; E115-L137 WeakPolarHBondContact CA-O 3.17Å; E115-L137 HydrophobicContact CG-CB 4.1Å; E115-L137 HydrophobicContact CG-CD2 4.41Å; E115-L137 VanDerWaalsContact OE1-CD2 3.3Å; E115-L137 WeakPolarHBondContact OE1-CD2 3.31Å; I116-L137 PolarHBondContact N-O 3.4Å; L137-K139 HydrophobicContact CD2-CD 3.93Å; L137-K139 VanDerWaalsContact CD2-CE 3.45Å; L137-K139 HydrophobicContact CD2-CG 3.63Å; L137-K139 HydrophobicContact CG-CG 4.13Å; L137-S201 WeakPolarHBondContact CA-O 3.43Å; L137-V203 HydrophobicContact CD1-CG2 3.73Å; L137-V203 HydrophobicContact CD2-CG2 4.27Å; L137-V203 HydrophobicContact CG-CG2 4.07Å; L137-A596 HydrophobicContact CD1-CB 3.69Å; L137-A608 HydrophobicContact CD2-CB 3.66Å
138	I	91.9	Very high	82.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.4	162.1	-64.7	164.5	0	0	0	107.4	I116 G118 L120 A152 L153 F199 S201 V202 V203	I116-I138 HydrophobicContact CB-CG1 4.36Å; I116-I138 HydrophobicContact CD1-CG1 4.31Å; I116-I138 WeakPolarHBondContact O-CA 3.48Å; G118-I138 VanDerWaalsContact O-CG2 3.31Å; G118-I138 WeakPolarHBondContact O-CG2 3.36Å; L120-I138 HydrophobicContact CB-CD1 3.87Å; L120-I138 HydrophobicContact CD2-CD1 4.14Å; I138-A152 HydrophobicContact CG2-CB 3.91Å; I138-L153 HydrophobicContact CD1-CB 4.11Å; I138-L153 HydrophobicContact CD1-CD1 4.31Å; I138-F199 HydrophobicContact CB-CZ 4.49Å; I138-F199 HydrophobicContact CD1-CE2 3.97Å; I138-F199 HydrophobicContact CD1-CZ 3.94Å; I138-F199 HydrophobicContact CG1-CE2 3.94Å; I138-F199 HydrophobicContact CG1-CZ 4.21Å; I138-S201 PolarHBondContact N-O 2.55Å; I138-S201 VanDerWaalsContact N-O 3.11Å; I138-V202 HydrophobicContact CB-CG2 4.44Å; I138-V202 CarbonylContact O-C 3.51Å; I138-V202 VanDerWaalsContact O-CA 3.28Å; I138-V202 WeakPolarHBondContact O-CA 3.46Å; I138-V203 PolarHBondContact O-N 3.37Å
139	K	86.7	Confident	81.9	Confident	3 Å²	3	39 Å²	39	1%	0.013	18%	0.179	C	C	.	.			trans	-89.7	-24.2	-175.1	-74.8	159.1	157.3	163.1	0	113.9	Y59 E115 I116 L137 H141 V203 Q204 M647	Y59-K139 PolarHBondContact OH-NZ 2.8Å; E115-K139 IonicContact OE1-NZ 3.7Å; E115-K139 PolarHBondContact OE1-NZ 3.35Å; E115-K139 IonicContact OE2-NZ 2.75Å; E115-K139 PolarHBondContact OE2-NZ 3.09Å; I116-K139 PolarHBondContact O-N 2.67Å; L137-K139 HydrophobicContact CD2-CD 3.93Å; L137-K139 VanDerWaalsContact CD2-CE 3.45Å; L137-K139 HydrophobicContact CD2-CG 3.63Å; L137-K139 HydrophobicContact CG-CG 4.13Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.31Å; K139-V203 HydrophobicContact CG-CG2 4.01Å; K139-Q204 WeakPolarHBondContact O-CB 3.38Å; K139-Q204 PolarHBondContact O-N 2.02Å; K139-M647 HydrophobicContact CD-CE 3.82Å; K139-M647 HydrophobicContact CD-SD 3.48Å; K139-M647 WeakPolarHBondContact CD-SD 3.23Å; K139-M647 PolarHBondContact NZ-SD 3.27Å
140	G	85.5	Confident	81.6	Confident	0 Å²	0	38 Å²	38	0%	0	17%	0.173	C	C	.	.			trans	67.9	24	172.6	0	0	0	0	0	115.1	S117 G118 E142 H205	S117-G140 PolarHBondContact O-N 3.21Å; G118-G140 WeakPolarHBondContact O-CA 3.46Å; G118-G140 PolarHBondContact O-N 3.23Å; G118-G140 VanDerWaalsContact O-N 3.11Å; G140-E142 CarbonylContact C-O 3.36Å; G140-E142 VanDerWaalsContact C-O 3.26Å; G140-E142 PolarHBondContact O-N 2.03Å; G140-H205 PolarHBondContact O-CE1 3.49Å; G140-H205 PolarHBondContact O-ND1 3.49Å
141	H	78.7	Confident	81.3	Confident	73 Å²	73	37.9 Å²	37.9	34%	0.338	17%	0.172	S	C	.	.	S	Bend	trans	-61.4	-33.5	176.7	-74.7	-157	0	0	0	112.1	S117 K139 W143	S117-H141 WeakPolarHBondContact O-CB 3.17Å; S117-H141 PolarHBondContact O-N 3.45Å; K139-H141 VanDerWaalsContact C-N 3.31Å; K139-H141 PolarHBondContact O-N 3.31Å; H141-W143 WeakPolarHBondContact O-CZ3 3.43Å
142	E	77.5	Confident	81.3	Confident	96 Å²	96	33.2 Å²	33.2	45%	0.449	15%	0.154	S	C	.	.	S	Bend	trans	-105.1	148	159.6	-68.9	-179.8	-151.2	0	0	107.9	N95 G118 Y119 G140	N95-E142 PolarHBondContact ND2-OE2 2.65Å; N95-E142 PolarHBondContact OD1-OE2 3.19Å; G118-E142 CarbonylContact C-O 3.48Å; Y119-E142 HydrophobicContact CD1-CB 4.04Å; Y119-E142 HydrophobicContact CE1-CB 4.11Å; G140-E142 CarbonylContact C-O 3.36Å; G140-E142 VanDerWaalsContact C-O 3.26Å; G140-E142 PolarHBondContact O-N 2.03Å
143	W	85	Confident	81.4	Confident	88 Å²	88	33.2 Å²	33.2	33%	0.333	15%	0.154	S	C	.	.			trans	-135.6	154.4	177.6	59.2	87.6	0	0	0	109.8	H141 K150 H205	H141-W143 WeakPolarHBondContact O-CZ3 3.43Å; W143-K150 HydrophobicContact CB-CB 4.46Å; W143-K150 HydrophobicContact CD2-CD 4.03Å; W143-K150 HydrophobicContact CG-CB 4.25Å; W143-K150 HydrophobicContact CG-CD 3.95Å; W143-K150 HydrophobicContact CG-CG 4.19Å; W143-H205 HydrophobicContact CB-CB 4.32Å; W143-H205 AromaticContact CD2-CE1 3.73Å; W143-H205 AromaticContact CD2-NE2 3.99Å; W143-H205 AromaticContact CE3-CE1 3.22Å; W143-H205 AromaticContact CE3-ND1 3.79Å; W143-H205 AromaticContact CE3-NE2 3.84Å; W143-H205 AromaticContact CZ3-CE1 3.87Å
144	I	78.8	Confident	81.9	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.046	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	161.5	163	64.1	-177.8	0	0	0	109.4	W71 Y119 V121 K150 V151 L154	W71-I144 HydrophobicContact CB-CG2 3.79Å; W71-I144 HydrophobicContact CG-CG2 4.07Å; Y119-I144 HydrophobicContact CD1-CG2 3.85Å; Y119-I144 HydrophobicContact CD2-CG2 3.68Å; Y119-I144 HydrophobicContact CE1-CG2 3.6Å; Y119-I144 HydrophobicContact CE2-CG2 3.41Å; Y119-I144 VanDerWaalsContact CE2-CG2 3.41Å; Y119-I144 HydrophobicContact CG-CG2 3.89Å; V121-I144 HydrophobicContact CG2-CD1 3.92Å; I144-K150 WeakPolarHBondContact O-CA 3.22Å; I144-V151 HydrophobicContact CD1-CB 4.47Å; I144-V151 HydrophobicContact CD1-CG1 4.5Å; I144-V151 HydrophobicContact CG1-CB 3.92Å; I144-V151 HydrophobicContact CG1-CG1 4.4Å; I144-V151 PolarHBondContact N-O 3.3Å; I144-V151 PolarHBondContact O-N 3.26Å; I144-L154 HydrophobicContact CD1-CB 3.8Å; I144-L154 HydrophobicContact CD1-CD2 3.42Å; I144-L154 VanDerWaalsContact CD1-CD2 3.42Å; I144-L154 HydrophobicContact CD1-CG 4.24Å
145	I	76.2	Confident	82	Confident	40 Å²	40	27.7 Å²	27.7	21%	0.205	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	107.2	167.6	-52.3	175.2	0	0	0	109.2	R149 K150 S1967	I145-R149 VanDerWaalsContact CA-O 3.27Å; I145-R149 WeakPolarHBondContact CA-O 3.13Å; I145-K150 HydrophobicContact CG1-CG 4.49Å; I145-S1967 WeakPolarHBondContact CB-OG 3.23Å; I145-S1967 VanDerWaalsContact CG2-CB 3.47Å
146	F	70.9	Confident	82	Confident	30 Å²	30	28.2 Å²	28.2	13%	0.132	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.8	179.2	-176.5	-102.5	0	0	0	108	S148 R149 V151 L154 V156 Y208 Y210	F146-S148 VanDerWaalsContact C-N 3.25Å; F146-S148 PolarHBondContact O-N 2.96Å; F146-R149 PolarHBondContact N-O 2.92Å; F146-R149 VanDerWaalsContact N-O 3.08Å; F146-R149 WeakPolarHBondContact O-CB 3.33Å; F146-R149 WeakPolarHBondContact O-CG 3.29Å; F146-R149 PolarHBondContact O-N 2.66Å; F146-V151 HydrophobicContact CB-CG2 4.38Å; F146-L154 HydrophobicContact CB-CD2 4.32Å; F146-L154 HydrophobicContact CD1-CD1 3.75Å; F146-L154 HydrophobicContact CD2-CD1 4.32Å; F146-L154 HydrophobicContact CD2-CD2 3.81Å; F146-L154 HydrophobicContact CE1-CD1 3.85Å; F146-L154 HydrophobicContact CE2-CD1 4.41Å; F146-L154 HydrophobicContact CE2-CD2 4.23Å; F146-L154 HydrophobicContact CG-CD1 4Å; F146-L154 HydrophobicContact CG-CD2 4Å; F146-L154 HydrophobicContact CZ-CD1 4.18Å; F146-V156 HydrophobicContact CZ-CG2 4.14Å; F146-Y208 AromaticContact CD1-CD1 3.71Å; F146-Y208 HydrophobicContact CD1-CD1 3.71Å; F146-Y208 HydrophobicContact CD1-CE1 4.15Å; F146-Y208 HydrophobicContact CD1-CG 4.1Å; F146-Y208 AromaticContact CE1-CD1 3.8Å; F146-Y208 HydrophobicContact CE1-CD1 3.8Å; F146-Y208 HydrophobicContact CE1-CE1 4.26Å; F146-Y210 HydrophobicContact CZ-CD1 4.45Å
147	K	67.4	Low	82	Confident	76 Å²	76	26.7 Å²	26.7	33%	0.33	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	37.1	-176.6	-63.5	-168.8	171.6	-169.9	0	115.4	R149 Y208 Y210	K147-R149 HydrophobicContact CB-CG 4.29Å; K147-R149 WeakPolarHBondContact O-CD 3.35Å; K147-R149 VanDerWaalsContact O-CG 3.3Å; K147-R149 WeakPolarHBondContact O-CG 3.44Å; K147-Y208 HydrophobicContact CD-CE1 4.44Å; K147-Y210 PolarHBondContact NZ-OH 3.22Å; K147-Y210 VanDerWaalsContact NZ-OH 3.11Å
148	S	58.8	Low	82.1	Confident	30 Å²	30	26.6 Å²	26.6	21%	0.21	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	25.4	-175.3	-45.5	0	0	0	0	115.6	F146 R1776	F146-S148 VanDerWaalsContact C-N 3.25Å; F146-S148 PolarHBondContact O-N 2.96Å; S148-R1776 PolarHBondContact OG-NH1 2.85Å
149	R	65.1	Low	81.6	Confident	6 Å²	6	30.5 Å²	30.5	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.7	-172.8	-34.1	-77.7	-77.9	102.4	2.7	109.4	I145 F146 K147 V151 Y208 T235 D237 N2043 L2044	I145-R149 VanDerWaalsContact CA-O 3.27Å; I145-R149 WeakPolarHBondContact CA-O 3.13Å; F146-R149 PolarHBondContact N-O 2.92Å; F146-R149 VanDerWaalsContact N-O 3.08Å; F146-R149 WeakPolarHBondContact O-CB 3.33Å; F146-R149 WeakPolarHBondContact O-CG 3.29Å; F146-R149 PolarHBondContact O-N 2.66Å; K147-R149 HydrophobicContact CB-CG 4.29Å; K147-R149 WeakPolarHBondContact O-CD 3.35Å; K147-R149 VanDerWaalsContact O-CG 3.3Å; K147-R149 WeakPolarHBondContact O-CG 3.44Å; R149-V151 HydrophobicContact CB-CG2 4.12Å; R149-V151 PolarHBondContact O-N 2.78Å; R149-Y208 HydrophobicContact CB-CD2 4.46Å; R149-Y208 HydrophobicContact CB-CE2 3.81Å; R149-Y208 HydrophobicContact CG-CE2 3.5Å; R149-Y208 VanDerWaalsContact CG-CE2 3.5Å; R149-Y208 WeakPolarHBondContact CG-OH 3.27Å; R149-Y208 PolarHBondContact NE-OH 3.13Å; R149-Y208 VanDerWaalsContact NE-OH 3.09Å; R149-T235 PolarHBondContact NH1-OG1 2.89Å; R149-T235 PolarHBondContact NH2-OG1 3.32Å; R149-T235 VanDerWaalsContact NH2-OG1 3.1Å; R149-D237 IonicContact CZ-OD2 3.62Å; R149-D237 IonicContact NE-OD2 3.78Å; R149-D237 IonicContact NH2-OD2 2.74Å; R149-D237 PolarHBondContact NH2-OD2 3.03Å; R149-N2043 VanDerWaalsContact CD-O 3.31Å; R149-N2043 WeakPolarHBondContact CD-O 3.26Å; R149-N2043 PolarHBondContact NE-O 3.02Å; R149-N2043 PolarHBondContact NH1-O 3.31Å; R149-L2044 PolarHBondContact NH1-O 3.27Å
150	K	77.8	Confident	80.9	Confident	62 Å²	62	34.5 Å²	34.5	27%	0.27	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	119.1	170.2	-67.7	-164.5	177.7	-166.9	0	109.5	W143 I144 I145 H205 G206 L1971	W143-K150 HydrophobicContact CB-CB 4.46Å; W143-K150 HydrophobicContact CD2-CD 4.03Å; W143-K150 HydrophobicContact CG-CB 4.25Å; W143-K150 HydrophobicContact CG-CD 3.95Å; W143-K150 HydrophobicContact CG-CG 4.19Å; I144-K150 WeakPolarHBondContact O-CA 3.22Å; I145-K150 HydrophobicContact CG1-CG 4.49Å; K150-H205 HydrophobicContact CB-CB 4.12Å; K150-H205 VanDerWaalsContact CB-CD2 3.49Å; K150-H205 WeakPolarHBondContact CB-CD2 3.32Å; K150-H205 WeakPolarHBondContact CD-CD2 2.96Å; K150-H205 VanDerWaalsContact CD-NE2 3.29Å; K150-H205 WeakPolarHBondContact CD-NE2 3.34Å; K150-H205 PolarHBondContact NZ-NE2 2.98Å; K150-G206 PolarHBondContact O-N 2.03Å; K150-L1971 VanDerWaalsContact CE-CD2 3.45Å
151	V	84.4	Confident	79.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.3	-174.6	176.7	0	0	0	0	110.6	I144 F146 R149 L153 L154 Y208	I144-V151 HydrophobicContact CD1-CB 4.47Å; I144-V151 HydrophobicContact CD1-CG1 4.5Å; I144-V151 HydrophobicContact CG1-CB 3.92Å; I144-V151 HydrophobicContact CG1-CG1 4.4Å; I144-V151 PolarHBondContact N-O 3.3Å; I144-V151 PolarHBondContact O-N 3.26Å; F146-V151 HydrophobicContact CB-CG2 4.38Å; R149-V151 HydrophobicContact CB-CG2 4.12Å; R149-V151 PolarHBondContact O-N 2.78Å; V151-L153 VanDerWaalsContact CG1-C 3.41Å; V151-L153 WeakPolarHBondContact CG1-O 3.31Å; V151-L154 HydrophobicContact CG1-CB 3.96Å; V151-Y208 HydrophobicContact CG2-CD2 3.62Å; V151-Y208 HydrophobicContact CG2-CE2 4.39Å; V151-Y208 HydrophobicContact CG2-CG 4.19Å
152	A	91.2	Very high	78	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-18.1	171.6	0	0	0	0	0	113	Y119 L120 I138 V202 Q204 H205 G206	Y119-A152 CarbonylContact C-O 3.51Å; Y119-A152 VanDerWaalsContact CA-O 3.29Å; Y119-A152 WeakPolarHBondContact CA-O 3.33Å; Y119-A152 WeakPolarHBondContact CB-O 3.41Å; L120-A152 PolarHBondContact N-O 3.38Å; I138-A152 HydrophobicContact CG2-CB 3.91Å; A152-V202 HydrophobicContact CB-CG1 3.8Å; A152-Q204 WeakPolarHBondContact CB-O 3.03Å; A152-H205 HydrophobicContact CB-CB 4.17Å; A152-G206 PolarHBondContact N-O 2.82Å
153	L	94.8	Very high	75.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	113.4	172	172.1	58.2	0	0	0	110.3	L120 I138 V151 V155 M196 G206 I207 Y208 W224	L120-L153 HydrophobicContact CB-CD1 4.08Å; L120-L153 HydrophobicContact CD2-CD1 3.86Å; L120-L153 HydrophobicContact CG-CD1 3.88Å; L120-L153 WeakPolarHBondContact O-CA 3.32Å; I138-L153 HydrophobicContact CD1-CB 4.11Å; I138-L153 HydrophobicContact CD1-CD1 4.31Å; V151-L153 VanDerWaalsContact CG1-C 3.41Å; V151-L153 WeakPolarHBondContact CG1-O 3.31Å; L153-V155 HydrophobicContact CD1-CG2 4.15Å; L153-M196 HydrophobicContact CD2-CE 4.02Å; L153-G206 PolarHBondContact N-O 3.46Å; L153-I207 HydrophobicContact CB-CG1 4.33Å; L153-I207 HydrophobicContact CB-CG2 4.36Å; L153-I207 HydrophobicContact CD2-CG2 3.93Å; L153-I207 HydrophobicContact CG-CG2 4.17Å; L153-I207 WeakPolarHBondContact O-CA 3.45Å; L153-Y208 PolarHBondContact O-N 3.25Å; L153-W224 HydrophobicContact CD2-CH2 4.36Å; L153-W224 HydrophobicContact CD2-CZ3 4.21Å
154	L	93.4	Very high	73.2	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.4	177.9	175.7	62.1	0	0	0	111.2	L120 V121 I122 I144 F146 V151 V156 Y208	L120-L154 PolarHBondContact O-N 3.43Å; V121-L154 CarbonylContact C-O 3.22Å; V121-L154 WeakPolarHBondContact CA-O 3.47Å; V121-L154 HydrophobicContact CG1-CD2 4.38Å; V121-L154 HydrophobicContact CG2-CB 4.48Å; I122-L154 PolarHBondContact N-O 2.97Å; I144-L154 HydrophobicContact CD1-CB 3.8Å; I144-L154 HydrophobicContact CD1-CD2 3.42Å; I144-L154 VanDerWaalsContact CD1-CD2 3.42Å; I144-L154 HydrophobicContact CD1-CG 4.24Å; F146-L154 HydrophobicContact CB-CD2 4.32Å; F146-L154 HydrophobicContact CD1-CD1 3.75Å; F146-L154 HydrophobicContact CD2-CD1 4.32Å; F146-L154 HydrophobicContact CD2-CD2 3.81Å; F146-L154 HydrophobicContact CE1-CD1 3.85Å; F146-L154 HydrophobicContact CE2-CD1 4.41Å; F146-L154 HydrophobicContact CE2-CD2 4.23Å; F146-L154 HydrophobicContact CG-CD1 4Å; F146-L154 HydrophobicContact CG-CD2 4Å; F146-L154 HydrophobicContact CZ-CD1 4.18Å; V151-L154 HydrophobicContact CG1-CB 3.96Å; L154-V156 HydrophobicContact CD1-CB 4.1Å; L154-V156 HydrophobicContact CD1-CG1 3.96Å; L154-V156 HydrophobicContact CD2-CG1 3.91Å; L154-V156 HydrophobicContact CG-CB 4.39Å; L154-V156 HydrophobicContact CG-CG1 3.75Å; L154-Y208 WeakPolarHBondContact CA-O 3.45Å
155	V	92.4	Very high	70.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	106.3	175.9	-176.1	0	0	0	0	108.8	I122 L153 N158 L194 Y208 F209 Y210 N212	I122-V155 HydrophobicContact CB-CG1 4.34Å; I122-V155 HydrophobicContact CB-CG2 4.26Å; I122-V155 HydrophobicContact CD1-CG2 4.12Å; I122-V155 HydrophobicContact CG1-CG2 4.27Å; I122-V155 WeakPolarHBondContact O-CA 3.11Å; L153-V155 HydrophobicContact CD1-CG2 4.15Å; V155-N158 WeakPolarHBondContact CG1-ND2 3.41Å; V155-L194 HydrophobicContact CG1-CD2 4.23Å; V155-L194 HydrophobicContact CG2-CD2 3.98Å; V155-Y208 PolarHBondContact N-O 2.83Å; V155-F209 HydrophobicContact CB-CD1 3.69Å; V155-F209 HydrophobicContact CB-CE1 3.75Å; V155-F209 HydrophobicContact CB-CG 4.1Å; V155-F209 HydrophobicContact CB-CZ 4.19Å; V155-F209 HydrophobicContact CG1-CD1 3.89Å; V155-F209 HydrophobicContact CG1-CE1 3.85Å; V155-F209 HydrophobicContact CG2-CD1 4.19Å; V155-F209 HydrophobicContact CG2-CE1 3.76Å; V155-F209 HydrophobicContact CG2-CE2 4.16Å; V155-F209 HydrophobicContact CG2-CZ 3.74Å; V155-F209 WeakPolarHBondContact O-CA 3.3Å; V155-Y210 PolarHBondContact O-N 2.89Å; V155-N212 PolarHBondContact O-ND2 3.31Å
156	V	90	Very high	68.1	Low	11 Å²	11	59.9 Å²	59.9	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	139	-169.1	57.9	0	0	0	0	115	I122 Y123 F146 L154 N158 Y210	I122-V156 PolarHBondContact O-N 3.04Å; Y123-V156 WeakPolarHBondContact CA-O 3.46Å; Y123-V156 HydrophobicContact CD2-CG1 4.05Å; Y123-V156 VanDerWaalsContact CD2-O 3.31Å; Y123-V156 WeakPolarHBondContact CD2-O 3.48Å; F146-V156 HydrophobicContact CZ-CG2 4.14Å; L154-V156 HydrophobicContact CD1-CB 4.1Å; L154-V156 HydrophobicContact CD1-CG1 3.96Å; L154-V156 HydrophobicContact CD2-CG1 3.91Å; L154-V156 HydrophobicContact CG-CB 4.39Å; L154-V156 HydrophobicContact CG-CG1 3.75Å; V156-N158 PolarHBondContact N-ND2 2.71Å; V156-N158 PolarHBondContact O-N 2.8Å; V156-N158 PolarHBondContact O-ND2 3.38Å; V156-Y210 WeakPolarHBondContact CA-O 3.3Å; V156-Y210 HydrophobicContact CG2-CD1 4.06Å
157	S	87.7	Confident	66	Low	26 Å²	26	63.9 Å²	63.9	18%	0.182	34%	0.341	C	S	.	.			trans	49.8	50.2	172.7	-55.5	0	0	0	0	114.1	G124 Y159 Y210 D211	G124-S157 WeakPolarHBondContact CA-O 2.97Å; G124-S157 PolarHBondContact N-O 3.27Å; S157-Y159 PolarHBondContact O-N 3.42Å; S157-Y159 VanDerWaalsContact O-N 3.13Å; S157-Y210 PolarHBondContact N-O 2.84Å; S157-D211 WeakPolarHBondContact CA-O 3.44Å; S157-D211 WeakPolarHBondContact CB-OD2 3.44Å; S157-D211 PolarHBondContact N-O 3.49Å; S157-D211 PolarHBondContact OG-OD2 3.46Å
158	N	88.9	Confident	63.9	Low	1 Å²	1	65.5 Å²	65.5	1%	0.005	36%	0.362	C	S	.	.			trans	-89	71.2	-177.3	-69.5	-72.1	0	0	0	112.7	I122 Y123 G124 V125 V155 V156 L191 N212	I122-N158 PolarHBondContact O-ND2 2.79Å; I122-N158 VanDerWaalsContact O-ND2 3.1Å; Y123-N158 WeakPolarHBondContact CA-OD1 3.35Å; Y123-N158 PolarHBondContact N-OD1 2.84Å; G124-N158 PolarHBondContact N-OD1 2.74Å; V125-N158 HydrophobicContact CB-CB 4.23Å; V125-N158 WeakPolarHBondContact CB-OD1 3.06Å; V125-N158 WeakPolarHBondContact CG2-OD1 3.05Å; V125-N158 PolarHBondContact N-OD1 2.65Å; V125-N158 CarbonylContact O-C 3.18Å; V125-N158 VanDerWaalsContact O-C 3.22Å; V155-N158 WeakPolarHBondContact CG1-ND2 3.41Å; V156-N158 PolarHBondContact N-ND2 2.71Å; V156-N158 PolarHBondContact O-N 2.8Å; V156-N158 PolarHBondContact O-ND2 3.38Å; N158-L191 HydrophobicContact CB-CB 3.74Å; N158-L191 HydrophobicContact CB-CD2 3.96Å; N158-L191 PolarHBondContact O-N 3.25Å; N158-N212 WeakPolarHBondContact CB-OD1 3.44Å; N158-N212 PolarHBondContact ND2-OD1 2.93Å
159	Y	82.8	Confident	62.3	Low	83 Å²	83	71.6 Å²	71.6	33%	0.325	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	161.1	171.6	59.3	-92.1	0	0	0	110.9	S157 S189 D211 P213	S157-Y159 PolarHBondContact O-N 3.42Å; S157-Y159 VanDerWaalsContact O-N 3.13Å; Y159-S189 CarbonylContact C-O 3.36Å; Y159-S189 VanDerWaalsContact CA-O 3.23Å; Y159-S189 WeakPolarHBondContact CA-O 3.04Å; Y159-S189 WeakPolarHBondContact CB-O 3.47Å; Y159-D211 WeakPolarHBondContact CE1-OD2 3.41Å; Y159-P213 HydrophobicContact CD1-CG 3.92Å; Y159-P213 HydrophobicContact CE1-CG 4.44Å
160	K	71	Confident	60.5	Low	87 Å²	87	78.1 Å²	78.1	38%	0.378	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140	175.7	-152.8	178.3	-172.7	-177.2	0	110.7	D102 S189	D102-K160 VanDerWaalsContact OD1-CD 3.3Å; D102-K160 WeakPolarHBondContact OD1-CD 3.02Å; D102-K160 WeakPolarHBondContact OD1-CE 3.33Å; D102-K160 IonicContact OD1-NZ 2.66Å; D102-K160 PolarHBondContact OD1-NZ 2.91Å; D102-K160 IonicContact OD2-NZ 2.82Å; D102-K160 PolarHBondContact OD2-NZ 2.89Å; K160-S189 WeakPolarHBondContact CB-OG 2.99Å; K160-S189 PolarHBondContact N-O 3.25Å; K160-S189 PolarHBondContact O-N 2.94Å
161	Q	56.6	Low	57.9	Low	147 Å²	147	79.7 Å²	79.7	69%	0.687	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.9	-179.3	-167.2	162.8	-3.8	0	0	109.2	D163 L188	Q161-D163 PolarHBondContact O-N 2.99Å; Q161-L188 HydrophobicContact CB-CD2 4.16Å; Q161-L188 HydrophobicContact CG-CD2 4Å
162	N	47	Very low	55	Low	96 Å²	96	84.2 Å²	84.2	51%	0.513	48%	0.482	S	S	.	.			trans	-75.9	115.5	-178.3	-79.5	-1.4	0	0	0	110.9	L164 G187	N162-L164 PolarHBondContact O-N 3.35Å; N162-G187 WeakPolarHBondContact CB-O 3.33Å; N162-G187 PolarHBondContact ND2-O 3.41Å
163	D	32	Very low	51.9	Low	151 Å²	151	93 Å²	93	81%	0.807	52%	0.523	S	S	*	.			trans	-69	96.9	175.3	-76.9	-48.9	0	0	0	111.9	Q161	Q161-D163 PolarHBondContact O-N 2.99Å
164	L	29.1	Very low	48.4	Very low	162 Å²	162	97.9 Å²	97.9	85%	0.848	56%	0.558	S	S	*	*			trans	-119	51.7	168.7	-86.4	172.5	0	0	0	111.1	N162	N162-L164 PolarHBondContact O-N 3.35Å
165	L	26.1	Very low	45.2	Very low	169 Å²	169	103.2 Å²	103.2	89%	0.885	59%	0.591	S	S	*	*			trans	-156.6	43.7	172.1	-116.4	165.8	0	0	0	115.1
166	S	22.1	Very low	41.9	Very low	114 Å²	114	108.5 Å²	108.5	80%	0.797	63%	0.628	S	S	*	*			trans	-115.2	63.1	176.2	68.1	0	0	0	0	113.4
167	S	26.6	Very low	38.8	Very low	113 Å²	113	114 Å²	114	79%	0.79	67%	0.667	S	S	*	*			trans	-149.5	90.7	172.1	65	0	0	0	0	113
168	S	25.3	Very low	35.8	Very low	110 Å²	110	119 Å²	119	77%	0.769	70%	0.696	S	S	*	*			trans	-82.2	114.5	168.8	54.2	0	0	0	0	111
169	N	24	Very low	32.8	Very low	158 Å²	158	126.4 Å²	126.4	85%	0.845	74%	0.736	S	S	*	*			trans	178.9	164	142.6	-97.5	-34.4	0	0	0	114.4
170	V	28.5	Very low	30.1	Very low	144 Å²	144	129.3 Å²	129.3	87%	0.873	76%	0.756	S	S	*	*			trans	77.7	149.5	172.4	-164.5	0	0	0	0	115.7
171	S	22.9	Very low	28	Very low	95 Å²	95	132.5 Å²	132.5	66%	0.664	78%	0.784	S	S	*	*			trans	-127.7	149.7	-152.5	56.7	0	0	0	0	115
172	S	22.5	Very low	26.6	Very low	94 Å²	94	128.2 Å²	128.2	66%	0.657	78%	0.779	S	S	*	*			trans	55	103.8	141.2	68.7	0	0	0	0	120
173	Q	26	Very low	25.6	Very low	184 Å²	184	131.5 Å²	131.5	86%	0.86	79%	0.788	S	S	*	*				163.4	141.7	108.3	-86.5	-175.6	-3.2	0	0	113.3
174	S	22.5	Very low	25.4	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	79%	0.793	S	S	*	*			trans	-26.4	155.7	164	57.7	0	0	0	0	118.5
175	T	24.4	Very low	25.5	Very low	120 Å²	120	136.6 Å²	136.6	74%	0.736	79%	0.793	S	S	*	*			cis	-151.5	143.4	37.7	50.8	0	0	0	0	115.8
176	S	23.1	Very low	25.7	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	79%	0.793	S	S	*	*			trans	42.3	112.7	143.6	66.1	0	0	0	0	121.8
177	S	25.8	Very low	26.7	Very low	127 Å²	127	136 Å²	136	89%	0.888	78%	0.777	S	S	*	*				-163.7	162.1	115.3	42.3	0	0	0	0	111.2
178	V	25.4	Very low	28	Very low	130 Å²	130	135.2 Å²	135.2	79%	0.788	76%	0.764	S	S	*	*			trans	-100.8	125.9	-166.5	174.6	0	0	0	0	111.4
179	N	24.6	Very low	30.2	Very low	158 Å²	158	131.7 Å²	131.7	85%	0.845	74%	0.739	S	S	*	*			trans	167.2	109.7	134.2	-90	-32	0	0	0	110.8
180	D	27.1	Very low	32.8	Very low	143 Å²	143	126 Å²	126	77%	0.765	71%	0.707	S	S	*	*			trans	-151.7	131.5	156	-159.9	-15.9	0	0	0	111	G182	D180-G182 PolarHBondContact OD1-N 2.95Å
181	T	26.4	Very low	35.6	Very low	155 Å²	155	119.2 Å²	119.2	95%	0.951	67%	0.666	S	S	*	*			trans	-171.7	59	165.3	13.1	0	0	0	0	108.7
182	G	26.2	Very low	38.5	Very low	56 Å²	56	115.8 Å²	115.8	58%	0.577	64%	0.64	S	S	*	*			trans	-169.2	107.3	179.4	0	0	0	0	0	118.9	D180	D180-G182 PolarHBondContact OD1-N 2.95Å
183	K	27.6	Very low	41.4	Very low	166 Å²	166	112 Å²	112	72%	0.722	61%	0.613	S	S	*	*			trans	68.6	83.3	156.1	-55.5	-179.9	178.3	-178.2	0	118.2
184	Q	27	Very low	44.4	Very low	193 Å²	193	103.2 Å²	103.2	90%	0.902	57%	0.572	S	S	*	*			trans	-136.1	108.8	137.9	-72.6	-160.9	5.2	0	0	111.7
185	R	30.6	Very low	47.5	Very low	226 Å²	226	98.9 Å²	98.9	85%	0.853	54%	0.54	S	S	*	.			trans	-149.1	65.4	162.7	-87.5	-163.3	176.2	-168.9	-0.4	108.9
186	Y	32	Very low	50.6	Low	227 Å²	227	93.2 Å²	93.2	89%	0.89	51%	0.505	S	S	*	.			trans	-136.2	101.7	176.5	-73.5	-77	0	0	0	109
187	G	42.4	Very low	53.6	Low	44 Å²	44	89.7 Å²	89.7	45%	0.454	48%	0.479	S	S	.	.			trans	158.5	38.8	-175.2	0	0	0	0	0	115.8	N162	N162-G187 WeakPolarHBondContact CB-O 3.33Å; N162-G187 PolarHBondContact ND2-O 3.41Å
188	L	53.8	Low	56.4	Low	97 Å²	97	85.4 Å²	85.4	51%	0.508	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.1	173.8	-60.3	177.3	0	0	0	109.1	Q161 H190	Q161-L188 HydrophobicContact CB-CD2 4.16Å; Q161-L188 HydrophobicContact CG-CD2 4Å; L188-H190 PolarHBondContact O-CE1 3.46Å; L188-H190 PolarHBondContact O-ND1 2.99Å
189	S	71.2	Confident	59.5	Low	36 Å²	36	79.2 Å²	79.2	25%	0.252	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	148.2	167.8	64.5	0	0	0	0	109.7	G126 Y159 K160	G126-S189 VanDerWaalsContact O-CB 3.31Å; G126-S189 WeakPolarHBondContact O-CB 3.24Å; G126-S189 PolarHBondContact O-OG 3.24Å; Y159-S189 CarbonylContact C-O 3.36Å; Y159-S189 VanDerWaalsContact CA-O 3.23Å; Y159-S189 WeakPolarHBondContact CA-O 3.04Å; Y159-S189 WeakPolarHBondContact CB-O 3.47Å; K160-S189 WeakPolarHBondContact CB-OG 2.99Å; K160-S189 PolarHBondContact N-O 3.25Å; K160-S189 PolarHBondContact O-N 2.94Å
190	H	79.8	Confident	62.1	Low	37 Å²	37	72.4 Å²	72.4	17%	0.171	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	149.9	-166.2	50.6	-94.4	0	0	0	111.8	G126 L188 Q192 Y253	G126-H190 PolarHBondContact O-N 3.08Å; L188-H190 PolarHBondContact O-CE1 3.46Å; L188-H190 PolarHBondContact O-ND1 2.99Å; H190-Q192 VanDerWaalsContact CD2-CG 3.45Å; H190-Q192 WeakPolarHBondContact CD2-CG 3.06Å; H190-Q192 PolarHBondContact NE2-NE2 3.33Å; H190-Y253 AromaticContact NE2-CE2 3.69Å; H190-Y253 AromaticContact NE2-CZ 3.49Å; H190-Y253 PolarHBondContact NE2-OH 2.92Å
191	L	87.1	Confident	64.9	Low	2 Å²	2	65.6 Å²	65.6	1%	0.01	34%	0.339	C	S	.	.			trans	-71.5	126.7	175	-173.6	62.7	0	0	0	110.9	V125 R127 L130 N158 S193 G214 L215	V125-L191 HydrophobicContact CG1-CD1 4.07Å; R127-L191 WeakPolarHBondContact O-CA 3.31Å; R127-L191 WeakPolarHBondContact O-CD1 3.22Å; L130-L191 HydrophobicContact CB-CD1 3.81Å; N158-L191 HydrophobicContact CB-CB 3.74Å; N158-L191 HydrophobicContact CB-CD2 3.96Å; N158-L191 PolarHBondContact O-N 3.25Å; L191-S193 VanDerWaalsContact CD1-O 3.28Å; L191-S193 WeakPolarHBondContact CD1-O 3.1Å; L191-G214 CarbonylContact O-C 3.51Å; L191-G214 WeakPolarHBondContact O-CA 3.46Å; L191-L215 HydrophobicContact CG-CD1 4.37Å; L191-L215 PolarHBondContact O-N 2.93Å
192	Q	82.2	Confident	67.8	Low	24 Å²	24	58.2 Å²	58.2	11%	0.112	29%	0.293	C	S	.	.			trans	-115	-33.8	-174.7	-58.9	173	15.8	0	0	112.8	K128 H190 G214 Y253	K128-Q192 WeakPolarHBondContact O-CA 3.17Å; K128-Q192 WeakPolarHBondContact O-CB 3.38Å; K128-Q192 PolarHBondContact O-N 3.02Å; H190-Q192 VanDerWaalsContact CD2-CG 3.45Å; H190-Q192 WeakPolarHBondContact CD2-CG 3.06Å; H190-Q192 PolarHBondContact NE2-NE2 3.33Å; Q192-G214 WeakPolarHBondContact CA-O 3.35Å; Q192-Y253 WeakPolarHBondContact CG-OH 3.35Å; Q192-Y253 PolarHBondContact NE2-OH 3.37Å; Q192-Y253 PolarHBondContact OE1-OH 2.75Å
193	S	84.3	Confident	70.5	Confident	13 Å²	13	56 Å²	56	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.7	173.7	-157.6	0	0	0	0	110.8	K128 E129 L130 L191 E195	K128-S193 PolarHBondContact O-N 3.02Å; E129-S193 WeakPolarHBondContact CA-O 3.27Å; L130-S193 PolarHBondContact N-O 3.08Å; L191-S193 VanDerWaalsContact CD1-O 3.28Å; L191-S193 WeakPolarHBondContact CD1-O 3.1Å; S193-E195 WeakPolarHBondContact CB-OE1 3.4Å; S193-E195 WeakPolarHBondContact OG-CG 3.42Å; S193-E195 PolarHBondContact OG-OE1 2.9Å
194	L	89.8	Confident	73	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.2	170.4	174.6	65.5	0	0	0	107	I122 L130 L132 V155 M196 F209 L215 T218	I122-L194 HydrophobicContact CD1-CD1 3.79Å; I122-L194 HydrophobicContact CD1-CD2 4.15Å; L130-L194 HydrophobicContact CB-CD1 4.18Å; L130-L194 HydrophobicContact CD2-CD1 4Å; L130-L194 HydrophobicContact CG-CD1 4.44Å; L130-L194 WeakPolarHBondContact O-CA 3.35Å; L132-L194 HydrophobicContact CD1-CD1 3.77Å; V155-L194 HydrophobicContact CG1-CD2 4.23Å; V155-L194 HydrophobicContact CG2-CD2 3.98Å; L194-M196 HydrophobicContact CD2-CE 4.19Å; L194-M196 HydrophobicContact CG-CE 4.49Å; L194-M196 HydrophobicContact CG-CG 4.43Å; L194-F209 HydrophobicContact CD2-CE1 3.93Å; L194-F209 HydrophobicContact CD2-CZ 4.06Å; L194-L215 HydrophobicContact CB-CD1 4.16Å; L194-T218 HydrophobicContact CB-CG2 4.33Å; L194-T218 WeakPolarHBondContact O-CG2 3.41Å
195	E	86.4	Confident	75.7	Confident	13 Å²	13	44.1 Å²	44.1	6%	0.061	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107	-166.9	-74.8	162.9	-155.3	0	0	110.7	L130 R131 L132 S193 Q543	L130-E195 PolarHBondContact O-N 2.89Å; R131-E195 HydrophobicContact CG-CB 4.21Å; R131-E195 IonicContact CZ-OE2 2.63Å; R131-E195 IonicContact NE-OE2 3.84Å; R131-E195 PolarHBondContact NE-OE2 2.96Å; R131-E195 IonicContact NH2-OE2 2.55Å; R131-E195 PolarHBondContact NH2-OE2 3.45Å; L132-E195 CarbonylContact C-O 3.53Å; L132-E195 PolarHBondContact N-O 3.41Å; S193-E195 WeakPolarHBondContact CB-OE1 3.4Å; S193-E195 WeakPolarHBondContact OG-CG 3.42Å; S193-E195 PolarHBondContact OG-OE1 2.9Å; E195-Q543 VanDerWaalsContact CD-NE2 3.31Å; E195-Q543 PolarHBondContact OE1-NE2 3.48Å
196	M	90.4	Very high	78.1	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.			trans	-123.2	57.9	177.7	-45	-169.5	-79	0	0	108.7	L132 L135 L153 L194 S198 F199 W224 W537	L132-M196 HydrophobicContact CB-CG 4.1Å; L132-M196 HydrophobicContact CD1-CG 4.08Å; L132-M196 HydrophobicContact CD1-SD 4.17Å; L135-M196 HydrophobicContact CD2-SD 4.15Å; L153-M196 HydrophobicContact CD2-CE 4.02Å; L194-M196 HydrophobicContact CD2-CE 4.19Å; L194-M196 HydrophobicContact CG-CE 4.49Å; L194-M196 HydrophobicContact CG-CG 4.43Å; M196-S198 VanDerWaalsContact C-N 3.29Å; M196-S198 PolarHBondContact O-N 3.4Å; M196-F199 HydrophobicContact CB-CB 3.88Å; M196-F199 WeakPolarHBondContact O-CB 3.48Å; M196-F199 PolarHBondContact O-N 3.37Å; M196-W224 HydrophobicContact CE-CH2 4.43Å; M196-W537 HydrophobicContact CB-CE3 4.19Å; M196-W537 HydrophobicContact CB-CH2 3.71Å; M196-W537 HydrophobicContact CB-CZ2 4.15Å; M196-W537 HydrophobicContact CB-CZ3 3.69Å; M196-W537 HydrophobicContact CE-CH2 3.81Å; M196-W537 HydrophobicContact CE-CZ3 3.64Å; M196-W537 HydrophobicContact CG-CH2 4.36Å; M196-W537 HydrophobicContact CG-CZ3 3.97Å; M196-W537 WeakPolarHBondContact O-CZ2 3.33Å; M196-W537 PolarHBondContact O-NE1 2.8Å
197	T	84.7	Confident	80.8	Confident	37 Å²	37	22.7 Å²	22.7	23%	0.227	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-30.6	-165.3	47	0	0	0	0	114.2	S133 F199 W537	S133-T197 PolarHBondContact O-OG1 3.24Å; T197-F199 VanDerWaalsContact C-N 3.29Å; T197-F199 PolarHBondContact O-N 3.25Å; T197-W537 HydrophobicContact CG2-CB 4.48Å; T197-W537 HydrophobicContact CG2-CG 4.28Å
198	S	86.1	Confident	83.1	Confident	37 Å²	37	20.7 Å²	20.7	26%	0.259	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	0.3	172.6	-58.8	0	0	0	0	114.6	S133 L135 M196 I200	S133-S198 WeakPolarHBondContact O-CB 3.46Å; S133-S198 PolarHBondContact O-N 2.98Å; S133-S198 PolarHBondContact O-OG 3.46Å; L135-S198 CarbonylContact O-C 3.54Å; M196-S198 VanDerWaalsContact C-N 3.29Å; M196-S198 PolarHBondContact O-N 3.4Å; S198-I200 WeakPolarHBondContact O-CG1 3.23Å; S198-I200 PolarHBondContact O-N 3.03Å
199	F	88.8	Confident	84.7	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.			trans	-72.7	123.5	-169.1	-166.4	-112.2	0	0	0	112.4	L135 I138 M196 T197 V202 M227 W537	L135-F199 HydrophobicContact CD2-CD2 4.19Å; L135-F199 HydrophobicContact CD2-CE2 4.33Å; L135-F199 HydrophobicContact CG-CD2 4Å; L135-F199 HydrophobicContact CG-CE2 4.32Å; L135-F199 WeakPolarHBondContact O-CA 3.37Å; L135-F199 WeakPolarHBondContact O-CB 3.07Å; L135-F199 PolarHBondContact O-N 3.19Å; I138-F199 HydrophobicContact CB-CZ 4.49Å; I138-F199 HydrophobicContact CD1-CE2 3.97Å; I138-F199 HydrophobicContact CD1-CZ 3.94Å; I138-F199 HydrophobicContact CG1-CE2 3.94Å; I138-F199 HydrophobicContact CG1-CZ 4.21Å; M196-F199 HydrophobicContact CB-CB 3.88Å; M196-F199 WeakPolarHBondContact O-CB 3.48Å; M196-F199 PolarHBondContact O-N 3.37Å; T197-F199 VanDerWaalsContact C-N 3.29Å; T197-F199 PolarHBondContact O-N 3.25Å; F199-V202 HydrophobicContact CE1-CG2 4Å; F199-V202 HydrophobicContact CZ-CG2 3.64Å; F199-M227 HydrophobicContact CD1-SD 3.83Å; F199-M227 HydrophobicContact CE1-SD 4.39Å; F199-W537 HydrophobicContact CB-CH2 4.21Å; F199-W537 HydrophobicContact CB-CZ2 3.91Å; F199-W537 HydrophobicContact CD1-CH2 4.38Å
200	I	81.1	Confident	85.4	Confident	14 Å²	14	15.7 Å²	15.7	7%	0.072	8%	0.082	C	C	.	.			trans	-113.2	-43.5	-170.6	-41.6	-176.1	0	0	0	112.1	K136 S198 M227 H548 W560 A596	K136-I200 HydrophobicContact CB-CD1 4.44Å; K136-I200 HydrophobicContact CB-CG1 4.38Å; K136-I200 HydrophobicContact CG-CD1 4.45Å; K136-I200 PolarHBondContact O-N 3.17Å; S198-I200 WeakPolarHBondContact O-CG1 3.23Å; S198-I200 PolarHBondContact O-N 3.03Å; I200-M227 WeakPolarHBondContact O-CA 3.35Å; I200-H548 HydrophobicContact CG2-CB 3.92Å; I200-W560 HydrophobicContact CG2-CZ3 4.3Å; I200-A596 HydrophobicContact CB-CB 3.91Å; I200-A596 HydrophobicContact CG2-CB 3.7Å; I200-A596 VanDerWaalsContact CG2-O 3.23Å; I200-A596 WeakPolarHBondContact CG2-O 3.04Å
201	S	84.4	Confident	85.5	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	148.2	-176.8	-163.4	0	0	0	0	115.9	K136 L137 I138 M227	K136-S201 PolarHBondContact O-N 3.42Å; L137-S201 WeakPolarHBondContact CA-O 3.43Å; I138-S201 PolarHBondContact N-O 2.55Å; I138-S201 VanDerWaalsContact N-O 3.11Å; S201-M227 CarbonylContact C-O 3.54Å; S201-M227 VanDerWaalsContact CA-O 3.31Å; S201-M227 WeakPolarHBondContact CA-O 3.2Å
202	V	87.5	Confident	85.4	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.9	154	-178.7	0	0	0	0	108	I138 A152 F199 Q204 H205 I207 M227 I228 E229 Q234	I138-V202 HydrophobicContact CB-CG2 4.44Å; I138-V202 CarbonylContact O-C 3.51Å; I138-V202 VanDerWaalsContact O-CA 3.28Å; I138-V202 WeakPolarHBondContact O-CA 3.46Å; A152-V202 HydrophobicContact CB-CG1 3.8Å; F199-V202 HydrophobicContact CE1-CG2 4Å; F199-V202 HydrophobicContact CZ-CG2 3.64Å; V202-Q204 VanDerWaalsContact CG1-O 3.23Å; V202-Q204 WeakPolarHBondContact CG1-O 3.13Å; V202-H205 WeakPolarHBondContact CG1-O 3.46Å; V202-I207 HydrophobicContact CG2-CD1 3.79Å; V202-I207 HydrophobicContact CG2-CG1 3.92Å; V202-M227 PolarHBondContact N-O 2.93Å; V202-I228 HydrophobicContact CB-CG2 4.34Å; V202-E229 PolarHBondContact O-N 2.03Å; V202-Q234 PolarHBondContact O-NE2 2.03Å
203	V	83.1	Confident	85.1	Confident	11 Å²	11	15.5 Å²	15.5	7%	0.067	9%	0.085	C	C	.	.			trans	-77.4	-36.8	-174.7	-171.6	0	0	0	0	112.6	L137 I138 K139 A595 L610	L137-V203 HydrophobicContact CD1-CG2 3.73Å; L137-V203 HydrophobicContact CD2-CG2 4.27Å; L137-V203 HydrophobicContact CG-CG2 4.07Å; I138-V203 PolarHBondContact O-N 3.37Å; K139-V203 HydrophobicContact CG-CG2 4.01Å; V203-A595 HydrophobicContact CG2-CB 4.15Å; V203-L610 HydrophobicContact CG1-CD1 3.68Å
204	Q	81.2	Confident	84.8	Confident	79 Å²	79	15 Å²	15	37%	0.369	8%	0.081	S	C	.	.	S	Bend	trans	-138.4	149	178.9	-57	-174.6	7.5	0	0	111	K139 A152 V202	K139-Q204 WeakPolarHBondContact O-CB 3.38Å; K139-Q204 PolarHBondContact O-N 2.02Å; A152-Q204 WeakPolarHBondContact CB-O 3.03Å; V202-Q204 VanDerWaalsContact CG1-O 3.23Å; V202-Q204 WeakPolarHBondContact CG1-O 3.13Å
205	H	82.9	Confident	84.6	Confident	30 Å²	30	15 Å²	15	14%	0.139	8%	0.082	C	C	.	.	S	Bend	trans	66	173.8	177.8	-49.4	111.2	0	0	0	114.4	G140 W143 K150 A152 V202 Q234	G140-H205 PolarHBondContact O-CE1 3.49Å; G140-H205 PolarHBondContact O-ND1 3.49Å; W143-H205 HydrophobicContact CB-CB 4.32Å; W143-H205 AromaticContact CD2-CE1 3.73Å; W143-H205 AromaticContact CD2-NE2 3.99Å; W143-H205 AromaticContact CE3-CE1 3.22Å; W143-H205 AromaticContact CE3-ND1 3.79Å; W143-H205 AromaticContact CE3-NE2 3.84Å; W143-H205 AromaticContact CZ3-CE1 3.87Å; K150-H205 HydrophobicContact CB-CB 4.12Å; K150-H205 VanDerWaalsContact CB-CD2 3.49Å; K150-H205 WeakPolarHBondContact CB-CD2 3.32Å; K150-H205 WeakPolarHBondContact CD-CD2 2.96Å; K150-H205 VanDerWaalsContact CD-NE2 3.29Å; K150-H205 WeakPolarHBondContact CD-NE2 3.34Å; K150-H205 PolarHBondContact NZ-NE2 2.98Å; A152-H205 HydrophobicContact CB-CB 4.17Å; V202-H205 WeakPolarHBondContact CG1-O 3.46Å; H205-Q234 PolarHBondContact O-NE2 3.48Å
206	G	81	Confident	84.2	Confident	2 Å²	2	14.4 Å²	14.4	2%	0.021	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	179.4	-165	0	0	0	0	0	116.8	K150 A152 L153 T235	K150-G206 PolarHBondContact O-N 2.03Å; A152-G206 PolarHBondContact N-O 2.82Å; L153-G206 PolarHBondContact N-O 3.46Å; G206-T235 CarbonylContact C-O 3.56Å; G206-T235 WeakPolarHBondContact CA-O 3.16Å
207	I	89.4	Confident	83.9	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.6	179.2	-57.4	179	0	0	0	108.6	L153 V202 F209 W224 I228 T235 I236 D237	L153-I207 HydrophobicContact CB-CG1 4.33Å; L153-I207 HydrophobicContact CB-CG2 4.36Å; L153-I207 HydrophobicContact CD2-CG2 3.93Å; L153-I207 HydrophobicContact CG-CG2 4.17Å; L153-I207 WeakPolarHBondContact O-CA 3.45Å; V202-I207 HydrophobicContact CG2-CD1 3.79Å; V202-I207 HydrophobicContact CG2-CG1 3.92Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.91Å; I207-W224 HydrophobicContact CD1-CD2 4.37Å; I207-W224 HydrophobicContact CD1-CE3 3.5Å; I207-W224 VanDerWaalsContact CD1-CE3 3.5Å; I207-W224 HydrophobicContact CD1-CZ3 3.88Å; I207-W224 HydrophobicContact CG2-CE3 4.33Å; I207-W224 HydrophobicContact CG2-CZ3 4.27Å; I207-I228 HydrophobicContact CD1-CG2 3.93Å; I207-I228 HydrophobicContact CG1-CG2 4.47Å; I207-T235 PolarHBondContact N-O 2.89Å; I207-I236 HydrophobicContact CB-CG1 4.46Å; I207-I236 WeakPolarHBondContact O-CA 3.05Å; I207-D237 PolarHBondContact O-N 2.87Å; I207-D237 VanDerWaalsContact O-N 3.1Å
208	Y	89.1	Confident	83.5	Confident	3 Å²	3	13.2 Å²	13.2	1%	0.012	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	126.2	180	-111.8	-97.1	0	0	0	112	F146 K147 R149 V151 L153 L154 V155 D237 Y239	F146-Y208 AromaticContact CD1-CD1 3.71Å; F146-Y208 HydrophobicContact CD1-CD1 3.71Å; F146-Y208 HydrophobicContact CD1-CE1 4.15Å; F146-Y208 HydrophobicContact CD1-CG 4.1Å; F146-Y208 AromaticContact CE1-CD1 3.8Å; F146-Y208 HydrophobicContact CE1-CD1 3.8Å; F146-Y208 HydrophobicContact CE1-CE1 4.26Å; K147-Y208 HydrophobicContact CD-CE1 4.44Å; R149-Y208 HydrophobicContact CB-CD2 4.46Å; R149-Y208 HydrophobicContact CB-CE2 3.81Å; R149-Y208 HydrophobicContact CG-CE2 3.5Å; R149-Y208 VanDerWaalsContact CG-CE2 3.5Å; R149-Y208 WeakPolarHBondContact CG-OH 3.27Å; R149-Y208 PolarHBondContact NE-OH 3.13Å; R149-Y208 VanDerWaalsContact NE-OH 3.09Å; V151-Y208 HydrophobicContact CG2-CD2 3.62Å; V151-Y208 HydrophobicContact CG2-CE2 4.39Å; V151-Y208 HydrophobicContact CG2-CG 4.19Å; L153-Y208 PolarHBondContact O-N 3.25Å; L154-Y208 WeakPolarHBondContact CA-O 3.45Å; V155-Y208 PolarHBondContact N-O 2.83Å; Y208-D237 WeakPolarHBondContact CA-O 3.26Å; Y208-D237 HydrophobicContact CD1-CB 4.02Å; Y208-D237 HydrophobicContact CD2-CB 3.96Å; Y208-D237 HydrophobicContact CE1-CB 3.57Å; Y208-D237 HydrophobicContact CE2-CB 3.51Å; Y208-D237 VanDerWaalsContact CE2-OD2 3.23Å; Y208-D237 WeakPolarHBondContact CE2-OD2 3.48Å; Y208-D237 HydrophobicContact CG-CB 4.2Å; Y208-D237 PolarHBondContact OH-OD1 3.17Å; Y208-D237 PolarHBondContact OH-OD2 3.45Å; Y208-Y239 HydrophobicContact CE1-CE2 4.44Å
209	F	88.7	Confident	82.8	Confident	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.7	163.6	-75.2	-112.5	0	0	0	108.4	V155 L194 I207 L215 W224 D237 L238 Y239	V155-F209 HydrophobicContact CB-CD1 3.69Å; V155-F209 HydrophobicContact CB-CE1 3.75Å; V155-F209 HydrophobicContact CB-CG 4.1Å; V155-F209 HydrophobicContact CB-CZ 4.19Å; V155-F209 HydrophobicContact CG1-CD1 3.89Å; V155-F209 HydrophobicContact CG1-CE1 3.85Å; V155-F209 HydrophobicContact CG2-CD1 4.19Å; V155-F209 HydrophobicContact CG2-CE1 3.76Å; V155-F209 HydrophobicContact CG2-CE2 4.16Å; V155-F209 HydrophobicContact CG2-CZ 3.74Å; V155-F209 WeakPolarHBondContact O-CA 3.3Å; L194-F209 HydrophobicContact CD2-CE1 3.93Å; L194-F209 HydrophobicContact CD2-CZ 4.06Å; I207-F209 HydrophobicContact CG2-CD2 4.12Å; I207-F209 HydrophobicContact CG2-CE2 3.91Å; F209-L215 HydrophobicContact CD1-CD2 3.88Å; F209-L215 HydrophobicContact CE1-CD2 3.86Å; F209-W224 HydrophobicContact CD2-CZ2 4.45Å; F209-W224 AromaticContact CE2-CH2 3.7Å; F209-W224 HydrophobicContact CE2-CH2 3.7Å; F209-W224 AromaticContact CE2-CZ2 3.52Å; F209-W224 HydrophobicContact CE2-CZ2 3.52Å; F209-W224 AromaticContact CZ-CH2 3.88Å; F209-W224 HydrophobicContact CZ-CH2 3.88Å; F209-W224 AromaticContact CZ-CZ2 3.75Å; F209-W224 HydrophobicContact CZ-CZ2 3.75Å; F209-D237 PolarHBondContact N-O 3Å; F209-L238 HydrophobicContact CB-CD2 3.89Å; F209-L238 HydrophobicContact CD2-CD2 3.42Å; F209-L238 VanDerWaalsContact CD2-CD2 3.42Å; F209-L238 HydrophobicContact CE2-CD2 4.24Å; F209-L238 HydrophobicContact CG-CD2 3.92Å; F209-Y239 PolarHBondContact O-N 2.83Å
210	Y	84.8	Confident	82.2	Confident	28 Å²	28	13.8 Å²	13.8	11%	0.11	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133.6	178.9	-170.4	-108.2	0	0	0	111.5	F146 K147 V155 V156 S157 N212 Y239 H242	F146-Y210 HydrophobicContact CZ-CD1 4.45Å; K147-Y210 PolarHBondContact NZ-OH 3.22Å; K147-Y210 VanDerWaalsContact NZ-OH 3.11Å; V155-Y210 PolarHBondContact O-N 2.89Å; V156-Y210 WeakPolarHBondContact CA-O 3.3Å; V156-Y210 HydrophobicContact CG2-CD1 4.06Å; S157-Y210 PolarHBondContact N-O 2.84Å; Y210-N212 PolarHBondContact N-ND2 2.82Å; Y210-N212 PolarHBondContact O-ND2 3.23Å; Y210-Y239 CarbonylContact C-O 3.39Å; Y210-Y239 VanDerWaalsContact CA-O 3.3Å; Y210-Y239 WeakPolarHBondContact CA-O 3Å; Y210-Y239 AromaticContact CD2-CD2 3.79Å; Y210-Y239 HydrophobicContact CD2-CD2 3.79Å; Y210-Y239 HydrophobicContact CD2-CG 4.04Å; Y210-Y239 HydrophobicContact CE2-CD2 4.39Å; Y210-Y239 HydrophobicContact CE2-CG 4.42Å; Y210-H242 AromaticContact CE1-CD2 3.96Å; Y210-H242 AromaticContact CZ-CD2 3.8Å; Y210-H242 PolarHBondContact OH-CD2 2.99Å; Y210-H242 PolarHBondContact OH-NE2 2.95Å; Y210-H242 VanDerWaalsContact OH-NE2 3.1Å
211	D	83.2	Confident	82.3	Confident	17 Å²	17	13.3 Å²	13.3	9%	0.091	7%	0.067	C	C	.	.			trans	56.6	64.7	170.5	-176.2	43.3	0	0	0	113.3	S157 Y159 Y239	S157-D211 WeakPolarHBondContact CA-O 3.44Å; S157-D211 WeakPolarHBondContact CB-OD2 3.44Å; S157-D211 PolarHBondContact N-O 3.49Å; S157-D211 PolarHBondContact OG-OD2 3.46Å; Y159-D211 WeakPolarHBondContact CE1-OD2 3.41Å; D211-Y239 PolarHBondContact N-O 3.09Å; D211-Y239 VanDerWaalsContact N-O 3.14Å
212	N	84.2	Confident	82.4	Confident	3 Å²	3	13.9 Å²	13.9	2%	0.016	7%	0.07	C	C	.	.			trans	-129.4	70.1	179.7	-63.3	-79.8	0	0	0	109.8	V155 N158 Y210 G214 L215 A240	V155-N212 PolarHBondContact O-ND2 3.31Å; N158-N212 WeakPolarHBondContact CB-OD1 3.44Å; N158-N212 PolarHBondContact ND2-OD1 2.93Å; Y210-N212 PolarHBondContact N-ND2 2.82Å; Y210-N212 PolarHBondContact O-ND2 3.23Å; N212-G214 VanDerWaalsContact C-N 3.25Å; N212-G214 PolarHBondContact O-N 2.92Å; N212-G214 VanDerWaalsContact O-N 3.1Å; N212-L215 HydrophobicContact CB-CB 3.87Å; N212-L215 HydrophobicContact CB-CD2 4.11Å; N212-L215 WeakPolarHBondContact O-CB 3.4Å; N212-L215 PolarHBondContact O-N 3.18Å; N212-A240 CarbonylContact C-O 3.51Å; N212-A240 PolarHBondContact N-O 3.27Å
213	P	76.1	Confident	82.3	Confident	38 Å²	38	14.9 Å²	14.9	25%	0.247	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.8	-166.3	20.6	-33.5	0	0	0	115.5	Y159 L241	Y159-P213 HydrophobicContact CD1-CG 3.92Å; Y159-P213 HydrophobicContact CE1-CG 4.44Å; P213-L241 HydrophobicContact CB-CD2 3.74Å
214	G	78.6	Confident	82.3	Confident	2 Å²	2	14.7 Å²	14.7	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-12.9	177.2	0	0	0	0	0	115.2	L191 Q192 N212 C216	L191-G214 CarbonylContact O-C 3.51Å; L191-G214 WeakPolarHBondContact O-CA 3.46Å; Q192-G214 WeakPolarHBondContact CA-O 3.35Å; N212-G214 VanDerWaalsContact C-N 3.25Å; N212-G214 PolarHBondContact O-N 2.92Å; N212-G214 VanDerWaalsContact O-N 3.1Å; G214-C216 PolarHBondContact O-N 2.82Å
215	L	84.6	Confident	82.1	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.076	C	C	.	.			trans	-88.7	108.8	-165.9	-165.8	67.5	0	0	0	110.8	L191 L194 F209 N212 T218 P219 W250	L191-L215 HydrophobicContact CG-CD1 4.37Å; L191-L215 PolarHBondContact O-N 2.93Å; L194-L215 HydrophobicContact CB-CD1 4.16Å; F209-L215 HydrophobicContact CD1-CD2 3.88Å; F209-L215 HydrophobicContact CE1-CD2 3.86Å; N212-L215 HydrophobicContact CB-CB 3.87Å; N212-L215 HydrophobicContact CB-CD2 4.11Å; N212-L215 WeakPolarHBondContact O-CB 3.4Å; N212-L215 PolarHBondContact O-N 3.18Å; L215-T218 WeakPolarHBondContact CD1-OG1 3.47Å; L215-T218 WeakPolarHBondContact CG-OG1 3.02Å; L215-P219 HydrophobicContact CD2-CG 4.47Å; L215-W250 PolarHBondContact O-NE1 3.39Å; L215-W250 VanDerWaalsContact O-NE1 3.13Å
216	C	78.4	Confident	81.8	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.072	C	C	.	.			trans	-93.3	-43.2	-170.2	-61.5	0	0	0	0	114.6	G214 C254 Y258 L521	G214-C216 PolarHBondContact O-N 2.82Å; C216-C254 VanDerWaalsContact CA-SG 3.57Å; C216-C254 HydrophobicContact CB-CB 3.89Å; C216-C254 WeakPolarHBondContact CB-SG 3.36Å; C216-C254 WeakPolarHBondContact SG-CB 3.29Å; C216-C254 CovalentContact SG-SG 2.04Å; C216-C254 PolarHBondContact SG-SG 3.47Å; C216-Y258 HydrophobicContact CB-CD2 4.05Å; C216-Y258 HydrophobicContact CB-CE2 3.69Å; C216-L521 HydrophobicContact CB-CD1 3.79Å; C216-L521 WeakPolarHBondContact O-CD1 3.3Å
217	Y	84.9	Confident	82	Confident	10 Å²	10	14 Å²	14	4%	0.039	7%	0.071	C	C	.	.	S	Bend	trans	-91.9	-66.4	-169.3	-82.1	-99	0	0	0	113.9	P219 F220 T221 Y258 L521 W537	Y217-P219 VanDerWaalsContact O-N 3.11Å; Y217-F220 PolarHBondContact O-N 3.05Å; Y217-T221 VanDerWaalsContact C-OG1 3.24Å; Y217-T221 WeakPolarHBondContact CB-OG1 3.02Å; Y217-T221 HydrophobicContact CD1-CG2 3.72Å; Y217-T221 HydrophobicContact CE1-CG2 4.32Å; Y217-T221 HydrophobicContact CG-CG2 4.44Å; Y217-T221 PolarHBondContact O-N 3.32Å; Y217-T221 PolarHBondContact O-OG1 3.42Å; Y217-Y258 HydrophobicContact CD2-CE2 4.22Å; Y217-Y258 AromaticContact CE2-CD1 3.76Å; Y217-Y258 HydrophobicContact CE2-CD1 3.76Å; Y217-Y258 AromaticContact CE2-CD2 3.82Å; Y217-Y258 HydrophobicContact CE2-CD2 3.82Å; Y217-Y258 AromaticContact CE2-CE1 3.71Å; Y217-Y258 HydrophobicContact CE2-CE1 3.71Å; Y217-Y258 AromaticContact CE2-CE2 3.78Å; Y217-Y258 HydrophobicContact CE2-CE2 3.78Å; Y217-Y258 AromaticContact CE2-CG 3.81Å; Y217-Y258 HydrophobicContact CE2-CG 3.81Å; Y217-Y258 AromaticContact CE2-CZ 3.72Å; Y217-L521 HydrophobicContact CD1-CB 4.37Å; Y217-L521 HydrophobicContact CD2-CD1 4.08Å; Y217-L521 HydrophobicContact CE1-CB 3.89Å; Y217-L521 HydrophobicContact CE2-CD1 4.05Å; Y217-L521 HydrophobicContact CG-CD1 4.34Å; Y217-W537 WeakPolarHBondContact CB-O 3.45Å
218	T	75.3	Confident	81.6	Confident	2 Å²	2	14 Å²	14	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-42.8	-47	-168.1	14.1	0	0	0	0	117.1	L194 L215 F220 L222 W224 W537	L194-T218 HydrophobicContact CB-CG2 4.33Å; L194-T218 WeakPolarHBondContact O-CG2 3.41Å; L215-T218 WeakPolarHBondContact CD1-OG1 3.47Å; L215-T218 WeakPolarHBondContact CG-OG1 3.02Å; T218-F220 VanDerWaalsContact C-N 3.27Å; T218-F220 PolarHBondContact O-N 3.09Å; T218-L222 HydrophobicContact CG2-CD1 3.95Å; T218-W224 PolarHBondContact O-NE1 2.98Å; T218-W537 HydrophobicContact CG2-CD2 4.43Å; T218-W537 HydrophobicContact CG2-CE3 3.33Å; T218-W537 HydrophobicContact CG2-CZ3 3.57Å
219	P	71.2	Confident	80.9	Confident	6 Å²	6	15.7 Å²	15.7	4%	0.039	8%	0.079	C	C	.	.	H	α-helix	trans	-71.3	-12.9	178.7	25.7	-33.3	0	0	0	114.8	L215 Y217 L238	L215-P219 HydrophobicContact CD2-CG 4.47Å; Y217-P219 VanDerWaalsContact O-N 3.11Å; P219-L238 HydrophobicContact CB-CB 4.34Å; P219-L238 VanDerWaalsContact O-CD1 3.31Å; P219-L238 WeakPolarHBondContact O-CD1 3.19Å
220	F	75.9	Confident	79.8	Confident	44 Å²	44	17.3 Å²	17.3	19%	0.193	9%	0.09	C	C	.	.	H	α-helix	trans	-130.9	-19.6	-169.7	-53	-53.4	0	0	0	115.6	Y217 T218 A240 W250 Y518 K533	Y217-F220 PolarHBondContact O-N 3.05Å; T218-F220 VanDerWaalsContact C-N 3.27Å; T218-F220 PolarHBondContact O-N 3.09Å; F220-A240 HydrophobicContact CE2-CB 3.78Å; F220-A240 HydrophobicContact CZ-CB 3.67Å; F220-W250 HydrophobicContact CD2-CH2 4.09Å; F220-W250 AromaticContact CD2-CZ2 3.64Å; F220-W250 HydrophobicContact CD2-CZ2 3.64Å; F220-W250 AromaticContact CE2-CE2 3.95Å; F220-W250 HydrophobicContact CE2-CH2 4.2Å; F220-W250 AromaticContact CE2-CZ2 3.54Å; F220-W250 HydrophobicContact CE2-CZ2 3.54Å; F220-Y518 HydrophobicContact CE1-CD2 4.21Å; F220-Y518 HydrophobicContact CE1-CE2 4.28Å; F220-Y518 HydrophobicContact CE1-CG 4.43Å; F220-Y518 HydrophobicContact CE2-CD1 4.11Å; F220-Y518 HydrophobicContact CE2-CE1 4.27Å; F220-Y518 HydrophobicContact CE2-CG 4.45Å; F220-Y518 HydrophobicContact CZ-CD1 4.1Å; F220-Y518 HydrophobicContact CZ-CD2 4.31Å; F220-Y518 HydrophobicContact CZ-CE1 4Å; F220-Y518 HydrophobicContact CZ-CE2 4.21Å; F220-Y518 HydrophobicContact CZ-CG 4.26Å; F220-K533 PolarHBondContact O-NZ 3.24Å
221	T	84	Confident	78.4	Confident	4 Å²	4	18.4 Å²	18.4	3%	0.025	10%	0.102	C	C	.	.	H	α-helix	trans	-103.9	1.6	-179.7	57.9	0	0	0	0	114.4	Y217 L521 Y535 C536	Y217-T221 VanDerWaalsContact C-OG1 3.24Å; Y217-T221 WeakPolarHBondContact CB-OG1 3.02Å; Y217-T221 HydrophobicContact CD1-CG2 3.72Å; Y217-T221 HydrophobicContact CE1-CG2 4.32Å; Y217-T221 HydrophobicContact CG-CG2 4.44Å; Y217-T221 PolarHBondContact O-N 3.32Å; Y217-T221 PolarHBondContact O-OG1 3.42Å; T221-L521 HydrophobicContact CG2-CB 4.03Å; T221-Y535 CarbonylContact O-C 3.54Å; T221-Y535 WeakPolarHBondContact O-CA 3.29Å; T221-Y535 WeakPolarHBondContact O-CD1 3.35Å; T221-C536 CarbonylContact C-O 3.52Å; T221-C536 WeakPolarHBondContact CB-O 3.11Å; T221-C536 PolarHBondContact O-N 2.87Å; T221-C536 PolarHBondContact OG1-O 2.74Å
222	L	86.7	Confident	76.6	Confident	12 Å²	12	18.3 Å²	18.3	6%	0.063	10%	0.101	C	C	.	.	S	Bend	trans	-101.4	154.3	174.2	-67.3	174.9	0	0	0	112.5	T218 W224 M227 C536 W537 Q545	T218-L222 HydrophobicContact CG2-CD1 3.95Å; L222-W224 HydrophobicContact CB-CD2 4.44Å; L222-W224 HydrophobicContact CD1-CH2 3.93Å; L222-W224 HydrophobicContact CD1-CZ2 3.56Å; L222-M227 HydrophobicContact CD1-CE 4.34Å; L222-M227 HydrophobicContact CD2-CE 4.02Å; L222-C536 VanDerWaalsContact CD2-C 3.46Å; L222-C536 WeakPolarHBondContact CD2-O 3.42Å; L222-W537 HydrophobicContact CD1-CD2 3.85Å; L222-W537 HydrophobicContact CD1-CE3 3.67Å; L222-W537 HydrophobicContact CD1-CH2 3.52Å; L222-W537 HydrophobicContact CD1-CZ2 3.78Å; L222-W537 HydrophobicContact CD1-CZ3 3.49Å; L222-W537 VanDerWaalsContact CD1-CZ3 3.49Å; L222-W537 HydrophobicContact CD2-CD2 4.01Å; L222-W537 HydrophobicContact CD2-CG 4.12Å; L222-W537 HydrophobicContact CD2-CZ2 4.26Å; L222-Q545 HydrophobicContact CD2-CB 4.01Å; L222-Q545 HydrophobicContact CD2-CG 4.43Å
223	K	84.7	Confident	75	Confident	21 Å²	21	21.9 Å²	21.9	9%	0.091	12%	0.12	C	C	.	.			trans	-103.7	85.7	169.3	-164	178.3	171.9	-161.5	0	108.9	D225 E226 Y535 Q545	K223-D225 VanDerWaalsContact C-N 3.26Å; K223-D225 PolarHBondContact O-N 2.02Å; K223-E226 HydrophobicContact CB-CG 4.04Å; K223-E226 HydrophobicContact CD-CG 3.63Å; K223-E226 WeakPolarHBondContact CE-OE1 3.08Å; K223-E226 HydrophobicContact CG-CG 3.84Å; K223-E226 IonicContact NZ-OE1 3.56Å; K223-E226 PolarHBondContact NZ-OE1 2.86Å; K223-E226 WeakPolarHBondContact O-CB 3.26Å; K223-E226 PolarHBondContact O-N 3.3Å; K223-Y535 HydrophobicContact CB-CD1 3.61Å; K223-Y535 HydrophobicContact CB-CD2 4.42Å; K223-Y535 HydrophobicContact CB-CE1 3.59Å; K223-Y535 HydrophobicContact CB-CE2 4.45Å; K223-Y535 HydrophobicContact CB-CG 3.99Å; K223-Y535 HydrophobicContact CD-CE1 4.49Å; K223-Y535 HydrophobicContact CD-CE2 4.34Å; K223-Y535 HydrophobicContact CG-CE1 4.16Å; K223-Q545 PolarHBondContact O-NE2 2.77Å
224	W	83.5	Confident	74.4	Confident	7 Å²	7	20.5 Å²	20.5	3%	0.027	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-64.5	-25.7	-175	-67.7	103	0	0	0	113.5	L153 M196 I207 F209 T218 L222 E226 M227 I236 L238 W537	L153-W224 HydrophobicContact CD2-CH2 4.36Å; L153-W224 HydrophobicContact CD2-CZ3 4.21Å; M196-W224 HydrophobicContact CE-CH2 4.43Å; I207-W224 HydrophobicContact CD1-CD2 4.37Å; I207-W224 HydrophobicContact CD1-CE3 3.5Å; I207-W224 VanDerWaalsContact CD1-CE3 3.5Å; I207-W224 HydrophobicContact CD1-CZ3 3.88Å; I207-W224 HydrophobicContact CG2-CE3 4.33Å; I207-W224 HydrophobicContact CG2-CZ3 4.27Å; F209-W224 HydrophobicContact CD2-CZ2 4.45Å; F209-W224 AromaticContact CE2-CH2 3.7Å; F209-W224 HydrophobicContact CE2-CH2 3.7Å; F209-W224 AromaticContact CE2-CZ2 3.52Å; F209-W224 HydrophobicContact CE2-CZ2 3.52Å; F209-W224 AromaticContact CZ-CH2 3.88Å; F209-W224 HydrophobicContact CZ-CH2 3.88Å; F209-W224 AromaticContact CZ-CZ2 3.75Å; F209-W224 HydrophobicContact CZ-CZ2 3.75Å; T218-W224 PolarHBondContact O-NE1 2.98Å; L222-W224 HydrophobicContact CB-CD2 4.44Å; L222-W224 HydrophobicContact CD1-CH2 3.93Å; L222-W224 HydrophobicContact CD1-CZ2 3.56Å; W224-E226 PolarHBondContact O-N 2.93Å; W224-E226 VanDerWaalsContact O-N 3.16Å; W224-M227 HydrophobicContact CD2-SD 4.48Å; W224-M227 HydrophobicContact CE3-SD 3.65Å; W224-M227 HydrophobicContact CZ3-SD 3.85Å; W224-M227 CarbonylContact O-C 3.59Å; W224-M227 WeakPolarHBondContact O-CA 3.06Å; W224-M227 WeakPolarHBondContact O-CB 3.34Å; W224-M227 PolarHBondContact O-N 3.48Å; W224-I236 HydrophobicContact CB-CD1 3.52Å; W224-I236 HydrophobicContact CB-CG1 4.08Å; W224-I236 HydrophobicContact CB-CG2 4.02Å; W224-I236 HydrophobicContact CG-CG2 4.22Å; W224-L238 VanDerWaalsContact CD1-CD1 3.49Å; W224-L238 HydrophobicContact CG-CD1 4.47Å; W224-W537 HydrophobicContact CH2-CH2 4.04Å; W224-W537 HydrophobicContact CH2-CZ3 4.31Å; W224-W537 HydrophobicContact CZ3-CH2 4.35Å
225	D	75.9	Confident	74	Confident	84 Å²	84	20.8 Å²	20.8	45%	0.449	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-61.5	-22.1	175.3	-23.5	-48.4	0	0	0	113.4	K223 M227 K549	K223-D225 VanDerWaalsContact C-N 3.26Å; K223-D225 PolarHBondContact O-N 2.02Å; D225-M227 VanDerWaalsContact C-N 3.29Å; D225-K549 PolarHBondContact O-NZ 2.79Å
226	E	78.3	Confident	73.4	Confident	10 Å²	10	22.7 Å²	22.7	5%	0.047	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-77.7	-16.8	173.2	-57.4	-76.5	161.4	0	0	111.9	K223 W224 Q551 W560	K223-E226 HydrophobicContact CB-CG 4.04Å; K223-E226 HydrophobicContact CD-CG 3.63Å; K223-E226 WeakPolarHBondContact CE-OE1 3.08Å; K223-E226 HydrophobicContact CG-CG 3.84Å; K223-E226 IonicContact NZ-OE1 3.56Å; K223-E226 PolarHBondContact NZ-OE1 2.86Å; K223-E226 WeakPolarHBondContact O-CB 3.26Å; K223-E226 PolarHBondContact O-N 3.3Å; W224-E226 PolarHBondContact O-N 2.93Å; W224-E226 VanDerWaalsContact O-N 3.16Å; E226-Q551 PolarHBondContact OE1-NE2 3.13Å; E226-Q551 PolarHBondContact OE2-NE2 3.06Å; E226-W560 WeakPolarHBondContact O-CH2 3.39Å
227	M	83.9	Confident	73.2	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.125	C	C	.	.	S	Bend	trans	-113	16.9	-171.5	-52.9	180	-176.3	0	0	114.5	F199 I200 S201 V202 L222 W224 D225 W537 Q545	F199-M227 HydrophobicContact CD1-SD 3.83Å; F199-M227 HydrophobicContact CE1-SD 4.39Å; I200-M227 WeakPolarHBondContact O-CA 3.35Å; S201-M227 CarbonylContact C-O 3.54Å; S201-M227 VanDerWaalsContact CA-O 3.31Å; S201-M227 WeakPolarHBondContact CA-O 3.2Å; V202-M227 PolarHBondContact N-O 2.93Å; L222-M227 HydrophobicContact CD1-CE 4.34Å; L222-M227 HydrophobicContact CD2-CE 4.02Å; W224-M227 HydrophobicContact CD2-SD 4.48Å; W224-M227 HydrophobicContact CE3-SD 3.65Å; W224-M227 HydrophobicContact CZ3-SD 3.85Å; W224-M227 CarbonylContact O-C 3.59Å; W224-M227 WeakPolarHBondContact O-CA 3.06Å; W224-M227 WeakPolarHBondContact O-CB 3.34Å; W224-M227 PolarHBondContact O-N 3.48Å; D225-M227 VanDerWaalsContact C-N 3.29Å; M227-W537 HydrophobicContact CE-CH2 4.33Å; M227-W537 HydrophobicContact CE-CZ2 3.59Å; M227-W537 HydrophobicContact SD-CH2 4.49Å; M227-W537 HydrophobicContact SD-CZ2 4.19Å; M227-Q545 VanDerWaalsContact CE-CD 3.46Å; M227-Q545 HydrophobicContact CE-CG 3.75Å
228	I	81.3	Confident	72.9	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-128.1	145	172.3	55.7	177	0	0	0	108.3	V202 I207 Q234 I236 K549	V202-I228 HydrophobicContact CB-CG2 4.34Å; I207-I228 HydrophobicContact CD1-CG2 3.93Å; I207-I228 HydrophobicContact CG1-CG2 4.47Å; I228-Q234 HydrophobicContact CB-CB 4.16Å; I228-Q234 HydrophobicContact CD1-CB 4.16Å; I228-Q234 HydrophobicContact CG2-CB 4.34Å; I228-I236 HydrophobicContact CD1-CD1 3.61Å; I228-I236 HydrophobicContact CD1-CG1 4.26Å; I228-I236 HydrophobicContact CG1-CD1 4.46Å; I228-K549 WeakPolarHBondContact O-CE 3.42Å; I228-K549 PolarHBondContact O-NZ 2.77Å
229	E	74.3	Confident	72.8	Confident	38 Å²	38	29.3 Å²	29.3	18%	0.178	15%	0.151	C	C	.	.	S	Bend	trans	-66.2	-49.7	-177.6	-162.7	63.7	-132.7	0	0	111.2	V202 S558 W560 L610	V202-E229 PolarHBondContact O-N 2.03Å; E229-S558 WeakPolarHBondContact OE1-CB 3.18Å; E229-W560 PolarHBondContact OE1-NE1 3.18Å; E229-W560 WeakPolarHBondContact OE2-CZ2 3.47Å; E229-W560 PolarHBondContact OE2-NE1 3.19Å; E229-L610 HydrophobicContact CG-CD1 4.25Å
230	S	66.5	Low	72.4	Confident	33 Å²	33	29.1 Å²	29.1	23%	0.231	15%	0.15	C	C	.	.			trans	-126.6	117.8	174.7	173.9	0	0	0	0	112	E232 L233 Q234	S230-E232 PolarHBondContact O-N 2.03Å; S230-E232 PolarHBondContact OG-N 2.81Å; S230-L233 PolarHBondContact O-N 2.93Å; S230-L233 PolarHBondContact OG-N 2.04Å; S230-Q234 VanDerWaalsContact O-CB 3.29Å; S230-Q234 WeakPolarHBondContact O-CB 3.48Å; S230-Q234 PolarHBondContact O-N 3.31Å
231	S	55.2	Low	71.6	Confident	52 Å²	52	28 Å²	28	36%	0.364	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.5	172.6	49.7	0	0	0	0	113.7
232	E	45.6	Very low	70.1	Confident	14 Å²	14	31.6 Å²	31.6	7%	0.065	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.6	177.1	-63.9	-165.1	-178.8	0	0	113.1	S230 Y1224 P2046 E2047 E2048	S230-E232 PolarHBondContact O-N 2.03Å; S230-E232 PolarHBondContact OG-N 2.81Å; E232-Y1224 HydrophobicContact CG-CE2 4.46Å; E232-Y1224 VanDerWaalsContact OE1-CE2 3.26Å; E232-Y1224 WeakPolarHBondContact OE1-CE2 3.37Å; E232-Y1224 VanDerWaalsContact OE1-CZ 3.28Å; E232-Y1224 PolarHBondContact OE1-OH 3.18Å; E232-P2046 CarbonylContact O-C 3.56Å; E232-P2046 VanDerWaalsContact O-C 3.25Å; E232-P2046 WeakPolarHBondContact O-CA 2.99Å; E232-P2046 WeakPolarHBondContact O-CB 3.41Å; E232-E2047 HydrophobicContact CB-CB 3.93Å; E232-E2047 HydrophobicContact CG-CB 4.05Å; E232-E2047 PolarHBondContact O-N 3.41Å; E232-E2048 HydrophobicContact CB-CB 4.09Å; E232-E2048 PolarHBondContact O-N 2.96Å; E232-E2048 VanDerWaalsContact O-N 3.08Å
233	L	49.6	Very low	68.3	Low	78 Å²	78	35.7 Å²	35.7	41%	0.408	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-25.8	177.2	-75.7	172.5	0	0	0	113.8	S230 P2046 E2048	S230-L233 PolarHBondContact O-N 2.93Å; S230-L233 PolarHBondContact OG-N 2.04Å; L233-P2046 HydrophobicContact CD2-CB 4.01Å; L233-P2046 HydrophobicContact CD2-CG 4.44Å; L233-E2048 WeakPolarHBondContact CD1-OE1 3.27Å; L233-E2048 HydrophobicContact CD2-CB 4.04Å; L233-E2048 WeakPolarHBondContact CD2-OE2 3.34Å; L233-E2048 HydrophobicContact CG-CB 4.33Å
234	Q	64.9	Low	66.4	Low	9 Å²	9	41.5 Å²	41.5	4%	0.042	22%	0.224	C	C	.	.	S	Bend	trans	-115.9	143.3	-172.5	-58.7	174.5	-98.4	0	0	110.9	V202 H205 I228 S230	V202-Q234 PolarHBondContact O-NE2 2.03Å; H205-Q234 PolarHBondContact O-NE2 3.48Å; I228-Q234 HydrophobicContact CB-CB 4.16Å; I228-Q234 HydrophobicContact CD1-CB 4.16Å; I228-Q234 HydrophobicContact CG2-CB 4.34Å; S230-Q234 VanDerWaalsContact O-CB 3.29Å; S230-Q234 WeakPolarHBondContact O-CB 3.48Å; S230-Q234 PolarHBondContact O-N 3.31Å
235	T	68.7	Low	64.7	Low	9 Å²	9	45.4 Å²	45.4	6%	0.055	25%	0.245	C	C	.	.			trans	-126.1	129.4	-157.2	73.7	0	0	0	0	111.6	R149 G206 I207 L2044	R149-T235 PolarHBondContact NH1-OG1 2.89Å; R149-T235 PolarHBondContact NH2-OG1 3.32Å; R149-T235 VanDerWaalsContact NH2-OG1 3.1Å; G206-T235 CarbonylContact C-O 3.56Å; G206-T235 WeakPolarHBondContact CA-O 3.16Å; I207-T235 PolarHBondContact N-O 2.89Å; T235-L2044 HydrophobicContact CG2-CB 3.49Å; T235-L2044 VanDerWaalsContact CG2-CB 3.49Å; T235-L2044 HydrophobicContact CG2-CD2 3.9Å; T235-L2044 HydrophobicContact CG2-CG 4.23Å
236	I	73.3	Confident	63.5	Low	40 Å²	40	46.5 Å²	46.5	21%	0.205	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.7	-175.1	-61	152.9	0	0	0	109.3	I207 W224 I228 L238	I207-I236 HydrophobicContact CB-CG1 4.46Å; I207-I236 WeakPolarHBondContact O-CA 3.05Å; W224-I236 HydrophobicContact CB-CD1 3.52Å; W224-I236 HydrophobicContact CB-CG1 4.08Å; W224-I236 HydrophobicContact CB-CG2 4.02Å; W224-I236 HydrophobicContact CG-CG2 4.22Å; I228-I236 HydrophobicContact CD1-CD1 3.61Å; I228-I236 HydrophobicContact CD1-CG1 4.26Å; I228-I236 HydrophobicContact CG1-CD1 4.46Å; I236-L238 HydrophobicContact CG2-CD1 3.66Å; I236-L238 HydrophobicContact CG2-CD2 4.06Å; I236-L238 HydrophobicContact CG2-CG 3.73Å
237	D	74.6	Confident	62.7	Low	13 Å²	13	47.7 Å²	47.7	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.8	175	-73	-107.1	0	0	0	109.8	R149 I207 Y208 F209 Y239 N2043	R149-D237 IonicContact CZ-OD2 3.62Å; R149-D237 IonicContact NE-OD2 3.78Å; R149-D237 IonicContact NH2-OD2 2.74Å; R149-D237 PolarHBondContact NH2-OD2 3.03Å; I207-D237 PolarHBondContact O-N 2.87Å; I207-D237 VanDerWaalsContact O-N 3.1Å; Y208-D237 WeakPolarHBondContact CA-O 3.26Å; Y208-D237 HydrophobicContact CD1-CB 4.02Å; Y208-D237 HydrophobicContact CD2-CB 3.96Å; Y208-D237 HydrophobicContact CE1-CB 3.57Å; Y208-D237 HydrophobicContact CE2-CB 3.51Å; Y208-D237 VanDerWaalsContact CE2-OD2 3.23Å; Y208-D237 WeakPolarHBondContact CE2-OD2 3.48Å; Y208-D237 HydrophobicContact CG-CB 4.2Å; Y208-D237 PolarHBondContact OH-OD1 3.17Å; Y208-D237 PolarHBondContact OH-OD2 3.45Å; F209-D237 PolarHBondContact N-O 3Å; D237-Y239 HydrophobicContact CB-CE2 3.93Å; D237-N2043 PolarHBondContact OD1-ND2 3.43Å
238	L	78.2	Confident	61.5	Low	47 Å²	47	50.1 Å²	50.1	25%	0.246	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	104.6	-166.6	-56.3	171.4	0	0	0	111.2	F209 P219 W224 I236	F209-L238 HydrophobicContact CB-CD2 3.89Å; F209-L238 HydrophobicContact CD2-CD2 3.42Å; F209-L238 VanDerWaalsContact CD2-CD2 3.42Å; F209-L238 HydrophobicContact CE2-CD2 4.24Å; F209-L238 HydrophobicContact CG-CD2 3.92Å; P219-L238 HydrophobicContact CB-CB 4.34Å; P219-L238 VanDerWaalsContact O-CD1 3.31Å; P219-L238 WeakPolarHBondContact O-CD1 3.19Å; W224-L238 VanDerWaalsContact CD1-CD1 3.49Å; W224-L238 HydrophobicContact CG-CD1 4.47Å; I236-L238 HydrophobicContact CG2-CD1 3.66Å; I236-L238 HydrophobicContact CG2-CD2 4.06Å; I236-L238 HydrophobicContact CG2-CG 3.73Å
239	Y	71.6	Confident	60.6	Low	92 Å²	92	55.7 Å²	55.7	36%	0.361	30%	0.302	S	S	.	.			trans	-126.9	120.9	-179.5	-53.2	-84.3	0	0	0	111	Y208 F209 Y210 D211 D237 N2043	Y208-Y239 HydrophobicContact CE1-CE2 4.44Å; F209-Y239 PolarHBondContact O-N 2.83Å; Y210-Y239 CarbonylContact C-O 3.39Å; Y210-Y239 VanDerWaalsContact CA-O 3.3Å; Y210-Y239 WeakPolarHBondContact CA-O 3Å; Y210-Y239 AromaticContact CD2-CD2 3.79Å; Y210-Y239 HydrophobicContact CD2-CD2 3.79Å; Y210-Y239 HydrophobicContact CD2-CG 4.04Å; Y210-Y239 HydrophobicContact CE2-CD2 4.39Å; Y210-Y239 HydrophobicContact CE2-CG 4.42Å; D211-Y239 PolarHBondContact N-O 3.09Å; D211-Y239 VanDerWaalsContact N-O 3.14Å; D237-Y239 HydrophobicContact CB-CE2 3.93Å; Y239-N2043 PolarHBondContact OH-ND2 3.09Å
240	A	63.3	Low	60.5	Low	1 Å²	1	54 Å²	54	1%	0.008	29%	0.294	C	S	.	.	S	Bend	trans	-83	-22.8	177.2	0	0	0	0	0	114	N212 F220	N212-A240 CarbonylContact C-O 3.51Å; N212-A240 PolarHBondContact N-O 3.27Å; F220-A240 HydrophobicContact CE2-CB 3.78Å; F220-A240 HydrophobicContact CZ-CB 3.67Å
241	L	60.2	Low	60.4	Low	21 Å²	21	54.4 Å²	54.4	11%	0.11	29%	0.293	C	S	.	.	S	Bend	trans	-134.2	159.3	-177.1	-66.2	176.6	0	0	0	111.4	P213 W250	P213-L241 HydrophobicContact CB-CD2 3.74Å; L241-W250 HydrophobicContact CD1-CB 3.93Å; L241-W250 HydrophobicContact CD2-CB 4.47Å; L241-W250 HydrophobicContact CG-CB 4.31Å
242	H	52.6	Low	60.9	Low	79 Å²	79	56.2 Å²	56.2	37%	0.366	30%	0.295	S	S	.	.			trans	-68.4	153.6	166.4	-156.3	-77.8	0	0	0	111.1	Y210 N244 D245	Y210-H242 AromaticContact CE1-CD2 3.96Å; Y210-H242 AromaticContact CZ-CD2 3.8Å; Y210-H242 PolarHBondContact OH-CD2 2.99Å; Y210-H242 PolarHBondContact OH-NE2 2.95Å; Y210-H242 VanDerWaalsContact OH-NE2 3.1Å; H242-N244 PolarHBondContact O-N 3.14Å; H242-D245 PolarHBondContact O-N 3.03Å; H242-D245 VanDerWaalsContact O-N 3.16Å
243	S	49.1	Very low	62.1	Low	99 Å²	99	58.8 Å²	58.8	69%	0.692	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-7.9	-169.5	60.9	0	0	0	0	116.8
244	N	43.6	Very low	63.4	Low	142 Å²	142	55.1 Å²	55.1	76%	0.759	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-6.3	-173.4	-61.5	15.8	0	0	0	112.2	H242	H242-N244 PolarHBondContact O-N 3.14Å
245	D	48.7	Very low	63.7	Low	89 Å²	89	57 Å²	57	48%	0.476	30%	0.295	S	S	.	.	S	Bend	trans	-86	138.3	-178.7	-80	-69.6	0	0	0	111.6	H242 I247	H242-D245 PolarHBondContact O-N 3.03Å; H242-D245 VanDerWaalsContact O-N 3.16Å; D245-I247 PolarHBondContact O-N 3.36Å; D245-I247 VanDerWaalsContact O-N 3.11Å
246	N	50.8	Low	63.7	Low	107 Å²	107	58.5 Å²	58.5	57%	0.572	31%	0.305	S	S	*	.			trans	-68.6	111.9	-174.2	-174.6	-3.5	0	0	0	110.2	T248 L249	N246-T248 PolarHBondContact ND2-OG1 2.73Å; N246-T248 PolarHBondContact O-N 2.83Å; N246-T248 VanDerWaalsContact OD1-CB 3.23Å; N246-T248 WeakPolarHBondContact OD1-CB 3Å; N246-T248 PolarHBondContact OD1-N 3.16Å; N246-T248 PolarHBondContact OD1-OG1 2.62Å; N246-L249 PolarHBondContact O-N 2.77Å
247	I	61.6	Low	63.7	Low	36 Å²	36	60.7 Å²	60.7	19%	0.185	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-26.1	178.3	-171.1	169	0	0	0	113.4	D245 L249 W250 L251 M516 Y518	D245-I247 PolarHBondContact O-N 3.36Å; D245-I247 VanDerWaalsContact O-N 3.11Å; I247-L249 PolarHBondContact O-N 3.47Å; I247-L249 VanDerWaalsContact O-N 3.11Å; I247-W250 PolarHBondContact O-N 2.63Å; I247-W250 VanDerWaalsContact O-N 3.17Å; I247-L251 HydrophobicContact CG1-CD1 3.99Å; I247-L251 HydrophobicContact CG1-CG 4.09Å; I247-L251 HydrophobicContact CG2-CD1 4.22Å; I247-L251 WeakPolarHBondContact O-CG 3.27Å; I247-L251 PolarHBondContact O-N 2.89Å; I247-M516 HydrophobicContact CB-CE 4.44Å; I247-M516 HydrophobicContact CD1-CE 3.8Å; I247-Y518 HydrophobicContact CD1-CD1 4.08Å; I247-Y518 HydrophobicContact CD1-CE1 3.61Å; I247-Y518 HydrophobicContact CD1-CE2 4.37Å; I247-Y518 HydrophobicContact CG1-CE1 4.08Å
248	T	57.6	Low	63.7	Low	53 Å²	53	62.8 Å²	62.8	33%	0.325	32%	0.32	S	S	.	.	H	α-helix	trans	-46.1	-36.5	169.3	-51.7	0	0	0	0	113	N246 L251 E252	N246-T248 PolarHBondContact ND2-OG1 2.73Å; N246-T248 PolarHBondContact O-N 2.83Å; N246-T248 VanDerWaalsContact OD1-CB 3.23Å; N246-T248 WeakPolarHBondContact OD1-CB 3Å; N246-T248 PolarHBondContact OD1-N 3.16Å; N246-T248 PolarHBondContact OD1-OG1 2.62Å; T248-L251 PolarHBondContact O-N 2.82Å; T248-E252 HydrophobicContact CG2-CG 4.21Å; T248-E252 WeakPolarHBondContact O-CB 3.49Å; T248-E252 VanDerWaalsContact O-CG 3.28Å; T248-E252 WeakPolarHBondContact O-CG 3.46Å; T248-E252 PolarHBondContact O-N 3.14Å
249	L	62.1	Low	63.2	Low	118 Å²	118	63 Å²	63	62%	0.618	32%	0.322	S	S	*	.	H	α-helix	trans	-69.5	-43.2	-178.2	-148.7	86.4	0	0	0	112.9	N246 I247 Y253	N246-L249 PolarHBondContact O-N 2.77Å; I247-L249 PolarHBondContact O-N 3.47Å; I247-L249 VanDerWaalsContact O-N 3.11Å; L249-Y253 WeakPolarHBondContact O-CB 3.35Å; L249-Y253 PolarHBondContact O-N 2.9Å
250	W	72	Confident	62.8	Low	3 Å²	3	65.6 Å²	65.6	1%	0.011	34%	0.342	C	S	.	.	H	α-helix	trans	-69.8	-36.6	174.3	-177.9	99.7	0	0	0	110.7	L215 F220 L241 I247 Y253 C254 Y518 P519	L215-W250 PolarHBondContact O-NE1 3.39Å; L215-W250 VanDerWaalsContact O-NE1 3.13Å; F220-W250 HydrophobicContact CD2-CH2 4.09Å; F220-W250 AromaticContact CD2-CZ2 3.64Å; F220-W250 HydrophobicContact CD2-CZ2 3.64Å; F220-W250 AromaticContact CE2-CE2 3.95Å; F220-W250 HydrophobicContact CE2-CH2 4.2Å; F220-W250 AromaticContact CE2-CZ2 3.54Å; F220-W250 HydrophobicContact CE2-CZ2 3.54Å; L241-W250 HydrophobicContact CD1-CB 3.93Å; L241-W250 HydrophobicContact CD2-CB 4.47Å; L241-W250 HydrophobicContact CG-CB 4.31Å; I247-W250 PolarHBondContact O-N 2.63Å; I247-W250 VanDerWaalsContact O-N 3.17Å; W250-Y253 PolarHBondContact O-N 2.77Å; W250-C254 HydrophobicContact CD2-CB 4.32Å; W250-C254 HydrophobicContact CE3-CB 4.3Å; W250-C254 HydrophobicContact CH2-CB 4.13Å; W250-C254 HydrophobicContact CZ2-CB 4.16Å; W250-C254 HydrophobicContact CZ3-CB 4.18Å; W250-C254 WeakPolarHBondContact O-CB 3.31Å; W250-C254 PolarHBondContact O-N 2.95Å; W250-Y518 HydrophobicContact CD2-CD1 4.33Å; W250-Y518 HydrophobicContact CD2-CE1 4.35Å; W250-Y518 AromaticContact CE3-CD1 3.84Å; W250-Y518 HydrophobicContact CE3-CD1 3.84Å; W250-Y518 HydrophobicContact CE3-CE1 4.19Å; W250-Y518 HydrophobicContact CH2-CD1 4.05Å; W250-Y518 HydrophobicContact CZ2-CD1 4.48Å; W250-Y518 AromaticContact CZ3-CD1 3.71Å; W250-Y518 HydrophobicContact CZ3-CD1 3.71Å; W250-Y518 HydrophobicContact CZ3-CE1 4.5Å; W250-P519 HydrophobicContact CZ3-CG 4Å
251	L	65.7	Low	62.5	Low	40 Å²	40	72.3 Å²	72.3	21%	0.209	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-50.3	174.5	-68.6	167.8	0	0	0	111.2	I247 T248 Y253 Q255 P519	I247-L251 HydrophobicContact CG1-CD1 3.99Å; I247-L251 HydrophobicContact CG1-CG 4.09Å; I247-L251 HydrophobicContact CG2-CD1 4.22Å; I247-L251 WeakPolarHBondContact O-CG 3.27Å; I247-L251 PolarHBondContact O-N 2.89Å; T248-L251 PolarHBondContact O-N 2.82Å; L251-Y253 PolarHBondContact O-N 3.33Å; L251-Q255 WeakPolarHBondContact O-CA 3.21Å; L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 WeakPolarHBondContact O-CG 3.27Å; L251-Q255 PolarHBondContact O-N 3.35Å; L251-P519 VanDerWaalsContact CD2-CD 3.42Å; L251-P519 HydrophobicContact CD2-CG 3.75Å
252	E	65.2	Low	62.4	Low	90 Å²	90	75.1 Å²	75.1	42%	0.421	39%	0.391	S	S	.	.	H	α-helix	trans	-55.1	-50.9	174.7	-78.4	175.3	172.8	0	0	110.5	T248 C256	T248-E252 HydrophobicContact CG2-CG 4.21Å; T248-E252 WeakPolarHBondContact O-CB 3.49Å; T248-E252 VanDerWaalsContact O-CG 3.28Å; T248-E252 WeakPolarHBondContact O-CG 3.46Å; T248-E252 PolarHBondContact O-N 3.14Å; E252-C256 WeakPolarHBondContact O-CB 3.05Å; E252-C256 PolarHBondContact O-N 3.25Å; E252-C256 PolarHBondContact O-SG 3.1Å
253	Y	71.6	Confident	61.9	Low	69 Å²	69	79.5 Å²	79.5	27%	0.271	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-57.8	-178.8	-173.1	-94.6	0	0	0	113	H190 Q192 L249 W250 L251 K257	H190-Y253 AromaticContact NE2-CE2 3.69Å; H190-Y253 AromaticContact NE2-CZ 3.49Å; H190-Y253 PolarHBondContact NE2-OH 2.92Å; Q192-Y253 WeakPolarHBondContact CG-OH 3.35Å; Q192-Y253 PolarHBondContact NE2-OH 3.37Å; Q192-Y253 PolarHBondContact OE1-OH 2.75Å; L249-Y253 WeakPolarHBondContact O-CB 3.35Å; L249-Y253 PolarHBondContact O-N 2.9Å; W250-Y253 PolarHBondContact O-N 2.77Å; L251-Y253 PolarHBondContact O-N 3.33Å; Y253-K257 HydrophobicContact CE1-CD 4.22Å; Y253-K257 VanDerWaalsContact O-CB 3.29Å; Y253-K257 WeakPolarHBondContact O-CB 3.31Å; Y253-K257 PolarHBondContact O-N 2.81Å
254	C	76.2	Confident	61.2	Low	0 Å²	0	82.3 Å²	82.3	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-75.4	-34.1	-174.3	-63.7	0	0	0	0	113.2	C216 W250 Y258	C216-C254 VanDerWaalsContact CA-SG 3.57Å; C216-C254 HydrophobicContact CB-CB 3.89Å; C216-C254 WeakPolarHBondContact CB-SG 3.36Å; C216-C254 WeakPolarHBondContact SG-CB 3.29Å; C216-C254 CovalentContact SG-SG 2.04Å; C216-C254 PolarHBondContact SG-SG 3.47Å; W250-C254 HydrophobicContact CD2-CB 4.32Å; W250-C254 HydrophobicContact CE3-CB 4.3Å; W250-C254 HydrophobicContact CH2-CB 4.13Å; W250-C254 HydrophobicContact CZ2-CB 4.16Å; W250-C254 HydrophobicContact CZ3-CB 4.18Å; W250-C254 WeakPolarHBondContact O-CB 3.31Å; W250-C254 PolarHBondContact O-N 2.95Å; C254-Y258 PolarHBondContact O-N 2.89Å
255	Q	71.6	Confident	60.5	Low	50 Å²	50	81.6 Å²	81.6	23%	0.234	42%	0.416	C	S	.	.	H	α-helix	trans	-74.5	-33.5	175.3	-60.7	-172	-0.1	0	0	112.4	L251 L259 N260 K261 P519	L251-Q255 WeakPolarHBondContact O-CA 3.21Å; L251-Q255 WeakPolarHBondContact O-CB 3.36Å; L251-Q255 WeakPolarHBondContact O-CG 3.27Å; L251-Q255 PolarHBondContact O-N 3.35Å; Q255-L259 HydrophobicContact CG-CD1 4.29Å; Q255-L259 CarbonylContact O-C 3.34Å; Q255-L259 WeakPolarHBondContact O-CA 2.98Å; Q255-L259 WeakPolarHBondContact O-CB 3.35Å; Q255-L259 PolarHBondContact O-N 3.09Å; Q255-N260 PolarHBondContact O-N 3.15Å; Q255-K261 PolarHBondContact O-N 3.45Å; Q255-P519 HydrophobicContact CG-CG 4.14Å
256	C	68.7	Low	59.4	Low	40 Å²	40	83.6 Å²	83.6	27%	0.27	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-50.8	169.5	-74.7	0	0	0	0	110.5	E252 Y258 N260 C262	E252-C256 WeakPolarHBondContact O-CB 3.05Å; E252-C256 PolarHBondContact O-N 3.25Å; E252-C256 PolarHBondContact O-SG 3.1Å; C256-Y258 PolarHBondContact O-N 3.34Å; C256-N260 PolarHBondContact O-N 2.78Å; C256-N260 PolarHBondContact O-OD1 3.1Å; C256-C262 WeakPolarHBondContact CB-SG 3.35Å; C256-C262 VanDerWaalsContact SG-CA 3.51Å; C256-C262 WeakPolarHBondContact SG-CB 3.01Å; C256-C262 CovalentContact SG-SG 2.04Å; C256-C262 PolarHBondContact SG-SG 2.88Å
257	K	73.2	Confident	58.2	Low	85 Å²	85	86 Å²	86	37%	0.37	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-37.2	-174.4	-172.1	175.1	178	-169.1	0	114.3	Y253	Y253-K257 HydrophobicContact CE1-CD 4.22Å; Y253-K257 VanDerWaalsContact O-CB 3.29Å; Y253-K257 WeakPolarHBondContact O-CB 3.31Å; Y253-K257 PolarHBondContact O-N 2.81Å
258	Y	74.1	Confident	56.6	Low	57 Å²	57	89.5 Å²	89.5	22%	0.224	46%	0.464	C	S	.	.	H	α-helix	trans	-120.9	-9.8	-171	-62.3	-69.5	0	0	0	115.7	C216 Y217 C254 C256 L521	C216-Y258 HydrophobicContact CB-CD2 4.05Å; C216-Y258 HydrophobicContact CB-CE2 3.69Å; Y217-Y258 HydrophobicContact CD2-CE2 4.22Å; Y217-Y258 AromaticContact CE2-CD1 3.76Å; Y217-Y258 HydrophobicContact CE2-CD1 3.76Å; Y217-Y258 AromaticContact CE2-CD2 3.82Å; Y217-Y258 HydrophobicContact CE2-CD2 3.82Å; Y217-Y258 AromaticContact CE2-CE1 3.71Å; Y217-Y258 HydrophobicContact CE2-CE1 3.71Å; Y217-Y258 AromaticContact CE2-CE2 3.78Å; Y217-Y258 HydrophobicContact CE2-CE2 3.78Å; Y217-Y258 AromaticContact CE2-CG 3.81Å; Y217-Y258 HydrophobicContact CE2-CG 3.81Å; Y217-Y258 AromaticContact CE2-CZ 3.72Å; C254-Y258 PolarHBondContact O-N 2.89Å; C256-Y258 PolarHBondContact O-N 3.34Å; Y258-L521 HydrophobicContact CD2-CD2 4.49Å
259	L	68.4	Low	55.1	Low	52 Å²	52	94.4 Å²	94.4	27%	0.272	49%	0.489	S	S	.	.	H	α-helix	trans	-125.3	-5.1	179.5	-62.3	174.3	0	0	0	113.8	Q255 K261 L521 P522	Q255-L259 HydrophobicContact CG-CD1 4.29Å; Q255-L259 CarbonylContact O-C 3.34Å; Q255-L259 WeakPolarHBondContact O-CA 2.98Å; Q255-L259 WeakPolarHBondContact O-CB 3.35Å; Q255-L259 PolarHBondContact O-N 3.09Å; L259-K261 HydrophobicContact CB-CD 4.46Å; L259-K261 HydrophobicContact CB-CG 4.41Å; L259-K261 PolarHBondContact O-N 3.22Å; L259-L521 HydrophobicContact CD1-CD2 4.42Å; L259-L521 HydrophobicContact CG-CD2 4.34Å; L259-P522 HydrophobicContact CD2-CG 4.4Å
260	N	63.4	Low	53.5	Low	146 Å²	146	98 Å²	98	78%	0.781	50%	0.503	S	S	*	.			trans	52.5	31.6	-175.2	-66.5	-25	0	0	0	114.3	Q255 C256	Q255-N260 PolarHBondContact O-N 3.15Å; C256-N260 PolarHBondContact O-N 2.78Å; C256-N260 PolarHBondContact O-OD1 3.1Å
261	K	55.1	Low	51.3	Low	142 Å²	142	109.6 Å²	109.6	62%	0.617	55%	0.546	S	S	*	.			trans	-107.6	50	-175.1	-75.9	-178	-178.8	-179.8	0	114	Q255 L259 M263	Q255-K261 PolarHBondContact O-N 3.45Å; L259-K261 HydrophobicContact CB-CD 4.46Å; L259-K261 HydrophobicContact CB-CG 4.41Å; L259-K261 PolarHBondContact O-N 3.22Å; K261-M263 PolarHBondContact O-N 3.48Å
262	C	59.9	Low	49.5	Very low	80 Å²	80	112.9 Å²	112.9	54%	0.541	57%	0.573	S	S	.	*			trans	-70	123.1	174.2	-50	0	0	0	0	110.9	C256	C256-C262 WeakPolarHBondContact CB-SG 3.35Å; C256-C262 VanDerWaalsContact SG-CA 3.51Å; C256-C262 WeakPolarHBondContact SG-CB 3.01Å; C256-C262 CovalentContact SG-SG 2.04Å; C256-C262 PolarHBondContact SG-SG 2.88Å
263	M	41.5	Very low	47.8	Very low	171 Å²	171	117.2 Å²	117.2	84%	0.842	59%	0.593	S	S	*	*			trans	-83.2	141.1	175.3	-88.6	-158.5	-71.7	0	0	112.6	K261 I265	K261-M263 PolarHBondContact O-N 3.48Å; M263-I265 PolarHBondContact O-N 2.69Å
264	N	34.1	Very low	45.6	Very low	159 Å²	159	122.6 Å²	122.6	85%	0.85	62%	0.62	S	S	*	*			trans	-76.6	82.3	-179.5	-72.9	-50.7	0	0	0	112.4	M266	N264-M266 PolarHBondContact O-N 2.81Å; N264-M266 VanDerWaalsContact O-N 3.17Å
265	I	29.2	Very low	43.5	Very low	126 Å²	126	127.7 Å²	127.7	65%	0.646	65%	0.654	S	S	*	*			trans	-87.4	61.9	166.1	-47.7	-176.9	0	0	0	109.8	M263	M263-I265 PolarHBondContact O-N 2.69Å
266	M	25.5	Very low	41.3	Very low	132 Å²	132	130.8 Å²	130.8	65%	0.65	68%	0.68	S	S	*	*			trans	-144.8	135.4	173.5	-79.5	-72.2	-158.4	0	0	110.4	N264	N264-M266 PolarHBondContact O-N 2.81Å; N264-M266 VanDerWaalsContact O-N 3.17Å
267	N	26.5	Very low	39.4	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	70%	0.699	S	S	*	*			trans	71.2	110.1	165	-57.4	-29.7	0	0	0	119.7
268	S	27.4	Very low	37.2	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	72%	0.72	S	S	*	*			trans	-139.6	85.4	142.1	65.6	0	0	0	0	111.2
269	N	26.5	Very low	35	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	75%	0.746	S	S	*	*			trans	70.4	150.4	163.3	-47.9	-25.7	0	0	0	116.7
270	E	27.6	Very low	32.8	Very low	195 Å²	195	144.8 Å²	144.8	91%	0.911	77%	0.771	S	S	*	*			cis	-117.7	179.2	5.4	-72.8	-175.5	133.5	0	0	113.4
271	R	26.1	Very low	31.1	Very low	246 Å²	246	142.9 Å²	142.9	93%	0.928	77%	0.77	S	S	*	*			trans	-124.2	145.1	-178.5	-82.1	-179.5	169.2	179.6	-4	112.5
272	S	28.6	Very low	29.8	Very low	109 Å²	109	144.7 Å²	144.7	76%	0.762	78%	0.78	S	S	*	*			trans	-150.2	117.6	140.1	41.9	0	0	0	0	106.5
273	E	28.2	Very low	28.3	Very low	180 Å²	180	148 Å²	148	84%	0.841	79%	0.791	S	S	*	*				70.8	123.7	79.4	-72.2	178.4	-171.3	0	0	112.2
274	E	26.1	Very low	27.3	Very low	182 Å²	182	147.7 Å²	147.7	85%	0.85	79%	0.791	S	S	*	*			cis	-147.6	171.4	4.7	-104	-137	118	0	0	113.2
275	P	31.1	Very low	27.1	Very low	108 Å²	108	148.9 Å²	148.9	70%	0.701	79%	0.792	S	S	*	*			trans	-121.8	-177	-160.3	44.3	-33.6	0	0	0	116.4
276	S	26.8	Very low	26.9	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	79%	0.793	S	S	*	*			trans	-143.2	143.8	153	58.2	0	0	0	0	110.6
277	S	29.1	Very low	26.8	Very low	94 Å²	94	149.4 Å²	149.4	66%	0.657	80%	0.798	S	S	*	*			cis	-164.7	134	-15.8	51.2	0	0	0	0	112.1
278	I	27.1	Very low	26.7	Very low	158 Å²	158	148.5 Å²	148.5	81%	0.81	79%	0.788	S	S	*	*			trans	71.3	136.8	149.8	-63.2	164.2	0	0	0	115.9
279	N	26.7	Very low	26.6	Very low	143 Å²	143	150.2 Å²	150.2	77%	0.765	79%	0.788	S	S	*	*			cis	-137.5	166.6	11.8	-151.7	-6	0	0	0	113.4
280	V	21.9	Very low	26.2	Very low	133 Å²	133	152.5 Å²	152.5	81%	0.806	79%	0.786	S	S	*	*			trans	-135.7	125.6	178.3	174.2	0	0	0	0	112.1
281	S	27.6	Very low	26.1	Very low	107 Å²	107	149.1 Å²	149.1	75%	0.748	77%	0.774	S	S	*	*			trans	-166.4	147.9	151.3	52.2	0	0	0	0	108.2
282	H	28.4	Very low	26.1	Very low	179 Å²	179	146 Å²	146	83%	0.829	77%	0.77	S	S	*	*	S	Bend	cis	-146.5	175.7	10.9	-156.8	-111.6	0	0	0	111.5
283	I	27.8	Very low	25.9	Very low	151 Å²	151	149.5 Å²	149.5	77%	0.774	78%	0.779	S	S	*	*			trans	76.9	96.1	173.3	-49	-178.4	0	0	0	116.8
284	L	22.1	Very low	25.8	Very low	164 Å²	164	149 Å²	149	86%	0.859	78%	0.781	S	S	*	*			trans	-97.2	139.4	144.8	-80.3	157.6	0	0	0	108.4
285	Q	28.9	Very low	25.8	Very low	184 Å²	184	148.8 Å²	148.8	86%	0.86	78%	0.778	S	S	*	*			trans	166.2	158.8	148.3	-96.3	165.7	25.8	0	0	111.2
286	S	24.2	Very low	25.7	Very low	96 Å²	96	149.6 Å²	149.6	67%	0.671	78%	0.776	S	S	*	*				-172.8	139.3	-74.4	50.8	0	0	0	0	112.5
287	K	23.6	Very low	25.6	Very low	173 Å²	173	149.5 Å²	149.5	75%	0.752	77%	0.771	S	S	*	*			trans	73.9	145	143.4	-86.3	-180	159.4	-156.7	0	123.1
288	H	25.4	Very low	25.6	Very low	138 Å²	138	152.1 Å²	152.1	64%	0.639	78%	0.777	S	S	*	*			trans	67.4	120.6	149.3	-66.7	-43.6	0	0	0	118.5
289	I	24.1	Very low	25.6	Very low	145 Å²	145	151.7 Å²	151.7	74%	0.744	78%	0.777	S	S	*	*				93.4	111.5	61.1	-79.8	-173.7	0	0	0	112.3
290	Y	19.7	Very low	25.4	Very low	204 Å²	204	150.9 Å²	150.9	80%	0.8	77%	0.768	S	S	*	*			trans	42.8	124.8	138	-134.6	-108.1	0	0	0	120.7
291	N	24.7	Very low	25.8	Very low	124 Å²	124	151.9 Å²	151.9	66%	0.663	77%	0.768	S	S	*	*			trans	95.3	130.4	151.1	-89.5	10.3	0	0	0	123.1
292	E	25.5	Very low	25.7	Very low	181 Å²	181	154.2 Å²	154.2	85%	0.846	77%	0.765	S	S	*	*			trans	70.1	119.7	154.5	-58.8	-155.4	126.8	0	0	122.2
293	L	24.3	Very low	25.5	Very low	181 Å²	181	149 Å²	149	95%	0.948	76%	0.76	S	S	*	*			trans	-79	112.5	168.2	-77	155.8	0	0	0	110.2
294	L	27.4	Very low	25.5	Very low	169 Å²	169	153 Å²	153	89%	0.885	77%	0.765	S	S	*	*			trans	-121	112.3	161.6	-111.3	166.3	0	0	0	111.2
295	K	26.5	Very low	25.6	Very low	179 Å²	179	152.2 Å²	152.2	78%	0.778	76%	0.762	S	S	*	*			trans	-47.6	155.1	161	-80.3	178.9	176.9	-177.7	0	111.1
296	N	28.8	Very low	25.5	Very low	125 Å²	125	151.1 Å²	151.1	67%	0.668	76%	0.76	S	S	*	*			cis	-163	163	30.6	-125.2	4.1	0	0	0	110.7
297	T	24.9	Very low	25.5	Very low	111 Å²	111	154.7 Å²	154.7	68%	0.681	77%	0.766	S	S	*	*			trans	46.8	138.8	150.2	68.1	0	0	0	0	119.7
298	D	27.7	Very low	25.6	Very low	149 Å²	149	155.1 Å²	155.1	80%	0.797	77%	0.769	S	S	*	*				-146.1	174	60.8	-75.9	-16.6	0	0	0	115.2
299	D	27.3	Very low	25.5	Very low	149 Å²	149	160 Å²	160	80%	0.797	78%	0.781	S	S	*	*			trans	-57.1	147.6	-175.7	-65.6	-47.1	0	0	0	115.3
300	E	23.8	Very low	25.6	Very low	126 Å²	126	159 Å²	159	59%	0.589	78%	0.777	S	S	*	*				74.7	112.2	55.5	-145.8	-113.1	-144.2	0	0	114.3	K302	E300-K302 WeakPolarHBondContact OE1-CE 3.42Å; E300-K302 IonicContact OE1-NZ 3.24Å; E300-K302 PolarHBondContact OE1-NZ 3.37Å; E300-K302 VanDerWaalsContact OE2-CE 3.27Å; E300-K302 WeakPolarHBondContact OE2-CE 3.45Å; E300-K302 IonicContact OE2-NZ 2.93Å; E300-K302 PolarHBondContact OE2-NZ 2.77Å
301	L	29.6	Very low	25.9	Very low	154 Å²	154	156 Å²	156	81%	0.806	77%	0.773	S	S	*	*			trans	172.8	107.7	160.5	-95.7	164.4	0	0	0	107.4
302	K	25.5	Very low	26	Very low	156 Å²	156	157.6 Å²	157.6	68%	0.678	78%	0.777	S	S	*	*				51	120.2	78.7	-60.1	161.1	-178.1	149.7	0	112.4	E300	E300-K302 WeakPolarHBondContact OE1-CE 3.42Å; E300-K302 IonicContact OE1-NZ 3.24Å; E300-K302 PolarHBondContact OE1-NZ 3.37Å; E300-K302 VanDerWaalsContact OE2-CE 3.27Å; E300-K302 WeakPolarHBondContact OE2-CE 3.45Å; E300-K302 IonicContact OE2-NZ 2.93Å; E300-K302 PolarHBondContact OE2-NZ 2.77Å
303	G	24.3	Very low	26.2	Very low	71 Å²	71	155 Å²	155	73%	0.732	77%	0.767	S	S	*	*			cis	129.8	127.4	3.8	0	0	0	0	0	112.4
304	R	26.7	Very low	26.4	Very low	234 Å²	234	152.7 Å²	152.7	88%	0.883	76%	0.756	S	S	*	*			trans	-171.9	125.4	165.4	-101.2	168.4	-131.8	-150.7	3.6	107
305	N	24.5	Very low	26.3	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	74%	0.739	S	S	*	*				58.9	111.9	66.8	-71.3	-25.2	0	0	0	114.4
306	I	28.2	Very low	26.2	Very low	161 Å²	161	144.9 Å²	144.9	83%	0.826	73%	0.727	S	S	*	*				-166.9	148	113.5	-95.4	155	0	0	0	112
307	Q	22.2	Very low	26	Very low	171 Å²	171	143.6 Å²	143.6	80%	0.799	72%	0.72	S	S	*	*			trans	-61.8	148.3	-170.6	-54.4	147.5	-25.7	0	0	116.8
308	K	26.5	Very low	26.1	Very low	183 Å²	183	144.1 Å²	144.1	80%	0.796	72%	0.715	S	S	*	*				163.8	133.6	125.7	-89.2	172	-178.4	-167	0	107.9
309	R	22.5	Very low	26.1	Very low	241 Å²	241	141.8 Å²	141.8	91%	0.909	71%	0.711	S	S	*	*			cis	72.6	79.2	16.6	-139.4	-173.9	-152.9	172.9	8.9	115.3
310	D	27.5	Very low	25.9	Very low	122 Å²	122	142.2 Å²	142.2	65%	0.652	71%	0.711	S	S	*	*			trans	-139.3	138.2	151.3	-82.4	-49.4	0	0	0	104.8
311	I	26.3	Very low	25.8	Very low	141 Å²	141	141.5 Å²	141.5	72%	0.723	72%	0.715	S	S	*	*				67.3	119.5	65.2	-65.8	177.3	0	0	0	109.2
312	H	25.9	Very low	25.6	Very low	158 Å²	158	140 Å²	140	73%	0.731	71%	0.708	S	S	*	*			cis	-163.8	-160.4	3.7	-139.5	-34.8	0	0	0	108.6
313	I	29.1	Very low	25.5	Very low	126 Å²	126	136.9 Å²	136.9	65%	0.646	71%	0.711	S	S	*	*			trans	38.4	124.3	138.7	-67.6	162.1	0	0	0	117.7
314	N	29	Very low	26	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	71%	0.713	S	S	*	*			cis	-155.9	135.8	6.3	-102.5	8.9	0	0	0	105.7
315	S	24.7	Very low	26.3	Very low	74 Å²	74	134.3 Å²	134.3	52%	0.517	70%	0.703	S	S	.	*				64.4	130.1	70.3	85.9	0	0	0	0	115.4
316	M	25	Very low	26.7	Very low	110 Å²	110	134.1 Å²	134.1	54%	0.542	70%	0.697	S	S	.	*			trans	81.5	139.1	134.1	-81.7	167.3	161	0	0	119.7	L434	M316-L434 HydrophobicContact CE-CD1 3.4Å; M316-L434 VanDerWaalsContact CE-CD1 3.4Å; M316-L434 HydrophobicContact CG-CD1 4.14Å
317	N	25.1	Very low	26.7	Very low	97 Å²	97	134.3 Å²	134.3	52%	0.519	69%	0.692	S	S	.	*			trans	80.6	146.7	131	-76.2	28.6	0	0	0	118.7	L434	N317-L434 WeakPolarHBondContact OD1-CD2 3.36Å
318	Q	27.2	Very low	27.1	Very low	122 Å²	122	132.6 Å²	132.6	57%	0.57	68%	0.684	S	S	*	*			cis	-156.3	159.1	-17.6	-163.1	69.7	-21	0	0	107.7
319	S	27.1	Very low	27.2	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	68%	0.678	S	S	*	*			trans	-55.8	139.5	158.1	-45.4	0	0	0	0	111.1
320	I	23.2	Very low	27.5	Very low	157 Å²	157	125.7 Å²	125.7	81%	0.805	67%	0.669	S	S	*	*				173.4	132.7	124	-92.4	163.2	0	0	0	110
321	V	22.7	Very low	27.6	Very low	111 Å²	111	127.1 Å²	127.1	67%	0.673	68%	0.677	S	S	*	*			trans	28	103.1	148.9	-175.1	0	0	0	0	117
322	D	25	Very low	27.7	Very low	122 Å²	122	127 Å²	127	65%	0.652	68%	0.677	S	S	*	*				41.5	127.3	119.5	-43.6	-53.8	0	0	0	119.3
323	A	23.7	Very low	27.8	Very low	91 Å²	91	126 Å²	126	75%	0.752	68%	0.677	S	S	*	*				-165.3	175.6	84.4	0	0	0	0	0	108.6
324	V	33.6	Very low	27.6	Very low	126 Å²	126	125 Å²	125	76%	0.764	68%	0.677	S	S	*	*	S	Bend	cis	-151.8	100	19.1	179.4	0	0	0	0	103.7
325	N	33.9	Very low	27.5	Very low	125 Å²	125	124.8 Å²	124.8	67%	0.668	68%	0.68	S	S	*	*	S	Bend		-174	163.5	51.4	-85.4	-2.4	0	0	0	107.5
326	E	31.6	Very low	27.5	Very low	144 Å²	144	128.6 Å²	128.6	67%	0.673	70%	0.695	S	S	*	*			cis	-164.1	140.2	-5.1	-112.5	172.4	122.9	0	0	109.5
327	F	29.1	Very low	27.5	Very low	164 Å²	164	130.7 Å²	130.7	72%	0.719	71%	0.708	S	S	*	*			trans	51.8	115.4	164.4	-66.9	-91.9	0	0	0	119.5
328	H	29.8	Very low	27.4	Very low	135 Å²	135	131 Å²	131	63%	0.625	72%	0.717	S	S	*	*				78.4	141.7	67.7	-72.8	-24.4	0	0	0	114.4
329	Q	28.7	Very low	27.2	Very low	145 Å²	145	129 Å²	129	68%	0.678	72%	0.717	S	S	*	*			cis	-155.2	163.1	12.7	-131.7	-177.3	-72.6	0	0	114.5
330	D	29.4	Very low	27	Very low	135 Å²	135	130.7 Å²	130.7	72%	0.722	72%	0.718	S	S	*	*			trans	74.7	124.7	155.3	-56.7	-23.3	0	0	0	123.3
331	D	30	Very low	26.9	Very low	151 Å²	151	131 Å²	131	81%	0.807	72%	0.716	S	S	*	*			trans	-85	166.3	176.5	-69	-74.6	0	0	0	113.1
332	L	28	Very low	27.2	Very low	138 Å²	138	134.3 Å²	134.3	72%	0.723	72%	0.724	S	S	*	*			cis	77.5	102.8	38.3	-98.7	176.1	0	0	0	116.8	T334	L332-T334 HydrophobicContact CD2-CG2 4.49Å
333	N	27.6	Very low	27.2	Very low	139 Å²	139	134 Å²	134	74%	0.743	73%	0.727	S	S	*	*			trans	-169.8	147.3	151	-115.7	-94.5	0	0	0	109.4
334	T	25.3	Very low	27.7	Very low	105 Å²	105	136.1 Å²	136.1	64%	0.644	73%	0.731	S	S	*	*			cis	91.7	71.3	-3.1	79.5	0	0	0	0	122	L332	L332-T334 HydrophobicContact CD2-CG2 4.49Å
335	T	27.1	Very low	27.2	Very low	128 Å²	128	138.9 Å²	138.9	79%	0.785	74%	0.735	S	S	*	*			trans	-158.9	144.8	137.5	16.6	0	0	0	0	110.7
336	N	24.7	Very low	27.2	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	74%	0.737	S	S	*	*			cis	91	150.6	25.3	-109.5	-8.1	0	0	0	117.5
337	L	25.4	Very low	26.9	Very low	155 Å²	155	138.3 Å²	138.3	81%	0.812	74%	0.74	S	S	*	*			trans	92	168.8	160.3	-75.3	159.6	0	0	0	121.1
338	S	21.5	Very low	26.5	Very low	103 Å²	103	133 Å²	133	72%	0.72	72%	0.722	S	S	*	*			trans	-138.3	-150.5	-140.7	57.9	0	0	0	0	113.2
339	S	23.2	Very low	26.2	Very low	81 Å²	81	129.9 Å²	129.9	57%	0.566	71%	0.708	S	S	*	*			trans	-63.6	172.6	-172.8	53.9	0	0	0	0	116.2
340	D	22.8	Very low	25.9	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	69%	0.692	S	S	*	*			trans	72	142.7	161.1	-43.7	-47.9	0	0	0	114.3
341	E	22.8	Very low	25.7	Very low	164 Å²	164	125.1 Å²	125.1	77%	0.766	69%	0.686	S	S	*	*			cis	-178.2	115.4	-7.8	-112.9	-166.6	150.2	0	0	102.8
342	Q	27.2	Very low	25.4	Very low	179 Å²	179	123.1 Å²	123.1	84%	0.836	68%	0.675	S	S	*	*			trans	174	101.7	148.4	-98	149.3	85.8	0	0	109.6
343	T	26.8	Very low	25.5	Very low	117 Å²	117	122.4 Å²	122.4	72%	0.718	67%	0.671	S	S	*	*				80.9	156.3	91.8	55.7	0	0	0	0	114.7
344	T	32.3	Very low	25.5	Very low	135 Å²	135	120.8 Å²	120.8	83%	0.828	66%	0.662	S	S	*	*			trans	62.3	86.5	175.8	48.5	0	0	0	0	117.4
345	H	25	Very low	25.9	Very low	184 Å²	184	120.5 Å²	120.5	85%	0.852	65%	0.652	S	S	*	*			trans	-53.6	172.4	141.4	-60.8	-88.5	0	0	0	111.4
346	P	33.9	Very low	25.7	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	65%	0.651	S	S	*	*			cis	-127.9	158	-45.5	35.9	-23.2	0	0	0	110.9
347	M	23.5	Very low	26.1	Very low	147 Å²	147	119.5 Å²	119.5	72%	0.724	65%	0.648	S	S	*	*			trans	179.2	-157.9	160.3	-101.5	165	81.9	0	0	112.4	P424	M347-P424 WeakPolarHBondContact CB-O 3.02Å; M347-P424 HydrophobicContact CE-CB 3.88Å; M347-P424 HydrophobicContact CE-CG 3.85Å; M347-P424 WeakPolarHBondContact CE-O 3.27Å; M347-P424 VanDerWaalsContact CG-O 3.23Å; M347-P424 WeakPolarHBondContact CG-O 3.33Å
348	S	22.6	Very low	26.2	Very low	51 Å²	51	119.3 Å²	119.3	36%	0.357	65%	0.648	S	S	.	*			trans	-173.3	-154	-144.4	39.2	0	0	0	0	115.3	T423 P424 F425	S348-T423 WeakPolarHBondContact OG-CA 3.27Å; S348-T423 WeakPolarHBondContact OG-CB 3.25Å; S348-T423 WeakPolarHBondContact OG-CG2 3.48Å; S348-P424 VanDerWaalsContact C-C 3.45Å; S348-P424 CarbonylContact C-O 3.52Å; S348-P424 VanDerWaalsContact C-O 3.31Å; S348-P424 VanDerWaalsContact CA-O 3.26Å; S348-P424 WeakPolarHBondContact CA-O 3.41Å; S348-P424 WeakPolarHBondContact CB-O 3.25Å; S348-P424 PolarHBondContact N-O 2.86Å; S348-P424 CarbonylContact O-C 3.15Å; S348-P424 PolarHBondContact OG-O 2.99Å; S348-F425 CarbonylContact O-C 3.39Å; S348-F425 WeakPolarHBondContact O-CA 3.23Å; S348-F425 PolarHBondContact O-N 2.85Å; S348-F425 VanDerWaalsContact O-N 3.16Å
349	Q	21.6	Very low	27	Very low	70 Å²	70	119.2 Å²	119.2	33%	0.327	65%	0.645	S	S	.	*				-112.3	-111.8	50.5	-159.1	167.9	-66.8	0	0	116.3	T423 F425	Q349-T423 VanDerWaalsContact CG-C 3.46Å; Q349-T423 VanDerWaalsContact CG-O 3.27Å; Q349-T423 WeakPolarHBondContact CG-O 3.41Å; Q349-T423 WeakPolarHBondContact CG-OG1 3.06Å; Q349-T423 WeakPolarHBondContact O-CB 3.47Å; Q349-T423 VanDerWaalsContact O-CG2 3.3Å; Q349-T423 WeakPolarHBondContact O-CG2 3.32Å; Q349-T423 PolarHBondContact O-OG1 2.04Å; Q349-T423 PolarHBondContact OE1-O 2.84Å; Q349-F425 HydrophobicContact CB-CB 3.78Å; Q349-F425 HydrophobicContact CB-CD1 3.42Å; Q349-F425 VanDerWaalsContact CB-CD1 3.42Å; Q349-F425 HydrophobicContact CB-CE1 4.2Å; Q349-F425 HydrophobicContact CB-CG 3.7Å; Q349-F425 HydrophobicContact CG-CB 4.43Å; Q349-F425 HydrophobicContact CG-CD1 4.42Å; Q349-F425 HydrophobicContact CG-CG 4.38Å
350	T	22.4	Very low	27	Very low	55 Å²	55	122.6 Å²	122.6	34%	0.337	66%	0.656	S	S	.	*			cis	41.8	160	12.3	104.4	0	0	0	0	114.8
351	E	25.7	Very low	27.1	Very low	125 Å²	125	122.9 Å²	122.9	58%	0.584	66%	0.657	S	S	*	*			cis	-77.8	153.9	-0.4	-72.5	-164.7	127.7	0	0	111.7	F425	E351-F425 HydrophobicContact CG-CE1 3.91Å; E351-F425 HydrophobicContact CG-CZ 3.75Å
352	N	23.7	Very low	27.2	Very low	110 Å²	110	119.2 Å²	119.2	59%	0.588	65%	0.65	S	S	*	*				40.8	125.8	69.6	-48.7	-32.9	0	0	0	109
353	I	30.9	Very low	27.1	Very low	123 Å²	123	117 Å²	117	63%	0.631	64%	0.644	S	S	*	*				-158.6	131.1	74.3	-91.1	159.7	0	0	0	107.3
354	N	27.5	Very low	27	Very low	104 Å²	104	119.1 Å²	119.1	56%	0.556	65%	0.646	S	S	*	*			trans	26.7	129.7	133.7	-31.8	-25.5	0	0	0	116.1
355	K	32.9	Very low	26.8	Very low	99 Å²	99	119.3 Å²	119.3	43%	0.43	64%	0.64	S	S	.	*			cis	-140.2	165.4	21.8	-71.8	96	-170	168.9	0	108.7	D404 N405	K355-D404 WeakPolarHBondContact CE-OD1 3.4Å; K355-D404 IonicContact NZ-OD1 3.64Å; K355-D404 PolarHBondContact NZ-OD1 3.19Å; K355-D404 IonicContact NZ-OD2 3.85Å; K355-D404 PolarHBondContact NZ-OD2 3.39Å; K355-N405 WeakPolarHBondContact CE-OD1 3.07Å; K355-N405 PolarHBondContact NZ-OD1 3.49Å
356	D	24.2	Very low	26.7	Very low	144 Å²	144	118.9 Å²	118.9	77%	0.77	64%	0.638	S	S	*	*				45.9	147.9	62.6	-50.9	-47.8	0	0	0	114.7
357	P	33.3	Very low	26.4	Very low	118 Å²	118	117.6 Å²	117.6	77%	0.766	63%	0.632	S	S	*	*				-131.3	-164.2	-55.5	38.7	-23.8	0	0	0	112
358	D	27.1	Very low	26.6	Very low	150 Å²	150	117.5 Å²	117.5	80%	0.802	64%	0.635	S	S	*	*			trans	-55.8	173.5	167.9	-64.5	-71.9	0	0	0	114.5
359	P	38.5	Very low	26.9	Very low	102 Å²	102	119.9 Å²	119.9	66%	0.662	65%	0.651	S	S	*	*				-136.6	-178.8	-50.6	38.5	-22.4	0	0	0	111.7
360	L	22.6	Very low	27.1	Very low	152 Å²	152	124.1 Å²	124.1	80%	0.796	68%	0.675	S	S	*	*			trans	149.1	118.3	139.6	-81.6	159.3	0	0	0	116
361	N	25.2	Very low	27.3	Very low	142 Å²	142	126.4 Å²	126.4	76%	0.759	69%	0.693	S	S	*	*				61.6	131	121.2	-136.6	1.2	0	0	0	123.8
362	S	25.2	Very low	27.5	Very low	87 Å²	87	126.6 Å²	126.6	61%	0.608	70%	0.699	S	S	*	*			trans	106.1	151.8	132.2	79.9	0	0	0	0	121.9
363	N	25.2	Very low	27.9	Very low	133 Å²	133	127.1 Å²	127.1	71%	0.711	70%	0.701	S	S	*	*			trans	80.7	148.5	168.7	-56.7	-35.7	0	0	0	118.6
364	Q	23.9	Very low	27.9	Very low	161 Å²	161	126.3 Å²	126.3	75%	0.752	70%	0.698	S	S	*	*			cis	-172.3	179.9	-37.2	-120.4	-177	18.8	0	0	109.2
365	I	27.4	Very low	27.9	Very low	139 Å²	139	129.1 Å²	129.1	71%	0.713	71%	0.708	S	S	*	*			trans	72.7	112.3	168.1	-63.6	162.7	0	0	0	114.4
366	Q	23.4	Very low	27.8	Very low	174 Å²	174	130.3 Å²	130.3	81%	0.813	72%	0.719	S	S	*	*				65.4	146.3	75.7	-69.1	-179.7	-5.2	0	0	115.3
367	S	27.6	Very low	28	Very low	84 Å²	84	128.5 Å²	128.5	59%	0.587	71%	0.713	S	S	*	*			cis	-173.1	178.9	-16.1	56.4	0	0	0	0	110.1
368	N	27.1	Very low	27.8	Very low	145 Å²	145	129.2 Å²	129.2	78%	0.775	71%	0.71	S	S	*	*			trans	72.2	158.4	166	-59.9	-23.4	0	0	0	117.2
369	S	28.8	Very low	27.7	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	70%	0.696	S	S	*	*			cis	-179.8	160.2	-10.4	45.3	0	0	0	0	109.3
370	L	26.3	Very low	27.2	Very low	158 Å²	158	130.7 Å²	130.7	83%	0.827	70%	0.697	S	S	*	*			cis	-173.5	-179.4	-27.5	-113.3	169.4	0	0	0	108.6
371	S	26.5	Very low	27.4	Very low	103 Å²	103	129.1 Å²	129.1	72%	0.72	69%	0.686	S	S	*	*			trans	71.6	148.1	168.4	75.8	0	0	0	0	118.2
372	N	30.8	Very low	27.4	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	68%	0.684	S	S	*	*			cis	-154.1	-172.6	-12.9	-119.5	50.1	0	0	0	107.8	N374	N372-N374 PolarHBondContact ND2-OD1 2.8Å
373	N	31.2	Very low	27.4	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	70%	0.698	S	S	*	*			cis	-143.9	157.5	17.3	-124.5	30.7	0	0	0	107.2
374	N	30.2	Very low	27.4	Very low	106 Å²	106	132.3 Å²	132.3	57%	0.567	70%	0.696	S	S	*	*				65	140	74.3	-57.5	37.7	0	0	0	115.1	N372	N372-N374 PolarHBondContact ND2-OD1 2.8Å
375	E	29	Very low	27.6	Very low	162 Å²	162	133.3 Å²	133.3	76%	0.757	70%	0.701	S	S	*	*			cis	-157.3	159.4	10.8	-109.2	138.7	-130.9	0	0	107.9
376	D	29.7	Very low	27.5	Very low	125 Å²	125	132.6 Å²	132.6	67%	0.668	70%	0.698	S	S	*	*			cis	-172.3	162.1	-20.2	-178.3	45.3	0	0	0	111.9
377	T	29.3	Very low	27.6	Very low	105 Å²	105	131 Å²	131	64%	0.644	70%	0.695	S	S	*	*			trans	54.1	157.9	159.1	41.2	0	0	0	0	123.1
378	L	27.7	Very low	27.4	Very low	134 Å²	134	133.7 Å²	133.7	70%	0.702	70%	0.702	S	S	*	*			cis	-147.9	136.7	19.8	-163	73	0	0	0	114.8
379	E	26.2	Very low	27.3	Very low	110 Å²	110	136.5 Å²	136.5	51%	0.514	71%	0.707	S	S	.	*			trans	15.1	165.3	148.3	-46.1	-178.1	102.7	0	0	123.4	Q381	E379-Q381 PolarHBondContact OE1-NE2 2.82Å
380	Y	27.6	Very low	27.1	Very low	173 Å²	173	139.2 Å²	139.2	68%	0.678	71%	0.711	S	S	*	*			cis	-121.8	132.3	11.4	-98.2	-108.1	0	0	0	110.1
381	Q	27.4	Very low	27.3	Very low	118 Å²	118	136.4 Å²	136.4	55%	0.551	70%	0.702	S	S	*	*				62.6	145.3	75.8	-67.8	-165.2	41	0	0	114.6	E379	E379-Q381 PolarHBondContact OE1-NE2 2.82Å
382	N	25.1	Very low	27.1	Very low	137 Å²	137	140 Å²	140	73%	0.733	71%	0.705	S	S	*	*			cis	-175.7	148.9	-26.7	-111.7	-16.5	0	0	0	108
383	M	25.9	Very low	26.7	Very low	182 Å²	182	141.5 Å²	141.5	90%	0.897	71%	0.711	S	S	*	*			trans	148	145.8	149.7	-86.3	173.6	69.2	0	0	110.9
384	V	25.1	Very low	26.3	Very low	110 Å²	110	138.3 Å²	138.3	67%	0.667	71%	0.707	S	S	*	*			cis	-173.9	124.5	-39.9	126.3	0	0	0	0	105.3
385	Q	27	Very low	26.1	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	72%	0.719	S	S	*	*			trans	-175.4	111.6	148.7	-105.4	154.6	-15.9	0	0	111.7
386	N	26	Very low	25.9	Very low	124 Å²	124	139.8 Å²	139.8	66%	0.663	72%	0.721	S	S	*	*				31.3	135.8	120.6	-57.4	53.6	0	0	0	119.2
387	D	25.7	Very low	25.6	Very low	141 Å²	141	140 Å²	140	75%	0.754	72%	0.721	S	S	*	*			cis	-150.7	148.3	-7.9	-106	-39.8	0	0	0	113.4
388	I	22.7	Very low	25.4	Very low	141 Å²	141	140.3 Å²	140.3	72%	0.723	72%	0.719	S	S	*	*			trans	-88.2	143.4	179.8	-68.9	156.8	0	0	0	109.3
389	F	25.5	Very low	25.2	Very low	203 Å²	203	140.9 Å²	140.9	89%	0.89	72%	0.718	S	S	*	*			trans	-169.9	88.8	133.6	-105.8	-66.6	0	0	0	114.9
390	M	23.8	Very low	25.1	Very low	159 Å²	159	143.4 Å²	143.4	78%	0.783	73%	0.732	S	S	*	*			trans	-89.1	165.5	141	-98.2	-85.3	-172	0	0	107
391	P	30.6	Very low	25.2	Very low	98 Å²	98	144.4 Å²	144.4	64%	0.636	74%	0.735	S	S	*	*			cis	-162.8	175.7	47.8	45.6	-23.1	0	0	0	121
392	K	23.5	Very low	25.1	Very low	178 Å²	178	144.2 Å²	144.2	77%	0.774	74%	0.737	S	S	*	*			trans	69.9	142.5	132.6	-88.1	174.3	178.5	-178.5	0	125.3
393	I	22.4	Very low	25.1	Very low	163 Å²	163	144.2 Å²	144.2	84%	0.836	74%	0.737	S	S	*	*			trans	74.5	158.4	148.4	-64.9	160.2	0	0	0	116
394	G	22.9	Very low	25	Very low	54 Å²	54	140.3 Å²	140.3	56%	0.557	72%	0.72	S	S	*	*			trans	-157.5	-153.9	-179.9	0	0	0	0	0	114
395	S	25.8	Very low	25	Very low	117 Å²	117	139.5 Å²	139.5	82%	0.818	71%	0.712	S	S	*	*			trans	102.6	141.3	-177.2	79.7	0	0	0	0	116.8
396	K	24.7	Very low	25.4	Very low	182 Å²	182	138.2 Å²	138.2	79%	0.791	71%	0.711	S	S	*	*			trans	78.5	112.3	160	-73.9	-171	164.1	-174.7	0	122.7
397	L	22.8	Very low	25.5	Very low	128 Å²	128	139.5 Å²	139.5	67%	0.67	72%	0.717	S	S	*	*				77.1	118.7	122.9	-62.9	169.7	0	0	0	121.2
398	N	24.1	Very low	25.4	Very low	113 Å²	113	137.5 Å²	137.5	60%	0.604	72%	0.72	S	S	*	*				70	151.3	126.4	-67.6	42.6	0	0	0	120.4
399	E	24.6	Very low	25.5	Very low	145 Å²	145	135.4 Å²	135.4	68%	0.678	72%	0.718	S	S	*	*			cis	-175	137.9	-25	-115.3	166.7	-171	0	0	106.3
400	M	24.3	Very low	25.5	Very low	164 Å²	164	132 Å²	132	81%	0.808	71%	0.709	S	S	*	*			trans	167	121.2	169.4	-102.3	171	48.5	0	0	106.7
401	Y	28.4	Very low	25.5	Very low	193 Å²	193	131 Å²	131	76%	0.757	71%	0.705	S	S	*	*			cis	-141.5	146.1	2	-97.9	-101.3	0	0	0	105.7
402	I	26.5	Very low	25.2	Very low	114 Å²	114	133.2 Å²	133.2	59%	0.585	71%	0.71	S	S	*	*			cis	69.4	114.9	39	-55.7	176.4	0	0	0	112.9
403	D	23.9	Very low	25.3	Very low	138 Å²	138	131.3 Å²	131.3	74%	0.738	71%	0.709	S	S	*	*			cis	-166.7	152.9	-9.4	-110.5	-14.8	0	0	0	112
404	D	23.9	Very low	25.6	Very low	100 Å²	100	131 Å²	131	54%	0.535	71%	0.709	S	S	.	*			trans	58.5	132.2	142.6	-100.6	27.3	0	0	0	128.6	K355	K355-D404 WeakPolarHBondContact CE-OD1 3.4Å; K355-D404 IonicContact NZ-OD1 3.64Å; K355-D404 PolarHBondContact NZ-OD1 3.19Å; K355-D404 IonicContact NZ-OD2 3.85Å; K355-D404 PolarHBondContact NZ-OD2 3.39Å
405	N	26.2	Very low	25.8	Very low	92 Å²	92	136.8 Å²	136.8	49%	0.492	72%	0.721	S	S	.	*			trans	82.1	112	142.2	-64.2	-37.9	0	0	0	123.5	K355	K355-N405 WeakPolarHBondContact CE-OD1 3.07Å; K355-N405 PolarHBondContact NZ-OD1 3.49Å
406	N	35.7	Very low	25.9	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	72%	0.721	S	S	*	*			trans	159.6	163.7	137.4	-86.5	-51.5	0	0	0	109.9
407	L	26.6	Very low	25.8	Very low	151 Å²	151	135 Å²	135	79%	0.791	72%	0.721	S	S	*	*			cis	-171.4	146	-39.8	-173.4	70.6	0	0	0	109
408	A	25.1	Very low	25.8	Very low	99 Å²	99	135 Å²	135	82%	0.818	73%	0.726	S	S	*	*			trans	71.4	168.9	160	0	0	0	0	0	120.5
409	S	24.7	Very low	25.8	Very low	98 Å²	98	134.2 Å²	134.2	69%	0.685	74%	0.736	S	S	*	*			trans	-120.5	165.6	-167.6	60.2	0	0	0	0	112.5
410	D	24.6	Very low	25.9	Very low	130 Å²	130	131.8 Å²	131.8	70%	0.695	74%	0.741	S	S	*	*				166.1	138.6	123.7	-91.8	11.5	0	0	0	114.8
411	I	23.9	Very low	25.8	Very low	139 Å²	139	132.4 Å²	132.4	71%	0.713	74%	0.744	S	S	*	*			trans	72.4	137	138.6	-64.6	169.4	0	0	0	120.9
412	I	25.2	Very low	25.7	Very low	144 Å²	144	127.6 Å²	127.6	74%	0.738	74%	0.743	S	S	*	*			trans	86.1	131.1	158.3	-86.5	164.1	0	0	0	120.1
413	D	24.7	Very low	25.8	Very low	139 Å²	139	125 Å²	125	74%	0.743	73%	0.733	S	S	*	*	S	Bend	trans	53.7	-174.3	162.8	-61.6	-12.2	0	0	0	119.1
414	D	30	Very low	26	Very low	156 Å²	156	121.2 Å²	121.2	83%	0.834	72%	0.716	S	S	*	*	S	Bend	trans	-17.1	128.9	-170.1	-63.3	-46.7	0	0	0	118.5
415	E	26.4	Very low	26	Very low	176 Å²	176	120.3 Å²	120.3	82%	0.822	71%	0.708	S	S	*	*	S	Bend	trans	76.3	127	177.5	-48.3	-171.3	141.6	0	0	117.3
416	T	28.2	Very low	26	Very low	134 Å²	134	122.9 Å²	122.9	82%	0.822	72%	0.716	S	S	*	*			trans	69.5	-152	167.8	79.7	0	0	0	0	118
417	T	21.3	Very low	25.4	Very low	127 Å²	127	120.8 Å²	120.8	78%	0.779	71%	0.705	S	S	*	*			trans	68.2	158	-152.1	78.5	0	0	0	0	114.2
418	T	22.9	Very low	25.4	Very low	127 Å²	127	123.2 Å²	123.2	78%	0.779	71%	0.705	S	S	*	*			cis	-155.1	154.6	-27	27.7	0	0	0	0	106
419	A	24.2	Very low	25.2	Very low	98 Å²	98	123.9 Å²	123.9	81%	0.81	70%	0.7	S	S	*	*			cis	104.5	111.1	20.6	0	0	0	0	0	115.6
420	A	27.2	Very low	25.2	Very low	94 Å²	94	124.1 Å²	124.1	78%	0.777	70%	0.701	S	S	*	*			trans	-167.4	116	158.7	0	0	0	0	0	107.5
421	M	22.6	Very low	25	Very low	177 Å²	177	123.1 Å²	123.1	87%	0.872	70%	0.704	S	S	*	*				53.8	124.1	68.7	-70.6	-166.6	172.2	0	0	115.3
422	A	24.9	Very low	25	Very low	91 Å²	91	125.4 Å²	125.4	75%	0.752	71%	0.712	S	S	*	*				158.2	142.9	113.4	0	0	0	0	0	114.1
423	T	30.1	Very low	25	Very low	61 Å²	61	123.8 Å²	123.8	37%	0.374	71%	0.709	S	S	.	*			trans	-178.5	167.6	-163.3	35.5	0	0	0	0	111.6	S348 Q349	S348-T423 WeakPolarHBondContact OG-CA 3.27Å; S348-T423 WeakPolarHBondContact OG-CB 3.25Å; S348-T423 WeakPolarHBondContact OG-CG2 3.48Å; Q349-T423 VanDerWaalsContact CG-C 3.46Å; Q349-T423 VanDerWaalsContact CG-O 3.27Å; Q349-T423 WeakPolarHBondContact CG-O 3.41Å; Q349-T423 WeakPolarHBondContact CG-OG1 3.06Å; Q349-T423 WeakPolarHBondContact O-CB 3.47Å; Q349-T423 VanDerWaalsContact O-CG2 3.3Å; Q349-T423 WeakPolarHBondContact O-CG2 3.32Å; Q349-T423 PolarHBondContact O-OG1 2.04Å; Q349-T423 PolarHBondContact OE1-O 2.84Å
424	P	27.6	Very low	25.1	Very low	58 Å²	58	120.2 Å²	120.2	38%	0.377	69%	0.689	S	S	.	*			trans	-147.1	173.5	145.6	19.7	3.9	0	0	0	116.9	M347 S348	M347-P424 WeakPolarHBondContact CB-O 3.02Å; M347-P424 HydrophobicContact CE-CB 3.88Å; M347-P424 HydrophobicContact CE-CG 3.85Å; M347-P424 WeakPolarHBondContact CE-O 3.27Å; M347-P424 VanDerWaalsContact CG-O 3.23Å; M347-P424 WeakPolarHBondContact CG-O 3.33Å; S348-P424 VanDerWaalsContact C-C 3.45Å; S348-P424 CarbonylContact C-O 3.52Å; S348-P424 VanDerWaalsContact C-O 3.31Å; S348-P424 VanDerWaalsContact CA-O 3.26Å; S348-P424 WeakPolarHBondContact CA-O 3.41Å; S348-P424 WeakPolarHBondContact CB-O 3.25Å; S348-P424 PolarHBondContact N-O 2.86Å; S348-P424 CarbonylContact O-C 3.15Å; S348-P424 PolarHBondContact OG-O 2.99Å
425	F	23.4	Very low	24.8	Very low	81 Å²	81	118.2 Å²	118.2	36%	0.355	68%	0.678	S	S	.	*				-165.2	164.6	-53.1	-155.6	10.7	0	0	0	113	S348 Q349 E351	S348-F425 CarbonylContact O-C 3.39Å; S348-F425 WeakPolarHBondContact O-CA 3.23Å; S348-F425 PolarHBondContact O-N 2.85Å; S348-F425 VanDerWaalsContact O-N 3.16Å; Q349-F425 HydrophobicContact CB-CB 3.78Å; Q349-F425 HydrophobicContact CB-CD1 3.42Å; Q349-F425 VanDerWaalsContact CB-CD1 3.42Å; Q349-F425 HydrophobicContact CB-CE1 4.2Å; Q349-F425 HydrophobicContact CB-CG 3.7Å; Q349-F425 HydrophobicContact CG-CB 4.43Å; Q349-F425 HydrophobicContact CG-CD1 4.42Å; Q349-F425 HydrophobicContact CG-CG 4.38Å; E351-F425 HydrophobicContact CG-CE1 3.91Å; E351-F425 HydrophobicContact CG-CZ 3.75Å
426	E	25.9	Very low	24.8	Very low	145 Å²	145	115.5 Å²	115.5	68%	0.678	67%	0.666	S	S	*	*			trans	64.7	160.3	160	-67.5	-150.5	104.9	0	0	122.2
427	N	24.8	Very low	24.7	Very low	111 Å²	111	113.3 Å²	113.3	59%	0.594	66%	0.656	S	S	*	*			cis	-166.2	147.4	-36.7	-111.4	-26.1	0	0	0	113.5
428	Y	24.8	Very low	24.9	Very low	202 Å²	202	118 Å²	118	79%	0.792	66%	0.661	S	S	*	*			trans	66.4	141	148.7	-87.8	-117.3	0	0	0	126.3
429	T	22.7	Very low	24.9	Very low	114 Å²	114	116.3 Å²	116.3	70%	0.699	65%	0.654	S	S	*	*			trans	70.1	100	147.4	42	0	0	0	0	124.2
430	S	22.8	Very low	24.8	Very low	102 Å²	102	117.7 Å²	117.7	71%	0.713	65%	0.653	S	S	*	*				46.5	138.3	116.7	66.7	0	0	0	0	124.1
431	S	21.3	Very low	24.5	Very low	109 Å²	109	118.9 Å²	118.9	76%	0.762	65%	0.65	S	S	*	*			trans	99.6	147.4	152.3	-54.4	0	0	0	0	118.2
432	E	23.3	Very low	24.5	Very low	188 Å²	188	116 Å²	116	88%	0.879	64%	0.643	S	S	*	*			trans	70.4	145	168.8	-62.9	-168.3	177.6	0	0	116.7
433	V	26.2	Very low	24.4	Very low	110 Å²	110	119 Å²	119	67%	0.667	64%	0.644	S	S	*	*			cis	-163	143.6	-13.2	113	0	0	0	0	110.6
434	L	26.6	Very low	24	Very low	64 Å²	64	122.2 Å²	122.2	34%	0.335	66%	0.658	S	S	.	*			trans	53.6	127.9	158.1	-63.8	173.8	0	0	0	119.9	M316 N317	M316-L434 HydrophobicContact CE-CD1 3.4Å; M316-L434 VanDerWaalsContact CE-CD1 3.4Å; M316-L434 HydrophobicContact CG-CD1 4.14Å; N317-L434 WeakPolarHBondContact OD1-CD2 3.36Å
435	N	24	Very low	23.8	Very low	113 Å²	113	125.9 Å²	125.9	60%	0.604	68%	0.675	S	S	*	*				65.5	144.4	75.9	-70.2	27	0	0	0	114
436	E	25.6	Very low	23.8	Very low	119 Å²	119	127 Å²	127	56%	0.556	69%	0.688	S	S	*	*			cis	-150.7	161.6	18.7	-138	143.6	-113.1	0	0	112
437	S	25.7	Very low	23.7	Very low	88 Å²	88	126.8 Å²	126.8	62%	0.615	69%	0.692	S	S	*	*			trans	-92.4	162.1	175.9	55.5	0	0	0	0	112.4
438	Y	25.7	Very low	23.7	Very low	225 Å²	225	129.2 Å²	129.2	88%	0.882	70%	0.703	S	S	*	*				-176.7	165.4	115.8	-107.3	-74.7	0	0	0	112.3
439	S	22.7	Very low	23.6	Very low	92 Å²	92	124.2 Å²	124.2	64%	0.643	70%	0.698	S	S	*	*			trans	-110.7	157.6	-174.3	55.5	0	0	0	0	112.7
440	T	22.6	Very low	23.6	Very low	128 Å²	128	123.9 Å²	123.9	79%	0.785	70%	0.695	S	S	*	*			trans	-176.3	126	132.7	17.7	0	0	0	0	114.1
441	T	21.6	Very low	23.8	Very low	118 Å²	118	125.2 Å²	125.2	72%	0.724	70%	0.699	S	S	*	*			trans	42	145.7	139.8	55.3	0	0	0	0	125.1
442	T	22.7	Very low	23.9	Very low	117 Å²	117	124.6 Å²	124.6	72%	0.718	69%	0.691	S	S	*	*			trans	80.7	111.3	143.3	40.1	0	0	0	0	122.5
443	M	22	Very low	24	Very low	155 Å²	155	123.5 Å²	123.5	76%	0.764	69%	0.691	S	S	*	*				74.1	111.9	126.2	-72.9	178.1	140.9	0	0	122.1
444	D	22.2	Very low	23.9	Very low	128 Å²	128	125 Å²	125	68%	0.684	69%	0.694	S	S	*	*				78.9	134.4	118.1	-54.1	-7.5	0	0	0	123
445	D	22.6	Very low	23.8	Very low	135 Å²	135	130.6 Å²	130.6	72%	0.722	72%	0.719	S	S	*	*			trans	70.1	92.9	142.2	-76.7	4.2	0	0	0	123.7
446	T	24.4	Very low	23.8	Very low	104 Å²	104	130.6 Å²	130.6	64%	0.638	72%	0.723	S	S	*	*				80.3	136	119	67.1	0	0	0	0	121.8
447	N	23.1	Very low	23.9	Very low	140 Å²	140	133.3 Å²	133.3	75%	0.749	74%	0.739	S	S	*	*			trans	66.7	152.4	142.1	-64.4	-26.9	0	0	0	116.5
448	I	24.7	Very low	23.8	Very low	163 Å²	163	135.3 Å²	135.3	84%	0.836	75%	0.748	S	S	*	*			cis	-135.3	153.8	41.2	-78.7	167.5	0	0	0	112.3
449	S	23.3	Very low	23.9	Very low	97 Å²	97	130 Å²	130	68%	0.678	74%	0.741	S	S	*	*			trans	-106	-140.9	177.4	61.9	0	0	0	0	111.2
450	V	23.2	Very low	23.8	Very low	106 Å²	106	131 Å²	131	64%	0.642	75%	0.748	S	S	*	*			trans	71.7	109.7	167.3	-162.6	0	0	0	0	117.3	T452	V450-T452 HydrophobicContact CG1-CG2 4.24Å
451	T	25.4	Very low	24	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	75%	0.753	S	S	*	*				175.6	144.4	115	30.2	0	0	0	0	109.7
452	T	24.7	Very low	24.1	Very low	97 Å²	97	137.1 Å²	137.1	60%	0.595	76%	0.761	S	S	*	*			cis	-165.7	148.1	-36.3	8.4	0	0	0	0	106.6	V450	V450-T452 HydrophobicContact CG1-CG2 4.24Å
453	N	26.1	Very low	24.1	Very low	165 Å²	165	139 Å²	139	88%	0.882	77%	0.766	S	S	*	*			trans	-168	137.1	134.1	-97.7	-17	0	0	0	109.9
454	I	22.6	Very low	24.1	Very low	140 Å²	140	136.4 Å²	136.4	72%	0.718	76%	0.762	S	S	*	*			trans	-140.6	133	-175.9	-64.7	172.6	0	0	0	106.9	T456	I454-T456 HydrophobicContact CG2-CG2 4.11Å
455	E	25.1	Very low	24	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	77%	0.768	S	S	*	*			trans	177.1	91.1	146.3	-101	169.7	-156	0	0	106.9
456	T	23.5	Very low	23.9	Very low	113 Å²	113	137.9 Å²	137.9	69%	0.693	77%	0.774	S	S	*	*				60.1	100.5	86.9	64.5	0	0	0	0	115.5	I454	I454-T456 HydrophobicContact CG2-CG2 4.11Å
457	I	28.6	Very low	23.7	Very low	175 Å²	175	138.4 Å²	138.4	90%	0.897	78%	0.777	S	S	*	*			trans	-148.6	143.4	133.6	-95.7	144.1	0	0	0	106.9
458	T	24.1	Very low	23.7	Very low	130 Å²	130	136.9 Å²	136.9	80%	0.798	77%	0.773	S	S	*	*			trans	-88.4	171.9	-170.1	41.5	0	0	0	0	112.4
459	P	26.1	Very low	23.5	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	78%	0.775	S	S	*	*			cis	-137.5	167	14	42.4	-25.9	0	0	0	117.9
460	S	21.9	Very low	23.5	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	77%	0.774	S	S	*	*			trans	-166.5	159.6	135.5	-86.5	0	0	0	0	112
461	N	26.1	Very low	23.4	Very low	165 Å²	165	140.4 Å²	140.4	88%	0.882	78%	0.779	S	S	*	*			trans	60.1	106.3	173.3	-65.8	-4.7	0	0	0	118.4
462	K	23.3	Very low	23.4	Very low	209 Å²	209	141.8 Å²	141.8	91%	0.909	78%	0.78	S	S	*	*			trans	-139.5	137.5	162.7	-133.3	-173.5	-174.6	-173.1	0	110.7
463	I	23.4	Very low	23.3	Very low	157 Å²	157	143.8 Å²	143.8	81%	0.805	79%	0.788	S	S	*	*			trans	-65.3	142.5	158.8	-63.7	163.5	0	0	0	106.8
464	S	20.8	Very low	23.2	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	77%	0.769	S	S	*	*			cis	-154.5	160.4	16.1	26.1	0	0	0	0	113.2
465	V	22	Very low	23.2	Very low	131 Å²	131	137.6 Å²	137.6	79%	0.794	76%	0.759	S	S	*	*			trans	46.8	101.3	147.9	-177.4	0	0	0	0	119.2
466	L	20.1	Very low	23	Very low	163 Å²	163	131.7 Å²	131.7	85%	0.853	74%	0.738	S	S	*	*				-156.3	-172.9	114	-144.2	69.3	0	0	0	109.9
467	T	20.3	Very low	23.1	Very low	115 Å²	115	136.8 Å²	136.8	71%	0.706	75%	0.746	S	S	*	*			trans	-101.8	174.6	-157.2	53.3	0	0	0	0	116.6
468	T	21.8	Very low	22.8	Very low	108 Å²	108	137.2 Å²	137.2	66%	0.663	75%	0.745	S	S	*	*			trans	80.2	105.6	154.7	47.1	0	0	0	0	121.2
469	Y	21.8	Very low	22.8	Very low	222 Å²	222	137.8 Å²	137.8	87%	0.871	74%	0.743	S	S	*	*			trans	62.1	141.4	139.2	-59.9	-59.8	0	0	0	120.3
470	S	22.5	Very low	22.6	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	75%	0.75	S	S	*	*			cis	-158.9	155.3	2.8	47.8	0	0	0	0	114.2
471	T	22	Very low	22.8	Very low	123 Å²	123	139.2 Å²	139.2	76%	0.755	75%	0.745	S	S	*	*			trans	50.5	105.4	147.5	54.7	0	0	0	0	121.5
472	I	25.6	Very low	22.7	Very low	160 Å²	160	135.5 Å²	135.5	82%	0.821	73%	0.732	S	S	*	*				-145.1	142.6	123	-66.3	-165.5	0	0	0	107.1
473	D	21.3	Very low	22.8	Very low	139 Å²	139	129.4 Å²	129.4	74%	0.743	72%	0.716	S	S	*	*			trans	-86.1	138.3	-172.7	-61.7	-80.6	0	0	0	115.4
474	L	23.8	Very low	23	Very low	96 Å²	96	128.6 Å²	128.6	50%	0.503	71%	0.712	S	S	.	*			trans	-154.8	114.9	165.5	-87.4	106.1	0	0	0	110	M1187	L474-M1187 HydrophobicContact CB-CB 4.26Å; L474-M1187 HydrophobicContact CB-CE 3.73Å; L474-M1187 HydrophobicContact CB-SD 4.32Å; L474-M1187 HydrophobicContact CD2-CB 4Å; L474-M1187 HydrophobicContact CD2-CE 4.23Å; L474-M1187 HydrophobicContact CD2-SD 3.86Å; L474-M1187 HydrophobicContact CG-CB 4.2Å
475	P	22.9	Very low	23.2	Very low	78 Å²	78	129.4 Å²	129.4	51%	0.506	71%	0.713	S	S	.	*			trans	-103.2	108.9	-176.6	35.3	-34.3	0	0	0	116.4	M1187 N1188	P475-M1187 VanDerWaalsContact C-CE 3.47Å; P475-M1187 WeakPolarHBondContact CD-O 3.05Å; P475-M1187 WeakPolarHBondContact CG-O 3.17Å; P475-M1187 WeakPolarHBondContact O-CG 3.39Å; P475-N1188 WeakPolarHBondContact O-CB 3.32Å
476	S	22.2	Very low	23.3	Very low	59 Å²	59	126.2 Å²	126.2	41%	0.413	69%	0.693	S	S	.	*			trans	-164.3	118.1	158.1	81.8	0	0	0	0	113.8	M1187 N1188	S476-M1187 VanDerWaalsContact N-CE 3.29Å; S476-M1187 WeakPolarHBondContact OG-CE 3.5Å; S476-N1188 WeakPolarHBondContact CB-ND2 3.45Å
477	Y	24.1	Very low	23.5	Very low	220 Å²	220	124.9 Å²	124.9	86%	0.863	69%	0.685	S	S	*	*			trans	-179.6	87.5	135.4	-117.3	-78.8	0	0	0	108.7
478	E	22.6	Very low	23.6	Very low	184 Å²	184	122.5 Å²	122.5	86%	0.86	67%	0.674	S	S	*	*			trans	-111.2	142	168.1	-72.1	-175.6	139.7	0	0	109.1	T480	E478-T480 PolarHBondContact O-N 2.57Å
479	N	24.5	Very low	23.8	Very low	143 Å²	143	123.9 Å²	123.9	77%	0.765	68%	0.677	S	S	*	*			trans	-77.6	116.9	-172.8	-70.3	-35	0	0	0	110.6	T481	N479-T481 PolarHBondContact O-N 3.06Å
480	T	22.6	Very low	23.9	Very low	144 Å²	144	120 Å²	120	88%	0.883	67%	0.667	S	S	*	*			trans	-77.4	69.8	176.9	55.9	0	0	0	0	111.9	E478	E478-T480 PolarHBondContact O-N 2.57Å
481	T	25	Very low	24.1	Very low	112 Å²	112	124 Å²	124	69%	0.687	67%	0.668	S	S	*	*			trans	-88.4	99.7	164.1	46.3	0	0	0	0	109.5	N479 S483	N479-T481 PolarHBondContact O-N 3.06Å; T481-S483 PolarHBondContact O-N 3.5Å
482	S	24.8	Very low	24.2	Very low	87 Å²	87	122.9 Å²	122.9	61%	0.608	66%	0.656	S	S	*	*			trans	-51.8	135.3	161.8	50.1	0	0	0	0	109.6	I484	S482-I484 PolarHBondContact O-N 3.24Å
483	S	24.7	Very low	24.2	Very low	82 Å²	82	123.4 Å²	123.4	57%	0.573	65%	0.654	S	S	*	*			trans	-67.6	82	-165	34.1	0	0	0	0	114.5	T481	T481-S483 PolarHBondContact O-N 3.5Å
484	I	27.6	Very low	24.6	Very low	139 Å²	139	122.2 Å²	122.2	71%	0.713	65%	0.648	S	S	*	*			trans	-85.2	116.9	156.6	-56.1	174.9	0	0	0	106.6	S482 V486	S482-I484 PolarHBondContact O-N 3.24Å; I484-V486 HydrophobicContact CB-CG2 4.47Å; I484-V486 HydrophobicContact CG2-CG2 3.85Å; I484-V486 PolarHBondContact O-N 2.85Å
485	T	24.7	Very low	24.8	Very low	118 Å²	118	123.9 Å²	123.9	72%	0.724	66%	0.657	S	S	*	*			trans	-77.8	69.5	-174.9	-43.8	0	0	0	0	111.9	I487	T485-I487 HydrophobicContact CG2-CD1 4.28Å; T485-I487 HydrophobicContact CG2-CG1 3.96Å; T485-I487 PolarHBondContact O-N 3.1Å
486	V	24.2	Very low	25	Very low	64 Å²	64	124.4 Å²	124.4	39%	0.388	66%	0.656	S	S	.	*			trans	-74.9	89.5	173.7	-175.9	0	0	0	0	109.3	I484 S488 M516	I484-V486 HydrophobicContact CB-CG2 4.47Å; I484-V486 HydrophobicContact CG2-CG2 3.85Å; I484-V486 PolarHBondContact O-N 2.85Å; V486-S488 VanDerWaalsContact C-N 3.31Å; V486-S488 PolarHBondContact O-N 3.43Å; V486-M516 HydrophobicContact CG1-CB 3.87Å
487	I	24	Very low	25.1	Very low	134 Å²	134	130.2 Å²	130.2	69%	0.687	68%	0.676	S	S	*	*			trans	-78.8	83.6	172.3	-51.6	-176.5	0	0	0	109	T485 N489	T485-I487 HydrophobicContact CG2-CD1 4.28Å; T485-I487 HydrophobicContact CG2-CG1 3.96Å; T485-I487 PolarHBondContact O-N 3.1Å; I487-N489 PolarHBondContact O-N 2.85Å
488	S	23.7	Very low	25.1	Very low	66 Å²	66	123.5 Å²	123.5	46%	0.462	66%	0.658	S	S	.	*			trans	-70.6	108.3	160.5	56.6	0	0	0	0	108.9	V486	V486-S488 VanDerWaalsContact C-N 3.31Å; V486-S488 PolarHBondContact O-N 3.43Å
489	N	24.4	Very low	25.3	Very low	136 Å²	136	121.4 Å²	121.4	73%	0.727	66%	0.657	S	S	*	*			trans	-72.2	174.8	165.8	-110.8	-10.4	0	0	0	110.5	I487	I487-N489 PolarHBondContact O-N 2.85Å
490	E	25.4	Very low	25.2	Very low	140 Å²	140	121.7 Å²	121.7	65%	0.654	65%	0.652	S	S	*	*			trans	85.4	141.9	163.1	-48.4	-138.9	127.6	0	0	116.5
491	R	25	Very low	25.3	Very low	181 Å²	181	123.2 Å²	123.2	68%	0.683	65%	0.651	S	S	*	*			cis	-161.4	151.1	-3.5	-122.2	179.7	-159.2	168.7	22.2	113.8
492	I	24.7	Very low	25.3	Very low	98 Å²	98	124.5 Å²	124.5	50%	0.503	65%	0.654	S	S	.	*				40.1	129.5	127.4	-72.8	175.6	0	0	0	120.9	D494	I492-D494 HydrophobicContact CG2-CB 3.74Å; I492-D494 WeakPolarHBondContact CG2-OD2 3.2Å
493	H	26.3	Very low	25.3	Very low	172 Å²	172	127 Å²	127	80%	0.796	66%	0.66	S	S	*	*				-153.2	116.1	111.6	-102.1	-72.7	0	0	0	108
494	D	29	Very low	25.2	Very low	113 Å²	113	128 Å²	128	60%	0.604	67%	0.667	S	S	*	*				62.9	120.8	52.9	-77.6	0.2	0	0	0	115	I492	I492-D494 HydrophobicContact CG2-CB 3.74Å; I492-D494 WeakPolarHBondContact CG2-OD2 3.2Å
495	D	27.8	Very low	25.3	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	68%	0.677	S	S	*	*				176.9	157.4	127.9	-102.8	-9.2	0	0	0	110.3
496	N	26.6	Very low	25.2	Very low	88 Å²	88	132.7 Å²	132.7	47%	0.471	68%	0.677	S	S	.	*			cis	-153.4	150.8	8.8	-137.3	-58.3	0	0	0	111	T498	N496-T498 PolarHBondContact OD1-N 2.9Å; N496-T498 VanDerWaalsContact OD1-N 3.12Å
497	H	25.1	Very low	25.3	Very low	181 Å²	181	136.9 Å²	136.9	84%	0.838	70%	0.697	S	S	*	*				-162.5	116.9	105.3	-116.7	-68.3	0	0	0	113.4
498	T	24.2	Very low	25.2	Very low	79 Å²	79	136.5 Å²	136.5	49%	0.485	70%	0.697	S	S	.	*			trans	-117.3	145.7	173.7	52.2	0	0	0	0	112.8	N496	N496-T498 PolarHBondContact OD1-N 2.9Å; N496-T498 VanDerWaalsContact OD1-N 3.12Å
499	V	26.3	Very low	25.3	Very low	140 Å²	140	143 Å²	143	85%	0.848	72%	0.717	S	S	*	*			trans	-137.4	83	160.6	-176.3	0	0	0	0	106.8
500	K	23.9	Very low	25.3	Very low	149 Å²	149	141 Å²	141	65%	0.648	71%	0.714	S	S	*	*				58.1	120.1	76.6	-72.3	-177.6	174.8	164	0	115.6
501	M	24.1	Very low	25.2	Very low	177 Å²	177	142.4 Å²	142.4	87%	0.872	72%	0.724	S	S	*	*			trans	-132.2	130.3	130.9	-83.4	-149.9	174.7	0	0	111.8
502	N	24.2	Very low	25.2	Very low	139 Å²	139	140.2 Å²	140.2	74%	0.743	72%	0.723	S	S	*	*			trans	49.1	110.9	156.4	-62.4	-20.1	0	0	0	121.6
503	L	25.2	Very low	25	Very low	139 Å²	139	143.2 Å²	143.2	73%	0.728	74%	0.74	S	S	*	*			trans	-90.5	159.8	156.1	-61.7	72.3	0	0	0	109.6
504	S	22.8	Very low	25	Very low	104 Å²	104	144.4 Å²	144.4	73%	0.727	74%	0.739	S	S	*	*				168.8	105.4	113.5	47.4	0	0	0	0	115.1
505	K	28.6	Very low	24.9	Very low	214 Å²	214	142.5 Å²	142.5	93%	0.93	73%	0.734	S	S	*	*				-166.3	157.9	120.1	-105.7	167.3	-175.5	177.4	0	110.6
506	I	24.2	Very low	25.2	Very low	140 Å²	140	140 Å²	140	72%	0.718	72%	0.72	S	S	*	*			trans	-123.4	136.1	-160.4	-70.5	160.8	0	0	0	108.3
507	D	24.9	Very low	26	Very low	152 Å²	152	143.8 Å²	143.8	81%	0.813	73%	0.734	S	S	*	*				-158	166	115.2	-132.6	-32.5	0	0	0	114
508	N	23.7	Very low	27.6	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	71%	0.708	S	S	*	*			trans	-104.1	141.1	-157.3	-59.7	-97.1	0	0	0	113
509	K	24.2	Very low	29.1	Very low	201 Å²	201	136.4 Å²	136.4	87%	0.874	70%	0.695	S	S	*	*			trans	-165.8	150.1	137.4	-113.6	162	-173.8	175.8	0	114.1
510	S	25.8	Very low	30.9	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	69%	0.69	S	S	*	*			trans	49.2	93.3	163.9	54.4	0	0	0	0	117.8
511	I	22.2	Very low	33.4	Very low	168 Å²	168	128.4 Å²	128.4	86%	0.862	66%	0.663	S	S	*	*			trans	-61.6	131.2	139.9	-61.9	168.4	0	0	0	106.8
512	M	24.3	Very low	36.1	Very low	136 Å²	136	123.2 Å²	123.2	67%	0.67	64%	0.643	S	S	*	*			trans	-132.4	120.1	175.8	-80	-83.2	-91.8	0	0	108.7	Y514	M512-Y514 HydrophobicContact CB-CE2 4.46Å; M512-Y514 PolarHBondContact O-N 3.16Å
513	N	21.7	Very low	39.1	Very low	161 Å²	161	117.4 Å²	117.4	86%	0.861	61%	0.613	S	S	*	*			trans	-69.8	112.9	169.7	-68.8	1.6	0	0	0	108.4	S515	N513-S515 PolarHBondContact O-N 3.38Å
514	Y	26.5	Very low	42.2	Very low	197 Å²	197	113.9 Å²	113.9	77%	0.773	59%	0.592	S	S	*	*			trans	-85.6	104.2	172.6	-93.8	-84.1	0	0	0	110.6	M512	M512-Y514 HydrophobicContact CB-CE2 4.46Å; M512-Y514 PolarHBondContact O-N 3.16Å
515	S	25.9	Very low	45.1	Very low	72 Å²	72	113.9 Å²	113.9	50%	0.503	59%	0.588	S	S	.	*			trans	-62.1	140	155.1	-179.1	0	0	0	0	109.1	N513 E517	N513-S515 PolarHBondContact O-N 3.38Å; S515-E517 VanDerWaalsContact C-N 3.28Å; S515-E517 PolarHBondContact O-N 2.78Å
516	M	35.2	Very low	47.9	Very low	81 Å²	81	106.9 Å²	106.9	40%	0.399	57%	0.566	S	S	.	*			trans	-81	71.9	177.1	-69.2	176.6	67.5	0	0	111.3	I247 V486	I247-M516 HydrophobicContact CB-CE 4.44Å; I247-M516 HydrophobicContact CD1-CE 3.8Å; V486-M516 HydrophobicContact CG1-CB 3.87Å
517	E	43.8	Very low	50.9	Low	166 Å²	166	100.3 Å²	100.3	78%	0.776	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-79.7	118.8	166.8	-75.8	-166.9	118.1	0	0	111.2	S515	S515-E517 VanDerWaalsContact C-N 3.28Å; S515-E517 PolarHBondContact O-N 2.78Å
518	Y	57.1	Low	53.5	Low	71 Å²	71	95.1 Å²	95.1	28%	0.278	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-76.1	135.9	168.5	-69.3	-92.7	0	0	0	110.2	F220 I247 W250 S520	F220-Y518 HydrophobicContact CE1-CD2 4.21Å; F220-Y518 HydrophobicContact CE1-CE2 4.28Å; F220-Y518 HydrophobicContact CE1-CG 4.43Å; F220-Y518 HydrophobicContact CE2-CD1 4.11Å; F220-Y518 HydrophobicContact CE2-CE1 4.27Å; F220-Y518 HydrophobicContact CE2-CG 4.45Å; F220-Y518 HydrophobicContact CZ-CD1 4.1Å; F220-Y518 HydrophobicContact CZ-CD2 4.31Å; F220-Y518 HydrophobicContact CZ-CE1 4Å; F220-Y518 HydrophobicContact CZ-CE2 4.21Å; F220-Y518 HydrophobicContact CZ-CG 4.26Å; I247-Y518 HydrophobicContact CD1-CD1 4.08Å; I247-Y518 HydrophobicContact CD1-CE1 3.61Å; I247-Y518 HydrophobicContact CD1-CE2 4.37Å; I247-Y518 HydrophobicContact CG1-CE1 4.08Å; W250-Y518 HydrophobicContact CD2-CD1 4.33Å; W250-Y518 HydrophobicContact CD2-CE1 4.35Å; W250-Y518 AromaticContact CE3-CD1 3.84Å; W250-Y518 HydrophobicContact CE3-CD1 3.84Å; W250-Y518 HydrophobicContact CE3-CE1 4.19Å; W250-Y518 HydrophobicContact CH2-CD1 4.05Å; W250-Y518 HydrophobicContact CZ2-CD1 4.48Å; W250-Y518 AromaticContact CZ3-CD1 3.71Å; W250-Y518 HydrophobicContact CZ3-CD1 3.71Å; W250-Y518 HydrophobicContact CZ3-CE1 4.5Å; Y518-S520 PolarHBondContact O-N 2.98Å
519	P	56.3	Low	56.1	Low	35 Å²	35	94.3 Å²	94.3	23%	0.227	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-62.3	134.8	179.7	28.2	-38.7	0	0	0	111.9	W250 L251 Q255 L521	W250-P519 HydrophobicContact CZ3-CG 4Å; L251-P519 VanDerWaalsContact CD2-CD 3.42Å; L251-P519 HydrophobicContact CD2-CG 3.75Å; Q255-P519 HydrophobicContact CG-CG 4.14Å; P519-L521 PolarHBondContact O-N 3.09Å; P519-L521 VanDerWaalsContact O-N 3.14Å
520	S	63.5	Low	58.3	Low	105 Å²	105	85.7 Å²	85.7	73%	0.734	47%	0.465	S	S	*	.			trans	-68.4	110.3	177.1	61.9	0	0	0	0	111.7	Y518	Y518-S520 PolarHBondContact O-N 2.98Å
521	L	76.1	Confident	60.2	Low	15 Å²	15	88.3 Å²	88.3	8%	0.079	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-72.6	144	171.2	-67.8	170.5	0	0	0	111.3	C216 Y217 T221 Y258 L259 P519 C523	C216-L521 HydrophobicContact CB-CD1 3.79Å; C216-L521 WeakPolarHBondContact O-CD1 3.3Å; Y217-L521 HydrophobicContact CD1-CB 4.37Å; Y217-L521 HydrophobicContact CD2-CD1 4.08Å; Y217-L521 HydrophobicContact CE1-CB 3.89Å; Y217-L521 HydrophobicContact CE2-CD1 4.05Å; Y217-L521 HydrophobicContact CG-CD1 4.34Å; T221-L521 HydrophobicContact CG2-CB 4.03Å; Y258-L521 HydrophobicContact CD2-CD2 4.49Å; L259-L521 HydrophobicContact CD1-CD2 4.42Å; L259-L521 HydrophobicContact CG-CD2 4.34Å; P519-L521 PolarHBondContact O-N 3.09Å; P519-L521 VanDerWaalsContact O-N 3.14Å; L521-C523 PolarHBondContact O-N 2.91Å
522	P	82	Confident	62.5	Low	69 Å²	69	83.5 Å²	83.5	45%	0.448	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-83.4	117.1	-173.2	31.6	-33.9	0	0	0	112.8	L259	L259-P522 HydrophobicContact CD2-CG 4.4Å
523	C	86.1	Confident	65	Low	17 Å²	17	81.3 Å²	81.3	12%	0.115	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-78.8	154.6	165.2	-63.1	0	0	0	0	112	L521 C527 R534 C536	L521-C523 PolarHBondContact O-N 2.91Å; C523-C527 HydrophobicContact CB-CB 4.3Å; C523-R534 HydrophobicContact CB-CB 3.82Å; C523-C536 WeakPolarHBondContact CA-SG 3.33Å; C523-C536 HydrophobicContact CB-CB 3.65Å; C523-C536 WeakPolarHBondContact CB-SG 3.38Å; C523-C536 WeakPolarHBondContact SG-CB 3.41Å; C523-C536 PolarHBondContact SG-N 3.13Å; C523-C536 VanDerWaalsContact SG-N 3.39Å; C523-C536 CovalentContact SG-SG 2.03Å; C523-C536 PolarHBondContact SG-SG 3.2Å
524	H	90.7	Very high	68.1	Low	64 Å²	64	77.6 Å²	77.6	30%	0.296	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-55	148.1	176.7	-165.9	-103.7	0	0	0	113.2	S526 C527 G540	H524-S526 PolarHBondContact CE1-OG 3.38Å; H524-S526 WeakPolarHBondContact ND1-CB 3.17Å; H524-S526 PolarHBondContact ND1-N 3.11Å; H524-S526 PolarHBondContact ND1-OG 2.64Å; H524-S526 PolarHBondContact O-N 3.36Å; H524-S526 VanDerWaalsContact O-N 3.09Å; H524-C527 WeakPolarHBondContact O-CB 3.37Å; H524-C527 PolarHBondContact O-N 3.07Å; H524-C527 PolarHBondContact O-SG 2.96Å; H524-G540 WeakPolarHBondContact CB-O 3.44Å
525	T	85.2	Confident	71	Confident	105 Å²	105	69.5 Å²	69.5	64%	0.644	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-10.6	-176.4	56	0	0	0	0	114.3	R534	T525-R534 PolarHBondContact O-NH1 2.92Å; T525-R534 PolarHBondContact O-NH2 2.86Å; T525-R534 VanDerWaalsContact O-NH2 3.09Å
526	S	86.2	Confident	74.1	Confident	67 Å²	67	66.1 Å²	66.1	47%	0.469	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.7	169.7	-47.5	0	0	0	0	114	H524	H524-S526 PolarHBondContact CE1-OG 3.38Å; H524-S526 WeakPolarHBondContact ND1-CB 3.17Å; H524-S526 PolarHBondContact ND1-N 3.11Å; H524-S526 PolarHBondContact ND1-OG 2.64Å; H524-S526 PolarHBondContact O-N 3.36Å; H524-S526 VanDerWaalsContact O-N 3.09Å
527	C	87.8	Confident	76.6	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	35%	0.345	C	S	.	.	S	Bend	trans	-69.7	147	-173	-57.5	0	0	0	0	112.1	C523 H524 L529 R534 Y535 C544	C523-C527 HydrophobicContact CB-CB 4.3Å; H524-C527 WeakPolarHBondContact O-CB 3.37Å; H524-C527 PolarHBondContact O-N 3.07Å; H524-C527 PolarHBondContact O-SG 2.96Å; C527-L529 PolarHBondContact O-N 2.9Å; C527-R534 PolarHBondContact O-NH1 2.79Å; C527-Y535 WeakPolarHBondContact CB-O 3.49Å; C527-C544 WeakPolarHBondContact CA-SG 3.46Å; C527-C544 HydrophobicContact CB-CB 3.68Å; C527-C544 WeakPolarHBondContact CB-SG 3.37Å; C527-C544 PolarHBondContact N-SG 3.21Å; C527-C544 VanDerWaalsContact N-SG 3.43Å; C527-C544 WeakPolarHBondContact SG-CA 3.43Å; C527-C544 WeakPolarHBondContact SG-CB 3.06Å; C527-C544 CovalentContact SG-SG 2.04Å; C527-C544 PolarHBondContact SG-SG 2.73Å
528	P	79	Confident	78.7	Confident	44 Å²	44	54.4 Å²	54.4	29%	0.286	31%	0.308	S	S	.	.			trans	-52.1	125.8	-175.5	-28.2	35.8	0	0	0	112.8	I530 R534 V547	P528-I530 HydrophobicContact CB-CD1 4.38Å; P528-I530 HydrophobicContact CB-CG1 4.33Å; P528-R534 WeakPolarHBondContact O-CA 3.45Å; P528-V547 HydrophobicContact CB-CG2 4.17Å; P528-V547 HydrophobicContact CG-CG2 3.98Å
529	L	78.5	Confident	80.1	Confident	109 Å²	109	54 Å²	54	57%	0.571	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	105.2	173.4	-172.8	75.6	0	0	0	108.4	C527 G532 K533 R534	C527-L529 PolarHBondContact O-N 2.9Å; L529-G532 WeakPolarHBondContact CD1-O 3.23Å; L529-K533 WeakPolarHBondContact CA-O 3.08Å; L529-R534 HydrophobicContact CB-CG 4.5Å; L529-R534 HydrophobicContact CD1-CG 3.68Å
530	I	70.3	Confident	81.3	Confident	20 Å²	20	53.2 Å²	53.2	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.7	180	-55.1	173.7	0	0	0	107.3	P528 G532 K533 Y535 V547	P528-I530 HydrophobicContact CB-CD1 4.38Å; P528-I530 HydrophobicContact CB-CG1 4.33Å; I530-G532 PolarHBondContact O-N 2.78Å; I530-K533 PolarHBondContact N-O 3.47Å; I530-K533 PolarHBondContact O-N 2.95Å; I530-K533 VanDerWaalsContact O-N 3.08Å; I530-K533 VanDerWaalsContact O-O 3.12Å; I530-Y535 HydrophobicContact CB-CD2 4.42Å; I530-Y535 HydrophobicContact CB-CE2 3.98Å; I530-V547 HydrophobicContact CD1-CG1 4.17Å; I530-V547 HydrophobicContact CD1-CG2 4.09Å
531	Q	66.2	Low	82.3	Confident	152 Å²	152	57 Å²	57	71%	0.71	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	31.9	-179	-63.7	167.5	-75.6	0	0	113.8	K533	Q531-K533 VanDerWaalsContact C-N 3.35Å; Q531-K533 PolarHBondContact O-N 3.09Å
532	G	70	Confident	82.8	Confident	66 Å²	66	62.2 Å²	62.2	68%	0.68	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-13.3	178.4	0	0	0	0	0	115.9	L529 I530	L529-G532 WeakPolarHBondContact CD1-O 3.23Å; I530-G532 PolarHBondContact O-N 2.78Å
533	K	77.1	Confident	83.1	Confident	90 Å²	90	60 Å²	60	39%	0.391	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	149.9	173.2	-174.2	170.6	174.8	-176	0	110.6	F220 L529 I530 Q531 Y535	F220-K533 PolarHBondContact O-NZ 3.24Å; L529-K533 WeakPolarHBondContact CA-O 3.08Å; I530-K533 PolarHBondContact N-O 3.47Å; I530-K533 PolarHBondContact O-N 2.95Å; I530-K533 VanDerWaalsContact O-N 3.08Å; I530-K533 VanDerWaalsContact O-O 3.12Å; Q531-K533 VanDerWaalsContact C-N 3.35Å; Q531-K533 PolarHBondContact O-N 3.09Å; K533-Y535 HydrophobicContact CB-CE1 4.5Å; K533-Y535 HydrophobicContact CB-CE2 3.92Å; K533-Y535 HydrophobicContact CD-CE1 3.79Å; K533-Y535 HydrophobicContact CG-CE1 4.02Å; K533-Y535 HydrophobicContact CG-CE2 4.15Å; K533-Y535 WeakPolarHBondContact O-CE2 3.44Å
534	R	85.4	Confident	83.2	Confident	83 Å²	83	60.3 Å²	60.3	31%	0.313	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.1	170	-66.6	-175.3	-175.9	-93.9	14.2	110.1	C523 T525 C527 P528 L529	C523-R534 HydrophobicContact CB-CB 3.82Å; T525-R534 PolarHBondContact O-NH1 2.92Å; T525-R534 PolarHBondContact O-NH2 2.86Å; T525-R534 VanDerWaalsContact O-NH2 3.09Å; C527-R534 PolarHBondContact O-NH1 2.79Å; P528-R534 WeakPolarHBondContact O-CA 3.45Å; L529-R534 HydrophobicContact CB-CG 4.5Å; L529-R534 HydrophobicContact CD1-CG 3.68Å
535	Y	88.3	Confident	83.1	Confident	28 Å²	28	57.5 Å²	57.5	11%	0.11	31%	0.311	C	S	.	.			trans	-129.6	134	-173.2	-58.8	-87.5	0	0	0	113.7	T221 K223 C527 I530 K533 Q545	T221-Y535 CarbonylContact O-C 3.54Å; T221-Y535 WeakPolarHBondContact O-CA 3.29Å; T221-Y535 WeakPolarHBondContact O-CD1 3.35Å; K223-Y535 HydrophobicContact CB-CD1 3.61Å; K223-Y535 HydrophobicContact CB-CD2 4.42Å; K223-Y535 HydrophobicContact CB-CE1 3.59Å; K223-Y535 HydrophobicContact CB-CE2 4.45Å; K223-Y535 HydrophobicContact CB-CG 3.99Å; K223-Y535 HydrophobicContact CD-CE1 4.49Å; K223-Y535 HydrophobicContact CD-CE2 4.34Å; K223-Y535 HydrophobicContact CG-CE1 4.16Å; C527-Y535 WeakPolarHBondContact CB-O 3.49Å; I530-Y535 HydrophobicContact CB-CD2 4.42Å; I530-Y535 HydrophobicContact CB-CE2 3.98Å; K533-Y535 HydrophobicContact CB-CE1 4.5Å; K533-Y535 HydrophobicContact CB-CE2 3.92Å; K533-Y535 HydrophobicContact CD-CE1 3.79Å; K533-Y535 HydrophobicContact CG-CE1 4.02Å; K533-Y535 HydrophobicContact CG-CE2 4.15Å; K533-Y535 WeakPolarHBondContact O-CE2 3.44Å; Y535-Q545 PolarHBondContact O-N 3.1Å; Y535-Q545 VanDerWaalsContact O-N 3.09Å
536	C	90.4	Very high	83	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-161.9	156	-169.9	62.9	0	0	0	0	112.9	T221 L222 C523 G538 Q543	T221-C536 CarbonylContact C-O 3.52Å; T221-C536 WeakPolarHBondContact CB-O 3.11Å; T221-C536 PolarHBondContact O-N 2.87Å; T221-C536 PolarHBondContact OG1-O 2.74Å; L222-C536 VanDerWaalsContact CD2-C 3.46Å; L222-C536 WeakPolarHBondContact CD2-O 3.42Å; C523-C536 WeakPolarHBondContact CA-SG 3.33Å; C523-C536 HydrophobicContact CB-CB 3.65Å; C523-C536 WeakPolarHBondContact CB-SG 3.38Å; C523-C536 WeakPolarHBondContact SG-CB 3.41Å; C523-C536 PolarHBondContact SG-N 3.13Å; C523-C536 VanDerWaalsContact SG-N 3.39Å; C523-C536 CovalentContact SG-SG 2.03Å; C523-C536 PolarHBondContact SG-SG 3.2Å; C536-G538 VanDerWaalsContact CB-O 3.25Å; C536-G538 WeakPolarHBondContact CB-O 3.34Å; C536-G538 PolarHBondContact SG-O 3.42Å; C536-Q543 CarbonylContact C-O 3.5Å; C536-Q543 WeakPolarHBondContact CA-O 3.03Å; C536-Q543 WeakPolarHBondContact CB-O 3.4Å
537	W	89	Confident	82.5	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.277	C	S	.	.	S	Bend	trans	-78	-24.7	168	-62.7	91	0	0	0	112.3	M196 T197 F199 Y217 T218 L222 W224 M227 Q543	M196-W537 HydrophobicContact CB-CE3 4.19Å; M196-W537 HydrophobicContact CB-CH2 3.71Å; M196-W537 HydrophobicContact CB-CZ2 4.15Å; M196-W537 HydrophobicContact CB-CZ3 3.69Å; M196-W537 HydrophobicContact CE-CH2 3.81Å; M196-W537 HydrophobicContact CE-CZ3 3.64Å; M196-W537 HydrophobicContact CG-CH2 4.36Å; M196-W537 HydrophobicContact CG-CZ3 3.97Å; M196-W537 WeakPolarHBondContact O-CZ2 3.33Å; M196-W537 PolarHBondContact O-NE1 2.8Å; T197-W537 HydrophobicContact CG2-CB 4.48Å; T197-W537 HydrophobicContact CG2-CG 4.28Å; F199-W537 HydrophobicContact CB-CH2 4.21Å; F199-W537 HydrophobicContact CB-CZ2 3.91Å; F199-W537 HydrophobicContact CD1-CH2 4.38Å; Y217-W537 WeakPolarHBondContact CB-O 3.45Å; T218-W537 HydrophobicContact CG2-CD2 4.43Å; T218-W537 HydrophobicContact CG2-CE3 3.33Å; T218-W537 HydrophobicContact CG2-CZ3 3.57Å; L222-W537 HydrophobicContact CD1-CD2 3.85Å; L222-W537 HydrophobicContact CD1-CE3 3.67Å; L222-W537 HydrophobicContact CD1-CH2 3.52Å; L222-W537 HydrophobicContact CD1-CZ2 3.78Å; L222-W537 HydrophobicContact CD1-CZ3 3.49Å; L222-W537 VanDerWaalsContact CD1-CZ3 3.49Å; L222-W537 HydrophobicContact CD2-CD2 4.01Å; L222-W537 HydrophobicContact CD2-CG 4.12Å; L222-W537 HydrophobicContact CD2-CZ2 4.26Å; W224-W537 HydrophobicContact CH2-CH2 4.04Å; W224-W537 HydrophobicContact CH2-CZ3 4.31Å; W224-W537 HydrophobicContact CZ3-CH2 4.35Å; M227-W537 HydrophobicContact CE-CH2 4.33Å; M227-W537 HydrophobicContact CE-CZ2 3.59Å; M227-W537 HydrophobicContact SD-CH2 4.49Å; M227-W537 HydrophobicContact SD-CZ2 4.19Å; W537-Q543 HydrophobicContact CB-CB 4.42Å; W537-Q543 PolarHBondContact N-O 2.87Å
538	G	87.9	Confident	82.1	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.01	29%	0.291	C	S	.	.	S	Bend	trans	-170.4	-177.4	-177.9	0	0	0	0	0	112	C536 G540 Q543	C536-G538 VanDerWaalsContact CB-O 3.25Å; C536-G538 WeakPolarHBondContact CB-O 3.34Å; C536-G538 PolarHBondContact SG-O 3.42Å; G538-G540 VanDerWaalsContact C-N 3.25Å; G538-G540 PolarHBondContact O-N 3.34Å; G538-Q543 VanDerWaalsContact CA-OE1 3.22Å
539	P	84.9	Confident	82.1	Confident	62 Å²	62	54 Å²	54	40%	0.403	28%	0.283	S	S	.	.	S	Bend	trans	-71	-12.2	-174.6	29	-35.5	0	0	0	115.2	Q543	P539-Q543 VanDerWaalsContact CD-OE1 3.28Å; P539-Q543 VanDerWaalsContact N-OE1 3.15Å
540	G	82.5	Confident	82	Confident	18 Å²	18	48.8 Å²	48.8	19%	0.186	26%	0.255	C	S	.	.	S	Bend	trans	-69.7	162.8	-177.3	0	0	0	0	0	115.3	H524 G538	H524-G540 WeakPolarHBondContact CB-O 3.44Å; G538-G540 VanDerWaalsContact C-N 3.25Å; G538-G540 PolarHBondContact O-N 3.34Å
541	R	85.2	Confident	81.9	Confident	184 Å²	184	49.8 Å²	49.8	69%	0.694	26%	0.26	S	S	*	.	S	Bend	trans	-76.4	-34.2	177.6	177.5	179.7	173.5	-164.2	-3.1	112.5	C544	R541-C544 PolarHBondContact O-SG 2.03Å
542	D	85.3	Confident	81.6	Confident	126 Å²	126	49 Å²	49	67%	0.674	26%	0.259	S	S	*	.	S	Bend	trans	-73.7	-30	170.9	57.6	-38.7	0	0	0	112.3	C544	D542-C544 PolarHBondContact O-N 3.14Å
543	Q	88.5	Confident	80.8	Confident	22 Å²	22	51.2 Å²	51.2	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	-78.3	10.8	178.4	-61.4	-179.3	-37.6	0	0	114.3	E195 C536 W537 G538 P539	E195-Q543 VanDerWaalsContact CD-NE2 3.31Å; E195-Q543 PolarHBondContact OE1-NE2 3.48Å; C536-Q543 CarbonylContact C-O 3.5Å; C536-Q543 WeakPolarHBondContact CA-O 3.03Å; C536-Q543 WeakPolarHBondContact CB-O 3.4Å; W537-Q543 HydrophobicContact CB-CB 4.42Å; W537-Q543 PolarHBondContact N-O 2.87Å; G538-Q543 VanDerWaalsContact CA-OE1 3.22Å; P539-Q543 VanDerWaalsContact CD-OE1 3.28Å; P539-Q543 VanDerWaalsContact N-OE1 3.15Å
544	C	89.3	Confident	79.9	Confident	23 Å²	23	50.6 Å²	50.6	16%	0.155	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-69.2	147.9	176.3	-64	0	0	0	0	112.5	C527 R541 D542	C527-C544 WeakPolarHBondContact CA-SG 3.46Å; C527-C544 HydrophobicContact CB-CB 3.68Å; C527-C544 WeakPolarHBondContact CB-SG 3.37Å; C527-C544 PolarHBondContact N-SG 3.21Å; C527-C544 VanDerWaalsContact N-SG 3.43Å; C527-C544 WeakPolarHBondContact SG-CA 3.43Å; C527-C544 WeakPolarHBondContact SG-CB 3.06Å; C527-C544 CovalentContact SG-SG 2.04Å; C527-C544 PolarHBondContact SG-SG 2.73Å; R541-C544 PolarHBondContact O-SG 2.03Å; D542-C544 PolarHBondContact O-N 3.14Å
545	Q	88.6	Confident	78.8	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.023	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-69.2	131.6	175.2	171.8	171.2	-6.3	0	0	111.6	L222 K223 M227 Y535 V547	L222-Q545 HydrophobicContact CD2-CB 4.01Å; L222-Q545 HydrophobicContact CD2-CG 4.43Å; K223-Q545 PolarHBondContact O-NE2 2.77Å; M227-Q545 VanDerWaalsContact CE-CD 3.46Å; M227-Q545 HydrophobicContact CE-CG 3.75Å; Y535-Q545 PolarHBondContact O-N 3.1Å; Y535-Q545 VanDerWaalsContact O-N 3.09Å; Q545-V547 HydrophobicContact CG-CG2 4.34Å
546	A	81.4	Confident	77	Confident	33 Å²	33	51.4 Å²	51.4	27%	0.273	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-72.1	141.6	167	0	0	0	0	0	111.3
547	V	76.9	Confident	75.7	Confident	21 Å²	21	54.3 Å²	54.3	13%	0.127	29%	0.288	C	S	.	.			trans	-134.1	103.7	-173.6	-179.5	0	0	0	0	110	P528 I530 Q545 Q551	P528-V547 HydrophobicContact CB-CG2 4.17Å; P528-V547 HydrophobicContact CG-CG2 3.98Å; I530-V547 HydrophobicContact CD1-CG1 4.17Å; I530-V547 HydrophobicContact CD1-CG2 4.09Å; Q545-V547 HydrophobicContact CG-CG2 4.34Å; V547-Q551 HydrophobicContact CG1-CG 4.24Å
548	H	79.5	Confident	74.4	Confident	64 Å²	64	54.6 Å²	54.6	30%	0.296	29%	0.289	S	S	.	.			trans	-112.6	-16.5	-174.1	-67.8	-90.2	0	0	0	114.5	I200 W560 C561 A596	I200-H548 HydrophobicContact CG2-CB 3.92Å; H548-W560 HydrophobicContact CB-CE3 3.85Å; H548-W560 HydrophobicContact CB-CZ3 4.12Å; H548-C561 PolarHBondContact O-N 3.06Å; H548-A596 VanDerWaalsContact CB-O 3.31Å; H548-A596 WeakPolarHBondContact CB-O 3.31Å
549	K	78.7	Confident	73.8	Confident	25 Å²	25	56 Å²	56	11%	0.109	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-68.2	147.2	168.9	-66.8	-166.8	-179.8	180	0	110.5	D225 I228 Q551 N559 W560	D225-K549 PolarHBondContact O-NZ 2.79Å; I228-K549 WeakPolarHBondContact O-CE 3.42Å; I228-K549 PolarHBondContact O-NZ 2.77Å; K549-Q551 PolarHBondContact O-N 3.36Å; K549-N559 WeakPolarHBondContact CA-O 3.43Å; K549-W560 HydrophobicContact CB-CE3 4.34Å; K549-W560 HydrophobicContact CB-CZ3 4.36Å; K549-W560 HydrophobicContact CD-CH2 4.39Å; K549-W560 HydrophobicContact CD-CZ3 4.38Å; K549-W560 HydrophobicContact CG-CD2 4.25Å; K549-W560 HydrophobicContact CG-CE3 3.56Å; K549-W560 HydrophobicContact CG-CH2 3.77Å; K549-W560 HydrophobicContact CG-CZ2 4.39Å; K549-W560 HydrophobicContact CG-CZ3 3.32Å
550	C	76.2	Confident	73.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.			trans	-60	130.5	174.3	-49.9	0	0	0	0	110.6	R553 C555 N559 W560 C561 R1165	C550-R553 HydrophobicContact CB-CB 4.21Å; C550-R553 WeakPolarHBondContact CB-O 3.31Å; C550-C555 PolarHBondContact SG-SG 3.43Å; C550-N559 PolarHBondContact N-O 3.38Å; C550-N559 VanDerWaalsContact N-O 3.08Å; C550-N559 PolarHBondContact SG-O 3.18Å; C550-N559 VanDerWaalsContact SG-O 3.41Å; C550-W560 VanDerWaalsContact SG-C 3.5Å; C550-C561 HydrophobicContact CB-CB 3.89Å; C550-C561 WeakPolarHBondContact CB-SG 3.47Å; C550-C561 WeakPolarHBondContact SG-CB 3.36Å; C550-C561 CovalentContact SG-SG 2.03Å; C550-C561 PolarHBondContact SG-SG 3.23Å; C550-R1165 PolarHBondContact O-NH2 3.33Å
551	Q	68.5	Low	73.7	Confident	42 Å²	42	52.6 Å²	52.6	20%	0.196	27%	0.272	C	S	.	.	S	Bend	trans	-97.9	-30.9	179.9	-69.5	-60.7	-38.9	0	0	112.7	E226 V547 K549 E587 R1165	E226-Q551 PolarHBondContact OE1-NE2 3.13Å; E226-Q551 PolarHBondContact OE2-NE2 3.06Å; V547-Q551 HydrophobicContact CG1-CG 4.24Å; K549-Q551 PolarHBondContact O-N 3.36Å; Q551-E587 PolarHBondContact N-OE1 3.39Å; Q551-E587 PolarHBondContact N-OE2 2.66Å; Q551-R1165 PolarHBondContact O-NH1 2.85Å
552	I	60	Low	73.7	Confident	134 Å²	134	45.6 Å²	45.6	69%	0.687	25%	0.246	S	C	*	.	S	Bend	trans	-116.3	-31.8	-177.5	-52.8	175.8	0	0	0	110.3	E587	I552-E587 PolarHBondContact N-OE2 3.47Å
553	R	53.8	Low	73.3	Confident	114 Å²	114	45.1 Å²	45.1	43%	0.43	24%	0.235	S	C	.	.			trans	-93.5	159.2	-179.8	-161.9	165.5	-175.6	167.5	-0.1	112.3	C550 E587	C550-R553 HydrophobicContact CB-CB 4.21Å; C550-R553 WeakPolarHBondContact CB-O 3.31Å; R553-E587 HydrophobicContact CB-CB 4.17Å; R553-E587 VanDerWaalsContact CD-O 3.25Å; R553-E587 WeakPolarHBondContact CD-O 3.33Å; R553-E587 PolarHBondContact N-OE2 3.16Å; R553-E587 PolarHBondContact NH1-O 2.74Å
554	L	58.5	Low	72.1	Confident	76 Å²	76	46 Å²	46	40%	0.398	24%	0.241	S	C	.	.			trans	-123.1	147.3	166.5	-84.5	149.7	0	0	0	108.9	N559 N1161 L1226	L554-N559 WeakPolarHBondContact CA-OD1 3.2Å; L554-N1161 WeakPolarHBondContact CD1-ND2 3.29Å; L554-L1226 HydrophobicContact CB-CD1 4.42Å
555	C	61.5	Low	70.1	Confident	16 Å²	16	54.4 Å²	54.4	11%	0.108	28%	0.276	C	S	.	.			trans	-128.8	154	-173.7	-59.1	0	0	0	0	111.5	C550 N559 C589	C550-C555 PolarHBondContact SG-SG 3.43Å; C555-N559 PolarHBondContact N-OD1 3.27Å; C555-N559 VanDerWaalsContact N-OD1 3.07Å; C555-C589 VanDerWaalsContact CA-SG 3.58Å; C555-C589 HydrophobicContact CB-CB 3.71Å; C555-C589 WeakPolarHBondContact CB-SG 3.36Å; C555-C589 WeakPolarHBondContact SG-CA 3.49Å; C555-C589 WeakPolarHBondContact SG-CB 3.22Å; C555-C589 CovalentContact SG-SG 2.03Å; C555-C589 PolarHBondContact SG-SG 3.14Å
556	E	50.6	Low	67.9	Low	112 Å²	112	56.8 Å²	56.8	52%	0.523	29%	0.293	S	S	.	.	S	Bend	trans	-76.6	123	170.8	-71.9	-165.6	-174.8	0	0	109.7	K1130	E556-K1130 IonicContact OE1-NZ 2.67Å; E556-K1130 PolarHBondContact OE1-NZ 3.46Å; E556-K1130 IonicContact OE2-NZ 2.7Å; E556-K1130 PolarHBondContact OE2-NZ 2.84Å
557	G	62.4	Low	65.6	Low	62 Å²	62	62.8 Å²	62.8	64%	0.639	32%	0.32	S	S	*	.	S	Bend	trans	87.9	-136.7	-176.5	0	0	0	0	0	112.5	N559	G557-N559 PolarHBondContact O-N 2.8Å
558	S	63.2	Low	63.3	Low	6 Å²	6	71 Å²	71	4%	0.042	36%	0.357	C	S	.	.	S	Bend	trans	-64.8	120.2	-177.7	63.9	0	0	0	0	111.5	E229 W560 H591 S592 C594	E229-S558 WeakPolarHBondContact OE1-CB 3.18Å; S558-W560 PolarHBondContact O-N 3.22Å; S558-H591 PolarHBondContact OG-O 3.42Å; S558-S592 PolarHBondContact OG-O 3.06Å; S558-S592 VanDerWaalsContact OG-O 3.13Å; S558-C594 VanDerWaalsContact CB-O 3.31Å; S558-C594 WeakPolarHBondContact CB-O 3.36Å; S558-C594 PolarHBondContact OG-O 3.21Å
559	N	75	Confident	61.1	Low	31 Å²	31	77.8 Å²	77.8	17%	0.166	38%	0.382	C	S	.	.			trans	-82.9	43.3	-166.4	-166.3	61.1	0	0	0	113.8	K549 C550 L554 C555 G557	K549-N559 WeakPolarHBondContact CA-O 3.43Å; C550-N559 PolarHBondContact N-O 3.38Å; C550-N559 VanDerWaalsContact N-O 3.08Å; C550-N559 PolarHBondContact SG-O 3.18Å; C550-N559 VanDerWaalsContact SG-O 3.41Å; L554-N559 WeakPolarHBondContact CA-OD1 3.2Å; C555-N559 PolarHBondContact N-OD1 3.27Å; C555-N559 VanDerWaalsContact N-OD1 3.07Å; G557-N559 PolarHBondContact O-N 2.8Å
560	W	83.6	Confident	58.7	Low	1 Å²	1	87.4 Å²	87.4	0%	0.004	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-92.2	141.9	178.6	-54.5	105.3	0	0	0	111.2	I200 E226 E229 H548 K549 C550 S558 C590 A596	I200-W560 HydrophobicContact CG2-CZ3 4.3Å; E226-W560 WeakPolarHBondContact O-CH2 3.39Å; E229-W560 PolarHBondContact OE1-NE1 3.18Å; E229-W560 WeakPolarHBondContact OE2-CZ2 3.47Å; E229-W560 PolarHBondContact OE2-NE1 3.19Å; H548-W560 HydrophobicContact CB-CE3 3.85Å; H548-W560 HydrophobicContact CB-CZ3 4.12Å; K549-W560 HydrophobicContact CB-CE3 4.34Å; K549-W560 HydrophobicContact CB-CZ3 4.36Å; K549-W560 HydrophobicContact CD-CH2 4.39Å; K549-W560 HydrophobicContact CD-CZ3 4.38Å; K549-W560 HydrophobicContact CG-CD2 4.25Å; K549-W560 HydrophobicContact CG-CE3 3.56Å; K549-W560 HydrophobicContact CG-CH2 3.77Å; K549-W560 HydrophobicContact CG-CZ2 4.39Å; K549-W560 HydrophobicContact CG-CZ3 3.32Å; C550-W560 VanDerWaalsContact SG-C 3.5Å; S558-W560 PolarHBondContact O-N 3.22Å; W560-C590 VanDerWaalsContact C-SG 3.6Å; W560-C590 HydrophobicContact CB-CB 4.11Å; W560-C590 PolarHBondContact O-N 2.8Å; W560-C590 PolarHBondContact O-SG 2.03Å; W560-C590 VanDerWaalsContact O-SG 3.38Å; W560-A596 VanDerWaalsContact CD2-O 3.29Å; W560-A596 VanDerWaalsContact CE2-CA 3.5Å; W560-A596 WeakPolarHBondContact CZ3-O 3.37Å
561	C	81.1	Confident	56.4	Low	8 Å²	8	96.3 Å²	96.3	5%	0.054	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.9	178.2	-84.4	0	0	0	0	112	H548 C550 E587 Q588	H548-C561 PolarHBondContact O-N 3.06Å; C550-C561 HydrophobicContact CB-CB 3.89Å; C550-C561 WeakPolarHBondContact CB-SG 3.47Å; C550-C561 WeakPolarHBondContact SG-CB 3.36Å; C550-C561 CovalentContact SG-SG 2.03Å; C550-C561 PolarHBondContact SG-SG 3.23Å; C561-E587 HydrophobicContact CB-CB 4.2Å; C561-Q588 CarbonylContact C-O 3.48Å; C561-Q588 WeakPolarHBondContact CA-O 3.47Å; C561-Q588 WeakPolarHBondContact CB-O 3.45Å
562	F	85	Confident	54.4	Low	36 Å²	36	103.8 Å²	103.8	16%	0.158	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150	158.8	70.8	-77.8	0	0	0	110	T564 Q588	F562-T564 HydrophobicContact CD2-CG2 4.05Å; F562-T564 HydrophobicContact CE2-CG2 3.77Å; F562-Q588 HydrophobicContact CD1-CB 3.93Å; F562-Q588 VanDerWaalsContact CD1-O 3.24Å; F562-Q588 WeakPolarHBondContact CD1-O 3.4Å; F562-Q588 HydrophobicContact CD2-CB 4.47Å; F562-Q588 HydrophobicContact CE1-CB 3.42Å; F562-Q588 VanDerWaalsContact CE1-CB 3.42Å; F562-Q588 HydrophobicContact CE2-CB 4.03Å; F562-Q588 HydrophobicContact CG-CB 4.43Å; F562-Q588 HydrophobicContact CZ-CB 3.47Å; F562-Q588 VanDerWaalsContact CZ-CB 3.47Å; F562-Q588 HydrophobicContact CZ-CG 4.22Å; F562-Q588 PolarHBondContact N-O 3.04Å; F562-Q588 PolarHBondContact O-N 2.74Å
563	R	76.7	Confident	52.8	Low	117 Å²	117	104.9 Å²	104.9	44%	0.442	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.9	-176.5	-72.8	-174	174.4	134.2	6.3	111.1	E587	R563-E587 HydrophobicContact CG-CG 4.27Å; R563-E587 IonicContact CZ-OE1 3.41Å; R563-E587 IonicContact NE-OE1 2.66Å; R563-E587 PolarHBondContact NE-OE1 3.08Å; R563-E587 IonicContact NH2-OE1 2.9Å; R563-E587 PolarHBondContact NH2-OE1 3.45Å
564	T	63	Low	51.7	Low	39 Å²	39	107.5 Å²	107.5	24%	0.239	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.2	174.3	55.9	0	0	0	0	110.9	F562 K586 Q588	F562-T564 HydrophobicContact CD2-CG2 4.05Å; F562-T564 HydrophobicContact CE2-CG2 3.77Å; T564-K586 PolarHBondContact N-O 3.39Å; T564-K586 PolarHBondContact O-N 2.74Å; T564-K586 PolarHBondContact OG1-O 3.02Å; T564-Q588 HydrophobicContact CG2-CG 4.45Å; T564-Q588 PolarHBondContact OG1-NE2 2.61Å
565	K	47.1	Very low	50.1	Low	201 Å²	201	110.5 Å²	110.5	87%	0.874	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	135.1	169.9	-71.6	-177.9	176.6	-179.5	0	108.8
566	S	43	Very low	48.5	Very low	55 Å²	55	119.1 Å²	119.1	39%	0.385	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-84.7	133.9	175.5	55.5	0	0	0	0	111.3	S584	S566-S584 PolarHBondContact OG-O 3.17Å
567	N	32.5	Very low	47.4	Very low	159 Å²	159	124.4 Å²	124.4	85%	0.85	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-65.1	136.1	176.3	-76.8	-3.3	0	0	0	112.5	Y569	N567-Y569 PolarHBondContact O-N 2.98Å
568	E	29.3	Very low	45.6	Very low	193 Å²	193	131 Å²	131	90%	0.902	60%	0.602	S	S	*	*	S	Bend	trans	-78.1	74.1	-178.3	-61.7	178.8	115.3	0	0	112.4
569	Y	34	Very low	43.8	Very low	206 Å²	206	139.1 Å²	139.1	81%	0.808	64%	0.642	S	S	*	*			trans	-136	4.7	177.4	-128.8	-93.4	0	0	0	116.8	N567	N567-Y569 PolarHBondContact O-N 2.98Å
570	Y	28	Very low	41.6	Very low	227 Å²	227	145 Å²	145	89%	0.89	67%	0.673	S	S	*	*			trans	-135.9	63.4	177.6	-87.2	-87.7	0	0	0	112.6
571	Q	27.3	Very low	38.9	Very low	188 Å²	188	154.6 Å²	154.6	88%	0.879	72%	0.715	S	S	*	*			trans	-135.6	65.3	165.4	-76.5	-160.7	-3	0	0	112.6
572	K	26.3	Very low	36.8	Very low	198 Å²	198	161.6 Å²	161.6	86%	0.861	75%	0.751	S	S	*	*			trans	-136.4	140.6	155.7	-87.6	-178.5	177.2	169.3	0	109.1
573	N	27.5	Very low	34.4	Very low	157 Å²	157	165.5 Å²	165.5	84%	0.84	78%	0.777	S	S	*	*	S	Bend	trans	72.7	80.8	-179.6	-52.3	-15	0	0	0	116.6
574	L	29.4	Very low	32.5	Very low	170 Å²	170	164.1 Å²	164.1	89%	0.89	79%	0.786	S	S	*	*			trans	-168.6	92.2	131.3	-106.8	164.1	0	0	0	110.3
575	T	25.8	Very low	32.1	Very low	138 Å²	138	164.5 Å²	164.5	85%	0.847	79%	0.79	S	S	*	*			trans	-109.9	74.7	-179.8	50.7	0	0	0	0	111.5
576	Y	27.4	Very low	32.7	Very low	197 Å²	197	161.8 Å²	161.8	77%	0.773	78%	0.778	S	S	*	*			trans	-156.1	152.8	156.6	-133.6	-103.4	0	0	0	109.6
577	Y	27.9	Very low	34.1	Very low	223 Å²	223	159.9 Å²	159.9	88%	0.875	76%	0.763	S	S	*	*			trans	69.4	146.5	-165.7	-61.3	-85.2	0	0	0	115.5
578	K	24.8	Very low	36.2	Very low	200 Å²	200	155.6 Å²	155.6	87%	0.87	74%	0.738	S	S	*	*			trans	-143.2	153.6	-168	-133.7	-178	-175.7	-176.2	0	108.2
579	M	26	Very low	38.7	Very low	178 Å²	178	147.8 Å²	147.8	88%	0.877	71%	0.705	S	S	*	*			trans	70.2	119.8	-174.6	-60.9	172.6	163.8	0	0	113
580	N	28.7	Very low	41.2	Very low	155 Å²	155	138.4 Å²	138.4	83%	0.829	67%	0.669	S	S	*	*			cis	-136.6	162.2	14.3	-78.8	-37.8	0	0	0	112.9
581	F	27.3	Very low	44	Very low	202 Å²	202	130.6 Å²	130.6	89%	0.886	64%	0.641	S	S	*	*			trans	-90.5	132.6	-179.5	-93.5	-103	0	0	0	113.3
582	I	35	Very low	46.6	Very low	154 Å²	154	123.6 Å²	123.6	79%	0.79	61%	0.612	S	S	*	*			trans	-131.9	143.5	153.5	-63.6	-178	0	0	0	107.1
583	T	36.6	Very low	49.5	Very low	118 Å²	118	115 Å²	115	72%	0.724	58%	0.575	S	S	*	*			trans	-83	145.8	-166.6	45	0	0	0	0	114.5	S585	T583-S585 PolarHBondContact O-N 3.19Å; T583-S585 VanDerWaalsContact O-N 3.12Å
584	S	35.8	Very low	52.3	Low	88 Å²	88	107.5 Å²	107.5	62%	0.615	54%	0.535	S	S	*	.			trans	-81.7	84.5	-174.6	58.1	0	0	0	0	113	S566	S566-S584 PolarHBondContact OG-O 3.17Å
585	S	53.7	Low	54.7	Low	47 Å²	47	99.4 Å²	99.4	33%	0.329	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.9	163.7	71.6	0	0	0	0	110.1	T583	T583-S585 PolarHBondContact O-N 3.19Å; T583-S585 VanDerWaalsContact O-N 3.12Å
586	K	60.4	Low	57	Low	145 Å²	145	93 Å²	93	63%	0.63	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.3	106.4	-174.1	-161.4	173.8	-174	179.4	0	109.3	T564	T564-K586 PolarHBondContact N-O 3.39Å; T564-K586 PolarHBondContact O-N 2.74Å; T564-K586 PolarHBondContact OG1-O 3.02Å
587	E	71.9	Confident	59.6	Low	14 Å²	14	83.9 Å²	83.9	7%	0.065	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.7	-179.5	-55.2	-164.1	135.7	0	0	111.2	Q551 I552 R553 C561 R563	Q551-E587 PolarHBondContact N-OE1 3.39Å; Q551-E587 PolarHBondContact N-OE2 2.66Å; I552-E587 PolarHBondContact N-OE2 3.47Å; R553-E587 HydrophobicContact CB-CB 4.17Å; R553-E587 VanDerWaalsContact CD-O 3.25Å; R553-E587 WeakPolarHBondContact CD-O 3.33Å; R553-E587 PolarHBondContact N-OE2 3.16Å; R553-E587 PolarHBondContact NH1-O 2.74Å; C561-E587 HydrophobicContact CB-CB 4.2Å; R563-E587 HydrophobicContact CG-CG 4.27Å; R563-E587 IonicContact CZ-OE1 3.41Å; R563-E587 IonicContact NE-OE1 2.66Å; R563-E587 PolarHBondContact NE-OE1 3.08Å; R563-E587 IonicContact NH2-OE1 2.9Å; R563-E587 PolarHBondContact NH2-OE1 3.45Å
588	Q	77.8	Confident	62.4	Low	69 Å²	69	73.7 Å²	73.7	32%	0.322	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139	177.3	-61.7	-165.4	33.8	0	0	110.3	C561 F562 T564	C561-Q588 CarbonylContact C-O 3.48Å; C561-Q588 WeakPolarHBondContact CA-O 3.47Å; C561-Q588 WeakPolarHBondContact CB-O 3.45Å; F562-Q588 HydrophobicContact CD1-CB 3.93Å; F562-Q588 VanDerWaalsContact CD1-O 3.24Å; F562-Q588 WeakPolarHBondContact CD1-O 3.4Å; F562-Q588 HydrophobicContact CD2-CB 4.47Å; F562-Q588 HydrophobicContact CE1-CB 3.42Å; F562-Q588 VanDerWaalsContact CE1-CB 3.42Å; F562-Q588 HydrophobicContact CE2-CB 4.03Å; F562-Q588 HydrophobicContact CG-CB 4.43Å; F562-Q588 HydrophobicContact CZ-CB 3.47Å; F562-Q588 VanDerWaalsContact CZ-CB 3.47Å; F562-Q588 HydrophobicContact CZ-CG 4.22Å; F562-Q588 PolarHBondContact N-O 3.04Å; F562-Q588 PolarHBondContact O-N 2.74Å; T564-Q588 HydrophobicContact CG2-CG 4.45Å; T564-Q588 PolarHBondContact OG1-NE2 2.61Å
589	C	81.3	Confident	65.4	Low	30 Å²	30	72.3 Å²	72.3	20%	0.203	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	146.2	-174.3	-64.3	0	0	0	0	112.9	C555	C555-C589 VanDerWaalsContact CA-SG 3.58Å; C555-C589 HydrophobicContact CB-CB 3.71Å; C555-C589 WeakPolarHBondContact CB-SG 3.36Å; C555-C589 WeakPolarHBondContact SG-CA 3.49Å; C555-C589 WeakPolarHBondContact SG-CB 3.22Å; C555-C589 CovalentContact SG-SG 2.03Å; C555-C589 PolarHBondContact SG-SG 3.14Å
590	C	85.9	Confident	68.3	Low	9 Å²	9	64.1 Å²	64.1	6%	0.061	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-75.1	172.6	162.3	-61.1	0	0	0	0	111.9	W560 C594 C598	W560-C590 VanDerWaalsContact C-SG 3.6Å; W560-C590 HydrophobicContact CB-CB 4.11Å; W560-C590 PolarHBondContact O-N 2.8Å; W560-C590 PolarHBondContact O-SG 2.03Å; W560-C590 VanDerWaalsContact O-SG 3.38Å; C590-C594 HydrophobicContact CB-CB 3.97Å; C590-C598 WeakPolarHBondContact CA-SG 3.47Å; C590-C598 HydrophobicContact CB-CB 3.7Å; C590-C598 WeakPolarHBondContact CB-SG 3.36Å; C590-C598 WeakPolarHBondContact SG-CB 3.46Å; C590-C598 PolarHBondContact SG-N 3.03Å; C590-C598 CovalentContact SG-SG 2.03Å; C590-C598 PolarHBondContact SG-SG 2.59Å
591	H	86.5	Confident	70.8	Confident	63 Å²	63	60.1 Å²	60.1	29%	0.292	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74.4	150.8	168.1	-169.7	-99.1	0	0	0	110.9	S558 E593 C594	S558-H591 PolarHBondContact OG-O 3.42Å; H591-E593 PolarHBondContact ND1-N 2.85Å; H591-E593 PolarHBondContact O-N 3.02Å; H591-C594 PolarHBondContact N-SG 3.46Å; H591-C594 VanDerWaalsContact N-SG 3.4Å; H591-C594 VanDerWaalsContact O-CB 3.23Å; H591-C594 WeakPolarHBondContact O-CB 3.29Å; H591-C594 PolarHBondContact O-N 3.45Å; H591-C594 PolarHBondContact O-SG 3.26Å; H591-C594 VanDerWaalsContact O-SG 3.32Å
592	S	82.3	Confident	73.5	Confident	40 Å²	40	57.3 Å²	57.3	28%	0.28	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-33.2	-176.4	64	0	0	0	0	114.1	S558 C594	S558-S592 PolarHBondContact OG-O 3.06Å; S558-S592 VanDerWaalsContact OG-O 3.13Å; S592-C594 VanDerWaalsContact C-N 3.28Å; S592-C594 PolarHBondContact O-N 3.1Å
593	E	87	Confident	75.8	Confident	18 Å²	18	50.8 Å²	50.8	8%	0.084	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	6.4	177.5	-54.4	-48	120.6	0	0	114	H591 L610 R611 C618	H591-E593 PolarHBondContact ND1-N 2.85Å; H591-E593 PolarHBondContact O-N 3.02Å; E593-L610 WeakPolarHBondContact O-CB 3.22Å; E593-L610 PolarHBondContact O-N 2.99Å; E593-R611 IonicContact OE1-CZ 3.75Å; E593-R611 IonicContact OE1-NH2 2.7Å; E593-R611 PolarHBondContact OE1-NH2 2.92Å; E593-R611 IonicContact OE2-CZ 3.79Å; E593-R611 VanDerWaalsContact OE2-CZ 3.24Å; E593-R611 IonicContact OE2-NE 3.38Å; E593-R611 PolarHBondContact OE2-NE 3.1Å; E593-R611 IonicContact OE2-NH2 3.14Å; E593-R611 PolarHBondContact OE2-NH2 3.07Å; E593-C618 HydrophobicContact CB-CB 3.74Å; E593-C618 WeakPolarHBondContact O-CB 3.32Å
594	C	86.8	Confident	78.2	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.9	168.5	-58.2	0	0	0	0	110.2	S558 C590 H591 S592 C606	S558-C594 VanDerWaalsContact CB-O 3.31Å; S558-C594 WeakPolarHBondContact CB-O 3.36Å; S558-C594 PolarHBondContact OG-O 3.21Å; C590-C594 HydrophobicContact CB-CB 3.97Å; H591-C594 PolarHBondContact N-SG 3.46Å; H591-C594 VanDerWaalsContact N-SG 3.4Å; H591-C594 VanDerWaalsContact O-CB 3.23Å; H591-C594 WeakPolarHBondContact O-CB 3.29Å; H591-C594 PolarHBondContact O-N 3.45Å; H591-C594 PolarHBondContact O-SG 3.26Å; H591-C594 VanDerWaalsContact O-SG 3.32Å; S592-C594 VanDerWaalsContact C-N 3.28Å; S592-C594 PolarHBondContact O-N 3.1Å; C594-C606 WeakPolarHBondContact CA-SG 3.47Å; C594-C606 HydrophobicContact CB-CB 3.58Å; C594-C606 WeakPolarHBondContact CB-SG 3.06Å; C594-C606 PolarHBondContact N-SG 2.82Å; C594-C606 WeakPolarHBondContact SG-CA 3.06Å; C594-C606 WeakPolarHBondContact SG-CB 3.46Å; C594-C606 CovalentContact SG-SG 2.03Å; C594-C606 PolarHBondContact SG-SG 3.43Å
595	A	79.8	Confident	80.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.1	162.5	0	0	0	0	0	110.2	V203 S597 A608 L610	V203-A595 HydrophobicContact CG2-CB 4.15Å; A595-S597 PolarHBondContact O-N 2.84Å; A595-A608 HydrophobicContact CB-CB 4.25Å; A595-A608 PolarHBondContact N-O 2.86Å; A595-L610 HydrophobicContact CB-CB 4.45Å; A595-L610 HydrophobicContact CB-CD1 4.39Å
596	A	74	Confident	82.4	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.025	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	-44.2	169.1	0	0	0	0	0	118.1	L137 I200 H548 W560	L137-A596 HydrophobicContact CD1-CB 3.69Å; I200-A596 HydrophobicContact CB-CB 3.91Å; I200-A596 HydrophobicContact CG2-CB 3.7Å; I200-A596 VanDerWaalsContact CG2-O 3.23Å; I200-A596 WeakPolarHBondContact CG2-O 3.04Å; H548-A596 VanDerWaalsContact CB-O 3.31Å; H548-A596 WeakPolarHBondContact CB-O 3.31Å; W560-A596 VanDerWaalsContact CD2-O 3.29Å; W560-A596 VanDerWaalsContact CE2-CA 3.5Å; W560-A596 WeakPolarHBondContact CZ3-O 3.37Å
597	S	81.6	Confident	83.4	Confident	5 Å²	5	43.2 Å²	43.2	4%	0.035	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	168.4	178.3	50.1	0	0	0	0	112.4	A595 N607	A595-S597 PolarHBondContact O-N 2.84Å; S597-N607 VanDerWaalsContact O-CB 3.28Å; S597-N607 WeakPolarHBondContact O-CB 3.32Å; S597-N607 PolarHBondContact O-N 2.66Å; S597-N607 VanDerWaalsContact OG-CB 3.28Å; S597-N607 WeakPolarHBondContact OG-CB 3.46Å; S597-N607 PolarHBondContact OG-ND2 2.96Å
598	C	87.9	Confident	83.9	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.061	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	165.1	173.2	65	0	0	0	0	110.5	C590 G600 D605	C590-C598 WeakPolarHBondContact CA-SG 3.47Å; C590-C598 HydrophobicContact CB-CB 3.7Å; C590-C598 WeakPolarHBondContact CB-SG 3.36Å; C590-C598 WeakPolarHBondContact SG-CB 3.46Å; C590-C598 PolarHBondContact SG-N 3.03Å; C590-C598 CovalentContact SG-SG 2.03Å; C590-C598 PolarHBondContact SG-SG 2.59Å; C598-G600 WeakPolarHBondContact CB-O 3.32Å; C598-G600 PolarHBondContact SG-O 3.22Å; C598-D605 WeakPolarHBondContact CA-O 3.37Å; C598-D605 WeakPolarHBondContact CB-O 3.01Å
599	Y	87.6	Confident	84.2	Confident	171 Å²	171	39.7 Å²	39.7	67%	0.671	19%	0.192	S	C	*	.	S	Bend	trans	-103.2	-5.4	171.4	-56.1	-77.3	0	0	0	112.3	D605 N607	Y599-D605 PolarHBondContact N-O 2.9Å; Y599-N607 HydrophobicContact CE2-CB 4.04Å
600	G	85.4	Confident	84.2	Confident	6 Å²	6	40 Å²	40	6%	0.062	19%	0.192	C	C	.	.	S	Bend	trans	-171.4	177.8	-177.6	0	0	0	0	0	112	C598 D605	C598-G600 WeakPolarHBondContact CB-O 3.32Å; C598-G600 PolarHBondContact SG-O 3.22Å; G600-D605 WeakPolarHBondContact O-CB 3.48Å
601	P	82.4	Confident	84	Confident	72 Å²	72	45 Å²	45	47%	0.468	21%	0.209	S	C	.	.	S	Bend	trans	-86.3	-2.2	-169.5	34.6	-36.9	0	0	0	115.3	D605	P601-D605 WeakPolarHBondContact CD-OD2 3.44Å
602	R	83.3	Confident	84	Confident	143 Å²	143	43 Å²	43	54%	0.54	20%	0.2	S	C	.	.	S	Bend	trans	-95.7	157.7	-175.9	-50.7	171.9	178	120.7	-6.6	112.5	R604 D605	R602-R604 HydrophobicContact CB-CG 4.27Å; R602-R604 PolarHBondContact O-N 2.96Å; R602-D605 HydrophobicContact CB-CB 4.48Å; R602-D605 VanDerWaalsContact CB-OD2 3.24Å; R602-D605 WeakPolarHBondContact CB-OD2 3Å; R602-D605 VanDerWaalsContact CG-OD2 3.27Å; R602-D605 WeakPolarHBondContact CG-OD2 3.43Å; R602-D605 PolarHBondContact N-OD2 3.39Å; R602-D605 WeakPolarHBondContact O-CA 3.24Å; R602-D605 WeakPolarHBondContact O-CB 3.43Å; R602-D605 PolarHBondContact O-N 3.42Å
603	A	82.7	Confident	84.3	Confident	17 Å²	17	41.1 Å²	41.1	14%	0.14	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-23.1	175.8	0	0	0	0	0	115.7	C606 V617 C618	A603-C606 PolarHBondContact O-SG 2.67Å; A603-V617 HydrophobicContact CB-CG1 3.67Å; A603-C618 WeakPolarHBondContact O-CB 3.38Å; A603-C618 PolarHBondContact O-N 2.75Å; A603-C618 PolarHBondContact O-SG 3.25Å; A603-C618 VanDerWaalsContact O-SG 3.38Å
604	R	87.6	Confident	84.4	Confident	153 Å²	153	42 Å²	42	58%	0.577	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-23.8	173.1	67.3	-178.6	169.9	-162.9	-9	113.6	R602 C606 V617	R602-R604 HydrophobicContact CB-CG 4.27Å; R602-R604 PolarHBondContact O-N 2.96Å; R604-C606 PolarHBondContact O-N 3.11Å; R604-V617 HydrophobicContact CB-CG2 4.4Å
605	D	89.6	Confident	84.4	Confident	32 Å²	32	50.7 Å²	50.7	17%	0.171	23%	0.225	C	C	.	.	S	Bend	trans	-81.4	-4.8	-176.4	-45.8	-19.1	0	0	0	112	C598 Y599 G600 P601 R602	C598-D605 WeakPolarHBondContact CA-O 3.37Å; C598-D605 WeakPolarHBondContact CB-O 3.01Å; Y599-D605 PolarHBondContact N-O 2.9Å; G600-D605 WeakPolarHBondContact O-CB 3.48Å; P601-D605 WeakPolarHBondContact CD-OD2 3.44Å; R602-D605 HydrophobicContact CB-CB 4.48Å; R602-D605 VanDerWaalsContact CB-OD2 3.24Å; R602-D605 WeakPolarHBondContact CB-OD2 3Å; R602-D605 VanDerWaalsContact CG-OD2 3.27Å; R602-D605 WeakPolarHBondContact CG-OD2 3.43Å; R602-D605 PolarHBondContact N-OD2 3.39Å; R602-D605 WeakPolarHBondContact O-CA 3.24Å; R602-D605 WeakPolarHBondContact O-CB 3.43Å; R602-D605 PolarHBondContact O-N 3.42Å
606	C	87.8	Confident	84.5	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.2	173.2	-54.9	0	0	0	0	112.1	K58 C594 A603 R604 A608	K58-C606 WeakPolarHBondContact CE-O 3.36Å; K58-C606 PolarHBondContact NZ-O 3.31Å; C594-C606 WeakPolarHBondContact CA-SG 3.47Å; C594-C606 HydrophobicContact CB-CB 3.58Å; C594-C606 WeakPolarHBondContact CB-SG 3.06Å; C594-C606 PolarHBondContact N-SG 2.82Å; C594-C606 WeakPolarHBondContact SG-CA 3.06Å; C594-C606 WeakPolarHBondContact SG-CB 3.46Å; C594-C606 CovalentContact SG-SG 2.03Å; C594-C606 PolarHBondContact SG-SG 3.43Å; A603-C606 PolarHBondContact O-SG 2.67Å; R604-C606 PolarHBondContact O-N 3.11Å; C606-A608 WeakPolarHBondContact CB-O 3.42Å
607	N	81.9	Confident	85.2	Confident	48 Å²	48	54.1 Å²	54.1	26%	0.257	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-51.9	174.8	-160.9	2.4	0	0	0	110.3	K58 S597 Y599	K58-N607 WeakPolarHBondContact CE-O 3.4Å; S597-N607 VanDerWaalsContact O-CB 3.28Å; S597-N607 WeakPolarHBondContact O-CB 3.32Å; S597-N607 PolarHBondContact O-N 2.66Å; S597-N607 VanDerWaalsContact OG-CB 3.28Å; S597-N607 WeakPolarHBondContact OG-CB 3.46Å; S597-N607 PolarHBondContact OG-ND2 2.96Å; Y599-N607 HydrophobicContact CE2-CB 4.04Å
608	A	81.8	Confident	85.6	Confident	8 Å²	8	54 Å²	54	7%	0.066	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.6	168.8	0	0	0	0	0	111.2	L137 A595 C606	L137-A608 HydrophobicContact CD2-CB 3.66Å; A595-A608 HydrophobicContact CB-CB 4.25Å; A595-A608 PolarHBondContact N-O 2.86Å; C606-A608 WeakPolarHBondContact CB-O 3.42Å
609	C	85.6	Confident	85.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.8	173	-61.1	0	0	0	0	111.5	K58 C618	K58-C609 WeakPolarHBondContact CD-SG 3.41Å; K58-C609 WeakPolarHBondContact CE-SG 3.21Å; C609-C618 WeakPolarHBondContact CA-SG 3.35Å; C609-C618 HydrophobicContact CB-CB 3.65Å; C609-C618 WeakPolarHBondContact CB-SG 2.92Å; C609-C618 WeakPolarHBondContact SG-CA 3.37Å; C609-C618 WeakPolarHBondContact SG-CB 3.25Å; C609-C618 CovalentContact SG-SG 2.04Å; C609-C618 PolarHBondContact SG-SG 2.89Å
610	L	80.8	Confident	85.3	Confident	37 Å²	37	51.2 Å²	51.2	19%	0.194	24%	0.244	C	C	.	.	S	Bend	trans	-68.7	-38.3	177.7	-174.9	67	0	0	0	112.8	V203 E229 E593 A595	V203-L610 HydrophobicContact CG1-CD1 3.68Å; E229-L610 HydrophobicContact CG-CD1 4.25Å; E593-L610 WeakPolarHBondContact O-CB 3.22Å; E593-L610 PolarHBondContact O-N 2.99Å; A595-L610 HydrophobicContact CB-CB 4.45Å; A595-L610 HydrophobicContact CB-CD1 4.39Å
611	R	82.4	Confident	85.3	Confident	115 Å²	115	53.9 Å²	53.9	43%	0.434	26%	0.262	S	S	.	.	S	Bend	trans	-123.4	-81.7	-177.2	-72	-177	-87.3	-165.7	-5.7	112.2	E593 M647	E593-R611 IonicContact OE1-CZ 3.75Å; E593-R611 IonicContact OE1-NH2 2.7Å; E593-R611 PolarHBondContact OE1-NH2 2.92Å; E593-R611 IonicContact OE2-CZ 3.79Å; E593-R611 VanDerWaalsContact OE2-CZ 3.24Å; E593-R611 IonicContact OE2-NE 3.38Å; E593-R611 PolarHBondContact OE2-NE 3.1Å; E593-R611 IonicContact OE2-NH2 3.14Å; E593-R611 PolarHBondContact OE2-NH2 3.07Å; R611-M647 WeakPolarHBondContact O-CE 3.34Å
612	L	86.4	Confident	85.5	Confident	20 Å²	20	51.2 Å²	51.2	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	149.5	-173.8	-66.7	165.9	0	0	0	111.3	C618 T619 T644	L612-C618 CarbonylContact O-C 3.57Å; L612-C618 WeakPolarHBondContact O-CA 3.43Å; L612-T619 HydrophobicContact CB-CG2 3.78Å; L612-T619 PolarHBondContact N-O 2.89Å; L612-T619 VanDerWaalsContact N-O 3.08Å; L612-T619 PolarHBondContact O-N 3.41Å; L612-T644 HydrophobicContact CD1-CG2 4.13Å; L612-T644 HydrophobicContact CD2-CG2 3.79Å
613	S	87.4	Confident	85.8	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.7	168.1	177.7	0	0	0	0	110.2	N56 G616 M647 I648 C649	N56-S613 PolarHBondContact ND2-O 2.86Å; N56-S613 PolarHBondContact ND2-OG 3.03Å; N56-S613 VanDerWaalsContact ND2-OG 3.08Å; N56-S613 PolarHBondContact OD1-OG 2.94Å; S613-G616 WeakPolarHBondContact OG-CA 3.44Å; S613-G616 PolarHBondContact OG-N 2.71Å; S613-M647 PolarHBondContact N-O 3.38Å; S613-I648 WeakPolarHBondContact O-CA 3.39Å; S613-C649 PolarHBondContact O-N 2.94Å
614	N	89.8	Confident	85.7	Confident	38 Å²	38	48 Å²	48	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	100.9	167.1	-174.9	5.7	0	0	0	108.4	G616 V617 T619 L642 C649	N614-G616 VanDerWaalsContact C-N 3.34Å; N614-G616 PolarHBondContact O-N 3.05Å; N614-V617 PolarHBondContact N-O 3.29Å; N614-V617 WeakPolarHBondContact O-CB 3.41Å; N614-V617 PolarHBondContact O-N 2.88Å; N614-T619 HydrophobicContact CB-CG2 3.86Å; N614-L642 WeakPolarHBondContact OD1-CD1 3.49Å; N614-C649 HydrophobicContact CB-CB 4.27Å
615	R	85.8	Confident	85.4	Confident	181 Å²	181	41.3 Å²	41.3	68%	0.683	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	49	179.1	-60.4	176	174.8	172.1	-2.6	113.4	V617	R615-V617 VanDerWaalsContact C-N 3.28Å; R615-V617 PolarHBondContact O-N 3.35Å
616	G	82.3	Confident	84.8	Confident	9 Å²	9	44.7 Å²	44.7	9%	0.093	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-20.3	-179.8	0	0	0	0	0	115.5	N56 K58 S613 N614	N56-G616 PolarHBondContact OD1-N 2.89Å; N56-G616 VanDerWaalsContact OD1-N 3.12Å; K58-G616 PolarHBondContact NZ-O 3.35Å; S613-G616 WeakPolarHBondContact OG-CA 3.44Å; S613-G616 PolarHBondContact OG-N 2.71Å; N614-G616 VanDerWaalsContact C-N 3.34Å; N614-G616 PolarHBondContact O-N 3.05Å
617	V	89.5	Confident	84.4	Confident	66 Å²	66	49.6 Å²	49.6	40%	0.4	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	176.9	-169	0	0	0	0	109.7	A603 R604 N614 R615	A603-V617 HydrophobicContact CB-CG1 3.67Å; R604-V617 HydrophobicContact CB-CG2 4.4Å; N614-V617 PolarHBondContact N-O 3.29Å; N614-V617 WeakPolarHBondContact O-CB 3.41Å; N614-V617 PolarHBondContact O-N 2.88Å; R615-V617 VanDerWaalsContact C-N 3.28Å; R615-V617 PolarHBondContact O-N 3.35Å
618	C	88.8	Confident	83.9	Confident	4 Å²	4	48.5 Å²	48.5	3%	0.027	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.4	175.9	-56	0	0	0	0	111	E593 A603 C609 L612	E593-C618 HydrophobicContact CB-CB 3.74Å; E593-C618 WeakPolarHBondContact O-CB 3.32Å; A603-C618 WeakPolarHBondContact O-CB 3.38Å; A603-C618 PolarHBondContact O-N 2.75Å; A603-C618 PolarHBondContact O-SG 3.25Å; A603-C618 VanDerWaalsContact O-SG 3.38Å; C609-C618 WeakPolarHBondContact CA-SG 3.35Å; C609-C618 HydrophobicContact CB-CB 3.65Å; C609-C618 WeakPolarHBondContact CB-SG 2.92Å; C609-C618 WeakPolarHBondContact SG-CA 3.37Å; C609-C618 WeakPolarHBondContact SG-CB 3.25Å; C609-C618 CovalentContact SG-SG 2.04Å; C609-C618 PolarHBondContact SG-SG 2.89Å; L612-C618 CarbonylContact O-C 3.57Å; L612-C618 WeakPolarHBondContact O-CA 3.43Å
619	T	87.5	Confident	83.6	Confident	33 Å²	33	50.4 Å²	50.4	20%	0.202	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.8	-176.7	-172	0	0	0	0	110.5	L612 N614 S621	L612-T619 HydrophobicContact CB-CG2 3.78Å; L612-T619 PolarHBondContact N-O 2.89Å; L612-T619 VanDerWaalsContact N-O 3.08Å; L612-T619 PolarHBondContact O-N 3.41Å; N614-T619 HydrophobicContact CB-CG2 3.86Å; T619-S621 WeakPolarHBondContact CG2-O 3.37Å; T619-S621 PolarHBondContact OG1-O 3.29Å
620	D	81.7	Confident	82.9	Confident	88 Å²	88	54.5 Å²	54.5	47%	0.471	28%	0.275	S	S	.	.	S	Bend	trans	-78.3	-29.4	175.5	67.8	-13.6	0	0	0	112.7
621	S	85.8	Confident	82.5	Confident	62 Å²	62	57.5 Å²	57.5	43%	0.434	30%	0.299	S	S	.	.	S	Bend	trans	-150.5	156.3	-169.5	59.1	0	0	0	0	111.1	T619	T619-S621 WeakPolarHBondContact CG2-O 3.37Å; T619-S621 PolarHBondContact OG1-O 3.29Å
622	C	87.9	Confident	82.4	Confident	16 Å²	16	55.4 Å²	55.4	11%	0.108	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-86.7	148.1	169	-62.8	0	0	0	0	110.7	A624 L642 C649	C622-A624 PolarHBondContact O-N 3.34Å; C622-L642 HydrophobicContact CB-CB 4.45Å; C622-C649 WeakPolarHBondContact CA-SG 3.39Å; C622-C649 HydrophobicContact CB-CB 3.87Å; C622-C649 WeakPolarHBondContact CB-SG 3.06Å; C622-C649 WeakPolarHBondContact SG-CA 3.32Å; C622-C649 WeakPolarHBondContact SG-CB 3.5Å; C622-C649 CovalentContact SG-SG 2.04Å; C622-C649 PolarHBondContact SG-SG 2.92Å
623	P	88	Confident	81.6	Confident	47 Å²	47	57.6 Å²	57.6	31%	0.305	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-57.6	119.1	173.7	-24.7	33.9	0	0	0	111.8	D640 G641 L642	P623-D640 WeakPolarHBondContact CB-O 3.26Å; P623-G641 CarbonylContact O-C 3.59Å; P623-G641 WeakPolarHBondContact O-CA 3.14Å; P623-L642 PolarHBondContact O-N 3.38Å
624	A	81.2	Confident	80.8	Confident	46 Å²	46	59.5 Å²	59.5	38%	0.38	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-57.8	146.4	-176	0	0	0	0	0	113.2	C622 K626 N638 D662	C622-A624 PolarHBondContact O-N 3.34Å; A624-K626 VanDerWaalsContact C-N 3.26Å; A624-K626 PolarHBondContact O-N 3.37Å; A624-N638 VanDerWaalsContact O-CB 3.32Å; A624-N638 WeakPolarHBondContact O-CB 3.41Å; A624-N638 PolarHBondContact O-ND2 2.93Å; A624-D662 VanDerWaalsContact CA-OD2 3.23Å; A624-D662 WeakPolarHBondContact CA-OD2 2.99Å; A624-D662 WeakPolarHBondContact CB-OD2 3.4Å
625	S	80.7	Confident	79.9	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	34%	0.336	C	S	.	.	S	Bend	trans	-74.1	-12.7	-175.8	70.5	0	0	0	0	114.6	N638 R659 D662	S625-N638 PolarHBondContact O-N 3.03Å; S625-R659 PolarHBondContact OG-NH2 3.37Å; S625-D662 WeakPolarHBondContact CB-OD1 3.16Å; S625-D662 PolarHBondContact N-OD1 3.43Å; S625-D662 VanDerWaalsContact N-OD1 3.09Å; S625-D662 PolarHBondContact N-OD2 3.1Å; S625-D662 PolarHBondContact OG-OD1 3.41Å
626	K	78.2	Confident	79.6	Confident	102 Å²	102	57.8 Å²	57.8	44%	0.443	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.8	179.9	-66.7	169.3	-173.9	167.6	0	110.9	A624 W635 V636	A624-K626 VanDerWaalsContact C-N 3.26Å; A624-K626 PolarHBondContact O-N 3.37Å; K626-W635 HydrophobicContact CB-CE3 4.17Å; K626-V636 CarbonylContact C-O 3.17Å; K626-V636 WeakPolarHBondContact CA-O 3.48Å
627	K	78.2	Confident	79.5	Confident	109 Å²	109	63.7 Å²	63.7	47%	0.474	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.6	171.7	75.2	-176.4	-179.4	-168.2	0	111.1	N629 V636 N638	K627-N629 PolarHBondContact O-N 2.99Å; K627-V636 HydrophobicContact CG-CG2 3.92Å; K627-V636 PolarHBondContact N-O 3.32Å; K627-V636 WeakPolarHBondContact O-CG2 3.25Å; K627-V636 PolarHBondContact O-N 3.47Å; K627-V636 VanDerWaalsContact O-O 3.09Å; K627-N638 HydrophobicContact CB-CB 4.47Å
628	Y	71.2	Confident	79.3	Confident	25 Å²	25	62.1 Å²	62.1	10%	0.098	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.3	178.6	-178.9	-91.2	0	0	0	111	K630 F633 W635 D1056 P1065 K1068	Y628-K630 HydrophobicContact CD1-CG 4.27Å; Y628-K630 HydrophobicContact CE1-CG 4.3Å; Y628-K630 PolarHBondContact O-N 2.96Å; Y628-F633 WeakPolarHBondContact OH-CA 3.33Å; Y628-W635 HydrophobicContact CD2-CD2 4.34Å; Y628-D1056 VanDerWaalsContact OH-CG 3.24Å; Y628-D1056 PolarHBondContact OH-OD1 2.72Å; Y628-D1056 PolarHBondContact OH-OD2 2.78Å; Y628-P1065 HydrophobicContact CD1-CB 4.2Å; Y628-P1065 HydrophobicContact CD2-CB 3.91Å; Y628-P1065 HydrophobicContact CD2-CG 3.85Å; Y628-P1065 HydrophobicContact CE1-CB 4.2Å; Y628-P1065 HydrophobicContact CE1-CG 4.1Å; Y628-P1065 HydrophobicContact CE2-CB 3.91Å; Y628-P1065 HydrophobicContact CE2-CG 3.35Å; Y628-P1065 HydrophobicContact CG-CB 4.04Å; Y628-P1065 HydrophobicContact CG-CG 4.4Å; Y628-P1065 VanDerWaalsContact CZ-CG 3.49Å; Y628-K1068 PolarHBondContact OH-NZ 3.01Å
629	N	77.4	Confident	78.9	Confident	47 Å²	47	66 Å²	66	25%	0.251	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	108.1	175.5	-177.5	-4.6	0	0	0	110.3	K627 S631 T632 F633 S634 V636	K627-N629 PolarHBondContact O-N 2.99Å; N629-S631 PolarHBondContact O-N 2.93Å; N629-S631 VanDerWaalsContact O-N 3.17Å; N629-S631 VanDerWaalsContact OD1-CB 3.32Å; N629-S631 WeakPolarHBondContact OD1-CB 3.43Å; N629-S631 PolarHBondContact OD1-N 2.78Å; N629-S631 PolarHBondContact OD1-OG 3.45Å; N629-T632 WeakPolarHBondContact CB-OG1 3.47Å; N629-T632 VanDerWaalsContact CG-OG1 3.27Å; N629-T632 PolarHBondContact ND2-OG1 3.34Å; N629-T632 PolarHBondContact O-N 2.99Å; N629-F633 PolarHBondContact O-N 3.2Å; N629-S634 PolarHBondContact N-O 3.35Å; N629-V636 HydrophobicContact CB-CG1 3.84Å; N629-V636 HydrophobicContact CB-CG2 3.95Å
630	K	69	Low	78.8	Confident	87 Å²	87	69.9 Å²	69.9	38%	0.378	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.9	178.8	-64.7	-173.6	168.6	-160.9	0	113.9	Y628 E1079	Y628-K630 HydrophobicContact CD1-CG 4.27Å; Y628-K630 HydrophobicContact CE1-CG 4.3Å; Y628-K630 PolarHBondContact O-N 2.96Å; K630-E1079 WeakPolarHBondContact CD-OE2 3.37Å; K630-E1079 VanDerWaalsContact CE-OE2 3.25Å; K630-E1079 WeakPolarHBondContact CE-OE2 3.13Å; K630-E1079 IonicContact NZ-OE2 3.88Å; K630-E1079 PolarHBondContact NZ-OE2 3.17Å
631	S	72.7	Confident	78.9	Confident	101 Å²	101	66.2 Å²	66.2	71%	0.706	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-39.3	-175.4	-33.2	0	0	0	0	112.5	N629	N629-S631 PolarHBondContact O-N 2.93Å; N629-S631 VanDerWaalsContact O-N 3.17Å; N629-S631 VanDerWaalsContact OD1-CB 3.32Å; N629-S631 WeakPolarHBondContact OD1-CB 3.43Å; N629-S631 PolarHBondContact OD1-N 2.78Å; N629-S631 PolarHBondContact OD1-OG 3.45Å
632	T	80.6	Confident	79.2	Confident	70 Å²	70	63.9 Å²	63.9	43%	0.429	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.8	-177.1	55.2	0	0	0	0	113	N629 S634	N629-T632 WeakPolarHBondContact CB-OG1 3.47Å; N629-T632 VanDerWaalsContact CG-OG1 3.27Å; N629-T632 PolarHBondContact ND2-OG1 3.34Å; N629-T632 PolarHBondContact O-N 2.99Å; T632-S634 WeakPolarHBondContact CB-OG 3.4Å; T632-S634 PolarHBondContact O-N 3.13Å; T632-S634 VanDerWaalsContact O-N 3.16Å; T632-S634 PolarHBondContact OG1-OG 3.01Å
633	F	70.1	Confident	79.2	Confident	67 Å²	67	63.7 Å²	63.7	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	22.3	-175.3	-64.1	-106.3	0	0	0	113.6	Y628 N629 D1056 G1057 F1059 R1061	Y628-F633 WeakPolarHBondContact OH-CA 3.33Å; N629-F633 PolarHBondContact O-N 3.2Å; F633-D1056 WeakPolarHBondContact CD1-OD1 3.45Å; F633-G1057 VanDerWaalsContact CD1-CA 3.45Å; F633-G1057 VanDerWaalsContact CE1-CA 3.48Å; F633-F1059 HydrophobicContact CB-CD2 4.11Å; F633-F1059 HydrophobicContact CB-CE2 4.18Å; F633-R1061 PolarHBondContact O-NH2 2.94Å
634	S	71.4	Confident	79.3	Confident	39 Å²	39	62.9 Å²	62.9	27%	0.273	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.2	-172.6	65.1	0	0	0	0	112.3	N629 T632	N629-S634 PolarHBondContact N-O 3.35Å; T632-S634 WeakPolarHBondContact CB-OG 3.4Å; T632-S634 PolarHBondContact O-N 3.13Å; T632-S634 VanDerWaalsContact O-N 3.16Å; T632-S634 PolarHBondContact OG1-OG 3.01Å
635	W	69	Low	79.4	Confident	136 Å²	136	61.6 Å²	61.6	52%	0.515	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	132.7	165	-66.4	94.8	0	0	0	109.1	K626 Y628	K626-W635 HydrophobicContact CB-CE3 4.17Å; Y628-W635 HydrophobicContact CD2-CD2 4.34Å
636	V	80.5	Confident	79.1	Confident	48 Å²	48	63.6 Å²	63.6	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	157.1	172.6	-59.8	0	0	0	0	108.7	K626 K627 N629	K626-V636 CarbonylContact C-O 3.17Å; K626-V636 WeakPolarHBondContact CA-O 3.48Å; K627-V636 HydrophobicContact CG-CG2 3.92Å; K627-V636 PolarHBondContact N-O 3.32Å; K627-V636 WeakPolarHBondContact O-CG2 3.25Å; K627-V636 PolarHBondContact O-N 3.47Å; K627-V636 VanDerWaalsContact O-O 3.09Å; N629-V636 HydrophobicContact CB-CG1 3.84Å; N629-V636 HydrophobicContact CB-CG2 3.95Å
637	E	81	Confident	79.1	Confident	133 Å²	133	59 Å²	59	62%	0.621	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	147.7	176.2	-62.8	-144.2	127.9	0	0	111.8
638	N	84.1	Confident	79.4	Confident	33 Å²	33	53.9 Å²	53.9	18%	0.176	30%	0.3	C	S	.	.			trans	-99.3	111.7	175.3	-175.6	27.9	0	0	0	108.5	A624 S625 K627 D640 G641	A624-N638 VanDerWaalsContact O-CB 3.32Å; A624-N638 WeakPolarHBondContact O-CB 3.41Å; A624-N638 PolarHBondContact O-ND2 2.93Å; S625-N638 PolarHBondContact O-N 3.03Å; K627-N638 HydrophobicContact CB-CB 4.47Å; N638-D640 PolarHBondContact O-N 3.29Å; N638-D640 VanDerWaalsContact O-N 3.15Å; N638-G641 PolarHBondContact ND2-N 3.25Å; N638-G641 PolarHBondContact O-N 3.19Å
639	P	81.9	Confident	80.3	Confident	84 Å²	84	53.3 Å²	53.3	55%	0.545	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.3	-178	26.8	-35	0	0	0	112.7	K651	P639-K651 PolarHBondContact O-NZ 3.11Å
640	D	84.9	Confident	80.9	Confident	116 Å²	116	51.5 Å²	51.5	62%	0.62	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	4	175.3	-56.4	-62.2	0	0	0	113.3	P623 N638	P623-D640 WeakPolarHBondContact CB-O 3.26Å; N638-D640 PolarHBondContact O-N 3.29Å; N638-D640 VanDerWaalsContact O-N 3.15Å
641	G	84.2	Confident	81.7	Confident	10 Å²	10	53.7 Å²	53.7	10%	0.103	30%	0.299	C	S	.	.			trans	-62.2	142.3	178.3	0	0	0	0	0	113.1	P623 N638	P623-G641 CarbonylContact O-C 3.59Å; P623-G641 WeakPolarHBondContact O-CA 3.14Å; N638-G641 PolarHBondContact ND2-N 3.25Å; N638-G641 PolarHBondContact O-N 3.19Å
642	L	90.6	Very high	82.3	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	29%	0.286	C	S	.	.			trans	-137.1	142.8	177.5	-60.8	175.1	0	0	0	110	N614 C622 P623 C649 V650 K651	N614-L642 WeakPolarHBondContact OD1-CD1 3.49Å; C622-L642 HydrophobicContact CB-CB 4.45Å; P623-L642 PolarHBondContact O-N 3.38Å; L642-C649 HydrophobicContact CB-CB 3.9Å; L642-C649 HydrophobicContact CD1-CB 3.68Å; L642-C649 HydrophobicContact CG-CB 4.43Å; L642-V650 CarbonylContact C-O 3.53Å; L642-V650 WeakPolarHBondContact CA-O 3.18Å; L642-K651 HydrophobicContact CD2-CB 3.98Å; L642-K651 HydrophobicContact CD2-CD 4.36Å; L642-K651 HydrophobicContact CD2-CG 4.37Å
643	L	89.4	Confident	82.5	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.9	176.8	-51.9	175.9	0	0	0	110.4	C649 V650 R659 D662	L643-C649 WeakPolarHBondContact O-CA 3.01Å; L643-V650 HydrophobicContact CB-CG2 4.28Å; L643-V650 PolarHBondContact N-O 3.48Å; L643-V650 PolarHBondContact O-N 3.36Å; L643-R659 HydrophobicContact CD1-CG 4.14Å; L643-R659 HydrophobicContact CD2-CG 4.29Å; L643-D662 WeakPolarHBondContact CA-O 3.3Å
644	T	89.2	Confident	82.8	Confident	29 Å²	29	46.6 Å²	46.6	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117	179.4	-42.6	0	0	0	0	109.9	L612 D662 C664	L612-T644 HydrophobicContact CD1-CG2 4.13Å; L612-T644 HydrophobicContact CD2-CG2 3.79Å; T644-D662 PolarHBondContact N-O 2.89Å; T644-D662 PolarHBondContact OG1-O 2.82Å; T644-D662 VanDerWaalsContact OG1-O 3.12Å; T644-C664 PolarHBondContact O-N 2.7Å
645	F	83.4	Confident	82.9	Confident	20 Å²	20	54.3 Å²	54.3	9%	0.088	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	92.3	178.8	177.4	-121	0	0	0	111.2	Y53 M647 I648 V650 P654 Y657 C664	Y53-F645 HydrophobicContact CD2-CE1 4.3Å; Y53-F645 AromaticContact CE2-CD1 3.9Å; Y53-F645 HydrophobicContact CE2-CD1 3.9Å; Y53-F645 AromaticContact CE2-CE1 3.68Å; Y53-F645 HydrophobicContact CE2-CE1 3.68Å; Y53-F645 PolarHBondContact OH-O 3.31Å; F645-M647 PolarHBondContact O-N 3.11Å; F645-M647 VanDerWaalsContact O-N 3.09Å; F645-I648 HydrophobicContact CD1-CD1 4.24Å; F645-I648 HydrophobicContact CD1-CG1 4.31Å; F645-I648 PolarHBondContact N-O 2.76Å; F645-I648 VanDerWaalsContact O-CG1 3.28Å; F645-I648 WeakPolarHBondContact O-CG1 3.44Å; F645-I648 PolarHBondContact O-N 3.22Å; F645-V650 HydrophobicContact CB-CB 4.49Å; F645-V650 HydrophobicContact CB-CG1 4.06Å; F645-V650 HydrophobicContact CB-CG2 3.58Å; F645-V650 HydrophobicContact CD1-CG1 4.19Å; F645-V650 HydrophobicContact CG-CG2 4.46Å; F645-P654 HydrophobicContact CD1-CG 4.32Å; F645-P654 HydrophobicContact CD2-CG 4.25Å; F645-P654 HydrophobicContact CE1-CG 3.8Å; F645-P654 HydrophobicContact CE2-CG 3.73Å; F645-P654 HydrophobicContact CZ-CG 3.49Å; F645-P654 VanDerWaalsContact CZ-CG 3.49Å; F645-Y657 HydrophobicContact CD2-CD1 4.42Å; F645-Y657 AromaticContact CE2-CD1 3.95Å; F645-Y657 HydrophobicContact CE2-CD1 3.95Å; F645-Y657 HydrophobicContact CE2-CD2 4.09Å; F645-Y657 AromaticContact CE2-CE1 3.85Å; F645-Y657 HydrophobicContact CE2-CE1 3.85Å; F645-Y657 AromaticContact CE2-CE2 3.99Å; F645-Y657 HydrophobicContact CE2-CE2 3.99Å; F645-Y657 HydrophobicContact CE2-CG 4.09Å; F645-Y657 AromaticContact CE2-CZ 3.87Å; F645-Y657 HydrophobicContact CZ-CE2 4.37Å; F645-C664 HydrophobicContact CB-CB 4.11Å; F645-C664 HydrophobicContact CD2-CB 3.84Å; F645-C664 HydrophobicContact CG-CB 4.38Å
646	G	74.4	Confident	83	Confident	53 Å²	53	52.7 Å²	52.7	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-105.4	-175	0	0	0	0	0	111.3
647	M	77.3	Confident	83	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.034	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	9	-177.9	-59.3	-152.9	74.5	0	0	114.6	Y53 K139 R611 S613 F645	Y53-M647 HydrophobicContact CE1-CB 4.41Å; Y53-M647 PolarHBondContact OH-N 2.97Å; K139-M647 HydrophobicContact CD-CE 3.82Å; K139-M647 HydrophobicContact CD-SD 3.48Å; K139-M647 WeakPolarHBondContact CD-SD 3.23Å; K139-M647 PolarHBondContact NZ-SD 3.27Å; R611-M647 WeakPolarHBondContact O-CE 3.34Å; S613-M647 PolarHBondContact N-O 3.38Å; F645-M647 PolarHBondContact O-N 3.11Å; F645-M647 VanDerWaalsContact O-N 3.09Å
648	I	85.8	Confident	83.2	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.4	-176.7	56.8	167.8	0	0	0	111.9	Y52 Y53 N56 Y59 S613 F645 V650	Y52-I648 WeakPolarHBondContact O-CD1 3.43Å; Y53-I648 HydrophobicContact CD1-CD1 4.15Å; Y53-I648 HydrophobicContact CD1-CG1 4.43Å; Y53-I648 HydrophobicContact CD1-CG2 3.96Å; Y53-I648 HydrophobicContact CD2-CD1 3.58Å; Y53-I648 HydrophobicContact CD2-CG1 4.3Å; Y53-I648 HydrophobicContact CE1-CD1 4.22Å; Y53-I648 HydrophobicContact CE1-CG1 4.05Å; Y53-I648 HydrophobicContact CE1-CG2 3.83Å; Y53-I648 HydrophobicContact CE2-CD1 3.63Å; Y53-I648 HydrophobicContact CE2-CG1 3.88Å; Y53-I648 HydrophobicContact CG-CD1 3.82Å; N56-I648 HydrophobicContact CB-CG2 4.44Å; N56-I648 WeakPolarHBondContact ND2-CG2 3.4Å; Y59-I648 HydrophobicContact CD2-CG2 4.25Å; Y59-I648 HydrophobicContact CE2-CG2 3.89Å; S613-I648 WeakPolarHBondContact O-CA 3.39Å; F645-I648 HydrophobicContact CD1-CD1 4.24Å; F645-I648 HydrophobicContact CD1-CG1 4.31Å; F645-I648 PolarHBondContact N-O 2.76Å; F645-I648 VanDerWaalsContact O-CG1 3.28Å; F645-I648 WeakPolarHBondContact O-CG1 3.44Å; F645-I648 PolarHBondContact O-N 3.22Å; I648-V650 HydrophobicContact CD1-CG1 3.63Å; I648-V650 HydrophobicContact CG1-CG1 3.94Å
649	C	90.3	Very high	83.4	Confident	13 Å²	13	48.5 Å²	48.5	9%	0.088	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.8	168.6	-55.6	0	0	0	0	109.6	S613 N614 C622 L642 L643	S613-C649 PolarHBondContact O-N 2.94Å; N614-C649 HydrophobicContact CB-CB 4.27Å; C622-C649 WeakPolarHBondContact CA-SG 3.39Å; C622-C649 HydrophobicContact CB-CB 3.87Å; C622-C649 WeakPolarHBondContact CB-SG 3.06Å; C622-C649 WeakPolarHBondContact SG-CA 3.32Å; C622-C649 WeakPolarHBondContact SG-CB 3.5Å; C622-C649 CovalentContact SG-SG 2.04Å; C622-C649 PolarHBondContact SG-SG 2.92Å; L642-C649 HydrophobicContact CB-CB 3.9Å; L642-C649 HydrophobicContact CD1-CB 3.68Å; L642-C649 HydrophobicContact CG-CB 4.43Å; L643-C649 WeakPolarHBondContact O-CA 3.01Å
650	V	88.8	Confident	83.5	Confident	9 Å²	9	45.1 Å²	45.1	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	156.6	-179.2	-63	0	0	0	0	110.6	Y52 L642 L643 F645 I648 S652	Y52-V650 HydrophobicContact CD1-CB 4.42Å; Y52-V650 HydrophobicContact CD1-CG1 4.08Å; Y52-V650 HydrophobicContact CG-CG1 4.38Å; L642-V650 CarbonylContact C-O 3.53Å; L642-V650 WeakPolarHBondContact CA-O 3.18Å; L643-V650 HydrophobicContact CB-CG2 4.28Å; L643-V650 PolarHBondContact N-O 3.48Å; L643-V650 PolarHBondContact O-N 3.36Å; F645-V650 HydrophobicContact CB-CB 4.49Å; F645-V650 HydrophobicContact CB-CG1 4.06Å; F645-V650 HydrophobicContact CB-CG2 3.58Å; F645-V650 HydrophobicContact CD1-CG1 4.19Å; F645-V650 HydrophobicContact CG-CG2 4.46Å; I648-V650 HydrophobicContact CD1-CG1 3.63Å; I648-V650 HydrophobicContact CG1-CG1 3.94Å; V650-S652 VanDerWaalsContact CG2-O 3.28Å; V650-S652 WeakPolarHBondContact CG2-O 3.4Å
651	K	86.5	Confident	83.5	Confident	133 Å²	133	43.6 Å²	43.6	58%	0.578	24%	0.236	S	C	*	.	S	Bend	trans	-84.4	-20.5	179.4	-166.6	140	-170.1	143.2	0	114.1	P639 L642	P639-K651 PolarHBondContact O-NZ 3.11Å; L642-K651 HydrophobicContact CD2-CB 3.98Å; L642-K651 HydrophobicContact CD2-CD 4.36Å; L642-K651 HydrophobicContact CD2-CG 4.37Å
652	S	86.2	Confident	83.6	Confident	62 Å²	62	45 Å²	45	43%	0.434	24%	0.241	S	C	.	.	S	Bend	trans	-149.6	153.6	178.2	55.1	0	0	0	0	109.2	V650	V650-S652 VanDerWaalsContact CG2-O 3.28Å; V650-S652 WeakPolarHBondContact CG2-O 3.4Å
653	C	83.7	Confident	83.5	Confident	24 Å²	24	49.3 Å²	49.3	16%	0.162	26%	0.26	C	S	.	.			trans	-72.7	151.8	173.8	-58	0	0	0	0	111.7	C664	C653-C664 WeakPolarHBondContact CA-SG 3.46Å; C653-C664 HydrophobicContact CB-CB 3.8Å; C653-C664 WeakPolarHBondContact CB-SG 3.27Å; C653-C664 WeakPolarHBondContact SG-CA 3.5Å; C653-C664 WeakPolarHBondContact SG-CB 3.44Å; C653-C664 CovalentContact SG-SG 2.04Å; C653-C664 PolarHBondContact SG-SG 2.67Å
654	P	77.3	Confident	83.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.013	26%	0.261	C	S	.	.			trans	-57.1	156.2	165.9	-17.5	26.6	0	0	0	111.8	E49 Y52 F645 T656 Y657	E49-P654 WeakPolarHBondContact OE2-CB 3.47Å; Y52-P654 HydrophobicContact CD2-CB 4.34Å; Y52-P654 HydrophobicContact CD2-CG 3.87Å; Y52-P654 HydrophobicContact CE2-CB 3.77Å; Y52-P654 HydrophobicContact CE2-CG 3.71Å; F645-P654 HydrophobicContact CD1-CG 4.32Å; F645-P654 HydrophobicContact CD2-CG 4.25Å; F645-P654 HydrophobicContact CE1-CG 3.8Å; F645-P654 HydrophobicContact CE2-CG 3.73Å; F645-P654 HydrophobicContact CZ-CG 3.49Å; F645-P654 VanDerWaalsContact CZ-CG 3.49Å; P654-T656 PolarHBondContact O-N 3.08Å; P654-T656 VanDerWaalsContact O-N 3.14Å; P654-Y657 HydrophobicContact CB-CD2 4.07Å; P654-Y657 HydrophobicContact CG-CD2 4.09Å; P654-Y657 HydrophobicContact CG-CG 4.48Å; P654-Y657 PolarHBondContact O-N 3.29Å; P654-Y657 VanDerWaalsContact O-O 3.12Å
655	K	72.6	Confident	82.9	Confident	201 Å²	201	49.5 Å²	49.5	87%	0.874	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.2	-176.6	-67.2	-172.4	176.5	-173.7	0	113.3	E49 Y657	E49-K655 PolarHBondContact OE1-N 3.46Å; E49-K655 PolarHBondContact OE2-N 2.96Å; K655-Y657 VanDerWaalsContact C-N 3.3Å
656	T	70.4	Confident	82.3	Confident	102 Å²	102	52.9 Å²	52.9	63%	0.626	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	5.7	176	53.1	0	0	0	0	114.3	E49 P654	E49-T656 WeakPolarHBondContact OE2-CB 3.17Å; E49-T656 WeakPolarHBondContact OE2-CG2 3.43Å; E49-T656 PolarHBondContact OE2-N 2.87Å; E49-T656 PolarHBondContact OE2-OG1 3.16Å; P654-T656 PolarHBondContact O-N 3.08Å; P654-T656 VanDerWaalsContact O-N 3.14Å
657	Y	80.7	Confident	82.3	Confident	57 Å²	57	58 Å²	58	22%	0.224	30%	0.295	C	S	.	.	S	Bend	trans	-128.1	149.5	-177.7	-77.2	-105	0	0	0	111.6	K66 F645 P654 K655	K66-Y657 PolarHBondContact NZ-OH 3.03Å; F645-Y657 HydrophobicContact CD2-CD1 4.42Å; F645-Y657 AromaticContact CE2-CD1 3.95Å; F645-Y657 HydrophobicContact CE2-CD1 3.95Å; F645-Y657 HydrophobicContact CE2-CD2 4.09Å; F645-Y657 AromaticContact CE2-CE1 3.85Å; F645-Y657 HydrophobicContact CE2-CE1 3.85Å; F645-Y657 AromaticContact CE2-CE2 3.99Å; F645-Y657 HydrophobicContact CE2-CE2 3.99Å; F645-Y657 HydrophobicContact CE2-CG 4.09Å; F645-Y657 AromaticContact CE2-CZ 3.87Å; F645-Y657 HydrophobicContact CZ-CE2 4.37Å; P654-Y657 HydrophobicContact CB-CD2 4.07Å; P654-Y657 HydrophobicContact CG-CD2 4.09Å; P654-Y657 HydrophobicContact CG-CG 4.48Å; P654-Y657 PolarHBondContact O-N 3.29Å; P654-Y657 VanDerWaalsContact O-O 3.12Å; K655-Y657 VanDerWaalsContact C-N 3.3Å
658	L	85	Confident	82.2	Confident	14 Å²	14	58.9 Å²	58.9	7%	0.073	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.5	-179.8	-55.6	159.1	0	0	0	110.5	C664 V665 T675 G678	L658-C664 CarbonylContact O-C 3.48Å; L658-C664 WeakPolarHBondContact O-CA 3.2Å; L658-V665 HydrophobicContact CB-CG2 4.17Å; L658-V665 PolarHBondContact N-O 2.7Å; L658-V665 PolarHBondContact O-N 3.32Å; L658-T675 HydrophobicContact CD1-CG2 3.45Å; L658-T675 VanDerWaalsContact CD1-CG2 3.45Å; L658-T675 HydrophobicContact CD2-CG2 3.73Å; L658-T675 HydrophobicContact CG-CG2 4.23Å; L658-G678 CarbonylContact C-O 3.54Å; L658-G678 VanDerWaalsContact CA-O 3.22Å; L658-G678 WeakPolarHBondContact CA-O 3.47Å
659	R	88.1	Confident	81.3	Confident	56 Å²	56	62.6 Å²	62.6	21%	0.211	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125	167.5	-172.2	-163.6	-175	176.2	3.7	110.7	S625 L643 D661 G678 E679 C680	S625-R659 PolarHBondContact OG-NH2 3.37Å; L643-R659 HydrophobicContact CD1-CG 4.14Å; L643-R659 HydrophobicContact CD2-CG 4.29Å; R659-D661 VanDerWaalsContact CG-O 3.32Å; R659-D661 WeakPolarHBondContact CG-O 3.46Å; R659-D661 PolarHBondContact NE-O 3.34Å; R659-G678 PolarHBondContact N-O 3.45Å; R659-E679 HydrophobicContact CB-CG 4.2Å; R659-E679 WeakPolarHBondContact CD-OE1 3.42Å; R659-E679 IonicContact CZ-OE1 3.1Å; R659-E679 IonicContact NE-OE1 2.72Å; R659-E679 IonicContact NH1-OE1 3.54Å; R659-E679 PolarHBondContact NH1-OE1 2.64Å; R659-C680 PolarHBondContact O-N 3.07Å
660	D	85.6	Confident	80.3	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.064	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	92.6	170.3	-153.3	0.9	0	0	0	107.5	D662 H663 V665 A669 R670 C680	D660-D662 PolarHBondContact O-N 2.88Å; D660-D662 VanDerWaalsContact O-N 3.14Å; D660-H663 PolarHBondContact N-O 2.9Å; D660-H663 PolarHBondContact O-N 3.45Å; D660-H663 VanDerWaalsContact O-N 3.11Å; D660-V665 HydrophobicContact CB-CG1 4.26Å; D660-V665 HydrophobicContact CB-CG2 3.68Å; D660-A669 PolarHBondContact OD2-N 3.15Å; D660-A669 VanDerWaalsContact OD2-N 3.12Å; D660-R670 IonicContact OD1-CZ 2.72Å; D660-R670 IonicContact OD1-NE 2.93Å; D660-R670 PolarHBondContact OD1-NE 2.92Å; D660-R670 IonicContact OD1-NH2 3.84Å; D660-R670 PolarHBondContact OD1-NH2 3.47Å; D660-C680 HydrophobicContact CB-CB 4.27Å
661	D	84.7	Confident	78.9	Confident	85 Å²	85	71 Å²	71	46%	0.455	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	-104.2	-164.8	-62.8	-14.3	0	0	0	114.1	R659 R670	R659-D661 VanDerWaalsContact CG-O 3.32Å; R659-D661 WeakPolarHBondContact CG-O 3.46Å; R659-D661 PolarHBondContact NE-O 3.34Å; D661-R670 IonicContact OD1-CZ 3.33Å; D661-R670 IonicContact OD1-NH1 2.65Å; D661-R670 PolarHBondContact OD1-NH1 2.94Å; D661-R670 IonicContact OD1-NH2 3.51Å; D661-R670 PolarHBondContact OD1-NH2 3.45Å; D661-R670 IonicContact OD2-CZ 3.53Å; D661-R670 IonicContact OD2-NH1 3.84Å; D661-R670 PolarHBondContact OD2-NH1 2.74Å; D661-R670 IonicContact OD2-NH2 2.59Å; D661-R670 PolarHBondContact OD2-NH2 3.1Å
662	D	86.9	Confident	77.9	Confident	39 Å²	39	66.2 Å²	66.2	21%	0.209	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	18.1	-178.1	-73.5	-11.6	0	0	0	112.7	A624 S625 L643 T644 D660	A624-D662 VanDerWaalsContact CA-OD2 3.23Å; A624-D662 WeakPolarHBondContact CA-OD2 2.99Å; A624-D662 WeakPolarHBondContact CB-OD2 3.4Å; S625-D662 WeakPolarHBondContact CB-OD1 3.16Å; S625-D662 PolarHBondContact N-OD1 3.43Å; S625-D662 VanDerWaalsContact N-OD1 3.09Å; S625-D662 PolarHBondContact N-OD2 3.1Å; S625-D662 PolarHBondContact OG-OD1 3.41Å; L643-D662 WeakPolarHBondContact CA-O 3.3Å; T644-D662 PolarHBondContact N-O 2.89Å; T644-D662 PolarHBondContact OG1-O 2.82Å; T644-D662 VanDerWaalsContact OG1-O 3.12Å; D660-D662 PolarHBondContact O-N 2.88Å; D660-D662 VanDerWaalsContact O-N 3.14Å
663	H	87.6	Confident	77.6	Confident	103 Å²	103	66.8 Å²	66.8	48%	0.477	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.2	-177.3	-53.7	84.9	0	0	0	112.3	D660 V665	D660-H663 PolarHBondContact N-O 2.9Å; D660-H663 PolarHBondContact O-N 3.45Å; D660-H663 VanDerWaalsContact O-N 3.11Å; H663-V665 HydrophobicContact CB-CG1 4.31Å
664	C	86.4	Confident	77	Confident	13 Å²	13	68.3 Å²	68.3	9%	0.088	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.3	171.9	-64.5	0	0	0	0	110.8	T644 F645 C653 L658	T644-C664 PolarHBondContact O-N 2.7Å; F645-C664 HydrophobicContact CB-CB 4.11Å; F645-C664 HydrophobicContact CD2-CB 3.84Å; F645-C664 HydrophobicContact CG-CB 4.38Å; C653-C664 WeakPolarHBondContact CA-SG 3.46Å; C653-C664 HydrophobicContact CB-CB 3.8Å; C653-C664 WeakPolarHBondContact CB-SG 3.27Å; C653-C664 WeakPolarHBondContact SG-CA 3.5Å; C653-C664 WeakPolarHBondContact SG-CB 3.44Å; C653-C664 CovalentContact SG-SG 2.04Å; C653-C664 PolarHBondContact SG-SG 2.67Å; L658-C664 CarbonylContact O-C 3.48Å; L658-C664 WeakPolarHBondContact O-CA 3.2Å
665	V	79.5	Confident	76.9	Confident	34 Å²	34	71.4 Å²	71.4	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.8	-171.6	-60.7	0	0	0	0	111.7	L658 D660 H663 K667	L658-V665 HydrophobicContact CB-CG2 4.17Å; L658-V665 PolarHBondContact N-O 2.7Å; L658-V665 PolarHBondContact O-N 3.32Å; D660-V665 HydrophobicContact CB-CG1 4.26Å; D660-V665 HydrophobicContact CB-CG2 3.68Å; H663-V665 HydrophobicContact CB-CG1 4.31Å; V665-K667 WeakPolarHBondContact CB-O 3.39Å; V665-K667 WeakPolarHBondContact CG2-O 3.15Å
666	S	71.5	Confident	77.1	Confident	91 Å²	91	67.8 Å²	67.8	64%	0.636	37%	0.366	S	S	*	.	S	Bend	trans	-82.2	-15.4	177.1	53.1	0	0	0	0	114
667	K	74.3	Confident	77.6	Confident	159 Å²	159	71.1 Å²	71.1	69%	0.691	38%	0.375	S	S	*	.	S	Bend	trans	-152.9	150.2	173.4	62.1	177.6	-177.1	175.7	0	108.6	V665 A669	V665-K667 WeakPolarHBondContact CB-O 3.39Å; V665-K667 WeakPolarHBondContact CG2-O 3.15Å; K667-A669 PolarHBondContact O-N 2.92Å
668	C	75.2	Confident	77.4	Confident	27 Å²	27	70 Å²	70	18%	0.182	38%	0.38	C	S	.	.			trans	-60	129.2	174.4	-55	0	0	0	0	110.4	C680	C668-C680 WeakPolarHBondContact CA-SG 3.3Å; C668-C680 HydrophobicContact CB-CB 3.78Å; C668-C680 WeakPolarHBondContact CB-SG 3.18Å; C668-C680 VanDerWaalsContact SG-CA 3.51Å; C668-C680 WeakPolarHBondContact SG-CB 3Å; C668-C680 CovalentContact SG-SG 2.04Å; C668-C680 PolarHBondContact SG-SG 3.2Å
669	A	67	Low	77.4	Confident	79 Å²	79	73.3 Å²	73.3	65%	0.653	40%	0.395	S	S	*	.			trans	-89.7	-20.3	-175.6	0	0	0	0	0	112.8	D660 K667	D660-A669 PolarHBondContact OD2-N 3.15Å; D660-A669 VanDerWaalsContact OD2-N 3.12Å; K667-A669 PolarHBondContact O-N 2.92Å
670	R	67.8	Low	77.2	Confident	71 Å²	71	71.2 Å²	71.2	27%	0.268	39%	0.389	S	S	.	.	S	Bend	trans	-85.8	125.3	-173.9	-64.4	-172.1	-84.5	-169	-1.4	111.8	D660 D661 Y673	D660-R670 IonicContact OD1-CZ 2.72Å; D660-R670 IonicContact OD1-NE 2.93Å; D660-R670 PolarHBondContact OD1-NE 2.92Å; D660-R670 IonicContact OD1-NH2 3.84Å; D660-R670 PolarHBondContact OD1-NH2 3.47Å; D661-R670 IonicContact OD1-CZ 3.33Å; D661-R670 IonicContact OD1-NH1 2.65Å; D661-R670 PolarHBondContact OD1-NH1 2.94Å; D661-R670 IonicContact OD1-NH2 3.51Å; D661-R670 PolarHBondContact OD1-NH2 3.45Å; D661-R670 IonicContact OD2-CZ 3.53Å; D661-R670 IonicContact OD2-NH1 3.84Å; D661-R670 PolarHBondContact OD2-NH1 2.74Å; D661-R670 IonicContact OD2-NH2 2.59Å; D661-R670 PolarHBondContact OD2-NH2 3.1Å; R670-Y673 HydrophobicContact CB-CD2 3.49Å; R670-Y673 VanDerWaalsContact CB-CD2 3.49Å; R670-Y673 HydrophobicContact CB-CE2 3.88Å; R670-Y673 HydrophobicContact CB-CG 3.88Å; R670-Y673 WeakPolarHBondContact O-CB 3.47Å; R670-Y673 PolarHBondContact O-N 3.02Å
671	P	60.9	Low	77	Confident	128 Å²	128	73.2 Å²	73.2	83%	0.831	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	140.9	172.4	-23.5	34.1	0	0	0	111.7	Y673	P671-Y673 VanDerWaalsContact C-N 3.32Å
672	G	65.8	Low	76.5	Confident	32 Å²	32	73.1 Å²	73.1	33%	0.33	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	15.7	-176.8	0	0	0	0	0	114.5	C683	G672-C683 VanDerWaalsContact C-SG 3.56Å; G672-C683 WeakPolarHBondContact O-CB 3.08Å; G672-C683 PolarHBondContact O-N 3.28Å; G672-C683 PolarHBondContact O-SG 3.13Å; G672-C683 VanDerWaalsContact O-SG 3.39Å
673	Y	78.1	Confident	75.7	Confident	74 Å²	74	71.6 Å²	71.6	29%	0.29	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.5	171	-72.9	-118.9	0	0	0	110.6	R670 P671 I681 P682	R670-Y673 HydrophobicContact CB-CD2 3.49Å; R670-Y673 VanDerWaalsContact CB-CD2 3.49Å; R670-Y673 HydrophobicContact CB-CE2 3.88Å; R670-Y673 HydrophobicContact CB-CG 3.88Å; R670-Y673 WeakPolarHBondContact O-CB 3.47Å; R670-Y673 PolarHBondContact O-N 3.02Å; P671-Y673 VanDerWaalsContact C-N 3.32Å; Y673-I681 CarbonylContact C-O 3.29Å; Y673-I681 WeakPolarHBondContact CA-O 3.05Å; Y673-I681 WeakPolarHBondContact CB-O 3.32Å; Y673-I681 VanDerWaalsContact CD1-C 3.42Å; Y673-P682 HydrophobicContact CD1-CG 4.32Å; Y673-P682 HydrophobicContact CE1-CB 4.48Å; Y673-P682 HydrophobicContact CE1-CG 3.75Å
674	M	72	Confident	74.6	Confident	56 Å²	56	70.5 Å²	70.5	28%	0.276	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	159.7	176.4	57.7	174.1	-76.3	0	0	111.1	I681 C683	M674-I681 HydrophobicContact CG-CD1 4.41Å; M674-I681 HydrophobicContact CG-CG1 3.86Å; M674-I681 PolarHBondContact N-O 3.04Å; M674-I681 PolarHBondContact O-N 3.33Å; M674-C683 VanDerWaalsContact CB-SG 3.57Å; M674-C683 PolarHBondContact N-SG 3.4Å; M674-C683 VanDerWaalsContact N-SG 3.44Å
675	T	75.5	Confident	73.2	Confident	67 Å²	67	76.7 Å²	76.7	41%	0.411	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.2	171.7	43.6	0	0	0	0	111	L658	L658-T675 HydrophobicContact CD1-CG2 3.45Å; L658-T675 VanDerWaalsContact CD1-CG2 3.45Å; L658-T675 HydrophobicContact CD2-CG2 3.73Å; L658-T675 HydrophobicContact CG-CG2 4.23Å
676	Y	76.7	Confident	72.2	Confident	124 Å²	124	80.1 Å²	80.1	49%	0.486	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	121.7	172	-171.5	-95.6	0	0	0	110.1	G678 E679 I681	Y676-G678 PolarHBondContact O-N 2.82Å; Y676-E679 PolarHBondContact N-O 3.02Å; Y676-E679 PolarHBondContact O-N 3.47Å; Y676-I681 VanDerWaalsContact CB-CD1 3.43Å; Y676-I681 HydrophobicContact CD1-CD1 4.25Å; Y676-I681 HydrophobicContact CD2-CD1 4.29Å; Y676-I681 HydrophobicContact CG-CD1 3.75Å
677	Q	80.7	Confident	71.5	Confident	173 Å²	173	79 Å²	79	81%	0.808	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	24.6	177.2	-65	-176.6	-30.2	0	0	116.2
678	G	76.3	Confident	71.2	Confident	32 Å²	32	73.7 Å²	73.7	33%	0.33	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-3.3	-178.5	0	0	0	0	0	114.9	L658 R659 Y676	L658-G678 CarbonylContact C-O 3.54Å; L658-G678 VanDerWaalsContact CA-O 3.22Å; L658-G678 WeakPolarHBondContact CA-O 3.47Å; R659-G678 PolarHBondContact N-O 3.45Å; Y676-G678 PolarHBondContact O-N 2.82Å
679	E	85.4	Confident	70.8	Confident	85 Å²	85	76.1 Å²	76.1	40%	0.397	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	162.2	171.9	-56.1	-156.7	143.7	0	0	111.7	R659 Y676	R659-E679 HydrophobicContact CB-CG 4.2Å; R659-E679 WeakPolarHBondContact CD-OE1 3.42Å; R659-E679 IonicContact CZ-OE1 3.1Å; R659-E679 IonicContact NE-OE1 2.72Å; R659-E679 IonicContact NH1-OE1 3.54Å; R659-E679 PolarHBondContact NH1-OE1 2.64Å; Y676-E679 PolarHBondContact N-O 3.02Å; Y676-E679 PolarHBondContact O-N 3.47Å
680	C	83.6	Confident	71.3	Confident	12 Å²	12	76.1 Å²	76.1	8%	0.081	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	109.3	172.5	-69.4	0	0	0	0	110.4	R659 D660 C668	R659-C680 PolarHBondContact O-N 3.07Å; D660-C680 HydrophobicContact CB-CB 4.27Å; C668-C680 WeakPolarHBondContact CA-SG 3.3Å; C668-C680 HydrophobicContact CB-CB 3.78Å; C668-C680 WeakPolarHBondContact CB-SG 3.18Å; C668-C680 VanDerWaalsContact SG-CA 3.51Å; C668-C680 WeakPolarHBondContact SG-CB 3Å; C668-C680 CovalentContact SG-SG 2.04Å; C668-C680 PolarHBondContact SG-SG 3.2Å
681	I	81.9	Confident	71.9	Confident	54 Å²	54	77.8 Å²	77.8	28%	0.277	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	151.3	-177.4	67.5	165.9	0	0	0	111.8	Y673 M674 Y676	Y673-I681 CarbonylContact C-O 3.29Å; Y673-I681 WeakPolarHBondContact CA-O 3.05Å; Y673-I681 WeakPolarHBondContact CB-O 3.32Å; Y673-I681 VanDerWaalsContact CD1-C 3.42Å; M674-I681 HydrophobicContact CG-CD1 4.41Å; M674-I681 HydrophobicContact CG-CG1 3.86Å; M674-I681 PolarHBondContact N-O 3.04Å; M674-I681 PolarHBondContact O-N 3.33Å; Y676-I681 VanDerWaalsContact CB-CD1 3.43Å; Y676-I681 HydrophobicContact CD1-CD1 4.25Å; Y676-I681 HydrophobicContact CD2-CD1 4.29Å; Y676-I681 HydrophobicContact CG-CD1 3.75Å
682	P	74.4	Confident	73.2	Confident	82 Å²	82	71.9 Å²	71.9	53%	0.532	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.3	171.5	-20.8	31.8	0	0	0	111.8	Y673	Y673-P682 HydrophobicContact CD1-CG 4.32Å; Y673-P682 HydrophobicContact CE1-CB 4.48Å; Y673-P682 HydrophobicContact CE1-CG 3.75Å
683	C	68.9	Low	74	Confident	7 Å²	7	72 Å²	72	5%	0.047	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-70.4	140.4	178	-66.4	0	0	0	0	111.6	G672 M674 N685 S686 C688	G672-C683 VanDerWaalsContact C-SG 3.56Å; G672-C683 WeakPolarHBondContact O-CB 3.08Å; G672-C683 PolarHBondContact O-N 3.28Å; G672-C683 PolarHBondContact O-SG 3.13Å; G672-C683 VanDerWaalsContact O-SG 3.39Å; M674-C683 VanDerWaalsContact CB-SG 3.57Å; M674-C683 PolarHBondContact N-SG 3.4Å; M674-C683 VanDerWaalsContact N-SG 3.44Å; C683-N685 PolarHBondContact O-N 2.84Å; C683-S686 PolarHBondContact O-N 3.25Å; C683-C688 HydrophobicContact CB-CB 3.91Å; C683-C688 WeakPolarHBondContact CB-SG 2.92Å; C683-C688 WeakPolarHBondContact SG-CA 3.47Å; C683-C688 WeakPolarHBondContact SG-CB 3.27Å; C683-C688 CovalentContact SG-SG 2.04Å; C683-C688 PolarHBondContact SG-SG 3.23Å
684	P	64.7	Low	74.1	Confident	81 Å²	81	71.1 Å²	71.1	53%	0.526	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-51.5	136.1	174.6	-27	35.2	0	0	0	111.9	S686 I687	P684-S686 PolarHBondContact O-N 2.91Å; P684-I687 PolarHBondContact O-N 2.89Å; P684-I687 VanDerWaalsContact O-O 3.09Å
685	N	58	Low	74.2	Confident	142 Å²	142	75.5 Å²	75.5	76%	0.759	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	52.1	24.8	-177.9	-58.2	-17.1	0	0	0	114.6	C683 I687	C683-N685 PolarHBondContact O-N 2.84Å; N685-I687 PolarHBondContact O-N 2.79Å
686	S	57	Low	74.4	Confident	107 Å²	107	78.9 Å²	78.9	75%	0.748	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	61.8	13.6	-174.4	-45.8	0	0	0	0	115.4	C683 P684	C683-S686 PolarHBondContact O-N 3.25Å; P684-S686 PolarHBondContact O-N 2.91Å
687	I	57.6	Low	74.7	Confident	67 Å²	67	73.8 Å²	73.8	34%	0.344	41%	0.411	S	S	.	.			trans	-124	114.3	-179.2	-59.9	167.8	0	0	0	108.2	P684 N685 T718 K757	P684-I687 PolarHBondContact O-N 2.89Å; P684-I687 VanDerWaalsContact O-O 3.09Å; N685-I687 PolarHBondContact O-N 2.79Å; I687-T718 HydrophobicContact CG2-CG2 4.34Å; I687-K757 HydrophobicContact CD1-CD 4.41Å
688	C	68.1	Low	74.8	Confident	47 Å²	47	66.8 Å²	66.8	32%	0.318	38%	0.378	S	S	.	.			trans	-73.3	134.1	178.9	-53.3	0	0	0	0	110.4	C683 K690	C683-C688 HydrophobicContact CB-CB 3.91Å; C683-C688 WeakPolarHBondContact CB-SG 2.92Å; C683-C688 WeakPolarHBondContact SG-CA 3.47Å; C683-C688 WeakPolarHBondContact SG-CB 3.27Å; C683-C688 CovalentContact SG-SG 2.04Å; C683-C688 PolarHBondContact SG-SG 3.23Å; C688-K690 PolarHBondContact O-N 2.94Å
689	P	66.5	Low	74.6	Confident	79 Å²	79	69.8 Å²	69.8	51%	0.513	39%	0.394	S	S	.	.			trans	-58.8	124.6	179.8	-25.7	34.7	0	0	0	112.2	T718	P689-T718 WeakPolarHBondContact CA-OG1 3.47Å
690	K	78	Confident	74.3	Confident	79 Å²	79	67.9 Å²	67.9	34%	0.343	39%	0.386	S	S	.	.			trans	-110.2	109.9	172.8	-173.6	-163.7	175.4	-155.5	0	107.8	C688 C692 A713 E715 N716 C717 T718 V719	C688-K690 PolarHBondContact O-N 2.94Å; K690-C692 VanDerWaalsContact CE-SG 3.5Å; K690-A713 PolarHBondContact NZ-O 3.19Å; K690-A713 VanDerWaalsContact NZ-O 3.17Å; K690-E715 PolarHBondContact NZ-O 2.96Å; K690-N716 WeakPolarHBondContact CB-O 3.25Å; K690-C717 PolarHBondContact NZ-SG 3.15Å; K690-C717 VanDerWaalsContact NZ-SG 3.39Å; K690-T718 PolarHBondContact N-OG1 3.03Å; K690-T718 PolarHBondContact O-N 3.41Å; K690-T718 PolarHBondContact O-OG1 3.13Å; K690-V719 PolarHBondContact O-N 3.12Å
691	I	80.5	Confident	74	Confident	105 Å²	105	77.2 Å²	77.2	54%	0.538	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	140.7	168.8	-54.4	174.1	0	0	0	107.5	V719 E721	I691-V719 HydrophobicContact CG1-CB 4.24Å; I691-V719 HydrophobicContact CG2-CG1 4.41Å; I691-E721 HydrophobicContact CG2-CG 4.4Å
692	C	87.4	Confident	73.7	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.034	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.2	179.7	-57.8	0	0	0	0	109.8	K690 I697 C717 V719 F720 E721	K690-C692 VanDerWaalsContact CE-SG 3.5Å; C692-I697 HydrophobicContact CB-CG2 4.38Å; C692-C717 HydrophobicContact CB-CB 3.91Å; C692-C717 WeakPolarHBondContact CB-SG 3.37Å; C692-C717 WeakPolarHBondContact SG-CB 3.15Å; C692-C717 CovalentContact SG-SG 2.02Å; C692-C717 PolarHBondContact SG-SG 2.68Å; C692-V719 PolarHBondContact N-O 3.26Å; C692-F720 HydrophobicContact CB-CD2 4.32Å; C692-F720 WeakPolarHBondContact O-CA 3.22Å; C692-F720 WeakPolarHBondContact O-CD2 3.32Å; C692-E721 PolarHBondContact O-N 3.22Å
693	T	83.9	Confident	74.2	Confident	33 Å²	33	73.9 Å²	73.9	20%	0.202	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	157.7	173.7	68.7	0	0	0	0	110.8	N695 E696 I697 E721	T693-N695 PolarHBondContact O-N 3.13Å; T693-E696 VanDerWaalsContact CB-OE2 3.32Å; T693-E696 WeakPolarHBondContact CB-OE2 3.26Å; T693-E696 WeakPolarHBondContact CG2-OE2 3.28Å; T693-E696 PolarHBondContact N-OE2 2.99Å; T693-E696 PolarHBondContact O-N 3.2Å; T693-E696 VanDerWaalsContact OG1-CD 3.31Å; T693-E696 WeakPolarHBondContact OG1-CG 3.43Å; T693-E696 PolarHBondContact OG1-N 3.12Å; T693-E696 PolarHBondContact OG1-OE2 2.98Å; T693-I697 PolarHBondContact O-N 2.99Å; T693-E721 HydrophobicContact CG2-CB 4.11Å
694	L	79.5	Confident	74.9	Confident	56 Å²	56	76.5 Å²	76.5	29%	0.293	43%	0.43	S	S	.	.	H	α-helix	trans	-57.4	-35	173.9	-170.7	66.4	0	0	0	112.4	E696 I697 E698 F720	L694-E696 VanDerWaalsContact C-N 3.29Å; L694-E696 PolarHBondContact O-N 3.01Å; L694-I697 HydrophobicContact CD1-CD1 4.38Å; L694-I697 HydrophobicContact CD1-CG1 4.39Å; L694-I697 PolarHBondContact O-N 3.49Å; L694-E698 HydrophobicContact CD1-CB 4.16Å; L694-E698 HydrophobicContact CG-CB 4.4Å; L694-E698 WeakPolarHBondContact O-CB 3.43Å; L694-E698 PolarHBondContact O-N 3.42Å; L694-F720 HydrophobicContact CB-CZ 4.07Å; L694-F720 HydrophobicContact CD1-CZ 4.17Å
695	N	74.8	Confident	76.1	Confident	149 Å²	149	73.2 Å²	73.2	80%	0.797	41%	0.407	S	S	*	.	H	α-helix	trans	-68.3	-22.7	-178.9	-68.1	-19.7	0	0	0	113.9	T693	T693-N695 PolarHBondContact O-N 3.13Å
696	E	77.7	Confident	77.7	Confident	138 Å²	138	66.6 Å²	66.6	65%	0.645	37%	0.372	S	S	*	.	H	α-helix	trans	-90.2	-30.4	178	-68.3	161.2	122.1	0	0	112.5	T693 L694	T693-E696 VanDerWaalsContact CB-OE2 3.32Å; T693-E696 WeakPolarHBondContact CB-OE2 3.26Å; T693-E696 WeakPolarHBondContact CG2-OE2 3.28Å; T693-E696 PolarHBondContact N-OE2 2.99Å; T693-E696 PolarHBondContact O-N 3.2Å; T693-E696 VanDerWaalsContact OG1-CD 3.31Å; T693-E696 WeakPolarHBondContact OG1-CG 3.43Å; T693-E696 PolarHBondContact OG1-N 3.12Å; T693-E696 PolarHBondContact OG1-OE2 2.98Å; L694-E696 VanDerWaalsContact C-N 3.29Å; L694-E696 PolarHBondContact O-N 3.01Å
697	I	83.4	Confident	79.3	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-95.2	-21.9	-176.6	67	165.7	0	0	0	113.8	C692 T693 L694 L706 A713 M714 F720	C692-I697 HydrophobicContact CB-CG2 4.38Å; T693-I697 PolarHBondContact O-N 2.99Å; L694-I697 HydrophobicContact CD1-CD1 4.38Å; L694-I697 HydrophobicContact CD1-CG1 4.39Å; L694-I697 PolarHBondContact O-N 3.49Å; I697-L706 HydrophobicContact CD1-CD2 4.06Å; I697-A713 HydrophobicContact CB-CB 3.88Å; I697-A713 HydrophobicContact CG2-CB 4.08Å; I697-M714 HydrophobicContact CB-CG 4.46Å; I697-M714 HydrophobicContact CD1-CG 3.44Å; I697-M714 VanDerWaalsContact CD1-CG 3.44Å; I697-M714 HydrophobicContact CD1-SD 3.58Å; I697-M714 VanDerWaalsContact CD1-SD 3.58Å; I697-M714 HydrophobicContact CG2-CG 4.1Å; I697-F720 HydrophobicContact CD1-CD2 4.49Å; I697-F720 HydrophobicContact CD1-CE2 3.54Å; I697-F720 HydrophobicContact CD1-CZ 4.07Å; I697-F720 HydrophobicContact CG1-CE2 4.31Å
698	E	82.6	Confident	81	Confident	25 Å²	25	61.7 Å²	61.7	12%	0.117	33%	0.333	C	S	.	.			trans	-111	125.9	-176.2	-167	48.4	-98.6	0	0	112.1	L694 I700 I703 H707 S710	L694-E698 HydrophobicContact CD1-CB 4.16Å; L694-E698 HydrophobicContact CG-CB 4.4Å; L694-E698 WeakPolarHBondContact O-CB 3.43Å; L694-E698 PolarHBondContact O-N 3.42Å; E698-I700 PolarHBondContact OE1-N 2.88Å; E698-I700 VanDerWaalsContact OE1-N 3.12Å; E698-I703 HydrophobicContact CG-CB 4.47Å; E698-H707 IonicContact OE1-CE1 2.78Å; E698-H707 PolarHBondContact OE1-CE1 3.16Å; E698-H707 IonicContact OE2-CE1 3.56Å; E698-H707 PolarHBondContact OE2-CE1 3.07Å; E698-H707 IonicContact OE2-ND1 3.44Å; E698-H707 PolarHBondContact OE2-ND1 3.39Å; E698-S710 WeakPolarHBondContact OE2-CB 3.44Å; E698-S710 PolarHBondContact OE2-OG 3.24Å
699	S	73.1	Confident	81.9	Confident	96 Å²	96	63.6 Å²	63.6	67%	0.671	34%	0.335	S	S	*	.			trans	-96.5	-18.5	-176.7	61	0	0	0	0	112.8
700	I	78.1	Confident	83.1	Confident	44 Å²	44	59.8 Å²	59.8	23%	0.226	31%	0.311	C	S	.	.	S	Bend	trans	-101.6	100.4	-175.6	-52.1	176.6	0	0	0	109.4	E698 G702 I703 Y737 L739	E698-I700 PolarHBondContact OE1-N 2.88Å; E698-I700 VanDerWaalsContact OE1-N 3.12Å; I700-G702 PolarHBondContact O-N 3.13Å; I700-I703 HydrophobicContact CB-CD1 3.75Å; I700-I703 HydrophobicContact CB-CG1 4.1Å; I700-I703 HydrophobicContact CD1-CD1 3.9Å; I700-I703 HydrophobicContact CG1-CD1 4.38Å; I700-I703 HydrophobicContact CG2-CD1 3.77Å; I700-I703 HydrophobicContact CG2-CG1 3.9Å; I700-I703 PolarHBondContact O-N 3.05Å; I700-Y737 HydrophobicContact CG2-CD1 3.68Å; I700-Y737 HydrophobicContact CG2-CE1 4.26Å; I700-Y737 HydrophobicContact CG2-CG 4.39Å; I700-L739 HydrophobicContact CD1-CD2 3.94Å
701	K	77	Confident	83.8	Confident	208 Å²	208	56 Å²	56	90%	0.904	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	126	175	-73.3	-173.5	175.4	-177.7	0	110.7
702	G	76.8	Confident	84.3	Confident	56 Å²	56	54.6 Å²	54.6	58%	0.577	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	-15.1	177.2	0	0	0	0	0	114.9	I700 Y737	I700-G702 PolarHBondContact O-N 3.13Å; G702-Y737 VanDerWaalsContact C-OH 3.24Å; G702-Y737 PolarHBondContact O-OH 2.69Å
703	I	85	Confident	84.4	Confident	10 Å²	10	56.5 Å²	56.5	5%	0.051	30%	0.301	C	S	.	.			trans	-76.7	131.6	172.5	-62.2	-170.2	0	0	0	110	E698 I700 Y705 Y737 L739	E698-I703 HydrophobicContact CG-CB 4.47Å; I700-I703 HydrophobicContact CB-CD1 3.75Å; I700-I703 HydrophobicContact CB-CG1 4.1Å; I700-I703 HydrophobicContact CD1-CD1 3.9Å; I700-I703 HydrophobicContact CG1-CD1 4.38Å; I700-I703 HydrophobicContact CG2-CD1 3.77Å; I700-I703 HydrophobicContact CG2-CG1 3.9Å; I700-I703 PolarHBondContact O-N 3.05Å; I703-Y705 HydrophobicContact CG2-CD1 4.22Å; I703-Y705 HydrophobicContact CG2-CD2 4.12Å; I703-Y705 HydrophobicContact CG2-CE1 4.14Å; I703-Y705 HydrophobicContact CG2-CE2 4Å; I703-Y705 HydrophobicContact CG2-CG 4.2Å; I703-Y705 WeakPolarHBondContact CG2-O 3.21Å; I703-Y737 HydrophobicContact CD1-CD1 4.3Å; I703-Y737 HydrophobicContact CD1-CD2 4.11Å; I703-Y737 HydrophobicContact CD1-CG 3.87Å; I703-Y737 HydrophobicContact CG1-CD1 3.93Å; I703-Y737 HydrophobicContact CG1-CD2 3.74Å; I703-Y737 HydrophobicContact CG1-CE1 4.07Å; I703-Y737 HydrophobicContact CG1-CE2 3.88Å; I703-Y737 HydrophobicContact CG1-CG 3.76Å; I703-L739 HydrophobicContact CD1-CD1 3.69Å
704	D	82.9	Confident	84.8	Confident	63 Å²	63	54.9 Å²	54.9	34%	0.337	29%	0.292	S	S	.	.			trans	-117.3	6	177.4	84	-31.3	0	0	0	113.8	K725	D704-K725 WeakPolarHBondContact O-CB 3.4Å; D704-K725 VanDerWaalsContact O-CD 3.29Å; D704-K725 WeakPolarHBondContact O-CD 3.46Å; D704-K725 IonicContact OD1-NZ 3.64Å; D704-K725 PolarHBondContact OD1-NZ 3.39Å; D704-K725 IonicContact OD2-NZ 2.62Å; D704-K725 PolarHBondContact OD2-NZ 3.31Å
705	Y	89.6	Confident	85.3	Confident	12 Å²	12	57.3 Å²	57.3	5%	0.047	30%	0.301	C	S	.	.	S	Bend	trans	-122.5	149.4	178.5	57.7	-95.9	0	0	0	111.3	I703 K725 Q729 D734 L739	I703-Y705 HydrophobicContact CG2-CD1 4.22Å; I703-Y705 HydrophobicContact CG2-CD2 4.12Å; I703-Y705 HydrophobicContact CG2-CE1 4.14Å; I703-Y705 HydrophobicContact CG2-CE2 4Å; I703-Y705 HydrophobicContact CG2-CG 4.2Å; I703-Y705 WeakPolarHBondContact CG2-O 3.21Å; Y705-K725 CarbonylContact C-O 3.23Å; Y705-K725 WeakPolarHBondContact CA-O 3.17Å; Y705-Q729 HydrophobicContact CD1-CB 4.35Å; Y705-Q729 HydrophobicContact CD2-CB 4.24Å; Y705-Q729 HydrophobicContact CE1-CB 3.99Å; Y705-Q729 HydrophobicContact CE1-CG 4.34Å; Y705-Q729 HydrophobicContact CE2-CB 3.9Å; Y705-Q729 HydrophobicContact CG-CB 4.47Å; Y705-D734 WeakPolarHBondContact OH-CB 3.4Å; Y705-D734 VanDerWaalsContact OH-CG 3.25Å; Y705-D734 PolarHBondContact OH-OD2 2.98Å; Y705-L739 HydrophobicContact CE2-CD1 4.4Å
706	L	91.8	Very high	85.6	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.283	C	S	.	.			trans	-74.3	131.4	178.2	-62.7	-179.4	0	0	0	110.5	I697 L711 M714 I724 K725 L726 S730 L755	I697-L706 HydrophobicContact CD1-CD2 4.06Å; L706-L711 HydrophobicContact CB-CD2 4.41Å; L706-L711 HydrophobicContact CB-CG 4.3Å; L706-L711 HydrophobicContact CD1-CD2 3.92Å; L706-M714 HydrophobicContact CD1-CE 4.47Å; L706-M714 HydrophobicContact CD1-SD 3.84Å; L706-M714 HydrophobicContact CD2-SD 3.92Å; L706-I724 HydrophobicContact CD1-CG2 3.9Å; L706-K725 PolarHBondContact N-O 2.81Å; L706-L726 HydrophobicContact CB-CD2 4.06Å; L706-S730 VanDerWaalsContact O-CB 3.22Å; L706-S730 WeakPolarHBondContact O-CB 3.48Å; L706-S730 PolarHBondContact O-OG 3.49Å; L706-L755 HydrophobicContact CD1-CD2 4.31Å
707	H	92.1	Very high	86.1	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.009	25%	0.252	C	S	.	.			trans	-117.8	177.5	170.7	79.6	-63.4	0	0	0	110.4	E698 K709 S710 L711 L739 E744	E698-H707 IonicContact OE1-CE1 2.78Å; E698-H707 PolarHBondContact OE1-CE1 3.16Å; E698-H707 IonicContact OE2-CE1 3.56Å; E698-H707 PolarHBondContact OE2-CE1 3.07Å; E698-H707 IonicContact OE2-ND1 3.44Å; E698-H707 PolarHBondContact OE2-ND1 3.39Å; H707-K709 VanDerWaalsContact C-N 3.29Å; H707-K709 PolarHBondContact O-N 2.86Å; H707-S710 PolarHBondContact N-OG 2.86Å; H707-S710 PolarHBondContact ND1-OG 3.02Å; H707-S710 PolarHBondContact O-N 3.22Å; H707-L711 PolarHBondContact O-N 2.63Å; H707-L711 VanDerWaalsContact O-N 3.1Å; H707-L739 HydrophobicContact CB-CD1 4.22Å; H707-E744 IonicContact CD2-OE2 2.77Å; H707-E744 PolarHBondContact CD2-OE2 3.09Å; H707-E744 VanDerWaalsContact CD2-OE2 3.3Å; H707-E744 IonicContact NE2-OE2 2.76Å
708	R	91.3	Very high	86.3	Confident	69 Å²	69	47.3 Å²	47.3	26%	0.26	25%	0.253	S	S	.	.	H	α-helix	trans	-61	-31.6	-171.3	-176.8	169.7	167	-129.5	-13.2	114.1	H712 D743 E744 D750	R708-H712 PolarHBondContact O-CD2 2.94Å; R708-H712 PolarHBondContact O-N 2.86Å; R708-D743 WeakPolarHBondContact CD-O 3.5Å; R708-D743 PolarHBondContact NH1-O 3.39Å; R708-E744 WeakPolarHBondContact CB-O 3.45Å; R708-E744 PolarHBondContact N-O 3.46Å; R708-E744 VanDerWaalsContact N-O 3.14Å; R708-D750 HydrophobicContact CG-CB 4.27Å; R708-D750 IonicContact NE-OD1 3.37Å; R708-D750 PolarHBondContact NE-OD1 2.94Å; R708-D750 IonicContact NE-OD2 3.48Å
709	K	88.3	Confident	86.5	Confident	86 Å²	86	48 Å²	48	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-67.2	-53.8	173.4	-70.5	-175.3	-170.8	99.2	0	112.7	H707 L711 H712 A713 E744	H707-K709 VanDerWaalsContact C-N 3.29Å; H707-K709 PolarHBondContact O-N 2.86Å; K709-L711 PolarHBondContact O-N 3.13Å; K709-H712 PolarHBondContact O-N 2.93Å; K709-A713 PolarHBondContact O-N 3.32Å; K709-E744 VanDerWaalsContact CE-OE1 3.29Å; K709-E744 WeakPolarHBondContact CE-OE1 3.19Å; K709-E744 IonicContact NZ-OE1 2.68Å; K709-E744 PolarHBondContact NZ-OE1 3.3Å; K709-E744 IonicContact NZ-OE2 2.76Å
710	S	91.2	Very high	87.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-35.8	-177.3	12.4	0	0	0	0	111.1	E698 H707 H712 A713 M714	E698-S710 WeakPolarHBondContact OE2-CB 3.44Å; E698-S710 PolarHBondContact OE2-OG 3.24Å; H707-S710 PolarHBondContact N-OG 2.86Å; H707-S710 PolarHBondContact ND1-OG 3.02Å; H707-S710 PolarHBondContact O-N 3.22Å; S710-H712 VanDerWaalsContact C-N 3.34Å; S710-H712 PolarHBondContact O-N 3.13Å; S710-A713 PolarHBondContact O-N 3.49Å; S710-M714 VanDerWaalsContact O-CG 3.25Å; S710-M714 WeakPolarHBondContact O-CG 3.3Å; S710-M714 PolarHBondContact O-N 3.22Å
711	L	93.2	Very high	87.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-33.1	171.1	-74.9	173.5	0	0	0	114.5	L706 H707 K709 M714 V746 D750 L751 G754 L755	L706-L711 HydrophobicContact CB-CD2 4.41Å; L706-L711 HydrophobicContact CB-CG 4.3Å; L706-L711 HydrophobicContact CD1-CD2 3.92Å; H707-L711 PolarHBondContact O-N 2.63Å; H707-L711 VanDerWaalsContact O-N 3.1Å; K709-L711 PolarHBondContact O-N 3.13Å; L711-M714 HydrophobicContact CD2-SD 4.43Å; L711-V746 HydrophobicContact CD1-CB 4.23Å; L711-V746 HydrophobicContact CD1-CG1 3.51Å; L711-V746 HydrophobicContact CD1-CG2 3.63Å; L711-D750 HydrophobicContact CD1-CB 4.45Å; L711-L751 HydrophobicContact CD1-CD2 3.95Å; L711-L751 HydrophobicContact CD1-CG 4.48Å; L711-L751 HydrophobicContact CD2-CD2 4.49Å; L711-G754 WeakPolarHBondContact O-CA 2.97Å; L711-G754 PolarHBondContact O-N 3.03Å; L711-L755 HydrophobicContact CD2-CD1 3.95Å; L711-L755 HydrophobicContact CD2-CD2 4.17Å; L711-L755 HydrophobicContact CD2-CG 3.81Å
712	H	91.3	Very high	88.1	Confident	75 Å²	75	36.9 Å²	36.9	35%	0.347	20%	0.202	S	C	.	.	H	α-helix	trans	-77.9	-34	173.7	-80.9	-117.7	0	0	0	112	R708 K709 S710 M714 E715 D750	R708-H712 PolarHBondContact O-CD2 2.94Å; R708-H712 PolarHBondContact O-N 2.86Å; K709-H712 PolarHBondContact O-N 2.93Å; S710-H712 VanDerWaalsContact C-N 3.34Å; S710-H712 PolarHBondContact O-N 3.13Å; H712-M714 PolarHBondContact O-N 3.33Å; H712-E715 WeakPolarHBondContact O-CB 3.18Å; H712-E715 PolarHBondContact O-N 2.95Å; H712-E715 VanDerWaalsContact O-N 3.16Å; H712-D750 IonicContact CD2-OD1 2.69Å; H712-D750 IonicContact CE1-OD1 3.06Å; H712-D750 IonicContact NE2-OD1 2.78Å; H712-D750 PolarHBondContact NE2-OD1 2.82Å
713	A	89.7	Confident	88.6	Confident	44 Å²	44	35.2 Å²	35.2	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-64.3	-28.1	170.4	0	0	0	0	0	112.5	K690 I697 K709 S710 E715	K690-A713 PolarHBondContact NZ-O 3.19Å; K690-A713 VanDerWaalsContact NZ-O 3.17Å; I697-A713 HydrophobicContact CB-CB 3.88Å; I697-A713 HydrophobicContact CG2-CB 4.08Å; K709-A713 PolarHBondContact O-N 3.32Å; S710-A713 PolarHBondContact O-N 3.49Å; A713-E715 PolarHBondContact O-N 3.02Å
714	M	92.1	Very high	89	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1	173.4	-71.8	177.1	80.5	0	0	114.9	I697 L706 S710 L711 H712 N716 C717 F720 I724 G754 L755	I697-M714 HydrophobicContact CB-CG 4.46Å; I697-M714 HydrophobicContact CD1-CG 3.44Å; I697-M714 VanDerWaalsContact CD1-CG 3.44Å; I697-M714 HydrophobicContact CD1-SD 3.58Å; I697-M714 VanDerWaalsContact CD1-SD 3.58Å; I697-M714 HydrophobicContact CG2-CG 4.1Å; L706-M714 HydrophobicContact CD1-CE 4.47Å; L706-M714 HydrophobicContact CD1-SD 3.84Å; L706-M714 HydrophobicContact CD2-SD 3.92Å; S710-M714 VanDerWaalsContact O-CG 3.25Å; S710-M714 WeakPolarHBondContact O-CG 3.3Å; S710-M714 PolarHBondContact O-N 3.22Å; L711-M714 HydrophobicContact CD2-SD 4.43Å; H712-M714 PolarHBondContact O-N 3.33Å; M714-N716 PolarHBondContact O-N 3.43Å; M714-C717 VanDerWaalsContact C-SG 3.56Å; M714-C717 WeakPolarHBondContact CA-SG 3.47Å; M714-C717 VanDerWaalsContact O-CB 3.3Å; M714-C717 WeakPolarHBondContact O-CB 3.47Å; M714-C717 PolarHBondContact O-N 3.48Å; M714-C717 PolarHBondContact O-SG 3.05Å; M714-F720 HydrophobicContact CE-CB 4.42Å; M714-F720 HydrophobicContact CE-CD2 3.77Å; M714-F720 HydrophobicContact CE-CE2 4.26Å; M714-F720 HydrophobicContact CE-CG 4.08Å; M714-I724 HydrophobicContact CE-CD1 4.15Å; M714-G754 WeakPolarHBondContact CB-O 3.31Å; M714-L755 HydrophobicContact CE-CD2 3.59Å; M714-L755 HydrophobicContact SD-CD2 4.26Å
715	E	88.6	Confident	89.4	Confident	107 Å²	107	33.3 Å²	33.3	50%	0.5	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	128.9	179.4	-172.6	172.3	-142.5	0	0	111.6	K690 H712 A713 C717 I753	K690-E715 PolarHBondContact NZ-O 2.96Å; H712-E715 WeakPolarHBondContact O-CB 3.18Å; H712-E715 PolarHBondContact O-N 2.95Å; H712-E715 VanDerWaalsContact O-N 3.16Å; A713-E715 PolarHBondContact O-N 3.02Å; E715-C717 VanDerWaalsContact C-N 3.28Å; E715-C717 PolarHBondContact O-N 3.07Å; E715-I753 HydrophobicContact CB-CG2 4.01Å; E715-I753 HydrophobicContact CG-CG2 4.12Å
716	N	82.1	Confident	89.6	Confident	77 Å²	77	32.8 Å²	32.8	41%	0.412	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	14.2	-173.1	-60.5	-61.4	0	0	0	117.1	K690 M714 T718	K690-N716 WeakPolarHBondContact CB-O 3.25Å; M714-N716 PolarHBondContact O-N 3.43Å; N716-T718 PolarHBondContact O-N 3.27Å
717	C	89	Confident	89.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.			trans	-65.5	132.1	169.8	-63.8	0	0	0	0	111.3	K690 C692 M714 E715 K757 L758	K690-C717 PolarHBondContact NZ-SG 3.15Å; K690-C717 VanDerWaalsContact NZ-SG 3.39Å; C692-C717 HydrophobicContact CB-CB 3.91Å; C692-C717 WeakPolarHBondContact CB-SG 3.37Å; C692-C717 WeakPolarHBondContact SG-CB 3.15Å; C692-C717 CovalentContact SG-SG 2.02Å; C692-C717 PolarHBondContact SG-SG 2.68Å; M714-C717 VanDerWaalsContact C-SG 3.56Å; M714-C717 WeakPolarHBondContact CA-SG 3.47Å; M714-C717 VanDerWaalsContact O-CB 3.3Å; M714-C717 WeakPolarHBondContact O-CB 3.47Å; M714-C717 PolarHBondContact O-N 3.48Å; M714-C717 PolarHBondContact O-SG 3.05Å; E715-C717 VanDerWaalsContact C-N 3.28Å; E715-C717 PolarHBondContact O-N 3.07Å; C717-K757 CarbonylContact O-C 3.59Å; C717-K757 WeakPolarHBondContact O-CB 3.44Å; C717-L758 HydrophobicContact CB-CD1 4.24Å; C717-L758 PolarHBondContact O-N 3.34Å
718	T	86.5	Confident	89.5	Confident	16 Å²	16	36.5 Å²	36.5	10%	0.098	19%	0.185	C	C	.	.	S	Bend	trans	-108.1	-27.5	177.3	59.7	0	0	0	0	112.3	I687 P689 K690 N716 E759 Y760	I687-T718 HydrophobicContact CG2-CG2 4.34Å; P689-T718 WeakPolarHBondContact CA-OG1 3.47Å; K690-T718 PolarHBondContact N-OG1 3.03Å; K690-T718 PolarHBondContact O-N 3.41Å; K690-T718 PolarHBondContact O-OG1 3.13Å; N716-T718 PolarHBondContact O-N 3.27Å; T718-E759 PolarHBondContact O-N 3.15Å; T718-Y760 PolarHBondContact O-N 2.96Å
719	V	87.9	Confident	89.4	Confident	39 Å²	39	36.5 Å²	36.5	24%	0.236	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.6	174.3	177.1	0	0	0	0	108.4	K690 I691 C692	K690-V719 PolarHBondContact O-N 3.12Å; I691-V719 HydrophobicContact CG1-CB 4.24Å; I691-V719 HydrophobicContact CG2-CG1 4.41Å; C692-V719 PolarHBondContact N-O 3.26Å
720	F	90.2	Very high	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.5	171.5	-171.8	-107.9	0	0	0	110.9	C692 L694 I697 M714 D723 I724 L758 Y760 T762	C692-F720 HydrophobicContact CB-CD2 4.32Å; C692-F720 WeakPolarHBondContact O-CA 3.22Å; C692-F720 WeakPolarHBondContact O-CD2 3.32Å; L694-F720 HydrophobicContact CB-CZ 4.07Å; L694-F720 HydrophobicContact CD1-CZ 4.17Å; I697-F720 HydrophobicContact CD1-CD2 4.49Å; I697-F720 HydrophobicContact CD1-CE2 3.54Å; I697-F720 HydrophobicContact CD1-CZ 4.07Å; I697-F720 HydrophobicContact CG1-CE2 4.31Å; M714-F720 HydrophobicContact CE-CB 4.42Å; M714-F720 HydrophobicContact CE-CD2 3.77Å; M714-F720 HydrophobicContact CE-CE2 4.26Å; M714-F720 HydrophobicContact CE-CG 4.08Å; F720-D723 WeakPolarHBondContact CE1-O 3.43Å; F720-I724 HydrophobicContact CB-CD1 4.22Å; F720-I724 HydrophobicContact CD1-CD1 3.98Å; F720-I724 HydrophobicContact CD1-CG1 3.53Å; F720-I724 HydrophobicContact CE1-CG1 3.96Å; F720-I724 HydrophobicContact CG-CD1 4.22Å; F720-I724 HydrophobicContact CG-CG1 4.26Å; F720-L758 HydrophobicContact CB-CD1 3.91Å; F720-L758 HydrophobicContact CB-CD2 4.18Å; F720-Y760 PolarHBondContact N-O 3.1Å; F720-T762 PolarHBondContact O-N 3.39Å; F720-T762 VanDerWaalsContact O-N 3.12Å
721	E	86.5	Confident	89.7	Confident	103 Å²	103	32.7 Å²	32.7	48%	0.481	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.7	172.1	-79.7	-162.3	138.9	0	0	110.8	I691 C692 T693 T762	I691-E721 HydrophobicContact CG2-CG 4.4Å; C692-E721 PolarHBondContact O-N 3.22Å; T693-E721 HydrophobicContact CG2-CB 4.11Å; E721-T762 WeakPolarHBondContact CA-OG1 3.43Å; E721-T762 HydrophobicContact CG-CG2 4.01Å
722	G	84.8	Confident	89.5	Confident	13 Å²	13	35.4 Å²	35.4	13%	0.134	19%	0.185	C	C	.	.	S	Bend	trans	130.5	-167.9	-176.7	0	0	0	0	0	113.1	T762 G763	G722-T762 PolarHBondContact N-OG1 3.2Å; G722-T762 VanDerWaalsContact N-OG1 3.13Å; G722-G763 VanDerWaalsContact O-CA 3.24Å; G722-G763 WeakPolarHBondContact O-CA 3.36Å; G722-G763 PolarHBondContact O-N 3.07Å
723	D	87.3	Confident	89.1	Confident	21 Å²	21	32 Å²	32	11%	0.112	17%	0.17	C	C	.	.			trans	-92.5	137.1	178.3	-61.1	-59	0	0	0	111.5	F720 T764 S792	F720-D723 WeakPolarHBondContact CE1-O 3.43Å; D723-T764 VanDerWaalsContact CG-OG1 3.31Å; D723-T764 WeakPolarHBondContact OD1-CB 3.21Å; D723-T764 PolarHBondContact OD1-N 3.43Å; D723-T764 PolarHBondContact OD1-OG1 2.96Å; D723-S792 VanDerWaalsContact CG-OG 3.31Å; D723-S792 VanDerWaalsContact OD1-CB 3.23Å; D723-S792 WeakPolarHBondContact OD1-CB 3.49Å; D723-S792 PolarHBondContact OD1-OG 3.06Å; D723-S792 WeakPolarHBondContact OD2-CB 3.44Å; D723-S792 PolarHBondContact OD2-OG 3.12Å
724	I	91.9	Very high	88.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105.3	171.3	-66.2	-164.6	0	0	0	109	L706 M714 F720 L755 L758 I761 T764 L765 Y766	L706-I724 HydrophobicContact CD1-CG2 3.9Å; M714-I724 HydrophobicContact CE-CD1 4.15Å; F720-I724 HydrophobicContact CB-CD1 4.22Å; F720-I724 HydrophobicContact CD1-CD1 3.98Å; F720-I724 HydrophobicContact CD1-CG1 3.53Å; F720-I724 HydrophobicContact CE1-CG1 3.96Å; F720-I724 HydrophobicContact CG-CD1 4.22Å; F720-I724 HydrophobicContact CG-CG1 4.26Å; I724-L755 HydrophobicContact CD1-CD2 3.92Å; I724-L758 HydrophobicContact CD1-CD2 3.36Å; I724-I761 HydrophobicContact CB-CD1 4.41Å; I724-I761 HydrophobicContact CD1-CD1 3.81Å; I724-I761 HydrophobicContact CD1-CG1 3.9Å; I724-I761 HydrophobicContact CG1-CD1 4.25Å; I724-I761 HydrophobicContact CG1-CG1 4.41Å; I724-I761 HydrophobicContact CG1-CG2 4.31Å; I724-T764 PolarHBondContact N-O 2.88Å; I724-L765 HydrophobicContact CB-CD1 4.04Å; I724-L765 HydrophobicContact CG2-CD1 3.76Å; I724-L765 WeakPolarHBondContact O-CA 3.33Å; I724-Y766 PolarHBondContact O-N 2.86Å
725	K	92.1	Very high	88.1	Confident	33 Å²	33	37 Å²	37	14%	0.143	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.3	-177.7	-176.2	-171.6	-177.4	-170.3	0	111	D704 Y705 L706 Y766	D704-K725 WeakPolarHBondContact O-CB 3.4Å; D704-K725 VanDerWaalsContact O-CD 3.29Å; D704-K725 WeakPolarHBondContact O-CD 3.46Å; D704-K725 IonicContact OD1-NZ 3.64Å; D704-K725 PolarHBondContact OD1-NZ 3.39Å; D704-K725 IonicContact OD2-NZ 2.62Å; D704-K725 PolarHBondContact OD2-NZ 3.31Å; Y705-K725 CarbonylContact C-O 3.23Å; Y705-K725 WeakPolarHBondContact CA-O 3.17Å; L706-K725 PolarHBondContact N-O 2.81Å; K725-Y766 HydrophobicContact CG-CD1 3.69Å; K725-Y766 HydrophobicContact CG-CE1 4.4Å; K725-Y766 HydrophobicContact CG-CG 4.07Å
726	L	94	Very high	87.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	87.6	171.9	-69.4	168.7	0	0	0	108.6	L706 F731 L751 L755 Y766 I767 S768 F781	L706-L726 HydrophobicContact CB-CD2 4.06Å; L726-F731 HydrophobicContact CB-CE2 4.3Å; L726-F731 HydrophobicContact CB-CZ 4.19Å; L726-L751 HydrophobicContact CD1-CD2 3.57Å; L726-L751 HydrophobicContact CD2-CD2 3.84Å; L726-L751 HydrophobicContact CG-CD2 4.39Å; L726-L755 HydrophobicContact CD1-CD1 4.33Å; L726-Y766 PolarHBondContact N-O 3.38Å; L726-I767 HydrophobicContact CB-CG1 4.49Å; L726-I767 HydrophobicContact CD1-CG1 4.45Å; L726-I767 WeakPolarHBondContact O-CA 3.25Å; L726-S768 PolarHBondContact O-N 3.43Å; L726-F781 HydrophobicContact CD1-CE2 4.11Å; L726-F781 HydrophobicContact CD1-CZ 4.32Å
727	S	91.9	Very high	87.7	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.021	20%	0.201	C	C	.	.			trans	-93.5	179.7	179.6	67.2	0	0	0	0	111.8	Q729 S730 F731 S768	S727-Q729 PolarHBondContact O-N 3.13Å; S727-Q729 PolarHBondContact OG-OE1 3.42Å; S727-S730 PolarHBondContact N-OG 3.49Å; S727-S730 VanDerWaalsContact O-CB 3.23Å; S727-S730 WeakPolarHBondContact O-CB 3.23Å; S727-S730 PolarHBondContact O-N 2.89Å; S727-F731 WeakPolarHBondContact O-CD2 3.27Å; S727-F731 WeakPolarHBondContact O-CE2 3.2Å; S727-S768 CarbonylContact C-O 3.43Å; S727-S768 WeakPolarHBondContact CA-O 3.18Å
728	M	90.3	Very high	87.2	Confident	80 Å²	80	46.3 Å²	46.3	39%	0.394	24%	0.239	S	C	.	.	H	α-helix	trans	-54.1	-38.1	177.9	-170	173.1	73.4	0	0	111.7	S730 F731 I732 S768	M728-S730 VanDerWaalsContact C-N 3.31Å; M728-S730 PolarHBondContact O-N 2.8Å; M728-F731 PolarHBondContact O-N 3.21Å; M728-I732 HydrophobicContact CE-CD1 3.89Å; M728-I732 HydrophobicContact CG-CD1 4.04Å; M728-I732 HydrophobicContact CG-CG1 4.42Å; M728-I732 HydrophobicContact CG-CG2 4.25Å; M728-I732 WeakPolarHBondContact O-CG1 3.44Å; M728-I732 PolarHBondContact O-N 2.63Å; M728-I732 HydrophobicContact SD-CD1 4.46Å; M728-S768 PolarHBondContact N-O 3.04Å
729	Q	89.3	Confident	87	Confident	69 Å²	69	46 Å²	46	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-57.8	-37.1	175.1	-66.8	76.9	8.9	0	0	112.8	Y705 S727 F731 I732 G733 D734	Y705-Q729 HydrophobicContact CD1-CB 4.35Å; Y705-Q729 HydrophobicContact CD2-CB 4.24Å; Y705-Q729 HydrophobicContact CE1-CB 3.99Å; Y705-Q729 HydrophobicContact CE1-CG 4.34Å; Y705-Q729 HydrophobicContact CE2-CB 3.9Å; Y705-Q729 HydrophobicContact CG-CB 4.47Å; S727-Q729 PolarHBondContact O-N 3.13Å; S727-Q729 PolarHBondContact OG-OE1 3.42Å; Q729-F731 PolarHBondContact O-N 3.34Å; Q729-F731 VanDerWaalsContact O-N 3.14Å; Q729-I732 PolarHBondContact O-N 2.74Å; Q729-G733 WeakPolarHBondContact CA-O 3.36Å; Q729-G733 CarbonylContact O-C 3.56Å; Q729-G733 WeakPolarHBondContact O-CA 3.31Å; Q729-G733 PolarHBondContact O-N 3.16Å; Q729-G733 VanDerWaalsContact O-O 3.13Å; Q729-D734 HydrophobicContact CB-CB 4.38Å; Q729-D734 HydrophobicContact CG-CB 4.38Å
730	S	93	Very high	86.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-57.4	-29.6	173.5	-58.2	0	0	0	0	112.5	L706 S727 M728 V746	L706-S730 VanDerWaalsContact O-CB 3.22Å; L706-S730 WeakPolarHBondContact O-CB 3.48Å; L706-S730 PolarHBondContact O-OG 3.49Å; S727-S730 PolarHBondContact N-OG 3.49Å; S727-S730 VanDerWaalsContact O-CB 3.23Å; S727-S730 WeakPolarHBondContact O-CB 3.23Å; S727-S730 PolarHBondContact O-N 2.89Å; M728-S730 VanDerWaalsContact C-N 3.31Å; M728-S730 PolarHBondContact O-N 2.8Å; S730-V746 VanDerWaalsContact O-CB 3.28Å; S730-V746 WeakPolarHBondContact O-CB 3.45Å; S730-V746 VanDerWaalsContact O-CG2 3.25Å; S730-V746 WeakPolarHBondContact O-CG2 3.11Å; S730-V746 PolarHBondContact O-N 2.89Å
731	F	92.1	Very high	86	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-104.1	-22.6	-175.7	-53.2	-76.5	0	0	0	114.3	L726 S727 M728 Q729 Q741 V746 A769 H772 A773 W775 M776	L726-F731 HydrophobicContact CB-CE2 4.3Å; L726-F731 HydrophobicContact CB-CZ 4.19Å; S727-F731 WeakPolarHBondContact O-CD2 3.27Å; S727-F731 WeakPolarHBondContact O-CE2 3.2Å; M728-F731 PolarHBondContact O-N 3.21Å; Q729-F731 PolarHBondContact O-N 3.34Å; Q729-F731 VanDerWaalsContact O-N 3.14Å; F731-Q741 WeakPolarHBondContact O-CG 3.25Å; F731-Q741 PolarHBondContact O-NE2 2.73Å; F731-V746 HydrophobicContact CD1-CB 4.36Å; F731-V746 HydrophobicContact CE1-CB 4.47Å; F731-V746 HydrophobicContact CE1-CG1 4.35Å; F731-A769 HydrophobicContact CD2-CB 3.62Å; F731-A769 HydrophobicContact CE2-CB 3.4Å; F731-A769 HydrophobicContact CG-CB 4.3Å; F731-A769 HydrophobicContact CZ-CB 3.91Å; F731-H772 HydrophobicContact CB-CB 4.19Å; F731-A773 HydrophobicContact CD1-CB 3.87Å; F731-A773 HydrophobicContact CE1-CB 4.06Å; F731-A773 HydrophobicContact CG-CB 4.25Å; F731-W775 HydrophobicContact CD1-CH2 4.12Å; F731-W775 HydrophobicContact CD1-CZ2 4.04Å; F731-W775 AromaticContact CE1-CH2 3.91Å; F731-W775 HydrophobicContact CE1-CH2 3.91Å; F731-W775 HydrophobicContact CE1-CZ2 4.29Å; F731-M776 HydrophobicContact CE1-SD 4.44Å; F731-M776 HydrophobicContact CZ-CE 4.49Å; F731-M776 HydrophobicContact CZ-SD 4.23Å
732	I	88.5	Confident	85.4	Confident	56 Å²	56	52.6 Å²	52.6	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-107.2	-2.8	177.2	77.2	175.7	0	0	0	113.9	M728 Q729 Q741 H772	M728-I732 HydrophobicContact CE-CD1 3.89Å; M728-I732 HydrophobicContact CG-CD1 4.04Å; M728-I732 HydrophobicContact CG-CG1 4.42Å; M728-I732 HydrophobicContact CG-CG2 4.25Å; M728-I732 WeakPolarHBondContact O-CG1 3.44Å; M728-I732 PolarHBondContact O-N 2.63Å; M728-I732 HydrophobicContact SD-CD1 4.46Å; Q729-I732 PolarHBondContact O-N 2.74Å; I732-Q741 VanDerWaalsContact O-CB 3.29Å; I732-Q741 WeakPolarHBondContact O-CB 3.29Å; I732-H772 HydrophobicContact CG2-CB 3.68Å; I732-H772 WeakPolarHBondContact CG2-ND1 3.03Å
733	G	82.7	Confident	84.7	Confident	4 Å²	4	54.7 Å²	54.7	4%	0.041	28%	0.281	C	S	.	.			trans	74.1	-171.8	-165.7	0	0	0	0	0	112	Q729 L739	Q729-G733 WeakPolarHBondContact CA-O 3.36Å; Q729-G733 CarbonylContact O-C 3.56Å; Q729-G733 WeakPolarHBondContact O-CA 3.31Å; Q729-G733 PolarHBondContact O-N 3.16Å; Q729-G733 VanDerWaalsContact O-O 3.13Å; G733-L739 CarbonylContact C-O 3.55Å; G733-L739 WeakPolarHBondContact CA-O 3.39Å
734	D	83.8	Confident	84.3	Confident	26 Å²	26	54 Å²	54	14%	0.139	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-148.8	107.2	179.5	-171.2	-19.9	0	0	0	109.1	Y705 Q729 F736 Y737 N738 L739	Y705-D734 WeakPolarHBondContact OH-CB 3.4Å; Y705-D734 VanDerWaalsContact OH-CG 3.25Å; Y705-D734 PolarHBondContact OH-OD2 2.98Å; Q729-D734 HydrophobicContact CB-CB 4.38Å; Q729-D734 HydrophobicContact CG-CB 4.38Å; D734-F736 PolarHBondContact O-N 3.29Å; D734-F736 VanDerWaalsContact OD1-CB 3.31Å; D734-F736 WeakPolarHBondContact OD1-CB 3.2Å; D734-F736 PolarHBondContact OD1-N 3.04Å; D734-Y737 PolarHBondContact O-N 2.92Å; D734-Y737 WeakPolarHBondContact OD2-CD2 3.29Å; D734-N738 PolarHBondContact O-N 2.8Å; D734-L739 CarbonylContact C-O 3.39Å; D734-L739 HydrophobicContact CB-CB 4.45Å; D734-L739 PolarHBondContact N-O 3.37Å; D734-L739 PolarHBondContact O-N 2.96Å
735	P	77.3	Confident	83.9	Confident	123 Å²	123	54.1 Å²	54.1	80%	0.799	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-58.9	-27.2	179.1	-26	35.6	0	0	0	114	Y737 N738	P735-Y737 PolarHBondContact O-N 3.09Å; P735-N738 PolarHBondContact O-N 3.12Å
736	F	81.3	Confident	83.9	Confident	166 Å²	166	52.7 Å²	52.7	73%	0.728	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66.5	-39.1	-178.2	-175.2	-93.5	0	0	0	111.9	D734 N738	D734-F736 PolarHBondContact O-N 3.29Å; D734-F736 VanDerWaalsContact OD1-CB 3.31Å; D734-F736 WeakPolarHBondContact OD1-CB 3.2Å; D734-F736 PolarHBondContact OD1-N 3.04Å; F736-N738 VanDerWaalsContact C-N 3.34Å
737	Y	81.1	Confident	83.8	Confident	66 Å²	66	57.2 Å²	57.2	26%	0.259	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-94.3	14	175	-64.8	-71.5	0	0	0	113.2	I700 G702 I703 D734 P735 L739	I700-Y737 HydrophobicContact CG2-CD1 3.68Å; I700-Y737 HydrophobicContact CG2-CE1 4.26Å; I700-Y737 HydrophobicContact CG2-CG 4.39Å; G702-Y737 VanDerWaalsContact C-OH 3.24Å; G702-Y737 PolarHBondContact O-OH 2.69Å; I703-Y737 HydrophobicContact CD1-CD1 4.3Å; I703-Y737 HydrophobicContact CD1-CD2 4.11Å; I703-Y737 HydrophobicContact CD1-CG 3.87Å; I703-Y737 HydrophobicContact CG1-CD1 3.93Å; I703-Y737 HydrophobicContact CG1-CD2 3.74Å; I703-Y737 HydrophobicContact CG1-CE1 4.07Å; I703-Y737 HydrophobicContact CG1-CE2 3.88Å; I703-Y737 HydrophobicContact CG1-CG 3.76Å; D734-Y737 PolarHBondContact O-N 2.92Å; D734-Y737 WeakPolarHBondContact OD2-CD2 3.29Å; P735-Y737 PolarHBondContact O-N 3.09Å; Y737-L739 VanDerWaalsContact C-N 3.26Å; Y737-L739 PolarHBondContact O-N 2.86Å
738	N	79.7	Confident	83.8	Confident	148 Å²	148	60.6 Å²	60.6	79%	0.791	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	38.2	-176.3	-163.2	22.9	0	0	0	113.7	D734 P735 F736	D734-N738 PolarHBondContact O-N 2.8Å; P735-N738 PolarHBondContact O-N 3.12Å; F736-N738 VanDerWaalsContact C-N 3.34Å
739	L	81.2	Confident	83.8	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-99.1	106.4	178.1	-57.8	-175.9	0	0	0	109.9	I700 I703 Y705 H707 G733 D734 Y737 E744	I700-L739 HydrophobicContact CD1-CD2 3.94Å; I703-L739 HydrophobicContact CD1-CD1 3.69Å; Y705-L739 HydrophobicContact CE2-CD1 4.4Å; H707-L739 HydrophobicContact CB-CD1 4.22Å; G733-L739 CarbonylContact C-O 3.55Å; G733-L739 WeakPolarHBondContact CA-O 3.39Å; D734-L739 CarbonylContact C-O 3.39Å; D734-L739 HydrophobicContact CB-CB 4.45Å; D734-L739 PolarHBondContact N-O 3.37Å; D734-L739 PolarHBondContact O-N 2.96Å; Y737-L739 VanDerWaalsContact C-N 3.26Å; Y737-L739 PolarHBondContact O-N 2.86Å; L739-E744 HydrophobicContact CB-CB 3.93Å; L739-E744 HydrophobicContact CB-CG 4.16Å; L739-E744 HydrophobicContact CD2-CB 4.22Å; L739-E744 HydrophobicContact CD2-CG 3.76Å
740	S	79.7	Confident	84.1	Confident	42 Å²	42	59 Å²	59	29%	0.294	29%	0.294	S	S	.	.			trans	-77	148.8	178.7	100.8	0	0	0	0	112.1	I742 D743 E744 G745	S740-I742 PolarHBondContact O-N 2.95Å; S740-I742 PolarHBondContact OG-N 3.15Å; S740-D743 PolarHBondContact O-N 3.3Å; S740-D743 WeakPolarHBondContact OG-CB 3.49Å; S740-D743 PolarHBondContact OG-N 2.97Å; S740-D743 PolarHBondContact OG-OD2 3.21Å; S740-E744 WeakPolarHBondContact O-CB 3.37Å; S740-E744 PolarHBondContact O-N 2.87Å; S740-G745 PolarHBondContact O-N 2.92Å
741	Q	77.7	Confident	84.1	Confident	99 Å²	99	59 Å²	59	46%	0.463	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.4	171.4	-169.8	166.8	37.1	0	0	112.6	F731 I732 G745	F731-Q741 WeakPolarHBondContact O-CG 3.25Å; F731-Q741 PolarHBondContact O-NE2 2.73Å; I732-Q741 VanDerWaalsContact O-CB 3.29Å; I732-Q741 WeakPolarHBondContact O-CB 3.29Å; Q741-G745 WeakPolarHBondContact O-CA 3.38Å; Q741-G745 PolarHBondContact O-N 3.35Å
742	I	74.5	Confident	84.1	Confident	139 Å²	139	61.5 Å²	61.5	71%	0.713	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-43	-172.8	-62.6	175	0	0	0	110.1	S740	S740-I742 PolarHBondContact O-N 2.95Å; S740-I742 PolarHBondContact OG-N 3.15Å
743	D	69.5	Low	84.2	Confident	57 Å²	57	61.1 Å²	61.1	31%	0.305	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-46.3	-173	-63.1	-72.8	0	0	0	113.6	R708 S740 K1892	R708-D743 WeakPolarHBondContact CD-O 3.5Å; R708-D743 PolarHBondContact NH1-O 3.39Å; S740-D743 PolarHBondContact O-N 3.3Å; S740-D743 WeakPolarHBondContact OG-CB 3.49Å; S740-D743 PolarHBondContact OG-N 2.97Å; S740-D743 PolarHBondContact OG-OD2 3.21Å; D743-K1892 HydrophobicContact CB-CD 4.05Å
744	E	78.4	Confident	84.6	Confident	8 Å²	8	61 Å²	61	4%	0.037	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-12.2	-167.5	-61	-68.1	178.2	0	0	112.9	H707 R708 K709 L739 S740 V746 K1892	H707-E744 IonicContact CD2-OE2 2.77Å; H707-E744 PolarHBondContact CD2-OE2 3.09Å; H707-E744 VanDerWaalsContact CD2-OE2 3.3Å; H707-E744 IonicContact NE2-OE2 2.76Å; R708-E744 WeakPolarHBondContact CB-O 3.45Å; R708-E744 PolarHBondContact N-O 3.46Å; R708-E744 VanDerWaalsContact N-O 3.14Å; K709-E744 VanDerWaalsContact CE-OE1 3.29Å; K709-E744 WeakPolarHBondContact CE-OE1 3.19Å; K709-E744 IonicContact NZ-OE1 2.68Å; K709-E744 PolarHBondContact NZ-OE1 3.3Å; K709-E744 IonicContact NZ-OE2 2.76Å; L739-E744 HydrophobicContact CB-CB 3.93Å; L739-E744 HydrophobicContact CB-CG 4.16Å; L739-E744 HydrophobicContact CD2-CB 4.22Å; L739-E744 HydrophobicContact CD2-CG 3.76Å; S740-E744 WeakPolarHBondContact O-CB 3.37Å; S740-E744 PolarHBondContact O-N 2.87Å; E744-V746 PolarHBondContact O-N 2.92Å; E744-K1892 IonicContact OE1-NZ 4Å; E744-K1892 PolarHBondContact OE1-NZ 3.2Å
745	G	83.5	Confident	85.1	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	30%	0.296	C	S	.	.			trans	-62.4	125.5	174.5	0	0	0	0	0	112.5	S740 Q741	S740-G745 PolarHBondContact O-N 2.92Å; Q741-G745 WeakPolarHBondContact O-CA 3.38Å; Q741-G745 PolarHBondContact O-N 3.35Å
746	V	92	Very high	85.8	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.024	27%	0.268	C	S	.	.			trans	-69.3	137.3	-176.2	174.2	0	0	0	0	111.6	L711 S730 F731 E744 L751 W775	L711-V746 HydrophobicContact CD1-CB 4.23Å; L711-V746 HydrophobicContact CD1-CG1 3.51Å; L711-V746 HydrophobicContact CD1-CG2 3.63Å; S730-V746 VanDerWaalsContact O-CB 3.28Å; S730-V746 WeakPolarHBondContact O-CB 3.45Å; S730-V746 VanDerWaalsContact O-CG2 3.25Å; S730-V746 WeakPolarHBondContact O-CG2 3.11Å; S730-V746 PolarHBondContact O-N 2.89Å; F731-V746 HydrophobicContact CD1-CB 4.36Å; F731-V746 HydrophobicContact CE1-CB 4.47Å; F731-V746 HydrophobicContact CE1-CG1 4.35Å; E744-V746 PolarHBondContact O-N 2.92Å; V746-L751 HydrophobicContact CG1-CD1 4.14Å; V746-L751 HydrophobicContact CG1-CD2 3.69Å; V746-L751 HydrophobicContact CG1-CG 3.57Å; V746-W775 VanDerWaalsContact O-CZ2 3.31Å; V746-W775 WeakPolarHBondContact O-CZ2 3.32Å
747	K	92.2	Very high	86.1	Confident	95 Å²	95	50.7 Å²	50.7	41%	0.413	25%	0.248	S	C	.	.			trans	-127.6	164.1	176.7	-53.2	174.4	-172.3	172.1	0	109.5	K749 D750 L751	K747-K749 VanDerWaalsContact C-N 3.25Å; K747-K749 PolarHBondContact O-N 3.44Å; K747-K749 VanDerWaalsContact O-N 3.09Å; K747-D750 WeakPolarHBondContact CB-OD2 3.27Å; K747-D750 PolarHBondContact N-OD2 3.28Å; K747-D750 PolarHBondContact O-N 3.35Å; K747-L751 PolarHBondContact O-N 3.14Å
748	W	92.2	Very high	86.5	Confident	73 Å²	73	47.6 Å²	47.6	28%	0.277	24%	0.236	S	C	.	.	H	α-helix	trans	-47.5	-44	-176	-173.5	-93.4	0	0	0	114.2	D750 L751 I752 W775 M776 N778 F781	W748-D750 VanDerWaalsContact C-N 3.28Å; W748-D750 PolarHBondContact O-N 2.87Å; W748-L751 PolarHBondContact O-N 3.01Å; W748-I752 HydrophobicContact CZ2-CD1 4.43Å; W748-I752 WeakPolarHBondContact O-CG1 3.27Å; W748-I752 PolarHBondContact O-N 2.83Å; W748-W775 HydrophobicContact CB-CE3 3.76Å; W748-W775 HydrophobicContact CB-CZ3 3.88Å; W748-W775 AromaticContact CE3-CE3 3.91Å; W748-W775 HydrophobicContact CE3-CE3 3.91Å; W748-W775 AromaticContact CE3-CZ3 3.91Å; W748-W775 HydrophobicContact CE3-CZ3 3.91Å; W748-W775 VanDerWaalsContact N-CZ3 3.33Å; W748-M776 HydrophobicContact CZ3-CG 4.26Å; W748-N778 WeakPolarHBondContact CH2-O 3.1Å; W748-N778 WeakPolarHBondContact CH2-OD1 3.21Å; W748-N778 WeakPolarHBondContact CZ3-O 3.43Å; W748-F781 HydrophobicContact CE3-CD1 4.42Å; W748-F781 AromaticContact CH2-CD1 3.8Å; W748-F781 HydrophobicContact CH2-CD1 3.8Å; W748-F781 HydrophobicContact CH2-CE1 4.42Å; W748-F781 HydrophobicContact CZ2-CD1 4.41Å; W748-F781 AromaticContact CZ3-CD1 3.81Å; W748-F781 HydrophobicContact CZ3-CD1 3.81Å; W748-F781 HydrophobicContact CZ3-CE1 4.09Å
749	K	90.9	Very high	87	Confident	116 Å²	116	43.7 Å²	43.7	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-34.1	179.6	70.8	168	-168.2	160.6	0	113	K747 I752 I753	K747-K749 VanDerWaalsContact C-N 3.25Å; K747-K749 PolarHBondContact O-N 3.44Å; K747-K749 VanDerWaalsContact O-N 3.09Å; K749-I752 PolarHBondContact O-N 2.64Å; K749-I753 WeakPolarHBondContact O-CD1 3.18Å; K749-I753 VanDerWaalsContact O-CG1 3.27Å; K749-I753 WeakPolarHBondContact O-CG1 3.17Å; K749-I753 PolarHBondContact O-N 3.26Å
750	D	94	Very high	87.4	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-78.9	-34.4	-173.7	-49.4	-79.2	0	0	0	109.2	R708 L711 H712 K747 W748 I753 G754	R708-D750 HydrophobicContact CG-CB 4.27Å; R708-D750 IonicContact NE-OD1 3.37Å; R708-D750 PolarHBondContact NE-OD1 2.94Å; R708-D750 IonicContact NE-OD2 3.48Å; L711-D750 HydrophobicContact CD1-CB 4.45Å; H712-D750 IonicContact CD2-OD1 2.69Å; H712-D750 IonicContact CE1-OD1 3.06Å; H712-D750 IonicContact NE2-OD1 2.78Å; H712-D750 PolarHBondContact NE2-OD1 2.82Å; K747-D750 WeakPolarHBondContact CB-OD2 3.27Å; K747-D750 PolarHBondContact N-OD2 3.28Å; K747-D750 PolarHBondContact O-N 3.35Å; W748-D750 VanDerWaalsContact C-N 3.28Å; W748-D750 PolarHBondContact O-N 2.87Å; D750-I753 PolarHBondContact O-N 3.01Å; D750-G754 PolarHBondContact O-N 3.25Å; D750-G754 VanDerWaalsContact O-N 3.11Å
751	L	94.5	Very high	87.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-43.7	166.6	-66.1	167.9	0	0	0	112.1	L711 L726 V746 K747 W748 L755 W775 F781	L711-L751 HydrophobicContact CD1-CD2 3.95Å; L711-L751 HydrophobicContact CD1-CG 4.48Å; L711-L751 HydrophobicContact CD2-CD2 4.49Å; L726-L751 HydrophobicContact CD1-CD2 3.57Å; L726-L751 HydrophobicContact CD2-CD2 3.84Å; L726-L751 HydrophobicContact CG-CD2 4.39Å; V746-L751 HydrophobicContact CG1-CD1 4.14Å; V746-L751 HydrophobicContact CG1-CD2 3.69Å; V746-L751 HydrophobicContact CG1-CG 3.57Å; K747-L751 PolarHBondContact O-N 3.14Å; W748-L751 PolarHBondContact O-N 3.01Å; L751-L755 HydrophobicContact CD2-CD1 3.86Å; L751-L755 VanDerWaalsContact O-CB 3.28Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 PolarHBondContact O-N 2.9Å; L751-W775 HydrophobicContact CD1-CH2 3.99Å; L751-W775 HydrophobicContact CD1-CZ3 3.95Å; L751-F781 HydrophobicContact CB-CB 4.21Å; L751-F781 HydrophobicContact CB-CD1 4.19Å; L751-F781 HydrophobicContact CB-CD2 3.95Å; L751-F781 HydrophobicContact CB-CE2 4.36Å; L751-F781 HydrophobicContact CB-CG 3.86Å; L751-F781 HydrophobicContact CD1-CD1 4.14Å; L751-F781 HydrophobicContact CD1-CE1 3.81Å; L751-F781 HydrophobicContact CD1-CE2 4.33Å; L751-F781 HydrophobicContact CD1-CZ 3.92Å; L751-F781 HydrophobicContact CD2-CD2 4.37Å; L751-F781 HydrophobicContact CD2-CE2 4.02Å; L751-F781 HydrophobicContact CD2-CZ 4.31Å; L751-F781 HydrophobicContact CG-CE2 4.47Å
752	I	92.5	Very high	88.3	Confident	59 Å²	59	41.6 Å²	41.6	30%	0.303	20%	0.199	S	C	.	.	H	α-helix	trans	-61.9	-45.5	176.4	-69	-73.6	0	0	0	111.1	W748 K749 S756 F781	W748-I752 HydrophobicContact CZ2-CD1 4.43Å; W748-I752 WeakPolarHBondContact O-CG1 3.27Å; W748-I752 PolarHBondContact O-N 2.83Å; K749-I752 PolarHBondContact O-N 2.64Å; I752-S756 WeakPolarHBondContact O-CB 3.4Å; I752-S756 PolarHBondContact O-N 3.17Å; I752-S756 PolarHBondContact O-OG 2.81Å; I752-F781 HydrophobicContact CD1-CB 3.76Å; I752-F781 HydrophobicContact CG1-CB 4.32Å
753	I	90.6	Very high	88.8	Confident	48 Å²	48	35 Å²	35	25%	0.246	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-47	179.8	-71.3	163.1	0	0	0	111.5	E715 K749 D750	E715-I753 HydrophobicContact CB-CG2 4.01Å; E715-I753 HydrophobicContact CG-CG2 4.12Å; K749-I753 WeakPolarHBondContact O-CD1 3.18Å; K749-I753 VanDerWaalsContact O-CG1 3.27Å; K749-I753 WeakPolarHBondContact O-CG1 3.17Å; K749-I753 PolarHBondContact O-N 3.26Å; D750-I753 PolarHBondContact O-N 3.01Å
754	G	90.9	Very high	89.7	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-82.7	-28.2	-175.4	0	0	0	0	0	116.1	L711 M714 D750	L711-G754 WeakPolarHBondContact O-CA 2.97Å; L711-G754 PolarHBondContact O-N 3.03Å; M714-G754 WeakPolarHBondContact CB-O 3.31Å; D750-G754 PolarHBondContact O-N 3.25Å; D750-G754 VanDerWaalsContact O-N 3.11Å
755	L	94.6	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-120.9	-19	-165.6	-55.4	173.6	0	0	0	114.8	L706 L711 M714 I724 L726 L751 K757 L758 F781 L782	L706-L755 HydrophobicContact CD1-CD2 4.31Å; L711-L755 HydrophobicContact CD2-CD1 3.95Å; L711-L755 HydrophobicContact CD2-CD2 4.17Å; L711-L755 HydrophobicContact CD2-CG 3.81Å; M714-L755 HydrophobicContact CE-CD2 3.59Å; M714-L755 HydrophobicContact SD-CD2 4.26Å; I724-L755 HydrophobicContact CD1-CD2 3.92Å; L726-L755 HydrophobicContact CD1-CD1 4.33Å; L751-L755 HydrophobicContact CD2-CD1 3.86Å; L751-L755 VanDerWaalsContact O-CB 3.28Å; L751-L755 WeakPolarHBondContact O-CB 3.47Å; L751-L755 PolarHBondContact O-N 2.9Å; L755-K757 PolarHBondContact O-N 3.27Å; L755-K757 VanDerWaalsContact O-N 3.16Å; L755-L758 HydrophobicContact CD2-CD2 4.39Å; L755-L758 VanDerWaalsContact O-CB 3.23Å; L755-L758 WeakPolarHBondContact O-CB 3.23Å; L755-L758 PolarHBondContact O-N 3.47Å; L755-F781 CarbonylContact C-O 3.46Å; L755-F781 VanDerWaalsContact C-O 3.23Å; L755-F781 HydrophobicContact CB-CD2 4.15Å; L755-F781 HydrophobicContact CD1-CD2 3.73Å; L755-F781 HydrophobicContact CD1-CE2 3.81Å; L755-L782 HydrophobicContact CB-CD2 4.03Å; L755-L782 HydrophobicContact CD1-CD2 4.19Å
756	S	90.3	Very high	90.8	Very high	28 Å²	28	34.2 Å²	34.2	20%	0.196	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.5	-174.8	64.9	0	0	0	0	114.8	I752 F781 N784	I752-S756 WeakPolarHBondContact O-CB 3.4Å; I752-S756 PolarHBondContact O-N 3.17Å; I752-S756 PolarHBondContact O-OG 2.81Å; S756-F781 WeakPolarHBondContact CA-O 3.5Å; S756-F781 PolarHBondContact N-O 3.1Å; S756-N784 PolarHBondContact O-ND2 2.72Å
757	K	87.3	Confident	90.9	Very high	72 Å²	72	34 Å²	34	31%	0.313	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.9	176.6	-67.5	-73.2	-171.3	-177	0	113.5	I687 C717 L755	I687-K757 HydrophobicContact CD1-CD 4.41Å; C717-K757 CarbonylContact O-C 3.59Å; C717-K757 WeakPolarHBondContact O-CB 3.44Å; L755-K757 PolarHBondContact O-N 3.27Å; L755-K757 VanDerWaalsContact O-N 3.16Å
758	L	90.8	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.			trans	-81.1	124.7	-168.5	-160	75.8	0	0	0	111.8	C717 F720 I724 L755 I761 N784 V785	C717-L758 HydrophobicContact CB-CD1 4.24Å; C717-L758 PolarHBondContact O-N 3.34Å; F720-L758 HydrophobicContact CB-CD1 3.91Å; F720-L758 HydrophobicContact CB-CD2 4.18Å; I724-L758 HydrophobicContact CD1-CD2 3.36Å; L755-L758 HydrophobicContact CD2-CD2 4.39Å; L755-L758 VanDerWaalsContact O-CB 3.23Å; L755-L758 WeakPolarHBondContact O-CB 3.23Å; L755-L758 PolarHBondContact O-N 3.47Å; L758-I761 HydrophobicContact CD2-CD1 4.18Å; L758-I761 HydrophobicContact CD2-CG1 3.69Å; L758-N784 CarbonylContact O-C 3.36Å; L758-V785 WeakPolarHBondContact O-CA 3.38Å; L758-V785 WeakPolarHBondContact O-CG2 3.4Å; L758-V785 PolarHBondContact O-N 3.15Å
759	E	89.6	Confident	91	Very high	67 Å²	67	26.7 Å²	26.7	31%	0.313	13%	0.128	S	C	.	.			trans	-105.2	-25.8	178.5	-55.6	-156.8	147.1	0	0	113.3	T718 N784 K786 I787	T718-E759 PolarHBondContact O-N 3.15Å; E759-N784 WeakPolarHBondContact CA-O 3.22Å; E759-K786 HydrophobicContact CB-CD 4.33Å; E759-K786 VanDerWaalsContact CD-CE 3.49Å; E759-K786 PolarHBondContact O-N 3.03Å; E759-K786 WeakPolarHBondContact OE1-CE 3.12Å; E759-K786 IonicContact OE1-NZ 2.66Å; E759-K786 PolarHBondContact OE1-NZ 3.17Å; E759-K786 WeakPolarHBondContact OE2-CE 3.21Å; E759-K786 IonicContact OE2-NZ 3.74Å; E759-K786 PolarHBondContact OE2-NZ 2.78Å; E759-I787 PolarHBondContact O-N 3.21Å
760	Y	88.9	Confident	90.9	Very high	63 Å²	63	21.9 Å²	21.9	25%	0.247	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.2	-169.9	-138.3	-78.7	0	0	0	111.8	T718 F720 I787 F850	T718-Y760 PolarHBondContact O-N 2.96Å; F720-Y760 PolarHBondContact N-O 3.1Å; Y760-I787 HydrophobicContact CD1-CB 4.49Å; Y760-I787 HydrophobicContact CD2-CB 4.05Å; Y760-I787 HydrophobicContact CD2-CG1 4.49Å; Y760-I787 HydrophobicContact CE1-CB 4.21Å; Y760-I787 HydrophobicContact CE1-CG2 4Å; Y760-I787 HydrophobicContact CE2-CB 3.75Å; Y760-I787 HydrophobicContact CE2-CD1 3.75Å; Y760-I787 HydrophobicContact CE2-CG1 4.01Å; Y760-I787 HydrophobicContact CE2-CG2 4.21Å; Y760-I787 HydrophobicContact CG-CB 4.43Å; Y760-F850 WeakPolarHBondContact OH-CE2 3.23Å
761	I	91.4	Very high	90.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.1	171.3	-58.2	170.7	0	0	0	107	I724 L758 L765 V785 I787 I788 G789	I724-I761 HydrophobicContact CB-CD1 4.41Å; I724-I761 HydrophobicContact CD1-CD1 3.81Å; I724-I761 HydrophobicContact CD1-CG1 3.9Å; I724-I761 HydrophobicContact CG1-CD1 4.25Å; I724-I761 HydrophobicContact CG1-CG1 4.41Å; I724-I761 HydrophobicContact CG1-CG2 4.31Å; L758-I761 HydrophobicContact CD2-CD1 4.18Å; L758-I761 HydrophobicContact CD2-CG1 3.69Å; I761-L765 HydrophobicContact CD1-CD1 4.37Å; I761-V785 HydrophobicContact CD1-CG1 4.19Å; I761-V785 HydrophobicContact CD1-CG2 4.42Å; I761-V785 HydrophobicContact CG1-CG1 4.46Å; I761-I787 PolarHBondContact N-O 3.09Å; I761-I788 HydrophobicContact CB-CG2 4.34Å; I761-I788 HydrophobicContact CD1-CG1 4.32Å; I761-I788 HydrophobicContact CG2-CG2 4.39Å; I761-I788 WeakPolarHBondContact O-CA 3.4Å; I761-G789 PolarHBondContact O-N 3.21Å
762	T	85.1	Confident	90.4	Very high	43 Å²	43	28.5 Å²	28.5	26%	0.264	15%	0.149	S	C	.	.	S	Bend	trans	-78.7	-38.6	178.9	63.7	0	0	0	0	112.6	F720 E721 G722 G789 G790 I791	F720-T762 PolarHBondContact O-N 3.39Å; F720-T762 VanDerWaalsContact O-N 3.12Å; E721-T762 WeakPolarHBondContact CA-OG1 3.43Å; E721-T762 HydrophobicContact CG-CG2 4.01Å; G722-T762 PolarHBondContact N-OG1 3.2Å; G722-T762 VanDerWaalsContact N-OG1 3.13Å; T762-G789 CarbonylContact O-C 3.56Å; T762-G789 VanDerWaalsContact O-CA 3.27Å; T762-G789 WeakPolarHBondContact O-CA 3.21Å; T762-G790 PolarHBondContact O-N 2.86Å; T762-I791 PolarHBondContact O-N 3.35Å; T762-I791 VanDerWaalsContact O-N 3.09Å
763	G	85.3	Confident	90.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-85.4	-145.8	175.3	0	0	0	0	0	113.7	G722 I788 G790 I791	G722-G763 VanDerWaalsContact O-CA 3.24Å; G722-G763 WeakPolarHBondContact O-CA 3.36Å; G722-G763 PolarHBondContact O-N 3.07Å; G763-I788 WeakPolarHBondContact O-CG2 3.38Å; G763-G790 WeakPolarHBondContact O-CA 3.22Å; G763-G790 PolarHBondContact O-N 3.05Å; G763-I791 WeakPolarHBondContact CA-O 3.4Å
764	T	87.5	Confident	90.3	Very high	2 Å²	2	27 Å²	27	1%	0.012	15%	0.146	C	C	.	.			trans	-98.3	164.6	-174.5	64.1	0	0	0	0	112.6	D723 I724 R799 T800	D723-T764 VanDerWaalsContact CG-OG1 3.31Å; D723-T764 WeakPolarHBondContact OD1-CB 3.21Å; D723-T764 PolarHBondContact OD1-N 3.43Å; D723-T764 PolarHBondContact OD1-OG1 2.96Å; I724-T764 PolarHBondContact N-O 2.88Å; T764-R799 WeakPolarHBondContact CB-O 3.48Å; T764-R799 VanDerWaalsContact CG2-O 3.23Å; T764-R799 WeakPolarHBondContact CG2-O 3.15Å; T764-T800 WeakPolarHBondContact CA-O 3.47Å
765	L	92.6	Very high	90.2	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115	173.6	178.1	65	0	0	0	110.6	I724 I761 I767 L782 I788 T800 V801 N802 M814	I724-L765 HydrophobicContact CB-CD1 4.04Å; I724-L765 HydrophobicContact CG2-CD1 3.76Å; I724-L765 WeakPolarHBondContact O-CA 3.33Å; I761-L765 HydrophobicContact CD1-CD1 4.37Å; L765-I767 HydrophobicContact CD1-CD1 4.17Å; L765-I767 HydrophobicContact CD1-CG1 4.19Å; L765-I767 HydrophobicContact CG-CD1 4.37Å; L765-I767 HydrophobicContact CG-CG1 4.41Å; L765-L782 HydrophobicContact CD1-CD1 3.99Å; L765-L782 HydrophobicContact CD2-CD1 3.8Å; L765-I788 HydrophobicContact CB-CD1 4.06Å; L765-I788 HydrophobicContact CB-CG2 4.36Å; L765-I788 HydrophobicContact CD2-CD1 3.73Å; L765-T800 PolarHBondContact N-O 3.03Å; L765-V801 CarbonylContact O-C 3.55Å; L765-V801 WeakPolarHBondContact O-CA 3.09Å; L765-N802 PolarHBondContact O-N 2.83Å; L765-M814 HydrophobicContact CD2-CE 3.82Å; L765-M814 HydrophobicContact CD2-SD 4.4Å
766	Y	92.8	Very high	90.2	Very high	47 Å²	47	31.3 Å²	31.3	18%	0.184	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	127.1	178.7	178.2	-75.2	0	0	0	110.6	I724 K725 L726 N802	I724-Y766 PolarHBondContact O-N 2.86Å; K725-Y766 HydrophobicContact CG-CD1 3.69Å; K725-Y766 HydrophobicContact CG-CE1 4.4Å; K725-Y766 HydrophobicContact CG-CG 4.07Å; L726-Y766 PolarHBondContact N-O 3.38Å; Y766-N802 CarbonylContact C-O 3.56Å; Y766-N802 WeakPolarHBondContact CA-O 3.34Å; Y766-N802 HydrophobicContact CD2-CB 4.1Å
767	I	95	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	112.9	178.1	-53.4	178.2	0	0	0	110.4	L726 L765 M776 L779 L782 N802 I803 N804 N806	L726-I767 HydrophobicContact CB-CG1 4.49Å; L726-I767 HydrophobicContact CD1-CG1 4.45Å; L726-I767 WeakPolarHBondContact O-CA 3.25Å; L765-I767 HydrophobicContact CD1-CD1 4.17Å; L765-I767 HydrophobicContact CD1-CG1 4.19Å; L765-I767 HydrophobicContact CG-CD1 4.37Å; L765-I767 HydrophobicContact CG-CG1 4.41Å; I767-M776 HydrophobicContact CG2-CE 3.94Å; I767-L779 HydrophobicContact CD1-CD1 3.75Å; I767-L779 HydrophobicContact CD1-CD2 4.07Å; I767-L779 HydrophobicContact CD1-CG 4.49Å; I767-L779 HydrophobicContact CG2-CD2 4.46Å; I767-L782 HydrophobicContact CD1-CD1 3.96Å; I767-N802 PolarHBondContact N-O 2.88Å; I767-I803 HydrophobicContact CB-CG1 4.38Å; I767-I803 HydrophobicContact CD1-CG1 4.46Å; I767-I803 WeakPolarHBondContact O-CA 3.39Å; I767-N804 PolarHBondContact O-N 2.83Å; I767-N806 PolarHBondContact O-ND2 2Å
768	S	93.6	Very high	90.7	Very high	11 Å²	11	29.8 Å²	29.8	8%	0.077	16%	0.158	C	C	.	.			trans	-144.8	96.9	176.9	-167	0	0	0	0	111.5	L726 S727 M728 N804	L726-S768 PolarHBondContact O-N 3.43Å; S727-S768 CarbonylContact C-O 3.43Å; S727-S768 WeakPolarHBondContact CA-O 3.18Å; M728-S768 PolarHBondContact N-O 3.04Å; S768-N804 WeakPolarHBondContact CA-O 3.39Å; S768-N804 VanDerWaalsContact CB-OD1 3.3Å; S768-N804 WeakPolarHBondContact CB-OD1 3.15Å; S768-N804 PolarHBondContact OG-O 2.92Å; S768-N804 PolarHBondContact OG-OD1 3.28Å
769	A	91.7	Very high	91	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	16%	0.158	C	C	.	.			trans	-100.8	-8.5	-175	0	0	0	0	0	114.9	F731 S771 H772 A773 M776 N806	F731-A769 HydrophobicContact CD2-CB 3.62Å; F731-A769 HydrophobicContact CE2-CB 3.4Å; F731-A769 HydrophobicContact CG-CB 4.3Å; F731-A769 HydrophobicContact CZ-CB 3.91Å; A769-S771 PolarHBondContact O-N 3.42Å; A769-H772 PolarHBondContact O-N 3.29Å; A769-A773 HydrophobicContact CB-CB 3.76Å; A769-M776 HydrophobicContact CB-CE 3.72Å; A769-N806 WeakPolarHBondContact CB-OD1 3.22Å; A769-N806 PolarHBondContact N-OD1 3.46Å
770	G	89.1	Confident	91.1	Very high	15 Å²	15	28.2 Å²	28.2	16%	0.155	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-133.3	-174.3	0	0	0	0	0	112.4	L805 H807	G770-L805 CarbonylContact C-O 3.48Å; G770-L805 WeakPolarHBondContact CA-O 3.22Å; G770-L805 PolarHBondContact N-O 3.31Å; G770-H807 PolarHBondContact O-N 2.93Å; G770-H807 VanDerWaalsContact O-N 3.12Å
771	S	89.9	Confident	91.3	Very high	62 Å²	62	25.2 Å²	25.2	43%	0.434	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	3.4	168.1	38.8	0	0	0	0	114.4	A769	A769-S771 PolarHBondContact O-N 3.42Å
772	H	88.6	Confident	91.4	Very high	78 Å²	78	25.3 Å²	25.3	36%	0.361	14%	0.141	S	C	.	.	S	Bend	trans	-85.9	-13.9	-168.7	-59.7	-80.3	0	0	0	114.4	F731 I732 A769 P774	F731-H772 HydrophobicContact CB-CB 4.19Å; I732-H772 HydrophobicContact CG2-CB 3.68Å; I732-H772 WeakPolarHBondContact CG2-ND1 3.03Å; A769-H772 PolarHBondContact O-N 3.29Å; H772-P774 WeakPolarHBondContact O-CD 2.95Å
773	A	90.1	Very high	91.6	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.033	14%	0.136	C	C	.	.			trans	-113	65.9	172.5	0	0	0	0	0	112.2	F731 A769 W775 M776	F731-A773 HydrophobicContact CD1-CB 3.87Å; F731-A773 HydrophobicContact CE1-CB 4.06Å; F731-A773 HydrophobicContact CG-CB 4.25Å; A769-A773 HydrophobicContact CB-CB 3.76Å; A773-W775 HydrophobicContact CB-CH2 4.18Å; A773-W775 HydrophobicContact CB-CZ2 3.84Å; A773-W775 PolarHBondContact O-N 3.04Å; A773-M776 HydrophobicContact CB-CB 3.84Å; A773-M776 WeakPolarHBondContact O-CB 3.27Å; A773-M776 PolarHBondContact O-N 3.41Å
774	P	90.1	Very high	91.7	Very high	70 Å²	70	25 Å²	25	46%	0.455	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	-175.1	28.6	-36.9	0	0	0	114.5	H772	H772-P774 WeakPolarHBondContact O-CD 2.95Å
775	W	90.8	Very high	91.9	Very high	89 Å²	89	25 Å²	25	34%	0.337	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-11.9	174.4	46.4	-97.5	0	0	0	113.4	F731 V746 W748 L751 A773 T777	F731-W775 HydrophobicContact CD1-CH2 4.12Å; F731-W775 HydrophobicContact CD1-CZ2 4.04Å; F731-W775 AromaticContact CE1-CH2 3.91Å; F731-W775 HydrophobicContact CE1-CH2 3.91Å; F731-W775 HydrophobicContact CE1-CZ2 4.29Å; V746-W775 VanDerWaalsContact O-CZ2 3.31Å; V746-W775 WeakPolarHBondContact O-CZ2 3.32Å; W748-W775 HydrophobicContact CB-CE3 3.76Å; W748-W775 HydrophobicContact CB-CZ3 3.88Å; W748-W775 AromaticContact CE3-CE3 3.91Å; W748-W775 HydrophobicContact CE3-CE3 3.91Å; W748-W775 AromaticContact CE3-CZ3 3.91Å; W748-W775 HydrophobicContact CE3-CZ3 3.91Å; W748-W775 VanDerWaalsContact N-CZ3 3.33Å; L751-W775 HydrophobicContact CD1-CH2 3.99Å; L751-W775 HydrophobicContact CD1-CZ3 3.95Å; A773-W775 HydrophobicContact CB-CH2 4.18Å; A773-W775 HydrophobicContact CB-CZ2 3.84Å; A773-W775 PolarHBondContact O-N 3.04Å; W775-T777 VanDerWaalsContact C-N 3.32Å; W775-T777 PolarHBondContact O-N 2.69Å
776	M	93.3	Very high	91.8	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	15%	0.152	C	C	.	.			trans	-85.6	71.6	-178.6	-166.9	175.6	74.2	0	0	110.6	F731 W748 I767 A769 A773 N778 L779 F781 N806	F731-M776 HydrophobicContact CE1-SD 4.44Å; F731-M776 HydrophobicContact CZ-CE 4.49Å; F731-M776 HydrophobicContact CZ-SD 4.23Å; W748-M776 HydrophobicContact CZ3-CG 4.26Å; I767-M776 HydrophobicContact CG2-CE 3.94Å; A769-M776 HydrophobicContact CB-CE 3.72Å; A773-M776 HydrophobicContact CB-CB 3.84Å; A773-M776 WeakPolarHBondContact O-CB 3.27Å; A773-M776 PolarHBondContact O-N 3.41Å; M776-N778 VanDerWaalsContact C-N 3.3Å; M776-L779 HydrophobicContact CE-CD2 4.3Å; M776-L779 HydrophobicContact CG-CD2 4.38Å; M776-L779 HydrophobicContact SD-CD2 4.12Å; M776-F781 HydrophobicContact CG-CE1 4.41Å; M776-F781 HydrophobicContact SD-CE1 4.2Å; M776-F781 HydrophobicContact SD-CZ 4.34Å; M776-N806 WeakPolarHBondContact CE-OD1 3.18Å
777	T	94.5	Very high	91.5	Very high	50 Å²	50	27 Å²	27	31%	0.307	15%	0.15	S	C	.	.			trans	-78.9	-11.7	179.5	61.7	0	0	0	0	113.7	W775 H808 E810 F811	W775-T777 VanDerWaalsContact C-N 3.32Å; W775-T777 PolarHBondContact O-N 2.69Å; T777-H808 WeakPolarHBondContact CA-O 3.47Å; T777-E810 PolarHBondContact O-N 2.68Å; T777-F811 PolarHBondContact O-N 3.03Å
778	N	95	Very high	91.3	Very high	18 Å²	18	27 Å²	27	10%	0.096	15%	0.15	C	C	.	.			trans	-157.4	174.9	177.9	64.4	92.6	0	0	0	111.7	W748 M776 T780 F811	W748-N778 WeakPolarHBondContact CH2-O 3.1Å; W748-N778 WeakPolarHBondContact CH2-OD1 3.21Å; W748-N778 WeakPolarHBondContact CZ3-O 3.43Å; M776-N778 VanDerWaalsContact C-N 3.3Å; N778-T780 VanDerWaalsContact OD1-CB 3.31Å; N778-T780 WeakPolarHBondContact OD1-CB 3.13Å; N778-T780 WeakPolarHBondContact OD1-CG2 3.35Å; N778-T780 PolarHBondContact OD1-N 3.44Å; N778-T780 VanDerWaalsContact OD1-N 3.13Å; N778-T780 PolarHBondContact OD1-OG1 3.15Å; N778-F811 WeakPolarHBondContact CA-O 3.28Å; N778-F811 HydrophobicContact CB-CD1 3.88Å; N778-F811 HydrophobicContact CB-CD2 3.74Å; N778-F811 HydrophobicContact CB-CE1 3.65Å; N778-F811 HydrophobicContact CB-CE2 3.5Å; N778-F811 HydrophobicContact CB-CG 3.93Å; N778-F811 HydrophobicContact CB-CZ 3.46Å; N778-F811 VanDerWaalsContact CB-CZ 3.46Å; N778-F811 WeakPolarHBondContact CB-O 3.48Å
779	L	95.4	Very high	90.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.149	C	C	.	.			trans	-114.5	31.2	179	-46.4	176	0	0	0	112.8	I767 M776 F781 L782 I803 L809 L812	I767-L779 HydrophobicContact CD1-CD1 3.75Å; I767-L779 HydrophobicContact CD1-CD2 4.07Å; I767-L779 HydrophobicContact CD1-CG 4.49Å; I767-L779 HydrophobicContact CG2-CD2 4.46Å; M776-L779 HydrophobicContact CE-CD2 4.3Å; M776-L779 HydrophobicContact CG-CD2 4.38Å; M776-L779 HydrophobicContact SD-CD2 4.12Å; L779-F781 HydrophobicContact CB-CE1 4.23Å; L779-F781 HydrophobicContact CB-CZ 4.36Å; L779-F781 HydrophobicContact CD2-CE1 3.89Å; L779-F781 HydrophobicContact CD2-CZ 3.84Å; L779-F781 PolarHBondContact O-N 2.88Å; L779-L782 PolarHBondContact O-N 3.21Å; L779-I803 HydrophobicContact CD1-CD1 3.81Å; L779-I803 HydrophobicContact CD1-CG1 4.47Å; L779-I803 HydrophobicContact CD1-CG2 4.34Å; L779-L809 HydrophobicContact CD1-CD2 4.47Å; L779-L809 HydrophobicContact CD2-CD1 3.72Å; L779-L809 HydrophobicContact CD2-CD2 4.47Å; L779-L809 HydrophobicContact CG-CD1 3.93Å; L779-L809 HydrophobicContact CG-CD2 4.4Å; L779-L812 CarbonylContact C-O 3.55Å; L779-L812 VanDerWaalsContact C-O 3.29Å; L779-L812 VanDerWaalsContact CA-O 3.23Å; L779-L812 WeakPolarHBondContact CA-O 3.15Å; L779-L812 VanDerWaalsContact CB-O 3.25Å; L779-L812 WeakPolarHBondContact CB-O 3.3Å; L779-L812 HydrophobicContact CD1-CD2 3.95Å; L779-L812 PolarHBondContact N-O 3.31Å
780	T	92.4	Very high	89.8	Confident	35 Å²	35	27.3 Å²	27.3	22%	0.215	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.9	-11.3	-179	52.5	0	0	0	0	114.7	N778 L782 S783 F811 F934	N778-T780 VanDerWaalsContact OD1-CB 3.31Å; N778-T780 WeakPolarHBondContact OD1-CB 3.13Å; N778-T780 WeakPolarHBondContact OD1-CG2 3.35Å; N778-T780 PolarHBondContact OD1-N 3.44Å; N778-T780 VanDerWaalsContact OD1-N 3.13Å; N778-T780 PolarHBondContact OD1-OG1 3.15Å; T780-L782 PolarHBondContact O-N 3.29Å; T780-S783 WeakPolarHBondContact O-CB 3.06Å; T780-S783 PolarHBondContact O-N 3.46Å; T780-S783 PolarHBondContact O-OG 2.84Å; T780-F811 HydrophobicContact CG2-CE2 4Å; T780-F934 HydrophobicContact CG2-CE1 3.67Å; T780-F934 HydrophobicContact CG2-CZ 4.03Å
781	F	92.6	Very high	88.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-65.7	-10.5	165.9	62.3	-94.3	0	0	0	113.7	L726 W748 L751 I752 L755 S756 M776 L779	L726-F781 HydrophobicContact CD1-CE2 4.11Å; L726-F781 HydrophobicContact CD1-CZ 4.32Å; W748-F781 HydrophobicContact CE3-CD1 4.42Å; W748-F781 AromaticContact CH2-CD1 3.8Å; W748-F781 HydrophobicContact CH2-CD1 3.8Å; W748-F781 HydrophobicContact CH2-CE1 4.42Å; W748-F781 HydrophobicContact CZ2-CD1 4.41Å; W748-F781 AromaticContact CZ3-CD1 3.81Å; W748-F781 HydrophobicContact CZ3-CD1 3.81Å; W748-F781 HydrophobicContact CZ3-CE1 4.09Å; L751-F781 HydrophobicContact CB-CB 4.21Å; L751-F781 HydrophobicContact CB-CD1 4.19Å; L751-F781 HydrophobicContact CB-CD2 3.95Å; L751-F781 HydrophobicContact CB-CE2 4.36Å; L751-F781 HydrophobicContact CB-CG 3.86Å; L751-F781 HydrophobicContact CD1-CD1 4.14Å; L751-F781 HydrophobicContact CD1-CE1 3.81Å; L751-F781 HydrophobicContact CD1-CE2 4.33Å; L751-F781 HydrophobicContact CD1-CZ 3.92Å; L751-F781 HydrophobicContact CD2-CD2 4.37Å; L751-F781 HydrophobicContact CD2-CE2 4.02Å; L751-F781 HydrophobicContact CD2-CZ 4.31Å; L751-F781 HydrophobicContact CG-CE2 4.47Å; I752-F781 HydrophobicContact CD1-CB 3.76Å; I752-F781 HydrophobicContact CG1-CB 4.32Å; L755-F781 CarbonylContact C-O 3.46Å; L755-F781 VanDerWaalsContact C-O 3.23Å; L755-F781 HydrophobicContact CB-CD2 4.15Å; L755-F781 HydrophobicContact CD1-CD2 3.73Å; L755-F781 HydrophobicContact CD1-CE2 3.81Å; S756-F781 WeakPolarHBondContact CA-O 3.5Å; S756-F781 PolarHBondContact N-O 3.1Å; M776-F781 HydrophobicContact CG-CE1 4.41Å; M776-F781 HydrophobicContact SD-CE1 4.2Å; M776-F781 HydrophobicContact SD-CZ 4.34Å; L779-F781 HydrophobicContact CB-CE1 4.23Å; L779-F781 HydrophobicContact CB-CZ 4.36Å; L779-F781 HydrophobicContact CD2-CE1 3.89Å; L779-F781 HydrophobicContact CD2-CZ 3.84Å; L779-F781 PolarHBondContact O-N 2.88Å
782	L	93.7	Very high	87.6	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-109	15.8	169.9	-59.9	175.2	0	0	0	112.7	L755 L765 I767 L779 T780 N784 V785 M814	L755-L782 HydrophobicContact CB-CD2 4.03Å; L755-L782 HydrophobicContact CD1-CD2 4.19Å; L765-L782 HydrophobicContact CD1-CD1 3.99Å; L765-L782 HydrophobicContact CD2-CD1 3.8Å; I767-L782 HydrophobicContact CD1-CD1 3.96Å; L779-L782 PolarHBondContact O-N 3.21Å; T780-L782 PolarHBondContact O-N 3.29Å; L782-N784 PolarHBondContact O-N 3.12Å; L782-N784 VanDerWaalsContact O-N 3.13Å; L782-V785 HydrophobicContact CB-CG2 4.05Å; L782-V785 HydrophobicContact CD2-CG2 3.97Å; L782-V785 PolarHBondContact O-N 3.24Å; L782-V785 VanDerWaalsContact O-N 3.09Å; L782-M814 HydrophobicContact CB-CE 4.18Å; L782-M814 HydrophobicContact CB-CG 4.17Å; L782-M814 HydrophobicContact CD1-CE 4.27Å; L782-M814 HydrophobicContact CD1-SD 4.48Å
783	S	89.9	Confident	86	Confident	20 Å²	20	30.6 Å²	30.6	14%	0.14	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.3	-176.2	50	0	0	0	0	114.2	T780 T815 S816	T780-S783 WeakPolarHBondContact O-CB 3.06Å; T780-S783 PolarHBondContact O-N 3.46Å; T780-S783 PolarHBondContact O-OG 2.84Å; S783-T815 PolarHBondContact O-OG1 2.63Å; S783-T815 VanDerWaalsContact O-OG1 3.05Å; S783-S816 WeakPolarHBondContact O-CB 3.27Å; S783-S816 PolarHBondContact O-N 3.18Å; S783-S816 PolarHBondContact O-OG 3.02Å
784	N	88	Confident	84.2	Confident	18 Å²	18	34.6 Å²	34.6	10%	0.096	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.7	177.7	-76.9	-48	0	0	0	115.5	S756 L758 E759 L782 K786 N948 G949	S756-N784 PolarHBondContact O-ND2 2.72Å; L758-N784 CarbonylContact O-C 3.36Å; E759-N784 WeakPolarHBondContact CA-O 3.22Å; L782-N784 PolarHBondContact O-N 3.12Å; L782-N784 VanDerWaalsContact O-N 3.13Å; N784-K786 PolarHBondContact O-N 3Å; N784-K786 VanDerWaalsContact O-N 3.17Å; N784-N948 PolarHBondContact ND2-O 3.46Å; N784-N948 PolarHBondContact OD1-O 2.86Å; N784-G949 WeakPolarHBondContact OD1-CA 3.14Å
785	V	91.6	Very high	82.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.			trans	-67.2	116.9	-179.7	178.5	0	0	0	0	109.9	L758 I761 L782 I788 S816 L817	L758-V785 WeakPolarHBondContact O-CA 3.38Å; L758-V785 WeakPolarHBondContact O-CG2 3.4Å; L758-V785 PolarHBondContact O-N 3.15Å; I761-V785 HydrophobicContact CD1-CG1 4.19Å; I761-V785 HydrophobicContact CD1-CG2 4.42Å; I761-V785 HydrophobicContact CG1-CG1 4.46Å; L782-V785 HydrophobicContact CB-CG2 4.05Å; L782-V785 HydrophobicContact CD2-CG2 3.97Å; L782-V785 PolarHBondContact O-N 3.24Å; L782-V785 VanDerWaalsContact O-N 3.09Å; V785-I788 HydrophobicContact CG1-CD1 4.24Å; V785-I788 HydrophobicContact CG1-CG1 3.77Å; V785-S816 CarbonylContact O-C 3.51Å; V785-L817 HydrophobicContact CG1-CD1 4.42Å; V785-L817 WeakPolarHBondContact O-CA 3.24Å; V785-L817 PolarHBondContact O-N 3Å; V785-L817 VanDerWaalsContact O-N 3.13Å
786	K	88.7	Confident	80.4	Confident	62 Å²	62	43.8 Å²	43.8	27%	0.27	24%	0.239	S	C	.	.			trans	-92.8	-42.1	-179.1	-63.3	169.3	-167.8	170.3	0	111.8	E759 N784 S816 Q818 K819	E759-K786 HydrophobicContact CB-CD 4.33Å; E759-K786 VanDerWaalsContact CD-CE 3.49Å; E759-K786 PolarHBondContact O-N 3.03Å; E759-K786 WeakPolarHBondContact OE1-CE 3.12Å; E759-K786 IonicContact OE1-NZ 2.66Å; E759-K786 PolarHBondContact OE1-NZ 3.17Å; E759-K786 WeakPolarHBondContact OE2-CE 3.21Å; E759-K786 IonicContact OE2-NZ 3.74Å; E759-K786 PolarHBondContact OE2-NZ 2.78Å; N784-K786 PolarHBondContact O-N 3Å; N784-K786 VanDerWaalsContact O-N 3.17Å; K786-S816 WeakPolarHBondContact CA-O 3.34Å; K786-Q818 PolarHBondContact O-N 3.45Å; K786-K819 PolarHBondContact O-N 3.31Å
787	I	87.5	Confident	78.4	Confident	28 Å²	28	45.9 Å²	45.9	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.3	-174.9	-56.4	-167.4	0	0	0	111.2	E759 Y760 I761 K819 F850	E759-I787 PolarHBondContact O-N 3.21Å; Y760-I787 HydrophobicContact CD1-CB 4.49Å; Y760-I787 HydrophobicContact CD2-CB 4.05Å; Y760-I787 HydrophobicContact CD2-CG1 4.49Å; Y760-I787 HydrophobicContact CE1-CB 4.21Å; Y760-I787 HydrophobicContact CE1-CG2 4Å; Y760-I787 HydrophobicContact CE2-CB 3.75Å; Y760-I787 HydrophobicContact CE2-CD1 3.75Å; Y760-I787 HydrophobicContact CE2-CG1 4.01Å; Y760-I787 HydrophobicContact CE2-CG2 4.21Å; Y760-I787 HydrophobicContact CG-CB 4.43Å; I761-I787 PolarHBondContact N-O 3.09Å; I787-K819 WeakPolarHBondContact CA-O 3.28Å; I787-K819 HydrophobicContact CD1-CB 4.12Å; I787-K819 HydrophobicContact CD1-CD 4.5Å; I787-K819 HydrophobicContact CG1-CB 4.02Å; I787-K819 HydrophobicContact CG2-CB 4.36Å; I787-F850 HydrophobicContact CG2-CE2 4.35Å; I787-F850 HydrophobicContact CG2-CZ 3.88Å
788	I	90.4	Very high	76.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.3	170.5	-51.4	175.9	0	0	0	107.6	I761 G763 L765 V785 T800 V801 M814 L817 K819 L820 G821	I761-I788 HydrophobicContact CB-CG2 4.34Å; I761-I788 HydrophobicContact CD1-CG1 4.32Å; I761-I788 HydrophobicContact CG2-CG2 4.39Å; I761-I788 WeakPolarHBondContact O-CA 3.4Å; G763-I788 WeakPolarHBondContact O-CG2 3.38Å; L765-I788 HydrophobicContact CB-CD1 4.06Å; L765-I788 HydrophobicContact CB-CG2 4.36Å; L765-I788 HydrophobicContact CD2-CD1 3.73Å; V785-I788 HydrophobicContact CG1-CD1 4.24Å; V785-I788 HydrophobicContact CG1-CG1 3.77Å; I788-T800 HydrophobicContact CB-CG2 4.11Å; I788-T800 HydrophobicContact CG2-CG2 3.69Å; I788-T800 WeakPolarHBondContact O-CG2 3.34Å; I788-V801 HydrophobicContact CD1-CG2 3.92Å; I788-M814 HydrophobicContact CD1-CE 4.07Å; I788-L817 HydrophobicContact CD1-CD1 4.06Å; I788-L817 HydrophobicContact CG1-CD1 4.03Å; I788-K819 PolarHBondContact N-O 2.85Å; I788-L820 HydrophobicContact CB-CD2 3.9Å; I788-L820 HydrophobicContact CD1-CD2 4.08Å; I788-L820 HydrophobicContact CG1-CD2 4.24Å; I788-G821 PolarHBondContact O-N 2.99Å
789	G	79.9	Confident	75.7	Confident	4 Å²	4	50.6 Å²	50.6	4%	0.041	27%	0.272	C	S	.	.			trans	-71.5	-32.3	-170	0	0	0	0	0	114.4	I761 T762 I791 G821	I761-G789 PolarHBondContact O-N 3.21Å; T762-G789 CarbonylContact O-C 3.56Å; T762-G789 VanDerWaalsContact O-CA 3.27Å; T762-G789 WeakPolarHBondContact O-CA 3.21Å; G789-I791 VanDerWaalsContact C-N 3.29Å; G789-I791 PolarHBondContact O-N 2.91Å; G789-G821 CarbonylContact O-C 3.55Å; G789-G821 VanDerWaalsContact O-CA 3.29Å; G789-G821 WeakPolarHBondContact O-CA 3.2Å
790	G	74.8	Confident	75.1	Confident	17 Å²	17	50.8 Å²	50.8	18%	0.175	27%	0.273	C	S	.	.			trans	75.6	10.4	-179.7	0	0	0	0	0	115.1	T762 G763 S792	T762-G790 PolarHBondContact O-N 2.86Å; G763-G790 WeakPolarHBondContact O-CA 3.22Å; G763-G790 PolarHBondContact O-N 3.05Å; G790-S792 PolarHBondContact O-N 3.4Å
791	I	69.2	Low	75	Confident	100 Å²	100	49.3 Å²	49.3	51%	0.513	26%	0.264	S	S	.	.			trans	-91	80.5	179.9	-52.8	179	0	0	0	108.8	T762 G763 G789	T762-I791 PolarHBondContact O-N 3.35Å; T762-I791 VanDerWaalsContact O-N 3.09Å; G763-I791 WeakPolarHBondContact CA-O 3.4Å; G789-I791 VanDerWaalsContact C-N 3.29Å; G789-I791 PolarHBondContact O-N 2.91Å
792	S	64.2	Low	74.9	Confident	25 Å²	25	50.3 Å²	50.3	18%	0.175	27%	0.269	C	S	.	.			trans	-75.8	135.2	174	-179.6	0	0	0	0	111	D723 G790 N794	D723-S792 VanDerWaalsContact CG-OG 3.31Å; D723-S792 VanDerWaalsContact OD1-CB 3.23Å; D723-S792 WeakPolarHBondContact OD1-CB 3.49Å; D723-S792 PolarHBondContact OD1-OG 3.06Å; D723-S792 WeakPolarHBondContact OD2-CB 3.44Å; D723-S792 PolarHBondContact OD2-OG 3.12Å; G790-S792 PolarHBondContact O-N 3.4Å; S792-N794 PolarHBondContact O-N 2.73Å; S792-N794 PolarHBondContact OG-N 2.8Å; S792-N794 PolarHBondContact OG-O 3.16Å
793	P	53.7	Low	74.9	Confident	99 Å²	99	50.3 Å²	50.3	64%	0.643	27%	0.269	S	S	*	.	S	Bend	trans	-70.1	-18.1	165.1	30.2	-34.6	0	0	0	112.6	I795	P793-I795 PolarHBondContact O-N 2.86Å
794	N	53.1	Low	75.1	Confident	88 Å²	88	50.3 Å²	50.3	47%	0.471	27%	0.268	S	S	.	.	S	Bend	trans	-94	94.6	179.1	-81.6	-42.5	0	0	0	111.2	S792 Q796 Q797	S792-N794 PolarHBondContact O-N 2.73Å; S792-N794 PolarHBondContact OG-N 2.8Å; S792-N794 PolarHBondContact OG-O 3.16Å; N794-Q796 PolarHBondContact O-N 3.02Å; N794-Q797 PolarHBondContact O-N 3.5Å; N794-Q797 VanDerWaalsContact O-N 3.09Å
795	I	52	Low	75.3	Confident	160 Å²	160	53.8 Å²	53.8	82%	0.821	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-19.7	-175	-61.2	171.7	0	0	0	114.8	P793	P793-I795 PolarHBondContact O-N 2.86Å
796	Q	49.2	Very low	75.5	Confident	191 Å²	191	53.9 Å²	53.9	89%	0.893	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-18.9	179.8	-62.5	-171.1	2.1	0	0	115.1	N794	N794-Q796 PolarHBondContact O-N 3.02Å
797	Q	51.4	Low	75.7	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.22	29%	0.291	C	S	.	.			trans	-104.5	89.4	-178.4	-66.6	-158	65.6	0	0	112.8	N794 R799	N794-Q797 PolarHBondContact O-N 3.5Å; N794-Q797 VanDerWaalsContact O-N 3.09Å; Q797-R799 VanDerWaalsContact C-N 3.28Å; Q797-R799 PolarHBondContact O-N 2.87Å
798	T	56.8	Low	76.1	Confident	107 Å²	107	55.5 Å²	55.5	66%	0.656	29%	0.294	S	S	*	.			trans	-84.2	20.8	-175.1	57.8	0	0	0	0	115.2	S824	T798-S824 VanDerWaalsContact O-CB 3.27Å; T798-S824 WeakPolarHBondContact O-CB 3.38Å; T798-S824 PolarHBondContact O-OG 3.23Å
799	R	74.2	Confident	76.4	Confident	61 Å²	61	55.5 Å²	55.5	23%	0.23	29%	0.294	C	S	.	.			trans	-129.5	124.6	-177	-56.8	-148.6	172.7	-117.4	-8.4	112.2	T764 Q797 V801 S824 L825 L826 T898	T764-R799 WeakPolarHBondContact CB-O 3.48Å; T764-R799 VanDerWaalsContact CG2-O 3.23Å; T764-R799 WeakPolarHBondContact CG2-O 3.15Å; Q797-R799 VanDerWaalsContact C-N 3.28Å; Q797-R799 PolarHBondContact O-N 2.87Å; R799-V801 VanDerWaalsContact C-N 3.33Å; R799-V801 PolarHBondContact O-N 3.34Å; R799-S824 CarbonylContact C-O 3.57Å; R799-S824 WeakPolarHBondContact CA-OG 3.48Å; R799-S824 WeakPolarHBondContact CG-OG 3.07Å; R799-L825 PolarHBondContact NH1-O 3.08Å; R799-L826 VanDerWaalsContact CD-CB 3.47Å; R799-T898 PolarHBondContact NH1-O 2.94Å
800	T	83.3	Confident	77.1	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	31%	0.306	C	S	.	.	S	Bend	trans	-63.5	-38.1	177.9	-54.7	0	0	0	0	112.3	T764 L765 I788 L820 H822 S824	T764-T800 WeakPolarHBondContact CA-O 3.47Å; L765-T800 PolarHBondContact N-O 3.03Å; I788-T800 HydrophobicContact CB-CG2 4.11Å; I788-T800 HydrophobicContact CG2-CG2 3.69Å; I788-T800 WeakPolarHBondContact O-CG2 3.34Å; T800-L820 HydrophobicContact CG2-CB 4.38Å; T800-L820 HydrophobicContact CG2-CD2 4.17Å; T800-H822 WeakPolarHBondContact OG1-CB 3.14Å; T800-H822 PolarHBondContact OG1-O 3.02Å; T800-S824 PolarHBondContact N-O 3.14Å
801	V	90.7	Very high	78.1	Confident	4 Å²	4	58.8 Å²	58.8	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.7	176.1	-176.3	0	0	0	0	109.5	L765 I788 R799 I803 L820 L825 L826	L765-V801 CarbonylContact O-C 3.55Å; L765-V801 WeakPolarHBondContact O-CA 3.09Å; I788-V801 HydrophobicContact CD1-CG2 3.92Å; R799-V801 VanDerWaalsContact C-N 3.33Å; R799-V801 PolarHBondContact O-N 3.34Å; V801-I803 HydrophobicContact CG1-CD1 3.72Å; V801-I803 HydrophobicContact CG1-CG1 3.88Å; V801-L820 HydrophobicContact CG2-CD1 4.34Å; V801-L820 HydrophobicContact CG2-CD2 3.69Å; V801-L825 HydrophobicContact CB-CD1 3.89Å; V801-L825 HydrophobicContact CB-CG 4.3Å; V801-L825 HydrophobicContact CG1-CD1 4.38Å; V801-L825 HydrophobicContact CG2-CD1 4.21Å; V801-L825 WeakPolarHBondContact O-CA 3.37Å; V801-L826 PolarHBondContact O-N 3.27Å
802	N	91.2	Very high	79.3	Confident	22 Å²	22	54.1 Å²	54.1	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	97.9	178.2	-171.1	2.8	0	0	0	110.2	L765 Y766 I767 N804 L826	L765-N802 PolarHBondContact O-N 2.83Å; Y766-N802 CarbonylContact C-O 3.56Å; Y766-N802 WeakPolarHBondContact CA-O 3.34Å; Y766-N802 HydrophobicContact CD2-CB 4.1Å; I767-N802 PolarHBondContact N-O 2.88Å; N802-N804 PolarHBondContact OD1-ND2 3.02Å; N802-L826 CarbonylContact C-O 3.57Å; N802-L826 WeakPolarHBondContact CA-O 3.49Å; N802-L826 WeakPolarHBondContact OD1-CD2 3.04Å
803	I	94.2	Very high	80.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	97	-177.8	-60	167.8	0	0	0	107.9	I767 L779 V801 L809 L812 L826 I827 T828 N830	I767-I803 HydrophobicContact CB-CG1 4.38Å; I767-I803 HydrophobicContact CD1-CG1 4.46Å; I767-I803 WeakPolarHBondContact O-CA 3.39Å; L779-I803 HydrophobicContact CD1-CD1 3.81Å; L779-I803 HydrophobicContact CD1-CG1 4.47Å; L779-I803 HydrophobicContact CD1-CG2 4.34Å; V801-I803 HydrophobicContact CG1-CD1 3.72Å; V801-I803 HydrophobicContact CG1-CG1 3.88Å; I803-L809 HydrophobicContact CG2-CD2 3.89Å; I803-L812 HydrophobicContact CD1-CD2 4.05Å; I803-L826 PolarHBondContact N-O 2.77Å; I803-I827 HydrophobicContact CB-CG1 4.45Å; I803-I827 WeakPolarHBondContact O-CA 3.26Å; I803-T828 PolarHBondContact O-N 3.06Å; I803-N830 PolarHBondContact O-ND2 2.92Å
804	N	93.1	Very high	82.4	Confident	20 Å²	20	48.4 Å²	48.4	11%	0.107	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.9	-171.1	72.5	52.8	0	0	0	114.8	I767 S768 N802 N806 T828	I767-N804 PolarHBondContact O-N 2.83Å; S768-N804 WeakPolarHBondContact CA-O 3.39Å; S768-N804 VanDerWaalsContact CB-OD1 3.3Å; S768-N804 WeakPolarHBondContact CB-OD1 3.15Å; S768-N804 PolarHBondContact OG-O 2.92Å; S768-N804 PolarHBondContact OG-OD1 3.28Å; N802-N804 PolarHBondContact OD1-ND2 3.02Å; N804-N806 PolarHBondContact N-ND2 3.36Å; N804-N806 PolarHBondContact O-N 3.32Å; N804-N806 VanDerWaalsContact O-N 3.08Å; N804-N806 PolarHBondContact O-ND2 3.32Å; N804-T828 CarbonylContact C-O 3.52Å; N804-T828 WeakPolarHBondContact CA-O 2.85Å; N804-T828 HydrophobicContact CB-CG2 3.98Å; N804-T828 WeakPolarHBondContact CB-O 3.24Å
805	L	93	Very high	84	Confident	91 Å²	91	45.4 Å²	45.4	48%	0.476	23%	0.226	S	C	.	.			trans	59.1	18.1	173.4	-56.8	174.1	0	0	0	115.5	G770 H807 T828 G829	G770-L805 CarbonylContact C-O 3.48Å; G770-L805 WeakPolarHBondContact CA-O 3.22Å; G770-L805 PolarHBondContact N-O 3.31Å; L805-H807 PolarHBondContact O-CD2 3.49Å; L805-H807 PolarHBondContact O-N 2.81Å; L805-H807 VanDerWaalsContact O-N 3.12Å; L805-T828 PolarHBondContact N-O 3.39Å; L805-G829 CarbonylContact C-O 3.49Å; L805-G829 VanDerWaalsContact CA-O 3.27Å; L805-G829 WeakPolarHBondContact CA-O 3.22Å
806	N	95.6	Very high	85.7	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.011	19%	0.193	C	C	.	.			trans	-84	91.8	-178.5	-55.4	-76.5	0	0	0	110.4	I767 A769 M776 N804 H808 L809 N830	I767-N806 PolarHBondContact O-ND2 2Å; A769-N806 WeakPolarHBondContact CB-OD1 3.22Å; A769-N806 PolarHBondContact N-OD1 3.46Å; M776-N806 WeakPolarHBondContact CE-OD1 3.18Å; N804-N806 PolarHBondContact N-ND2 3.36Å; N804-N806 PolarHBondContact O-N 3.32Å; N804-N806 VanDerWaalsContact O-N 3.08Å; N804-N806 PolarHBondContact O-ND2 3.32Å; N806-H808 PolarHBondContact O-N 2.79Å; N806-L809 HydrophobicContact CB-CB 3.73Å; N806-L809 HydrophobicContact CB-CD2 4.18Å; N806-L809 PolarHBondContact O-N 3.36Å; N806-N830 VanDerWaalsContact CB-OD1 3.29Å; N806-N830 WeakPolarHBondContact CB-OD1 3.33Å; N806-N830 PolarHBondContact N-OD1 3.36Å; N806-N830 PolarHBondContact ND2-OD1 3.33Å
807	H	93.3	Very high	87.6	Confident	80 Å²	80	30.1 Å²	30.1	37%	0.37	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	-170.6	-69.8	176.7	0	0	0	115.5	G770 L805 R832	G770-H807 PolarHBondContact O-N 2.93Å; G770-H807 VanDerWaalsContact O-N 3.12Å; L805-H807 PolarHBondContact O-CD2 3.49Å; L805-H807 PolarHBondContact O-N 2.81Å; L805-H807 VanDerWaalsContact O-N 3.12Å; H807-R832 PolarHBondContact O-NE 3.2Å
808	H	95.2	Very high	89.1	Confident	44 Å²	44	34 Å²	34	20%	0.204	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-3.3	-174.3	-65.5	-101.4	0	0	0	114	T777 N806 E810	T777-H808 WeakPolarHBondContact CA-O 3.47Å; N806-H808 PolarHBondContact O-N 2.79Å; H808-E810 WeakPolarHBondContact O-CG 3.24Å
809	L	96.2	Very high	90.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.			trans	-76.1	126.3	-175.1	-166.5	72.1	0	0	0	111	L779 I803 N806 L812 R832 L833	L779-L809 HydrophobicContact CD1-CD2 4.47Å; L779-L809 HydrophobicContact CD2-CD1 3.72Å; L779-L809 HydrophobicContact CD2-CD2 4.47Å; L779-L809 HydrophobicContact CG-CD1 3.93Å; L779-L809 HydrophobicContact CG-CD2 4.4Å; I803-L809 HydrophobicContact CG2-CD2 3.89Å; N806-L809 HydrophobicContact CB-CB 3.73Å; N806-L809 HydrophobicContact CB-CD2 4.18Å; N806-L809 PolarHBondContact O-N 3.36Å; L809-L812 HydrophobicContact CD2-CD2 4.31Å; L809-R832 CarbonylContact O-C 3.47Å; L809-R832 WeakPolarHBondContact O-CB 3.43Å; L809-L833 HydrophobicContact CD2-CD1 4.26Å; L809-L833 HydrophobicContact CD2-CD2 4.17Å; L809-L833 HydrophobicContact CG-CD1 4.23Å; L809-L833 VanDerWaalsContact O-CA 3.23Å; L809-L833 WeakPolarHBondContact O-CA 3.49Å; L809-L833 WeakPolarHBondContact O-CB 3.49Å; L809-L833 PolarHBondContact O-N 2.67Å
810	E	95.3	Very high	90.9	Very high	63 Å²	63	27.8 Å²	27.8	29%	0.294	14%	0.137	S	C	.	.			trans	-113.1	-28.4	-172.2	-50.6	-162.4	141.7	0	0	113.1	T777 H808 R832 C834	T777-E810 PolarHBondContact O-N 2.68Å; H808-E810 WeakPolarHBondContact O-CG 3.24Å; E810-R832 WeakPolarHBondContact CA-O 3.43Å; E810-R832 HydrophobicContact CG-CB 4.09Å; E810-R832 IonicContact OE1-NH1 2.62Å; E810-C834 PolarHBondContact O-N 2.97Å
811	F	95.9	Very high	90.2	Very high	26 Å²	26	29 Å²	29	11%	0.114	15%	0.15	C	C	.	.			trans	-153.5	164.5	171.8	64.3	-85.8	0	0	0	111.6	T777 N778 T780 Y835 P930 F934	T777-F811 PolarHBondContact O-N 3.03Å; N778-F811 WeakPolarHBondContact CA-O 3.28Å; N778-F811 HydrophobicContact CB-CD1 3.88Å; N778-F811 HydrophobicContact CB-CD2 3.74Å; N778-F811 HydrophobicContact CB-CE1 3.65Å; N778-F811 HydrophobicContact CB-CE2 3.5Å; N778-F811 HydrophobicContact CB-CG 3.93Å; N778-F811 HydrophobicContact CB-CZ 3.46Å; N778-F811 VanDerWaalsContact CB-CZ 3.46Å; N778-F811 WeakPolarHBondContact CB-O 3.48Å; T780-F811 HydrophobicContact CG2-CE2 4Å; F811-Y835 HydrophobicContact CB-CD2 3.49Å; F811-Y835 VanDerWaalsContact CB-CD2 3.49Å; F811-Y835 HydrophobicContact CB-CE2 3.77Å; F811-P930 HydrophobicContact CD1-CG 4.26Å; F811-P930 HydrophobicContact CE1-CG 4.07Å; F811-P930 HydrophobicContact CZ-CG 4.34Å; F811-F934 HydrophobicContact CE2-CE1 4.07Å; F811-F934 AromaticContact CE2-CE2 3.99Å; F811-F934 HydrophobicContact CE2-CE2 3.99Å; F811-F934 AromaticContact CE2-CZ 3.69Å; F811-F934 HydrophobicContact CE2-CZ 3.69Å; F811-F934 HydrophobicContact CZ-CE2 4.33Å; F811-F934 HydrophobicContact CZ-CZ 4.17Å
812	L	94.6	Very high	89.2	Confident	3 Å²	3	32 Å²	32	2%	0.016	16%	0.164	C	C	.	.			trans	-84.5	-55.1	-179.3	-63.2	179	0	0	0	112.1	L779 I803 L809 M814 I827 L833 V836 W841 W928	L779-L812 CarbonylContact C-O 3.55Å; L779-L812 VanDerWaalsContact C-O 3.29Å; L779-L812 VanDerWaalsContact CA-O 3.23Å; L779-L812 WeakPolarHBondContact CA-O 3.15Å; L779-L812 VanDerWaalsContact CB-O 3.25Å; L779-L812 WeakPolarHBondContact CB-O 3.3Å; L779-L812 HydrophobicContact CD1-CD2 3.95Å; L779-L812 PolarHBondContact N-O 3.31Å; I803-L812 HydrophobicContact CD1-CD2 4.05Å; L809-L812 HydrophobicContact CD2-CD2 4.31Å; L812-M814 VanDerWaalsContact C-N 3.34Å; L812-M814 PolarHBondContact O-N 2.83Å; L812-I827 HydrophobicContact CD1-CD1 4.17Å; L812-L833 HydrophobicContact CD2-CD1 4.14Å; L812-L833 HydrophobicContact CD2-CD2 4.26Å; L812-L833 HydrophobicContact CG-CD1 4.28Å; L812-V836 HydrophobicContact CD1-CG2 3.98Å; L812-V836 HydrophobicContact CG-CG2 4.09Å; L812-W841 HydrophobicContact CD1-CH2 3.9Å; L812-W841 HydrophobicContact CD1-CZ2 3.91Å; L812-W928 HydrophobicContact CB-CE3 4.12Å; L812-W928 HydrophobicContact CD1-CE3 4.16Å; L812-W928 HydrophobicContact CD1-CZ3 3.94Å; L812-W928 PolarHBondContact N-O 2.8Å
813	G	91.5	Very high	87.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.			trans	73.7	16.1	-179.9	0	0	0	0	0	115.8	T815 W928	G813-T815 PolarHBondContact O-N 3.3Å; G813-W928 PolarHBondContact N-O 2.61Å
814	M	91.4	Very high	86.9	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.02	18%	0.176	C	C	.	.			trans	-80.6	63.1	179.2	-64.9	-178.9	69.6	0	0	111.9	L765 L782 I788 L812 S816 L817 W928	L765-M814 HydrophobicContact CD2-CE 3.82Å; L765-M814 HydrophobicContact CD2-SD 4.4Å; L782-M814 HydrophobicContact CB-CE 4.18Å; L782-M814 HydrophobicContact CB-CG 4.17Å; L782-M814 HydrophobicContact CD1-CE 4.27Å; L782-M814 HydrophobicContact CD1-SD 4.48Å; I788-M814 HydrophobicContact CD1-CE 4.07Å; L812-M814 VanDerWaalsContact C-N 3.34Å; L812-M814 PolarHBondContact O-N 2.83Å; M814-S816 VanDerWaalsContact C-N 3.32Å; M814-S816 PolarHBondContact O-N 3.39Å; M814-L817 HydrophobicContact CB-CB 4.41Å; M814-L817 HydrophobicContact CE-CD2 4.26Å; M814-L817 WeakPolarHBondContact O-CB 3.49Å; M814-L817 PolarHBondContact O-N 2.97Å; M814-W928 HydrophobicContact CB-CE3 4.38Å; M814-W928 PolarHBondContact O-NE1 2.78Å
815	T	86.8	Confident	86.6	Confident	24 Å²	24	32.9 Å²	32.9	15%	0.147	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.3	-165.2	45.3	0	0	0	0	116.2	S783 G813 Q933 F934	S783-T815 PolarHBondContact O-OG1 2.63Å; S783-T815 VanDerWaalsContact O-OG1 3.05Å; G813-T815 PolarHBondContact O-N 3.3Å; T815-Q933 WeakPolarHBondContact CG2-O 3.45Å; T815-F934 HydrophobicContact CG2-CD1 3.62Å; T815-F934 HydrophobicContact CG2-CE1 4.37Å
816	S	86.9	Confident	86.4	Confident	19 Å²	19	30 Å²	30	13%	0.133	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-3.9	-174.5	-63.2	0	0	0	0	114.3	S783 V785 K786 M814 Q818	S783-S816 WeakPolarHBondContact O-CB 3.27Å; S783-S816 PolarHBondContact O-N 3.18Å; S783-S816 PolarHBondContact O-OG 3.02Å; V785-S816 CarbonylContact O-C 3.51Å; K786-S816 WeakPolarHBondContact CA-O 3.34Å; M814-S816 VanDerWaalsContact C-N 3.32Å; M814-S816 PolarHBondContact O-N 3.39Å; S816-Q818 WeakPolarHBondContact O-CG 3.37Å; S816-Q818 PolarHBondContact O-N 3.05Å; S816-Q818 PolarHBondContact O-NE2 3.47Å
817	L	89.3	Confident	86.3	Confident	11 Å²	11	30 Å²	30	6%	0.058	16%	0.157	C	C	.	.			trans	-66.4	118.2	-172	-172.6	68.8	0	0	0	111.6	V785 I788 M814 L820 L844 W928	V785-L817 HydrophobicContact CG1-CD1 4.42Å; V785-L817 WeakPolarHBondContact O-CA 3.24Å; V785-L817 PolarHBondContact O-N 3Å; V785-L817 VanDerWaalsContact O-N 3.13Å; I788-L817 HydrophobicContact CD1-CD1 4.06Å; I788-L817 HydrophobicContact CG1-CD1 4.03Å; M814-L817 HydrophobicContact CB-CB 4.41Å; M814-L817 HydrophobicContact CE-CD2 4.26Å; M814-L817 WeakPolarHBondContact O-CB 3.49Å; M814-L817 PolarHBondContact O-N 2.97Å; L817-L820 HydrophobicContact CD1-CD2 4.17Å; L817-L820 HydrophobicContact CD2-CD2 4.25Å; L817-L844 HydrophobicContact CD2-CD1 4.42Å; L817-L844 WeakPolarHBondContact O-CD2 3.45Å; L817-W928 HydrophobicContact CB-CH2 4.42Å; L817-W928 HydrophobicContact CB-CZ2 4.08Å; L817-W928 HydrophobicContact CD2-CH2 3.91Å; L817-W928 HydrophobicContact CD2-CZ2 4.38Å
818	Q	83.7	Confident	86.3	Confident	128 Å²	128	28.1 Å²	28.1	60%	0.598	15%	0.151	S	C	*	.			trans	-117.1	-31.4	-173.4	-76.5	158.2	56	0	0	113.3	K786 S816 L844	K786-Q818 PolarHBondContact O-N 3.45Å; S816-Q818 WeakPolarHBondContact O-CG 3.37Å; S816-Q818 PolarHBondContact O-N 3.05Å; S816-Q818 PolarHBondContact O-NE2 3.47Å; Q818-L844 WeakPolarHBondContact O-CD2 3.08Å
819	K	82.8	Confident	86.1	Confident	32 Å²	32	27 Å²	27	14%	0.139	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	136.2	-173.3	-160	166.7	-174.7	168	0	112.8	K786 I787 I788 F850	K786-K819 PolarHBondContact O-N 3.31Å; I787-K819 WeakPolarHBondContact CA-O 3.28Å; I787-K819 HydrophobicContact CD1-CB 4.12Å; I787-K819 HydrophobicContact CD1-CD 4.5Å; I787-K819 HydrophobicContact CG1-CB 4.02Å; I787-K819 HydrophobicContact CG2-CB 4.36Å; I788-K819 PolarHBondContact N-O 2.85Å; K819-F850 HydrophobicContact CD-CD2 4.17Å
820	L	84.7	Confident	86	Confident	6 Å²	6	27 Å²	27	3%	0.031	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.4	170	-64.7	178.9	0	0	0	108.6	I788 T800 V801 L817 H822 L825 W841 L844 L845	I788-L820 HydrophobicContact CB-CD2 3.9Å; I788-L820 HydrophobicContact CD1-CD2 4.08Å; I788-L820 HydrophobicContact CG1-CD2 4.24Å; T800-L820 HydrophobicContact CG2-CB 4.38Å; T800-L820 HydrophobicContact CG2-CD2 4.17Å; V801-L820 HydrophobicContact CG2-CD1 4.34Å; V801-L820 HydrophobicContact CG2-CD2 3.69Å; L817-L820 HydrophobicContact CD1-CD2 4.17Å; L817-L820 HydrophobicContact CD2-CD2 4.25Å; L820-H822 VanDerWaalsContact C-N 3.29Å; L820-H822 PolarHBondContact O-N 2.82Å; L820-L825 HydrophobicContact CD1-CD1 3.58Å; L820-W841 HydrophobicContact CD1-CE3 4.46Å; L820-W841 HydrophobicContact CD1-CZ3 4.47Å; L820-L844 HydrophobicContact CG-CB 4.5Å; L820-L844 PolarHBondContact N-O 3.39Å; L820-L845 HydrophobicContact CB-CD2 3.75Å
821	G	68.5	Low	86	Confident	28 Å²	28	27.4 Å²	27.4	29%	0.289	16%	0.16	S	C	.	.	S	Bend	trans	-76	-6.1	-171.3	0	0	0	0	0	115.9	I788 G789	I788-G821 PolarHBondContact O-N 2.99Å; G789-G821 CarbonylContact O-C 3.55Å; G789-G821 VanDerWaalsContact O-CA 3.29Å; G789-G821 WeakPolarHBondContact O-CA 3.2Å
822	H	69.3	Low	85.9	Confident	68 Å²	68	30.9 Å²	30.9	32%	0.315	17%	0.172	S	C	.	.	S	Bend	trans	-146.9	140.8	174.8	-146	-95.5	0	0	0	111.5	T800 L820 S824 L845 F894	T800-H822 WeakPolarHBondContact OG1-CB 3.14Å; T800-H822 PolarHBondContact OG1-O 3.02Å; L820-H822 VanDerWaalsContact C-N 3.29Å; L820-H822 PolarHBondContact O-N 2.82Å; H822-S824 PolarHBondContact O-N 2.85Å; H822-L845 WeakPolarHBondContact O-CD2 3.33Å; H822-F894 AromaticContact CE1-CE1 3.66Å; H822-F894 AromaticContact CE1-CZ 3.68Å; H822-F894 AromaticContact NE2-CZ 3.72Å
823	P	64.6	Low	86	Confident	47 Å²	47	30.9 Å²	30.9	31%	0.305	17%	0.172	S	C	.	.	S	Bend	trans	-80.7	57	-174.9	34	-38.3	0	0	0	113.7	L845 S897 T898	P823-L845 HydrophobicContact CB-CD1 4.08Å; P823-L845 HydrophobicContact CB-CD2 4.1Å; P823-S897 CarbonylContact O-C 3.44Å; P823-S897 WeakPolarHBondContact O-CA 3.25Å; P823-T898 PolarHBondContact O-N 3.04Å
824	S	74	Confident	86.1	Confident	11 Å²	11	31.3 Å²	31.3	8%	0.077	18%	0.175	C	C	.	.			trans	-139.9	99.2	-178.2	-170.1	0	0	0	0	110.7	T798 R799 T800 H822	T798-S824 VanDerWaalsContact O-CB 3.27Å; T798-S824 WeakPolarHBondContact O-CB 3.38Å; T798-S824 PolarHBondContact O-OG 3.23Å; R799-S824 CarbonylContact C-O 3.57Å; R799-S824 WeakPolarHBondContact CA-OG 3.48Å; R799-S824 WeakPolarHBondContact CG-OG 3.07Å; T800-S824 PolarHBondContact N-O 3.14Å; H822-S824 PolarHBondContact O-N 2.85Å
825	L	86	Confident	86.2	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.6	-171.8	-175.4	126.5	0	0	0	110.3	R799 V801 L820 I827 W841 T898 I899 F900 V901	R799-L825 PolarHBondContact NH1-O 3.08Å; V801-L825 HydrophobicContact CB-CD1 3.89Å; V801-L825 HydrophobicContact CB-CG 4.3Å; V801-L825 HydrophobicContact CG1-CD1 4.38Å; V801-L825 HydrophobicContact CG2-CD1 4.21Å; V801-L825 WeakPolarHBondContact O-CA 3.37Å; L820-L825 HydrophobicContact CD1-CD1 3.58Å; L825-I827 HydrophobicContact CD2-CD1 3.96Å; L825-I827 HydrophobicContact CD2-CG1 3.96Å; L825-I827 HydrophobicContact CG-CG1 4.48Å; L825-W841 HydrophobicContact CD1-CD2 4.38Å; L825-W841 HydrophobicContact CD1-CE3 3.5Å; L825-W841 VanDerWaalsContact CD1-CE3 3.5Å; L825-W841 HydrophobicContact CD1-CH2 4.33Å; L825-W841 HydrophobicContact CD1-CZ3 3.46Å; L825-W841 VanDerWaalsContact CD1-CZ3 3.46Å; L825-W841 HydrophobicContact CD2-CD2 4.15Å; L825-W841 HydrophobicContact CD2-CE3 4.07Å; L825-W841 HydrophobicContact CD2-CZ3 4.41Å; L825-W841 HydrophobicContact CG-CE3 4.46Å; L825-T898 VanDerWaalsContact O-O 3.05Å; L825-I899 HydrophobicContact CD2-CG2 4.03Å; L825-F900 PolarHBondContact O-N 3.46Å; L825-V901 HydrophobicContact CD2-CG2 3.92Å
826	L	88.8	Confident	86.4	Confident	31 Å²	31	31.5 Å²	31.5	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.9	178.8	-179.4	57.9	0	0	0	110.8	R799 V801 N802 I803 T828 F900	R799-L826 VanDerWaalsContact CD-CB 3.47Å; V801-L826 PolarHBondContact O-N 3.27Å; N802-L826 CarbonylContact C-O 3.57Å; N802-L826 WeakPolarHBondContact CA-O 3.49Å; N802-L826 WeakPolarHBondContact OD1-CD2 3.04Å; I803-L826 PolarHBondContact N-O 2.77Å; L826-T828 HydrophobicContact CD1-CG2 3.62Å; L826-T828 HydrophobicContact CD2-CG2 4.43Å; L826-T828 HydrophobicContact CG-CG2 3.95Å; L826-F900 WeakPolarHBondContact CA-O 3.48Å; L826-F900 HydrophobicContact CD1-CB 3.85Å; L826-F900 HydrophobicContact CD1-CD1 3.65Å; L826-F900 HydrophobicContact CD1-CG 4.06Å
827	I	92.9	Very high	86.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	101.7	173.3	-53.6	-179.6	0	0	0	108	I803 L812 L825 L833 V836 W841 F900 V901 G902 N904	I803-I827 HydrophobicContact CB-CG1 4.45Å; I803-I827 WeakPolarHBondContact O-CA 3.26Å; L812-I827 HydrophobicContact CD1-CD1 4.17Å; L825-I827 HydrophobicContact CD2-CD1 3.96Å; L825-I827 HydrophobicContact CD2-CG1 3.96Å; L825-I827 HydrophobicContact CG-CG1 4.48Å; I827-L833 HydrophobicContact CG2-CD2 3.58Å; I827-V836 HydrophobicContact CD1-CG1 3.94Å; I827-V836 HydrophobicContact CG2-CG1 4.44Å; I827-W841 HydrophobicContact CD1-CH2 3.8Å; I827-W841 HydrophobicContact CD1-CZ2 3.7Å; I827-F900 PolarHBondContact N-O 3.34Å; I827-V901 HydrophobicContact CB-CG2 4.38Å; I827-G902 PolarHBondContact O-N 2.73Å; I827-N904 PolarHBondContact O-ND2 3.4Å
828	T	93.1	Very high	86.4	Confident	41 Å²	41	36.9 Å²	36.9	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.8	-171.8	-174.6	0	0	0	0	114.5	I803 N804 L805 L826 N830 G902	I803-T828 PolarHBondContact O-N 3.06Å; N804-T828 CarbonylContact C-O 3.52Å; N804-T828 WeakPolarHBondContact CA-O 2.85Å; N804-T828 HydrophobicContact CB-CG2 3.98Å; N804-T828 WeakPolarHBondContact CB-O 3.24Å; L805-T828 PolarHBondContact N-O 3.39Å; L826-T828 HydrophobicContact CD1-CG2 3.62Å; L826-T828 HydrophobicContact CD2-CG2 4.43Å; L826-T828 HydrophobicContact CG-CG2 3.95Å; T828-N830 VanDerWaalsContact C-N 3.32Å; T828-N830 PolarHBondContact N-ND2 2.95Å; T828-N830 PolarHBondContact O-N 3.42Å; T828-N830 PolarHBondContact O-ND2 3.08Å; T828-G902 WeakPolarHBondContact CA-O 3.31Å; T828-G902 VanDerWaalsContact CB-O 3.29Å; T828-G902 WeakPolarHBondContact CB-O 3.19Å; T828-G902 PolarHBondContact OG1-O 2.71Å; T828-G902 VanDerWaalsContact OG1-O 3.07Å
829	G	91	Very high	86.6	Confident	22 Å²	22	31.5 Å²	31.5	23%	0.227	18%	0.178	C	C	.	.	S	Bend	trans	71.4	25.2	177.8	0	0	0	0	0	113.6	L805 P831 G903	L805-G829 CarbonylContact C-O 3.49Å; L805-G829 VanDerWaalsContact CA-O 3.27Å; L805-G829 WeakPolarHBondContact CA-O 3.22Å; G829-P831 VanDerWaalsContact C-CD 3.49Å; G829-P831 WeakPolarHBondContact O-CD 3.41Å; G829-G903 VanDerWaalsContact CA-O 3.29Å; G829-G903 WeakPolarHBondContact CA-O 3.42Å; G829-G903 PolarHBondContact N-O 3.35Å
830	N	95.8	Very high	86.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.			trans	-106.1	80	176.8	-47	-78.8	0	0	0	108.8	I803 N806 T828 R832 L833 G903 N904 A905	I803-N830 PolarHBondContact O-ND2 2.92Å; N806-N830 VanDerWaalsContact CB-OD1 3.29Å; N806-N830 WeakPolarHBondContact CB-OD1 3.33Å; N806-N830 PolarHBondContact N-OD1 3.36Å; N806-N830 PolarHBondContact ND2-OD1 3.33Å; T828-N830 VanDerWaalsContact C-N 3.32Å; T828-N830 PolarHBondContact N-ND2 2.95Å; T828-N830 PolarHBondContact O-N 3.42Å; T828-N830 PolarHBondContact O-ND2 3.08Å; N830-R832 PolarHBondContact O-N 3.12Å; N830-L833 HydrophobicContact CB-CB 3.58Å; N830-L833 HydrophobicContact CB-CD2 3.67Å; N830-L833 HydrophobicContact CB-CG 4.29Å; N830-L833 VanDerWaalsContact O-CB 3.3Å; N830-L833 WeakPolarHBondContact O-CB 3.47Å; N830-L833 PolarHBondContact O-N 3.21Å; N830-G903 PolarHBondContact N-O 2.69Å; N830-N904 WeakPolarHBondContact CB-OD1 3.35Å; N830-N904 PolarHBondContact N-OD1 2.83Å; N830-N904 PolarHBondContact ND2-OD1 2.83Å; N830-N904 WeakPolarHBondContact O-CA 2.96Å; N830-A905 PolarHBondContact O-N 3.44Å
831	P	93.6	Very high	86.6	Confident	70 Å²	70	34.7 Å²	34.7	46%	0.455	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.6	-162.8	27.4	-38.8	0	0	0	116.2	G829	G829-P831 VanDerWaalsContact C-CD 3.49Å; G829-P831 WeakPolarHBondContact O-CD 3.41Å
832	R	94.9	Very high	87.1	Confident	100 Å²	100	37.3 Å²	37.3	38%	0.377	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-5.6	173.7	-58	-175.1	-173.1	-158.8	0.7	113.6	H807 L809 E810 N830 C834	H807-R832 PolarHBondContact O-NE 3.2Å; L809-R832 CarbonylContact O-C 3.47Å; L809-R832 WeakPolarHBondContact O-CB 3.43Å; E810-R832 WeakPolarHBondContact CA-O 3.43Å; E810-R832 HydrophobicContact CG-CB 4.09Å; E810-R832 IonicContact OE1-NH1 2.62Å; N830-R832 PolarHBondContact O-N 3.12Å; R832-C834 PolarHBondContact O-N 3.23Å
833	L	95.8	Very high	87.3	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.213	C	C	.	.			trans	-76.8	112.5	-167.2	176.6	58	0	0	0	111.2	L809 L812 I827 N830 V836 N904 A905	L809-L833 HydrophobicContact CD2-CD1 4.26Å; L809-L833 HydrophobicContact CD2-CD2 4.17Å; L809-L833 HydrophobicContact CG-CD1 4.23Å; L809-L833 VanDerWaalsContact O-CA 3.23Å; L809-L833 WeakPolarHBondContact O-CA 3.49Å; L809-L833 WeakPolarHBondContact O-CB 3.49Å; L809-L833 PolarHBondContact O-N 2.67Å; L812-L833 HydrophobicContact CD2-CD1 4.14Å; L812-L833 HydrophobicContact CD2-CD2 4.26Å; L812-L833 HydrophobicContact CG-CD1 4.28Å; I827-L833 HydrophobicContact CG2-CD2 3.58Å; N830-L833 HydrophobicContact CB-CB 3.58Å; N830-L833 HydrophobicContact CB-CD2 3.67Å; N830-L833 HydrophobicContact CB-CG 4.29Å; N830-L833 VanDerWaalsContact O-CB 3.3Å; N830-L833 WeakPolarHBondContact O-CB 3.47Å; N830-L833 PolarHBondContact O-N 3.21Å; L833-V836 HydrophobicContact CD1-CG2 3.82Å; L833-V836 HydrophobicContact CD2-CG2 3.74Å; L833-V836 HydrophobicContact CG-CG2 3.56Å; L833-N904 HydrophobicContact CB-CB 4.36Å; L833-A905 WeakPolarHBondContact O-CB 3.49Å; L833-A905 PolarHBondContact O-N 2.86Å
834	C	95.1	Very high	88	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.061	20%	0.202	C	C	.	.			trans	-103	-178.1	177.3	-69.1	0	0	0	0	111.6	E810 R832 V836 C910 A915	E810-C834 PolarHBondContact O-N 2.97Å; R832-C834 PolarHBondContact O-N 3.23Å; C834-V836 PolarHBondContact O-N 3.01Å; C834-C910 WeakPolarHBondContact CA-SG 3.35Å; C834-C910 HydrophobicContact CB-CB 3.75Å; C834-C910 WeakPolarHBondContact CB-SG 3.49Å; C834-C910 VanDerWaalsContact SG-CA 3.55Å; C834-C910 WeakPolarHBondContact SG-CB 3.48Å; C834-C910 CovalentContact SG-SG 2.03Å; C834-C910 PolarHBondContact SG-SG 2.82Å; C834-A915 HydrophobicContact CB-CB 4.07Å
835	Y	93.8	Very high	87.8	Confident	29 Å²	29	37 Å²	37	11%	0.114	21%	0.207	C	C	.	.	S	Bend	trans	66.2	-22.1	175.9	-44.5	-88.6	0	0	0	116.9	F811 D837 T838 A915 P930	F811-Y835 HydrophobicContact CB-CD2 3.49Å; F811-Y835 VanDerWaalsContact CB-CD2 3.49Å; F811-Y835 HydrophobicContact CB-CE2 3.77Å; Y835-D837 PolarHBondContact O-N 3.09Å; Y835-T838 WeakPolarHBondContact O-CB 3.47Å; Y835-T838 PolarHBondContact O-N 3.44Å; Y835-T838 PolarHBondContact O-OG1 2.99Å; Y835-A915 HydrophobicContact CE1-CB 4.34Å; Y835-A915 HydrophobicContact CE2-CB 4.12Å; Y835-A915 VanDerWaalsContact OH-CA 3.27Å; Y835-A915 WeakPolarHBondContact OH-CA 3.01Å; Y835-A915 WeakPolarHBondContact OH-CB 3.46Å; Y835-P930 WeakPolarHBondContact OH-CB 3.21Å
836	V	90.7	Very high	86	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.024	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56	-36.2	-179.6	-175.1	0	0	0	0	112.5	L812 I827 L833 C834 T838 I839 W841 V901	L812-V836 HydrophobicContact CD1-CG2 3.98Å; L812-V836 HydrophobicContact CG-CG2 4.09Å; I827-V836 HydrophobicContact CD1-CG1 3.94Å; I827-V836 HydrophobicContact CG2-CG1 4.44Å; L833-V836 HydrophobicContact CD1-CG2 3.82Å; L833-V836 HydrophobicContact CD2-CG2 3.74Å; L833-V836 HydrophobicContact CG-CG2 3.56Å; C834-V836 PolarHBondContact O-N 3.01Å; V836-T838 PolarHBondContact O-N 3.19Å; V836-I839 PolarHBondContact O-N 3.43Å; V836-W841 HydrophobicContact CG1-CZ2 3.89Å; V836-W841 PolarHBondContact O-NE1 3.1Å; V836-W841 VanDerWaalsContact O-NE1 3.11Å; V836-V901 HydrophobicContact CB-CG1 4.4Å; V836-V901 HydrophobicContact CG1-CG1 3.53Å; V836-V901 HydrophobicContact CG1-CG2 4.13Å
837	D	86.6	Confident	83.9	Confident	95 Å²	95	43.8 Å²	43.8	51%	0.508	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.8	-10.2	176.8	-55	-19.2	0	0	0	113.7	Y835	Y835-D837 PolarHBondContact O-N 3.09Å
838	T	88.5	Confident	81.3	Confident	48 Å²	48	53.1 Å²	53.1	29%	0.294	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-92.8	-15.9	178.6	76.2	0	0	0	0	113.2	Y835 V836 G926 C927	Y835-T838 WeakPolarHBondContact O-CB 3.47Å; Y835-T838 PolarHBondContact O-N 3.44Å; Y835-T838 PolarHBondContact O-OG1 2.99Å; V836-T838 PolarHBondContact O-N 3.19Å; T838-G926 VanDerWaalsContact O-CA 3.31Å; T838-G926 WeakPolarHBondContact O-CA 3.45Å; T838-C927 PolarHBondContact OG1-N 2.95Å; T838-C927 VanDerWaalsContact OG1-N 3.07Å; T838-C927 PolarHBondContact OG1-O 2.83Å; T838-C927 VanDerWaalsContact OG1-O 3.13Å
839	I	87.6	Confident	78.7	Confident	15 Å²	15	54.1 Å²	54.1	8%	0.077	29%	0.294	C	S	.	.	S	Bend	trans	-83.1	127.3	-177.5	-59.1	-63.2	0	0	0	109.8	V836 W841 L844 W928 T936	V836-I839 PolarHBondContact O-N 3.43Å; I839-W841 VanDerWaalsContact C-N 3.3Å; I839-W841 HydrophobicContact CB-CD2 4.43Å; I839-W841 HydrophobicContact CB-CZ2 4.14Å; I839-W841 HydrophobicContact CG1-CZ2 4.37Å; I839-W841 HydrophobicContact CG2-CD2 3.85Å; I839-W841 HydrophobicContact CG2-CE3 4.3Å; I839-W841 HydrophobicContact CG2-CG 4.17Å; I839-W841 HydrophobicContact CG2-CH2 4.47Å; I839-W841 HydrophobicContact CG2-CZ2 4Å; I839-W841 PolarHBondContact O-N 2.98Å; I839-L844 HydrophobicContact CG2-CD1 4.17Å; I839-W928 HydrophobicContact CD1-CD2 3.68Å; I839-W928 HydrophobicContact CD1-CE3 3.8Å; I839-W928 HydrophobicContact CD1-CG 4.17Å; I839-W928 HydrophobicContact CD1-CH2 4.22Å; I839-W928 HydrophobicContact CD1-CZ2 4.13Å; I839-W928 HydrophobicContact CD1-CZ3 4.07Å; I839-W928 HydrophobicContact CG1-CD2 4.39Å; I839-W928 HydrophobicContact CG1-CE3 3.99Å; I839-W928 HydrophobicContact CG1-CH2 4.3Å; I839-W928 HydrophobicContact CG1-CZ3 3.94Å; I839-W928 HydrophobicContact CG2-CH2 3.88Å; I839-W928 HydrophobicContact CG2-CZ2 4.31Å; I839-W928 HydrophobicContact CG2-CZ3 4.27Å; I839-T936 HydrophobicContact CD1-CG2 3.69Å
840	D	84.6	Confident	76	Confident	80 Å²	80	54 Å²	54	43%	0.428	29%	0.287	S	S	.	.			trans	-74.5	83.7	167.2	-177.1	-8.6	0	0	0	110	T842 S843	D840-T842 PolarHBondContact O-N 3.18Å; D840-T842 WeakPolarHBondContact OD1-CA 3.44Å; D840-T842 WeakPolarHBondContact OD1-CB 3.29Å; D840-T842 PolarHBondContact OD1-N 3.03Å; D840-T842 PolarHBondContact OD1-OG1 2.71Å; D840-S843 WeakPolarHBondContact O-CB 3.26Å; D840-S843 PolarHBondContact O-N 3.07Å; D840-S843 VanDerWaalsContact O-N 3.1Å; D840-S843 PolarHBondContact O-OG 3.29Å; D840-S843 PolarHBondContact OD1-N 3.49Å
841	W	83.9	Confident	73.1	Confident	25 Å²	25	59 Å²	59	10%	0.095	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	176.4	-66.4	99.7	0	0	0	113.7	L812 L820 L825 I827 V836 I839 L844 I899 W928	L812-W841 HydrophobicContact CD1-CH2 3.9Å; L812-W841 HydrophobicContact CD1-CZ2 3.91Å; L820-W841 HydrophobicContact CD1-CE3 4.46Å; L820-W841 HydrophobicContact CD1-CZ3 4.47Å; L825-W841 HydrophobicContact CD1-CD2 4.38Å; L825-W841 HydrophobicContact CD1-CE3 3.5Å; L825-W841 VanDerWaalsContact CD1-CE3 3.5Å; L825-W841 HydrophobicContact CD1-CH2 4.33Å; L825-W841 HydrophobicContact CD1-CZ3 3.46Å; L825-W841 VanDerWaalsContact CD1-CZ3 3.46Å; L825-W841 HydrophobicContact CD2-CD2 4.15Å; L825-W841 HydrophobicContact CD2-CE3 4.07Å; L825-W841 HydrophobicContact CD2-CZ3 4.41Å; L825-W841 HydrophobicContact CG-CE3 4.46Å; I827-W841 HydrophobicContact CD1-CH2 3.8Å; I827-W841 HydrophobicContact CD1-CZ2 3.7Å; V836-W841 HydrophobicContact CG1-CZ2 3.89Å; V836-W841 PolarHBondContact O-NE1 3.1Å; V836-W841 VanDerWaalsContact O-NE1 3.11Å; I839-W841 VanDerWaalsContact C-N 3.3Å; I839-W841 HydrophobicContact CB-CD2 4.43Å; I839-W841 HydrophobicContact CB-CZ2 4.14Å; I839-W841 HydrophobicContact CG1-CZ2 4.37Å; I839-W841 HydrophobicContact CG2-CD2 3.85Å; I839-W841 HydrophobicContact CG2-CE3 4.3Å; I839-W841 HydrophobicContact CG2-CG 4.17Å; I839-W841 HydrophobicContact CG2-CH2 4.47Å; I839-W841 HydrophobicContact CG2-CZ2 4Å; I839-W841 PolarHBondContact O-N 2.98Å; W841-L844 HydrophobicContact CE3-CD1 3.93Å; W841-L844 HydrophobicContact CZ3-CD1 4.11Å; W841-I899 HydrophobicContact CB-CD1 4.4Å; W841-I899 HydrophobicContact CB-CG2 4.35Å; W841-W928 AromaticContact CH2-CH2 3.91Å; W841-W928 HydrophobicContact CH2-CH2 3.91Å; W841-W928 AromaticContact CH2-CZ3 3.64Å; W841-W928 HydrophobicContact CH2-CZ3 3.64Å; W841-W928 HydrophobicContact CZ2-CH2 4.48Å; W841-W928 HydrophobicContact CZ2-CZ3 4.05Å; W841-W928 HydrophobicContact CZ3-CH2 4.19Å; W841-W928 HydrophobicContact CZ3-CZ3 4.37Å
842	T	77.7	Confident	70.3	Confident	82 Å²	82	61 Å²	61	50%	0.503	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-32.9	174.5	17.2	0	0	0	0	112.5	D840 L844 L845 N846 I899	D840-T842 PolarHBondContact O-N 3.18Å; D840-T842 WeakPolarHBondContact OD1-CA 3.44Å; D840-T842 WeakPolarHBondContact OD1-CB 3.29Å; D840-T842 PolarHBondContact OD1-N 3.03Å; D840-T842 PolarHBondContact OD1-OG1 2.71Å; T842-L844 VanDerWaalsContact C-N 3.34Å; T842-L844 PolarHBondContact O-N 2.76Å; T842-L845 PolarHBondContact O-N 2.84Å; T842-N846 PolarHBondContact O-ND2 2.95Å; T842-I899 HydrophobicContact CG2-CD1 4.36Å
843	S	75.2	Confident	67.3	Low	68 Å²	68	60.1 Å²	60.1	48%	0.476	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-62.2	-39.9	175.6	72.3	0	0	0	0	112.6	D840 L845 N846	D840-S843 WeakPolarHBondContact O-CB 3.26Å; D840-S843 PolarHBondContact O-N 3.07Å; D840-S843 VanDerWaalsContact O-N 3.1Å; D840-S843 PolarHBondContact O-OG 3.29Å; D840-S843 PolarHBondContact OD1-N 3.49Å; S843-L845 PolarHBondContact O-N 2.94Å; S843-L845 VanDerWaalsContact O-N 3.13Å; S843-N846 PolarHBondContact O-N 2.82Å
844	L	77.7	Confident	64.3	Low	16 Å²	16	63.3 Å²	63.3	8%	0.084	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-69.3	-7.6	-177.6	-62.2	174.1	0	0	0	114.5	L817 Q818 L820 I839 W841 T842 W928	L817-L844 HydrophobicContact CD2-CD1 4.42Å; L817-L844 WeakPolarHBondContact O-CD2 3.45Å; Q818-L844 WeakPolarHBondContact O-CD2 3.08Å; L820-L844 HydrophobicContact CG-CB 4.5Å; L820-L844 PolarHBondContact N-O 3.39Å; I839-L844 HydrophobicContact CG2-CD1 4.17Å; W841-L844 HydrophobicContact CE3-CD1 3.93Å; W841-L844 HydrophobicContact CZ3-CD1 4.11Å; T842-L844 VanDerWaalsContact C-N 3.34Å; T842-L844 PolarHBondContact O-N 2.76Å; L844-W928 HydrophobicContact CD1-CH2 4.04Å; L844-W928 HydrophobicContact CD1-CZ2 4.3Å
845	L	70.7	Confident	61.5	Low	36 Å²	36	68.5 Å²	68.5	19%	0.188	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-109.5	-11.9	-174.6	-72.3	171.4	0	0	0	114.2	L820 H822 P823 T842 S843 D847 I899	L820-L845 HydrophobicContact CB-CD2 3.75Å; H822-L845 WeakPolarHBondContact O-CD2 3.33Å; P823-L845 HydrophobicContact CB-CD1 4.08Å; P823-L845 HydrophobicContact CB-CD2 4.1Å; T842-L845 PolarHBondContact O-N 2.84Å; S843-L845 PolarHBondContact O-N 2.94Å; S843-L845 VanDerWaalsContact O-N 3.13Å; L845-D847 PolarHBondContact O-N 2.9Å; L845-I899 HydrophobicContact CD1-CD1 3.57Å; L845-I899 HydrophobicContact CD1-CG1 4Å
846	N	49.1	Very low	58.6	Low	117 Å²	117	70.7 Å²	70.7	63%	0.626	38%	0.378	S	S	*	.			trans	-94.7	77	-168	-78.8	-38.9	0	0	0	113.5	T842 S843	T842-N846 PolarHBondContact O-ND2 2.95Å; S843-N846 PolarHBondContact O-N 2.82Å
847	D	43.2	Very low	55.8	Low	61 Å²	61	76 Å²	76	33%	0.326	40%	0.401	S	S	.	.			trans	-153.4	117.7	145.9	-122	-20.9	0	0	0	114.3	L845 T849 K1018	L845-D847 PolarHBondContact O-N 2.9Å; D847-T849 PolarHBondContact O-N 2.71Å; D847-K1018 IonicContact OD1-NZ 3.67Å; D847-K1018 PolarHBondContact OD1-NZ 2.98Å; D847-K1018 IonicContact OD2-NZ 2.77Å; D847-K1018 PolarHBondContact OD2-NZ 3Å
848	E	39.5	Very low	53.3	Low	195 Å²	195	73.2 Å²	73.2	91%	0.911	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.6	177.5	-62.6	-172.4	124.5	0	0	112.9	F850	E848-F850 VanDerWaalsContact C-N 3.32Å; E848-F850 PolarHBondContact O-N 2.79Å
849	T	37.5	Very low	50.7	Low	62 Å²	62	73.7 Å²	73.7	38%	0.38	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.2	-176.1	54.4	0	0	0	0	115.4	D847 V851 D852 E853	D847-T849 PolarHBondContact O-N 2.71Å; T849-V851 VanDerWaalsContact C-N 3.32Å; T849-V851 PolarHBondContact O-N 3.39Å; T849-D852 PolarHBondContact O-N 3.09Å; T849-E853 PolarHBondContact O-N 3.07Å
850	F	35.5	Very low	48	Very low	19 Å²	19	78.5 Å²	78.5	8%	0.083	42%	0.417	C	S	.	.	H	α-helix	trans	-66.3	-32.2	-169.6	-169.8	-128.7	0	0	0	114	Y760 I787 K819 E848 D852 L854	Y760-F850 WeakPolarHBondContact OH-CE2 3.23Å; I787-F850 HydrophobicContact CG2-CE2 4.35Å; I787-F850 HydrophobicContact CG2-CZ 3.88Å; K819-F850 HydrophobicContact CD-CD2 4.17Å; E848-F850 VanDerWaalsContact C-N 3.32Å; E848-F850 PolarHBondContact O-N 2.79Å; F850-D852 VanDerWaalsContact C-N 3.34Å; F850-L854 HydrophobicContact CD1-CD1 4.07Å; F850-L854 HydrophobicContact CE1-CD1 3.55Å; F850-L854 HydrophobicContact CE1-CG 4.46Å; F850-L854 HydrophobicContact CE2-CD1 4.05Å; F850-L854 HydrophobicContact CE2-CG 4.11Å; F850-L854 HydrophobicContact CZ-CD1 3.56Å; F850-L854 HydrophobicContact CZ-CG 4.09Å; F850-L854 WeakPolarHBondContact O-CB 3.44Å; F850-L854 PolarHBondContact O-N 2.9Å
851	V	35.1	Very low	45.6	Very low	106 Å²	106	79.4 Å²	79.4	64%	0.642	42%	0.421	S	S	*	.	H	α-helix	trans	-64.2	-42.7	176.4	179.7	0	0	0	0	110.1	T849 H855	T849-V851 VanDerWaalsContact C-N 3.32Å; T849-V851 PolarHBondContact O-N 3.39Å; V851-H855 WeakPolarHBondContact O-CB 3.36Å; V851-H855 PolarHBondContact O-N 3.37Å
852	D	33.6	Very low	43.1	Very low	111 Å²	111	80.8 Å²	80.8	59%	0.594	44%	0.435	S	S	*	.	H	α-helix	trans	-75.9	-35.9	-178.8	-57.9	-39.3	0	0	0	112.2	T849 F850 H855 D856	T849-D852 PolarHBondContact O-N 3.09Å; F850-D852 VanDerWaalsContact C-N 3.34Å; D852-H855 CarbonylContact O-C 3.54Å; D852-H855 WeakPolarHBondContact O-CB 3.39Å; D852-H855 PolarHBondContact O-N 2.7Å; D852-H855 VanDerWaalsContact O-N 3.16Å; D852-D856 PolarHBondContact O-N 3.16Å
853	E	32	Very low	40.9	Very low	82 Å²	82	83.6 Å²	83.6	38%	0.383	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-40.1	172.2	-91	-154.9	96.8	0	0	113	T849 H855 D856 K857	T849-E853 PolarHBondContact O-N 3.07Å; E853-H855 VanDerWaalsContact C-N 3.28Å; E853-D856 PolarHBondContact O-N 2.74Å; E853-K857 WeakPolarHBondContact O-CB 3.35Å; E853-K857 PolarHBondContact O-N 2.84Å; E853-K857 IonicContact OE1-NZ 3.06Å; E853-K857 PolarHBondContact OE1-NZ 3.37Å
854	L	33.2	Very low	38.7	Very low	70 Å²	70	85.5 Å²	85.5	37%	0.366	44%	0.444	S	S	.	.	H	α-helix	trans	-68.3	-31.3	171.1	-86.8	172	0	0	0	111.3	F850 G858	F850-L854 HydrophobicContact CD1-CD1 4.07Å; F850-L854 HydrophobicContact CE1-CD1 3.55Å; F850-L854 HydrophobicContact CE1-CG 4.46Å; F850-L854 HydrophobicContact CE2-CD1 4.05Å; F850-L854 HydrophobicContact CE2-CG 4.11Å; F850-L854 HydrophobicContact CZ-CD1 3.56Å; F850-L854 HydrophobicContact CZ-CG 4.09Å; F850-L854 WeakPolarHBondContact O-CB 3.44Å; F850-L854 PolarHBondContact O-N 2.9Å; L854-G858 VanDerWaalsContact O-CA 3.24Å; L854-G858 WeakPolarHBondContact O-CA 3.28Å; L854-G858 PolarHBondContact O-N 2.9Å
855	H	35.8	Very low	36.5	Very low	118 Å²	118	89.2 Å²	89.2	55%	0.546	46%	0.463	S	S	.	.	H	α-helix	trans	-68.1	-40	173.7	-142.4	-65.2	0	0	0	112	V851 D852 E853 T859	V851-H855 WeakPolarHBondContact O-CB 3.36Å; V851-H855 PolarHBondContact O-N 3.37Å; D852-H855 CarbonylContact O-C 3.54Å; D852-H855 WeakPolarHBondContact O-CB 3.39Å; D852-H855 PolarHBondContact O-N 2.7Å; D852-H855 VanDerWaalsContact O-N 3.16Å; E853-H855 VanDerWaalsContact C-N 3.28Å; H855-T859 WeakPolarHBondContact O-CB 3.44Å; H855-T859 VanDerWaalsContact O-CG2 3.27Å; H855-T859 WeakPolarHBondContact O-CG2 3.29Å; H855-T859 PolarHBondContact O-N 3.46Å; H855-T859 PolarHBondContact O-OG1 2.72Å; H855-T859 VanDerWaalsContact O-OG1 3.11Å
856	D	33.4	Very low	34.6	Very low	75 Å²	75	96 Å²	96	40%	0.401	49%	0.491	S	S	.	.	H	α-helix	trans	-81.5	-36.9	-179.2	-176.4	65	0	0	0	113.6	D852 E853 G858 T859 K860	D852-D856 PolarHBondContact O-N 3.16Å; E853-D856 PolarHBondContact O-N 2.74Å; D856-G858 VanDerWaalsContact C-N 3.3Å; D856-T859 WeakPolarHBondContact CA-OG1 3.42Å; D856-T859 PolarHBondContact O-N 2.8Å; D856-T859 PolarHBondContact O-OG1 3.4Å; D856-T859 VanDerWaalsContact O-OG1 3.1Å; D856-K860 WeakPolarHBondContact O-CB 3.02Å; D856-K860 WeakPolarHBondContact O-CG 3.02Å; D856-K860 PolarHBondContact O-N 2.73Å; D856-K860 IonicContact OD1-NZ 2.75Å; D856-K860 PolarHBondContact OD1-NZ 2.75Å; D856-K860 IonicContact OD2-NZ 4Å; D856-K860 PolarHBondContact OD2-NZ 3.46Å
857	K	32	Very low	33.6	Very low	115 Å²	115	95.8 Å²	95.8	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-68.3	-34.9	167.8	-73.3	162.7	178.2	159.1	0	110.5	E853 K860 I861	E853-K857 WeakPolarHBondContact O-CB 3.35Å; E853-K857 PolarHBondContact O-N 2.84Å; E853-K857 IonicContact OE1-NZ 3.06Å; E853-K857 PolarHBondContact OE1-NZ 3.37Å; K857-K860 PolarHBondContact O-N 2.81Å; K857-I861 WeakPolarHBondContact O-CB 3.34Å; K857-I861 VanDerWaalsContact O-CG1 3.27Å; K857-I861 WeakPolarHBondContact O-CG1 3.42Å; K857-I861 PolarHBondContact O-N 2.7Å
858	G	32.6	Very low	32.8	Very low	36 Å²	36	99 Å²	99	37%	0.371	51%	0.505	S	S	.	.	H	α-helix	trans	-66	-39.2	171.8	0	0	0	0	0	113.7	L854 D856 S862	L854-G858 VanDerWaalsContact O-CA 3.24Å; L854-G858 WeakPolarHBondContact O-CA 3.28Å; L854-G858 PolarHBondContact O-N 2.9Å; D856-G858 VanDerWaalsContact C-N 3.3Å; G858-S862 VanDerWaalsContact O-CB 3.31Å; G858-S862 WeakPolarHBondContact O-CB 3.42Å; G858-S862 PolarHBondContact O-N 2.79Å
859	T	33.9	Very low	32.3	Very low	58 Å²	58	94.6 Å²	94.6	36%	0.356	49%	0.489	S	S	.	.	H	α-helix	trans	-76.5	-28	173.6	54.3	0	0	0	0	112.6	H855 D856 S862 K863	H855-T859 WeakPolarHBondContact O-CB 3.44Å; H855-T859 VanDerWaalsContact O-CG2 3.27Å; H855-T859 WeakPolarHBondContact O-CG2 3.29Å; H855-T859 PolarHBondContact O-N 3.46Å; H855-T859 PolarHBondContact O-OG1 2.72Å; H855-T859 VanDerWaalsContact O-OG1 3.11Å; D856-T859 WeakPolarHBondContact CA-OG1 3.42Å; D856-T859 PolarHBondContact O-N 2.8Å; D856-T859 PolarHBondContact O-OG1 3.4Å; D856-T859 VanDerWaalsContact O-OG1 3.1Å; T859-S862 CarbonylContact O-C 3.53Å; T859-S862 WeakPolarHBondContact O-CB 3.41Å; T859-S862 PolarHBondContact O-N 3.36Å; T859-K863 WeakPolarHBondContact O-CB 3.29Å; T859-K863 PolarHBondContact O-N 3.03Å
860	K	31.9	Very low	31.8	Very low	116 Å²	116	97.6 Å²	97.6	50%	0.504	51%	0.507	S	S	.	.	H	α-helix	trans	-69.4	-39.5	168.4	-79.5	165	176.2	137	0	112	D856 K857 S862 K863 L864	D856-K860 WeakPolarHBondContact O-CB 3.02Å; D856-K860 WeakPolarHBondContact O-CG 3.02Å; D856-K860 PolarHBondContact O-N 2.73Å; D856-K860 IonicContact OD1-NZ 2.75Å; D856-K860 PolarHBondContact OD1-NZ 2.75Å; D856-K860 IonicContact OD2-NZ 4Å; D856-K860 PolarHBondContact OD2-NZ 3.46Å; K857-K860 PolarHBondContact O-N 2.81Å; K860-S862 VanDerWaalsContact C-N 3.35Å; K860-K863 PolarHBondContact O-N 2.91Å; K860-L864 WeakPolarHBondContact O-CD1 3.12Å; K860-L864 PolarHBondContact O-N 2.91Å
861	I	34.6	Very low	31.5	Very low	99 Å²	99	103.9 Å²	103.9	51%	0.508	54%	0.541	S	S	.	.	H	α-helix	trans	-65.2	-38.5	168.7	-71.8	166.7	0	0	0	110.5	K857 L864 I865	K857-I861 WeakPolarHBondContact O-CB 3.34Å; K857-I861 VanDerWaalsContact O-CG1 3.27Å; K857-I861 WeakPolarHBondContact O-CG1 3.42Å; K857-I861 PolarHBondContact O-N 2.7Å; I861-L864 CarbonylContact O-C 3.55Å; I861-L864 WeakPolarHBondContact O-CB 3.43Å; I861-L864 PolarHBondContact O-N 3.15Å; I861-I865 HydrophobicContact CG2-CD1 3.72Å; I861-I865 HydrophobicContact CG2-CG1 4.35Å; I861-I865 WeakPolarHBondContact O-CB 3.23Å; I861-I865 VanDerWaalsContact O-CG1 3.3Å; I861-I865 WeakPolarHBondContact O-CG1 3.13Å; I861-I865 PolarHBondContact O-N 3.09Å
862	S	30.9	Very low	31.1	Very low	54 Å²	54	105.4 Å²	105.4	38%	0.378	55%	0.545	S	S	.	.	H	α-helix	trans	-64.2	-39	172.5	-173.1	0	0	0	0	112.4	G858 T859 K860 I865 K866	G858-S862 VanDerWaalsContact O-CB 3.31Å; G858-S862 WeakPolarHBondContact O-CB 3.42Å; G858-S862 PolarHBondContact O-N 2.79Å; T859-S862 CarbonylContact O-C 3.53Å; T859-S862 WeakPolarHBondContact O-CB 3.41Å; T859-S862 PolarHBondContact O-N 3.36Å; K860-S862 VanDerWaalsContact C-N 3.35Å; S862-I865 PolarHBondContact O-N 3.09Å; S862-K866 WeakPolarHBondContact O-CB 3.21Å; S862-K866 WeakPolarHBondContact O-CG 3.4Å; S862-K866 PolarHBondContact O-N 3.07Å
863	K	30.8	Very low	30.9	Very low	141 Å²	141	104.7 Å²	104.7	61%	0.613	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-38.8	171.2	-81.6	-175.9	173	-178.7	0	111.5	T859 K860 T867	T859-K863 WeakPolarHBondContact O-CB 3.29Å; T859-K863 PolarHBondContact O-N 3.03Å; K860-K863 PolarHBondContact O-N 2.91Å; K863-T867 PolarHBondContact O-N 2.79Å; K863-T867 VanDerWaalsContact O-N 3.16Å; K863-T867 PolarHBondContact O-OG1 3.1Å
864	L	29.6	Very low	30.7	Very low	109 Å²	109	106.9 Å²	106.9	57%	0.571	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-45.2	171.4	-101.9	74.3	0	0	0	112	K860 I861 T867 F868	K860-L864 WeakPolarHBondContact O-CD1 3.12Å; K860-L864 PolarHBondContact O-N 2.91Å; I861-L864 CarbonylContact O-C 3.55Å; I861-L864 WeakPolarHBondContact O-CB 3.43Å; I861-L864 PolarHBondContact O-N 3.15Å; L864-T867 CarbonylContact O-C 3.54Å; L864-T867 WeakPolarHBondContact O-CA 3.05Å; L864-T867 WeakPolarHBondContact O-CB 3.37Å; L864-T867 PolarHBondContact O-N 3.14Å; L864-F868 WeakPolarHBondContact O-CB 3.35Å; L864-F868 PolarHBondContact O-N 2.89Å
865	I	31.9	Very low	30.6	Very low	94 Å²	94	107.3 Å²	107.3	48%	0.482	56%	0.558	S	S	.	*	H	α-helix	trans	-65.5	-41.6	178.7	-70.1	168.4	0	0	0	110.9	I861 S862 T867 F868 N869	I861-I865 HydrophobicContact CG2-CD1 3.72Å; I861-I865 HydrophobicContact CG2-CG1 4.35Å; I861-I865 WeakPolarHBondContact O-CB 3.23Å; I861-I865 VanDerWaalsContact O-CG1 3.3Å; I861-I865 WeakPolarHBondContact O-CG1 3.13Å; I861-I865 PolarHBondContact O-N 3.09Å; S862-I865 PolarHBondContact O-N 3.09Å; I865-T867 PolarHBondContact O-N 3.18Å; I865-T867 VanDerWaalsContact O-N 3.11Å; I865-F868 PolarHBondContact O-N 2.86Å; I865-F868 VanDerWaalsContact O-N 3.11Å; I865-N869 PolarHBondContact O-N 2.72Å
866	K	29.7	Very low	30.3	Very low	177 Å²	177	106.3 Å²	106.3	77%	0.77	57%	0.565	S	S	*	*	H	α-helix	trans	-60.8	-13.7	168.4	-76.1	-172	-178.8	-165.5	0	113.8	S862	S862-K866 WeakPolarHBondContact O-CB 3.21Å; S862-K866 WeakPolarHBondContact O-CG 3.4Å; S862-K866 PolarHBondContact O-N 3.07Å
867	T	29.8	Very low	30.3	Very low	113 Å²	113	107.5 Å²	107.5	69%	0.693	57%	0.57	S	S	*	*	H	α-helix	trans	-101.7	-23.8	174.7	-50	0	0	0	0	112.6	K863 L864 I865	K863-T867 PolarHBondContact O-N 2.79Å; K863-T867 VanDerWaalsContact O-N 3.16Å; K863-T867 PolarHBondContact O-OG1 3.1Å; L864-T867 CarbonylContact O-C 3.54Å; L864-T867 WeakPolarHBondContact O-CA 3.05Å; L864-T867 WeakPolarHBondContact O-CB 3.37Å; L864-T867 PolarHBondContact O-N 3.14Å; I865-T867 PolarHBondContact O-N 3.18Å; I865-T867 VanDerWaalsContact O-N 3.11Å
868	F	26.5	Very low	30.2	Very low	128 Å²	128	103.7 Å²	103.7	56%	0.561	56%	0.56	S	S	*	*	H	α-helix	trans	-114.4	-9.1	-171.1	-95	-82.7	0	0	0	116.5	L864 I865	L864-F868 WeakPolarHBondContact O-CB 3.35Å; L864-F868 PolarHBondContact O-N 2.89Å; I865-F868 PolarHBondContact O-N 2.86Å; I865-F868 VanDerWaalsContact O-N 3.11Å
869	N	27.2	Very low	30.2	Very low	104 Å²	104	106.5 Å²	106.5	56%	0.556	56%	0.564	S	S	*	*			trans	-133.1	95.2	171.9	-106.2	-12.7	0	0	0	112.4	I865	I865-N869 PolarHBondContact O-N 2.72Å
870	T	28.6	Very low	30.3	Very low	124 Å²	124	108.3 Å²	108.3	76%	0.761	57%	0.57	S	S	*	*	S	Bend	trans	-74.6	127.6	146.2	51.3	0	0	0	0	108.2
871	N	27.4	Very low	30.3	Very low	151 Å²	151	106.9 Å²	106.9	81%	0.807	57%	0.567	S	S	*	*	S	Bend	trans	82.2	80.5	176.7	-46.1	-8.8	0	0	0	115.9
872	L	28.2	Very low	30.3	Very low	138 Å²	138	107.2 Å²	107.2	72%	0.723	57%	0.569	S	S	*	*	S	Bend	trans	-161.1	142.5	143.5	-106.8	163.6	0	0	0	108.1	N874	L872-N874 PolarHBondContact O-N 2.81Å
873	N	28	Very low	30.5	Very low	97 Å²	97	112.6 Å²	112.6	52%	0.519	58%	0.581	S	S	.	*			trans	-71.4	129.4	-162.4	-64	4.5	0	0	0	112.3	D38 D875	D38-N873 PolarHBondContact OD1-ND2 3Å; N873-D875 VanDerWaalsContact C-N 3.33Å; N873-D875 PolarHBondContact O-N 2.84Å
874	N	28.4	Very low	30.7	Very low	127 Å²	127	111.5 Å²	111.5	68%	0.679	58%	0.578	S	S	*	*	S	Bend	trans	-73.7	-20.2	-172.2	-82.7	-58.6	0	0	0	114.1	L872 S876 L877 A878	L872-N874 PolarHBondContact O-N 2.81Å; N874-S876 PolarHBondContact O-N 3.05Å; N874-L877 PolarHBondContact O-N 3.34Å; N874-A878 PolarHBondContact O-N 3.47Å
875	D	30.6	Very low	30.8	Very low	80 Å²	80	112.5 Å²	112.5	43%	0.428	58%	0.578	S	S	.	*	H	α-helix	trans	-73.5	-32.1	-158.6	-130.4	61.8	0	0	0	114.8	N873 L877 A878 Q879	N873-D875 VanDerWaalsContact C-N 3.33Å; N873-D875 PolarHBondContact O-N 2.84Å; D875-L877 VanDerWaalsContact C-N 3.29Å; D875-L877 PolarHBondContact O-N 3.45Å; D875-A878 PolarHBondContact O-N 2.99Å; D875-Q879 PolarHBondContact O-N 3.45Å
876	S	30.7	Very low	30.8	Very low	97 Å²	97	116.4 Å²	116.4	68%	0.678	59%	0.592	S	S	*	*	H	α-helix	trans	-62	-36.6	170.4	-74.8	0	0	0	0	112.2	N874 I880	N874-S876 PolarHBondContact O-N 3.05Å; S876-I880 WeakPolarHBondContact O-CD1 3.37Å; S876-I880 VanDerWaalsContact O-CG1 3.31Å; S876-I880 WeakPolarHBondContact O-CG1 3.46Å; S876-I880 PolarHBondContact O-N 2.82Å
877	L	32.8	Very low	30.9	Very low	99 Å²	99	113 Å²	113	52%	0.518	58%	0.582	S	S	.	*	H	α-helix	trans	-77.7	-38.6	177.9	-165.8	67.2	0	0	0	111.3	N874 D875 Q879 I880 I881	N874-L877 PolarHBondContact O-N 3.34Å; D875-L877 VanDerWaalsContact C-N 3.29Å; D875-L877 PolarHBondContact O-N 3.45Å; L877-Q879 PolarHBondContact O-N 2.91Å; L877-I880 PolarHBondContact O-N 2.88Å; L877-I881 HydrophobicContact CG-CD1 4.15Å; L877-I881 WeakPolarHBondContact O-CG1 3.11Å; L877-I881 PolarHBondContact O-N 3.15Å
878	A	31.2	Very low	30.9	Very low	35 Å²	35	111.8 Å²	111.8	29%	0.289	58%	0.578	S	S	.	*	H	α-helix	trans	-59.2	-44.8	173.5	0	0	0	0	0	111.6	N874 D875 I880 I881 L882	N874-A878 PolarHBondContact O-N 3.47Å; D875-A878 PolarHBondContact O-N 2.99Å; A878-I880 PolarHBondContact O-N 2.76Å; A878-I881 PolarHBondContact O-N 2.64Å; A878-L882 VanDerWaalsContact O-CB 3.28Å; A878-L882 WeakPolarHBondContact O-CB 3.38Å; A878-L882 VanDerWaalsContact O-CG 3.3Å; A878-L882 WeakPolarHBondContact O-CG 3.46Å; A878-L882 PolarHBondContact O-N 2.9Å
879	Q	32.4	Very low	31	Very low	96 Å²	96	114.7 Å²	114.7	45%	0.449	59%	0.59	S	S	.	*	H	α-helix	trans	-65.3	-35.9	176.1	-76.4	-152	30.6	0	0	113.7	D875 L877 L882 R883	D875-Q879 PolarHBondContact O-N 3.45Å; L877-Q879 PolarHBondContact O-N 2.91Å; Q879-L882 PolarHBondContact O-N 2.62Å; Q879-R883 WeakPolarHBondContact O-CB 3.47Å; Q879-R883 VanDerWaalsContact O-CG 3.26Å; Q879-R883 WeakPolarHBondContact O-CG 3.38Å; Q879-R883 PolarHBondContact O-N 3.18Å; Q879-R883 VanDerWaalsContact OE1-NH2 3.15Å
880	I	34.4	Very low	31.2	Very low	95 Å²	95	119.6 Å²	119.6	49%	0.487	60%	0.601	S	S	.	*	H	α-helix	trans	-64.3	-47	175	-70.1	166	0	0	0	110.1	S876 L877 A878 L882 R883 H884	S876-I880 WeakPolarHBondContact O-CD1 3.37Å; S876-I880 VanDerWaalsContact O-CG1 3.31Å; S876-I880 WeakPolarHBondContact O-CG1 3.46Å; S876-I880 PolarHBondContact O-N 2.82Å; L877-I880 PolarHBondContact O-N 2.88Å; A878-I880 PolarHBondContact O-N 2.76Å; I880-L882 PolarHBondContact O-N 3.45Å; I880-R883 PolarHBondContact O-N 3.3Å; I880-H884 PolarHBondContact O-CD2 3.09Å; I880-H884 PolarHBondContact O-N 3.18Å; I880-H884 VanDerWaalsContact O-N 3.11Å
881	I	33.8	Very low	31.1	Very low	87 Å²	87	123.2 Å²	123.2	45%	0.446	61%	0.606	S	S	.	*	H	α-helix	trans	-65.2	-37.8	177.8	-66.6	168.4	0	0	0	111.4	L877 A878 H884 K885	L877-I881 HydrophobicContact CG-CD1 4.15Å; L877-I881 WeakPolarHBondContact O-CG1 3.11Å; L877-I881 PolarHBondContact O-N 3.15Å; A878-I881 PolarHBondContact O-N 2.64Å; I881-H884 PolarHBondContact O-N 3.38Å; I881-K885 WeakPolarHBondContact O-CB 3.32Å; I881-K885 PolarHBondContact O-N 3.3Å
882	L	33.3	Very low	30.9	Very low	105 Å²	105	126.5 Å²	126.5	55%	0.55	61%	0.607	S	S	.	*	H	α-helix	trans	-71.9	-33.5	177.4	-77.2	168.5	0	0	0	113.2	A878 Q879 I880 K886	A878-L882 VanDerWaalsContact O-CB 3.28Å; A878-L882 WeakPolarHBondContact O-CB 3.38Å; A878-L882 VanDerWaalsContact O-CG 3.3Å; A878-L882 WeakPolarHBondContact O-CG 3.46Å; A878-L882 PolarHBondContact O-N 2.9Å; Q879-L882 PolarHBondContact O-N 2.62Å; I880-L882 PolarHBondContact O-N 3.45Å; L882-K886 PolarHBondContact O-N 2.76Å; L882-K886 VanDerWaalsContact O-N 3.13Å
883	R	34.5	Very low	30.9	Very low	167 Å²	167	125.4 Å²	125.4	63%	0.63	61%	0.609	S	S	*	*	H	α-helix	trans	-62.9	-48.9	170.4	-74.4	173.8	-164.2	-159	6.8	110.3	Q879 I880 K885 K886 D887	Q879-R883 WeakPolarHBondContact O-CB 3.47Å; Q879-R883 VanDerWaalsContact O-CG 3.26Å; Q879-R883 WeakPolarHBondContact O-CG 3.38Å; Q879-R883 PolarHBondContact O-N 3.18Å; Q879-R883 VanDerWaalsContact OE1-NH2 3.15Å; I880-R883 PolarHBondContact O-N 3.3Å; R883-K885 PolarHBondContact O-N 2.52Å; R883-K886 WeakPolarHBondContact O-CB 3.35Å; R883-K886 PolarHBondContact O-N 2.9Å; R883-K886 VanDerWaalsContact O-N 3.08Å; R883-D887 PolarHBondContact O-N 3.01Å
884	H	36.3	Very low	31.3	Very low	119 Å²	119	128.9 Å²	128.9	55%	0.551	62%	0.619	S	S	*	*	H	α-helix	trans	-59.1	-46.8	174.2	-83.6	-74.6	0	0	0	112.8	I880 I881 K886 D887 S888	I880-H884 PolarHBondContact O-CD2 3.09Å; I880-H884 PolarHBondContact O-N 3.18Å; I880-H884 VanDerWaalsContact O-N 3.11Å; I881-H884 PolarHBondContact O-N 3.38Å; H884-K886 PolarHBondContact O-N 3.46Å; H884-K886 VanDerWaalsContact O-N 3.1Å; H884-D887 PolarHBondContact O-N 2.96Å; H884-S888 PolarHBondContact O-N 3.19Å; H884-S888 PolarHBondContact O-OG 3.32Å
885	K	31.1	Very low	31.5	Very low	129 Å²	129	131.6 Å²	131.6	56%	0.561	63%	0.625	S	S	*	*	H	α-helix	trans	-56.7	-26.4	174.9	-88.5	-177.2	173.5	177.1	0	113.7	I881 R883	I881-K885 WeakPolarHBondContact O-CB 3.32Å; I881-K885 PolarHBondContact O-N 3.3Å; R883-K885 PolarHBondContact O-N 2.52Å
886	K	31.6	Very low	32	Very low	176 Å²	176	134 Å²	134	77%	0.765	64%	0.638	S	S	*	*	H	α-helix	trans	-79.9	-38.7	179.6	-138.6	166.6	-170.6	169.6	0	112.3	L882 R883 H884	L882-K886 PolarHBondContact O-N 2.76Å; L882-K886 VanDerWaalsContact O-N 3.13Å; R883-K886 WeakPolarHBondContact O-CB 3.35Å; R883-K886 PolarHBondContact O-N 2.9Å; R883-K886 VanDerWaalsContact O-N 3.08Å; H884-K886 PolarHBondContact O-N 3.46Å; H884-K886 VanDerWaalsContact O-N 3.1Å
887	D	31.5	Very low	32.9	Very low	106 Å²	106	133.4 Å²	133.4	57%	0.567	63%	0.633	S	S	*	*	H	α-helix	trans	-78.3	-29.5	175.8	-79	-48.3	0	0	0	113.4	R883 H884 K889 R890	R883-D887 PolarHBondContact O-N 3.01Å; H884-D887 PolarHBondContact O-N 2.96Å; D887-K889 PolarHBondContact O-N 3.37Å; D887-R890 PolarHBondContact O-N 3.03Å
888	S	29.6	Very low	34.3	Very low	87 Å²	87	131.6 Å²	131.6	61%	0.608	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-18.3	174.3	-59.7	0	0	0	0	114.6	H884	H884-S888 PolarHBondContact O-N 3.19Å; H884-S888 PolarHBondContact O-OG 3.32Å
889	K	29.8	Very low	36.3	Very low	190 Å²	190	133 Å²	133	83%	0.826	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-2.7	175.9	-71.4	-173	176.2	179.6	0	114.4	D887 K891	D887-K889 PolarHBondContact O-N 3.37Å; K889-K891 PolarHBondContact O-N 3.32Å
890	R	30.9	Very low	38.7	Very low	206 Å²	206	133.3 Å²	133.3	78%	0.777	63%	0.629	S	S	*	*			trans	-95.4	61.5	173	-78.1	-178.8	164.1	173.6	-3.6	112.6	D887 R892	D887-R890 PolarHBondContact O-N 3.03Å; R890-R892 VanDerWaalsContact C-N 3.29Å; R890-R892 PolarHBondContact O-N 3.13Å
891	K	26.2	Very low	41.1	Very low	201 Å²	201	131 Å²	131	87%	0.874	62%	0.619	S	S	*	*			trans	-65	84.1	168.4	-75.2	-166.4	175.6	-172.3	0	111.6	K889	K889-K891 PolarHBondContact O-N 3.32Å
892	R	24.8	Very low	43.3	Very low	220 Å²	220	127.9 Å²	127.9	83%	0.83	61%	0.609	S	S	*	*			trans	-81	141.8	148.5	-69.4	-173.3	178.8	-171.1	0.9	107.8	R890 F894	R890-R892 VanDerWaalsContact C-N 3.29Å; R890-R892 PolarHBondContact O-N 3.13Å; R892-F894 PolarHBondContact O-N 2.78Å
893	P	28.3	Very low	45.6	Very low	115 Å²	115	125.7 Å²	125.7	75%	0.747	61%	0.611	S	S	*	*			trans	-67.4	124	172.5	27.9	-32.7	0	0	0	109.4	K895	P893-K895 PolarHBondContact O-N 3.06Å
894	F	34.6	Very low	48.4	Very low	170 Å²	170	119 Å²	119	75%	0.746	59%	0.588	S	S	*	*			trans	-65	103.9	167.1	-89.2	-81.9	0	0	0	108.4	H822 R892	H822-F894 AromaticContact CE1-CE1 3.66Å; H822-F894 AromaticContact CE1-CZ 3.68Å; H822-F894 AromaticContact NE2-CZ 3.72Å; R892-F894 PolarHBondContact O-N 2.78Å
895	K	32.6	Very low	51	Low	184 Å²	184	113.7 Å²	113.7	80%	0.8	56%	0.564	S	S	*	*			trans	-100.6	-7.1	-175.4	-144.6	-179.4	-179.9	-172.2	0	113.8	P893	P893-K895 PolarHBondContact O-N 3.06Å
896	D	41.2	Very low	53.8	Low	131 Å²	131	113.9 Å²	113.9	70%	0.701	57%	0.567	S	S	*	*			trans	-118.7	61.9	-174.6	-60	-60	0	0	0	111.4	T898	D896-T898 HydrophobicContact CB-CG2 4.22Å; D896-T898 PolarHBondContact O-N 3.44Å
897	S	49.3	Very low	56.3	Low	83 Å²	83	110.5 Å²	110.5	58%	0.58	55%	0.553	S	S	*	*			trans	-69.1	76.4	170.8	55.6	0	0	0	0	110.6	P823 I899	P823-S897 CarbonylContact O-C 3.44Å; P823-S897 WeakPolarHBondContact O-CA 3.25Å; S897-I899 PolarHBondContact O-N 2.93Å; S897-I899 VanDerWaalsContact O-N 3.1Å
898	T	62.5	Low	58.8	Low	62 Å²	62	112.3 Å²	112.3	38%	0.38	56%	0.558	S	S	.	*			trans	-89.2	71.2	-166.9	49.7	0	0	0	0	112.9	R799 P823 L825 D896 F900	R799-T898 PolarHBondContact NH1-O 2.94Å; P823-T898 PolarHBondContact O-N 3.04Å; L825-T898 VanDerWaalsContact O-O 3.05Å; D896-T898 HydrophobicContact CB-CG2 4.22Å; D896-T898 PolarHBondContact O-N 3.44Å; T898-F900 PolarHBondContact O-N 2.82Å
899	I	73.9	Confident	61.7	Low	64 Å²	64	112.6 Å²	112.6	33%	0.328	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	111.8	159	-54.4	176.2	0	0	0	107.7	L825 W841 T842 L845 S897 V901	L825-I899 HydrophobicContact CD2-CG2 4.03Å; W841-I899 HydrophobicContact CB-CD1 4.4Å; W841-I899 HydrophobicContact CB-CG2 4.35Å; T842-I899 HydrophobicContact CG2-CD1 4.36Å; L845-I899 HydrophobicContact CD1-CD1 3.57Å; L845-I899 HydrophobicContact CD1-CG1 4Å; S897-I899 PolarHBondContact O-N 2.93Å; S897-I899 VanDerWaalsContact O-N 3.1Å; I899-V901 HydrophobicContact CG2-CG2 4.41Å
900	F	83	Confident	64.7	Low	102 Å²	102	103.9 Å²	103.9	45%	0.447	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.2	171.3	-171.4	-82.6	0	0	0	110.1	L825 L826 I827 T898	L825-F900 PolarHBondContact O-N 3.46Å; L826-F900 WeakPolarHBondContact CA-O 3.48Å; L826-F900 HydrophobicContact CD1-CB 3.85Å; L826-F900 HydrophobicContact CD1-CD1 3.65Å; L826-F900 HydrophobicContact CD1-CG 4.06Å; I827-F900 PolarHBondContact N-O 3.34Å; T898-F900 PolarHBondContact O-N 2.82Å
901	V	84.5	Confident	67.4	Low	47 Å²	47	100.4 Å²	100.4	29%	0.285	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114	166.4	176	0	0	0	0	106.5	L825 I827 V836 I899	L825-V901 HydrophobicContact CD2-CG2 3.92Å; I827-V901 HydrophobicContact CB-CG2 4.38Å; V836-V901 HydrophobicContact CB-CG1 4.4Å; V836-V901 HydrophobicContact CG1-CG1 3.53Å; V836-V901 HydrophobicContact CG1-CG2 4.13Å; I899-V901 HydrophobicContact CG2-CG2 4.41Å
902	G	80	Confident	70.2	Confident	22 Å²	22	94.2 Å²	94.2	23%	0.227	50%	0.495	C	S	.	.			trans	177.7	158.4	-176	0	0	0	0	0	111.6	I827 T828 N904	I827-G902 PolarHBondContact O-N 2.73Å; T828-G902 WeakPolarHBondContact CA-O 3.31Å; T828-G902 VanDerWaalsContact CB-O 3.29Å; T828-G902 WeakPolarHBondContact CB-O 3.19Å; T828-G902 PolarHBondContact OG1-O 2.71Å; T828-G902 VanDerWaalsContact OG1-O 3.07Å; G902-N904 PolarHBondContact O-N 2.86Å
903	G	82.2	Confident	73.2	Confident	58 Å²	58	90.9 Å²	90.9	60%	0.598	48%	0.482	S	S	*	.	S	Bend	trans	69.4	22.3	-173	0	0	0	0	0	114.1	G829 N830	G829-G903 VanDerWaalsContact CA-O 3.29Å; G829-G903 WeakPolarHBondContact CA-O 3.42Å; G829-G903 PolarHBondContact N-O 3.35Å; N830-G903 PolarHBondContact N-O 2.69Å
904	N	93.5	Very high	76	Confident	26 Å²	26	88 Å²	88	14%	0.139	47%	0.473	C	S	.	.	S	Bend	trans	-100.5	-167.6	171.3	-54.3	-54.8	0	0	0	109.7	I827 N830 L833 G902 H906	I827-N904 PolarHBondContact O-ND2 3.4Å; N830-N904 WeakPolarHBondContact CB-OD1 3.35Å; N830-N904 PolarHBondContact N-OD1 2.83Å; N830-N904 PolarHBondContact ND2-OD1 2.83Å; N830-N904 WeakPolarHBondContact O-CA 2.96Å; L833-N904 HydrophobicContact CB-CB 4.36Å; G902-N904 PolarHBondContact O-N 2.86Å; N904-H906 PolarHBondContact O-N 3.19Å
905	A	90.9	Very high	78.7	Confident	8 Å²	8	80.8 Å²	80.8	7%	0.066	45%	0.445	C	S	.	.			trans	-67.3	133.5	175.3	0	0	0	0	0	111.1	N830 L833 F909	N830-A905 PolarHBondContact O-N 3.44Å; L833-A905 WeakPolarHBondContact O-CB 3.49Å; L833-A905 PolarHBondContact O-N 2.86Å; A905-F909 HydrophobicContact CB-CD1 3.98Å; A905-F909 HydrophobicContact CB-CE1 4.3Å
906	H	88.3	Confident	81.5	Confident	134 Å²	134	75.7 Å²	75.7	62%	0.62	43%	0.429	S	S	*	.			trans	-69	140.9	-177.7	-167.7	-112.6	0	0	0	111.7	N904 E908 F909 C910	N904-H906 PolarHBondContact O-N 3.19Å; H906-E908 VanDerWaalsContact C-N 3.26Å; H906-E908 PolarHBondContact O-N 3.31Å; H906-E908 VanDerWaalsContact O-N 3.09Å; H906-F909 WeakPolarHBondContact O-CA 3.29Å; H906-F909 WeakPolarHBondContact O-CB 3.37Å; H906-F909 PolarHBondContact O-N 2.83Å; H906-C910 PolarHBondContact O-N 3.48Å; H906-C910 VanDerWaalsContact O-N 3.14Å
907	F	83.9	Confident	83.9	Confident	105 Å²	105	71.3 Å²	71.3	46%	0.461	41%	0.408	S	S	.	.	H	α-helix	trans	-45.6	-44.3	-179.4	173	-100.9	0	0	0	114.2	F909 C910 K911	F907-F909 PolarHBondContact O-N 2.84Å; F907-C910 PolarHBondContact O-N 2.86Å; F907-K911 HydrophobicContact CE1-CD 4.12Å; F907-K911 HydrophobicContact CZ-CD 4.22Å; F907-K911 WeakPolarHBondContact O-CB 3.4Å; F907-K911 PolarHBondContact O-N 2.04Å
908	E	85.2	Confident	86	Confident	144 Å²	144	69.7 Å²	69.7	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-33.5	178.6	-66.7	-158.4	136.3	0	0	113.8	H906 G912	H906-E908 VanDerWaalsContact C-N 3.26Å; H906-E908 PolarHBondContact O-N 3.31Å; H906-E908 VanDerWaalsContact O-N 3.09Å; E908-G912 PolarHBondContact O-N 3.25Å
909	F	91	Very high	87.3	Confident	93 Å²	93	75.2 Å²	75.2	41%	0.408	41%	0.414	S	S	.	.	H	α-helix	trans	-68.7	-40.6	175.2	170.4	-89.4	0	0	0	111	A905 H906 F907 G912 R913	A905-F909 HydrophobicContact CB-CD1 3.98Å; A905-F909 HydrophobicContact CB-CE1 4.3Å; H906-F909 WeakPolarHBondContact O-CA 3.29Å; H906-F909 WeakPolarHBondContact O-CB 3.37Å; H906-F909 PolarHBondContact O-N 2.83Å; F907-F909 PolarHBondContact O-N 2.84Å; F909-G912 PolarHBondContact O-N 2.98Å; F909-R913 VanDerWaalsContact CZ-CZ 3.46Å; F909-R913 PolarHBondContact O-N 2.94Å; F909-R913 VanDerWaalsContact O-N 3.14Å
910	C	92.6	Very high	88.1	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.041	41%	0.405	C	S	.	.	H	α-helix	trans	-61.9	-51.4	173.1	-63.5	0	0	0	0	111	C834 H906 F907 G912 R913 G914 A915	C834-C910 WeakPolarHBondContact CA-SG 3.35Å; C834-C910 HydrophobicContact CB-CB 3.75Å; C834-C910 WeakPolarHBondContact CB-SG 3.49Å; C834-C910 VanDerWaalsContact SG-CA 3.55Å; C834-C910 WeakPolarHBondContact SG-CB 3.48Å; C834-C910 CovalentContact SG-SG 2.03Å; C834-C910 PolarHBondContact SG-SG 2.82Å; H906-C910 PolarHBondContact O-N 3.48Å; H906-C910 VanDerWaalsContact O-N 3.14Å; F907-C910 PolarHBondContact O-N 2.86Å; C910-G912 VanDerWaalsContact C-N 3.33Å; C910-G912 PolarHBondContact O-N 3.39Å; C910-R913 CarbonylContact O-C 3.14Å; C910-R913 PolarHBondContact O-N 3.23Å; C910-G914 PolarHBondContact O-N 3.06Å; C910-A915 HydrophobicContact CB-CB 4.13Å; C910-A915 WeakPolarHBondContact O-CB 2.96Å; C910-A915 PolarHBondContact O-N 3.46Å
911	K	87	Confident	88.4	Confident	133 Å²	133	68.8 Å²	68.8	58%	0.578	39%	0.386	S	S	*	.	H	α-helix	trans	-59.1	-41.3	176.9	-171.5	176.4	-179.7	180	0	112.4	F907 R913 G914 V916	F907-K911 HydrophobicContact CE1-CD 4.12Å; F907-K911 HydrophobicContact CZ-CD 4.22Å; F907-K911 WeakPolarHBondContact O-CB 3.4Å; F907-K911 PolarHBondContact O-N 2.04Å; K911-R913 PolarHBondContact O-N 3.25Å; K911-G914 PolarHBondContact O-N 3.22Å; K911-V916 HydrophobicContact CG-CG1 4.47Å
912	G	84.2	Confident	88.5	Confident	71 Å²	71	70.4 Å²	70.4	73%	0.732	39%	0.39	S	S	*	.	H	α-helix	trans	-66	-19.8	175.8	0	0	0	0	0	114.6	E908 F909 C910	E908-G912 PolarHBondContact O-N 3.25Å; F909-G912 PolarHBondContact O-N 2.98Å; C910-G912 VanDerWaalsContact C-N 3.33Å; C910-G912 PolarHBondContact O-N 3.39Å
913	R	89.2	Confident	88.3	Confident	151 Å²	151	74.6 Å²	74.6	57%	0.57	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.3	170.5	-77.3	-177.5	161.8	-157.9	-5.3	114.1	F909 C910 K911 A915	F909-R913 VanDerWaalsContact CZ-CZ 3.46Å; F909-R913 PolarHBondContact O-N 2.94Å; F909-R913 VanDerWaalsContact O-N 3.14Å; C910-R913 CarbonylContact O-C 3.14Å; C910-R913 PolarHBondContact O-N 3.23Å; K911-R913 PolarHBondContact O-N 3.25Å; R913-A915 PolarHBondContact O-N 2.86Å
914	G	86.7	Confident	88	Confident	54 Å²	54	80.4 Å²	80.4	56%	0.557	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	15.8	-170.5	0	0	0	0	0	113.8	C910 K911 V916	C910-G914 PolarHBondContact O-N 3.06Å; K911-G914 PolarHBondContact O-N 3.22Å; G914-V916 VanDerWaalsContact C-N 3.27Å; G914-V916 PolarHBondContact O-N 2.91Å
915	A	91.4	Very high	87.4	Confident	18 Å²	18	80.2 Å²	80.2	15%	0.149	43%	0.425	C	S	.	.			trans	-79	77.5	176.2	0	0	0	0	0	110.2	C834 Y835 C910 R913	C834-A915 HydrophobicContact CB-CB 4.07Å; Y835-A915 HydrophobicContact CE1-CB 4.34Å; Y835-A915 HydrophobicContact CE2-CB 4.12Å; Y835-A915 VanDerWaalsContact OH-CA 3.27Å; Y835-A915 WeakPolarHBondContact OH-CA 3.01Å; Y835-A915 WeakPolarHBondContact OH-CB 3.46Å; C910-A915 HydrophobicContact CB-CB 4.13Å; C910-A915 WeakPolarHBondContact O-CB 2.96Å; C910-A915 PolarHBondContact O-N 3.46Å; R913-A915 PolarHBondContact O-N 2.86Å
916	V	91.3	Very high	87.2	Confident	78 Å²	78	80.1 Å²	80.1	47%	0.473	43%	0.426	S	S	.	.			trans	-132.7	163.3	-179.7	-62.5	0	0	0	0	110.5	K911 G914	K911-V916 HydrophobicContact CG-CG1 4.47Å; G914-V916 VanDerWaalsContact C-N 3.27Å; G914-V916 PolarHBondContact O-N 2.91Å
917	C	91.6	Very high	87.4	Confident	39 Å²	39	73.8 Å²	73.8	26%	0.264	40%	0.396	S	S	.	.			trans	-68.1	155.2	178.7	-57.5	0	0	0	0	112.8	C921 C927	C917-C921 HydrophobicContact CB-CB 4.18Å; C917-C927 WeakPolarHBondContact CA-SG 3.18Å; C917-C927 HydrophobicContact CB-CB 3.79Å; C917-C927 WeakPolarHBondContact CB-SG 3.4Å; C917-C927 WeakPolarHBondContact SG-CB 3.15Å; C917-C927 PolarHBondContact SG-N 2.84Å; C917-C927 VanDerWaalsContact SG-N 3.38Å; C917-C927 CovalentContact SG-SG 2.04Å; C917-C927 PolarHBondContact SG-SG 2.7Å
918	D	93	Very high	87.8	Confident	49 Å²	49	69.1 Å²	69.1	26%	0.262	38%	0.375	S	S	.	.			trans	-65.5	149.8	175.9	-163.8	-67.5	0	0	0	111.5	L920 C921 G931 R932	D918-L920 PolarHBondContact O-N 3.41Å; D918-L920 WeakPolarHBondContact OD1-CB 3.35Å; D918-L920 PolarHBondContact OD1-N 2.99Å; D918-C921 VanDerWaalsContact O-CB 3.25Å; D918-C921 WeakPolarHBondContact O-CB 3.44Å; D918-C921 PolarHBondContact O-N 3.03Å; D918-G931 WeakPolarHBondContact OD2-CA 3.47Å; D918-R932 HydrophobicContact CB-CB 4.33Å; D918-R932 VanDerWaalsContact CG-N 3.31Å; D918-R932 WeakPolarHBondContact OD2-CB 3.48Å; D918-R932 PolarHBondContact OD2-N 3.41Å
919	E	90.4	Very high	88.2	Confident	177 Å²	177	62.2 Å²	62.2	83%	0.827	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.6	179.2	-60.6	-172.7	177.3	0	0	113.2	K939	E919-K939 WeakPolarHBondContact O-CD 3.45Å
920	L	90.6	Very high	88.2	Confident	26 Å²	26	60.4 Å²	60.4	14%	0.136	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.7	170	-63.7	172.9	0	0	0	113.5	D918 R932 K939 Y940 C953 E955	D918-L920 PolarHBondContact O-N 3.41Å; D918-L920 WeakPolarHBondContact OD1-CB 3.35Å; D918-L920 PolarHBondContact OD1-N 2.99Å; L920-R932 HydrophobicContact CB-CB 4.34Å; L920-R932 HydrophobicContact CD1-CB 4.2Å; L920-K939 VanDerWaalsContact O-CB 3.3Å; L920-K939 WeakPolarHBondContact O-CB 3.48Å; L920-K939 PolarHBondContact O-N 2.85Å; L920-Y940 HydrophobicContact CD2-CD2 3.87Å; L920-Y940 HydrophobicContact CD2-CE2 3.75Å; L920-C953 HydrophobicContact CB-CB 3.99Å; L920-E955 HydrophobicContact CD2-CB 4.48Å
921	C	89.9	Confident	88	Confident	6 Å²	6	61 Å²	61	4%	0.041	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-77.6	147.4	168.8	-57.4	0	0	0	0	111	C917 D918 P923 C935	C917-C921 HydrophobicContact CB-CB 4.18Å; D918-C921 VanDerWaalsContact O-CB 3.25Å; D918-C921 WeakPolarHBondContact O-CB 3.44Å; D918-C921 PolarHBondContact O-N 3.03Å; C921-P923 WeakPolarHBondContact O-CD 3.42Å; C921-C935 WeakPolarHBondContact CA-SG 3.41Å; C921-C935 HydrophobicContact CB-CB 3.65Å; C921-C935 WeakPolarHBondContact CB-SG 3.15Å; C921-C935 PolarHBondContact N-SG 3.2Å; C921-C935 VanDerWaalsContact SG-CA 3.51Å; C921-C935 WeakPolarHBondContact SG-CB 3.21Å; C921-C935 CovalentContact SG-SG 2.03Å; C921-C935 PolarHBondContact SG-SG 3.24Å
922	Q	85.7	Confident	88.1	Confident	81 Å²	81	60.9 Å²	60.9	38%	0.379	34%	0.344	S	S	.	.			trans	-71.4	120.4	174.6	-171.9	168.1	-1.3	0	0	110.1	H924 S925 L937	Q922-H924 PolarHBondContact O-N 3.49Å; Q922-S925 PolarHBondContact O-N 3.33Å; Q922-L937 HydrophobicContact CB-CB 3.99Å; Q922-L937 WeakPolarHBondContact CB-O 3.31Å; Q922-L937 PolarHBondContact N-O 2.83Å
923	P	76.1	Confident	88.3	Confident	110 Å²	110	61.2 Å²	61.2	71%	0.714	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.8	-165.6	-29.2	36.4	0	0	0	117.5	C921	C921-P923 WeakPolarHBondContact O-CD 3.42Å
924	H	76.1	Confident	88.4	Confident	179 Å²	179	55.1 Å²	55.1	83%	0.829	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	1.2	179.9	-60	-48.2	0	0	0	113.5	Q922	Q922-H924 PolarHBondContact O-N 3.49Å
925	S	79.4	Confident	88.5	Confident	22 Å²	22	52.8 Å²	52.8	15%	0.154	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-20.5	-175.1	-49.2	0	0	0	0	113	Q922 T936 L937	Q922-S925 PolarHBondContact O-N 3.33Å; S925-T936 WeakPolarHBondContact CB-OG1 3.35Å; S925-T936 PolarHBondContact O-OG1 3.38Å; S925-L937 WeakPolarHBondContact OG-CD1 3.03Å
926	G	87.8	Confident	88.3	Confident	7 Å²	7	53.3 Å²	53.3	7%	0.072	28%	0.28	C	S	.	.			trans	79.3	-164.7	177.3	0	0	0	0	0	115.3	T838 T936	T838-G926 VanDerWaalsContact O-CA 3.31Å; T838-G926 WeakPolarHBondContact O-CA 3.45Å; G926-T936 PolarHBondContact O-N 2.93Å; G926-T936 PolarHBondContact O-OG1 3.11Å; G926-T936 VanDerWaalsContact O-OG1 3.11Å
927	C	92.5	Very high	88	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-155.9	152.6	179.5	62.3	0	0	0	0	112	T838 C917 G929 F934	T838-C927 PolarHBondContact OG1-N 2.95Å; T838-C927 VanDerWaalsContact OG1-N 3.07Å; T838-C927 PolarHBondContact OG1-O 2.83Å; T838-C927 VanDerWaalsContact OG1-O 3.13Å; C917-C927 WeakPolarHBondContact CA-SG 3.18Å; C917-C927 HydrophobicContact CB-CB 3.79Å; C917-C927 WeakPolarHBondContact CB-SG 3.4Å; C917-C927 WeakPolarHBondContact SG-CB 3.15Å; C917-C927 PolarHBondContact SG-N 2.84Å; C917-C927 VanDerWaalsContact SG-N 3.38Å; C917-C927 CovalentContact SG-SG 2.04Å; C917-C927 PolarHBondContact SG-SG 2.7Å; C927-G929 VanDerWaalsContact C-N 3.34Å; C927-F934 CarbonylContact C-O 3.6Å; C927-F934 WeakPolarHBondContact CA-O 3.34Å; C927-F934 WeakPolarHBondContact CB-O 3.42Å
928	W	92.6	Very high	87.8	Confident	7 Å²	7	50 Å²	50	3%	0.027	26%	0.258	C	S	.	.	S	Bend	trans	-83.5	-5.9	178.6	-65.4	106.8	0	0	0	113.9	L812 G813 M814 L817 I839 W841 L844 F934	L812-W928 HydrophobicContact CB-CE3 4.12Å; L812-W928 HydrophobicContact CD1-CE3 4.16Å; L812-W928 HydrophobicContact CD1-CZ3 3.94Å; L812-W928 PolarHBondContact N-O 2.8Å; G813-W928 PolarHBondContact N-O 2.61Å; M814-W928 HydrophobicContact CB-CE3 4.38Å; M814-W928 PolarHBondContact O-NE1 2.78Å; L817-W928 HydrophobicContact CB-CH2 4.42Å; L817-W928 HydrophobicContact CB-CZ2 4.08Å; L817-W928 HydrophobicContact CD2-CH2 3.91Å; L817-W928 HydrophobicContact CD2-CZ2 4.38Å; I839-W928 HydrophobicContact CD1-CD2 3.68Å; I839-W928 HydrophobicContact CD1-CE3 3.8Å; I839-W928 HydrophobicContact CD1-CG 4.17Å; I839-W928 HydrophobicContact CD1-CH2 4.22Å; I839-W928 HydrophobicContact CD1-CZ2 4.13Å; I839-W928 HydrophobicContact CD1-CZ3 4.07Å; I839-W928 HydrophobicContact CG1-CD2 4.39Å; I839-W928 HydrophobicContact CG1-CE3 3.99Å; I839-W928 HydrophobicContact CG1-CH2 4.3Å; I839-W928 HydrophobicContact CG1-CZ3 3.94Å; I839-W928 HydrophobicContact CG2-CH2 3.88Å; I839-W928 HydrophobicContact CG2-CZ2 4.31Å; I839-W928 HydrophobicContact CG2-CZ3 4.27Å; W841-W928 AromaticContact CH2-CH2 3.91Å; W841-W928 HydrophobicContact CH2-CH2 3.91Å; W841-W928 AromaticContact CH2-CZ3 3.64Å; W841-W928 HydrophobicContact CH2-CZ3 3.64Å; W841-W928 HydrophobicContact CZ2-CH2 4.48Å; W841-W928 HydrophobicContact CZ2-CZ3 4.05Å; W841-W928 HydrophobicContact CZ3-CH2 4.19Å; W841-W928 HydrophobicContact CZ3-CZ3 4.37Å; L844-W928 HydrophobicContact CD1-CH2 4.04Å; L844-W928 HydrophobicContact CD1-CZ2 4.3Å; W928-F934 HydrophobicContact CB-CB 4.39Å; W928-F934 PolarHBondContact N-O 3.02Å
929	G	93.2	Very high	87.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	169.6	-172.1	-172.7	0	0	0	0	0	114.5	C927 G931 F934	C927-G929 VanDerWaalsContact C-N 3.34Å; G929-G931 PolarHBondContact O-N 2.87Å; G929-F934 WeakPolarHBondContact O-CB 3.37Å
930	P	90	Very high	87.1	Confident	55 Å²	55	47.9 Å²	47.9	36%	0.357	24%	0.242	S	C	.	.	S	Bend	trans	-78.1	110.2	-173.5	27.3	-32.2	0	0	0	114.6	F811 Y835 Q933 F934	F811-P930 HydrophobicContact CD1-CG 4.26Å; F811-P930 HydrophobicContact CE1-CG 4.07Å; F811-P930 HydrophobicContact CZ-CG 4.34Å; Y835-P930 WeakPolarHBondContact OH-CB 3.21Å; P930-Q933 PolarHBondContact O-NE2 2.94Å; P930-F934 HydrophobicContact CG-CE2 4.42Å; P930-F934 VanDerWaalsContact O-CD2 3.24Å; P930-F934 WeakPolarHBondContact O-CD2 3.17Å; P930-F934 WeakPolarHBondContact O-CE2 3.2Å
931	G	89.3	Confident	86.9	Confident	18 Å²	18	48.5 Å²	48.5	19%	0.186	24%	0.242	C	C	.	.	S	Bend	trans	110.8	163.3	168.8	0	0	0	0	0	115.5	D918 G929 Q933 F934	D918-G931 WeakPolarHBondContact OD2-CA 3.47Å; G929-G931 PolarHBondContact O-N 2.87Å; G931-Q933 PolarHBondContact O-N 2.91Å; G931-F934 PolarHBondContact O-N 3.13Å
932	R	90.2	Very high	86.7	Confident	130 Å²	130	48.2 Å²	48.2	49%	0.491	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-10.8	-174.6	58.4	-173.6	173.6	-176.4	-3.3	117.8	D918 L920 C953	D918-R932 HydrophobicContact CB-CB 4.33Å; D918-R932 VanDerWaalsContact CG-N 3.31Å; D918-R932 WeakPolarHBondContact OD2-CB 3.48Å; D918-R932 PolarHBondContact OD2-N 3.41Å; L920-R932 HydrophobicContact CB-CB 4.34Å; L920-R932 HydrophobicContact CD1-CB 4.2Å; R932-C953 HydrophobicContact CB-CB 4.16Å; R932-C953 WeakPolarHBondContact O-CB 3.15Å; R932-C953 PolarHBondContact O-N 3.44Å; R932-C953 PolarHBondContact O-SG 3.45Å
933	Q	87.2	Confident	86.5	Confident	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.6	171.8	73.6	-73.9	-5.4	0	0	114.3	T815 P930 G931 R951 I952	T815-Q933 WeakPolarHBondContact CG2-O 3.45Å; P930-Q933 PolarHBondContact O-NE2 2.94Å; G931-Q933 PolarHBondContact O-N 2.91Å; Q933-R951 CarbonylContact C-O 3.56Å; Q933-R951 VanDerWaalsContact CA-O 3.32Å; Q933-R951 WeakPolarHBondContact CA-O 3.19Å; Q933-I952 HydrophobicContact CB-CG1 4.07Å
934	F	91.3	Very high	86.2	Confident	24 Å²	24	44.9 Å²	44.9	11%	0.105	22%	0.215	C	C	.	.	S	Bend	trans	-117.2	3.4	179.9	-60.6	-62.4	0	0	0	114.2	T780 F811 T815 C927 W928 G929 P930 G931	T780-F934 HydrophobicContact CG2-CE1 3.67Å; T780-F934 HydrophobicContact CG2-CZ 4.03Å; F811-F934 HydrophobicContact CE2-CE1 4.07Å; F811-F934 AromaticContact CE2-CE2 3.99Å; F811-F934 HydrophobicContact CE2-CE2 3.99Å; F811-F934 AromaticContact CE2-CZ 3.69Å; F811-F934 HydrophobicContact CE2-CZ 3.69Å; F811-F934 HydrophobicContact CZ-CE2 4.33Å; F811-F934 HydrophobicContact CZ-CZ 4.17Å; T815-F934 HydrophobicContact CG2-CD1 3.62Å; T815-F934 HydrophobicContact CG2-CE1 4.37Å; C927-F934 CarbonylContact C-O 3.6Å; C927-F934 WeakPolarHBondContact CA-O 3.34Å; C927-F934 WeakPolarHBondContact CB-O 3.42Å; W928-F934 HydrophobicContact CB-CB 4.39Å; W928-F934 PolarHBondContact N-O 3.02Å; G929-F934 WeakPolarHBondContact O-CB 3.37Å; P930-F934 HydrophobicContact CG-CE2 4.42Å; P930-F934 VanDerWaalsContact O-CD2 3.24Å; P930-F934 WeakPolarHBondContact O-CD2 3.17Å; P930-F934 WeakPolarHBondContact O-CE2 3.2Å; G931-F934 PolarHBondContact O-N 3.13Å
935	C	89.8	Confident	85.4	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.027	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-61.5	137.6	173.3	-50.5	0	0	0	0	110.6	C921 C953	C921-C935 WeakPolarHBondContact CA-SG 3.41Å; C921-C935 HydrophobicContact CB-CB 3.65Å; C921-C935 WeakPolarHBondContact CB-SG 3.15Å; C921-C935 PolarHBondContact N-SG 3.2Å; C921-C935 VanDerWaalsContact SG-CA 3.51Å; C921-C935 WeakPolarHBondContact SG-CB 3.21Å; C921-C935 CovalentContact SG-SG 2.03Å; C921-C935 PolarHBondContact SG-SG 3.24Å; C935-C953 VanDerWaalsContact CB-SG 3.54Å
936	T	86	Confident	84.1	Confident	30 Å²	30	44 Å²	44	18%	0.184	21%	0.214	C	C	.	.	S	Bend	trans	-64.4	-44.8	168.8	48.8	0	0	0	0	110.4	I839 S925 G926 R951	I839-T936 HydrophobicContact CD1-CG2 3.69Å; S925-T936 WeakPolarHBondContact CB-OG1 3.35Å; S925-T936 PolarHBondContact O-OG1 3.38Å; G926-T936 PolarHBondContact O-N 2.93Å; G926-T936 PolarHBondContact O-OG1 3.11Å; G926-T936 VanDerWaalsContact O-OG1 3.11Å; T936-R951 PolarHBondContact O-NH1 2.98Å
937	L	85.2	Confident	82	Confident	43 Å²	43	50 Å²	50	23%	0.225	24%	0.244	C	C	.	.	S	Bend	trans	-131.7	135	174	-76.6	161.7	0	0	0	110.3	Q922 S925 F1020 S1022	Q922-L937 HydrophobicContact CB-CB 3.99Å; Q922-L937 WeakPolarHBondContact CB-O 3.31Å; Q922-L937 PolarHBondContact N-O 2.83Å; S925-L937 WeakPolarHBondContact OG-CD1 3.03Å; L937-F1020 WeakPolarHBondContact CD2-O 3.32Å; L937-S1022 WeakPolarHBondContact CD2-OG 3.25Å
938	C	87.9	Confident	79.9	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.034	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-79.2	139.8	171.4	-54	0	0	0	0	111	Y940 W941 S942 C953 S1022	C938-Y940 VanDerWaalsContact C-N 3.3Å; C938-Y940 PolarHBondContact O-N 3.23Å; C938-W941 WeakPolarHBondContact CB-O 3.31Å; C938-S942 VanDerWaalsContact SG-CB 3.58Å; C938-C953 WeakPolarHBondContact CA-SG 3.05Å; C938-C953 HydrophobicContact CB-CB 3.5Å; C938-C953 WeakPolarHBondContact CB-SG 3.39Å; C938-C953 WeakPolarHBondContact SG-CA 3.46Å; C938-C953 WeakPolarHBondContact SG-CB 2.92Å; C938-C953 CovalentContact SG-SG 2.02Å; C938-C953 PolarHBondContact SG-SG 3Å; C938-S1022 PolarHBondContact N-OG 2.84Å
939	K	84	Confident	77.9	Confident	99 Å²	99	56 Å²	56	43%	0.43	29%	0.285	S	S	.	.	S	Bend	trans	-64.9	-29.1	178.6	-177.3	-171.9	174.4	-157.4	0	113.8	E919 L920	E919-K939 WeakPolarHBondContact O-CD 3.45Å; L920-K939 VanDerWaalsContact O-CB 3.3Å; L920-K939 WeakPolarHBondContact O-CB 3.48Å; L920-K939 PolarHBondContact O-N 2.85Å
940	Y	84.9	Confident	76.3	Confident	82 Å²	82	56.6 Å²	56.6	32%	0.322	29%	0.292	S	S	.	.	S	Bend	trans	-129.1	-93.3	178	-38.4	-74.5	0	0	0	110.8	L920 C938 E955	L920-Y940 HydrophobicContact CD2-CD2 3.87Å; L920-Y940 HydrophobicContact CD2-CE2 3.75Å; C938-Y940 VanDerWaalsContact C-N 3.3Å; C938-Y940 PolarHBondContact O-N 3.23Å; Y940-E955 HydrophobicContact CD2-CB 3.97Å; Y940-E955 HydrophobicContact CD2-CG 3.77Å; Y940-E955 HydrophobicContact CE2-CB 4.09Å; Y940-E955 HydrophobicContact CE2-CG 3.56Å; Y940-E955 WeakPolarHBondContact CE2-OE1 2.83Å; Y940-E955 PolarHBondContact OH-OE1 2.97Å
941	W	86.1	Confident	75.6	Confident	39 Å²	39	57.1 Å²	57.1	15%	0.148	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	163.4	-173.9	-63.7	92.1	0	0	0	112.3	C938 C953 M954 E955 T965 L968 A1023	C938-W941 WeakPolarHBondContact CB-O 3.31Å; W941-C953 WeakPolarHBondContact O-CA 3.44Å; W941-M954 HydrophobicContact CB-CG 4.24Å; W941-M954 PolarHBondContact N-O 2.72Å; W941-M954 PolarHBondContact O-N 3.25Å; W941-E955 VanDerWaalsContact CD1-O 3.27Å; W941-T965 HydrophobicContact CD2-CG2 4.23Å; W941-T965 HydrophobicContact CE3-CG2 4.32Å; W941-T965 HydrophobicContact CH2-CG2 3.4Å; W941-T965 HydrophobicContact CZ2-CG2 3.25Å; W941-T965 HydrophobicContact CZ3-CG2 3.94Å; W941-L968 HydrophobicContact CH2-CD1 4.06Å; W941-L968 HydrophobicContact CZ2-CD1 4.19Å; W941-A1023 CarbonylContact C-O 3.59Å; W941-A1023 VanDerWaalsContact CA-O 3.27Å; W941-A1023 WeakPolarHBondContact CA-O 3.15Å; W941-A1023 HydrophobicContact CD2-CB 3.89Å; W941-A1023 HydrophobicContact CE3-CB 3.41Å; W941-A1023 VanDerWaalsContact CE3-CB 3.41Å; W941-A1023 HydrophobicContact CH2-CB 3.93Å; W941-A1023 HydrophobicContact CZ2-CB 4.36Å; W941-A1023 HydrophobicContact CZ3-CB 3.44Å; W941-A1023 VanDerWaalsContact CZ3-CB 3.44Å
942	S	85.8	Confident	75.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.7	-177.8	64.5	0	0	0	0	113	C938 I952 S1022 A1023 Q1024 C1025	C938-S942 VanDerWaalsContact SG-CB 3.58Å; S942-I952 VanDerWaalsContact CA-O 3.31Å; S942-I952 WeakPolarHBondContact CA-O 3.44Å; S942-S1022 WeakPolarHBondContact OG-CB 3.13Å; S942-S1022 PolarHBondContact OG-O 3.31Å; S942-A1023 PolarHBondContact N-O 3.38Å; S942-A1023 PolarHBondContact OG-O 3.32Å; S942-Q1024 WeakPolarHBondContact O-CA 3.43Å; S942-C1025 PolarHBondContact O-N 2.79Å
943	I	81.6	Confident	75.3	Confident	10 Å²	10	52.6 Å²	52.6	5%	0.051	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.8	168.2	-77.5	177.1	0	0	0	108.9	R951 I952 M954 L960 F963 C1025	I943-R951 WeakPolarHBondContact O-CA 3.42Å; I943-I952 PolarHBondContact N-O 3.4Å; I943-I952 PolarHBondContact O-N 3.21Å; I943-M954 HydrophobicContact CD1-CE 3.62Å; I943-M954 HydrophobicContact CD1-SD 3.55Å; I943-M954 VanDerWaalsContact CD1-SD 3.55Å; I943-M954 HydrophobicContact CG1-CE 4.37Å; I943-M954 HydrophobicContact CG1-SD 3.82Å; I943-L960 HydrophobicContact CD1-CB 4.09Å; I943-L960 HydrophobicContact CD1-CD2 3.51Å; I943-L960 HydrophobicContact CD1-CG 4.42Å; I943-F963 HydrophobicContact CD1-CB 4.41Å; I943-F963 HydrophobicContact CD1-CD1 3.86Å; I943-F963 HydrophobicContact CD1-CD2 4.02Å; I943-F963 HydrophobicContact CD1-CE1 4.08Å; I943-F963 HydrophobicContact CD1-CE2 4.24Å; I943-F963 HydrophobicContact CD1-CG 3.82Å; I943-F963 HydrophobicContact CD1-CZ 4.27Å; I943-F963 HydrophobicContact CG1-CD1 4.01Å; I943-F963 HydrophobicContact CG1-CE1 4.09Å; I943-F963 HydrophobicContact CG1-CG 4.47Å; I943-F963 HydrophobicContact CG2-CE1 4.13Å; I943-F963 HydrophobicContact CG2-CZ 4.12Å; I943-C1025 HydrophobicContact CD1-CB 4.23Å; I943-C1025 HydrophobicContact CG1-CB 3.58Å
944	E	69.1	Low	75.4	Confident	110 Å²	110	50.1 Å²	50.1	51%	0.514	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	121.2	163.8	-73.2	175.6	163.3	0	0	108.8	I946 Q1024	E944-I946 PolarHBondContact O-N 2.77Å; E944-Q1024 PolarHBondContact OE1-NE2 2.96Å; E944-Q1024 PolarHBondContact OE2-NE2 2.97Å
945	N	60.5	Low	75	Confident	59 Å²	59	53.5 Å²	53.5	32%	0.316	27%	0.272	S	S	.	.			trans	-79.2	107.6	-174.2	-170.2	10.2	0	0	0	110.4	D947 N948 G949 G950 I952	N945-D947 PolarHBondContact O-N 3.38Å; N945-N948 PolarHBondContact O-N 3.32Å; N945-G949 PolarHBondContact O-N 2.96Å; N945-G950 WeakPolarHBondContact CB-O 3.3Å; N945-G950 PolarHBondContact N-O 2.89Å; N945-I952 HydrophobicContact CB-CD1 4.14Å; N945-I952 HydrophobicContact CB-CG1 4.4Å
946	I	50.7	Low	74.7	Confident	125 Å²	125	58 Å²	58	64%	0.641	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-40.4	-165.5	-59.9	174.1	0	0	0	113.1	E944	E944-I946 PolarHBondContact O-N 2.77Å
947	D	44.4	Very low	74.5	Confident	133 Å²	133	56.6 Å²	56.6	71%	0.711	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.7	-174.2	-58.5	-44.8	0	0	0	114.5	N945	N945-D947 PolarHBondContact O-N 3.38Å
948	N	48.7	Very low	74.2	Confident	94 Å²	94	57.1 Å²	57.1	50%	0.503	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-0.4	-167.3	-78	-71.9	0	0	0	115.7	N784 N945 G950	N784-N948 PolarHBondContact ND2-O 3.46Å; N784-N948 PolarHBondContact OD1-O 2.86Å; N945-N948 PolarHBondContact O-N 3.32Å; N948-G950 PolarHBondContact O-N 3.15Å
949	G	49.7	Very low	73.5	Confident	37 Å²	37	62.1 Å²	62.1	38%	0.381	31%	0.312	S	S	.	.			trans	70.4	-16.1	177.3	0	0	0	0	0	116.5	N784 N945	N784-G949 WeakPolarHBondContact OD1-CA 3.14Å; N945-G949 PolarHBondContact O-N 2.96Å
950	G	59.4	Low	73	Confident	13 Å²	13	61.1 Å²	61.1	13%	0.134	31%	0.311	C	S	.	.			trans	-63.8	144.9	177.1	0	0	0	0	0	114.1	N945 N948	N945-G950 WeakPolarHBondContact CB-O 3.3Å; N945-G950 PolarHBondContact N-O 2.89Å; N948-G950 PolarHBondContact O-N 3.15Å
951	R	76.3	Confident	72.6	Confident	67 Å²	67	60.4 Å²	60.4	25%	0.253	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.3	177.4	-176.4	-178.6	-71.5	152.1	0.4	111.1	Q933 T936 I943	Q933-R951 CarbonylContact C-O 3.56Å; Q933-R951 VanDerWaalsContact CA-O 3.32Å; Q933-R951 WeakPolarHBondContact CA-O 3.19Å; T936-R951 PolarHBondContact O-NH1 2.98Å; I943-R951 WeakPolarHBondContact O-CA 3.42Å
952	I	85.2	Confident	72.2	Confident	52 Å²	52	58.9 Å²	58.9	27%	0.267	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.2	172.5	-58.4	178.1	0	0	0	109.8	Q933 S942 I943 N945	Q933-I952 HydrophobicContact CB-CG1 4.07Å; S942-I952 VanDerWaalsContact CA-O 3.31Å; S942-I952 WeakPolarHBondContact CA-O 3.44Å; I943-I952 PolarHBondContact N-O 3.4Å; I943-I952 PolarHBondContact O-N 3.21Å; N945-I952 HydrophobicContact CB-CD1 4.14Å; N945-I952 HydrophobicContact CB-CG1 4.4Å
953	C	88.5	Confident	72.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.6	177.3	-54.3	0	0	0	0	113.1	L920 R932 C935 C938 W941	L920-C953 HydrophobicContact CB-CB 3.99Å; R932-C953 HydrophobicContact CB-CB 4.16Å; R932-C953 WeakPolarHBondContact O-CB 3.15Å; R932-C953 PolarHBondContact O-N 3.44Å; R932-C953 PolarHBondContact O-SG 3.45Å; C935-C953 VanDerWaalsContact CB-SG 3.54Å; C938-C953 WeakPolarHBondContact CA-SG 3.05Å; C938-C953 HydrophobicContact CB-CB 3.5Å; C938-C953 WeakPolarHBondContact CB-SG 3.39Å; C938-C953 WeakPolarHBondContact SG-CA 3.46Å; C938-C953 WeakPolarHBondContact SG-CB 2.92Å; C938-C953 CovalentContact SG-SG 2.02Å; C938-C953 PolarHBondContact SG-SG 3Å; W941-C953 WeakPolarHBondContact O-CA 3.44Å
954	M	87.2	Confident	72.5	Confident	26 Å²	26	61 Å²	61	13%	0.128	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	163.6	-178.9	44.7	170	41.2	0	0	112	W941 I943 L960	W941-M954 HydrophobicContact CB-CG 4.24Å; W941-M954 PolarHBondContact N-O 2.72Å; W941-M954 PolarHBondContact O-N 3.25Å; I943-M954 HydrophobicContact CD1-CE 3.62Å; I943-M954 HydrophobicContact CD1-SD 3.55Å; I943-M954 VanDerWaalsContact CD1-SD 3.55Å; I943-M954 HydrophobicContact CG1-CE 4.37Å; I943-M954 HydrophobicContact CG1-SD 3.82Å; M954-L960 HydrophobicContact CE-CB 4.27Å
955	E	83.9	Confident	73.2	Confident	94 Å²	94	57.5 Å²	57.5	44%	0.439	31%	0.307	S	S	.	.	S	Bend	trans	-91.8	-33.3	-176	-166.5	152.4	-135.1	0	0	112.7	L920 Y940 W941	L920-E955 HydrophobicContact CD2-CB 4.48Å; Y940-E955 HydrophobicContact CD2-CB 3.97Å; Y940-E955 HydrophobicContact CD2-CG 3.77Å; Y940-E955 HydrophobicContact CE2-CB 4.09Å; Y940-E955 HydrophobicContact CE2-CG 3.56Å; Y940-E955 WeakPolarHBondContact CE2-OE1 2.83Å; Y940-E955 PolarHBondContact OH-OE1 2.97Å; W941-E955 VanDerWaalsContact CD1-O 3.27Å
956	H	82.9	Confident	73.9	Confident	99 Å²	99	56 Å²	56	46%	0.458	30%	0.3	S	S	.	.			trans	-137.4	150.9	172.9	-55.4	-33.4	0	0	0	110.6
957	C	82.9	Confident	74.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	-86.6	-28.7	-179.9	-60.7	0	0	0	0	113.4	D959 L960 T965 C1025	C957-D959 PolarHBondContact O-N 3.42Å; C957-L960 PolarHBondContact O-N 3.1Å; C957-T965 WeakPolarHBondContact CB-OG1 3.4Å; C957-C1025 VanDerWaalsContact CA-SG 3.52Å; C957-C1025 HydrophobicContact CB-CB 3.61Å; C957-C1025 WeakPolarHBondContact CB-SG 3.37Å; C957-C1025 WeakPolarHBondContact SG-CA 3.47Å; C957-C1025 WeakPolarHBondContact SG-CB 3.28Å; C957-C1025 CovalentContact SG-SG 2.03Å; C957-C1025 PolarHBondContact SG-SG 2.86Å
958	E	78	Confident	75	Confident	54 Å²	54	56.6 Å²	56.6	25%	0.252	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.3	-179.6	-64.2	72.1	-158.9	0	0	113.3	L960 T965 Q1037	E958-L960 PolarHBondContact O-N 3.13Å; E958-T965 WeakPolarHBondContact OE1-CB 3.4Å; E958-T965 PolarHBondContact OE1-N 2.84Å; E958-T965 VanDerWaalsContact OE1-N 3.17Å; E958-T965 PolarHBondContact OE1-OG1 3.31Å; E958-T965 PolarHBondContact OE2-OG1 3.47Å; E958-Q1037 HydrophobicContact CB-CG 4.44Å; E958-Q1037 HydrophobicContact CG-CG 3.84Å
959	D	73.5	Confident	74.7	Confident	111 Å²	111	58.2 Å²	58.2	59%	0.594	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.5	174.1	-70.3	-23.9	0	0	0	112.7	C957	C957-D959 PolarHBondContact O-N 3.42Å
960	L	74.6	Confident	74.1	Confident	77 Å²	77	61.4 Å²	61.4	40%	0.403	31%	0.314	S	S	.	.	S	Bend	trans	-113.5	108.8	174.2	-144	77.6	0	0	0	111.2	I943 M954 C957 E958 G962 F963	I943-L960 HydrophobicContact CD1-CB 4.09Å; I943-L960 HydrophobicContact CD1-CD2 3.51Å; I943-L960 HydrophobicContact CD1-CG 4.42Å; M954-L960 HydrophobicContact CE-CB 4.27Å; C957-L960 PolarHBondContact O-N 3.1Å; E958-L960 PolarHBondContact O-N 3.13Å; L960-G962 PolarHBondContact O-N 2.88Å; L960-F963 HydrophobicContact CB-CD2 4.21Å; L960-F963 HydrophobicContact CD2-CD2 3.92Å; L960-F963 HydrophobicContact CD2-CE2 3.88Å; L960-F963 HydrophobicContact CG-CD2 4.41Å; L960-F963 PolarHBondContact O-N 3.07Å; L960-F963 VanDerWaalsContact O-N 3.09Å
961	P	75.4	Confident	73	Confident	68 Å²	68	65.5 Å²	65.5	44%	0.442	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	129.8	-179.4	-27.7	35.5	0	0	0	112.7
962	G	78.6	Confident	71	Confident	7 Å²	7	67.6 Å²	67.6	7%	0.072	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	0.9	-175	0	0	0	0	0	114.9	L960 C1028 T1038	L960-G962 PolarHBondContact O-N 2.88Å; G962-C1028 WeakPolarHBondContact O-CB 3.2Å; G962-C1028 PolarHBondContact O-N 2.74Å; G962-C1028 PolarHBondContact O-SG 3.33Å; G962-T1038 PolarHBondContact N-OG1 3.16Å
963	F	85.8	Confident	68.5	Low	28 Å²	28	67.6 Å²	67.6	12%	0.123	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	158.6	168	-67.6	-99.2	0	0	0	110.9	I943 L960 C1025 K1026 K1027	I943-F963 HydrophobicContact CD1-CB 4.41Å; I943-F963 HydrophobicContact CD1-CD1 3.86Å; I943-F963 HydrophobicContact CD1-CD2 4.02Å; I943-F963 HydrophobicContact CD1-CE1 4.08Å; I943-F963 HydrophobicContact CD1-CE2 4.24Å; I943-F963 HydrophobicContact CD1-CG 3.82Å; I943-F963 HydrophobicContact CD1-CZ 4.27Å; I943-F963 HydrophobicContact CG1-CD1 4.01Å; I943-F963 HydrophobicContact CG1-CE1 4.09Å; I943-F963 HydrophobicContact CG1-CG 4.47Å; I943-F963 HydrophobicContact CG2-CE1 4.13Å; I943-F963 HydrophobicContact CG2-CZ 4.12Å; L960-F963 HydrophobicContact CB-CD2 4.21Å; L960-F963 HydrophobicContact CD2-CD2 3.92Å; L960-F963 HydrophobicContact CD2-CE2 3.88Å; L960-F963 HydrophobicContact CG-CD2 4.41Å; L960-F963 PolarHBondContact O-N 3.07Å; L960-F963 VanDerWaalsContact O-N 3.09Å; F963-C1025 HydrophobicContact CB-CB 4.44Å; F963-C1025 HydrophobicContact CD1-CB 4.17Å; F963-K1026 WeakPolarHBondContact CA-O 3.29Å; F963-K1027 HydrophobicContact CD1-CB 4.3Å; F963-K1027 HydrophobicContact CE1-CB 4.02Å; F963-K1027 HydrophobicContact CE1-CG 4.29Å; F963-K1027 HydrophobicContact CZ-CB 4.47Å; F963-K1027 HydrophobicContact CZ-CG 4.26Å
964	Y	86.2	Confident	65.8	Low	27 Å²	27	72.8 Å²	72.8	11%	0.106	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155.4	174.8	76.4	-79.5	0	0	0	110.8	P966 K1026 C1039 P1042	Y964-P966 HydrophobicContact CE2-CB 4.42Å; Y964-P966 HydrophobicContact CE2-CG 4.25Å; Y964-P966 WeakPolarHBondContact O-CD 3.19Å; Y964-K1026 HydrophobicContact CD1-CB 4.08Å; Y964-K1026 WeakPolarHBondContact CD1-O 2.93Å; Y964-K1026 HydrophobicContact CE1-CB 3.32Å; Y964-K1026 HydrophobicContact CE2-CB 4.48Å; Y964-K1026 PolarHBondContact N-O 3.16Å; Y964-K1026 PolarHBondContact O-N 3.37Å; Y964-K1026 WeakPolarHBondContact OH-CB 3.21Å; Y964-C1039 WeakPolarHBondContact CB-O 3.2Å; Y964-C1039 WeakPolarHBondContact CD1-SG 3.48Å; Y964-P1042 WeakPolarHBondContact OH-CD 3.16Å
965	T	84.7	Confident	63.2	Low	36 Å²	36	75.6 Å²	75.6	22%	0.221	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-82.4	117.2	171.6	-54.2	0	0	0	0	110	W941 C957 E958	W941-T965 HydrophobicContact CD2-CG2 4.23Å; W941-T965 HydrophobicContact CE3-CG2 4.32Å; W941-T965 HydrophobicContact CH2-CG2 3.4Å; W941-T965 HydrophobicContact CZ2-CG2 3.25Å; W941-T965 HydrophobicContact CZ3-CG2 3.94Å; C957-T965 WeakPolarHBondContact CB-OG1 3.4Å; E958-T965 WeakPolarHBondContact OE1-CB 3.4Å; E958-T965 PolarHBondContact OE1-N 2.84Å; E958-T965 VanDerWaalsContact OE1-N 3.17Å; E958-T965 PolarHBondContact OE1-OG1 3.31Å; E958-T965 PolarHBondContact OE2-OG1 3.47Å
966	P	75	Confident	60.6	Low	27 Å²	27	77.5 Å²	77.5	18%	0.175	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-60.9	141.1	171.1	-22.6	34.6	0	0	0	111.7	Y964 Q1024 K1026	Y964-P966 HydrophobicContact CE2-CB 4.42Å; Y964-P966 HydrophobicContact CE2-CG 4.25Å; Y964-P966 WeakPolarHBondContact O-CD 3.19Å; P966-Q1024 WeakPolarHBondContact CD-O 3.45Å; P966-Q1024 WeakPolarHBondContact CG-O 3.08Å; P966-K1026 HydrophobicContact CG-CB 4.23Å; P966-K1026 HydrophobicContact CG-CG 3.71Å
967	K	66.6	Low	58.2	Low	153 Å²	153	79 Å²	79	67%	0.665	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-71.3	132.1	171.5	-68.1	174.2	-177.6	168.5	0	108.4	N969 D970	K967-N969 PolarHBondContact O-N 2.98Å; K967-D970 PolarHBondContact O-N 3.04Å
968	L	52.3	Low	55.7	Low	117 Å²	117	86 Å²	86	61%	0.613	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-4.6	-178.3	-89.6	83.1	0	0	0	114.9	W941 T971	W941-L968 HydrophobicContact CH2-CD1 4.06Å; W941-L968 HydrophobicContact CZ2-CD1 4.19Å; L968-T971 PolarHBondContact O-OG1 3.41Å
969	N	41.9	Very low	53.5	Low	128 Å²	128	88.6 Å²	88.6	68%	0.684	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-26.6	173.1	-65.3	25.5	0	0	0	112.3	K967 T971 H972 S973	K967-N969 PolarHBondContact O-N 2.98Å; N969-T971 PolarHBondContact O-N 3.35Å; N969-H972 WeakPolarHBondContact O-CB 3.41Å; N969-H972 PolarHBondContact O-N 2.71Å; N969-S973 PolarHBondContact O-N 2.96Å
970	D	37.5	Very low	51.4	Low	104 Å²	104	88.2 Å²	88.2	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-78.8	-8	-179.1	-59.9	-45.2	0	0	0	112.9	K967 S973	K967-D970 PolarHBondContact O-N 3.04Å; D970-S973 PolarHBondContact O-OG 2.8Å
971	T	35.8	Very low	49.2	Very low	100 Å²	100	91.7 Å²	91.7	61%	0.613	48%	0.482	S	S	*	.	H	α-helix	trans	-86.9	-13.5	163.7	38.1	0	0	0	0	113.2	L968 N969	L968-T971 PolarHBondContact O-OG1 3.41Å; N969-T971 PolarHBondContact O-N 3.35Å
972	H	33.7	Very low	47	Very low	111 Å²	111	98.4 Å²	98.4	51%	0.514	50%	0.499	S	S	.	.	H	α-helix	trans	-89.1	-25.5	176.3	-91.5	-79.5	0	0	0	113.5	N969 L975 E976	N969-H972 WeakPolarHBondContact O-CB 3.41Å; N969-H972 PolarHBondContact O-N 2.71Å; H972-L975 CarbonylContact O-C 2.97Å; H972-L975 WeakPolarHBondContact O-CA 3.45Å; H972-L975 WeakPolarHBondContact O-CB 3.32Å; H972-L975 PolarHBondContact O-N 3.04Å; H972-L975 VanDerWaalsContact O-N 3.09Å; H972-E976 PolarHBondContact O-N 3.03Å
973	S	32.6	Very low	44.4	Very low	52 Å²	52	103 Å²	103	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-62.9	-44.6	175	50.4	0	0	0	0	112.8	N969 D970 L975 E976 Q977	N969-S973 PolarHBondContact O-N 2.96Å; D970-S973 PolarHBondContact O-OG 2.8Å; S973-L975 PolarHBondContact O-N 2.69Å; S973-E976 PolarHBondContact O-N 3.35Å; S973-Q977 PolarHBondContact O-N 2.75Å
974	N	33.2	Very low	41.6	Very low	109 Å²	109	109 Å²	109	58%	0.583	56%	0.564	S	S	*	*	H	α-helix	trans	-63.8	-28.8	171.7	-77.7	-22.1	0	0	0	112.4	M978	N974-M978 WeakPolarHBondContact O-CB 3.28Å; N974-M978 WeakPolarHBondContact O-CG 3.34Å; N974-M978 PolarHBondContact O-N 2.88Å
975	L	31.9	Very low	38.8	Very low	85 Å²	85	115.3 Å²	115.3	45%	0.445	60%	0.597	S	S	.	*	H	α-helix	trans	-74.6	-40	174.8	-155.4	74.5	0	0	0	111.2	H972 S973 M978 I979	H972-L975 CarbonylContact O-C 2.97Å; H972-L975 WeakPolarHBondContact O-CA 3.45Å; H972-L975 WeakPolarHBondContact O-CB 3.32Å; H972-L975 PolarHBondContact O-N 3.04Å; H972-L975 VanDerWaalsContact O-N 3.09Å; S973-L975 PolarHBondContact O-N 2.69Å; L975-M978 PolarHBondContact O-N 2.54Å; L975-I979 HydrophobicContact CD2-CD1 4.39Å; L975-I979 HydrophobicContact CG-CD1 4.02Å; L975-I979 VanDerWaalsContact O-CB 3.3Å; L975-I979 WeakPolarHBondContact O-CB 3.03Å; L975-I979 WeakPolarHBondContact O-CD1 3.23Å; L975-I979 WeakPolarHBondContact O-CG1 3.47Å; L975-I979 PolarHBondContact O-N 3.3Å
976	E	29.6	Very low	36	Very low	134 Å²	134	122.4 Å²	122.4	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-67.2	-35.3	175.1	-73.8	-174.7	144.4	0	0	112.4	H972 S973 I979 T980	H972-E976 PolarHBondContact O-N 3.03Å; S973-E976 PolarHBondContact O-N 3.35Å; E976-I979 PolarHBondContact O-N 2.75Å; E976-T980 PolarHBondContact O-N 3.36Å; E976-T980 PolarHBondContact O-OG1 3.26Å
977	Q	32.2	Very low	33.9	Very low	130 Å²	130	128.3 Å²	128.3	61%	0.607	66%	0.659	S	S	*	*	H	α-helix	trans	-67.3	-45	169.5	-74.2	-167.4	-81.1	0	0	112.1	S973 I979 T980 D981	S973-Q977 PolarHBondContact O-N 2.75Å; Q977-I979 PolarHBondContact O-N 3.22Å; Q977-T980 WeakPolarHBondContact CA-OG1 3.29Å; Q977-T980 PolarHBondContact O-N 3.22Å; Q977-T980 PolarHBondContact O-OG1 2.79Å; Q977-D981 PolarHBondContact O-N 3.11Å
978	M	31.4	Very low	32.1	Very low	148 Å²	148	126.6 Å²	126.6	73%	0.729	66%	0.657	S	S	*	*	H	α-helix	trans	-64.5	-19.6	173.5	-77.5	-169.9	165.3	0	0	114.2	N974 L975	N974-M978 WeakPolarHBondContact O-CB 3.28Å; N974-M978 WeakPolarHBondContact O-CG 3.34Å; N974-M978 PolarHBondContact O-N 2.88Å; L975-M978 PolarHBondContact O-N 2.54Å
979	I	31.5	Very low	31	Very low	109 Å²	109	125.9 Å²	125.9	56%	0.559	66%	0.657	S	S	*	*	H	α-helix	trans	-89.6	-28.3	175.3	-73.5	166.7	0	0	0	111.9	L975 E976 Q977 R982	L975-I979 HydrophobicContact CD2-CD1 4.39Å; L975-I979 HydrophobicContact CG-CD1 4.02Å; L975-I979 VanDerWaalsContact O-CB 3.3Å; L975-I979 WeakPolarHBondContact O-CB 3.03Å; L975-I979 WeakPolarHBondContact O-CD1 3.23Å; L975-I979 WeakPolarHBondContact O-CG1 3.47Å; L975-I979 PolarHBondContact O-N 3.3Å; E976-I979 PolarHBondContact O-N 2.75Å; Q977-I979 PolarHBondContact O-N 3.22Å; I979-R982 PolarHBondContact O-N 2.87Å
980	T	29.3	Very low	30.4	Very low	103 Å²	103	127.8 Å²	127.8	63%	0.632	66%	0.662	S	S	*	*	H	α-helix	trans	-76.3	-33.7	177.6	29.7	0	0	0	0	113.1	E976 Q977 R982	E976-T980 PolarHBondContact O-N 3.36Å; E976-T980 PolarHBondContact O-OG1 3.26Å; Q977-T980 WeakPolarHBondContact CA-OG1 3.29Å; Q977-T980 PolarHBondContact O-N 3.22Å; Q977-T980 PolarHBondContact O-OG1 2.79Å; T980-R982 PolarHBondContact O-N 3.38Å
981	D	28.4	Very low	30.1	Very low	150 Å²	150	129.3 Å²	129.3	80%	0.802	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	7.5	171.1	-73.8	-26.5	0	0	0	114.1	Q977	Q977-D981 PolarHBondContact O-N 3.11Å
982	R	28.7	Very low	29.9	Very low	208 Å²	208	130.8 Å²	130.8	79%	0.785	67%	0.673	S	S	*	*	S	Bend	trans	-126.9	67.5	168.4	-75	-167.1	170.6	-170.4	-0.6	111.9	I979 T980 N984	I979-R982 PolarHBondContact O-N 2.87Å; T980-R982 PolarHBondContact O-N 3.38Å; R982-N984 VanDerWaalsContact C-N 3.28Å; R982-N984 PolarHBondContact O-N 2.95Å
983	S	24.3	Very low	29.7	Very low	104 Å²	104	130.7 Å²	130.7	73%	0.727	69%	0.685	S	S	*	*			trans	-64	74.9	172.8	52.9	0	0	0	0	113.7
984	N	26.6	Very low	29.6	Very low	155 Å²	155	134.3 Å²	134.3	83%	0.829	71%	0.706	S	S	*	*			trans	-166.6	136.2	148.9	-101.4	-51.6	0	0	0	113.6	R982	R982-N984 VanDerWaalsContact C-N 3.28Å; R982-N984 PolarHBondContact O-N 2.95Å
985	I	28.2	Very low	29.3	Very low	159 Å²	159	133.1 Å²	133.1	82%	0.815	71%	0.71	S	S	*	*			trans	92.4	98.9	176.3	-53.9	165.2	0	0	0	115.1
986	M	25.8	Very low	29.5	Very low	185 Å²	185	135.4 Å²	135.4	91%	0.911	73%	0.728	S	S	*	*			trans	-94.9	131.7	161	-65.6	-160.2	-57.6	0	0	110.9
987	I	30.6	Very low	29.4	Very low	150 Å²	150	139 Å²	139	77%	0.769	74%	0.737	S	S	*	*			trans	-136.5	135.6	151.5	-63.3	-173.1	0	0	0	108
988	D	27.7	Very low	29.2	Very low	118 Å²	118	140.4 Å²	140.4	63%	0.631	75%	0.749	S	S	*	*			trans	-84.3	135.6	-171	-177.8	-3.5	0	0	0	112.7	Q990	D988-Q990 PolarHBondContact OD1-N 3.23Å
989	V	30.6	Very low	29.3	Very low	101 Å²	101	140.7 Å²	140.7	61%	0.612	75%	0.753	S	S	*	*			trans	-130	37.1	-178.6	-158.9	0	0	0	0	112.7	N991 L992	V989-N991 PolarHBondContact O-N 2.85Å; V989-L992 HydrophobicContact CG1-CB 4.48Å; V989-L992 HydrophobicContact CG1-CD1 4.09Å
990	Q	29.6	Very low	29.3	Very low	169 Å²	169	143.9 Å²	143.9	79%	0.79	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-5.6	167.6	-72.7	-163.2	-14.8	0	0	114.8	D988	D988-Q990 PolarHBondContact OD1-N 3.23Å
991	N	30.4	Very low	29.3	Very low	136 Å²	136	146.1 Å²	146.1	73%	0.727	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	0	-168.5	-77.8	-57.7	0	0	0	117.2	V989	V989-N991 PolarHBondContact O-N 2.85Å
992	L	31.2	Very low	29.4	Very low	130 Å²	130	144.6 Å²	144.6	68%	0.681	76%	0.764	S	S	*	*	S	Bend	trans	-89.7	-16.9	-171.9	-112.6	80.8	0	0	0	116.3	V989 T994	V989-L992 HydrophobicContact CG1-CB 4.48Å; V989-L992 HydrophobicContact CG1-CD1 4.09Å; L992-T994 VanDerWaalsContact C-N 3.34Å; L992-T994 PolarHBondContact O-N 3.47Å
993	S	28.9	Very low	29.6	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-10.6	-170.5	58.9	0	0	0	0	115.2
994	T	31.4	Very low	30.2	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-2.4	-172.6	-30.8	0	0	0	0	114.2	L992	L992-T994 VanDerWaalsContact C-N 3.34Å; L992-T994 PolarHBondContact O-N 3.47Å
995	A	27.6	Very low	30.6	Very low	83 Å²	83	137.8 Å²	137.8	69%	0.686	74%	0.735	S	S	*	*	S	Bend	trans	-97.5	-15.3	-170.5	0	0	0	0	0	115.6	Y997	A995-Y997 PolarHBondContact O-N 3.15Å
996	V	35	Very low	31	Very low	133 Å²	133	134.2 Å²	134.2	81%	0.806	72%	0.72	S	S	*	*			trans	-99.5	38.7	-165.5	-158.8	0	0	0	0	112.9
997	Y	29	Very low	31.4	Very low	211 Å²	211	132.3 Å²	132.3	83%	0.827	71%	0.709	S	S	*	*	S	Bend	trans	-123.1	19.8	179.6	-147.7	-95.5	0	0	0	114.4	A995	A995-Y997 PolarHBondContact O-N 3.15Å
998	N	27.8	Very low	31.8	Very low	158 Å²	158	131 Å²	131	85%	0.845	70%	0.703	S	S	*	*	S	Bend	trans	-140.7	154.1	168.8	-85.3	-68.1	0	0	0	111.5
999	N	31.7	Very low	32.3	Very low	154 Å²	154	129.4 Å²	129.4	82%	0.824	69%	0.693	S	S	*	*			trans	-74.2	160.2	-168.9	-84.4	-27.1	0	0	0	114.7
1000	E	31.4	Very low	32.6	Very low	177 Å²	177	129.3 Å²	129.3	83%	0.827	69%	0.69	S	S	*	*			trans	64.1	116.8	163.9	-68.2	172.2	-158.4	0	0	117.5
1001	I	29.4	Very low	32.8	Very low	149 Å²	149	128.6 Å²	128.6	76%	0.764	68%	0.684	S	S	*	*				179.1	134.5	121.6	-93.6	158.7	0	0	0	113.4
1002	N	32.3	Very low	33	Very low	118 Å²	118	129.7 Å²	129.7	63%	0.631	68%	0.679	S	S	*	*			trans	58.2	125.9	159.3	-68	-12.5	0	0	0	123.7	S1004 T1005	N1002-S1004 VanDerWaalsContact C-N 3.34Å; N1002-S1004 PolarHBondContact O-N 2.9Å; N1002-T1005 PolarHBondContact O-OG1 2.79Å
1003	K	32	Very low	33.2	Very low	183 Å²	183	130.1 Å²	130.1	80%	0.796	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-25.3	173.1	-73.2	-177.8	171	-176.8	0	115.8	T1005 T1006 E1007	K1003-T1005 PolarHBondContact O-N 3.25Å; K1003-T1006 WeakPolarHBondContact O-CB 3.3Å; K1003-T1006 PolarHBondContact O-N 2.72Å; K1003-T1006 VanDerWaalsContact O-N 3.15Å; K1003-E1007 PolarHBondContact O-N 2.96Å
1004	S	36	Very low	33.3	Very low	66 Å²	66	129 Å²	129	46%	0.462	66%	0.664	S	S	.	*	H	α-helix	trans	-63.5	-29.4	-175.5	52.1	0	0	0	0	113	N1002 T1006 E1007 L1008	N1002-S1004 VanDerWaalsContact C-N 3.34Å; N1002-S1004 PolarHBondContact O-N 2.9Å; S1004-T1006 VanDerWaalsContact C-N 3.35Å; S1004-E1007 PolarHBondContact O-N 3.31Å; S1004-L1008 PolarHBondContact O-N 3.35Å; S1004-L1008 VanDerWaalsContact O-N 3.08Å
1005	T	35.6	Very low	33.4	Very low	76 Å²	76	131.7 Å²	131.7	47%	0.466	67%	0.665	S	S	.	*	H	α-helix	trans	-68.1	-37.1	177.7	-36.1	0	0	0	0	110.9	N1002 K1003 L1008 I1009	N1002-T1005 PolarHBondContact O-OG1 2.79Å; K1003-T1005 PolarHBondContact O-N 3.25Å; T1005-L1008 PolarHBondContact O-N 2.79Å; T1005-I1009 HydrophobicContact CG2-CD1 3.96Å; T1005-I1009 WeakPolarHBondContact O-CB 3.19Å; T1005-I1009 VanDerWaalsContact O-CG1 3.23Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.13Å; T1005-I1009 PolarHBondContact O-N 3.22Å
1006	T	36.9	Very low	33.6	Very low	83 Å²	83	134.4 Å²	134.4	51%	0.509	66%	0.664	S	S	.	*	H	α-helix	trans	-66.4	-40.6	176.8	-43.8	0	0	0	0	111.9	K1003 S1004 N1010	K1003-T1006 WeakPolarHBondContact O-CB 3.3Å; K1003-T1006 PolarHBondContact O-N 2.72Å; K1003-T1006 VanDerWaalsContact O-N 3.15Å; S1004-T1006 VanDerWaalsContact C-N 3.35Å; T1006-N1010 VanDerWaalsContact O-CB 3.29Å; T1006-N1010 WeakPolarHBondContact O-CB 3.15Å; T1006-N1010 PolarHBondContact O-N 3.11Å
1007	E	35.2	Very low	33.4	Very low	146 Å²	146	132 Å²	132	68%	0.682	65%	0.647	S	S	*	*	H	α-helix	trans	-67.6	-40	175.1	-71.3	-174.2	132.1	0	0	112.4	K1003 S1004 K1011	K1003-E1007 PolarHBondContact O-N 2.96Å; S1004-E1007 PolarHBondContact O-N 3.31Å; E1007-K1011 WeakPolarHBondContact O-CB 2.93Å; E1007-K1011 PolarHBondContact O-N 3.49Å
1008	L	37.3	Very low	33.6	Very low	121 Å²	121	128.9 Å²	128.9	63%	0.634	64%	0.637	S	S	*	*	H	α-helix	trans	-67.5	-42.1	176.3	-86.7	162.8	0	0	0	112.6	S1004 T1005 K1011 Y1012	S1004-L1008 PolarHBondContact O-N 3.35Å; S1004-L1008 VanDerWaalsContact O-N 3.08Å; T1005-L1008 PolarHBondContact O-N 2.79Å; L1008-K1011 PolarHBondContact O-N 2.91Å; L1008-Y1012 PolarHBondContact O-N 3.41Å
1009	I	39.8	Very low	34	Very low	85 Å²	85	128.2 Å²	128.2	44%	0.436	63%	0.632	S	S	.	*	H	α-helix	trans	-62.1	-50.4	174.7	-73	169.7	0	0	0	110.1	T1005 K1011 Y1012 Y1013	T1005-I1009 HydrophobicContact CG2-CD1 3.96Å; T1005-I1009 WeakPolarHBondContact O-CB 3.19Å; T1005-I1009 VanDerWaalsContact O-CG1 3.23Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.13Å; T1005-I1009 PolarHBondContact O-N 3.22Å; I1009-K1011 PolarHBondContact O-N 2.82Å; I1009-Y1012 PolarHBondContact O-N 2.86Å; I1009-Y1012 VanDerWaalsContact O-N 3.08Å; I1009-Y1013 HydrophobicContact CG2-CD2 3.66Å; I1009-Y1013 HydrophobicContact CG2-CE2 3.77Å; I1009-Y1013 WeakPolarHBondContact O-CD2 3.1Å; I1009-Y1013 PolarHBondContact O-N 3.23Å
1010	N	35.5	Very low	34.6	Very low	100 Å²	100	128 Å²	128	54%	0.535	62%	0.624	S	S	.	*	H	α-helix	trans	-59.7	-35.1	177.8	-72.9	-5.3	0	0	0	112.3	T1006 S1014	T1006-N1010 VanDerWaalsContact O-CB 3.29Å; T1006-N1010 WeakPolarHBondContact O-CB 3.15Å; T1006-N1010 PolarHBondContact O-N 3.11Å; N1010-S1014 VanDerWaalsContact O-CB 3.26Å; N1010-S1014 WeakPolarHBondContact O-CB 3.39Å; N1010-S1014 PolarHBondContact O-N 2.88Å; N1010-S1014 PolarHBondContact O-OG 2.87Å
1011	K	34.4	Very low	35.7	Very low	153 Å²	153	123.3 Å²	123.3	67%	0.665	61%	0.611	S	S	*	*	H	α-helix	trans	-79.3	-15.2	178.7	-166.7	169.5	-174.5	172.8	0	114.3	E1007 L1008 I1009 S1014	E1007-K1011 WeakPolarHBondContact O-CB 2.93Å; E1007-K1011 PolarHBondContact O-N 3.49Å; L1008-K1011 PolarHBondContact O-N 2.91Å; I1009-K1011 PolarHBondContact O-N 2.82Å; K1011-S1014 PolarHBondContact O-OG 3.11Å
1012	Y	34.5	Very low	37.2	Very low	160 Å²	160	116.5 Å²	116.5	63%	0.627	58%	0.576	S	S	*	*	H	α-helix	trans	-84.7	-50.2	169	-141	-82.9	0	0	0	110	L1008 I1009 S1014 K1015 E1016	L1008-Y1012 PolarHBondContact O-N 3.41Å; I1009-Y1012 PolarHBondContact O-N 2.86Å; I1009-Y1012 VanDerWaalsContact O-N 3.08Å; Y1012-S1014 PolarHBondContact O-N 3.22Å; Y1012-K1015 PolarHBondContact O-N 3.44Å; Y1012-E1016 PolarHBondContact O-N 2.75Å
1013	Y	34.8	Very low	39.1	Very low	139 Å²	139	112.8 Å²	112.8	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-56.5	-36.4	172.6	-86	-76.6	0	0	0	112.4	I1009 K1015 N1017	I1009-Y1013 HydrophobicContact CG2-CD2 3.66Å; I1009-Y1013 HydrophobicContact CG2-CE2 3.77Å; I1009-Y1013 WeakPolarHBondContact O-CD2 3.1Å; I1009-Y1013 PolarHBondContact O-N 3.23Å; Y1013-K1015 PolarHBondContact O-N 2.94Å; Y1013-K1015 VanDerWaalsContact O-N 3.1Å; Y1013-N1017 VanDerWaalsContact O-CB 3.23Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.19Å; Y1013-N1017 PolarHBondContact O-N 2.84Å; Y1013-N1017 PolarHBondContact O-ND2 3.02Å; Y1013-N1017 PolarHBondContact O-OD1 3.37Å
1014	S	31.9	Very low	41.3	Very low	86 Å²	86	106.5 Å²	106.5	60%	0.601	54%	0.535	S	S	*	.	H	α-helix	trans	-72.7	6.4	175.5	83.4	0	0	0	0	115	N1010 K1011 Y1012	N1010-S1014 VanDerWaalsContact O-CB 3.26Å; N1010-S1014 WeakPolarHBondContact O-CB 3.39Å; N1010-S1014 PolarHBondContact O-N 2.88Å; N1010-S1014 PolarHBondContact O-OG 2.87Å; K1011-S1014 PolarHBondContact O-OG 3.11Å; Y1012-S1014 PolarHBondContact O-N 3.22Å
1015	K	32.7	Very low	43.7	Very low	185 Å²	185	103.8 Å²	103.8	80%	0.804	52%	0.516	S	S	*	.	H	α-helix	trans	-120	-22.1	176.4	-96.8	-164.5	167	-161.7	0	114.8	Y1012 Y1013	Y1012-K1015 PolarHBondContact O-N 3.44Å; Y1013-K1015 PolarHBondContact O-N 2.94Å; Y1013-K1015 VanDerWaalsContact O-N 3.1Å
1016	E	31.8	Very low	45.9	Very low	139 Å²	139	104.5 Å²	104.5	65%	0.65	51%	0.513	S	S	*	.	H	α-helix	trans	-104	-12.1	176.3	-66.4	-179.4	141.9	0	0	113	Y1012 K1018	Y1012-E1016 PolarHBondContact O-N 2.75Å; E1016-K1018 PolarHBondContact O-N 3.09Å
1017	N	30.9	Very low	48.2	Very low	84 Å²	84	104.4 Å²	104.4	45%	0.449	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	53.3	173.9	-75.6	-0.1	0	0	0	114	Y1013 F1020	Y1013-N1017 VanDerWaalsContact O-CB 3.23Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.19Å; Y1013-N1017 PolarHBondContact O-N 2.84Å; Y1013-N1017 PolarHBondContact O-ND2 3.02Å; Y1013-N1017 PolarHBondContact O-OD1 3.37Å; N1017-F1020 WeakPolarHBondContact OD1-CD2 3.24Å
1018	K	33	Very low	50.6	Low	144 Å²	144	97.8 Å²	97.8	63%	0.626	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-21.2	163.8	-118.8	-167.4	-177.7	-168.5	0	112.9	D847 E1016	D847-K1018 IonicContact OD1-NZ 3.67Å; D847-K1018 PolarHBondContact OD1-NZ 2.98Å; D847-K1018 IonicContact OD2-NZ 2.77Å; D847-K1018 PolarHBondContact OD2-NZ 3Å; E1016-K1018 PolarHBondContact O-N 3.09Å
1019	I	37.4	Very low	52.9	Low	144 Å²	144	93.1 Å²	93.1	74%	0.738	45%	0.453	S	S	*	.			trans	-139.3	81.5	175.9	-46.4	178.2	0	0	0	110.5
1020	F	44.5	Very low	55.1	Low	150 Å²	150	93 Å²	93	66%	0.658	45%	0.453	S	S	*	.			trans	-117.8	82.5	152.1	-97.6	-80.9	0	0	0	108.3	L937 N1017	L937-F1020 WeakPolarHBondContact CD2-O 3.32Å; N1017-F1020 WeakPolarHBondContact OD1-CD2 3.24Å
1021	S	53.6	Low	57.6	Low	78 Å²	78	90.3 Å²	90.3	55%	0.545	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-59.9	142.4	161.4	50.6	0	0	0	0	109.2	A1023	S1021-A1023 PolarHBondContact O-N 2.99Å
1022	S	60.4	Low	60	Low	6 Å²	6	83.1 Å²	83.1	4%	0.042	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-49.7	136.7	168.6	-58.5	0	0	0	0	110.6	L937 C938 S942 Q1024	L937-S1022 WeakPolarHBondContact CD2-OG 3.25Å; C938-S1022 PolarHBondContact N-OG 2.84Å; S942-S1022 WeakPolarHBondContact OG-CB 3.13Å; S942-S1022 PolarHBondContact OG-O 3.31Å; S1022-Q1024 PolarHBondContact O-N 3.07Å; S1022-Q1024 VanDerWaalsContact O-N 3.1Å
1023	A	72.9	Confident	62.2	Low	40 Å²	40	77.1 Å²	77.1	33%	0.331	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	120.7	-176.4	0	0	0	0	0	109.1	W941 S942 S1021	W941-A1023 CarbonylContact C-O 3.59Å; W941-A1023 VanDerWaalsContact CA-O 3.27Å; W941-A1023 WeakPolarHBondContact CA-O 3.15Å; W941-A1023 HydrophobicContact CD2-CB 3.89Å; W941-A1023 HydrophobicContact CE3-CB 3.41Å; W941-A1023 VanDerWaalsContact CE3-CB 3.41Å; W941-A1023 HydrophobicContact CH2-CB 3.93Å; W941-A1023 HydrophobicContact CZ2-CB 4.36Å; W941-A1023 HydrophobicContact CZ3-CB 3.44Å; W941-A1023 VanDerWaalsContact CZ3-CB 3.44Å; S942-A1023 PolarHBondContact N-O 3.38Å; S942-A1023 PolarHBondContact OG-O 3.32Å; S1021-A1023 PolarHBondContact O-N 2.99Å
1024	Q	79.1	Confident	64.3	Low	51 Å²	51	75.9 Å²	75.9	24%	0.238	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.9	-174.4	-86.6	-171.3	-16.5	0	0	110.8	S942 E944 P966 S1022	S942-Q1024 WeakPolarHBondContact O-CA 3.43Å; E944-Q1024 PolarHBondContact OE1-NE2 2.96Å; E944-Q1024 PolarHBondContact OE2-NE2 2.97Å; P966-Q1024 WeakPolarHBondContact CD-O 3.45Å; P966-Q1024 WeakPolarHBondContact CG-O 3.08Å; S1022-Q1024 PolarHBondContact O-N 3.07Å; S1022-Q1024 VanDerWaalsContact O-N 3.1Å
1025	C	85	Confident	66.1	Low	9 Å²	9	76.7 Å²	76.7	6%	0.061	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-63.9	132.8	158.1	-56.6	0	0	0	0	108.5	S942 I943 C957 F963	S942-C1025 PolarHBondContact O-N 2.79Å; I943-C1025 HydrophobicContact CD1-CB 4.23Å; I943-C1025 HydrophobicContact CG1-CB 3.58Å; C957-C1025 VanDerWaalsContact CA-SG 3.52Å; C957-C1025 HydrophobicContact CB-CB 3.61Å; C957-C1025 WeakPolarHBondContact CB-SG 3.37Å; C957-C1025 WeakPolarHBondContact SG-CA 3.47Å; C957-C1025 WeakPolarHBondContact SG-CB 3.28Å; C957-C1025 CovalentContact SG-SG 2.03Å; C957-C1025 PolarHBondContact SG-SG 2.86Å; F963-C1025 HydrophobicContact CB-CB 4.44Å; F963-C1025 HydrophobicContact CD1-CB 4.17Å
1026	K	83.3	Confident	67.6	Low	91 Å²	91	73.7 Å²	73.7	40%	0.396	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.9	177.6	-68.9	-61.2	-173.1	-169.7	0	109.6	F963 Y964 P966	F963-K1026 WeakPolarHBondContact CA-O 3.29Å; Y964-K1026 HydrophobicContact CD1-CB 4.08Å; Y964-K1026 WeakPolarHBondContact CD1-O 2.93Å; Y964-K1026 HydrophobicContact CE1-CB 3.32Å; Y964-K1026 HydrophobicContact CE2-CB 4.48Å; Y964-K1026 PolarHBondContact N-O 3.16Å; Y964-K1026 PolarHBondContact O-N 3.37Å; Y964-K1026 WeakPolarHBondContact OH-CB 3.21Å; P966-K1026 HydrophobicContact CG-CB 4.23Å; P966-K1026 HydrophobicContact CG-CG 3.71Å
1027	K	84.4	Confident	69.6	Low	82 Å²	82	73 Å²	73	36%	0.357	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.2	177	-161.2	-162	171.5	-170	0	109.4	F963 D1030	F963-K1027 HydrophobicContact CD1-CB 4.3Å; F963-K1027 HydrophobicContact CE1-CB 4.02Å; F963-K1027 HydrophobicContact CE1-CG 4.29Å; F963-K1027 HydrophobicContact CZ-CB 4.47Å; F963-K1027 HydrophobicContact CZ-CG 4.26Å; K1027-D1030 IonicContact NZ-OD1 3.47Å; K1027-D1030 PolarHBondContact NZ-OD1 2.75Å; K1027-D1030 IonicContact NZ-OD2 4Å; K1027-D1030 PolarHBondContact NZ-OD2 2.84Å
1028	C	85.4	Confident	72	Confident	6 Å²	6	69.1 Å²	69.1	4%	0.041	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-73.3	159.6	165.8	-58.1	0	0	0	0	111.2	G962 D1030 T1038 C1039	G962-C1028 WeakPolarHBondContact O-CB 3.2Å; G962-C1028 PolarHBondContact O-N 2.74Å; G962-C1028 PolarHBondContact O-SG 3.33Å; C1028-D1030 PolarHBondContact O-N 3.2Å; C1028-T1038 HydrophobicContact CB-CG2 3.83Å; C1028-T1038 VanDerWaalsContact SG-CB 3.57Å; C1028-C1039 WeakPolarHBondContact CA-SG 3.34Å; C1028-C1039 HydrophobicContact CB-CB 3.69Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.43Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.07Å; C1028-C1039 PolarHBondContact SG-N 2.94Å; C1028-C1039 CovalentContact SG-SG 2.02Å; C1028-C1039 PolarHBondContact SG-SG 2.81Å
1029	S	86.8	Confident	74.6	Confident	23 Å²	23	62.5 Å²	62.5	16%	0.161	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-55.5	139.6	168	171.2	0	0	0	0	111.4	M1031 C1032 P1042 D1044	S1029-M1031 PolarHBondContact O-N 3.03Å; S1029-M1031 VanDerWaalsContact O-N 3.09Å; S1029-M1031 WeakPolarHBondContact OG-CB 3.44Å; S1029-M1031 WeakPolarHBondContact OG-CG 3.06Å; S1029-M1031 PolarHBondContact OG-N 3.14Å; S1029-C1032 WeakPolarHBondContact O-CB 3.47Å; S1029-C1032 PolarHBondContact O-N 2.96Å; S1029-C1032 PolarHBondContact O-SG 2.91Å; S1029-C1032 VanDerWaalsContact O-SG 3.37Å; S1029-P1042 WeakPolarHBondContact CB-O 3.32Å; S1029-P1042 PolarHBondContact N-O 2.82Å; S1029-D1044 WeakPolarHBondContact CB-OD1 3.23Å; S1029-D1044 PolarHBondContact OG-OD1 3.1Å
1030	D	84.7	Confident	76.9	Confident	84 Å²	84	62 Å²	62	45%	0.449	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.1	172.4	-71.9	-69.3	0	0	0	113.3	K1027 C1028 R1052	K1027-D1030 IonicContact NZ-OD1 3.47Å; K1027-D1030 PolarHBondContact NZ-OD1 2.75Å; K1027-D1030 IonicContact NZ-OD2 4Å; K1027-D1030 PolarHBondContact NZ-OD2 2.84Å; C1028-D1030 PolarHBondContact O-N 3.2Å; D1030-R1052 WeakPolarHBondContact O-CD 3.32Å; D1030-R1052 PolarHBondContact O-NH1 3.11Å
1031	M	87.7	Confident	78.8	Confident	42 Å²	42	55 Å²	55	21%	0.207	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13	170.6	-55.3	-58.5	120.6	0	0	113.4	S1029 D1044 R1052 F1053 C1060 A1062	S1029-M1031 PolarHBondContact O-N 3.03Å; S1029-M1031 VanDerWaalsContact O-N 3.09Å; S1029-M1031 WeakPolarHBondContact OG-CB 3.44Å; S1029-M1031 WeakPolarHBondContact OG-CG 3.06Å; S1029-M1031 PolarHBondContact OG-N 3.14Å; M1031-D1044 VanDerWaalsContact CG-OD1 3.25Å; M1031-D1044 WeakPolarHBondContact CG-OD1 3.34Å; M1031-R1052 VanDerWaalsContact O-CB 3.22Å; M1031-R1052 WeakPolarHBondContact O-CB 3.37Å; M1031-R1052 PolarHBondContact O-N 3.12Å; M1031-F1053 HydrophobicContact CE-CE2 4.18Å; M1031-F1053 HydrophobicContact SD-CD2 3.75Å; M1031-F1053 HydrophobicContact SD-CE2 3.99Å; M1031-C1060 HydrophobicContact CB-CB 3.58Å; M1031-A1062 HydrophobicContact SD-CB 4.05Å
1032	C	85.8	Confident	80.2	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.02	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-78.4	152.2	176.6	-52.8	0	0	0	0	112.6	S1029 T1038 C1047	S1029-C1032 WeakPolarHBondContact O-CB 3.47Å; S1029-C1032 PolarHBondContact O-N 2.96Å; S1029-C1032 PolarHBondContact O-SG 2.91Å; S1029-C1032 VanDerWaalsContact O-SG 3.37Å; C1032-T1038 HydrophobicContact CB-CG2 3.53Å; C1032-C1047 WeakPolarHBondContact CA-SG 3.43Å; C1032-C1047 HydrophobicContact CB-CB 3.7Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.38Å; C1032-C1047 WeakPolarHBondContact SG-CA 3.27Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.43Å; C1032-C1047 CovalentContact SG-SG 2.03Å; C1032-C1047 PolarHBondContact SG-SG 2.95Å
1033	S	80.7	Confident	81.1	Confident	33 Å²	33	58.1 Å²	58.1	23%	0.231	30%	0.299	C	S	.	.			trans	-80.7	120.8	171.7	178	0	0	0	0	110.8	Q1035 L1050	S1033-Q1035 PolarHBondContact O-N 3.44Å; S1033-Q1035 VanDerWaalsContact O-N 3.09Å; S1033-Q1035 PolarHBondContact OG-NE2 2.84Å; S1033-L1050 WeakPolarHBondContact CB-O 3.43Å; S1033-L1050 PolarHBondContact N-O 2.64Å
1034	L	77.8	Confident	81.7	Confident	113 Å²	113	58.4 Å²	58.4	59%	0.592	30%	0.295	S	S	*	.			trans	-60.8	109.1	178.5	-69.6	169.1	0	0	0	111.7
1035	Q	69.6	Low	82	Confident	103 Å²	103	58.5 Å²	58.5	48%	0.481	30%	0.297	S	S	.	.	S	Bend	trans	-147	170.7	178.3	-59.4	-174.3	25.8	0	0	108.7	S1033 Q1037 T1038	S1033-Q1035 PolarHBondContact O-N 3.44Å; S1033-Q1035 VanDerWaalsContact O-N 3.09Å; S1033-Q1035 PolarHBondContact OG-NE2 2.84Å; Q1035-Q1037 PolarHBondContact O-N 3.45Å; Q1035-T1038 PolarHBondContact N-OG1 2.89Å; Q1035-T1038 PolarHBondContact O-N 2.8Å; Q1035-T1038 PolarHBondContact O-OG1 2.81Å
1036	N	65.6	Low	82.2	Confident	123 Å²	123	60.1 Å²	60.1	66%	0.658	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	133.6	168.1	-83.4	32.5	0	0	0	109
1037	Q	73.6	Confident	82.4	Confident	124 Å²	124	56.6 Å²	56.6	58%	0.579	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	57	-168.4	-61.8	178.3	-11.7	0	0	112.5	E958 Q1035 C1039 I1048	E958-Q1037 HydrophobicContact CB-CG 4.44Å; E958-Q1037 HydrophobicContact CG-CG 3.84Å; Q1035-Q1037 PolarHBondContact O-N 3.45Å; Q1037-C1039 VanDerWaalsContact C-N 3.26Å; Q1037-C1039 PolarHBondContact O-N 2.83Å; Q1037-I1048 HydrophobicContact CB-CD1 4.35Å; Q1037-I1048 VanDerWaalsContact O-CB 3.31Å; Q1037-I1048 WeakPolarHBondContact O-CB 3.11Å; Q1037-I1048 WeakPolarHBondContact O-CD1 3.05Å
1038	T	80.5	Confident	82.2	Confident	3 Å²	3	56 Å²	56	2%	0.018	29%	0.291	C	S	.	.			trans	-55.3	-31.9	-179.6	-59	0	0	0	0	114.8	G962 C1028 C1032 Q1035 I1048	G962-T1038 PolarHBondContact N-OG1 3.16Å; C1028-T1038 HydrophobicContact CB-CG2 3.83Å; C1028-T1038 VanDerWaalsContact SG-CB 3.57Å; C1032-T1038 HydrophobicContact CB-CG2 3.53Å; Q1035-T1038 PolarHBondContact N-OG1 2.89Å; Q1035-T1038 PolarHBondContact O-N 2.8Å; Q1035-T1038 PolarHBondContact O-OG1 2.81Å; T1038-I1048 PolarHBondContact O-N 2.92Å
1039	C	87.4	Confident	81.7	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.034	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-157.4	169.8	-177.2	69.1	0	0	0	0	111.4	Y964 C1028 Q1037 G1041 Q1046	Y964-C1039 WeakPolarHBondContact CB-O 3.2Å; Y964-C1039 WeakPolarHBondContact CD1-SG 3.48Å; C1028-C1039 WeakPolarHBondContact CA-SG 3.34Å; C1028-C1039 HydrophobicContact CB-CB 3.69Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.43Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.07Å; C1028-C1039 PolarHBondContact SG-N 2.94Å; C1028-C1039 CovalentContact SG-SG 2.02Å; C1028-C1039 PolarHBondContact SG-SG 2.81Å; Q1037-C1039 VanDerWaalsContact C-N 3.26Å; Q1037-C1039 PolarHBondContact O-N 2.83Å; C1039-G1041 WeakPolarHBondContact CB-O 3.4Å; C1039-G1041 PolarHBondContact SG-O 2.86Å; C1039-Q1046 VanDerWaalsContact CA-O 3.3Å; C1039-Q1046 WeakPolarHBondContact CA-O 3.47Å; C1039-Q1046 VanDerWaalsContact CB-O 3.27Å; C1039-Q1046 WeakPolarHBondContact CB-O 3.22Å
1040	Y	86.4	Confident	81.2	Confident	133 Å²	133	63.2 Å²	63.2	52%	0.522	34%	0.34	S	S	.	.	S	Bend	trans	-115.2	7.4	169.6	59.7	-94.9	0	0	0	113.5	D1045 Q1046 I1048	Y1040-D1045 PolarHBondContact OH-O 3.11Å; Y1040-Q1046 WeakPolarHBondContact CD1-O 3.44Å; Y1040-Q1046 HydrophobicContact CD2-CB 4.21Å; Y1040-Q1046 HydrophobicContact CD2-CG 4.4Å; Y1040-Q1046 HydrophobicContact CE1-CB 4.47Å; Y1040-Q1046 WeakPolarHBondContact CE1-O 3.43Å; Y1040-Q1046 HydrophobicContact CE2-CB 3.88Å; Y1040-Q1046 HydrophobicContact CE2-CG 3.77Å; Y1040-Q1046 PolarHBondContact N-O 2.97Å; Y1040-I1048 HydrophobicContact CD1-CD1 4.13Å; Y1040-I1048 HydrophobicContact CD1-CG1 3.74Å; Y1040-I1048 HydrophobicContact CE1-CG1 4.44Å
1041	G	84.2	Confident	81.2	Confident	4 Å²	4	59.6 Å²	59.6	4%	0.041	32%	0.322	C	S	.	.	S	Bend	trans	-174.2	167.4	-176.6	0	0	0	0	0	110.3	C1039 N1043 Q1046	C1039-G1041 WeakPolarHBondContact CB-O 3.4Å; C1039-G1041 PolarHBondContact SG-O 2.86Å; G1041-N1043 PolarHBondContact O-N 3.12Å; G1041-Q1046 VanDerWaalsContact CA-OE1 3.23Å
1042	P	81.9	Confident	81.1	Confident	64 Å²	64	63.1 Å²	63.1	42%	0.416	33%	0.333	S	S	.	.	S	Bend	trans	-78.7	-17.3	-169.4	32.5	-34.6	0	0	0	113.9	Y964 S1029	Y964-P1042 WeakPolarHBondContact OH-CD 3.16Å; S1029-P1042 WeakPolarHBondContact CB-O 3.32Å; S1029-P1042 PolarHBondContact N-O 2.82Å
1043	N	80.4	Confident	81.1	Confident	84 Å²	84	67 Å²	67	45%	0.449	35%	0.35	S	S	.	.	S	Bend	trans	-82.2	161.8	-168.1	-60.3	-15.2	0	0	0	113.9	G1041 D1045 Q1046	G1041-N1043 PolarHBondContact O-N 3.12Å; N1043-D1045 WeakPolarHBondContact CB-OD1 3.27Å; N1043-D1045 PolarHBondContact O-N 2.9Å; N1043-Q1046 HydrophobicContact CB-CG 4.1Å; N1043-Q1046 VanDerWaalsContact N-OE1 3.08Å; N1043-Q1046 PolarHBondContact O-N 3.14Å
1044	D	85.1	Confident	81.3	Confident	47 Å²	47	66 Å²	66	25%	0.251	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-26.1	177	-75.8	-17.3	0	0	0	114.6	S1029 M1031 F1059 C1060	S1029-D1044 WeakPolarHBondContact CB-OD1 3.23Å; S1029-D1044 PolarHBondContact OG-OD1 3.1Å; M1031-D1044 VanDerWaalsContact CG-OD1 3.25Å; M1031-D1044 WeakPolarHBondContact CG-OD1 3.34Å; D1044-F1059 HydrophobicContact CB-CB 4.24Å; D1044-F1059 HydrophobicContact CB-CD1 4.31Å; D1044-C1060 WeakPolarHBondContact CB-O 3.47Å; D1044-C1060 VanDerWaalsContact CG-O 3.3Å; D1044-C1060 WeakPolarHBondContact O-CB 3.29Å; D1044-C1060 PolarHBondContact O-N 3.35Å
1045	D	85.5	Confident	81.7	Confident	53 Å²	53	62.6 Å²	62.6	28%	0.283	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.4	175.7	59.3	-59.2	0	0	0	114.1	Y1040 N1043 P1058 F1059	Y1040-D1045 PolarHBondContact OH-O 3.11Å; N1043-D1045 WeakPolarHBondContact CB-OD1 3.27Å; N1043-D1045 PolarHBondContact O-N 2.9Å; D1045-P1058 HydrophobicContact CB-CB 4.13Å; D1045-F1059 HydrophobicContact CB-CD1 3.62Å; D1045-F1059 HydrophobicContact CB-CE1 3.84Å; D1045-F1059 HydrophobicContact CB-CG 4.37Å
1046	Q	89.6	Confident	82.6	Confident	42 Å²	42	57.7 Å²	57.7	20%	0.196	30%	0.3	C	S	.	.			trans	-104.5	6.4	-171.9	-61.3	174.9	-32.6	0	0	113.2	C1039 Y1040 G1041 N1043	C1039-Q1046 VanDerWaalsContact CA-O 3.3Å; C1039-Q1046 WeakPolarHBondContact CA-O 3.47Å; C1039-Q1046 VanDerWaalsContact CB-O 3.27Å; C1039-Q1046 WeakPolarHBondContact CB-O 3.22Å; Y1040-Q1046 WeakPolarHBondContact CD1-O 3.44Å; Y1040-Q1046 HydrophobicContact CD2-CB 4.21Å; Y1040-Q1046 HydrophobicContact CD2-CG 4.4Å; Y1040-Q1046 HydrophobicContact CE1-CB 4.47Å; Y1040-Q1046 WeakPolarHBondContact CE1-O 3.43Å; Y1040-Q1046 HydrophobicContact CE2-CB 3.88Å; Y1040-Q1046 HydrophobicContact CE2-CG 3.77Å; Y1040-Q1046 PolarHBondContact N-O 2.97Å; G1041-Q1046 VanDerWaalsContact CA-OE1 3.23Å; N1043-Q1046 HydrophobicContact CB-CG 4.1Å; N1043-Q1046 VanDerWaalsContact N-OE1 3.08Å; N1043-Q1046 PolarHBondContact O-N 3.14Å
1047	C	87.2	Confident	83.5	Confident	18 Å²	18	53.4 Å²	53.4	12%	0.122	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-60.8	139.1	168.8	-57.7	0	0	0	0	111.6	C1032	C1032-C1047 WeakPolarHBondContact CA-SG 3.43Å; C1032-C1047 HydrophobicContact CB-CB 3.7Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.38Å; C1032-C1047 WeakPolarHBondContact SG-CA 3.27Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.43Å; C1032-C1047 CovalentContact SG-SG 2.03Å; C1032-C1047 PolarHBondContact SG-SG 2.95Å
1048	I	79.4	Confident	84	Confident	69 Å²	69	50.8 Å²	50.8	35%	0.354	28%	0.278	S	S	.	.	S	Bend	trans	-95	126.5	172.4	-68	170.1	0	0	0	108.2	Q1037 T1038 Y1040	Q1037-I1048 HydrophobicContact CB-CD1 4.35Å; Q1037-I1048 VanDerWaalsContact O-CB 3.31Å; Q1037-I1048 WeakPolarHBondContact O-CB 3.11Å; Q1037-I1048 WeakPolarHBondContact O-CD1 3.05Å; T1038-I1048 PolarHBondContact O-N 2.92Å; Y1040-I1048 HydrophobicContact CD1-CD1 4.13Å; Y1040-I1048 HydrophobicContact CD1-CG1 3.74Å; Y1040-I1048 HydrophobicContact CE1-CG1 4.44Å
1049	G	75.5	Confident	84.3	Confident	60 Å²	60	53.1 Å²	53.1	62%	0.619	29%	0.288	S	S	*	.	S	Bend	trans	89.9	-134.8	179.6	0	0	0	0	0	113.5
1050	L	76.3	Confident	84.3	Confident	120 Å²	120	53.1 Å²	53.1	63%	0.628	29%	0.288	S	S	*	.	S	Bend	trans	-97.2	143.4	-174.7	-69.4	173.1	0	0	0	112	S1033	S1033-L1050 WeakPolarHBondContact CB-O 3.43Å; S1033-L1050 PolarHBondContact N-O 2.64Å
1051	C	85.6	Confident	84.2	Confident	8 Å²	8	49.1 Å²	49.1	5%	0.054	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-65.3	143.5	171.7	-57.6	0	0	0	0	111.9	F1053 V1054 Q1055 C1060	C1051-F1053 PolarHBondContact O-N 2.87Å; C1051-V1054 VanDerWaalsContact CB-O 3.26Å; C1051-V1054 WeakPolarHBondContact CB-O 3.33Å; C1051-Q1055 HydrophobicContact CB-CB 4.37Å; C1051-Q1055 VanDerWaalsContact SG-CB 3.53Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.27Å; C1051-C1060 HydrophobicContact CB-CB 3.58Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.46Å; C1051-C1060 WeakPolarHBondContact SG-CA 3.46Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.36Å; C1051-C1060 CovalentContact SG-SG 2.03Å; C1051-C1060 PolarHBondContact SG-SG 3.2Å
1052	R	84.7	Confident	83.9	Confident	117 Å²	117	51.2 Å²	51.2	44%	0.442	29%	0.289	S	S	.	.	S	Bend	trans	-58.8	-47.3	178.5	-172.4	177.5	-176	173.1	2.4	111.8	D1030 M1031 K1075	D1030-R1052 WeakPolarHBondContact O-CD 3.32Å; D1030-R1052 PolarHBondContact O-NH1 3.11Å; M1031-R1052 VanDerWaalsContact O-CB 3.22Å; M1031-R1052 WeakPolarHBondContact O-CB 3.37Å; M1031-R1052 PolarHBondContact O-N 3.12Å; R1052-K1075 PolarHBondContact O-NZ 2.04Å
1053	F	85.5	Confident	83.5	Confident	85 Å²	85	56.8 Å²	56.8	37%	0.373	30%	0.303	S	S	.	.	S	Bend	trans	-104.6	-83.5	-179.1	-51.5	-78.7	0	0	0	111	M1031 C1051 R1061 A1062 K1075	M1031-F1053 HydrophobicContact CE-CE2 4.18Å; M1031-F1053 HydrophobicContact SD-CD2 3.75Å; M1031-F1053 HydrophobicContact SD-CE2 3.99Å; C1051-F1053 PolarHBondContact O-N 2.87Å; F1053-R1061 WeakPolarHBondContact CB-O 3.31Å; F1053-A1062 HydrophobicContact CD2-CB 4.4Å; F1053-K1075 VanDerWaalsContact O-CD 3.27Å; F1053-K1075 WeakPolarHBondContact O-CD 3.26Å; F1053-K1075 VanDerWaalsContact O-CE 3.29Å; F1053-K1075 WeakPolarHBondContact O-CE 3.48Å; F1053-K1075 PolarHBondContact O-NZ 3.09Å
1054	V	85.3	Confident	83	Confident	11 Å²	11	53.7 Å²	53.7	7%	0.067	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167.6	178.3	-58.9	0	0	0	0	112.6	C1051 C1060 R1061 T1070 K1075	C1051-V1054 VanDerWaalsContact CB-O 3.26Å; C1051-V1054 WeakPolarHBondContact CB-O 3.33Å; V1054-C1060 CarbonylContact O-C 3.28Å; V1054-C1060 WeakPolarHBondContact O-CA 3.41Å; V1054-R1061 HydrophobicContact CG2-CB 4.12Å; V1054-R1061 WeakPolarHBondContact CG2-O 3.23Å; V1054-R1061 PolarHBondContact N-O 2.84Å; V1054-R1061 PolarHBondContact O-N 2.81Å; V1054-R1061 VanDerWaalsContact O-O 3.13Å; V1054-T1070 HydrophobicContact CB-CG2 4.42Å; V1054-T1070 HydrophobicContact CG1-CG2 3.46Å; V1054-T1070 VanDerWaalsContact CG1-CG2 3.46Å; V1054-K1075 CarbonylContact C-O 3.45Å; V1054-K1075 WeakPolarHBondContact CA-O 3.49Å; V1054-K1075 VanDerWaalsContact CB-O 3.31Å; V1054-K1075 WeakPolarHBondContact CB-O 3.32Å
1055	Q	86.8	Confident	82.1	Confident	42 Å²	42	51.8 Å²	51.8	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.4	176.2	-169.6	176	33.7	0	0	111.8	C1051 G1057 P1058 F1059 K1075 K1076 C1077	C1051-Q1055 HydrophobicContact CB-CB 4.37Å; C1051-Q1055 VanDerWaalsContact SG-CB 3.53Å; Q1055-G1057 WeakPolarHBondContact CG-O 3.42Å; Q1055-P1058 PolarHBondContact NE2-O 3.19Å; Q1055-F1059 CarbonylContact C-O 3.58Å; Q1055-F1059 WeakPolarHBondContact CA-O 3.49Å; Q1055-K1075 PolarHBondContact N-O 3.21Å; Q1055-K1076 HydrophobicContact CB-CG 4.29Å; Q1055-K1076 CarbonylContact O-C 3.57Å; Q1055-K1076 VanDerWaalsContact O-CA 3.29Å; Q1055-K1076 WeakPolarHBondContact O-CA 3.28Å; Q1055-C1077 PolarHBondContact O-N 3.15Å
1056	D	87.6	Confident	80.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	93.8	-179.4	-178.3	37.6	0	0	0	110.5	Y628 F633 F1059 R1061 K1068 C1077	Y628-D1056 VanDerWaalsContact OH-CG 3.24Å; Y628-D1056 PolarHBondContact OH-OD1 2.72Å; Y628-D1056 PolarHBondContact OH-OD2 2.78Å; F633-D1056 WeakPolarHBondContact CD1-OD1 3.45Å; D1056-F1059 PolarHBondContact N-O 3.25Å; D1056-F1059 PolarHBondContact O-N 3.34Å; D1056-R1061 HydrophobicContact CB-CG 3.96Å; D1056-R1061 IonicContact OD2-CZ 2.67Å; D1056-R1061 IonicContact OD2-NE 2.67Å; D1056-R1061 PolarHBondContact OD2-NE 3.49Å; D1056-K1068 WeakPolarHBondContact OD1-CD 3.37Å; D1056-K1068 IonicContact OD1-NZ 2.73Å; D1056-K1068 PolarHBondContact OD1-NZ 2.94Å; D1056-C1077 HydrophobicContact CB-CB 4.08Å
1057	G	84.1	Confident	79.1	Confident	32 Å²	32	55.9 Å²	55.9	33%	0.33	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-125.8	-169.8	0	0	0	0	0	110.3	F633 Q1055	F633-G1057 VanDerWaalsContact CD1-CA 3.45Å; F633-G1057 VanDerWaalsContact CE1-CA 3.48Å; Q1055-G1057 WeakPolarHBondContact CG-O 3.42Å
1058	P	85.2	Confident	78	Confident	69 Å²	69	55.7 Å²	55.7	45%	0.448	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-32.4	171.4	31.8	-32.4	0	0	0	112.4	D1045 Q1055	D1045-P1058 HydrophobicContact CB-CB 4.13Å; Q1055-P1058 PolarHBondContact NE2-O 3.19Å
1059	F	87.5	Confident	77.1	Confident	53 Å²	53	54.8 Å²	54.8	23%	0.232	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	136.5	-169.5	-54.3	-77.5	0	0	0	113.4	F633 D1044 D1045 Q1055 D1056	F633-F1059 HydrophobicContact CB-CD2 4.11Å; F633-F1059 HydrophobicContact CB-CE2 4.18Å; D1044-F1059 HydrophobicContact CB-CB 4.24Å; D1044-F1059 HydrophobicContact CB-CD1 4.31Å; D1045-F1059 HydrophobicContact CB-CD1 3.62Å; D1045-F1059 HydrophobicContact CB-CE1 3.84Å; D1045-F1059 HydrophobicContact CB-CG 4.37Å; Q1055-F1059 CarbonylContact C-O 3.58Å; Q1055-F1059 WeakPolarHBondContact CA-O 3.49Å; D1056-F1059 PolarHBondContact N-O 3.25Å; D1056-F1059 PolarHBondContact O-N 3.34Å
1060	C	87.4	Confident	76.8	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.027	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.8	160.9	-62.7	0	0	0	0	111.1	M1031 D1044 C1051 V1054	M1031-C1060 HydrophobicContact CB-CB 3.58Å; D1044-C1060 WeakPolarHBondContact CB-O 3.47Å; D1044-C1060 VanDerWaalsContact CG-O 3.3Å; D1044-C1060 WeakPolarHBondContact O-CB 3.29Å; D1044-C1060 PolarHBondContact O-N 3.35Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.27Å; C1051-C1060 HydrophobicContact CB-CB 3.58Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.46Å; C1051-C1060 WeakPolarHBondContact SG-CA 3.46Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.36Å; C1051-C1060 CovalentContact SG-SG 2.03Å; C1051-C1060 PolarHBondContact SG-SG 3.2Å; V1054-C1060 CarbonylContact O-C 3.28Å; V1054-C1060 WeakPolarHBondContact O-CA 3.41Å
1061	R	83.4	Confident	76.3	Confident	49 Å²	49	49.9 Å²	49.9	19%	0.185	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.8	177.7	-60.1	-162.1	177.8	-62.9	-1.8	111	F633 F1053 V1054 D1056 Y1063	F633-R1061 PolarHBondContact O-NH2 2.94Å; F1053-R1061 WeakPolarHBondContact CB-O 3.31Å; V1054-R1061 HydrophobicContact CG2-CB 4.12Å; V1054-R1061 WeakPolarHBondContact CG2-O 3.23Å; V1054-R1061 PolarHBondContact N-O 2.84Å; V1054-R1061 PolarHBondContact O-N 2.81Å; V1054-R1061 VanDerWaalsContact O-O 3.13Å; D1056-R1061 HydrophobicContact CB-CG 3.96Å; D1056-R1061 IonicContact OD2-CZ 2.67Å; D1056-R1061 IonicContact OD2-NE 2.67Å; D1056-R1061 PolarHBondContact OD2-NE 3.49Å; R1061-Y1063 WeakPolarHBondContact CB-O 3.48Å
1062	A	77.4	Confident	75.1	Confident	49 Å²	49	54.1 Å²	54.1	41%	0.405	29%	0.286	S	S	.	.	S	Bend	trans	-70.1	-34.1	173.5	0	0	0	0	0	113	M1031 F1053	M1031-A1062 HydrophobicContact SD-CB 4.05Å; F1053-A1062 HydrophobicContact CD2-CB 4.4Å
1063	Y	74.4	Confident	74.1	Confident	181 Å²	181	55.7 Å²	55.7	71%	0.71	30%	0.302	S	S	*	.	S	Bend	trans	-150.4	161.4	-179.6	48.2	-97	0	0	0	110.4	R1061	R1061-Y1063 WeakPolarHBondContact CB-O 3.48Å
1064	C	70.5	Confident	73.8	Confident	19 Å²	19	54.8 Å²	54.8	13%	0.128	30%	0.303	C	S	.	.			trans	-80	149.5	177.5	-66	0	0	0	0	112.3	K1068 T1070 C1077	C1064-K1068 HydrophobicContact CB-CB 4.32Å; C1064-T1070 PolarHBondContact SG-OG1 2.89Å; C1064-C1077 WeakPolarHBondContact CA-SG 3.45Å; C1064-C1077 HydrophobicContact CB-CB 3.81Å; C1064-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1064-C1077 WeakPolarHBondContact SG-CA 2.99Å; C1064-C1077 WeakPolarHBondContact SG-CB 3.3Å; C1064-C1077 CovalentContact SG-SG 2.04Å; C1064-C1077 PolarHBondContact SG-SG 2.02Å
1065	P	66.1	Low	73.5	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.039	32%	0.32	C	S	.	.			trans	-60.4	154.2	174.5	-23.1	32.8	0	0	0	113	Y628 N1067 K1068	Y628-P1065 HydrophobicContact CD1-CB 4.2Å; Y628-P1065 HydrophobicContact CD2-CB 3.91Å; Y628-P1065 HydrophobicContact CD2-CG 3.85Å; Y628-P1065 HydrophobicContact CE1-CB 4.2Å; Y628-P1065 HydrophobicContact CE1-CG 4.1Å; Y628-P1065 HydrophobicContact CE2-CB 3.91Å; Y628-P1065 HydrophobicContact CE2-CG 3.35Å; Y628-P1065 HydrophobicContact CG-CB 4.04Å; Y628-P1065 HydrophobicContact CG-CG 4.4Å; Y628-P1065 VanDerWaalsContact CZ-CG 3.49Å; P1065-N1067 PolarHBondContact O-N 2.97Å; P1065-K1068 HydrophobicContact CG-CD 4.21Å; P1065-K1068 PolarHBondContact O-N 2.89Å
1066	P	55.1	Low	73.2	Confident	109 Å²	109	61.4 Å²	61.4	71%	0.708	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-21.1	-173.3	-28.2	35.5	0	0	0	116.7
1067	N	57	Low	72.9	Confident	73 Å²	73	62.1 Å²	62.1	39%	0.39	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	12.5	178	-68	-48.6	0	0	0	113.4	P1065 C1080	P1065-N1067 PolarHBondContact O-N 2.97Å; N1067-C1080 WeakPolarHBondContact O-CB 3.01Å; N1067-C1080 PolarHBondContact O-N 2.87Å
1068	K	63.8	Low	72.2	Confident	14 Å²	14	64.7 Å²	64.7	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.9	-178.8	-70.6	176.9	171.2	175	0	110.6	Y628 D1056 C1064 P1065 C1077 M1078 E1079	Y628-K1068 PolarHBondContact OH-NZ 3.01Å; D1056-K1068 WeakPolarHBondContact OD1-CD 3.37Å; D1056-K1068 IonicContact OD1-NZ 2.73Å; D1056-K1068 PolarHBondContact OD1-NZ 2.94Å; C1064-K1068 HydrophobicContact CB-CB 4.32Å; P1065-K1068 HydrophobicContact CG-CD 4.21Å; P1065-K1068 PolarHBondContact O-N 2.89Å; K1068-C1077 HydrophobicContact CB-CB 4.2Å; K1068-C1077 HydrophobicContact CD-CB 4.06Å; K1068-M1078 CarbonylContact C-O 3.4Å; K1068-M1078 WeakPolarHBondContact CA-O 3.27Å; K1068-M1078 VanDerWaalsContact CB-O 3.29Å; K1068-M1078 WeakPolarHBondContact CB-O 3.45Å; K1068-E1079 WeakPolarHBondContact CE-OE1 3.12Å; K1068-E1079 IonicContact NZ-OE1 3.3Å
1069	Y	60.4	Low	71.2	Confident	49 Å²	49	65.4 Å²	65.4	19%	0.192	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152.8	173.5	67.2	-89.1	0	0	0	111	D1071 C1077 M1078 T1115 G1116 S1117	Y1069-D1071 PolarHBondContact O-N 3.13Å; Y1069-C1077 CarbonylContact O-C 2.83Å; Y1069-C1077 WeakPolarHBondContact O-CA 3.41Å; Y1069-M1078 HydrophobicContact CD1-CB 4.28Å; Y1069-M1078 WeakPolarHBondContact CD1-O 3.48Å; Y1069-M1078 HydrophobicContact CD2-CB 4.43Å; Y1069-M1078 HydrophobicContact CE1-CB 3.77Å; Y1069-M1078 HydrophobicContact CE2-CB 3.93Å; Y1069-M1078 HydrophobicContact CE2-CG 4.4Å; Y1069-M1078 HydrophobicContact CE2-SD 4.47Å; Y1069-M1078 PolarHBondContact N-O 3.2Å; Y1069-M1078 PolarHBondContact O-N 3.39Å; Y1069-T1115 WeakPolarHBondContact CE1-O 3.38Å; Y1069-G1116 VanDerWaalsContact CD1-CA 3.47Å; Y1069-G1116 VanDerWaalsContact CG-CA 3.45Å; Y1069-S1117 WeakPolarHBondContact CD2-OG 3.37Å
1070	T	68.3	Low	69.4	Low	49 Å²	49	64.5 Å²	64.5	30%	0.301	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122	173.1	-47.9	0	0	0	0	109.8	V1054 C1064 P1072 S1117	V1054-T1070 HydrophobicContact CB-CG2 4.42Å; V1054-T1070 HydrophobicContact CG1-CG2 3.46Å; V1054-T1070 VanDerWaalsContact CG1-CG2 3.46Å; C1064-T1070 PolarHBondContact SG-OG1 2.89Å; T1070-P1072 VanDerWaalsContact O-CD 3.31Å; T1070-P1072 WeakPolarHBondContact O-CD 3.41Å; T1070-S1117 WeakPolarHBondContact O-CB 3.28Å; T1070-S1117 PolarHBondContact O-OG 2.86Å
1071	D	67.1	Low	67.4	Low	28 Å²	28	66.1 Å²	66.1	15%	0.15	35%	0.348	C	S	.	.			trans	-66.9	115.3	159.1	167	24.2	0	0	0	108.7	Y1069 I1073 T1074 K1075 K1076 M1078	Y1069-D1071 PolarHBondContact O-N 3.13Å; D1071-I1073 PolarHBondContact O-N 2.76Å; D1071-I1073 WeakPolarHBondContact OD1-CB 3.41Å; D1071-I1073 PolarHBondContact OD1-N 3.12Å; D1071-T1074 VanDerWaalsContact OD2-CB 3.22Å; D1071-T1074 WeakPolarHBondContact OD2-CB 3.33Å; D1071-T1074 VanDerWaalsContact OD2-CG2 3.26Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 2.97Å; D1071-T1074 PolarHBondContact OD2-N 3.02Å; D1071-T1074 PolarHBondContact OD2-OG1 3.33Å; D1071-K1075 WeakPolarHBondContact O-CA 3.48Å; D1071-K1075 PolarHBondContact O-N 2.64Å; D1071-K1076 PolarHBondContact N-O 3.46Å; D1071-M1078 HydrophobicContact CB-CG 4.18Å; D1071-M1078 HydrophobicContact CB-SD 4.16Å
1072	P	58.9	Low	65.6	Low	97 Å²	97	68.9 Å²	68.9	63%	0.63	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.5	-177.8	29.1	-36.2	0	0	0	113.4	T1070	T1070-P1072 VanDerWaalsContact O-CD 3.31Å; T1070-P1072 WeakPolarHBondContact O-CD 3.41Å
1073	I	64.4	Low	63.8	Low	150 Å²	150	70.3 Å²	70.3	77%	0.769	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-56.2	-179.5	-57.3	177.4	0	0	0	110.8	D1071	D1071-I1073 PolarHBondContact O-N 2.76Å; D1071-I1073 WeakPolarHBondContact OD1-CB 3.41Å; D1071-I1073 PolarHBondContact OD1-N 3.12Å
1074	T	78.6	Confident	61.8	Low	66 Å²	66	62.6 Å²	62.6	41%	0.405	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.4	-178.6	66.2	0	0	0	0	114.3	D1071 K1076	D1071-T1074 VanDerWaalsContact OD2-CB 3.22Å; D1071-T1074 WeakPolarHBondContact OD2-CB 3.33Å; D1071-T1074 VanDerWaalsContact OD2-CG2 3.26Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 2.97Å; D1071-T1074 PolarHBondContact OD2-N 3.02Å; D1071-T1074 PolarHBondContact OD2-OG1 3.33Å; T1074-K1076 PolarHBondContact O-N 3.44Å; T1074-K1076 WeakPolarHBondContact OG1-CB 3.45Å; T1074-K1076 WeakPolarHBondContact OG1-CG 3.3Å; T1074-K1076 PolarHBondContact OG1-N 3.33Å
1075	K	78.5	Confident	59.9	Low	94 Å²	94	65.9 Å²	65.9	41%	0.409	37%	0.371	S	S	.	.			trans	57.9	18.9	-167.9	-71.9	179.1	146.1	-163.1	0	114.1	R1052 F1053 V1054 Q1055 D1071	R1052-K1075 PolarHBondContact O-NZ 2.04Å; F1053-K1075 VanDerWaalsContact O-CD 3.27Å; F1053-K1075 WeakPolarHBondContact O-CD 3.26Å; F1053-K1075 VanDerWaalsContact O-CE 3.29Å; F1053-K1075 WeakPolarHBondContact O-CE 3.48Å; F1053-K1075 PolarHBondContact O-NZ 3.09Å; V1054-K1075 CarbonylContact C-O 3.45Å; V1054-K1075 WeakPolarHBondContact CA-O 3.49Å; V1054-K1075 VanDerWaalsContact CB-O 3.31Å; V1054-K1075 WeakPolarHBondContact CB-O 3.32Å; Q1055-K1075 PolarHBondContact N-O 3.21Å; D1071-K1075 WeakPolarHBondContact O-CA 3.48Å; D1071-K1075 PolarHBondContact O-N 2.64Å
1076	K	82	Confident	58.1	Low	99 Å²	99	71 Å²	71	43%	0.43	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-91.4	144.7	-179.3	-64.6	-173.9	175.6	-159.9	0	112.3	Q1055 D1071 T1074	Q1055-K1076 HydrophobicContact CB-CG 4.29Å; Q1055-K1076 CarbonylContact O-C 3.57Å; Q1055-K1076 VanDerWaalsContact O-CA 3.29Å; Q1055-K1076 WeakPolarHBondContact O-CA 3.28Å; D1071-K1076 PolarHBondContact N-O 3.46Å; T1074-K1076 PolarHBondContact O-N 3.44Å; T1074-K1076 WeakPolarHBondContact OG1-CB 3.45Å; T1074-K1076 WeakPolarHBondContact OG1-CG 3.3Å; T1074-K1076 PolarHBondContact OG1-N 3.33Å
1077	C	80.3	Confident	56.8	Low	14 Å²	14	71.9 Å²	71.9	10%	0.095	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	118.8	173	-59.4	0	0	0	0	110.4	Q1055 D1056 C1064 K1068 Y1069	Q1055-C1077 PolarHBondContact O-N 3.15Å; D1056-C1077 HydrophobicContact CB-CB 4.08Å; C1064-C1077 WeakPolarHBondContact CA-SG 3.45Å; C1064-C1077 HydrophobicContact CB-CB 3.81Å; C1064-C1077 WeakPolarHBondContact CB-SG 3.47Å; C1064-C1077 WeakPolarHBondContact SG-CA 2.99Å; C1064-C1077 WeakPolarHBondContact SG-CB 3.3Å; C1064-C1077 CovalentContact SG-SG 2.04Å; C1064-C1077 PolarHBondContact SG-SG 2.02Å; K1068-C1077 HydrophobicContact CB-CB 4.2Å; K1068-C1077 HydrophobicContact CD-CB 4.06Å; Y1069-C1077 CarbonylContact O-C 2.83Å; Y1069-C1077 WeakPolarHBondContact O-CA 3.41Å
1078	M	70.6	Confident	55.3	Low	87 Å²	87	71.2 Å²	71.2	43%	0.429	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.2	180	-62.4	-155.5	74.2	0	0	111.2	K1068 Y1069 D1071 C1080	K1068-M1078 CarbonylContact C-O 3.4Å; K1068-M1078 WeakPolarHBondContact CA-O 3.27Å; K1068-M1078 VanDerWaalsContact CB-O 3.29Å; K1068-M1078 WeakPolarHBondContact CB-O 3.45Å; Y1069-M1078 HydrophobicContact CD1-CB 4.28Å; Y1069-M1078 WeakPolarHBondContact CD1-O 3.48Å; Y1069-M1078 HydrophobicContact CD2-CB 4.43Å; Y1069-M1078 HydrophobicContact CE1-CB 3.77Å; Y1069-M1078 HydrophobicContact CE2-CB 3.93Å; Y1069-M1078 HydrophobicContact CE2-CG 4.4Å; Y1069-M1078 HydrophobicContact CE2-SD 4.47Å; Y1069-M1078 PolarHBondContact N-O 3.2Å; Y1069-M1078 PolarHBondContact O-N 3.39Å; D1071-M1078 HydrophobicContact CB-CG 4.18Å; D1071-M1078 HydrophobicContact CB-SD 4.16Å; M1078-C1080 PolarHBondContact O-N 2.78Å
1079	E	62.8	Low	53.4	Low	83 Å²	83	78.3 Å²	78.3	39%	0.388	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	130.2	177.9	-76.9	-78.3	135.4	0	0	112.5	K630 K1068	K630-E1079 WeakPolarHBondContact CD-OE2 3.37Å; K630-E1079 VanDerWaalsContact CE-OE2 3.25Å; K630-E1079 WeakPolarHBondContact CE-OE2 3.13Å; K630-E1079 IonicContact NZ-OE2 3.88Å; K630-E1079 PolarHBondContact NZ-OE2 3.17Å; K1068-E1079 WeakPolarHBondContact CE-OE1 3.12Å; K1068-E1079 IonicContact NZ-OE1 3.3Å
1080	C	50.3	Low	51.7	Low	35 Å²	35	83.6 Å²	83.6	24%	0.236	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-65.3	142.1	163.3	-66.8	0	0	0	0	109.7	N1067 M1078	N1067-C1080 WeakPolarHBondContact O-CB 3.01Å; N1067-C1080 PolarHBondContact O-N 2.87Å; M1078-C1080 PolarHBondContact O-N 2.78Å
1081	S	46.4	Very low	49.6	Very low	37 Å²	37	89.2 Å²	89.2	26%	0.259	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-60.4	143.5	-177.6	179.9	0	0	0	0	112.4	T1083 C1084	S1081-T1083 PolarHBondContact O-N 2.77Å; S1081-T1083 VanDerWaalsContact O-N 3.08Å; S1081-T1083 PolarHBondContact OG-OG1 3.26Å; S1081-C1084 WeakPolarHBondContact O-CB 3.26Å; S1081-C1084 PolarHBondContact O-N 3.07Å; S1081-C1084 PolarHBondContact O-SG 3.16Å
1082	S	43.9	Very low	47.5	Very low	108 Å²	108	95.4 Å²	95.4	76%	0.755	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-7.9	-179.9	54.6	0	0	0	0	114.5	C1084	S1082-C1084 PolarHBondContact O-N 3.41Å
1083	T	39.3	Very low	46	Very low	78 Å²	78	93.8 Å²	93.8	48%	0.479	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	3.3	171.3	-22.4	0	0	0	0	113.1	S1081	S1081-T1083 PolarHBondContact O-N 2.77Å; S1081-T1083 VanDerWaalsContact O-N 3.08Å; S1081-T1083 PolarHBondContact OG-OG1 3.26Å
1084	C	34.4	Very low	44	Very low	19 Å²	19	93.4 Å²	93.4	13%	0.128	55%	0.546	C	S	.	.	S	Bend	trans	-123.9	10.8	-161.7	-50.7	0	0	0	0	114.1	S1081 S1082 C1114 N1123	S1081-C1084 WeakPolarHBondContact O-CB 3.26Å; S1081-C1084 PolarHBondContact O-N 3.07Å; S1081-C1084 PolarHBondContact O-SG 3.16Å; S1082-C1084 PolarHBondContact O-N 3.41Å; C1084-C1114 HydrophobicContact CB-CB 4.09Å; C1084-C1114 WeakPolarHBondContact CB-SG 3.35Å; C1084-C1114 VanDerWaalsContact SG-CA 3.55Å; C1084-C1114 WeakPolarHBondContact SG-CB 3.24Å; C1084-C1114 CovalentContact SG-SG 2.03Å; C1084-C1114 PolarHBondContact SG-SG 3.39Å; C1084-N1123 WeakPolarHBondContact CA-ND2 3.26Å; C1084-N1123 WeakPolarHBondContact CB-ND2 3.04Å; C1084-N1123 PolarHBondContact O-ND2 2.9Å
1085	T	29.2	Very low	41.4	Very low	88 Å²	88	98.5 Å²	98.5	54%	0.54	57%	0.568	S	S	.	*	S	Bend	trans	-82.6	151.6	174	44.2	0	0	0	0	112.2
1086	P	28.6	Very low	38.9	Very low	113 Å²	113	103.2 Å²	103.2	73%	0.734	59%	0.585	S	S	*	*			trans	-64.1	141.4	170.9	28.8	-34.8	0	0	0	110.6	G1088	P1086-G1088 PolarHBondContact O-N 3.37Å; P1086-G1088 VanDerWaalsContact O-N 3.14Å
1087	P	27.2	Very low	36.2	Very low	129 Å²	129	105.3 Å²	105.3	84%	0.838	60%	0.6	S	S	*	*			trans	-78.4	98.6	179.1	30.9	-33.3	0	0	0	111
1088	G	25.5	Very low	33.6	Very low	59 Å²	59	111.5 Å²	111.5	61%	0.608	63%	0.632	S	S	*	*			trans	-79.4	138.2	149.8	0	0	0	0	0	109.6	P1086	P1086-G1088 PolarHBondContact O-N 3.37Å; P1086-G1088 VanDerWaalsContact O-N 3.14Å
1089	D	23.9	Very low	31.4	Very low	163 Å²	163	112.9 Å²	112.9	87%	0.872	64%	0.641	S	S	*	*			trans	43.9	94.2	161.4	-51.7	-29.9	0	0	0	118.5
1090	I	26.2	Very low	29.7	Very low	159 Å²	159	116 Å²	116	82%	0.815	66%	0.66	S	S	*	*			trans	-126.6	102.3	150.1	-59.6	-178.6	0	0	0	108.2
1091	E	23.2	Very low	28.6	Very low	167 Å²	167	121.8 Å²	121.8	78%	0.78	69%	0.688	S	S	*	*			trans	-71.7	161	166.8	-61.7	-173	122.7	0	0	111.2
1092	N	24.3	Very low	27.7	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	72%	0.716	S	S	*	*	S	Bend	trans	59.3	64.8	167.9	-57.5	-45.6	0	0	0	116
1093	G	25.8	Very low	26.9	Very low	63 Å²	63	128.9 Å²	128.9	65%	0.649	71%	0.713	S	S	*	*			trans	-69.8	132.2	171.6	0	0	0	0	0	113.9
1094	N	23.2	Very low	26.3	Very low	143 Å²	143	133.3 Å²	133.3	77%	0.765	73%	0.729	S	S	*	*			trans	179.2	121.2	149.6	-97.1	-35.9	0	0	0	111.4
1095	I	24.6	Very low	26	Very low	172 Å²	172	141.7 Å²	141.7	88%	0.882	76%	0.763	S	S	*	*			trans	-141.9	123.1	163.2	-58.1	-176.8	0	0	0	109.4
1096	Y	24.9	Very low	26.1	Very low	194 Å²	194	142.9 Å²	142.9	76%	0.761	77%	0.765	S	S	*	*			trans	-80.2	176.3	177.9	-78.9	-110.7	0	0	0	111.2
1097	I	26.7	Very low	26	Very low	143 Å²	143	144.9 Å²	144.9	73%	0.733	77%	0.765	S	S	*	*				-177	133.5	69.6	-76.4	173.8	0	0	0	111.8
1098	N	24.3	Very low	26	Very low	144 Å²	144	146 Å²	146	77%	0.77	76%	0.764	S	S	*	*			trans	30.5	130.4	152.4	-68.1	-26.2	0	0	0	124.3	N1100	N1098-N1100 PolarHBondContact O-N 2.9Å
1099	N	25.6	Very low	26.1	Very low	116 Å²	116	152.3 Å²	152.3	62%	0.62	77%	0.774	S	S	*	*	S	Bend	trans	-76.7	87.8	160.8	-69.1	-25.8	0	0	0	112.5
1100	N	26.1	Very low	26.5	Very low	149 Å²	149	151 Å²	151	80%	0.797	77%	0.767	S	S	*	*			trans	-152.7	26.3	170.7	-121.9	-31.3	0	0	0	116.6	N1098	N1098-N1100 PolarHBondContact O-N 2.9Å
1101	L	27.5	Very low	26.6	Very low	156 Å²	156	152 Å²	152	82%	0.817	77%	0.765	S	S	*	*			trans	-134.5	72.2	167.4	-92.8	110.4	0	0	0	111.9
1102	L	27.2	Very low	26.9	Very low	163 Å²	163	152.2 Å²	152.2	85%	0.853	76%	0.76	S	S	*	*			trans	-69.6	126.1	150.2	-153.1	76.9	0	0	0	107.2
1103	N	28.2	Very low	27.3	Very low	130 Å²	130	153.8 Å²	153.8	70%	0.695	76%	0.755	S	S	*	*	S	Bend	trans	88.2	141.2	-175.4	-50.1	-67.7	0	0	0	117.8
1104	Q	26.9	Very low	27.6	Very low	172 Å²	172	152.4 Å²	152.4	80%	0.804	74%	0.735	S	S	*	*	S	Bend	trans	81.2	116.2	172	-50.7	-162.8	17.7	0	0	119.8
1105	K	27.2	Very low	28	Very low	194 Å²	194	149.9 Å²	149.9	84%	0.843	73%	0.725	S	S	*	*			trans	50.3	85.5	149.9	-63	-178.1	177.3	177.4	0	119.8
1106	I	31.1	Very low	28.5	Very low	114 Å²	114	142.8 Å²	142.8	59%	0.585	69%	0.694	S	S	*	*			trans	-136.1	104.5	142.9	-57.1	-179.3	0	0	0	109.3
1107	E	26.6	Very low	28.8	Very low	155 Å²	155	136.8 Å²	136.8	72%	0.724	68%	0.681	S	S	*	*			trans	-121.5	13.5	-176.5	-161.8	163.5	-136.8	0	0	112.3
1108	N	27.4	Very low	29	Very low	153 Å²	153	132.3 Å²	132.3	82%	0.818	67%	0.67	S	S	*	*	S	Bend	trans	-146.6	18.6	-163.5	-104.7	-57.7	0	0	0	116.8
1109	K	28.2	Very low	29.4	Very low	191 Å²	191	131 Å²	131	83%	0.83	66%	0.663	S	S	*	*			trans	-139.8	66.9	177.3	-76.8	-164.1	174.4	-173.6	0	114
1110	L	32.2	Very low	29.6	Very low	136 Å²	136	130.7 Å²	130.7	71%	0.712	65%	0.653	S	S	*	*			trans	-146.5	50.5	161.3	-106.8	166.9	0	0	0	110.3	Y1113	L1110-Y1113 HydrophobicContact CD2-CE2 4.16Å
1111	K	27.6	Very low	29.7	Very low	179 Å²	179	129.3 Å²	129.3	78%	0.778	65%	0.652	S	S	*	*			trans	-83.4	170.8	157.8	-82.6	-174.2	173.5	-178.9	0	109
1112	Y	28.9	Very low	29.8	Very low	171 Å²	171	123.3 Å²	123.3	67%	0.671	63%	0.628	S	S	*	*			trans	76.9	73.1	-179.2	-42.6	-70.2	0	0	0	114.8
1113	Y	32.9	Very low	30	Very low	191 Å²	191	117.6 Å²	117.6	75%	0.749	60%	0.598	S	S	*	*			trans	-114.5	150.5	146	-73.9	-78.5	0	0	0	108.1	L1110	L1110-Y1113 HydrophobicContact CD2-CE2 4.16Å
1114	C	32.9	Very low	30.3	Very low	34 Å²	34	114.3 Å²	114.3	23%	0.23	60%	0.595	C	S	.	*			trans	-70.3	148.2	-170.2	-59.9	0	0	0	0	113	C1084 N1123	C1084-C1114 HydrophobicContact CB-CB 4.09Å; C1084-C1114 WeakPolarHBondContact CB-SG 3.35Å; C1084-C1114 VanDerWaalsContact SG-CA 3.55Å; C1084-C1114 WeakPolarHBondContact SG-CB 3.24Å; C1084-C1114 CovalentContact SG-SG 2.03Å; C1084-C1114 PolarHBondContact SG-SG 3.39Å; C1114-N1123 HydrophobicContact CB-CB 4.4Å; C1114-N1123 WeakPolarHBondContact CB-OD1 3.31Å; C1114-N1123 PolarHBondContact SG-OD1 3.24Å
1115	T	31.5	Very low	30.7	Very low	90 Å²	90	108.7 Å²	108.7	55%	0.552	58%	0.584	S	S	*	*			trans	-133.3	129	179	53.9	0	0	0	0	110.4	Y1069	Y1069-T1115 WeakPolarHBondContact CE1-O 3.38Å
1116	G	34.8	Very low	31.1	Very low	23 Å²	23	100 Å²	100	24%	0.237	55%	0.547	C	S	.	.			trans	179	153	175.3	0	0	0	0	0	111.1	Y1069 G1118 C1126	Y1069-G1116 VanDerWaalsContact CD1-CA 3.47Å; Y1069-G1116 VanDerWaalsContact CG-CA 3.45Å; G1116-G1118 PolarHBondContact O-N 3.28Å; G1116-C1126 PolarHBondContact O-SG 2.75Å
1117	S	31.3	Very low	31.2	Very low	69 Å²	69	97.1 Å²	97.1	48%	0.483	54%	0.537	S	S	.	.	S	Bend	trans	-84.5	107	-166.6	-55.1	0	0	0	0	114	Y1069 T1070	Y1069-S1117 WeakPolarHBondContact CD2-OG 3.37Å; T1070-S1117 WeakPolarHBondContact O-CB 3.28Å; T1070-S1117 PolarHBondContact O-OG 2.86Å
1118	G	31	Very low	31.7	Very low	48 Å²	48	96.4 Å²	96.4	50%	0.495	53%	0.532	S	S	.	.	S	Bend	trans	-171.8	159	168.6	0	0	0	0	0	109.4	G1116 W1120	G1116-G1118 PolarHBondContact O-N 3.28Å; G1118-W1120 PolarHBondContact O-N 3.32Å
1119	D	32.6	Very low	32	Very low	117 Å²	117	92.1 Å²	92.1	63%	0.626	51%	0.513	S	S	*	.	S	Bend	trans	-76.3	30.8	-165.8	-56.8	-72.1	0	0	0	116	H1989	D1119-H1989 IonicContact OD2-CD2 2.72Å; D1119-H1989 PolarHBondContact OD2-CD2 3.03Å; D1119-H1989 IonicContact OD2-CG 3.61Å; D1119-H1989 IonicContact OD2-NE2 3.61Å
1120	W	29.5	Very low	32.5	Very low	109 Å²	109	89.1 Å²	89.1	41%	0.413	50%	0.5	S	S	.	.	S	Bend	trans	-142.4	159.5	-177.4	-59.8	95.4	0	0	0	111.7	G1118 C1126 S1997	G1118-W1120 PolarHBondContact O-N 3.32Å; W1120-C1126 CarbonylContact C-O 3.58Å; W1120-C1126 VanDerWaalsContact C-O 3.28Å; W1120-C1126 VanDerWaalsContact CB-O 3.25Å; W1120-C1126 WeakPolarHBondContact CB-O 3.42Å; W1120-C1126 VanDerWaalsContact O-CB 3.26Å; W1120-C1126 WeakPolarHBondContact O-CB 3.44Å; W1120-S1997 VanDerWaalsContact CH2-CB 3.49Å
1121	P	27.6	Very low	33.1	Very low	121 Å²	121	84 Å²	84	79%	0.786	47%	0.472	S	S	*	.	S	Bend	trans	-113	94.6	-180	37.8	-28.9	0	0	0	115.5	C1126	P1121-C1126 CarbonylContact C-O 3.32Å
1122	G	31	Very low	34	Very low	29 Å²	29	76 Å²	76	30%	0.299	44%	0.439	S	S	.	.	S	Bend	trans	82	132	167.4	0	0	0	0	0	116.6	C1126 F1128	G1122-C1126 VanDerWaalsContact N-C 3.27Å; G1122-C1126 VanDerWaalsContact N-CA 3.28Å; G1122-C1126 PolarHBondContact N-O 2.97Å; G1122-F1128 CarbonylContact C-O 3.58Å; G1122-F1128 CarbonylContact O-C 3.47Å; G1122-F1128 PolarHBondContact O-N 3.31Å; G1122-F1128 VanDerWaalsContact O-O 3.11Å
1123	N	30.2	Very low	35	Very low	43 Å²	43	68.5 Å²	68.5	23%	0.23	41%	0.41	C	S	.	.	S	Bend	cis	-138.4	139.5	-20.9	178.8	51.7	0	0	0	110.9	C1084 C1114 S1127 F1128	C1084-N1123 WeakPolarHBondContact CA-ND2 3.26Å; C1084-N1123 WeakPolarHBondContact CB-ND2 3.04Å; C1084-N1123 PolarHBondContact O-ND2 2.9Å; C1114-N1123 HydrophobicContact CB-CB 4.4Å; C1114-N1123 WeakPolarHBondContact CB-OD1 3.31Å; C1114-N1123 PolarHBondContact SG-OD1 3.24Å; N1123-S1127 VanDerWaalsContact C-N 3.26Å; N1123-F1128 PolarHBondContact N-O 2.97Å; N1123-F1128 PolarHBondContact O-N 2.64Å
1124	G	34.4	Very low	35.8	Very low	61 Å²	61	59.7 Å²	59.7	63%	0.629	38%	0.376	S	S	*	.	S	Bend	trans	155.2	15.7	-177.4	0	0	0	0	0	121.9	S1127	G1124-S1127 WeakPolarHBondContact CA-OG 3.23Å; G1124-S1127 PolarHBondContact O-OG 2.81Å
1125	G	34.8	Very low	36.3	Very low	55 Å²	55	62.3 Å²	62.3	57%	0.567	38%	0.382	S	S	*	.	S	Bend	cis	-72.9	132.4	-6.6	0	0	0	0	0	111.3	S1127	G1125-S1127 VanDerWaalsContact C-N 3.3Å; G1125-S1127 PolarHBondContact O-N 2.83Å; G1125-S1127 PolarHBondContact O-OG 2.73Å
1126	C	37.1	Very low	36.9	Very low	11 Å²	11	62.5 Å²	62.5	7%	0.074	38%	0.379	C	S	.	.	S	Bend	trans	54	23.8	-178.7	-63.3	0	0	0	0	118.8	G1116 W1120 P1121 G1122	G1116-C1126 PolarHBondContact O-SG 2.75Å; W1120-C1126 CarbonylContact C-O 3.58Å; W1120-C1126 VanDerWaalsContact C-O 3.28Å; W1120-C1126 VanDerWaalsContact CB-O 3.25Å; W1120-C1126 WeakPolarHBondContact CB-O 3.42Å; W1120-C1126 VanDerWaalsContact O-CB 3.26Å; W1120-C1126 WeakPolarHBondContact O-CB 3.44Å; P1121-C1126 CarbonylContact C-O 3.32Å; G1122-C1126 VanDerWaalsContact N-C 3.27Å; G1122-C1126 VanDerWaalsContact N-CA 3.28Å; G1122-C1126 PolarHBondContact N-O 2.97Å
1127	S	33.4	Very low	37.3	Very low	54 Å²	54	64.7 Å²	64.7	38%	0.378	38%	0.383	S	S	.	.			trans	-125.1	1.3	-164.6	50.6	0	0	0	0	121.2	N1123 G1124 G1125	N1123-S1127 VanDerWaalsContact C-N 3.26Å; G1124-S1127 WeakPolarHBondContact CA-OG 3.23Å; G1124-S1127 PolarHBondContact O-OG 2.81Å; G1125-S1127 VanDerWaalsContact C-N 3.3Å; G1125-S1127 PolarHBondContact O-N 2.83Å; G1125-S1127 PolarHBondContact O-OG 2.73Å
1128	F	35.3	Very low	37.8	Very low	140 Å²	140	67.1 Å²	67.1	61%	0.614	40%	0.397	S	S	*	.			trans	-146.8	146.3	176.4	-89.3	-80.4	0	0	0	115.8	G1122 N1123 S1993	G1122-F1128 CarbonylContact C-O 3.58Å; G1122-F1128 CarbonylContact O-C 3.47Å; G1122-F1128 PolarHBondContact O-N 3.31Å; G1122-F1128 VanDerWaalsContact O-O 3.11Å; N1123-F1128 PolarHBondContact N-O 2.97Å; N1123-F1128 PolarHBondContact O-N 2.64Å; F1128-S1993 WeakPolarHBondContact CZ-OG 3.2Å
1129	C	33.7	Very low	38.2	Very low	62 Å²	62	74.1 Å²	74.1	42%	0.419	41%	0.414	S	S	.	.			trans	-151.5	149.1	175.2	-177.6	0	0	0	0	110.7	V1148 N1149	C1129-V1148 VanDerWaalsContact SG-C 3.54Å; C1129-V1148 PolarHBondContact SG-O 3.23Å; C1129-N1149 WeakPolarHBondContact CA-OD1 3.38Å; C1129-N1149 PolarHBondContact SG-OD1 2.71Å
1130	K	39.9	Very low	38.4	Very low	128 Å²	128	74.3 Å²	74.3	56%	0.557	42%	0.415	S	S	*	.			trans	-127.3	-3.3	-165.7	-133.5	-162.9	-174.4	-156	0	119.3	E556	E556-K1130 IonicContact OE1-NZ 2.67Å; E556-K1130 PolarHBondContact OE1-NZ 3.46Å; E556-K1130 IonicContact OE2-NZ 2.7Å; E556-K1130 PolarHBondContact OE2-NZ 2.84Å
1131	Q	43.5	Very low	39.1	Very low	29 Å²	29	74 Å²	74	14%	0.136	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	167.4	-179.5	-51.3	178.6	-8.9	0	0	112.2	C1147 V1148 Q1157	Q1131-C1147 CarbonylContact O-C 3.57Å; Q1131-C1147 WeakPolarHBondContact O-CA 3.24Å; Q1131-V1148 CarbonylContact C-O 3.58Å; Q1131-V1148 WeakPolarHBondContact CA-O 3.48Å; Q1131-V1148 HydrophobicContact CB-CG2 4.11Å; Q1131-V1148 WeakPolarHBondContact CB-O 2.78Å; Q1131-V1148 PolarHBondContact N-O 3.41Å; Q1131-V1148 PolarHBondContact O-N 3.3Å; Q1131-Q1157 VanDerWaalsContact NE2-NE2 3.11Å
1132	T	48	Very low	39.8	Very low	12 Å²	12	71 Å²	71	7%	0.074	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.4	-175.6	-40.6	0	0	0	0	113.1	L1145 K1146 W1214 Q1228 I1229 C1230	T1132-L1145 HydrophobicContact CG2-CB 3.98Å; T1132-L1145 HydrophobicContact CG2-CD2 4.18Å; T1132-K1146 CarbonylContact C-O 3.54Å; T1132-K1146 WeakPolarHBondContact CA-O 3.41Å; T1132-W1214 HydrophobicContact CG2-CH2 3.99Å; T1132-W1214 HydrophobicContact CG2-CZ2 3.72Å; T1132-W1214 WeakPolarHBondContact OG1-CH2 3.21Å; T1132-Q1228 PolarHBondContact N-O 2.91Å; T1132-Q1228 VanDerWaalsContact N-O 3.15Å; T1132-I1229 CarbonylContact O-C 3.34Å; T1132-I1229 WeakPolarHBondContact O-CA 3.4Å; T1132-C1230 VanDerWaalsContact O-CB 3.24Å; T1132-C1230 WeakPolarHBondContact O-CB 3.12Å; T1132-C1230 PolarHBondContact O-N 2.92Å; T1132-C1230 PolarHBondContact O-SG 3.49Å
1133	V	48.7	Very low	40.6	Very low	12 Å²	12	70.9 Å²	70.9	7%	0.073	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.8	-178.5	-171.5	0	0	0	0	113.9	L1145 K1146 V1148 P1152 T1155 C1230	V1133-L1145 CarbonylContact O-C 3.5Å; V1133-L1145 VanDerWaalsContact O-CA 3.3Å; V1133-L1145 WeakPolarHBondContact O-CA 3.38Å; V1133-K1146 PolarHBondContact N-O 3.1Å; V1133-K1146 PolarHBondContact O-N 3.28Å; V1133-V1148 HydrophobicContact CG2-CB 4.36Å; V1133-V1148 HydrophobicContact CG2-CG1 3.82Å; V1133-V1148 HydrophobicContact CG2-CG2 3.56Å; V1133-P1152 HydrophobicContact CG2-CG 4.32Å; V1133-T1155 HydrophobicContact CG1-CG2 4.37Å; V1133-C1230 HydrophobicContact CB-CB 3.99Å; V1133-C1230 HydrophobicContact CG1-CB 4Å; V1133-C1230 HydrophobicContact CG2-CB 3.68Å
1134	L	49.6	Very low	41.5	Very low	6 Å²	6	73.6 Å²	73.6	3%	0.031	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124.9	170.9	-168.7	81.3	0	0	0	111.1	H1143 L1145 F1203 I1207 I1211 C1230 L1231	L1134-H1143 HydrophobicContact CD1-CB 4.17Å; L1134-L1145 HydrophobicContact CB-CD2 4.02Å; L1134-L1145 HydrophobicContact CD1-CD2 3.86Å; L1134-L1145 HydrophobicContact CD1-CG 3.98Å; L1134-F1203 HydrophobicContact CD2-CD1 4.46Å; L1134-F1203 HydrophobicContact CD2-CE1 3.83Å; L1134-I1207 HydrophobicContact CD1-CG2 4.18Å; L1134-I1207 HydrophobicContact CD2-CG2 4.07Å; L1134-I1211 HydrophobicContact CD1-CD1 4.31Å; L1134-I1211 HydrophobicContact CD1-CG1 4.31Å; L1134-C1230 PolarHBondContact N-O 3.35Å; L1134-C1230 VanDerWaalsContact N-O 3.12Å; L1134-L1231 HydrophobicContact CB-CD2 4.44Å; L1134-L1231 HydrophobicContact CD2-CD2 4.26Å
1135	Y	45	Very low	42	Very low	89 Å²	89	72.4 Å²	72.4	35%	0.349	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.9	179.7	148.2	-92.4	0	0	0	112.1	E1137 H1144	Y1135-E1137 HydrophobicContact CE1-CG 3.88Å; Y1135-E1137 PolarHBondContact OH-OE1 3.42Å; Y1135-H1144 PolarHBondContact N-O 2.94Å; Y1135-H1144 PolarHBondContact O-N 2.93Å
1136	L	44.2	Very low	42.6	Very low	94 Å²	94	77 Å²	77	49%	0.492	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	120.9	-177.2	-108.6	165	0	0	0	110.6	P1138 H1143	L1136-P1138 WeakPolarHBondContact O-CD 3.41Å; L1136-H1143 WeakPolarHBondContact CD2-NE2 3.28Å; L1136-H1143 WeakPolarHBondContact CG-NE2 3.48Å
1137	E	42.9	Very low	42.8	Very low	70 Å²	70	80 Å²	80	33%	0.327	41%	0.413	S	S	.	.			trans	-72.6	120	173.1	-77.5	-98.9	110.6	0	0	110.6	Y1135 K1139 N1140	Y1135-E1137 HydrophobicContact CE1-CG 3.88Å; Y1135-E1137 PolarHBondContact OH-OE1 3.42Å; E1137-K1139 PolarHBondContact O-N 2.86Å; E1137-N1140 PolarHBondContact O-N 3.3Å; E1137-N1140 VanDerWaalsContact O-O 3.14Å
1138	P	40.5	Very low	43.4	Very low	119 Å²	119	79.1 Å²	79.1	77%	0.773	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	13	-172.6	-24.1	35.5	0	0	0	117.3	L1136	L1136-P1138 WeakPolarHBondContact O-CD 3.41Å
1139	K	40.7	Very low	43.9	Very low	195 Å²	195	77.3 Å²	77.3	85%	0.848	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.9	-5	-175.4	-69	-166.3	175.3	-175.6	0	116.1	E1137	E1137-K1139 PolarHBondContact O-N 2.86Å
1140	N	37.2	Very low	44.6	Very low	121 Å²	121	78.8 Å²	78.8	65%	0.647	41%	0.413	S	S	*	.	S	Bend	trans	-151.3	138.1	169.6	-89.7	-36.6	0	0	0	108.3	E1137 N1142	E1137-N1140 PolarHBondContact O-N 3.3Å; E1137-N1140 VanDerWaalsContact O-O 3.14Å; N1140-N1142 PolarHBondContact O-N 3.36Å
1141	S	42.8	Very low	44.8	Very low	102 Å²	102	73.2 Å²	73.2	71%	0.713	39%	0.39	S	S	*	.	S	Bend	trans	-75.7	34.8	-169.9	-41.4	0	0	0	0	115.4	H1143	S1141-H1143 PolarHBondContact O-CE1 3.35Å; S1141-H1143 PolarHBondContact O-ND1 3.2Å
1142	N	42.7	Very low	44.9	Very low	58 Å²	58	74.3 Å²	74.3	31%	0.31	40%	0.4	S	S	.	.			trans	-98.9	149.2	176.5	-62.4	-8.7	0	0	0	109.8	N1140 K1206	N1140-N1142 PolarHBondContact O-N 3.36Å; N1142-K1206 PolarHBondContact OD1-NZ 2.72Å
1143	H	47.8	Very low	44.5	Very low	28 Å²	28	78.3 Å²	78.3	13%	0.13	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.6	-174.3	-56.8	62.1	0	0	0	109.9	L1134 L1136 S1141 I1207 E1210	L1134-H1143 HydrophobicContact CD1-CB 4.17Å; L1136-H1143 WeakPolarHBondContact CD2-NE2 3.28Å; L1136-H1143 WeakPolarHBondContact CG-NE2 3.48Å; S1141-H1143 PolarHBondContact O-CE1 3.35Å; S1141-H1143 PolarHBondContact O-ND1 3.2Å; H1143-I1207 HydrophobicContact CB-CG1 4.45Å; H1143-I1207 HydrophobicContact CB-CG2 4.15Å; H1143-I1207 VanDerWaalsContact CD2-CD1 3.49Å; H1143-I1207 WeakPolarHBondContact CD2-CD1 3.45Å; H1143-I1207 WeakPolarHBondContact NE2-CD1 3.35Å; H1143-E1210 WeakPolarHBondContact CB-OE2 3.47Å; H1143-E1210 PolarHBondContact N-OE2 2.97Å; H1143-E1210 VanDerWaalsContact N-OE2 3.12Å; H1143-E1210 IonicContact ND1-OE2 2.69Å
1144	H	48.3	Very low	44	Very low	99 Å²	99	79.2 Å²	79.2	46%	0.458	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.9	-173.5	-65.7	-33.5	0	0	0	112.2	Y1135	Y1135-H1144 PolarHBondContact N-O 2.94Å; Y1135-H1144 PolarHBondContact O-N 2.93Å
1145	L	46.3	Very low	43.9	Very low	36 Å²	36	78.9 Å²	78.9	19%	0.188	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	137.4	178.9	-74	161.4	0	0	0	110.6	T1132 V1133 L1134 I1211 W1214 I1229	T1132-L1145 HydrophobicContact CG2-CB 3.98Å; T1132-L1145 HydrophobicContact CG2-CD2 4.18Å; V1133-L1145 CarbonylContact O-C 3.5Å; V1133-L1145 VanDerWaalsContact O-CA 3.3Å; V1133-L1145 WeakPolarHBondContact O-CA 3.38Å; L1134-L1145 HydrophobicContact CB-CD2 4.02Å; L1134-L1145 HydrophobicContact CD1-CD2 3.86Å; L1134-L1145 HydrophobicContact CD1-CG 3.98Å; L1145-I1211 HydrophobicContact CD1-CG1 4.22Å; L1145-W1214 HydrophobicContact CB-CD2 4.43Å; L1145-W1214 HydrophobicContact CB-CG 4.33Å; L1145-W1214 HydrophobicContact CD1-CB 3.57Å; L1145-W1214 HydrophobicContact CD1-CD2 3.55Å; L1145-W1214 HydrophobicContact CD1-CE3 3.84Å; L1145-W1214 HydrophobicContact CD1-CG 3.4Å; L1145-W1214 VanDerWaalsContact CD1-CG 3.4Å; L1145-W1214 HydrophobicContact CG-CG 4.5Å; L1145-I1229 HydrophobicContact CD2-CG2 3.88Å
1146	K	46.7	Very low	44	Very low	153 Å²	153	75.8 Å²	75.8	67%	0.665	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	135.9	178.9	-177.4	-179.3	175.2	-175.8	0	112.8	T1132 V1133	T1132-K1146 CarbonylContact C-O 3.54Å; T1132-K1146 WeakPolarHBondContact CA-O 3.41Å; V1133-K1146 PolarHBondContact N-O 3.1Å; V1133-K1146 PolarHBondContact O-N 3.28Å
1147	C	42.5	Very low	44.5	Very low	74 Å²	74	73.6 Å²	73.6	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.5	-178.9	-52.5	0	0	0	0	114	Q1131	Q1131-C1147 CarbonylContact O-C 3.57Å; Q1131-C1147 WeakPolarHBondContact O-CA 3.24Å
1148	V	46	Very low	44.9	Very low	35 Å²	35	71.4 Å²	71.4	21%	0.212	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157	176.6	-60.8	0	0	0	0	110.3	C1129 Q1131 V1133 S1150	C1129-V1148 VanDerWaalsContact SG-C 3.54Å; C1129-V1148 PolarHBondContact SG-O 3.23Å; Q1131-V1148 CarbonylContact C-O 3.58Å; Q1131-V1148 WeakPolarHBondContact CA-O 3.48Å; Q1131-V1148 HydrophobicContact CB-CG2 4.11Å; Q1131-V1148 WeakPolarHBondContact CB-O 2.78Å; Q1131-V1148 PolarHBondContact N-O 3.41Å; Q1131-V1148 PolarHBondContact O-N 3.3Å; V1133-V1148 HydrophobicContact CG2-CB 4.36Å; V1133-V1148 HydrophobicContact CG2-CG1 3.82Å; V1133-V1148 HydrophobicContact CG2-CG2 3.56Å; V1148-S1150 WeakPolarHBondContact CB-O 3.36Å; V1148-S1150 VanDerWaalsContact CG2-O 3.28Å; V1148-S1150 WeakPolarHBondContact CG2-O 3.06Å
1149	N	45.2	Very low	45.4	Very low	102 Å²	102	68.5 Å²	68.5	55%	0.545	37%	0.371	S	S	.	.	S	Bend	trans	-86.1	-20.2	170.5	-77.1	-8.6	0	0	0	113.1	C1129	C1129-N1149 WeakPolarHBondContact CA-OD1 3.38Å; C1129-N1149 PolarHBondContact SG-OD1 2.71Å
1150	S	47	Very low	46	Very low	93 Å²	93	59.2 Å²	59.2	65%	0.65	33%	0.331	S	S	*	.	S	Bend	trans	-151.3	144.8	172.4	-58.5	0	0	0	0	108.9	V1148	V1148-S1150 WeakPolarHBondContact CB-O 3.36Å; V1148-S1150 VanDerWaalsContact CG2-O 3.28Å; V1148-S1150 WeakPolarHBondContact CG2-O 3.06Å
1151	C	45.9	Very low	46.4	Very low	11 Å²	11	56.1 Å²	56.1	7%	0.074	31%	0.314	C	S	.	.			trans	-76.7	122.8	-172	-156	0	0	0	0	109	T1155 C1230 Q1264	C1151-T1155 PolarHBondContact SG-OG1 3.37Å; C1151-T1155 VanDerWaalsContact SG-OG1 3.38Å; C1151-C1230 HydrophobicContact CB-CB 4.38Å; C1151-C1230 WeakPolarHBondContact CB-SG 3.02Å; C1151-C1230 WeakPolarHBondContact SG-CB 3.22Å; C1151-C1230 CovalentContact SG-SG 2Å; C1151-C1230 PolarHBondContact SG-SG 3.48Å; C1151-Q1264 VanDerWaalsContact C-CB 3.45Å; C1151-Q1264 CarbonylContact C-O 3.45Å; C1151-Q1264 HydrophobicContact CB-CB 3.46Å; C1151-Q1264 VanDerWaalsContact CB-CB 3.46Å; C1151-Q1264 HydrophobicContact CB-CG 3.65Å; C1151-Q1264 WeakPolarHBondContact O-CB 3.21Å; C1151-Q1264 WeakPolarHBondContact O-CG 3.35Å; C1151-Q1264 WeakPolarHBondContact SG-CB 3.07Å; C1151-Q1264 PolarHBondContact SG-OE1 2.79Å
1152	P	45.2	Very low	46.7	Very low	52 Å²	52	52.5 Å²	52.5	34%	0.338	29%	0.287	S	S	.	.			trans	-47.5	-112.6	-167.5	-24.4	24.9	0	0	0	123.7	V1133 E1263 Q1264 V1266	V1133-P1152 HydrophobicContact CG2-CG 4.32Å; P1152-E1263 VanDerWaalsContact O-O 3.1Å; P1152-Q1264 VanDerWaalsContact CA-C 3.46Å; P1152-Q1264 VanDerWaalsContact CA-O 3.26Å; P1152-Q1264 WeakPolarHBondContact CA-O 3.08Å; P1152-Q1264 WeakPolarHBondContact CB-O 3.3Å; P1152-Q1264 WeakPolarHBondContact CD-O 3.4Å; P1152-Q1264 WeakPolarHBondContact CG-O 3.5Å; P1152-V1266 HydrophobicContact CB-CG2 4.09Å
1153	F	38.5	Very low	46.5	Very low	95 Å²	95	55.1 Å²	55.1	42%	0.417	30%	0.297	S	S	.	.	S	Bend	trans	-146.1	101.1	166.4	-148.2	-94.6	0	0	0	117	E1263 C1265 V1266	F1153-E1263 VanDerWaalsContact CA-O 3.27Å; F1153-E1263 WeakPolarHBondContact CA-O 3.37Å; F1153-E1263 HydrophobicContact CD2-CB 4.22Å; F1153-E1263 VanDerWaalsContact CD2-O 3.27Å; F1153-E1263 WeakPolarHBondContact CD2-O 2.86Å; F1153-E1263 HydrophobicContact CE2-CB 3.8Å; F1153-E1263 HydrophobicContact CE2-CG 4.12Å; F1153-E1263 HydrophobicContact CZ-CB 4.23Å; F1153-E1263 HydrophobicContact CZ-CG 4.12Å; F1153-C1265 CarbonylContact O-C 3.49Å; F1153-C1265 PolarHBondContact O-N 3.21Å; F1153-V1266 HydrophobicContact CB-CG2 3.78Å
1154	G	38.6	Very low	45.8	Very low	31 Å²	31	60.7 Å²	60.7	32%	0.32	32%	0.323	S	S	.	.	S	Bend	trans	122.9	1.4	-162.9	0	0	0	0	0	122.8	C1233 E1263 C1265	G1154-C1233 WeakPolarHBondContact O-CB 3.41Å; G1154-C1233 PolarHBondContact O-N 3.31Å; G1154-C1233 VanDerWaalsContact O-N 3.15Å; G1154-C1233 PolarHBondContact O-SG 3.15Å; G1154-C1233 VanDerWaalsContact O-SG 3.34Å; G1154-E1263 VanDerWaalsContact N-C 3.27Å; G1154-C1265 VanDerWaalsContact C-CB 3.48Å; G1154-C1265 VanDerWaalsContact CA-N 3.32Å
1155	T	47.8	Very low	44.8	Very low	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-176.6	168.8	60.7	0	0	0	0	110.4	V1133 C1151 L1231 P1232 C1233 P1262 E1263 Q1264 C1265	V1133-T1155 HydrophobicContact CG1-CG2 4.37Å; C1151-T1155 PolarHBondContact SG-OG1 3.37Å; C1151-T1155 VanDerWaalsContact SG-OG1 3.38Å; T1155-L1231 CarbonylContact C-O 3.59Å; T1155-L1231 VanDerWaalsContact CA-O 3.26Å; T1155-L1231 WeakPolarHBondContact CA-O 3Å; T1155-L1231 VanDerWaalsContact CB-C 3.46Å; T1155-L1231 WeakPolarHBondContact CB-O 3.32Å; T1155-L1231 VanDerWaalsContact CG2-C 3.4Å; T1155-L1231 WeakPolarHBondContact CG2-O 3Å; T1155-P1232 HydrophobicContact CG2-CG 4.46Å; T1155-C1233 PolarHBondContact O-SG 2.99Å; T1155-P1262 CarbonylContact O-C 3.35Å; T1155-P1262 VanDerWaalsContact O-C 3.23Å; T1155-E1263 PolarHBondContact O-N 3.4Å; T1155-E1263 VanDerWaalsContact O-N 3.1Å; T1155-Q1264 WeakPolarHBondContact O-CB 3.44Å; T1155-Q1264 PolarHBondContact O-N 2.73Å; T1155-Q1264 WeakPolarHBondContact OG1-CB 3.04Å; T1155-Q1264 PolarHBondContact OG1-O 3.37Å; T1155-C1265 HydrophobicContact CG2-CB 3.35Å
1156	Y	46.6	Very low	43.9	Very low	23 Å²	23	63.8 Å²	63.8	9%	0.09	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.6	166.5	59.7	-103.8	0	0	0	112.8	H1158 L1199 C1230 L1231 P1232 G1259 P1260 S1261 Q1264	Y1156-H1158 HydrophobicContact CD2-CB 4.27Å; Y1156-H1158 HydrophobicContact CE2-CB 4.13Å; Y1156-H1158 PolarHBondContact O-N 2.95Å; Y1156-L1199 HydrophobicContact CE2-CD1 4.28Å; Y1156-C1230 CarbonylContact O-C 3.55Å; Y1156-C1230 VanDerWaalsContact O-CA 3.22Å; Y1156-C1230 WeakPolarHBondContact O-CA 3.38Å; Y1156-L1231 VanDerWaalsContact CD1-O 3.31Å; Y1156-L1231 WeakPolarHBondContact CD1-O 3.48Å; Y1156-L1231 HydrophobicContact CD2-CB 4.16Å; Y1156-L1231 HydrophobicContact CE1-CB 4.27Å; Y1156-L1231 HydrophobicContact CE2-CB 3.69Å; Y1156-L1231 HydrophobicContact CE2-CD1 3.92Å; Y1156-L1231 HydrophobicContact CE2-CG 4.34Å; Y1156-L1231 PolarHBondContact N-O 3.17Å; Y1156-L1231 PolarHBondContact O-N 3.43Å; Y1156-P1232 WeakPolarHBondContact CE1-O 3.27Å; Y1156-G1259 VanDerWaalsContact CD2-CA 3.44Å; Y1156-P1260 WeakPolarHBondContact CB-O 3.41Å; Y1156-S1261 WeakPolarHBondContact CA-O 3.24Å; Y1156-S1261 WeakPolarHBondContact CB-O 3.23Å; Y1156-Q1264 VanDerWaalsContact CA-OE1 3.25Å
1157	Q	55.2	Low	42.8	Very low	48 Å²	48	59.5 Å²	59.5	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	96.7	-177.6	-176.2	-171.2	-19.8	0	0	111.2	Q1131 P1260	Q1131-Q1157 VanDerWaalsContact NE2-NE2 3.11Å; Q1157-P1260 WeakPolarHBondContact O-CG 3.39Å
1158	H	51.9	Low	42.2	Very low	25 Å²	25	59.5 Å²	59.5	12%	0.116	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	156.5	174	-168	77.3	0	0	0	111.8	Y1156 D1196 L1199 Q1228 I1229 L1231	Y1156-H1158 HydrophobicContact CD2-CB 4.27Å; Y1156-H1158 HydrophobicContact CE2-CB 4.13Å; Y1156-H1158 PolarHBondContact O-N 2.95Å; H1158-D1196 IonicContact CD2-OD1 2.64Å; H1158-D1196 IonicContact CE1-OD1 2.68Å; H1158-D1196 IonicContact NE2-OD1 3.95Å; H1158-D1196 PolarHBondContact NE2-OD1 3.18Å; H1158-L1199 HydrophobicContact CB-CD2 4.15Å; H1158-L1199 WeakPolarHBondContact CD2-CD2 3.3Å; H1158-L1199 VanDerWaalsContact CG-CD2 3.49Å; H1158-Q1228 CarbonylContact O-C 3.35Å; H1158-Q1228 WeakPolarHBondContact O-CA 3.33Å; H1158-I1229 PolarHBondContact N-O 2.76Å; H1158-I1229 PolarHBondContact O-N 3.03Å; H1158-L1231 HydrophobicContact CB-CD1 4.18Å
1159	V	51.1	Low	41.3	Very low	57 Å²	57	63.3 Å²	63.3	35%	0.345	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	177.9	-172.3	0	0	0	0	109.9	L1226 A1227 Q1228	V1159-L1226 HydrophobicContact CG1-CB 3.9Å; V1159-L1226 HydrophobicContact CG1-CD2 3.93Å; V1159-L1226 HydrophobicContact CG1-CG 4.44Å; V1159-A1227 WeakPolarHBondContact CA-O 3.42Å; V1159-Q1228 HydrophobicContact CG1-CG 4.22Å; V1159-Q1228 HydrophobicContact CG2-CG 4.07Å
1160	I	51.9	Low	40.6	Very low	1 Å²	1	63.9 Å²	63.9	1%	0.005	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.5	-178.8	-51.5	173.1	0	0	0	108.9	L1162 W1192 F1200 L1215 L1226 A1227 I1229	I1160-L1162 HydrophobicContact CB-CD2 4.45Å; I1160-L1162 HydrophobicContact CG2-CD2 3.66Å; I1160-W1192 HydrophobicContact CG2-CZ3 4.18Å; I1160-F1200 HydrophobicContact CD1-CE2 4.36Å; I1160-F1200 HydrophobicContact CD1-CZ 3.76Å; I1160-L1215 HydrophobicContact CD1-CD1 4.02Å; I1160-L1226 WeakPolarHBondContact O-CA 3.27Å; I1160-A1227 PolarHBondContact N-O 3.38Å; I1160-A1227 PolarHBondContact O-N 3.34Å; I1160-I1229 HydrophobicContact CD1-CD1 3.61Å; I1160-I1229 HydrophobicContact CD1-CG1 4.17Å
1161	N	47.5	Very low	39.8	Very low	55 Å²	55	66.4 Å²	66.4	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	173.3	178.6	31.5	0	0	0	110.7	L554 H1163 W1192 L1226	L554-N1161 WeakPolarHBondContact CD1-ND2 3.29Å; N1161-H1163 PolarHBondContact ND2-O 3.06Å; N1161-W1192 WeakPolarHBondContact O-CZ3 3.02Å; N1161-L1226 HydrophobicContact CB-CD2 3.68Å
1162	L	47.9	Very low	39.1	Very low	27 Å²	27	75.3 Å²	75.3	14%	0.141	42%	0.424	C	S	.	.			trans	-100.4	1.9	-164.6	-57.9	171.3	0	0	0	114.9	I1160 W1192 L1215 T1219 A1227	I1160-L1162 HydrophobicContact CB-CD2 4.45Å; I1160-L1162 HydrophobicContact CG2-CD2 3.66Å; L1162-W1192 HydrophobicContact CB-CH2 4.35Å; L1162-W1192 HydrophobicContact CD2-CH2 3.73Å; L1162-W1192 HydrophobicContact CD2-CZ3 3.86Å; L1162-L1215 HydrophobicContact CD1-CD2 4.14Å; L1162-L1215 HydrophobicContact CD2-CD1 4Å; L1162-L1215 HydrophobicContact CD2-CD2 4.01Å; L1162-L1215 HydrophobicContact CD2-CG 4.42Å; L1162-T1219 HydrophobicContact CD1-CG2 3.39Å; L1162-A1227 HydrophobicContact CD1-CB 4.09Å
1163	H	39.8	Very low	38.5	Very low	112 Å²	112	79.1 Å²	79.1	52%	0.519	44%	0.438	S	S	.	.			trans	-126	139.8	178.5	-90	-96.7	0	0	0	114	N1161	N1161-H1163 PolarHBondContact ND2-O 3.06Å
1164	H	32.4	Very low	38.2	Very low	146 Å²	146	78.8 Å²	78.8	68%	0.676	45%	0.447	S	S	*	.			trans	-104.1	142.2	162.6	-158.6	-72.8	0	0	0	108.9
1165	R	27.4	Very low	38.1	Very low	125 Å²	125	82.1 Å²	82.1	47%	0.472	46%	0.462	S	S	.	.			trans	-76	128.6	-172.3	-76.6	-176.4	174.2	177.9	-1.1	113.6	C550 Q551	C550-R1165 PolarHBondContact O-NH2 3.33Å; Q551-R1165 PolarHBondContact O-NH1 2.85Å
1166	G	26	Very low	37.8	Very low	75 Å²	75	84.7 Å²	84.7	77%	0.773	48%	0.477	S	S	*	.			trans	108.4	136.7	140.4	0	0	0	0	0	117.8
1167	G	24.7	Very low	37.4	Very low	63 Å²	63	87.5 Å²	87.5	65%	0.649	50%	0.5	S	S	*	.			trans	122.1	132.5	164.5	0	0	0	0	0	114.5
1168	S	29	Very low	36.9	Very low	74 Å²	74	86.7 Å²	86.7	52%	0.517	50%	0.496	S	S	.	.	S	Bend	trans	-73.1	159.8	160.4	-179.9	0	0	0	0	109.9
1169	S	28.4	Very low	36.2	Very low	115 Å²	115	91.1 Å²	91.1	80%	0.804	52%	0.52	S	S	*	.			trans	55.4	103.1	-176.7	57.3	0	0	0	0	116.1
1170	V	29.9	Very low	35.6	Very low	114 Å²	114	91.2 Å²	91.2	69%	0.691	52%	0.519	S	S	*	.			trans	-131.8	123.2	151.3	-179.7	0	0	0	0	106.9
1171	D	29.6	Very low	34.6	Very low	145 Å²	145	99.6 Å²	99.6	78%	0.775	56%	0.555	S	S	*	*			trans	-69.3	159.5	-178	-118	-42.8	0	0	0	112.8	Q1173	D1171-Q1173 PolarHBondContact O-N 3.37Å
1172	R	31.4	Very low	33.8	Very low	198 Å²	198	105.6 Å²	105.6	75%	0.747	58%	0.581	S	S	*	*			trans	-53	103.7	-175.4	-71	176.5	169.4	175.8	-3.7	112.8
1173	Q	32.1	Very low	32.9	Very low	133 Å²	133	113.2 Å²	113.2	62%	0.621	62%	0.616	S	S	*	*			trans	-123	133.9	165.9	-65	-163.8	18.2	0	0	111.1	D1171	D1171-Q1173 PolarHBondContact O-N 3.37Å
1174	S	33	Very low	32.3	Very low	88 Å²	88	114.8 Å²	114.8	62%	0.615	63%	0.628	S	S	*	*			trans	-107.7	21.8	-157.5	47.2	0	0	0	0	115.4
1175	T	37.7	Very low	31.9	Very low	101 Å²	101	112.7 Å²	112.7	62%	0.62	63%	0.63	S	S	*	*			trans	-146.3	123.3	179.7	53.9	0	0	0	0	113
1176	V	40	Very low	32	Very low	54 Å²	54	110.3 Å²	110.3	33%	0.327	63%	0.633	S	S	.	*			trans	-81.2	124.9	152.3	172.4	0	0	0	0	107	F1178 W1192 L1216	V1176-F1178 HydrophobicContact CG1-CD2 3.91Å; V1176-F1178 HydrophobicContact CG1-CE2 3.51Å; V1176-F1178 HydrophobicContact CG1-CZ 4.39Å; V1176-W1192 HydrophobicContact CG1-CZ2 4.1Å; V1176-L1216 HydrophobicContact CB-CD1 4.12Å; V1176-L1216 HydrophobicContact CB-CD2 4.01Å; V1176-L1216 HydrophobicContact CB-CG 4.06Å; V1176-L1216 HydrophobicContact CG2-CD2 3.69Å; V1176-L1216 HydrophobicContact CG2-CG 4.21Å
1177	S	38.8	Very low	32	Very low	82 Å²	82	110.2 Å²	110.2	57%	0.573	61%	0.613	S	S	*	*			trans	-132.7	109.1	-174.2	-163.6	0	0	0	0	110.9	N1179	S1177-N1179 PolarHBondContact O-N 3.08Å
1178	F	44.8	Very low	32.5	Very low	30 Å²	30	112.5 Å²	112.5	13%	0.132	61%	0.61	C	S	.	*			trans	-82.6	44.4	178.3	-68.2	-112.8	0	0	0	110.7	V1176 I1180 F1200 I1208 S1212 L1215	V1176-F1178 HydrophobicContact CG1-CD2 3.91Å; V1176-F1178 HydrophobicContact CG1-CE2 3.51Å; V1176-F1178 HydrophobicContact CG1-CZ 4.39Å; F1178-I1180 PolarHBondContact O-N 3.14Å; F1178-I1180 VanDerWaalsContact O-N 3.07Å; F1178-F1200 AromaticContact CD1-CD2 3.61Å; F1178-F1200 HydrophobicContact CD1-CD2 3.61Å; F1178-F1200 HydrophobicContact CD1-CE2 4.09Å; F1178-F1200 HydrophobicContact CD1-CG 4.29Å; F1178-F1200 AromaticContact CE1-CD2 3.68Å; F1178-F1200 HydrophobicContact CE1-CD2 3.68Å; F1178-F1200 AromaticContact CE1-CE2 3.65Å; F1178-F1200 HydrophobicContact CE1-CE2 3.65Å; F1178-I1208 HydrophobicContact CB-CG2 3.33Å; F1178-I1208 HydrophobicContact CD1-CG2 4.49Å; F1178-I1208 HydrophobicContact CG-CG2 3.95Å; F1178-S1212 WeakPolarHBondContact CD2-OG 3.47Å; F1178-S1212 WeakPolarHBondContact CE2-OG 3.4Å; F1178-L1215 HydrophobicContact CZ-CD1 4.03Å
1179	N	37.9	Very low	32.5	Very low	118 Å²	118	118.3 Å²	118.3	63%	0.631	62%	0.621	S	S	*	*			trans	-82.8	95.8	-164.2	-159.7	5.1	0	0	0	112	S1177 K1181	S1177-N1179 PolarHBondContact O-N 3.08Å; N1179-K1181 PolarHBondContact O-N 3.35Å
1180	I	37.9	Very low	32.6	Very low	60 Å²	60	120.6 Å²	120.6	31%	0.308	62%	0.617	S	S	.	*			trans	-80.2	2.6	-174	-71	165.1	0	0	0	112.8	F1178 A1197 F1200 H1201	F1178-I1180 PolarHBondContact O-N 3.14Å; F1178-I1180 VanDerWaalsContact O-N 3.07Å; I1180-A1197 WeakPolarHBondContact CD1-O 3.49Å; I1180-F1200 HydrophobicContact CD1-CB 4.32Å; I1180-H1201 HydrophobicContact CD1-CB 4.04Å; I1180-H1201 HydrophobicContact CG2-CB 4.39Å
1181	K	30.7	Very low	32.7	Very low	177 Å²	177	120.6 Å²	120.6	77%	0.77	62%	0.617	S	S	*	*			trans	-116.6	74.4	-176	-70.5	-173.8	177.1	179.5	0	113.8	N1179	N1179-K1181 PolarHBondContact O-N 3.35Å
1182	E	31.5	Very low	33.4	Very low	180 Å²	180	118.1 Å²	118.1	84%	0.841	60%	0.597	S	S	*	*			trans	-155	93.6	147.1	-122.8	154.4	-141.9	0	0	112.4	N1184	E1182-N1184 PolarHBondContact O-N 3.33Å
1183	Q	27.6	Very low	34	Very low	188 Å²	188	111 Å²	111	88%	0.879	58%	0.578	S	S	*	*			trans	-80.2	90.9	161.1	-73.8	-176.2	-13.6	0	0	108.5
1184	N	27.4	Very low	34.4	Very low	144 Å²	144	111.4 Å²	111.4	77%	0.77	58%	0.58	S	S	*	*	S	Bend	trans	163.6	152.9	136.8	-83.8	-42.1	0	0	0	112.5	E1182	E1182-N1184 PolarHBondContact O-N 3.33Å
1185	S	25	Very low	35	Very low	103 Å²	103	112 Å²	112	72%	0.72	58%	0.58	S	S	*	*			trans	49.6	91.6	167.8	49.9	0	0	0	0	118
1186	S	29.6	Very low	35.7	Very low	75 Å²	75	107.9 Å²	107.9	52%	0.524	55%	0.554	S	S	.	*				37.6	127.5	124.1	59.9	0	0	0	0	118.9
1187	M	26	Very low	36.2	Very low	73 Å²	73	106.7 Å²	106.7	36%	0.36	55%	0.55	S	S	.	.			cis	-162.3	153.2	27.9	164.1	154.2	104.5	0	0	111.9	L474 P475 S476	L474-M1187 HydrophobicContact CB-CB 4.26Å; L474-M1187 HydrophobicContact CB-CE 3.73Å; L474-M1187 HydrophobicContact CB-SD 4.32Å; L474-M1187 HydrophobicContact CD2-CB 4Å; L474-M1187 HydrophobicContact CD2-CE 4.23Å; L474-M1187 HydrophobicContact CD2-SD 3.86Å; L474-M1187 HydrophobicContact CG-CB 4.2Å; P475-M1187 VanDerWaalsContact C-CE 3.47Å; P475-M1187 WeakPolarHBondContact CD-O 3.05Å; P475-M1187 WeakPolarHBondContact CG-O 3.17Å; P475-M1187 WeakPolarHBondContact O-CG 3.39Å; S476-M1187 VanDerWaalsContact N-CE 3.29Å; S476-M1187 WeakPolarHBondContact OG-CE 3.5Å
1188	N	34	Very low	36.6	Very low	111 Å²	111	107 Å²	107	59%	0.594	55%	0.545	S	S	*	.			trans	38.2	103.3	177.1	-69.6	5.2	0	0	0	119.7	P475 S476	P475-N1188 WeakPolarHBondContact O-CB 3.32Å; S476-N1188 WeakPolarHBondContact CB-ND2 3.45Å
1189	R	28.8	Very low	37.1	Very low	195 Å²	195	106.4 Å²	106.4	74%	0.736	54%	0.543	S	S	*	.			trans	-148.2	159.9	138.8	-129.8	171.6	-72.3	-165.7	3.9	110.6
1190	F	30.6	Very low	38	Very low	163 Å²	163	100.9 Å²	100.9	72%	0.715	51%	0.514	S	S	*	.			trans	-58.9	137.3	-161.9	-59.9	-92.2	0	0	0	114.9
1191	T	32.4	Very low	38.6	Very low	114 Å²	114	103.3 Å²	103.3	70%	0.699	52%	0.523	S	S	*	.			trans	-103.3	131.8	175.4	42.3	0	0	0	0	111.6
1192	W	43.9	Very low	39.5	Very low	93 Å²	93	101.2 Å²	101.2	35%	0.352	52%	0.521	S	S	.	.			trans	-83.4	176	171.6	-75.6	59.1	0	0	0	110.7	I1160 N1161 L1162 V1176 Q1194	I1160-W1192 HydrophobicContact CG2-CZ3 4.18Å; N1161-W1192 WeakPolarHBondContact O-CZ3 3.02Å; L1162-W1192 HydrophobicContact CB-CH2 4.35Å; L1162-W1192 HydrophobicContact CD2-CH2 3.73Å; L1162-W1192 HydrophobicContact CD2-CZ3 3.86Å; V1176-W1192 HydrophobicContact CG1-CZ2 4.1Å; W1192-Q1194 PolarHBondContact O-N 2.64Å
1193	S	43.8	Very low	40.4	Very low	50 Å²	50	94.4 Å²	94.4	35%	0.35	49%	0.488	S	S	.	.			trans	-54.4	128.9	170.5	128.4	0	0	0	0	110.2	T1195 D1196 A1197	S1193-T1195 PolarHBondContact O-N 2.75Å; S1193-T1195 VanDerWaalsContact O-N 3.12Å; S1193-T1195 PolarHBondContact OG-N 3.41Å; S1193-T1195 PolarHBondContact OG-OG1 2.84Å; S1193-D1196 WeakPolarHBondContact CB-OD2 3.19Å; S1193-D1196 PolarHBondContact O-N 3.28Å; S1193-D1196 PolarHBondContact OG-N 3.43Å; S1193-D1196 PolarHBondContact OG-OD2 2.83Å; S1193-A1197 PolarHBondContact O-N 3.49Å; S1193-A1197 VanDerWaalsContact O-N 3.12Å
1194	Q	42.1	Very low	41.7	Very low	141 Å²	141	89.6 Å²	89.6	66%	0.659	47%	0.473	S	S	*	.	H	α-helix	trans	-56	-32.1	-179.2	-164.5	79.3	59	0	0	111.5	W1192 N1198	W1192-Q1194 PolarHBondContact O-N 2.64Å; Q1194-N1198 WeakPolarHBondContact O-CB 3.41Å; Q1194-N1198 PolarHBondContact O-N 2.94Å; Q1194-N1198 PolarHBondContact O-ND2 2.76Å; Q1194-N1198 PolarHBondContact O-OD1 3.14Å
1195	T	45.1	Very low	42.9	Very low	101 Å²	101	86.7 Å²	86.7	62%	0.62	46%	0.464	S	S	*	.	H	α-helix	trans	-60.7	-47.2	175.5	1.4	0	0	0	0	112.9	S1193 L1199	S1193-T1195 PolarHBondContact O-N 2.75Å; S1193-T1195 VanDerWaalsContact O-N 3.12Å; S1193-T1195 PolarHBondContact OG-N 3.41Å; S1193-T1195 PolarHBondContact OG-OG1 2.84Å; T1195-L1199 PolarHBondContact O-N 3.49Å
1196	D	51.6	Low	44.3	Very low	13 Å²	13	86.7 Å²	86.7	7%	0.07	45%	0.451	C	S	.	.	H	α-helix	trans	-76.1	-40.2	-177	-59.2	-70.1	0	0	0	111	H1158 S1193 N1198 L1199 F1200	H1158-D1196 IonicContact CD2-OD1 2.64Å; H1158-D1196 IonicContact CE1-OD1 2.68Å; H1158-D1196 IonicContact NE2-OD1 3.95Å; H1158-D1196 PolarHBondContact NE2-OD1 3.18Å; S1193-D1196 WeakPolarHBondContact CB-OD2 3.19Å; S1193-D1196 PolarHBondContact O-N 3.28Å; S1193-D1196 PolarHBondContact OG-N 3.43Å; S1193-D1196 PolarHBondContact OG-OD2 2.83Å; D1196-N1198 PolarHBondContact O-N 3.14Å; D1196-L1199 VanDerWaalsContact O-CB 3.25Å; D1196-L1199 WeakPolarHBondContact O-CB 3.47Å; D1196-L1199 PolarHBondContact O-N 2.91Å; D1196-F1200 WeakPolarHBondContact O-CD2 3.32Å
1197	A	50.5	Low	45.5	Very low	30 Å²	30	83.4 Å²	83.4	25%	0.248	43%	0.428	C	S	.	.	H	α-helix	trans	-60.3	-44	173.4	0	0	0	0	0	112	I1180 S1193 L1199 F1200 H1201	I1180-A1197 WeakPolarHBondContact CD1-O 3.49Å; S1193-A1197 PolarHBondContact O-N 3.49Å; S1193-A1197 VanDerWaalsContact O-N 3.12Å; A1197-L1199 VanDerWaalsContact C-N 3.27Å; A1197-L1199 PolarHBondContact O-N 3.32Å; A1197-F1200 PolarHBondContact O-N 2.75Å; A1197-H1201 PolarHBondContact O-N 2.91Å
1198	N	48.6	Very low	47	Very low	87 Å²	87	80.7 Å²	80.7	47%	0.465	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-27.7	177.8	-72.2	-4.7	0	0	0	112.9	Q1194 D1196 F1200 H1201	Q1194-N1198 WeakPolarHBondContact O-CB 3.41Å; Q1194-N1198 PolarHBondContact O-N 2.94Å; Q1194-N1198 PolarHBondContact O-ND2 2.76Å; Q1194-N1198 PolarHBondContact O-OD1 3.14Å; D1196-N1198 PolarHBondContact O-N 3.14Å; N1198-F1200 VanDerWaalsContact C-N 3.33Å; N1198-F1200 PolarHBondContact O-N 3.14Å; N1198-H1201 VanDerWaalsContact O-CB 3.27Å; N1198-H1201 WeakPolarHBondContact O-CB 3.42Å; N1198-H1201 PolarHBondContact O-N 2.98Å
1199	L	54.2	Low	48.3	Very low	19 Å²	19	79.4 Å²	79.4	10%	0.099	41%	0.408	C	S	.	.	H	α-helix	trans	-62.1	-40.9	177	-160.1	80.5	0	0	0	111.7	Y1156 H1158 T1195 D1196 A1197 F1203 L1231	Y1156-L1199 HydrophobicContact CE2-CD1 4.28Å; H1158-L1199 HydrophobicContact CB-CD2 4.15Å; H1158-L1199 WeakPolarHBondContact CD2-CD2 3.3Å; H1158-L1199 VanDerWaalsContact CG-CD2 3.49Å; T1195-L1199 PolarHBondContact O-N 3.49Å; D1196-L1199 VanDerWaalsContact O-CB 3.25Å; D1196-L1199 WeakPolarHBondContact O-CB 3.47Å; D1196-L1199 PolarHBondContact O-N 2.91Å; A1197-L1199 VanDerWaalsContact C-N 3.27Å; A1197-L1199 PolarHBondContact O-N 3.32Å; L1199-F1203 WeakPolarHBondContact O-CD2 3.19Å; L1199-F1203 WeakPolarHBondContact O-CE2 3.44Å; L1199-L1231 HydrophobicContact CD2-CD1 3.43Å; L1199-L1231 VanDerWaalsContact CD2-CD1 3.43Å; L1199-L1231 HydrophobicContact CG-CD1 4.06Å
1200	F	56.3	Low	49.6	Very low	2 Å²	2	72.4 Å²	72.4	1%	0.009	38%	0.383	C	S	.	.	H	α-helix	trans	-81.3	-12.9	-179.5	-61.7	-63	0	0	0	113.9	I1160 F1178 I1180 D1196 A1197 N1198 N1202 F1203 I1208 I1211	I1160-F1200 HydrophobicContact CD1-CE2 4.36Å; I1160-F1200 HydrophobicContact CD1-CZ 3.76Å; F1178-F1200 AromaticContact CD1-CD2 3.61Å; F1178-F1200 HydrophobicContact CD1-CD2 3.61Å; F1178-F1200 HydrophobicContact CD1-CE2 4.09Å; F1178-F1200 HydrophobicContact CD1-CG 4.29Å; F1178-F1200 AromaticContact CE1-CD2 3.68Å; F1178-F1200 HydrophobicContact CE1-CD2 3.68Å; F1178-F1200 AromaticContact CE1-CE2 3.65Å; F1178-F1200 HydrophobicContact CE1-CE2 3.65Å; I1180-F1200 HydrophobicContact CD1-CB 4.32Å; D1196-F1200 WeakPolarHBondContact O-CD2 3.32Å; A1197-F1200 PolarHBondContact O-N 2.75Å; N1198-F1200 VanDerWaalsContact C-N 3.33Å; N1198-F1200 PolarHBondContact O-N 3.14Å; F1200-N1202 PolarHBondContact O-N 2.97Å; F1200-F1203 HydrophobicContact CD1-CD2 4.37Å; F1200-F1203 PolarHBondContact O-N 3.48Å; F1200-I1208 HydrophobicContact CB-CD1 4.21Å; F1200-I1208 HydrophobicContact CB-CG1 4.23Å; F1200-I1208 HydrophobicContact CB-CG2 4.22Å; F1200-I1208 VanDerWaalsContact O-CD1 3.27Å; F1200-I1208 WeakPolarHBondContact O-CD1 3.42Å; F1200-I1211 HydrophobicContact CD1-CD1 4.24Å; F1200-I1211 HydrophobicContact CE1-CD1 3.77Å; F1200-I1211 HydrophobicContact CE1-CG2 4.04Å; F1200-I1211 HydrophobicContact CZ-CG2 4.22Å
1201	H	51.7	Low	51	Low	110 Å²	110	64.7 Å²	64.7	51%	0.509	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.5	-175.7	-164.9	-47.4	0	0	0	114.7	I1180 A1197 N1198	I1180-H1201 HydrophobicContact CD1-CB 4.04Å; I1180-H1201 HydrophobicContact CG2-CB 4.39Å; A1197-H1201 PolarHBondContact O-N 2.91Å; N1198-H1201 VanDerWaalsContact O-CB 3.27Å; N1198-H1201 WeakPolarHBondContact O-CB 3.42Å; N1198-H1201 PolarHBondContact O-N 2.98Å
1202	N	48.4	Very low	52.2	Low	134 Å²	134	59.5 Å²	59.5	72%	0.717	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-5.4	-180	-68	-26.7	0	0	0	114.2	F1200	F1200-N1202 PolarHBondContact O-N 2.97Å
1203	F	51.2	Low	52.8	Low	37 Å²	37	59.8 Å²	59.8	16%	0.162	33%	0.326	C	S	.	.	S	Bend	trans	-84.1	133.8	177.2	-72.7	-96.4	0	0	0	109.9	L1134 L1199 F1200 S1205 I1207 I1208 L1231	L1134-F1203 HydrophobicContact CD2-CD1 4.46Å; L1134-F1203 HydrophobicContact CD2-CE1 3.83Å; L1199-F1203 WeakPolarHBondContact O-CD2 3.19Å; L1199-F1203 WeakPolarHBondContact O-CE2 3.44Å; F1200-F1203 HydrophobicContact CD1-CD2 4.37Å; F1200-F1203 PolarHBondContact O-N 3.48Å; F1203-S1205 PolarHBondContact O-N 3.18Å; F1203-I1207 HydrophobicContact CB-CB 4.33Å; F1203-I1207 HydrophobicContact CB-CD1 4.43Å; F1203-I1207 HydrophobicContact CD1-CB 4.35Å; F1203-I1207 HydrophobicContact CD1-CD1 3.95Å; F1203-I1207 HydrophobicContact CD1-CG2 3.95Å; F1203-I1208 HydrophobicContact CB-CG1 3.89Å; F1203-I1208 WeakPolarHBondContact O-CD1 3.23Å; F1203-L1231 HydrophobicContact CE1-CD2 4.44Å; F1203-L1231 HydrophobicContact CZ-CB 4.43Å; F1203-L1231 HydrophobicContact CZ-CD2 4.04Å
1204	P	54	Low	53.3	Low	86 Å²	86	59.9 Å²	59.9	56%	0.558	32%	0.319	S	S	*	.			trans	-46.6	136.4	165.3	-31.3	32	0	0	0	111.9	K1206 I1207 I1208	P1204-K1206 PolarHBondContact O-N 2.69Å; P1204-I1207 HydrophobicContact CB-CD1 4.17Å; P1204-I1207 HydrophobicContact CB-CG1 4.23Å; P1204-I1207 HydrophobicContact CG-CD1 4Å; P1204-I1207 WeakPolarHBondContact O-CB 3.48Å; P1204-I1207 PolarHBondContact O-N 3.05Å; P1204-I1208 PolarHBondContact O-N 3.01Å
1205	S	52.9	Low	53.8	Low	83 Å²	83	53.6 Å²	53.6	58%	0.58	29%	0.289	S	S	*	.	H	α-helix	trans	-53.4	-35.3	-170.6	60.7	0	0	0	0	113.2	F1203 I1207 I1208 D1209	F1203-S1205 PolarHBondContact O-N 3.18Å; S1205-I1207 VanDerWaalsContact C-N 3.27Å; S1205-I1207 PolarHBondContact O-N 2.84Å; S1205-I1208 CarbonylContact O-C 3.39Å; S1205-I1208 WeakPolarHBondContact O-CA 3.36Å; S1205-I1208 WeakPolarHBondContact O-CB 3.47Å; S1205-I1208 PolarHBondContact O-N 2.78Å; S1205-D1209 PolarHBondContact O-N 3.26Å; S1205-D1209 VanDerWaalsContact O-OD2 3.12Å
1206	K	54.9	Low	54.1	Low	103 Å²	103	52.4 Å²	52.4	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-35.4	175.6	-165.4	-177.9	-179.4	-176.6	0	113.7	N1142 P1204 E1210	N1142-K1206 PolarHBondContact OD1-NZ 2.72Å; P1204-K1206 PolarHBondContact O-N 2.69Å; K1206-E1210 WeakPolarHBondContact O-CB 3.4Å; K1206-E1210 VanDerWaalsContact O-CG 3.27Å; K1206-E1210 WeakPolarHBondContact O-CG 3.4Å; K1206-E1210 PolarHBondContact O-N 3.22Å
1207	I	55	Low	53.9	Low	7 Å²	7	54 Å²	54	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-74.3	-39	175.5	-44.6	174	0	0	0	110	L1134 H1143 F1203 P1204 S1205 D1209 E1210 I1211	L1134-I1207 HydrophobicContact CD1-CG2 4.18Å; L1134-I1207 HydrophobicContact CD2-CG2 4.07Å; H1143-I1207 HydrophobicContact CB-CG1 4.45Å; H1143-I1207 HydrophobicContact CB-CG2 4.15Å; H1143-I1207 VanDerWaalsContact CD2-CD1 3.49Å; H1143-I1207 WeakPolarHBondContact CD2-CD1 3.45Å; H1143-I1207 WeakPolarHBondContact NE2-CD1 3.35Å; F1203-I1207 HydrophobicContact CB-CB 4.33Å; F1203-I1207 HydrophobicContact CB-CD1 4.43Å; F1203-I1207 HydrophobicContact CD1-CB 4.35Å; F1203-I1207 HydrophobicContact CD1-CD1 3.95Å; F1203-I1207 HydrophobicContact CD1-CG2 3.95Å; P1204-I1207 HydrophobicContact CB-CD1 4.17Å; P1204-I1207 HydrophobicContact CB-CG1 4.23Å; P1204-I1207 HydrophobicContact CG-CD1 4Å; P1204-I1207 WeakPolarHBondContact O-CB 3.48Å; P1204-I1207 PolarHBondContact O-N 3.05Å; S1205-I1207 VanDerWaalsContact C-N 3.27Å; S1205-I1207 PolarHBondContact O-N 2.84Å; I1207-D1209 VanDerWaalsContact C-N 3.29Å; I1207-D1209 PolarHBondContact O-N 2.82Å; I1207-E1210 PolarHBondContact O-N 2.63Å; I1207-I1211 HydrophobicContact CG2-CD1 3.99Å; I1207-I1211 HydrophobicContact CG2-CG1 4.38Å; I1207-I1211 WeakPolarHBondContact O-CB 3.48Å; I1207-I1211 VanDerWaalsContact O-CG1 3.29Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.49Å; I1207-I1211 PolarHBondContact O-N 3.05Å
1208	I	58	Low	53.5	Low	16 Å²	16	55.5 Å²	55.5	8%	0.082	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-45.8	173.8	-49.4	-179.3	0	0	0	109	F1178 F1200 F1203 P1204 S1205 I1211 S1212	F1178-I1208 HydrophobicContact CB-CG2 3.33Å; F1178-I1208 HydrophobicContact CD1-CG2 4.49Å; F1178-I1208 HydrophobicContact CG-CG2 3.95Å; F1200-I1208 HydrophobicContact CB-CD1 4.21Å; F1200-I1208 HydrophobicContact CB-CG1 4.23Å; F1200-I1208 HydrophobicContact CB-CG2 4.22Å; F1200-I1208 VanDerWaalsContact O-CD1 3.27Å; F1200-I1208 WeakPolarHBondContact O-CD1 3.42Å; F1203-I1208 HydrophobicContact CB-CG1 3.89Å; F1203-I1208 WeakPolarHBondContact O-CD1 3.23Å; P1204-I1208 PolarHBondContact O-N 3.01Å; S1205-I1208 CarbonylContact O-C 3.39Å; S1205-I1208 WeakPolarHBondContact O-CA 3.36Å; S1205-I1208 WeakPolarHBondContact O-CB 3.47Å; S1205-I1208 PolarHBondContact O-N 2.78Å; I1208-I1211 PolarHBondContact O-N 3.1Å; I1208-S1212 VanDerWaalsContact O-CB 3.3Å; I1208-S1212 WeakPolarHBondContact O-CB 3.33Å; I1208-S1212 PolarHBondContact O-N 2.78Å; I1208-S1212 PolarHBondContact O-OG 3.23Å
1209	D	59.6	Low	53.2	Low	84 Å²	84	53.9 Å²	53.9	45%	0.449	28%	0.283	S	S	.	.	H	α-helix	trans	-61.5	-43.6	175	-61.3	-38.4	0	0	0	111.5	S1205 I1207 S1212 L1213	S1205-D1209 PolarHBondContact O-N 3.26Å; S1205-D1209 VanDerWaalsContact O-OD2 3.12Å; I1207-D1209 VanDerWaalsContact C-N 3.29Å; I1207-D1209 PolarHBondContact O-N 2.82Å; D1209-S1212 WeakPolarHBondContact O-CB 3.27Å; D1209-S1212 PolarHBondContact O-N 3.13Å; D1209-L1213 VanDerWaalsContact O-CB 3.29Å; D1209-L1213 WeakPolarHBondContact O-CB 3.25Å; D1209-L1213 WeakPolarHBondContact O-CG 3.33Å; D1209-L1213 PolarHBondContact O-N 2.73Å
1210	E	56.7	Low	52.3	Low	47 Å²	47	53.7 Å²	53.7	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-40	175.9	-78.2	168.7	165.3	0	0	112.2	H1143 K1206 I1207 W1214	H1143-E1210 WeakPolarHBondContact CB-OE2 3.47Å; H1143-E1210 PolarHBondContact N-OE2 2.97Å; H1143-E1210 VanDerWaalsContact N-OE2 3.12Å; H1143-E1210 IonicContact ND1-OE2 2.69Å; K1206-E1210 WeakPolarHBondContact O-CB 3.4Å; K1206-E1210 VanDerWaalsContact O-CG 3.27Å; K1206-E1210 WeakPolarHBondContact O-CG 3.4Å; K1206-E1210 PolarHBondContact O-N 3.22Å; I1207-E1210 PolarHBondContact O-N 2.63Å; E1210-W1214 VanDerWaalsContact O-CB 3.28Å; E1210-W1214 WeakPolarHBondContact O-CB 2.84Å; E1210-W1214 PolarHBondContact O-N 3.04Å
1211	I	59.4	Low	51.5	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-70.3	-39.7	173.7	-66	170.6	0	0	0	110.7	L1134 L1145 F1200 I1207 I1208 W1214 L1215 I1229 L1231	L1134-I1211 HydrophobicContact CD1-CD1 4.31Å; L1134-I1211 HydrophobicContact CD1-CG1 4.31Å; L1145-I1211 HydrophobicContact CD1-CG1 4.22Å; F1200-I1211 HydrophobicContact CD1-CD1 4.24Å; F1200-I1211 HydrophobicContact CE1-CD1 3.77Å; F1200-I1211 HydrophobicContact CE1-CG2 4.04Å; F1200-I1211 HydrophobicContact CZ-CG2 4.22Å; I1207-I1211 HydrophobicContact CG2-CD1 3.99Å; I1207-I1211 HydrophobicContact CG2-CG1 4.38Å; I1207-I1211 WeakPolarHBondContact O-CB 3.48Å; I1207-I1211 VanDerWaalsContact O-CG1 3.29Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.49Å; I1207-I1211 PolarHBondContact O-N 3.05Å; I1208-I1211 PolarHBondContact O-N 3.1Å; I1211-W1214 PolarHBondContact O-N 3.05Å; I1211-L1215 HydrophobicContact CG2-CD1 4Å; I1211-L1215 HydrophobicContact CG2-CG 4.45Å; I1211-L1215 WeakPolarHBondContact O-CB 3.32Å; I1211-L1215 VanDerWaalsContact O-CG 3.31Å; I1211-L1215 WeakPolarHBondContact O-CG 3.44Å; I1211-L1215 PolarHBondContact O-N 3.36Å; I1211-I1229 HydrophobicContact CG2-CD1 4.33Å; I1211-L1231 HydrophobicContact CD1-CD2 4.45Å
1212	S	57.6	Low	50.7	Low	6 Å²	6	53.2 Å²	53.2	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-50	176.1	-56	0	0	0	0	111	F1178 I1208 D1209 W1214 L1215 L1216	F1178-S1212 WeakPolarHBondContact CD2-OG 3.47Å; F1178-S1212 WeakPolarHBondContact CE2-OG 3.4Å; I1208-S1212 VanDerWaalsContact O-CB 3.3Å; I1208-S1212 WeakPolarHBondContact O-CB 3.33Å; I1208-S1212 PolarHBondContact O-N 2.78Å; I1208-S1212 PolarHBondContact O-OG 3.23Å; D1209-S1212 WeakPolarHBondContact O-CB 3.27Å; D1209-S1212 PolarHBondContact O-N 3.13Å; S1212-W1214 VanDerWaalsContact C-N 3.35Å; S1212-L1215 PolarHBondContact O-N 2.87Å; S1212-L1216 VanDerWaalsContact O-CB 3.26Å; S1212-L1216 WeakPolarHBondContact O-CB 3.35Å; S1212-L1216 WeakPolarHBondContact O-CG 3.07Å; S1212-L1216 PolarHBondContact O-N 2.79Å
1213	L	56.6	Low	50	Low	99 Å²	99	52.3 Å²	52.3	52%	0.518	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-35.6	177.4	-79.9	163.1	0	0	0	111.7	D1209 N1217	D1209-L1213 VanDerWaalsContact O-CB 3.29Å; D1209-L1213 WeakPolarHBondContact O-CB 3.25Å; D1209-L1213 WeakPolarHBondContact O-CG 3.33Å; D1209-L1213 PolarHBondContact O-N 2.73Å; L1213-N1217 WeakPolarHBondContact O-CB 3.01Å; L1213-N1217 PolarHBondContact O-N 3.15Å; L1213-N1217 PolarHBondContact O-ND2 2.92Å
1214	W	54.2	Low	49.3	Very low	51 Å²	51	58.2 Å²	58.2	19%	0.193	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-47.4	174.3	-176.3	81.9	0	0	0	111.4	T1132 L1145 E1210 I1211 S1212 N1217 H1218 I1229	T1132-W1214 HydrophobicContact CG2-CH2 3.99Å; T1132-W1214 HydrophobicContact CG2-CZ2 3.72Å; T1132-W1214 WeakPolarHBondContact OG1-CH2 3.21Å; L1145-W1214 HydrophobicContact CB-CD2 4.43Å; L1145-W1214 HydrophobicContact CB-CG 4.33Å; L1145-W1214 HydrophobicContact CD1-CB 3.57Å; L1145-W1214 HydrophobicContact CD1-CD2 3.55Å; L1145-W1214 HydrophobicContact CD1-CE3 3.84Å; L1145-W1214 HydrophobicContact CD1-CG 3.4Å; L1145-W1214 VanDerWaalsContact CD1-CG 3.4Å; L1145-W1214 HydrophobicContact CG-CG 4.5Å; E1210-W1214 VanDerWaalsContact O-CB 3.28Å; E1210-W1214 WeakPolarHBondContact O-CB 2.84Å; E1210-W1214 PolarHBondContact O-N 3.04Å; I1211-W1214 PolarHBondContact O-N 3.05Å; S1212-W1214 VanDerWaalsContact C-N 3.35Å; W1214-N1217 PolarHBondContact O-N 2.78Å; W1214-H1218 AromaticContact CD1-CE1 3.33Å; W1214-H1218 AromaticContact CD1-ND1 3.3Å; W1214-H1218 VanDerWaalsContact CD1-ND1 3.3Å; W1214-H1218 AromaticContact CE2-ND1 3.85Å; W1214-H1218 AromaticContact CG-ND1 3.72Å; W1214-H1218 AromaticContact NE1-CE1 3.4Å; W1214-H1218 PolarHBondContact NE1-CE1 3.27Å; W1214-H1218 AromaticContact NE1-CG 3.85Å; W1214-H1218 AromaticContact NE1-ND1 3.35Å; W1214-H1218 PolarHBondContact NE1-ND1 3.04Å; W1214-H1218 AromaticContact NE1-NE2 3.88Å; W1214-H1218 WeakPolarHBondContact O-CB 3.41Å; W1214-H1218 PolarHBondContact O-N 2.93Å; W1214-H1218 PolarHBondContact O-ND1 3.1Å; W1214-I1229 HydrophobicContact CE3-CD1 4.03Å; W1214-I1229 HydrophobicContact CZ3-CD1 3.71Å; W1214-I1229 HydrophobicContact CZ3-CG1 4.16Å
1215	L	53.4	Low	48.6	Very low	9 Å²	9	55.5 Å²	55.5	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-52.5	176.1	-69.3	169.4	0	0	0	111.4	I1160 L1162 F1178 I1211 S1212 N1217 H1218 T1219 A1227 I1229	I1160-L1215 HydrophobicContact CD1-CD1 4.02Å; L1162-L1215 HydrophobicContact CD1-CD2 4.14Å; L1162-L1215 HydrophobicContact CD2-CD1 4Å; L1162-L1215 HydrophobicContact CD2-CD2 4.01Å; L1162-L1215 HydrophobicContact CD2-CG 4.42Å; F1178-L1215 HydrophobicContact CZ-CD1 4.03Å; I1211-L1215 HydrophobicContact CG2-CD1 4Å; I1211-L1215 HydrophobicContact CG2-CG 4.45Å; I1211-L1215 WeakPolarHBondContact O-CB 3.32Å; I1211-L1215 VanDerWaalsContact O-CG 3.31Å; I1211-L1215 WeakPolarHBondContact O-CG 3.44Å; I1211-L1215 PolarHBondContact O-N 3.36Å; S1212-L1215 PolarHBondContact O-N 2.87Å; L1215-N1217 PolarHBondContact O-N 2.87Å; L1215-H1218 PolarHBondContact O-N 3.47Å; L1215-H1218 VanDerWaalsContact O-N 3.13Å; L1215-T1219 PolarHBondContact O-N 3.04Å; L1215-T1219 PolarHBondContact O-OG1 2.76Å; L1215-A1227 HydrophobicContact CD2-CB 3.77Å; L1215-I1229 HydrophobicContact CD2-CD1 4.35Å
1216	L	51.8	Low	48	Very low	77 Å²	77	54.8 Å²	54.8	40%	0.403	28%	0.28	S	S	.	.	H	α-helix	trans	-52	-39.2	175.9	-84.9	166.6	0	0	0	113.3	V1176 S1212	V1176-L1216 HydrophobicContact CB-CD1 4.12Å; V1176-L1216 HydrophobicContact CB-CD2 4.01Å; V1176-L1216 HydrophobicContact CB-CG 4.06Å; V1176-L1216 HydrophobicContact CG2-CD2 3.69Å; V1176-L1216 HydrophobicContact CG2-CG 4.21Å; S1212-L1216 VanDerWaalsContact O-CB 3.26Å; S1212-L1216 WeakPolarHBondContact O-CB 3.35Å; S1212-L1216 WeakPolarHBondContact O-CG 3.07Å; S1212-L1216 PolarHBondContact O-N 2.79Å
1217	N	46.9	Very low	47.7	Very low	45 Å²	45	50.6 Å²	50.6	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-74.2	-45.8	177.9	-90.2	-70.6	0	0	0	112.1	L1213 W1214 L1215 Q1996 Q1999	L1213-N1217 WeakPolarHBondContact O-CB 3.01Å; L1213-N1217 PolarHBondContact O-N 3.15Å; L1213-N1217 PolarHBondContact O-ND2 2.92Å; W1214-N1217 PolarHBondContact O-N 2.78Å; L1215-N1217 PolarHBondContact O-N 2.87Å; N1217-Q1996 PolarHBondContact O-NE2 3.18Å; N1217-Q1999 VanDerWaalsContact CB-NE2 3.3Å; N1217-Q1999 PolarHBondContact O-NE2 3.49Å; N1217-Q1999 PolarHBondContact O-OE1 2.97Å; N1217-Q1999 PolarHBondContact OD1-NE2 3.07Å
1218	H	42.1	Very low	47.5	Very low	63 Å²	63	52 Å²	52	29%	0.292	27%	0.271	S	S	.	.	H	α-helix	trans	-90.7	-11.3	-166.9	-63	82.9	0	0	0	114.2	W1214 L1215 Q1996 Q1999	W1214-H1218 AromaticContact CD1-CE1 3.33Å; W1214-H1218 AromaticContact CD1-ND1 3.3Å; W1214-H1218 VanDerWaalsContact CD1-ND1 3.3Å; W1214-H1218 AromaticContact CE2-ND1 3.85Å; W1214-H1218 AromaticContact CG-ND1 3.72Å; W1214-H1218 AromaticContact NE1-CE1 3.4Å; W1214-H1218 PolarHBondContact NE1-CE1 3.27Å; W1214-H1218 AromaticContact NE1-CG 3.85Å; W1214-H1218 AromaticContact NE1-ND1 3.35Å; W1214-H1218 PolarHBondContact NE1-ND1 3.04Å; W1214-H1218 AromaticContact NE1-NE2 3.88Å; W1214-H1218 WeakPolarHBondContact O-CB 3.41Å; W1214-H1218 PolarHBondContact O-N 2.93Å; W1214-H1218 PolarHBondContact O-ND1 3.1Å; L1215-H1218 PolarHBondContact O-N 3.47Å; L1215-H1218 VanDerWaalsContact O-N 3.13Å; H1218-Q1996 VanDerWaalsContact CA-NE2 3.33Å; H1218-Q1996 PolarHBondContact CD2-OE1 3.01Å; H1218-Q1996 PolarHBondContact O-NE2 2.99Å; H1218-Q1996 PolarHBondContact O-OE1 3.04Å; H1218-Q1999 PolarHBondContact CD2-OE1 3.47Å
1219	T	42.6	Very low	47.5	Very low	53 Å²	53	51.3 Å²	51.3	33%	0.325	27%	0.267	S	S	.	.			trans	-96.6	112.9	161.3	54.7	0	0	0	0	111.8	L1162 L1215	L1162-T1219 HydrophobicContact CD1-CG2 3.39Å; L1215-T1219 PolarHBondContact O-N 3.04Å; L1215-T1219 PolarHBondContact O-OG1 2.76Å
1220	Q	35.7	Very low	47.3	Very low	14 Å²	14	47.3 Å²	47.3	7%	0.065	25%	0.246	C	C	.	.			trans	-69.1	135.1	156.3	-83.9	-165.5	-3.3	0	0	109	Q1222 L1223 I1995 N2055 Y2059	Q1220-Q1222 PolarHBondContact O-N 3.03Å; Q1220-L1223 PolarHBondContact O-N 3.07Å; Q1220-I1995 HydrophobicContact CB-CG2 4.28Å; Q1220-I1995 HydrophobicContact CG-CG2 3.74Å; Q1220-N2055 PolarHBondContact OE1-ND2 3.24Å; Q1220-Y2059 HydrophobicContact CG-CD2 3.94Å; Q1220-Y2059 HydrophobicContact CG-CE2 4.33Å; Q1220-Y2059 VanDerWaalsContact NE2-CD2 3.26Å; Q1220-Y2059 VanDerWaalsContact NE2-CG 3.34Å
1221	P	39.9	Very low	47.2	Very low	81 Å²	81	45.1 Å²	45.1	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	22	-163.1	26.4	-37.8	0	0	0	117.4	N2055	P1221-N2055 WeakPolarHBondContact CD-OD1 3.24Å; P1221-N2055 WeakPolarHBondContact CG-OD1 3.36Å
1222	Q	35.2	Very low	46.4	Very low	22 Å²	22	47.7 Å²	47.7	10%	0.103	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-150.6	19.8	-174.2	-42.1	163.2	-24.7	0	0	113.4	Q1220 Q2051 N2055	Q1220-Q1222 PolarHBondContact O-N 3.03Å; Q1222-Q2051 HydrophobicContact CB-CB 4Å; Q1222-Q2051 HydrophobicContact CB-CG 4.41Å; Q1222-Q2051 VanDerWaalsContact CD-C 3.4Å; Q1222-Q2051 VanDerWaalsContact CD-CA 3.48Å; Q1222-Q2051 VanDerWaalsContact CD-CB 3.42Å; Q1222-Q2051 HydrophobicContact CG-CB 4.02Å; Q1222-Q2051 HydrophobicContact CG-CG 4.3Å; Q1222-Q2051 VanDerWaalsContact NE2-CA 3.26Å; Q1222-Q2051 PolarHBondContact NE2-O 2.03Å; Q1222-Q2051 PolarHBondContact OE1-O 3.2Å; Q1222-N2055 WeakPolarHBondContact CG-OD1 3.26Å; Q1222-N2055 PolarHBondContact OE1-ND2 2.91Å; Q1222-N2055 PolarHBondContact OE1-OD1 3.13Å
1223	L	33.3	Very low	45.6	Very low	115 Å²	115	49 Å²	49	60%	0.602	26%	0.262	S	S	*	.	S	Bend	trans	-117.5	111.8	163.6	-91.1	159.7	0	0	0	107.3	Q1220 G1225 I1995	Q1220-L1223 PolarHBondContact O-N 3.07Å; L1223-G1225 PolarHBondContact O-N 2.89Å; L1223-G1225 VanDerWaalsContact O-N 3.15Å; L1223-I1995 HydrophobicContact CD1-CD1 3.46Å; L1223-I1995 VanDerWaalsContact CD1-CD1 3.46Å
1224	Y	35.8	Very low	44.7	Very low	160 Å²	160	47.2 Å²	47.2	63%	0.627	25%	0.252	S	S	*	.			trans	-51.1	117.1	178.4	-69.2	-94.3	0	0	0	110.5	E232	E232-Y1224 HydrophobicContact CG-CE2 4.46Å; E232-Y1224 VanDerWaalsContact OE1-CE2 3.26Å; E232-Y1224 WeakPolarHBondContact OE1-CE2 3.37Å; E232-Y1224 VanDerWaalsContact OE1-CZ 3.28Å; E232-Y1224 PolarHBondContact OE1-OH 3.18Å
1225	G	38.8	Very low	44	Very low	29 Å²	29	53.2 Å²	53.2	30%	0.299	28%	0.283	S	S	.	.			trans	-139.7	119.4	-166.9	0	0	0	0	0	114.9	L1223	L1223-G1225 PolarHBondContact O-N 2.89Å; L1223-G1225 VanDerWaalsContact O-N 3.15Å
1226	L	40.8	Very low	43.2	Very low	68 Å²	68	57.5 Å²	57.5	36%	0.356	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.5	159	-76.5	158.8	0	0	0	108.2	L554 V1159 I1160 N1161	L554-L1226 HydrophobicContact CB-CD1 4.42Å; V1159-L1226 HydrophobicContact CG1-CB 3.9Å; V1159-L1226 HydrophobicContact CG1-CD2 3.93Å; V1159-L1226 HydrophobicContact CG1-CG 4.44Å; I1160-L1226 WeakPolarHBondContact O-CA 3.27Å; N1161-L1226 HydrophobicContact CB-CD2 3.68Å
1227	A	49.1	Very low	42.5	Very low	15 Å²	15	57.2 Å²	57.2	12%	0.124	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124	-177.8	0	0	0	0	0	111.7	V1159 I1160 L1162 L1215	V1159-A1227 WeakPolarHBondContact CA-O 3.42Å; I1160-A1227 PolarHBondContact N-O 3.38Å; I1160-A1227 PolarHBondContact O-N 3.34Å; L1162-A1227 HydrophobicContact CD1-CB 4.09Å; L1215-A1227 HydrophobicContact CD2-CB 3.77Å
1228	Q	50	Low	41.8	Very low	36 Å²	36	62.2 Å²	62.2	17%	0.168	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.2	-177	-52.1	-168.6	5.3	0	0	110.9	T1132 H1158 V1159	T1132-Q1228 PolarHBondContact N-O 2.91Å; T1132-Q1228 VanDerWaalsContact N-O 3.15Å; H1158-Q1228 CarbonylContact O-C 3.35Å; H1158-Q1228 WeakPolarHBondContact O-CA 3.33Å; V1159-Q1228 HydrophobicContact CG1-CG 4.22Å; V1159-Q1228 HydrophobicContact CG2-CG 4.07Å
1229	I	58.5	Low	41.1	Very low	2 Å²	2	64 Å²	64	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	-174.1	-53.9	-169.4	0	0	0	111.4	T1132 L1145 H1158 I1160 I1211 W1214 L1215 L1231	T1132-I1229 CarbonylContact O-C 3.34Å; T1132-I1229 WeakPolarHBondContact O-CA 3.4Å; L1145-I1229 HydrophobicContact CD2-CG2 3.88Å; H1158-I1229 PolarHBondContact N-O 2.76Å; H1158-I1229 PolarHBondContact O-N 3.03Å; I1160-I1229 HydrophobicContact CD1-CD1 3.61Å; I1160-I1229 HydrophobicContact CD1-CG1 4.17Å; I1211-I1229 HydrophobicContact CG2-CD1 4.33Å; W1214-I1229 HydrophobicContact CE3-CD1 4.03Å; W1214-I1229 HydrophobicContact CZ3-CD1 3.71Å; W1214-I1229 HydrophobicContact CZ3-CG1 4.16Å; L1215-I1229 HydrophobicContact CD2-CD1 4.35Å; I1229-L1231 HydrophobicContact CG2-CD2 3.89Å; I1229-L1231 HydrophobicContact CG2-CG 4.21Å
1230	C	55.1	Low	40.4	Very low	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.9	175.8	-63.9	0	0	0	0	111.2	T1132 V1133 L1134 C1151 Y1156	T1132-C1230 VanDerWaalsContact O-CB 3.24Å; T1132-C1230 WeakPolarHBondContact O-CB 3.12Å; T1132-C1230 PolarHBondContact O-N 2.92Å; T1132-C1230 PolarHBondContact O-SG 3.49Å; V1133-C1230 HydrophobicContact CB-CB 3.99Å; V1133-C1230 HydrophobicContact CG1-CB 4Å; V1133-C1230 HydrophobicContact CG2-CB 3.68Å; L1134-C1230 PolarHBondContact N-O 3.35Å; L1134-C1230 VanDerWaalsContact N-O 3.12Å; C1151-C1230 HydrophobicContact CB-CB 4.38Å; C1151-C1230 WeakPolarHBondContact CB-SG 3.02Å; C1151-C1230 WeakPolarHBondContact SG-CB 3.22Å; C1151-C1230 CovalentContact SG-SG 2Å; C1151-C1230 PolarHBondContact SG-SG 3.48Å; Y1156-C1230 CarbonylContact O-C 3.55Å; Y1156-C1230 VanDerWaalsContact O-CA 3.22Å; Y1156-C1230 WeakPolarHBondContact O-CA 3.38Å
1231	L	53.9	Low	40.1	Very low	1 Å²	1	74.5 Å²	74.5	1%	0.005	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.6	-172.4	-64.9	174.3	0	0	0	112.1	L1134 T1155 Y1156 H1158 L1199 F1203 I1211 I1229 C1233	L1134-L1231 HydrophobicContact CB-CD2 4.44Å; L1134-L1231 HydrophobicContact CD2-CD2 4.26Å; T1155-L1231 CarbonylContact C-O 3.59Å; T1155-L1231 VanDerWaalsContact CA-O 3.26Å; T1155-L1231 WeakPolarHBondContact CA-O 3Å; T1155-L1231 VanDerWaalsContact CB-C 3.46Å; T1155-L1231 WeakPolarHBondContact CB-O 3.32Å; T1155-L1231 VanDerWaalsContact CG2-C 3.4Å; T1155-L1231 WeakPolarHBondContact CG2-O 3Å; Y1156-L1231 VanDerWaalsContact CD1-O 3.31Å; Y1156-L1231 WeakPolarHBondContact CD1-O 3.48Å; Y1156-L1231 HydrophobicContact CD2-CB 4.16Å; Y1156-L1231 HydrophobicContact CE1-CB 4.27Å; Y1156-L1231 HydrophobicContact CE2-CB 3.69Å; Y1156-L1231 HydrophobicContact CE2-CD1 3.92Å; Y1156-L1231 HydrophobicContact CE2-CG 4.34Å; Y1156-L1231 PolarHBondContact N-O 3.17Å; Y1156-L1231 PolarHBondContact O-N 3.43Å; H1158-L1231 HydrophobicContact CB-CD1 4.18Å; L1199-L1231 HydrophobicContact CD2-CD1 3.43Å; L1199-L1231 VanDerWaalsContact CD2-CD1 3.43Å; L1199-L1231 HydrophobicContact CG-CD1 4.06Å; F1203-L1231 HydrophobicContact CE1-CD2 4.44Å; F1203-L1231 HydrophobicContact CZ-CB 4.43Å; F1203-L1231 HydrophobicContact CZ-CD2 4.04Å; I1211-L1231 HydrophobicContact CD1-CD2 4.45Å; I1229-L1231 HydrophobicContact CG2-CD2 3.89Å; I1229-L1231 HydrophobicContact CG2-CG 4.21Å; L1231-C1233 PolarHBondContact O-N 3.21Å
1232	P	43.6	Very low	39.5	Very low	56 Å²	56	79 Å²	79	36%	0.364	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.9	135.1	-177.3	-31.2	36.3	0	0	0	114.3	T1155 Y1156 N1234	T1155-P1232 HydrophobicContact CG2-CG 4.46Å; Y1156-P1232 WeakPolarHBondContact CE1-O 3.27Å; P1232-N1234 PolarHBondContact O-N 3.21Å
1233	C	39.9	Very low	39	Very low	34 Å²	34	82.1 Å²	82.1	23%	0.23	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.4	123.6	167.7	-69.6	0	0	0	0	108.6	G1154 T1155 L1231 P1262	G1154-C1233 WeakPolarHBondContact O-CB 3.41Å; G1154-C1233 PolarHBondContact O-N 3.31Å; G1154-C1233 VanDerWaalsContact O-N 3.15Å; G1154-C1233 PolarHBondContact O-SG 3.15Å; G1154-C1233 VanDerWaalsContact O-SG 3.34Å; T1155-C1233 PolarHBondContact O-SG 2.99Å; L1231-C1233 PolarHBondContact O-N 3.21Å; C1233-P1262 VanDerWaalsContact SG-C 3.53Å; C1233-P1262 WeakPolarHBondContact SG-CA 3.25Å; C1233-P1262 PolarHBondContact SG-O 2.88Å
1234	N	39.2	Very low	38.9	Very low	60 Å²	60	81.5 Å²	81.5	32%	0.321	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-52.1	139.6	176.4	177.4	-10.9	0	0	0	109.7	P1232 Q1236 C1237	P1232-N1234 PolarHBondContact O-N 3.21Å; N1234-Q1236 PolarHBondContact ND2-OE1 3.02Å; N1234-Q1236 PolarHBondContact O-N 3.44Å; N1234-Q1236 WeakPolarHBondContact OD1-CB 3.47Å; N1234-Q1236 WeakPolarHBondContact OD1-CG 3.4Å; N1234-Q1236 PolarHBondContact OD1-N 3.28Å; N1234-C1237 WeakPolarHBondContact O-CA 3.37Å; N1234-C1237 VanDerWaalsContact O-CB 3.24Å; N1234-C1237 WeakPolarHBondContact O-CB 3.43Å; N1234-C1237 PolarHBondContact O-N 2.66Å
1235	E	38.9	Very low	38.6	Very low	177 Å²	177	84.3 Å²	84.3	83%	0.827	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-54.8	-25.7	177.2	-62.9	-173.3	140.8	0	0	112.7	C1237 H1238	E1235-C1237 PolarHBondContact O-N 3.04Å; E1235-H1238 CarbonylContact O-C 3.56Å; E1235-H1238 PolarHBondContact O-N 2.88Å
1236	Q	35.7	Very low	38.1	Very low	99 Å²	99	90.5 Å²	90.5	46%	0.463	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.3	172.9	-65.8	173.8	-27	0	0	113.4	N1234 H1238 S1239 V1255	N1234-Q1236 PolarHBondContact ND2-OE1 3.02Å; N1234-Q1236 PolarHBondContact O-N 3.44Å; N1234-Q1236 WeakPolarHBondContact OD1-CB 3.47Å; N1234-Q1236 WeakPolarHBondContact OD1-CG 3.4Å; N1234-Q1236 PolarHBondContact OD1-N 3.28Å; Q1236-H1238 VanDerWaalsContact C-N 3.32Å; Q1236-S1239 PolarHBondContact O-OG 3.4Å; Q1236-V1255 HydrophobicContact CB-CG1 4.34Å; Q1236-V1255 HydrophobicContact CG-CG1 4.29Å
1237	C	36.9	Very low	37.6	Very low	71 Å²	71	91.8 Å²	91.8	48%	0.48	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-79.6	-8.5	170.3	-58.6	0	0	0	0	113.5	N1234 E1235	N1234-C1237 WeakPolarHBondContact O-CA 3.37Å; N1234-C1237 VanDerWaalsContact O-CB 3.24Å; N1234-C1237 WeakPolarHBondContact O-CB 3.43Å; N1234-C1237 PolarHBondContact O-N 2.66Å; E1235-C1237 PolarHBondContact O-N 3.04Å
1238	H	32.1	Very low	36.7	Very low	151 Å²	151	95.5 Å²	95.5	70%	0.699	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-116.8	37.5	-179.2	-157.8	-46.2	0	0	0	112.1	E1235 Q1236 E1240	E1235-H1238 CarbonylContact O-C 3.56Å; E1235-H1238 PolarHBondContact O-N 2.88Å; Q1236-H1238 VanDerWaalsContact C-N 3.32Å; H1238-E1240 PolarHBondContact O-N 2.96Å
1239	S	28.5	Very low	35.6	Very low	99 Å²	99	101 Å²	101	69%	0.692	54%	0.543	S	S	*	.			trans	-84.2	97.9	177.9	51.7	0	0	0	0	112.9	Q1236	Q1236-S1239 PolarHBondContact O-OG 3.4Å
1240	E	27.7	Very low	34.1	Very low	166 Å²	166	109 Å²	109	78%	0.776	58%	0.584	S	S	*	*			trans	-139.2	103.5	138.9	-85	-139.6	133.8	0	0	112.6	H1238	H1238-E1240 PolarHBondContact O-N 2.96Å
1241	I	28.4	Very low	32.8	Very low	123 Å²	123	112.7 Å²	112.7	63%	0.631	62%	0.622	S	S	*	*			trans	64.8	91.5	133.2	-52.8	168.3	0	0	0	117.2	S1243	I1241-S1243 VanDerWaalsContact CG2-CB 3.5Å
1242	I	27.8	Very low	31.4	Very low	175 Å²	175	117.8 Å²	117.8	90%	0.897	66%	0.658	S	S	*	*			trans	-74.2	111.1	132.7	-63.6	177.7	0	0	0	106.4
1243	S	25.5	Very low	30.5	Very low	88 Å²	88	119.9 Å²	119.9	62%	0.615	67%	0.674	S	S	*	*			trans	-85.4	140.7	-178.4	72.9	0	0	0	0	112.8	I1241	I1241-S1243 VanDerWaalsContact CG2-CB 3.5Å
1244	S	31.4	Very low	29.9	Very low	102 Å²	102	125.9 Å²	125.9	71%	0.713	70%	0.704	S	S	*	*			trans	69.2	143	170.9	77.7	0	0	0	0	117.4
1245	R	29.7	Very low	29.5	Very low	219 Å²	219	128.2 Å²	128.2	83%	0.826	72%	0.72	S	S	*	*			cis	-167.7	151.5	-15.5	-105.7	-169.4	-175.8	125.4	6.9	105.6
1246	Q	28.2	Very low	29.1	Very low	158 Å²	158	122.4 Å²	122.4	74%	0.738	70%	0.702	S	S	*	*			cis	-167.4	161.6	-13.6	-123	179	-108.6	0	0	104.8
1247	S	29.6	Very low	28.7	Very low	96 Å²	96	120.8 Å²	120.8	67%	0.671	70%	0.701	S	S	*	*			cis	-144	-142.9	2.6	46	0	0	0	0	108.1
1248	S	30.5	Very low	28.4	Very low	93 Å²	93	126.5 Å²	126.5	65%	0.65	71%	0.714	S	S	*	*			cis	-162.2	150.3	11.7	-20.6	0	0	0	0	113.4
1249	L	27.7	Very low	28.4	Very low	151 Å²	151	121 Å²	121	79%	0.791	70%	0.698	S	S	*	*			trans	55	97.2	149.7	-62	173.7	0	0	0	121.4
1250	I	25.5	Very low	28.7	Very low	169 Å²	169	119.3 Å²	119.3	87%	0.867	69%	0.685	S	S	*	*				65.7	112.5	129.3	-55.6	170.8	0	0	0	119
1251	G	28.5	Very low	28.9	Very low	78 Å²	78	114.6 Å²	114.6	80%	0.804	67%	0.67	S	S	*	*			trans	-176.9	122.7	157.4	0	0	0	0	0	109.3
1252	S	24.1	Very low	29.2	Very low	109 Å²	109	112.5 Å²	112.5	76%	0.762	67%	0.665	S	S	*	*			trans	-98.2	162.2	-168.1	60.6	0	0	0	0	114.6
1253	S	26.1	Very low	29.5	Very low	100 Å²	100	109.5 Å²	109.5	70%	0.699	65%	0.647	S	S	*	*			trans	55.9	87.4	158.2	56.4	0	0	0	0	117.6
1254	N	27.2	Very low	29.8	Very low	160 Å²	160	106.7 Å²	106.7	86%	0.856	62%	0.624	S	S	*	*				-178.6	89.8	124.2	-90.6	-16	0	0	0	110.9
1255	V	30.2	Very low	30	Very low	108 Å²	108	103.9 Å²	103.9	66%	0.655	60%	0.604	S	S	*	*			trans	-127.1	101.7	164.1	179.1	0	0	0	0	106.2	Q1236	Q1236-V1255 HydrophobicContact CB-CG1 4.34Å; Q1236-V1255 HydrophobicContact CG-CG1 4.29Å
1256	A	29.3	Very low	30.1	Very low	56 Å²	56	98 Å²	98	46%	0.463	59%	0.592	S	S	.	*			trans	-112.1	106.8	-171.4	0	0	0	0	0	110.4	Y1258	A1256-Y1258 HydrophobicContact CB-CD2 4.11Å; A1256-Y1258 HydrophobicContact CB-CE2 3.45Å; A1256-Y1258 VanDerWaalsContact CB-CE2 3.45Å
1257	C	29	Very low	30.2	Very low	64 Å²	64	99.2 Å²	99.2	43%	0.432	59%	0.59	S	S	.	*			trans	-79.1	125.1	171.9	-59.2	0	0	0	0	109.4
1258	Y	28.9	Very low	30.6	Very low	191 Å²	191	98.7 Å²	98.7	75%	0.749	59%	0.585	S	S	*	*			trans	-130.4	120.8	174.7	-67.3	-62.2	0	0	0	110.1	A1256	A1256-Y1258 HydrophobicContact CB-CD2 4.11Å; A1256-Y1258 HydrophobicContact CB-CE2 3.45Å; A1256-Y1258 VanDerWaalsContact CB-CE2 3.45Å
1259	G	33.6	Very low	30.8	Very low	36 Å²	36	97.7 Å²	97.7	37%	0.371	58%	0.582	S	S	.	*	S	Bend	trans	161.7	136.2	-176.5	0	0	0	0	0	111.2	Y1156 S1261	Y1156-G1259 VanDerWaalsContact CD2-CA 3.44Å; G1259-S1261 PolarHBondContact O-N 2.04Å; G1259-S1261 VanDerWaalsContact O-N 3.13Å
1260	P	33.3	Very low	31.9	Very low	64 Å²	64	96.8 Å²	96.8	42%	0.416	57%	0.569	S	S	.	*	S	Bend	trans	-84.3	93	-166.7	-13.3	32.7	0	0	0	114.8	Y1156 Q1157	Y1156-P1260 WeakPolarHBondContact CB-O 3.41Å; Q1157-P1260 WeakPolarHBondContact O-CG 3.39Å
1261	S	33.7	Very low	33.2	Very low	66 Å²	66	89.4 Å²	89.4	46%	0.462	53%	0.533	S	S	.	.			trans	72.9	141.6	169.3	74.1	0	0	0	0	118.5	Y1156 G1259 E1263	Y1156-S1261 WeakPolarHBondContact CA-O 3.24Å; Y1156-S1261 WeakPolarHBondContact CB-O 3.23Å; G1259-S1261 PolarHBondContact O-N 2.04Å; G1259-S1261 VanDerWaalsContact O-N 3.13Å; S1261-E1263 PolarHBondContact O-N 2.04Å
1262	P	33.1	Very low	34.6	Very low	80 Å²	80	86.8 Å²	86.8	52%	0.519	50%	0.503	S	S	.	.	S	Bend	trans	-95.5	13.2	-148.6	-9	30.1	0	0	0	118	T1155 C1233	T1155-P1262 CarbonylContact O-C 3.35Å; T1155-P1262 VanDerWaalsContact O-C 3.23Å; C1233-P1262 VanDerWaalsContact SG-C 3.53Å; C1233-P1262 WeakPolarHBondContact SG-CA 3.25Å; C1233-P1262 PolarHBondContact SG-O 2.88Å
1263	E	34.1	Very low	36.2	Very low	112 Å²	112	84.3 Å²	84.3	52%	0.523	48%	0.477	S	S	.	.			trans	-115.1	33.8	-150	-68.8	170.7	136.5	0	0	114.6	P1152 F1153 G1154 T1155 S1261	P1152-E1263 VanDerWaalsContact O-O 3.1Å; F1153-E1263 VanDerWaalsContact CA-O 3.27Å; F1153-E1263 WeakPolarHBondContact CA-O 3.37Å; F1153-E1263 HydrophobicContact CD2-CB 4.22Å; F1153-E1263 VanDerWaalsContact CD2-O 3.27Å; F1153-E1263 WeakPolarHBondContact CD2-O 2.86Å; F1153-E1263 HydrophobicContact CE2-CB 3.8Å; F1153-E1263 HydrophobicContact CE2-CG 4.12Å; F1153-E1263 HydrophobicContact CZ-CB 4.23Å; F1153-E1263 HydrophobicContact CZ-CG 4.12Å; G1154-E1263 VanDerWaalsContact N-C 3.27Å; T1155-E1263 PolarHBondContact O-N 3.4Å; T1155-E1263 VanDerWaalsContact O-N 3.1Å; S1261-E1263 PolarHBondContact O-N 2.04Å
1264	Q	33	Very low	37.5	Very low	29 Å²	29	84 Å²	84	14%	0.136	46%	0.464	C	S	.	.			trans	-135.4	25.8	-162.4	-49	173.4	-35.8	0	0	126.6	C1151 P1152 T1155 Y1156	C1151-Q1264 VanDerWaalsContact C-CB 3.45Å; C1151-Q1264 CarbonylContact C-O 3.45Å; C1151-Q1264 HydrophobicContact CB-CB 3.46Å; C1151-Q1264 VanDerWaalsContact CB-CB 3.46Å; C1151-Q1264 HydrophobicContact CB-CG 3.65Å; C1151-Q1264 WeakPolarHBondContact O-CB 3.21Å; C1151-Q1264 WeakPolarHBondContact O-CG 3.35Å; C1151-Q1264 WeakPolarHBondContact SG-CB 3.07Å; C1151-Q1264 PolarHBondContact SG-OE1 2.79Å; P1152-Q1264 VanDerWaalsContact CA-C 3.46Å; P1152-Q1264 VanDerWaalsContact CA-O 3.26Å; P1152-Q1264 WeakPolarHBondContact CA-O 3.08Å; P1152-Q1264 WeakPolarHBondContact CB-O 3.3Å; P1152-Q1264 WeakPolarHBondContact CD-O 3.4Å; P1152-Q1264 WeakPolarHBondContact CG-O 3.5Å; T1155-Q1264 WeakPolarHBondContact O-CB 3.44Å; T1155-Q1264 PolarHBondContact O-N 2.73Å; T1155-Q1264 WeakPolarHBondContact OG1-CB 3.04Å; T1155-Q1264 PolarHBondContact OG1-O 3.37Å; Y1156-Q1264 VanDerWaalsContact CA-OE1 3.25Å
1265	C	34.4	Very low	38.3	Very low	42 Å²	42	79.3 Å²	79.3	28%	0.284	45%	0.454	S	S	.	.			trans	-135.3	112.9	177	-161.9	0	0	0	0	121.2	F1153 G1154 T1155	F1153-C1265 CarbonylContact O-C 3.49Å; F1153-C1265 PolarHBondContact O-N 3.21Å; G1154-C1265 VanDerWaalsContact C-CB 3.48Å; G1154-C1265 VanDerWaalsContact CA-N 3.32Å; T1155-C1265 HydrophobicContact CG2-CB 3.35Å
1266	V	32.2	Very low	38.7	Very low	96 Å²	96	80.3 Å²	80.3	58%	0.582	45%	0.446	S	S	*	.			trans	-161	156.6	172.7	-112.3	0	0	0	0	119.9	P1152 F1153	P1152-V1266 HydrophobicContact CB-CG2 4.09Å; F1153-V1266 HydrophobicContact CB-CG2 3.78Å
1267	R	31.5	Very low	39.9	Very low	184 Å²	184	80 Å²	80	69%	0.694	44%	0.44	S	S	*	.			trans	59.4	119.3	155.5	-71.8	-177.9	178.9	175.8	2	121.7
1268	C	37.5	Very low	40.9	Very low	85 Å²	85	79.1 Å²	79.1	57%	0.574	43%	0.433	S	S	*	.			trans	-156.5	161.9	161.6	-145.9	0	0	0	0	112	C1277	C1268-C1277 WeakPolarHBondContact SG-CB 3.29Å
1269	A	35.1	Very low	42.1	Very low	71 Å²	71	75.1 Å²	75.1	59%	0.587	43%	0.432	S	S	*	.			trans	-155	-76.2	-169.6	0	0	0	0	0	121
1270	Y	49.5	Very low	43.5	Very low	133 Å²	133	78.5 Å²	78.5	52%	0.522	45%	0.446	S	S	.	.	S	Bend		-87.8	-51.7	-129.5	-99.4	-60.1	0	0	0	120.2	I1312	Y1270-I1312 HydrophobicContact CD1-CG2 4.24Å; Y1270-I1312 HydrophobicContact CE1-CD1 4.17Å; Y1270-I1312 HydrophobicContact CE1-CG1 4.38Å; Y1270-I1312 HydrophobicContact CE1-CG2 4.06Å
1271	A	53.2	Low	45.2	Very low	13 Å²	13	77.4 Å²	77.4	11%	0.107	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.4	-176.3	0	0	0	0	0	111.3	C1277 V1278	A1271-C1277 CarbonylContact O-C 3.48Å; A1271-C1277 WeakPolarHBondContact O-CA 3.35Å; A1271-V1278 WeakPolarHBondContact CA-O 3.14Å; A1271-V1278 HydrophobicContact CB-CG2 4.27Å; A1271-V1278 WeakPolarHBondContact CB-O 3.25Å; A1271-V1278 PolarHBondContact N-O 2.92Å; A1271-V1278 PolarHBondContact O-N 2.98Å
1272	S	58.1	Low	46.8	Very low	23 Å²	23	76.7 Å²	76.7	16%	0.161	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.7	-175.1	64.3	0	0	0	0	113.8	R1276 F1315	S1272-R1276 WeakPolarHBondContact CA-O 3.44Å; S1272-F1315 PolarHBondContact N-O 3.35Å; S1272-F1315 PolarHBondContact OG-O 3.12Å
1273	Y	57.4	Low	48.4	Very low	58 Å²	58	79 Å²	79	23%	0.227	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.7	165	-179.5	-122	0	0	0	108.2	G1275 R1276 P1282 T1285 C1317	Y1273-G1275 VanDerWaalsContact C-N 3.28Å; Y1273-G1275 PolarHBondContact O-N 3.16Å; Y1273-R1276 PolarHBondContact N-O 2.89Å; Y1273-R1276 PolarHBondContact O-N 3.37Å; Y1273-R1276 VanDerWaalsContact O-N 3.09Å; Y1273-P1282 HydrophobicContact CD1-CG 3.67Å; Y1273-P1282 HydrophobicContact CE1-CG 3.89Å; Y1273-P1282 HydrophobicContact CG-CG 4.04Å; Y1273-T1285 HydrophobicContact CE2-CG2 3.72Å; Y1273-C1317 HydrophobicContact CD2-CB 3.69Å; Y1273-C1317 WeakPolarHBondContact CD2-O 3.08Å; Y1273-C1317 HydrophobicContact CE2-CB 4.39Å; Y1273-C1317 HydrophobicContact CG-CB 4.37Å
1274	Q	52.7	Low	50.2	Low	92 Å²	92	75.5 Å²	75.5	43%	0.43	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	43	52.9	-172.9	-68.7	163.9	-87.7	0	0	112.7	R1276 D2004	Q1274-R1276 PolarHBondContact O-N 2.77Å; Q1274-D2004 PolarHBondContact NE2-OD2 3.32Å; Q1274-D2004 PolarHBondContact OE1-OD2 2.77Å
1275	G	44.6	Very low	52.5	Low	62 Å²	62	75 Å²	75	64%	0.639	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	-27.7	179.4	0	0	0	0	0	116.1	Y1273	Y1273-G1275 VanDerWaalsContact C-N 3.28Å; Y1273-G1275 PolarHBondContact O-N 3.16Å
1276	R	39.8	Very low	54.7	Low	129 Å²	129	74.9 Å²	74.9	49%	0.487	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	137.3	-174.5	-67.1	176.6	175	174.1	-2	112.3	S1272 Y1273 Q1274 V1278 Q2000	S1272-R1276 WeakPolarHBondContact CA-O 3.44Å; Y1273-R1276 PolarHBondContact N-O 2.89Å; Y1273-R1276 PolarHBondContact O-N 3.37Å; Y1273-R1276 VanDerWaalsContact O-N 3.09Å; Q1274-R1276 PolarHBondContact O-N 2.77Å; R1276-V1278 PolarHBondContact O-N 2.98Å; R1276-Q2000 VanDerWaalsContact NH1-NE2 3.11Å
1277	C	53.3	Low	56.7	Low	49 Å²	49	74.2 Å²	74.2	33%	0.331	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	115.9	171.8	-84.8	0	0	0	0	111.4	C1268 A1271	C1268-C1277 WeakPolarHBondContact SG-CB 3.29Å; A1271-C1277 CarbonylContact O-C 3.48Å; A1271-C1277 WeakPolarHBondContact O-CA 3.35Å
1278	V	50.6	Low	58.6	Low	47 Å²	47	70.9 Å²	70.9	29%	0.285	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	165.2	175.5	-65.1	0	0	0	0	110.2	A1271 R1276	A1271-V1278 WeakPolarHBondContact CA-O 3.14Å; A1271-V1278 HydrophobicContact CB-CG2 4.27Å; A1271-V1278 WeakPolarHBondContact CB-O 3.25Å; A1271-V1278 PolarHBondContact N-O 2.92Å; A1271-V1278 PolarHBondContact O-N 2.98Å; R1276-V1278 PolarHBondContact O-N 2.98Å
1279	S	53.7	Low	59.8	Low	106 Å²	106	73.4 Å²	73.4	74%	0.741	43%	0.428	S	S	*	.	S	Bend	trans	-89	-31.8	177.6	45.3	0	0	0	0	113.7
1280	T	63.1	Low	60.8	Low	108 Å²	108	74.5 Å²	74.5	66%	0.663	42%	0.419	S	S	*	.	S	Bend	trans	-150.9	159.7	-178.2	48.4	0	0	0	0	111
1281	C	69.5	Low	60.5	Low	41 Å²	41	72.6 Å²	72.6	28%	0.277	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-72.7	142.6	177.9	-71.7	0	0	0	0	113.4	C1317	C1281-C1317 WeakPolarHBondContact CA-SG 2.81Å; C1281-C1317 HydrophobicContact CB-CB 3.59Å; C1281-C1317 WeakPolarHBondContact CB-SG 3.08Å; C1281-C1317 WeakPolarHBondContact SG-CB 3.38Å; C1281-C1317 CovalentContact SG-SG 2.03Å; C1281-C1317 PolarHBondContact SG-SG 3.44Å
1282	P	66.1	Low	59.7	Low	51 Å²	51	80.1 Å²	80.1	33%	0.331	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-73.1	154.6	178.9	-18.3	32.7	0	0	0	114.8	Y1273 T1285	Y1273-P1282 HydrophobicContact CD1-CG 3.67Å; Y1273-P1282 HydrophobicContact CE1-CG 3.89Å; Y1273-P1282 HydrophobicContact CG-CG 4.04Å; P1282-T1285 HydrophobicContact CB-CG2 4.37Å; P1282-T1285 WeakPolarHBondContact O-CB 3.46Å; P1282-T1285 PolarHBondContact O-N 3.36Å; P1282-T1285 PolarHBondContact O-OG1 3.08Å
1283	S	67.3	Low	58.4	Low	129 Å²	129	89.3 Å²	89.3	90%	0.902	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	143.9	167.6	-60.2	0	0	0	0	111.6
1284	G	71	Confident	57.1	Low	38 Å²	38	93.8 Å²	93.8	39%	0.392	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	4.2	-171.3	0	0	0	0	0	114	C1320	G1284-C1320 VanDerWaalsContact C-SG 3.55Å; G1284-C1320 WeakPolarHBondContact O-CB 3.46Å; G1284-C1320 PolarHBondContact O-N 3.18Å; G1284-C1320 PolarHBondContact O-SG 2.55Å
1285	T	81.6	Confident	56	Low	18 Å²	18	99.6 Å²	99.6	11%	0.11	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159.4	169.2	78.5	0	0	0	0	111.1	Y1273 P1282 C1317 L1318	Y1273-T1285 HydrophobicContact CE2-CG2 3.72Å; P1282-T1285 HydrophobicContact CB-CG2 4.37Å; P1282-T1285 WeakPolarHBondContact O-CB 3.46Å; P1282-T1285 PolarHBondContact O-N 3.36Å; P1282-T1285 PolarHBondContact O-OG1 3.08Å; T1285-C1317 WeakPolarHBondContact OG1-CB 3.41Å; T1285-L1318 CarbonylContact C-O 3.02Å; T1285-L1318 WeakPolarHBondContact CA-O 3.12Å; T1285-L1318 VanDerWaalsContact CB-O 3.27Å; T1285-L1318 WeakPolarHBondContact CB-O 3.47Å
1286	Y	81.9	Confident	55.3	Low	39 Å²	39	103.4 Å²	103.4	15%	0.153	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.7	140.9	170	67.1	-81.9	0	0	0	110.6	K1288 L1318 P1331	Y1286-K1288 PolarHBondContact O-N 2.93Å; Y1286-L1318 HydrophobicContact CD1-CB 4.35Å; Y1286-L1318 WeakPolarHBondContact CD1-O 3.33Å; Y1286-L1318 HydrophobicContact CE1-CB 3.77Å; Y1286-L1318 WeakPolarHBondContact CE1-O 3.08Å; Y1286-L1318 HydrophobicContact CE2-CB 4.39Å; Y1286-L1318 PolarHBondContact N-O 2.87Å; Y1286-L1318 PolarHBondContact O-N 2.95Å; Y1286-P1331 HydrophobicContact CE1-CB 4.34Å
1287	P	73.6	Confident	54.7	Low	83 Å²	83	102.5 Å²	102.5	54%	0.539	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80	113.2	-178.5	30	-33.6	0	0	0	111.9	F1315	P1287-F1315 HydrophobicContact CB-CD1 4.36Å
1288	K	72	Confident	53.5	Low	114 Å²	114	106 Å²	106	50%	0.496	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.4	127	170	-166.4	172.3	-179.3	178.7	0	109.5	Y1286 K1290 E1316 L1318	Y1286-K1288 PolarHBondContact O-N 2.93Å; K1288-K1290 PolarHBondContact O-N 2.79Å; K1288-E1316 WeakPolarHBondContact CB-O 3.28Å; K1288-E1316 PolarHBondContact N-O 2.78Å; K1288-E1316 PolarHBondContact O-N 2.85Å; K1288-L1318 HydrophobicContact CB-CD1 4.14Å; K1288-L1318 HydrophobicContact CD-CD1 3.47Å; K1288-L1318 VanDerWaalsContact CD-CD1 3.47Å; K1288-L1318 HydrophobicContact CG-CD1 4.48Å
1289	K	62.5	Low	52.6	Low	138 Å²	138	112.2 Å²	112.2	60%	0.6	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.7	128.6	169.9	-84.7	-171.1	171.7	-175.4	0	109.4	S1291 F1315	K1289-S1291 PolarHBondContact O-N 3.35Å; K1289-S1291 VanDerWaalsContact O-N 3.15Å; K1289-F1315 HydrophobicContact CD-CE1 4.45Å; K1289-F1315 HydrophobicContact CG-CD1 3.96Å; K1289-F1315 HydrophobicContact CG-CE1 3.62Å
1290	K	55.6	Low	51.4	Low	94 Å²	94	114.7 Å²	114.7	41%	0.409	62%	0.618	S	S	.	*			trans	-66.1	112.8	166.4	-93.2	175.2	168.9	151.6	0	109.1	K1288 L1292 S1314 E1316	K1288-K1290 PolarHBondContact O-N 2.79Å; K1290-L1292 PolarHBondContact O-N 2.93Å; K1290-S1314 PolarHBondContact N-O 3.13Å; K1290-E1316 HydrophobicContact CD-CB 4.41Å; K1290-E1316 WeakPolarHBondContact CE-OE1 3.35Å; K1290-E1316 WeakPolarHBondContact CE-OE2 3.45Å; K1290-E1316 HydrophobicContact CG-CB 4.29Å; K1290-E1316 IonicContact NZ-OE1 2.85Å; K1290-E1316 PolarHBondContact NZ-OE1 2.77Å; K1290-E1316 IonicContact NZ-OE2 2.67Å
1291	S	43.4	Very low	49.7	Very low	93 Å²	93	116.2 Å²	116.2	65%	0.65	62%	0.621	S	S	*	*			trans	-76.5	90.9	-177.3	170.4	0	0	0	0	110.6	K1289 R1293	K1289-S1291 PolarHBondContact O-N 3.35Å; K1289-S1291 VanDerWaalsContact O-N 3.15Å; S1291-R1293 PolarHBondContact O-N 3.47Å; S1291-R1293 VanDerWaalsContact O-N 3.09Å
1292	L	36.4	Very low	47.7	Very low	171 Å²	171	119.9 Å²	119.9	90%	0.895	64%	0.638	S	S	*	*			trans	-53.8	113.3	164.7	-74.7	165.1	0	0	0	110	K1290	K1290-L1292 PolarHBondContact O-N 2.93Å
1293	R	29.4	Very low	45.8	Very low	215 Å²	215	126.8 Å²	126.8	81%	0.811	66%	0.659	S	S	*	*			trans	-140.5	147.6	166.4	-73.2	-168	-177.2	-131.2	0.6	109.5	S1291	S1291-R1293 PolarHBondContact O-N 3.47Å; S1291-R1293 VanDerWaalsContact O-N 3.09Å
1294	N	31.2	Very low	44.1	Very low	153 Å²	153	130.7 Å²	130.7	82%	0.818	66%	0.656	S	S	*	*			trans	68.6	58.8	172.2	-53.1	11.4	0	0	0	115.2
1295	F	28.7	Very low	42	Very low	213 Å²	213	137 Å²	137	93%	0.934	68%	0.679	S	S	*	*				-81.8	134.9	124.7	-103.5	-87.3	0	0	0	107.4
1296	D	30.3	Very low	39.3	Very low	143 Å²	143	139 Å²	139	77%	0.765	70%	0.703	S	S	*	*			trans	-114.4	143.8	174.2	-149.8	55.7	0	0	0	108.2
1297	P	26.7	Very low	36.8	Very low	109 Å²	109	148.5 Å²	148.5	71%	0.708	74%	0.74	S	S	*	*			trans	-124.8	78.3	-130.5	37.7	-23	0	0	0	113.5
1298	T	28.9	Very low	34.7	Very low	124 Å²	124	152.8 Å²	152.8	76%	0.761	76%	0.757	S	S	*	*			trans	-130.5	-5.8	-171.1	50.3	0	0	0	0	116.8
1299	L	31.8	Very low	32.7	Very low	177 Å²	177	152.9 Å²	152.9	93%	0.927	77%	0.77	S	S	*	*			trans	-129.6	70	176.8	-78.3	171	0	0	0	112.1
1300	L	28.4	Very low	31.2	Very low	158 Å²	158	153.4 Å²	153.4	83%	0.827	78%	0.779	S	S	*	*			trans	-131.4	109.4	162.7	-168.8	94.3	0	0	0	108.2
1301	N	27.8	Very low	30.2	Very low	139 Å²	139	156 Å²	156	74%	0.743	80%	0.798	S	S	*	*			trans	170.1	145.5	161.3	-99.3	18.3	0	0	0	107.8
1302	D	26.8	Very low	30.2	Very low	118 Å²	118	157.8 Å²	157.8	63%	0.631	80%	0.799	S	S	*	*	S	Bend	cis	-136.9	163.9	5.6	-86.1	-59.3	0	0	0	111.3
1303	Y	27.3	Very low	30.7	Very low	197 Å²	197	152.7 Å²	152.7	77%	0.773	78%	0.775	S	S	*	*	S	Bend	trans	54.7	106.1	169	-67.3	-74.2	0	0	0	116.8
1304	Y	30.5	Very low	31.9	Very low	211 Å²	211	145.2 Å²	145.2	83%	0.827	76%	0.755	S	S	*	*			cis	-151.4	145.6	32.2	-115.5	-85.6	0	0	0	112.1
1305	I	26.9	Very low	33.2	Very low	171 Å²	171	141.5 Å²	141.5	88%	0.877	73%	0.732	S	S	*	*			trans	-101.7	129.7	171.6	-64.2	174	0	0	0	109.5
1306	G	25.9	Very low	35.1	Very low	60 Å²	60	134.8 Å²	134.8	62%	0.619	70%	0.703	S	S	*	*			trans	170.7	123.5	171	0	0	0	0	0	113.3
1307	Y	29.2	Very low	37.3	Very low	238 Å²	238	128.2 Å²	128.2	93%	0.933	67%	0.669	S	S	*	*			trans	66.5	72.8	173.3	-59.9	-78.3	0	0	0	118.5
1308	L	28.2	Very low	39.6	Very low	172 Å²	172	125.7 Å²	125.7	90%	0.901	65%	0.649	S	S	*	*			trans	-142.1	120.5	144.8	-101.3	170.1	0	0	0	108.6
1309	P	31.7	Very low	42.2	Very low	117 Å²	117	123.4 Å²	123.4	76%	0.76	64%	0.638	S	S	*	*			trans	-91.3	155.7	179.4	35.4	-33.9	0	0	0	113
1310	D	29.7	Very low	44.7	Very low	148 Å²	148	116.2 Å²	116.2	79%	0.791	60%	0.602	S	S	*	*	S	Bend	trans	-72.2	132.6	-176.3	-47.8	-94.5	0	0	0	113.9
1311	N	35.9	Very low	47.3	Very low	149 Å²	149	111.4 Å²	111.4	80%	0.797	58%	0.576	S	S	*	*			trans	148.1	76.5	142.8	-82.1	-62.5	0	0	0	113.3
1312	I	43.4	Very low	50	Low	131 Å²	131	112 Å²	112	67%	0.672	57%	0.571	S	S	*	*			trans	-132.6	79.4	158.6	-50.8	176.9	0	0	0	109.1	Y1270	Y1270-I1312 HydrophobicContact CD1-CG2 4.24Å; Y1270-I1312 HydrophobicContact CE1-CD1 4.17Å; Y1270-I1312 HydrophobicContact CE1-CG1 4.38Å; Y1270-I1312 HydrophobicContact CE1-CG2 4.06Å
1313	T	47	Very low	52.8	Low	64 Å²	64	107.4 Å²	107.4	39%	0.393	55%	0.546	S	S	.	.			trans	-84.5	116.5	165.2	53	0	0	0	0	109	F1315	T1313-F1315 WeakPolarHBondContact O-CD2 3.33Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.3Å; T1313-F1315 WeakPolarHBondContact OG1-CE2 3.46Å; T1313-F1315 WeakPolarHBondContact OG1-CZ 3.43Å
1314	S	53.7	Low	55.5	Low	58 Å²	58	98.7 Å²	98.7	41%	0.406	51%	0.514	S	S	.	.			trans	-69.3	134.4	170.3	52.6	0	0	0	0	110.5	K1290	K1290-S1314 PolarHBondContact N-O 3.13Å
1315	F	59.6	Low	57.8	Low	74 Å²	74	93.1 Å²	93.1	33%	0.325	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.2	179.1	-60.8	-84.7	0	0	0	110.1	S1272 P1287 K1289 T1313	S1272-F1315 PolarHBondContact N-O 3.35Å; S1272-F1315 PolarHBondContact OG-O 3.12Å; P1287-F1315 HydrophobicContact CB-CD1 4.36Å; K1289-F1315 HydrophobicContact CD-CE1 4.45Å; K1289-F1315 HydrophobicContact CG-CD1 3.96Å; K1289-F1315 HydrophobicContact CG-CE1 3.62Å; T1313-F1315 WeakPolarHBondContact O-CD2 3.33Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.3Å; T1313-F1315 WeakPolarHBondContact OG1-CE2 3.46Å; T1313-F1315 WeakPolarHBondContact OG1-CZ 3.43Å
1316	E	66.5	Low	60.1	Low	72 Å²	72	90 Å²	90	34%	0.336	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.7	175.3	179.6	162.4	-107.4	0	0	108.4	K1288 K1290 L1318	K1288-E1316 WeakPolarHBondContact CB-O 3.28Å; K1288-E1316 PolarHBondContact N-O 2.78Å; K1288-E1316 PolarHBondContact O-N 2.85Å; K1290-E1316 HydrophobicContact CD-CB 4.41Å; K1290-E1316 WeakPolarHBondContact CE-OE1 3.35Å; K1290-E1316 WeakPolarHBondContact CE-OE2 3.45Å; K1290-E1316 HydrophobicContact CG-CB 4.29Å; K1290-E1316 IonicContact NZ-OE1 2.85Å; K1290-E1316 PolarHBondContact NZ-OE1 2.77Å; K1290-E1316 IonicContact NZ-OE2 2.67Å; E1316-L1318 HydrophobicContact CG-CD2 4.44Å
1317	C	77.8	Confident	62.5	Low	5 Å²	5	88 Å²	88	3%	0.034	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.5	-171.4	-33.3	0	0	0	0	109.9	Y1273 C1281 T1285	Y1273-C1317 HydrophobicContact CD2-CB 3.69Å; Y1273-C1317 WeakPolarHBondContact CD2-O 3.08Å; Y1273-C1317 HydrophobicContact CE2-CB 4.39Å; Y1273-C1317 HydrophobicContact CG-CB 4.37Å; C1281-C1317 WeakPolarHBondContact CA-SG 2.81Å; C1281-C1317 HydrophobicContact CB-CB 3.59Å; C1281-C1317 WeakPolarHBondContact CB-SG 3.08Å; C1281-C1317 WeakPolarHBondContact SG-CB 3.38Å; C1281-C1317 CovalentContact SG-SG 2.03Å; C1281-C1317 PolarHBondContact SG-SG 3.44Å; T1285-C1317 WeakPolarHBondContact OG1-CB 3.41Å
1318	L	75.1	Confident	65.2	Low	56 Å²	56	77.5 Å²	77.5	29%	0.293	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.7	-175	-62.6	-179.2	0	0	0	111.9	T1285 Y1286 K1288 E1316	T1285-L1318 CarbonylContact C-O 3.02Å; T1285-L1318 WeakPolarHBondContact CA-O 3.12Å; T1285-L1318 VanDerWaalsContact CB-O 3.27Å; T1285-L1318 WeakPolarHBondContact CB-O 3.47Å; Y1286-L1318 HydrophobicContact CD1-CB 4.35Å; Y1286-L1318 WeakPolarHBondContact CD1-O 3.33Å; Y1286-L1318 HydrophobicContact CE1-CB 3.77Å; Y1286-L1318 WeakPolarHBondContact CE1-O 3.08Å; Y1286-L1318 HydrophobicContact CE2-CB 4.39Å; Y1286-L1318 PolarHBondContact N-O 2.87Å; Y1286-L1318 PolarHBondContact O-N 2.95Å; K1288-L1318 HydrophobicContact CB-CD1 4.14Å; K1288-L1318 HydrophobicContact CD-CD1 3.47Å; K1288-L1318 VanDerWaalsContact CD-CD1 3.47Å; K1288-L1318 HydrophobicContact CG-CD1 4.48Å; E1316-L1318 HydrophobicContact CG-CD2 4.44Å
1319	S	83.1	Confident	67.7	Low	76 Å²	76	73.7 Å²	73.7	53%	0.531	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	149.3	-171.1	-46	0	0	0	0	114.8
1320	C	84.4	Confident	70	Confident	27 Å²	27	68.2 Å²	68.2	18%	0.182	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-80.3	166.9	176.2	-66.9	0	0	0	0	114.2	G1284 C1328	G1284-C1320 VanDerWaalsContact C-SG 3.55Å; G1284-C1320 WeakPolarHBondContact O-CB 3.46Å; G1284-C1320 PolarHBondContact O-N 3.18Å; G1284-C1320 PolarHBondContact O-SG 2.55Å; C1320-C1328 WeakPolarHBondContact CA-SG 3.4Å; C1320-C1328 HydrophobicContact CB-CB 3.63Å; C1320-C1328 WeakPolarHBondContact CB-SG 3.3Å; C1320-C1328 WeakPolarHBondContact SG-CB 3.37Å; C1320-C1328 PolarHBondContact SG-N 2.94Å; C1320-C1328 CovalentContact SG-SG 2.03Å; C1320-C1328 PolarHBondContact SG-SG 3.35Å
1321	H	83.6	Confident	72.3	Confident	57 Å²	57	64.5 Å²	64.5	26%	0.264	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-67.2	143.7	173.3	-171.8	-104.5	0	0	0	112.8	E1323 C1324 T1332 A1333	H1321-E1323 VanDerWaalsContact C-N 3.26Å; H1321-E1323 PolarHBondContact ND1-N 3.05Å; H1321-E1323 PolarHBondContact O-N 3.36Å; H1321-E1323 VanDerWaalsContact O-N 3.13Å; H1321-C1324 VanDerWaalsContact O-CB 3.28Å; H1321-C1324 WeakPolarHBondContact O-CB 3.25Å; H1321-C1324 PolarHBondContact O-N 2.57Å; H1321-C1324 PolarHBondContact O-SG 3.47Å; H1321-T1332 VanDerWaalsContact CB-C 3.49Å; H1321-T1332 WeakPolarHBondContact CB-O 3.2Å; H1321-A1333 WeakPolarHBondContact ND1-CA 3.07Å; H1321-A1333 WeakPolarHBondContact ND1-CB 3.21Å
1322	K	83.2	Confident	74.5	Confident	151 Å²	151	60.5 Å²	60.5	66%	0.657	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.5	-171.5	69.4	-178.8	-175.5	177	0	116.4
1323	E	85.6	Confident	76.4	Confident	21 Å²	21	55 Å²	55	10%	0.098	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-3.2	179.4	-57.1	-63.2	146.6	0	0	112.5	H1321 R1340 H1341 C1355	H1321-E1323 VanDerWaalsContact C-N 3.26Å; H1321-E1323 PolarHBondContact ND1-N 3.05Å; H1321-E1323 PolarHBondContact O-N 3.36Å; H1321-E1323 VanDerWaalsContact O-N 3.13Å; E1323-R1340 VanDerWaalsContact O-CB 3.28Å; E1323-R1340 WeakPolarHBondContact O-CB 3.22Å; E1323-R1340 PolarHBondContact O-N 2.79Å; E1323-H1341 IonicContact OE2-CE1 3.73Å; E1323-H1341 IonicContact OE2-CG 3.39Å; E1323-H1341 IonicContact OE2-ND1 3.03Å; E1323-H1341 PolarHBondContact OE2-ND1 3.31Å; E1323-C1355 HydrophobicContact CB-CB 3.46Å; E1323-C1355 VanDerWaalsContact CB-CB 3.46Å
1324	C	84.5	Confident	78.1	Confident	14 Å²	14	57.6 Å²	57.6	10%	0.095	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-75.3	134.7	171.6	-49	0	0	0	0	110.2	H1321 G1327 C1336 R1338	H1321-C1324 VanDerWaalsContact O-CB 3.28Å; H1321-C1324 WeakPolarHBondContact O-CB 3.25Å; H1321-C1324 PolarHBondContact O-N 2.57Å; H1321-C1324 PolarHBondContact O-SG 3.47Å; C1324-G1327 WeakPolarHBondContact CB-O 3.23Å; C1324-C1336 WeakPolarHBondContact CA-SG 3.29Å; C1324-C1336 HydrophobicContact CB-CB 3.65Å; C1324-C1336 WeakPolarHBondContact CB-SG 3.41Å; C1324-C1336 PolarHBondContact N-SG 2.64Å; C1324-C1336 VanDerWaalsContact N-SG 3.45Å; C1324-C1336 WeakPolarHBondContact SG-CA 3.33Å; C1324-C1336 WeakPolarHBondContact SG-CB 3.42Å; C1324-C1336 CovalentContact SG-SG 2.03Å; C1324-C1336 PolarHBondContact SG-SG 3.28Å; C1324-R1338 WeakPolarHBondContact CA-O 2.86Å
1325	E	79.1	Confident	79.6	Confident	94 Å²	94	58 Å²	58	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-91.3	-41.4	177.9	-166.4	-176.7	-157.2	0	0	112.3	R1338 R1340	E1325-R1338 HydrophobicContact CB-CG 4.47Å; E1325-R1338 PolarHBondContact N-O 2.72Å; E1325-R1338 IonicContact OE1-NH2 3.21Å; E1325-R1338 IonicContact OE2-CZ 2.69Å; E1325-R1338 IonicContact OE2-NE 3.73Å; E1325-R1338 PolarHBondContact OE2-NE 3.16Å; E1325-R1338 IonicContact OE2-NH2 2.67Å; E1325-R1338 PolarHBondContact OE2-NH2 3.09Å; E1325-R1340 HydrophobicContact CB-CB 4.17Å
1326	I	74.6	Confident	80.9	Confident	107 Å²	107	54.9 Å²	54.9	55%	0.549	30%	0.302	S	S	.	.	S	Bend	trans	-129.4	48.8	-170	-36.4	-175.4	0	0	0	111.1	T1337 R1338	I1326-T1337 WeakPolarHBondContact O-CB 3.22Å; I1326-T1337 PolarHBondContact O-OG1 2.8Å; I1326-R1338 HydrophobicContact CD1-CG 4.5Å; I1326-R1338 HydrophobicContact CG1-CB 4.37Å
1327	G	76.8	Confident	81.6	Confident	16 Å²	16	55.7 Å²	55.7	17%	0.165	31%	0.312	C	S	.	.			trans	82.3	-167.7	178.8	0	0	0	0	0	115	C1324 T1337	C1324-G1327 WeakPolarHBondContact CB-O 3.23Å; G1327-T1337 PolarHBondContact O-N 2.67Å; G1327-T1337 PolarHBondContact O-OG1 3.27Å
1328	C	84.9	Confident	81.9	Confident	18 Å²	18	59.5 Å²	59.5	12%	0.122	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-158.2	167.8	-171.3	67.3	0	0	0	0	112	C1320 G1330 E1335 T1337	C1320-C1328 WeakPolarHBondContact CA-SG 3.4Å; C1320-C1328 HydrophobicContact CB-CB 3.63Å; C1320-C1328 WeakPolarHBondContact CB-SG 3.3Å; C1320-C1328 WeakPolarHBondContact SG-CB 3.37Å; C1320-C1328 PolarHBondContact SG-N 2.94Å; C1320-C1328 CovalentContact SG-SG 2.03Å; C1320-C1328 PolarHBondContact SG-SG 3.35Å; C1328-G1330 VanDerWaalsContact CB-O 3.31Å; C1328-G1330 WeakPolarHBondContact CB-O 3.27Å; C1328-G1330 PolarHBondContact SG-O 2.98Å; C1328-E1335 CarbonylContact C-O 3.52Å; C1328-E1335 WeakPolarHBondContact CA-O 3.16Å; C1328-E1335 VanDerWaalsContact CB-O 3.24Å; C1328-E1335 WeakPolarHBondContact CB-O 3.36Å; C1328-T1337 PolarHBondContact N-OG1 3.43Å
1329	S	82	Confident	82.4	Confident	93 Å²	93	57.3 Å²	57.3	65%	0.65	32%	0.315	S	S	*	.	S	Bend	trans	-94.9	-12.8	163	56.4	0	0	0	0	113.9	E1335	S1329-E1335 PolarHBondContact N-O 3.12Å; S1329-E1335 PolarHBondContact OG-O 3.47Å
1330	G	79.9	Confident	82.3	Confident	2 Å²	2	61 Å²	61	2%	0.021	32%	0.317	C	S	.	.	S	Bend	trans	-169.7	-179	-175.3	0	0	0	0	0	113.1	C1328 T1332 E1335	C1328-G1330 VanDerWaalsContact CB-O 3.31Å; C1328-G1330 WeakPolarHBondContact CB-O 3.27Å; C1328-G1330 PolarHBondContact SG-O 2.98Å; G1330-T1332 PolarHBondContact O-N 2.67Å; G1330-E1335 VanDerWaalsContact C-OE2 3.27Å
1331	P	77.3	Confident	82.3	Confident	70 Å²	70	63.8 Å²	63.8	46%	0.455	33%	0.327	S	S	.	.	S	Bend	trans	-81.1	-2.8	-165.1	33.1	-36.8	0	0	0	115.9	Y1286 E1335	Y1286-P1331 HydrophobicContact CE1-CB 4.34Å; P1331-E1335 VanDerWaalsContact CD-OE2 3.26Å; P1331-E1335 WeakPolarHBondContact CD-OE2 3.46Å; P1331-E1335 VanDerWaalsContact N-OE2 3.17Å
1332	T	82.5	Confident	82.5	Confident	64 Å²	64	61 Å²	61	39%	0.393	32%	0.315	S	S	.	.	S	Bend	trans	-99	166.3	-174.3	68.7	0	0	0	0	114.4	H1321 G1330 E1334 E1335	H1321-T1332 VanDerWaalsContact CB-C 3.49Å; H1321-T1332 WeakPolarHBondContact CB-O 3.2Å; G1330-T1332 PolarHBondContact O-N 2.67Å; T1332-E1334 PolarHBondContact O-N 2.8Å; T1332-E1335 VanDerWaalsContact CB-OE2 3.3Å; T1332-E1335 WeakPolarHBondContact CB-OE2 3.19Å; T1332-E1335 WeakPolarHBondContact CG2-OE2 3.49Å; T1332-E1335 PolarHBondContact N-OE2 3.39Å; T1332-E1335 PolarHBondContact O-N 3.2Å; T1332-E1335 VanDerWaalsContact OG1-CD 3.27Å; T1332-E1335 VanDerWaalsContact OG1-CG 3.29Å; T1332-E1335 WeakPolarHBondContact OG1-CG 3.13Å; T1332-E1335 PolarHBondContact OG1-N 3.26Å; T1332-E1335 PolarHBondContact OG1-OE2 2.89Å
1333	A	83.1	Confident	82.7	Confident	17 Å²	17	54.4 Å²	54.4	14%	0.14	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-12	177.7	0	0	0	0	0	114.7	H1321 L1354 C1355	H1321-A1333 WeakPolarHBondContact ND1-CA 3.07Å; H1321-A1333 WeakPolarHBondContact ND1-CB 3.21Å; A1333-L1354 HydrophobicContact CB-CB 4.26Å; A1333-L1354 HydrophobicContact CB-CD1 4.49Å; A1333-C1355 PolarHBondContact O-N 2.61Å
1334	E	82.8	Confident	82.8	Confident	118 Å²	118	54.1 Å²	54.1	55%	0.551	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-21	-179.6	-57.6	172.8	-151.8	0	0	111.4	T1332 W1353 L1354	T1332-E1334 PolarHBondContact O-N 2.8Å; E1334-W1353 WeakPolarHBondContact CA-O 3.33Å; E1334-W1353 WeakPolarHBondContact CB-O 3.43Å; E1334-W1353 WeakPolarHBondContact CG-O 3.47Å; E1334-L1354 HydrophobicContact CG-CB 4.1Å
1335	E	85.5	Confident	82.7	Confident	67 Å²	67	55.6 Å²	55.6	31%	0.313	29%	0.289	S	S	.	.	S	Bend	trans	-92.8	8.3	178.4	-68.3	166.2	121.4	0	0	113.2	C1328 S1329 G1330 P1331 T1332	C1328-E1335 CarbonylContact C-O 3.52Å; C1328-E1335 WeakPolarHBondContact CA-O 3.16Å; C1328-E1335 VanDerWaalsContact CB-O 3.24Å; C1328-E1335 WeakPolarHBondContact CB-O 3.36Å; S1329-E1335 PolarHBondContact N-O 3.12Å; S1329-E1335 PolarHBondContact OG-O 3.47Å; G1330-E1335 VanDerWaalsContact C-OE2 3.27Å; P1331-E1335 VanDerWaalsContact CD-OE2 3.26Å; P1331-E1335 WeakPolarHBondContact CD-OE2 3.46Å; P1331-E1335 VanDerWaalsContact N-OE2 3.17Å; T1332-E1335 VanDerWaalsContact CB-OE2 3.3Å; T1332-E1335 WeakPolarHBondContact CB-OE2 3.19Å; T1332-E1335 WeakPolarHBondContact CG2-OE2 3.49Å; T1332-E1335 PolarHBondContact N-OE2 3.39Å; T1332-E1335 PolarHBondContact O-N 3.2Å; T1332-E1335 VanDerWaalsContact OG1-CD 3.27Å; T1332-E1335 VanDerWaalsContact OG1-CG 3.29Å; T1332-E1335 WeakPolarHBondContact OG1-CG 3.13Å; T1332-E1335 PolarHBondContact OG1-N 3.26Å; T1332-E1335 PolarHBondContact OG1-OE2 2.89Å
1336	C	85.8	Confident	82.5	Confident	7 Å²	7	56.4 Å²	56.4	5%	0.047	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-61.9	152.1	171.8	-65.7	0	0	0	0	111.2	C1324 W1353 C1355	C1324-C1336 WeakPolarHBondContact CA-SG 3.29Å; C1324-C1336 HydrophobicContact CB-CB 3.65Å; C1324-C1336 WeakPolarHBondContact CB-SG 3.41Å; C1324-C1336 PolarHBondContact N-SG 2.64Å; C1324-C1336 VanDerWaalsContact N-SG 3.45Å; C1324-C1336 WeakPolarHBondContact SG-CA 3.33Å; C1324-C1336 WeakPolarHBondContact SG-CB 3.42Å; C1324-C1336 CovalentContact SG-SG 2.03Å; C1324-C1336 PolarHBondContact SG-SG 3.28Å; C1336-W1353 HydrophobicContact CB-CH2 3.91Å; C1336-W1353 HydrophobicContact CB-CZ3 3.96Å; C1336-W1353 WeakPolarHBondContact O-CH2 3.42Å; C1336-W1353 WeakPolarHBondContact O-CZ2 3.45Å; C1336-C1355 VanDerWaalsContact SG-SG 3.63Å
1337	T	82.5	Confident	82.3	Confident	90 Å²	90	53.7 Å²	53.7	55%	0.552	28%	0.279	S	S	*	.	S	Bend	trans	-79.5	-32.2	170.5	-41.5	0	0	0	0	111.5	I1326 G1327 C1328	I1326-T1337 WeakPolarHBondContact O-CB 3.22Å; I1326-T1337 PolarHBondContact O-OG1 2.8Å; G1327-T1337 PolarHBondContact O-N 2.67Å; G1327-T1337 PolarHBondContact O-OG1 3.27Å; C1328-T1337 PolarHBondContact N-OG1 3.43Å
1338	R	82.9	Confident	81.7	Confident	84 Å²	84	59 Å²	59	32%	0.317	31%	0.314	S	S	.	.	S	Bend	trans	-161.9	148.4	-178	170.2	162	145.9	135.9	4.6	110.8	C1324 E1325 I1326 E1374	C1324-R1338 WeakPolarHBondContact CA-O 2.86Å; E1325-R1338 HydrophobicContact CB-CG 4.47Å; E1325-R1338 PolarHBondContact N-O 2.72Å; E1325-R1338 IonicContact OE1-NH2 3.21Å; E1325-R1338 IonicContact OE2-CZ 2.69Å; E1325-R1338 IonicContact OE2-NE 3.73Å; E1325-R1338 PolarHBondContact OE2-NE 3.16Å; E1325-R1338 IonicContact OE2-NH2 2.67Å; E1325-R1338 PolarHBondContact OE2-NH2 3.09Å; I1326-R1338 HydrophobicContact CD1-CG 4.5Å; I1326-R1338 HydrophobicContact CG1-CB 4.37Å; R1338-E1374 WeakPolarHBondContact CA-OE1 3.34Å; R1338-E1374 HydrophobicContact CG-CG 3.91Å
1339	C	86.1	Confident	81	Confident	10 Å²	10	64.4 Å²	64.4	7%	0.068	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-94	134.9	-173.7	-65.3	0	0	0	0	116	H1341 K1343 W1353 C1355 E1374	C1339-H1341 PolarHBondContact O-N 3.18Å; C1339-K1343 HydrophobicContact CB-CB 4.11Å; C1339-W1353 WeakPolarHBondContact SG-CZ3 3.43Å; C1339-C1355 WeakPolarHBondContact CA-SG 3.34Å; C1339-C1355 HydrophobicContact CB-CB 3.68Å; C1339-C1355 WeakPolarHBondContact CB-SG 3.43Å; C1339-C1355 WeakPolarHBondContact SG-CA 3.45Å; C1339-C1355 WeakPolarHBondContact SG-CB 3.4Å; C1339-C1355 CovalentContact SG-SG 2.04Å; C1339-C1355 PolarHBondContact SG-SG 3.03Å; C1339-E1374 PolarHBondContact N-OE1 2.79Å
1340	R	80.4	Confident	80.5	Confident	154 Å²	154	65 Å²	65	58%	0.581	33%	0.33	S	S	*	.	S	Bend	trans	-71.8	-21.8	-177.5	-168	175.4	-168.3	163.4	6.5	115.3	E1323 E1325	E1323-R1340 VanDerWaalsContact O-CB 3.28Å; E1323-R1340 WeakPolarHBondContact O-CB 3.22Å; E1323-R1340 PolarHBondContact O-N 2.79Å; E1325-R1340 HydrophobicContact CB-CB 4.17Å
1341	H	86.1	Confident	80.1	Confident	85 Å²	85	71.9 Å²	71.9	39%	0.394	36%	0.36	S	S	.	.	S	Bend	trans	-133.6	-68.8	-171.4	-65.2	125.1	0	0	0	112.5	E1323 C1339 N1356	E1323-H1341 IonicContact OE2-CE1 3.73Å; E1323-H1341 IonicContact OE2-CG 3.39Å; E1323-H1341 IonicContact OE2-ND1 3.03Å; E1323-H1341 PolarHBondContact OE2-ND1 3.31Å; C1339-H1341 PolarHBondContact O-N 3.18Å; H1341-N1356 WeakPolarHBondContact CB-O 3.3Å
1342	V	86.5	Confident	80.1	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.9	174.9	-160.6	0	0	0	0	109.5	N1356 K1366 I1375 C1377	V1342-N1356 PolarHBondContact N-O 3.39Å; V1342-N1356 PolarHBondContact O-N 3.3Å; V1342-N1356 VanDerWaalsContact O-O 3.05Å; V1342-K1366 HydrophobicContact CG2-CD 4.21Å; V1342-I1375 CarbonylContact C-O 3.53Å; V1342-I1375 WeakPolarHBondContact CA-O 3.45Å; V1342-I1375 HydrophobicContact CG1-CG2 4.11Å; V1342-I1375 WeakPolarHBondContact CG1-O 3.49Å; V1342-C1377 WeakPolarHBondContact CG1-SG 3.37Å
1343	K	88.2	Confident	80.1	Confident	12 Å²	12	69.7 Å²	69.7	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.9	175.1	-177.2	-175.8	-151.2	174.1	0	109.5	C1339 Y1345 W1353 E1374 I1375 I1376	C1339-K1343 HydrophobicContact CB-CB 4.11Å; K1343-Y1345 HydrophobicContact CD-CE1 4.26Å; K1343-W1353 HydrophobicContact CD-CD2 4.24Å; K1343-W1353 HydrophobicContact CD-CE3 4.48Å; K1343-W1353 HydrophobicContact CD-CG 4.37Å; K1343-W1353 VanDerWaalsContact CE-CG 3.47Å; K1343-W1353 HydrophobicContact CG-CB 4.05Å; K1343-W1353 HydrophobicContact CG-CD2 4.03Å; K1343-W1353 HydrophobicContact CG-CE3 3.98Å; K1343-W1353 HydrophobicContact CG-CG 4.12Å; K1343-E1374 WeakPolarHBondContact CD-OE2 3.18Å; K1343-E1374 IonicContact NZ-OE1 2.64Å; K1343-E1374 IonicContact NZ-OE2 2.77Å; K1343-E1374 PolarHBondContact NZ-OE2 3.26Å; K1343-I1375 PolarHBondContact N-O 2.84Å; K1343-I1376 HydrophobicContact CB-CG2 3.93Å; K1343-I1376 HydrophobicContact CD-CG2 4.28Å; K1343-I1376 HydrophobicContact CG-CG2 4.37Å; K1343-I1376 VanDerWaalsContact O-CA 3.32Å; K1343-I1376 WeakPolarHBondContact O-CA 3Å
1344	I	86.4	Confident	80.3	Confident	14 Å²	14	70.9 Å²	70.9	7%	0.072	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.2	179.8	-59.1	171.4	0	0	0	107.7	W1353 L1354 N1356 P1360	I1344-W1353 CarbonylContact O-C 3.57Å; I1344-W1353 WeakPolarHBondContact O-CA 3.18Å; I1344-W1353 WeakPolarHBondContact O-CB 3.08Å; I1344-L1354 HydrophobicContact CB-CD2 3.84Å; I1344-L1354 HydrophobicContact CD1-CD2 4.28Å; I1344-L1354 HydrophobicContact CG2-CD2 4.24Å; I1344-L1354 PolarHBondContact N-O 2.96Å; I1344-L1354 PolarHBondContact O-N 3.47Å; I1344-N1356 HydrophobicContact CD1-CB 3.61Å; I1344-N1356 HydrophobicContact CG1-CB 4.39Å; I1344-P1360 HydrophobicContact CD1-CG 4.4Å
1345	Y	83.7	Confident	80.5	Confident	46 Å²	46	65.4 Å²	65.4	18%	0.18	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.4	172.1	-67.5	-68.7	0	0	0	110.4	K1343 M1350 S1352 W1353 D1369 I1376	K1343-Y1345 HydrophobicContact CD-CE1 4.26Å; Y1345-M1350 VanDerWaalsContact CD1-CA 3.44Å; Y1345-M1350 HydrophobicContact CD1-CB 3.68Å; Y1345-M1350 HydrophobicContact CD1-CG 4.13Å; Y1345-M1350 HydrophobicContact CD2-CB 3.99Å; Y1345-M1350 HydrophobicContact CD2-CE 3.97Å; Y1345-M1350 HydrophobicContact CD2-CG 3.57Å; Y1345-M1350 HydrophobicContact CD2-SD 3.98Å; Y1345-M1350 HydrophobicContact CE1-CB 3.72Å; Y1345-M1350 HydrophobicContact CE1-CG 4.39Å; Y1345-M1350 WeakPolarHBondContact CE1-O 3.06Å; Y1345-M1350 HydrophobicContact CE2-CB 3.98Å; Y1345-M1350 HydrophobicContact CE2-CE 4.16Å; Y1345-M1350 HydrophobicContact CE2-CG 3.82Å; Y1345-M1350 HydrophobicContact CE2-SD 3.78Å; Y1345-M1350 HydrophobicContact CG-CB 3.85Å; Y1345-M1350 HydrophobicContact CG-CG 3.75Å; Y1345-S1352 CarbonylContact C-O 3.59Å; Y1345-S1352 WeakPolarHBondContact CA-O 3.2Å; Y1345-W1353 HydrophobicContact CD1-CB 3.68Å; Y1345-W1353 HydrophobicContact CD1-CG 4.23Å; Y1345-W1353 HydrophobicContact CE1-CB 4.08Å; Y1345-W1353 AromaticContact CE1-CD1 3.87Å; Y1345-W1353 HydrophobicContact CE1-CG 4.16Å; Y1345-W1353 HydrophobicContact CG-CB 4.43Å; Y1345-D1369 PolarHBondContact OH-OD2 3.1Å; Y1345-I1376 HydrophobicContact CD2-CG2 4.3Å; Y1345-I1376 HydrophobicContact CE2-CB 4.44Å; Y1345-I1376 HydrophobicContact CE2-CD1 4.26Å; Y1345-I1376 HydrophobicContact CE2-CG2 3.7Å
1346	H	73.9	Confident	80.5	Confident	111 Å²	111	64.8 Å²	64.8	51%	0.514	32%	0.32	S	S	.	.	S	Bend	trans	-83.4	-21.3	177.9	-78.8	-63.9	0	0	0	113.1	S1352 L1354	H1346-S1352 PolarHBondContact N-O 2.77Å; H1346-L1354 VanDerWaalsContact NE2-CD2 3.26Å; H1346-L1354 WeakPolarHBondContact NE2-CD2 3.33Å
1347	D	71.4	Confident	80.3	Confident	49 Å²	49	68.2 Å²	68.2	26%	0.262	34%	0.338	S	S	.	.	S	Bend	trans	-123.5	153.2	178.6	71.5	77.4	0	0	0	112.7	Q1349 M1350 K1351 S1352	D1347-Q1349 PolarHBondContact O-N 3.23Å; D1347-Q1349 VanDerWaalsContact O-N 3.16Å; D1347-Q1349 WeakPolarHBondContact OD1-CA 3.38Å; D1347-Q1349 VanDerWaalsContact OD1-CB 3.26Å; D1347-Q1349 WeakPolarHBondContact OD1-CB 3.48Å; D1347-Q1349 PolarHBondContact OD1-N 2.89Å; D1347-M1350 PolarHBondContact O-N 3.32Å; D1347-M1350 VanDerWaalsContact O-N 3.14Å; D1347-M1350 PolarHBondContact OD1-N 2.81Å; D1347-K1351 PolarHBondContact OD1-N 3.47Å; D1347-K1351 PolarHBondContact OD2-N 2.77Å; D1347-S1352 WeakPolarHBondContact OD2-CB 3.48Å; D1347-S1352 PolarHBondContact OD2-N 3.49Å; D1347-S1352 PolarHBondContact OD2-OG 3.33Å
1348	S	64.7	Low	80.3	Confident	129 Å²	129	67.3 Å²	67.3	90%	0.902	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	5.3	179.4	53.6	0	0	0	0	114.6
1349	Q	70.1	Confident	80.5	Confident	131 Å²	131	64.2 Å²	64.2	61%	0.612	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	1.8	170.5	-51.7	-174.8	5.6	0	0	112.3	D1347 K1351	D1347-Q1349 PolarHBondContact O-N 3.23Å; D1347-Q1349 VanDerWaalsContact O-N 3.16Å; D1347-Q1349 WeakPolarHBondContact OD1-CA 3.38Å; D1347-Q1349 VanDerWaalsContact OD1-CB 3.26Å; D1347-Q1349 WeakPolarHBondContact OD1-CB 3.48Å; D1347-Q1349 PolarHBondContact OD1-N 2.89Å; Q1349-K1351 HydrophobicContact CB-CD 4.21Å; Q1349-K1351 HydrophobicContact CB-CG 4.35Å; Q1349-K1351 PolarHBondContact O-N 2.67Å
1350	M	71.2	Confident	80.2	Confident	104 Å²	104	65.3 Å²	65.3	51%	0.512	33%	0.331	S	S	.	.	S	Bend	trans	57.3	39.4	179.8	-62.2	-177.4	163.7	0	0	114.2	Y1345 D1347 I1376	Y1345-M1350 VanDerWaalsContact CD1-CA 3.44Å; Y1345-M1350 HydrophobicContact CD1-CB 3.68Å; Y1345-M1350 HydrophobicContact CD1-CG 4.13Å; Y1345-M1350 HydrophobicContact CD2-CB 3.99Å; Y1345-M1350 HydrophobicContact CD2-CE 3.97Å; Y1345-M1350 HydrophobicContact CD2-CG 3.57Å; Y1345-M1350 HydrophobicContact CD2-SD 3.98Å; Y1345-M1350 HydrophobicContact CE1-CB 3.72Å; Y1345-M1350 HydrophobicContact CE1-CG 4.39Å; Y1345-M1350 WeakPolarHBondContact CE1-O 3.06Å; Y1345-M1350 HydrophobicContact CE2-CB 3.98Å; Y1345-M1350 HydrophobicContact CE2-CE 4.16Å; Y1345-M1350 HydrophobicContact CE2-CG 3.82Å; Y1345-M1350 HydrophobicContact CE2-SD 3.78Å; Y1345-M1350 HydrophobicContact CG-CB 3.85Å; Y1345-M1350 HydrophobicContact CG-CG 3.75Å; D1347-M1350 PolarHBondContact O-N 3.32Å; D1347-M1350 VanDerWaalsContact O-N 3.14Å; D1347-M1350 PolarHBondContact OD1-N 2.81Å; M1350-I1376 HydrophobicContact CE-CD1 4.17Å
1351	K	70.9	Confident	80.2	Confident	147 Å²	147	64.4 Å²	64.4	64%	0.639	34%	0.338	S	S	*	.			trans	-98.8	-47.4	-179.4	-71.2	172.2	178.7	167.7	0	113.6	D1347 Q1349	D1347-K1351 PolarHBondContact OD1-N 3.47Å; D1347-K1351 PolarHBondContact OD2-N 2.77Å; Q1349-K1351 HydrophobicContact CB-CD 4.21Å; Q1349-K1351 HydrophobicContact CB-CG 4.35Å; Q1349-K1351 PolarHBondContact O-N 2.67Å
1352	S	76.7	Confident	79.6	Confident	50 Å²	50	67.8 Å²	67.8	35%	0.35	35%	0.351	S	S	.	.	S	Bend	trans	-100.4	139.9	176.8	60.4	0	0	0	0	110.3	Y1345 H1346 D1347	Y1345-S1352 CarbonylContact C-O 3.59Å; Y1345-S1352 WeakPolarHBondContact CA-O 3.2Å; H1346-S1352 PolarHBondContact N-O 2.77Å; D1347-S1352 WeakPolarHBondContact OD2-CB 3.48Å; D1347-S1352 PolarHBondContact OD2-N 3.49Å; D1347-S1352 PolarHBondContact OD2-OG 3.33Å
1353	W	83.1	Confident	79.4	Confident	39 Å²	39	68.3 Å²	68.3	15%	0.148	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	156.1	-173.3	53.1	-93.5	0	0	0	111.8	E1334 C1336 C1339 K1343 I1344 Y1345 C1355	E1334-W1353 WeakPolarHBondContact CA-O 3.33Å; E1334-W1353 WeakPolarHBondContact CB-O 3.43Å; E1334-W1353 WeakPolarHBondContact CG-O 3.47Å; C1336-W1353 HydrophobicContact CB-CH2 3.91Å; C1336-W1353 HydrophobicContact CB-CZ3 3.96Å; C1336-W1353 WeakPolarHBondContact O-CH2 3.42Å; C1336-W1353 WeakPolarHBondContact O-CZ2 3.45Å; C1339-W1353 WeakPolarHBondContact SG-CZ3 3.43Å; K1343-W1353 HydrophobicContact CD-CD2 4.24Å; K1343-W1353 HydrophobicContact CD-CE3 4.48Å; K1343-W1353 HydrophobicContact CD-CG 4.37Å; K1343-W1353 VanDerWaalsContact CE-CG 3.47Å; K1343-W1353 HydrophobicContact CG-CB 4.05Å; K1343-W1353 HydrophobicContact CG-CD2 4.03Å; K1343-W1353 HydrophobicContact CG-CE3 3.98Å; K1343-W1353 HydrophobicContact CG-CG 4.12Å; I1344-W1353 CarbonylContact O-C 3.57Å; I1344-W1353 WeakPolarHBondContact O-CA 3.18Å; I1344-W1353 WeakPolarHBondContact O-CB 3.08Å; Y1345-W1353 HydrophobicContact CD1-CB 3.68Å; Y1345-W1353 HydrophobicContact CD1-CG 4.23Å; Y1345-W1353 HydrophobicContact CE1-CB 4.08Å; Y1345-W1353 AromaticContact CE1-CD1 3.87Å; Y1345-W1353 HydrophobicContact CE1-CG 4.16Å; Y1345-W1353 HydrophobicContact CG-CB 4.43Å; W1353-C1355 WeakPolarHBondContact CZ3-SG 3.32Å
1354	L	87.3	Confident	78.7	Confident	41 Å²	41	70.9 Å²	70.9	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.7	164.3	88.8	150.3	0	0	0	112	A1333 E1334 I1344 H1346 N1356	A1333-L1354 HydrophobicContact CB-CB 4.26Å; A1333-L1354 HydrophobicContact CB-CD1 4.49Å; E1334-L1354 HydrophobicContact CG-CB 4.1Å; I1344-L1354 HydrophobicContact CB-CD2 3.84Å; I1344-L1354 HydrophobicContact CD1-CD2 4.28Å; I1344-L1354 HydrophobicContact CG2-CD2 4.24Å; I1344-L1354 PolarHBondContact N-O 2.96Å; I1344-L1354 PolarHBondContact O-N 3.47Å; H1346-L1354 VanDerWaalsContact NE2-CD2 3.26Å; H1346-L1354 WeakPolarHBondContact NE2-CD2 3.33Å; L1354-N1356 HydrophobicContact CD1-CB 4.38Å; L1354-N1356 HydrophobicContact CG-CB 4.47Å
1355	C	87.2	Confident	78	Confident	3 Å²	3	74.3 Å²	74.3	2%	0.02	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.1	162	-56.5	0	0	0	0	111.8	E1323 A1333 C1336 C1339 W1353	E1323-C1355 HydrophobicContact CB-CB 3.46Å; E1323-C1355 VanDerWaalsContact CB-CB 3.46Å; A1333-C1355 PolarHBondContact O-N 2.61Å; C1336-C1355 VanDerWaalsContact SG-SG 3.63Å; C1339-C1355 WeakPolarHBondContact CA-SG 3.34Å; C1339-C1355 HydrophobicContact CB-CB 3.68Å; C1339-C1355 WeakPolarHBondContact CB-SG 3.43Å; C1339-C1355 WeakPolarHBondContact SG-CA 3.45Å; C1339-C1355 WeakPolarHBondContact SG-CB 3.4Å; C1339-C1355 CovalentContact SG-SG 2.04Å; C1339-C1355 PolarHBondContact SG-SG 3.03Å; W1353-C1355 WeakPolarHBondContact CZ3-SG 3.32Å
1356	N	85	Confident	77.9	Confident	54 Å²	54	77.6 Å²	77.6	29%	0.289	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.1	177	-164.8	6.8	0	0	0	111.8	H1341 V1342 I1344 L1354	H1341-N1356 WeakPolarHBondContact CB-O 3.3Å; V1342-N1356 PolarHBondContact N-O 3.39Å; V1342-N1356 PolarHBondContact O-N 3.3Å; V1342-N1356 VanDerWaalsContact O-O 3.05Å; I1344-N1356 HydrophobicContact CD1-CB 3.61Å; I1344-N1356 HydrophobicContact CG1-CB 4.39Å; L1354-N1356 HydrophobicContact CD1-CB 4.38Å; L1354-N1356 HydrophobicContact CG-CB 4.47Å
1357	N	81.9	Confident	78	Confident	79 Å²	79	75.8 Å²	75.8	42%	0.422	40%	0.396	S	S	.	.	S	Bend	trans	-74.5	-25.1	-174.7	62.9	29.9	0	0	0	114.5
1358	T	83.6	Confident	78.1	Confident	71 Å²	71	80.2 Å²	80.2	44%	0.436	41%	0.413	S	S	.	.	S	Bend	trans	-143	154	-173.5	46.9	0	0	0	0	111.4
1359	C	85.9	Confident	78.5	Confident	20 Å²	20	74.8 Å²	74.8	14%	0.135	37%	0.374	C	S	.	.			trans	-77.8	142.9	173	-74.7	0	0	0	0	111.5	S1363 C1377	C1359-S1363 WeakPolarHBondContact CB-O 3.41Å; C1359-C1377 WeakPolarHBondContact CA-SG 3.48Å; C1359-C1377 HydrophobicContact CB-CB 3.91Å; C1359-C1377 WeakPolarHBondContact CB-SG 3.42Å; C1359-C1377 VanDerWaalsContact SG-CA 3.52Å; C1359-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1359-C1377 CovalentContact SG-SG 2.04Å; C1359-C1377 PolarHBondContact SG-SG 3.41Å
1360	P	81	Confident	78	Confident	33 Å²	33	76.6 Å²	76.6	21%	0.214	38%	0.382	C	S	.	.			trans	-76.7	153.6	172.3	33.4	-33.9	0	0	0	110.6	I1344 F1362 S1363	I1344-P1360 HydrophobicContact CD1-CG 4.4Å; P1360-F1362 HydrophobicContact CB-CD1 3.89Å; P1360-F1362 HydrophobicContact CB-CE1 3.52Å; P1360-F1362 HydrophobicContact CB-CZ 3.89Å; P1360-F1362 HydrophobicContact CG-CD1 4.1Å; P1360-F1362 HydrophobicContact CG-CD2 4.28Å; P1360-F1362 HydrophobicContact CG-CE1 3.54Å; P1360-F1362 HydrophobicContact CG-CE2 3.73Å; P1360-F1362 HydrophobicContact CG-CG 4.45Å; P1360-F1362 HydrophobicContact CG-CZ 3.33Å; P1360-F1362 PolarHBondContact O-N 2.99Å; P1360-S1363 WeakPolarHBondContact CG-OG 3.29Å; P1360-S1363 CarbonylContact O-C 3.59Å; P1360-S1363 VanDerWaalsContact O-C 3.27Å; P1360-S1363 PolarHBondContact O-N 2.69Å
1361	D	78.6	Confident	77.7	Confident	135 Å²	135	81.1 Å²	81.1	72%	0.722	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	-167.9	-54.6	-52.6	0	0	0	114.6	S1363	D1361-S1363 VanDerWaalsContact C-N 3.33Å
1362	F	75.4	Confident	77.5	Confident	156 Å²	156	76.9 Å²	76.9	68%	0.684	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.3	172.5	61.7	-105	0	0	0	113.8	P1360	P1360-F1362 HydrophobicContact CB-CD1 3.89Å; P1360-F1362 HydrophobicContact CB-CE1 3.52Å; P1360-F1362 HydrophobicContact CB-CZ 3.89Å; P1360-F1362 HydrophobicContact CG-CD1 4.1Å; P1360-F1362 HydrophobicContact CG-CD2 4.28Å; P1360-F1362 HydrophobicContact CG-CE1 3.54Å; P1360-F1362 HydrophobicContact CG-CE2 3.73Å; P1360-F1362 HydrophobicContact CG-CG 4.45Å; P1360-F1362 HydrophobicContact CG-CZ 3.33Å; P1360-F1362 PolarHBondContact O-N 2.99Å
1363	S	80.5	Confident	77.2	Confident	10 Å²	10	76.4 Å²	76.4	7%	0.07	39%	0.389	C	S	.	.	S	Bend	trans	-141.1	61.6	176.8	58.6	0	0	0	0	109.7	C1359 P1360 D1361 F1365 C1377 S1378	C1359-S1363 WeakPolarHBondContact CB-O 3.41Å; P1360-S1363 WeakPolarHBondContact CG-OG 3.29Å; P1360-S1363 CarbonylContact O-C 3.59Å; P1360-S1363 VanDerWaalsContact O-C 3.27Å; P1360-S1363 PolarHBondContact O-N 2.69Å; D1361-S1363 VanDerWaalsContact C-N 3.33Å; S1363-F1365 VanDerWaalsContact C-N 3.26Å; S1363-F1365 PolarHBondContact O-N 2.93Å; S1363-C1377 WeakPolarHBondContact O-CB 3.44Å; S1363-C1377 VanDerWaalsContact OG-CB 3.32Å; S1363-C1377 WeakPolarHBondContact OG-CB 3.03Å; S1363-S1378 CarbonylContact C-O 3.55Å; S1363-S1378 WeakPolarHBondContact CA-O 3.41Å
1364	P	73.8	Confident	76.8	Confident	66 Å²	66	75 Å²	75	43%	0.429	38%	0.384	S	S	.	.			trans	-74.8	-14.9	-164.4	32.1	-36.8	0	0	0	113.5	K1366	P1364-K1366 PolarHBondContact O-N 3.22Å
1365	F	72.4	Confident	76.5	Confident	86 Å²	86	75.6 Å²	75.6	38%	0.377	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112.7	-176.3	-54.1	-68.1	0	0	0	110.3	S1363 I1367 S1378 S1379	S1363-F1365 VanDerWaalsContact C-N 3.26Å; S1363-F1365 PolarHBondContact O-N 2.93Å; F1365-I1367 PolarHBondContact O-N 2.74Å; F1365-S1378 PolarHBondContact N-O 3.17Å; F1365-S1378 PolarHBondContact O-N 3.08Å; F1365-S1379 WeakPolarHBondContact CE2-O 3.06Å
1366	K	80.8	Confident	76.6	Confident	115 Å²	115	75.9 Å²	75.9	50%	0.5	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	119.8	166.1	-71.2	-172	178.3	-156.2	0	108.8	V1342 P1364 I1375 I1376	V1342-K1366 HydrophobicContact CG2-CD 4.21Å; P1364-K1366 PolarHBondContact O-N 3.22Å; K1366-I1375 HydrophobicContact CB-CG2 3.78Å; K1366-I1375 HydrophobicContact CD-CG2 4.16Å; K1366-I1375 HydrophobicContact CG-CG2 4.09Å; K1366-I1376 WeakPolarHBondContact CA-O 3.27Å
1367	I	76	Confident	76.6	Confident	73 Å²	73	74.4 Å²	74.4	37%	0.374	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	160.9	172.7	68.9	169.6	0	0	0	109.4	F1365 I1375 I1376	F1365-I1367 PolarHBondContact O-N 2.74Å; I1367-I1375 CarbonylContact O-C 3.58Å; I1367-I1375 WeakPolarHBondContact O-CA 3.45Å; I1367-I1376 HydrophobicContact CD1-CD1 4.23Å; I1367-I1376 HydrophobicContact CD1-CG1 4.36Å; I1367-I1376 HydrophobicContact CG1-CD1 4.11Å; I1367-I1376 HydrophobicContact CG1-CG1 3.69Å; I1367-I1376 PolarHBondContact N-O 2.86Å; I1367-I1376 PolarHBondContact O-N 3.49Å; I1367-I1376 VanDerWaalsContact O-O 3.14Å
1368	F	74	Confident	76.6	Confident	142 Å²	142	71.5 Å²	71.5	62%	0.623	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.4	173.8	-80	-88.2	0	0	0	111.2	Q1370 I1375	F1368-Q1370 PolarHBondContact O-N 3.24Å; F1368-I1375 HydrophobicContact CD1-CG1 4.03Å; F1368-I1375 HydrophobicContact CE1-CD1 4.28Å; F1368-I1375 HydrophobicContact CE1-CG1 3.56Å; F1368-I1375 HydrophobicContact CE2-CG1 4.35Å; F1368-I1375 HydrophobicContact CZ-CD1 4.04Å; F1368-I1375 HydrophobicContact CZ-CG1 3.74Å
1369	D	72.4	Confident	76	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.08	37%	0.37	C	S	.	.			trans	-69.3	109.8	168.2	-171.4	-39.5	0	0	0	108.8	Y1345 K1371 T1372 G1373 E1374 I1376	Y1345-D1369 PolarHBondContact OH-OD2 3.1Å; D1369-K1371 PolarHBondContact O-N 2.76Å; D1369-K1371 WeakPolarHBondContact OD1-CB 3.31Å; D1369-K1371 PolarHBondContact OD1-N 3.3Å; D1369-T1372 PolarHBondContact O-N 2.67Å; D1369-T1372 PolarHBondContact OD1-N 2.67Å; D1369-G1373 WeakPolarHBondContact O-CA 3.22Å; D1369-G1373 PolarHBondContact O-N 3.07Å; D1369-E1374 WeakPolarHBondContact CB-O 3.27Å; D1369-E1374 PolarHBondContact N-O 2.82Å; D1369-I1376 HydrophobicContact CB-CD1 4.04Å; D1369-I1376 HydrophobicContact CB-CG1 4.18Å; D1369-I1376 HydrophobicContact CB-CG2 3.88Å
1370	Q	59.9	Low	75	Confident	169 Å²	169	74.5 Å²	74.5	79%	0.79	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-9.3	-177.3	-68.3	-175.4	-17.6	0	0	113.9	F1368	F1368-Q1370 PolarHBondContact O-N 3.24Å
1371	K	65.3	Low	73.6	Confident	200 Å²	200	76.5 Å²	76.5	87%	0.87	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-34.3	175.8	-71	-179.4	177	174.4	0	114.1	D1369	D1369-K1371 PolarHBondContact O-N 2.76Å; D1369-K1371 WeakPolarHBondContact OD1-CB 3.31Å; D1369-K1371 PolarHBondContact OD1-N 3.3Å
1372	T	67.8	Low	71.9	Confident	57 Å²	57	76.7 Å²	76.7	35%	0.35	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-13.6	-175.6	71.5	0	0	0	0	114.2	D1369 E1374	D1369-T1372 PolarHBondContact O-N 2.67Å; D1369-T1372 PolarHBondContact OD1-N 2.67Å; T1372-E1374 WeakPolarHBondContact CB-OE2 3.45Å; T1372-E1374 PolarHBondContact O-N 3.46Å; T1372-E1374 WeakPolarHBondContact OG1-CB 3.48Å; T1372-E1374 WeakPolarHBondContact OG1-CG 3.35Å; T1372-E1374 PolarHBondContact OG1-N 2.82Å; T1372-E1374 PolarHBondContact OG1-OE2 2.94Å
1373	G	70.1	Confident	70	Confident	40 Å²	40	76.4 Å²	76.4	41%	0.412	41%	0.405	S	S	.	.			trans	69.6	9.3	-173.5	0	0	0	0	0	113.8	D1369	D1369-G1373 WeakPolarHBondContact O-CA 3.22Å; D1369-G1373 PolarHBondContact O-N 3.07Å
1374	E	74.5	Confident	67.8	Low	10 Å²	10	82.7 Å²	82.7	5%	0.047	44%	0.437	C	S	.	.			trans	-82.5	151	174.5	-65.3	169.3	101.5	0	0	110.7	R1338 C1339 K1343 D1369 T1372	R1338-E1374 WeakPolarHBondContact CA-OE1 3.34Å; R1338-E1374 HydrophobicContact CG-CG 3.91Å; C1339-E1374 PolarHBondContact N-OE1 2.79Å; K1343-E1374 WeakPolarHBondContact CD-OE2 3.18Å; K1343-E1374 IonicContact NZ-OE1 2.64Å; K1343-E1374 IonicContact NZ-OE2 2.77Å; K1343-E1374 PolarHBondContact NZ-OE2 3.26Å; D1369-E1374 WeakPolarHBondContact CB-O 3.27Å; D1369-E1374 PolarHBondContact N-O 2.82Å; T1372-E1374 WeakPolarHBondContact CB-OE2 3.45Å; T1372-E1374 PolarHBondContact O-N 3.46Å; T1372-E1374 WeakPolarHBondContact OG1-CB 3.48Å; T1372-E1374 WeakPolarHBondContact OG1-CG 3.35Å; T1372-E1374 PolarHBondContact OG1-N 2.82Å; T1372-E1374 PolarHBondContact OG1-OE2 2.94Å
1375	I	80.3	Confident	65.6	Low	53 Å²	53	87.2 Å²	87.2	27%	0.272	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.3	170.1	-54.5	176.3	0	0	0	108	V1342 K1343 K1366 I1367 F1368	V1342-I1375 CarbonylContact C-O 3.53Å; V1342-I1375 WeakPolarHBondContact CA-O 3.45Å; V1342-I1375 HydrophobicContact CG1-CG2 4.11Å; V1342-I1375 WeakPolarHBondContact CG1-O 3.49Å; K1343-I1375 PolarHBondContact N-O 2.84Å; K1366-I1375 HydrophobicContact CB-CG2 3.78Å; K1366-I1375 HydrophobicContact CD-CG2 4.16Å; K1366-I1375 HydrophobicContact CG-CG2 4.09Å; I1367-I1375 CarbonylContact O-C 3.58Å; I1367-I1375 WeakPolarHBondContact O-CA 3.45Å; F1368-I1375 HydrophobicContact CD1-CG1 4.03Å; F1368-I1375 HydrophobicContact CE1-CD1 4.28Å; F1368-I1375 HydrophobicContact CE1-CG1 3.56Å; F1368-I1375 HydrophobicContact CE2-CG1 4.35Å; F1368-I1375 HydrophobicContact CZ-CD1 4.04Å; F1368-I1375 HydrophobicContact CZ-CG1 3.74Å
1376	I	88.7	Confident	63.4	Low	9 Å²	9	89 Å²	89	5%	0.046	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	166.7	175.6	60.1	167.5	0	0	0	111	K1343 Y1345 M1350 K1366 I1367 D1369	K1343-I1376 HydrophobicContact CB-CG2 3.93Å; K1343-I1376 HydrophobicContact CD-CG2 4.28Å; K1343-I1376 HydrophobicContact CG-CG2 4.37Å; K1343-I1376 VanDerWaalsContact O-CA 3.32Å; K1343-I1376 WeakPolarHBondContact O-CA 3Å; Y1345-I1376 HydrophobicContact CD2-CG2 4.3Å; Y1345-I1376 HydrophobicContact CE2-CB 4.44Å; Y1345-I1376 HydrophobicContact CE2-CD1 4.26Å; Y1345-I1376 HydrophobicContact CE2-CG2 3.7Å; M1350-I1376 HydrophobicContact CE-CD1 4.17Å; K1366-I1376 WeakPolarHBondContact CA-O 3.27Å; I1367-I1376 HydrophobicContact CD1-CD1 4.23Å; I1367-I1376 HydrophobicContact CD1-CG1 4.36Å; I1367-I1376 HydrophobicContact CG1-CD1 4.11Å; I1367-I1376 HydrophobicContact CG1-CG1 3.69Å; I1367-I1376 PolarHBondContact N-O 2.86Å; I1367-I1376 PolarHBondContact O-N 3.49Å; I1367-I1376 VanDerWaalsContact O-O 3.14Å; D1369-I1376 HydrophobicContact CB-CD1 4.04Å; D1369-I1376 HydrophobicContact CB-CG1 4.18Å; D1369-I1376 HydrophobicContact CB-CG2 3.88Å
1377	C	86.5	Confident	60.8	Low	23 Å²	23	91 Å²	91	16%	0.155	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.7	176.8	-59.4	0	0	0	0	112.2	V1342 C1359 S1363	V1342-C1377 WeakPolarHBondContact CG1-SG 3.37Å; C1359-C1377 WeakPolarHBondContact CA-SG 3.48Å; C1359-C1377 HydrophobicContact CB-CB 3.91Å; C1359-C1377 WeakPolarHBondContact CB-SG 3.42Å; C1359-C1377 VanDerWaalsContact SG-CA 3.52Å; C1359-C1377 WeakPolarHBondContact SG-CB 3.49Å; C1359-C1377 CovalentContact SG-SG 2.04Å; C1359-C1377 PolarHBondContact SG-SG 3.41Å; S1363-C1377 WeakPolarHBondContact O-CB 3.44Å; S1363-C1377 VanDerWaalsContact OG-CB 3.32Å; S1363-C1377 WeakPolarHBondContact OG-CB 3.03Å
1378	S	80.4	Confident	58.5	Low	19 Å²	19	92.1 Å²	92.1	13%	0.133	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.2	178.4	-179.8	0	0	0	0	112.3	S1363 F1365 D1380	S1363-S1378 CarbonylContact C-O 3.55Å; S1363-S1378 WeakPolarHBondContact CA-O 3.41Å; F1365-S1378 PolarHBondContact N-O 3.17Å; F1365-S1378 PolarHBondContact O-N 3.08Å; S1378-D1380 PolarHBondContact OG-N 3.14Å; S1378-D1380 VanDerWaalsContact OG-N 3.08Å; S1378-D1380 PolarHBondContact OG-O 2.62Å
1379	S	71.3	Confident	56.2	Low	71 Å²	71	96 Å²	96	50%	0.497	50%	0.503	S	S	.	.	S	Bend	trans	-71.9	-29.8	168	47.1	0	0	0	0	113	F1365	F1365-S1379 WeakPolarHBondContact CE2-O 3.06Å
1380	D	65.4	Low	54.1	Low	83 Å²	83	105.8 Å²	105.8	44%	0.444	54%	0.54	S	S	.	.			trans	-114	127.3	-169.3	-66.4	-81.7	0	0	0	111.4	S1378 I1382	S1378-D1380 PolarHBondContact OG-N 3.14Å; S1378-D1380 VanDerWaalsContact OG-N 3.08Å; S1378-D1380 PolarHBondContact OG-O 2.62Å; D1380-I1382 VanDerWaalsContact C-N 3.31Å
1381	S	51.8	Low	52.6	Low	75 Å²	75	105.7 Å²	105.7	52%	0.524	55%	0.545	S	S	.	.	S	Bend	trans	-86.5	-0.5	172.1	54.2	0	0	0	0	113.6
1382	I	43.8	Very low	50.9	Low	138 Å²	138	99.5 Å²	99.5	71%	0.708	54%	0.539	S	S	*	.			trans	-101.5	-18.2	-165	-64.6	176.7	0	0	0	113	D1380 L1384	D1380-I1382 VanDerWaalsContact C-N 3.31Å; I1382-L1384 PolarHBondContact O-N 2.8Å
1383	N	34.8	Very low	48.8	Very low	150 Å²	150	105.7 Å²	105.7	80%	0.802	56%	0.564	S	S	*	*			trans	-79.4	61.9	175.3	-79.6	-31.7	0	0	0	112.4
1384	L	33.2	Very low	46.7	Very low	143 Å²	143	114.4 Å²	114.4	75%	0.749	59%	0.585	S	S	*	*			trans	-73.6	118.1	160.3	-101	160.7	0	0	0	108.8	I1382	I1382-L1384 PolarHBondContact O-N 2.8Å
1385	H	28.9	Very low	44.3	Very low	160 Å²	160	119.5 Å²	119.5	74%	0.741	62%	0.622	S	S	*	*			trans	-135.1	115.5	158.1	-129.5	-69	0	0	0	111.4
1386	I	25.7	Very low	41.6	Very low	125 Å²	125	124.1 Å²	124.1	64%	0.641	65%	0.646	S	S	*	*			trans	-81	135.6	-179.5	-61.5	161.5	0	0	0	108.7
1387	I	25.4	Very low	38.6	Very low	156 Å²	156	131.9 Å²	131.9	80%	0.8	68%	0.682	S	S	*	*			trans	-128.8	129.4	152.8	-64.4	-175.6	0	0	0	105.9
1388	P	28.3	Very low	35.8	Very low	97 Å²	97	137 Å²	137	63%	0.63	71%	0.708	S	S	*	*			trans	-98.8	148.3	-158	36.8	-35.3	0	0	0	114
1389	Y	26.3	Very low	33.2	Very low	224 Å²	224	143.5 Å²	143.5	88%	0.878	74%	0.736	S	S	*	*			trans	-156.2	144.9	139.9	-101.5	-70.6	0	0	0	110
1390	Y	27.8	Very low	31.1	Very low	220 Å²	220	146.9 Å²	146.9	86%	0.863	75%	0.748	S	S	*	*	S	Bend	trans	67.9	124.5	-175.2	-80.7	-90.7	0	0	0	118.1
1391	N	28.7	Very low	29.3	Very low	166 Å²	166	148.8 Å²	148.8	89%	0.888	76%	0.758	S	S	*	*			trans	-88.9	165.4	-179.1	-61.2	-33.6	0	0	0	110.7
1392	G	28.6	Very low	28.2	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	76%	0.764	S	S	*	*			cis	-149.9	159.2	6.2	0	0	0	0	0	113.6
1393	Q	24.9	Very low	27.3	Very low	187 Å²	187	148.6 Å²	148.6	87%	0.874	76%	0.764	S	S	*	*			trans	-99.4	171	180	-63	176.9	-91.9	0	0	111.6
1394	Y	24.5	Very low	27.1	Very low	222 Å²	222	148 Å²	148	87%	0.871	76%	0.76	S	S	*	*			trans	-47.4	144.2	157.6	-82.9	-98.9	0	0	0	112.3
1395	S	24.1	Very low	26.7	Very low	117 Å²	117	147.6 Å²	147.6	82%	0.818	76%	0.757	S	S	*	*			trans	-108.9	114.7	160.8	178.9	0	0	0	0	109.7
1396	I	25.1	Very low	26.7	Very low	151 Å²	151	147 Å²	147	77%	0.774	75%	0.754	S	S	*	*			trans	-122.6	113.4	156.8	-62.2	173.3	0	0	0	105.3
1397	E	24.3	Very low	26.8	Very low	171 Å²	171	148.3 Å²	148.3	80%	0.799	76%	0.763	S	S	*	*			trans	-173.5	152.2	137	-110.6	-180	177.5	0	0	113.4
1398	N	27.6	Very low	26.8	Very low	132 Å²	132	144.4 Å²	144.4	71%	0.706	75%	0.75	S	S	*	*			trans	124.7	124.8	168.1	-69.6	-34.6	0	0	0	111.9
1399	H	27	Very low	26.9	Very low	154 Å²	154	149.2 Å²	149.2	71%	0.713	76%	0.757	S	S	*	*			cis	-160.8	152.8	1.2	-128.5	-17.5	0	0	0	110.1
1400	L	26.6	Very low	27.1	Very low	142 Å²	142	145 Å²	145	74%	0.743	75%	0.749	S	S	*	*			trans	67.3	134.2	167	-49.7	156.9	0	0	0	115.1
1401	N	28.2	Very low	27.1	Very low	124 Å²	124	139.2 Å²	139.2	66%	0.663	73%	0.733	S	S	*	*			cis	-146.9	136.2	-9.1	-85.7	-33.1	0	0	0	105.1
1402	S	27.7	Very low	27.4	Very low	93 Å²	93	138.5 Å²	138.5	65%	0.65	73%	0.729	S	S	*	*				51.6	133.2	72.5	96.7	0	0	0	0	112.9
1403	T	26.7	Very low	27.5	Very low	115 Å²	115	141.9 Å²	141.9	71%	0.706	73%	0.729	S	S	*	*			cis	-165.7	-178.1	6.4	-13.5	0	0	0	0	110.1
1404	I	29.8	Very low	27.6	Very low	139 Å²	139	138.8 Å²	138.8	71%	0.713	72%	0.723	S	S	*	*			trans	74.4	103.8	152.3	-71	156.2	0	0	0	115.2
1405	L	25.6	Very low	27.8	Very low	134 Å²	134	134.3 Å²	134.3	70%	0.702	72%	0.719	S	S	*	*				70.3	155.7	82.6	-67.8	170.7	0	0	0	113.5
1406	H	28.2	Very low	28	Very low	147 Å²	147	137.5 Å²	137.5	68%	0.681	72%	0.723	S	S	*	*			cis	-145.2	141.2	4.5	-110.7	-63.9	0	0	0	106.4
1407	N	28.2	Very low	28.2	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	72%	0.719	S	S	*	*				48.9	104.2	74	-140.9	3.4	0	0	0	116.3
1408	S	25.4	Very low	28.4	Very low	75 Å²	75	132.8 Å²	132.8	52%	0.524	72%	0.721	S	S	.	*			trans	-171.2	142.8	168.1	-175.5	0	0	0	0	106.9
1409	Y	29.7	Very low	28.5	Very low	198 Å²	198	135.8 Å²	135.8	78%	0.776	73%	0.728	S	S	*	*	S	Bend	cis	-121.2	160.4	23.2	-78.2	-123.4	0	0	0	110.7
1410	N	30.7	Very low	28.8	Very low	134 Å²	134	135.2 Å²	135.2	72%	0.717	73%	0.73	S	S	*	*			cis	-131.1	136.5	0.7	-90.5	-57.2	0	0	0	108.2
1411	N	28.8	Very low	29	Very low	99 Å²	99	135.9 Å²	135.9	53%	0.529	73%	0.734	S	S	.	*				82	107.3	52.7	-68.6	-35.7	0	0	0	115
1412	N	33.4	Very low	28.9	Very low	151 Å²	151	137.4 Å²	137.4	81%	0.807	74%	0.742	S	S	*	*			trans	146.3	130.7	150	-78.4	-20.3	0	0	0	108.6
1413	I	30.7	Very low	28.8	Very low	142 Å²	142	142.8 Å²	142.8	73%	0.728	75%	0.754	S	S	*	*			cis	-152.6	123.4	-2.6	-91.9	155.3	0	0	0	103.5
1414	V	27.5	Very low	28.7	Very low	122 Å²	122	144.2 Å²	144.2	74%	0.739	76%	0.757	S	S	*	*				96.9	139.3	58.7	163.6	0	0	0	0	114.2
1415	T	28.3	Very low	28.5	Very low	129 Å²	129	144.9 Å²	144.9	79%	0.791	76%	0.757	S	S	*	*			trans	71.5	100.7	167.7	39.7	0	0	0	0	123.1
1416	M	28.6	Very low	28.6	Very low	184 Å²	184	144.6 Å²	144.6	91%	0.906	76%	0.756	S	S	*	*				-173.9	116	105.2	-96.4	-170	169.8	0	0	108.5
1417	A	30	Very low	28.7	Very low	84 Å²	84	145 Å²	145	69%	0.694	76%	0.761	S	S	*	*				79.8	128.2	66.9	0	0	0	0	0	114
1418	T	28.6	Very low	28.4	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	76%	0.76	S	S	*	*			cis	179.7	148.2	-21.7	11.2	0	0	0	0	108.1
1419	K	29.5	Very low	28.4	Very low	195 Å²	195	148.7 Å²	148.7	85%	0.848	77%	0.767	S	S	*	*			trans	-161.7	112.8	153.2	-121.9	176.5	-175.5	179.7	0	113.9
1420	N	33.8	Very low	28.2	Very low	142 Å²	142	146.8 Å²	146.8	76%	0.759	77%	0.767	S	S	*	*			trans	49.8	144.5	149.8	-60.9	4.3	0	0	0	121.9
1421	L	29.3	Very low	27.9	Very low	157 Å²	157	146.3 Å²	146.3	82%	0.822	77%	0.765	S	S	*	*			cis	-164.3	152.5	-27.9	-155	73.6	0	0	0	108.6
1422	N	26	Very low	27.8	Very low	156 Å²	156	150.8 Å²	150.8	83%	0.834	78%	0.775	S	S	*	*			trans	-93.2	154.7	179.8	-66.2	-40.8	0	0	0	113.5
1423	F	26	Very low	27.4	Very low	206 Å²	206	149.1 Å²	149.1	90%	0.904	77%	0.767	S	S	*	*			trans	-145.2	157.1	137.6	-148.6	-98.1	0	0	0	111.2
1424	L	23.7	Very low	27.3	Very low	145 Å²	145	149 Å²	149	76%	0.759	77%	0.767	S	S	*	*			trans	-148.4	171	-173.5	-127.9	176.7	0	0	0	109.8
1425	Q	27.1	Very low	27.4	Very low	152 Å²	152	149.4 Å²	149.4	71%	0.71	76%	0.764	S	S	*	*			trans	81.5	114.4	165.2	-73.5	-170.7	-10.5	0	0	120.8
1426	N	26.5	Very low	27.4	Very low	129 Å²	129	153.2 Å²	153.2	69%	0.69	76%	0.764	S	S	*	*				103.1	142.5	116.3	-72.2	-6.8	0	0	0	123
1427	I	30.2	Very low	27.3	Very low	154 Å²	154	150.7 Å²	150.7	79%	0.79	75%	0.75	S	S	*	*			trans	88.4	86.4	155.4	-65.2	149.2	0	0	0	119.7
1428	H	23.5	Very low	27.3	Very low	169 Å²	169	156.5 Å²	156.5	78%	0.782	76%	0.755	S	S	*	*				57.1	133.1	109.5	-108.8	-82	0	0	0	123.8
1429	M	25.6	Very low	27.2	Very low	136 Å²	136	158.2 Å²	158.2	67%	0.67	75%	0.753	S	S	*	*			trans	111	110.3	143.2	-64.7	-70.6	-87.3	0	0	121.5
1430	M	24	Very low	27.3	Very low	159 Å²	159	159.4 Å²	159.4	78%	0.783	75%	0.754	S	S	*	*			trans	76.9	99.9	139.2	-71.1	-172.1	165.5	0	0	123.2
1431	N	25.1	Very low	27	Very low	124 Å²	124	159.4 Å²	159.4	66%	0.663	75%	0.753	S	S	*	*				77.4	107.8	112.5	-167.2	39.5	0	0	0	120.5
1432	Y	26.7	Very low	27.1	Very low	192 Å²	192	156.6 Å²	156.6	75%	0.753	75%	0.747	S	S	*	*				-166.2	138.1	108.2	-122.4	-96.7	0	0	0	112.7
1433	N	25.1	Very low	27.2	Very low	117 Å²	117	155.7 Å²	155.7	63%	0.626	75%	0.747	S	S	*	*			trans	20.2	150.1	159.2	-64.6	-0.9	0	0	0	124.5
1434	N	28.9	Very low	27.3	Very low	138 Å²	138	154.1 Å²	154.1	74%	0.738	74%	0.743	S	S	*	*			trans	119.2	115.7	138	-80	-7.9	0	0	0	120.7
1435	I	29.7	Very low	27.5	Very low	132 Å²	132	153.2 Å²	153.2	68%	0.677	74%	0.743	S	S	*	*			trans	91	91.8	131.2	-63.1	169.2	0	0	0	119.7
1436	W	26.8	Very low	27.5	Very low	209 Å²	209	151 Å²	151	79%	0.792	75%	0.751	S	S	*	*				62.3	134.9	128.1	-69.2	93.4	0	0	0	124.8
1437	H	27	Very low	27.5	Very low	131 Å²	131	148.4 Å²	148.4	61%	0.606	75%	0.754	S	S	*	*			trans	100.6	119.9	138.4	-87.6	-53.6	0	0	0	123.3
1438	Y	29.8	Very low	27.4	Very low	206 Å²	206	148.4 Å²	148.4	81%	0.808	76%	0.755	S	S	*	*			trans	73.1	125.9	152.4	-80.8	-72.2	0	0	0	123.1
1439	H	26.1	Very low	27.7	Very low	173 Å²	173	147.8 Å²	147.8	80%	0.801	76%	0.756	S	S	*	*			trans	-89.1	144.2	164.3	-76.5	-110.7	0	0	0	110.8
1440	Y	31.7	Very low	28	Very low	220 Å²	220	145.1 Å²	145.1	86%	0.863	75%	0.751	S	S	*	*				-164.9	144.3	102.4	-127.2	-94.8	0	0	0	112.6
1441	L	29.2	Very low	28.6	Very low	142 Å²	142	140.4 Å²	140.4	74%	0.743	73%	0.733	S	S	*	*			trans	-113.8	130.9	171.1	-102	70.8	0	0	0	107.2
1442	S	30.5	Very low	29.1	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	74%	0.735	S	S	*	*				94.5	151.7	64.8	89.1	0	0	0	0	112.9
1443	T	27.6	Very low	29.7	Very low	136 Å²	136	134.9 Å²	134.9	83%	0.834	72%	0.721	S	S	*	*	S	Bend	trans	-70.4	164.1	172.2	39.5	0	0	0	0	112.3
1444	Q	28.4	Very low	30.5	Very low	174 Å²	174	132.3 Å²	132.3	81%	0.813	72%	0.716	S	S	*	*			trans	-62.8	152.2	175.5	-66.9	-171.3	12.9	0	0	112
1445	T	28.4	Very low	31.4	Very low	126 Å²	126	130.2 Å²	130.2	77%	0.773	70%	0.704	S	S	*	*			cis	-163.6	166.8	-0.1	12.4	0	0	0	0	111.8
1446	A	27	Very low	32.6	Very low	106 Å²	106	130.4 Å²	130.4	88%	0.876	70%	0.701	S	S	*	*			trans	117.7	122.5	144.8	0	0	0	0	0	116.6
1447	G	26.1	Very low	34.1	Very low	73 Å²	73	125.6 Å²	125.6	75%	0.753	69%	0.689	S	S	*	*			trans	157.1	73.9	177.9	0	0	0	0	0	114.4	I1449	G1447-I1449 PolarHBondContact O-N 2.84Å
1448	L	27.9	Very low	35.3	Very low	154 Å²	154	124.9 Å²	124.9	81%	0.806	69%	0.687	S	S	*	*	S	Bend	trans	-12.9	86.1	167.6	-71.1	154.4	0	0	0	117.5
1449	I	30.1	Very low	36.7	Very low	157 Å²	157	119.7 Å²	119.7	81%	0.805	67%	0.673	S	S	*	*	S	Bend	trans	-174.9	27	141.6	-94.2	153.8	0	0	0	113.8	G1447	G1447-I1449 PolarHBondContact O-N 2.84Å
1450	S	32.9	Very low	38.6	Very low	80 Å²	80	115.4 Å²	115.4	56%	0.559	66%	0.656	S	S	*	*	S	Bend	trans	-108.7	-1.6	155.4	62.4	0	0	0	0	113.2	L1452 S1453 A1454	S1450-L1452 PolarHBondContact O-N 3.33Å; S1450-S1453 PolarHBondContact O-N 3.01Å; S1450-S1453 VanDerWaalsContact O-N 3.13Å; S1450-S1453 PolarHBondContact O-OG 2.75Å; S1450-A1454 PolarHBondContact O-N 3.35Å
1451	S	35.9	Very low	39.8	Very low	59 Å²	59	109.4 Å²	109.4	41%	0.413	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	22.3	172.8	50.4	0	0	0	0	114.6	L1455	S1451-L1455 WeakPolarHBondContact O-CD1 3.46Å
1452	L	36.2	Very low	41.1	Very low	135 Å²	135	106.1 Å²	106.1	71%	0.707	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.5	-27	172.2	-82.1	169.6	0	0	0	112.3	S1450 F1456	S1450-L1452 PolarHBondContact O-N 3.33Å; L1452-F1456 VanDerWaalsContact O-CB 3.31Å; L1452-F1456 WeakPolarHBondContact O-CB 3.34Å; L1452-F1456 PolarHBondContact O-N 2.94Å
1453	S	39	Very low	42.6	Very low	66 Å²	66	104.1 Å²	104.1	46%	0.462	61%	0.607	S	S	.	*	H	α-helix	trans	-92.8	-42.8	-177.6	53.9	0	0	0	0	113.2	S1450 L1455 F1456 I1457	S1450-S1453 PolarHBondContact O-N 3.01Å; S1450-S1453 VanDerWaalsContact O-N 3.13Å; S1450-S1453 PolarHBondContact O-OG 2.75Å; S1453-L1455 PolarHBondContact O-N 2.84Å; S1453-F1456 PolarHBondContact O-N 2.87Å; S1453-F1456 VanDerWaalsContact O-N 3.08Å; S1453-I1457 PolarHBondContact O-N 3.45Å
1454	A	40.9	Very low	44.3	Very low	63 Å²	63	102.9 Å²	102.9	52%	0.521	60%	0.595	S	S	.	*	H	α-helix	trans	-60.7	-33.2	165	0	0	0	0	0	110.5	S1450 M1458	S1450-A1454 PolarHBondContact O-N 3.35Å; A1454-M1458 WeakPolarHBondContact O-CB 3.28Å; A1454-M1458 VanDerWaalsContact O-CG 3.23Å; A1454-M1458 WeakPolarHBondContact O-CG 3.04Å; A1454-M1458 PolarHBondContact O-N 3.5Å
1455	L	48.2	Very low	45.6	Very low	93 Å²	93	99 Å²	99	49%	0.487	58%	0.579	S	S	.	*	H	α-helix	trans	-69.9	-36.1	172.5	-128.9	153.8	0	0	0	111.8	S1451 S1453 L1459	S1451-L1455 WeakPolarHBondContact O-CD1 3.46Å; S1453-L1455 PolarHBondContact O-N 2.84Å; L1455-L1459 HydrophobicContact CD2-CD1 3.7Å; L1455-L1459 HydrophobicContact CD2-CG 4.13Å; L1455-L1459 WeakPolarHBondContact O-CB 3.46Å; L1455-L1459 WeakPolarHBondContact O-CD1 3.3Å; L1455-L1459 WeakPolarHBondContact O-CG 3.49Å; L1455-L1459 PolarHBondContact O-N 3.17Å
1456	F	54.9	Low	46.8	Very low	137 Å²	137	96.5 Å²	96.5	60%	0.601	56%	0.56	S	S	*	*	H	α-helix	trans	-72.8	-40.4	176.3	-154	-107.1	0	0	0	113.3	L1452 S1453 L1459 L1460	L1452-F1456 VanDerWaalsContact O-CB 3.31Å; L1452-F1456 WeakPolarHBondContact O-CB 3.34Å; L1452-F1456 PolarHBondContact O-N 2.94Å; S1453-F1456 PolarHBondContact O-N 2.87Å; S1453-F1456 VanDerWaalsContact O-N 3.08Å; F1456-L1459 CarbonylContact O-C 3.27Å; F1456-L1459 PolarHBondContact O-N 3.37Å; F1456-L1460 HydrophobicContact CD1-CD1 3.69Å; F1456-L1460 HydrophobicContact CD1-CG 4.32Å; F1456-L1460 HydrophobicContact CE1-CD1 3.69Å; F1456-L1460 HydrophobicContact CE1-CG 4.33Å; F1456-L1460 WeakPolarHBondContact O-CB 3.5Å; F1456-L1460 WeakPolarHBondContact O-CG 3.31Å; F1456-L1460 PolarHBondContact O-N 2.91Å
1457	I	58	Low	48.3	Very low	108 Å²	108	100 Å²	100	55%	0.554	55%	0.551	S	S	*	*	H	α-helix	trans	-75.4	-36.4	176.7	-64.6	176.9	0	0	0	110.9	S1453 L1459 L1460 L1461	S1453-I1457 PolarHBondContact O-N 3.45Å; I1457-L1459 VanDerWaalsContact C-N 3.3Å; I1457-L1459 PolarHBondContact O-N 2.92Å; I1457-L1460 PolarHBondContact O-N 3.16Å; I1457-L1461 HydrophobicContact CG2-CD1 4.14Å; I1457-L1461 WeakPolarHBondContact O-CB 3.35Å; I1457-L1461 PolarHBondContact O-N 3.26Å
1458	M	52.6	Low	49.3	Very low	115 Å²	115	105.7 Å²	105.7	57%	0.567	55%	0.55	S	S	*	*	H	α-helix	trans	-63.9	-34.6	165.5	-75.4	-67.3	-69.6	0	0	111.6	A1454 L1462	A1454-M1458 WeakPolarHBondContact O-CB 3.28Å; A1454-M1458 VanDerWaalsContact O-CG 3.23Å; A1454-M1458 WeakPolarHBondContact O-CG 3.04Å; A1454-M1458 PolarHBondContact O-N 3.5Å; M1458-L1462 WeakPolarHBondContact O-CA 3.16Å; M1458-L1462 WeakPolarHBondContact O-CB 3.17Å; M1458-L1462 WeakPolarHBondContact O-CD1 3.39Å; M1458-L1462 WeakPolarHBondContact O-CG 3.38Å; M1458-L1462 PolarHBondContact O-N 2.83Å
1459	L	59.6	Low	50.2	Low	98 Å²	98	101.5 Å²	101.5	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-74.1	-24	173.6	-80.6	168.3	0	0	0	113.4	L1455 F1456 I1457 S1463	L1455-L1459 HydrophobicContact CD2-CD1 3.7Å; L1455-L1459 HydrophobicContact CD2-CG 4.13Å; L1455-L1459 WeakPolarHBondContact O-CB 3.46Å; L1455-L1459 WeakPolarHBondContact O-CD1 3.3Å; L1455-L1459 WeakPolarHBondContact O-CG 3.49Å; L1455-L1459 PolarHBondContact O-N 3.17Å; F1456-L1459 CarbonylContact O-C 3.27Å; F1456-L1459 PolarHBondContact O-N 3.37Å; I1457-L1459 VanDerWaalsContact C-N 3.3Å; I1457-L1459 PolarHBondContact O-N 2.92Å; L1459-S1463 WeakPolarHBondContact O-CA 3.48Å; L1459-S1463 WeakPolarHBondContact O-CB 3.19Å; L1459-S1463 PolarHBondContact O-N 2.82Å
1460	L	65	Low	50.9	Low	83 Å²	83	100.4 Å²	100.4	44%	0.435	53%	0.526	S	S	.	.	H	α-helix	trans	-83.6	-42.6	175	-79.1	170.1	0	0	0	112.1	F1456 I1457 S1463 L1464	F1456-L1460 HydrophobicContact CD1-CD1 3.69Å; F1456-L1460 HydrophobicContact CD1-CG 4.32Å; F1456-L1460 HydrophobicContact CE1-CD1 3.69Å; F1456-L1460 HydrophobicContact CE1-CG 4.33Å; F1456-L1460 WeakPolarHBondContact O-CB 3.5Å; F1456-L1460 WeakPolarHBondContact O-CG 3.31Å; F1456-L1460 PolarHBondContact O-N 2.91Å; I1457-L1460 PolarHBondContact O-N 3.16Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.21Å; L1460-S1463 CarbonylContact O-C 3.57Å; L1460-S1463 WeakPolarHBondContact O-CA 3.39Å; L1460-S1463 PolarHBondContact O-N 3.25Å; L1460-S1463 PolarHBondContact O-OG 3.34Å; L1460-L1464 PolarHBondContact O-N 3.22Å
1461	L	57.3	Low	51.3	Low	94 Å²	94	106.3 Å²	106.3	49%	0.492	54%	0.537	S	S	.	.	H	α-helix	trans	-69.7	-34.8	169.7	-71.1	173.1	0	0	0	111.3	I1457 L1464 I1465	I1457-L1461 HydrophobicContact CG2-CD1 4.14Å; I1457-L1461 WeakPolarHBondContact O-CB 3.35Å; I1457-L1461 PolarHBondContact O-N 3.26Å; L1461-L1464 PolarHBondContact O-N 3.18Å; L1461-I1465 VanDerWaalsContact O-CB 3.23Å; L1461-I1465 WeakPolarHBondContact O-CB 3.48Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.32Å; L1461-I1465 PolarHBondContact O-N 3.46Å
1462	L	55.9	Low	51.3	Low	73 Å²	73	111.7 Å²	111.7	38%	0.382	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-38.8	162.5	-74.9	165.5	0	0	0	110.3	M1458 L1464 I1465 I1466	M1458-L1462 WeakPolarHBondContact O-CA 3.16Å; M1458-L1462 WeakPolarHBondContact O-CB 3.17Å; M1458-L1462 WeakPolarHBondContact O-CD1 3.39Å; M1458-L1462 WeakPolarHBondContact O-CG 3.38Å; M1458-L1462 PolarHBondContact O-N 2.83Å; L1462-L1464 VanDerWaalsContact C-N 3.28Å; L1462-L1464 PolarHBondContact O-N 2.94Å; L1462-I1465 PolarHBondContact O-N 2.83Å; L1462-I1466 HydrophobicContact CB-CD1 3.94Å; L1462-I1466 HydrophobicContact CB-CG1 4.45Å; L1462-I1466 HydrophobicContact CD2-CD1 4.44Å; L1462-I1466 WeakPolarHBondContact O-CA 3.26Å; L1462-I1466 WeakPolarHBondContact O-CB 3.42Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.48Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.48Å; L1462-I1466 PolarHBondContact O-N 3.37Å
1463	S	62.1	Low	51.3	Low	57 Å²	57	114.5 Å²	114.5	40%	0.399	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-35	177.9	77.4	0	0	0	0	112.4	L1459 L1460 Y1467	L1459-S1463 WeakPolarHBondContact O-CA 3.48Å; L1459-S1463 WeakPolarHBondContact O-CB 3.19Å; L1459-S1463 PolarHBondContact O-N 2.82Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.21Å; L1460-S1463 CarbonylContact O-C 3.57Å; L1460-S1463 WeakPolarHBondContact O-CA 3.39Å; L1460-S1463 PolarHBondContact O-N 3.25Å; L1460-S1463 PolarHBondContact O-OG 3.34Å; S1463-Y1467 WeakPolarHBondContact O-CB 3.17Å; S1463-Y1467 PolarHBondContact O-N 3.29Å
1464	L	63.9	Low	50.9	Low	109 Å²	109	116.8 Å²	116.8	57%	0.571	57%	0.57	S	S	*	*	H	α-helix	trans	-79.5	-38.9	176.3	-72.8	168	0	0	0	112.9	L1460 L1461 L1462 I1466 Y1467 W1468	L1460-L1464 PolarHBondContact O-N 3.22Å; L1461-L1464 PolarHBondContact O-N 3.18Å; L1462-L1464 VanDerWaalsContact C-N 3.28Å; L1462-L1464 PolarHBondContact O-N 2.94Å; L1464-I1466 VanDerWaalsContact C-N 3.35Å; L1464-Y1467 WeakPolarHBondContact O-CB 3.41Å; L1464-Y1467 PolarHBondContact O-N 3.33Å; L1464-W1468 WeakPolarHBondContact O-CB 3.42Å; L1464-W1468 PolarHBondContact O-N 3.35Å
1465	I	54.6	Low	50.4	Low	93 Å²	93	123.7 Å²	123.7	48%	0.477	59%	0.589	S	S	.	*	H	α-helix	trans	-71.5	-31.8	173.6	-67.1	167.2	0	0	0	110.6	L1461 L1462 T1469	L1461-I1465 VanDerWaalsContact O-CB 3.23Å; L1461-I1465 WeakPolarHBondContact O-CB 3.48Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.32Å; L1461-I1465 PolarHBondContact O-N 3.46Å; L1462-I1465 PolarHBondContact O-N 2.83Å; I1465-T1469 HydrophobicContact CG2-CG2 4.23Å; I1465-T1469 VanDerWaalsContact O-CB 3.23Å; I1465-T1469 WeakPolarHBondContact O-CB 3.37Å; I1465-T1469 VanDerWaalsContact O-CG2 3.25Å; I1465-T1469 WeakPolarHBondContact O-CG2 2.97Å; I1465-T1469 PolarHBondContact O-N 3.45Å; I1465-T1469 PolarHBondContact O-OG1 3.31Å
1466	I	54.4	Low	49.5	Very low	73 Å²	73	129.1 Å²	129.1	37%	0.374	60%	0.604	S	S	.	*	H	α-helix	trans	-74.2	-37.4	171.7	-69.3	170.1	0	0	0	109.7	L1462 L1464 W1468 T1469 I1470	L1462-I1466 HydrophobicContact CB-CD1 3.94Å; L1462-I1466 HydrophobicContact CB-CG1 4.45Å; L1462-I1466 HydrophobicContact CD2-CD1 4.44Å; L1462-I1466 WeakPolarHBondContact O-CA 3.26Å; L1462-I1466 WeakPolarHBondContact O-CB 3.42Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.48Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.48Å; L1462-I1466 PolarHBondContact O-N 3.37Å; L1464-I1466 VanDerWaalsContact C-N 3.35Å; I1466-W1468 VanDerWaalsContact C-N 3.34Å; I1466-W1468 PolarHBondContact O-N 3.3Å; I1466-T1469 PolarHBondContact O-N 3.43Å; I1466-I1470 HydrophobicContact CG2-CD1 3.34Å; I1466-I1470 HydrophobicContact CG2-CG1 3.72Å; I1466-I1470 WeakPolarHBondContact O-CA 3.34Å; I1466-I1470 WeakPolarHBondContact O-CB 3.01Å; I1466-I1470 VanDerWaalsContact O-CG1 3.32Å; I1466-I1470 WeakPolarHBondContact O-CG1 3.09Å; I1466-I1470 PolarHBondContact O-N 3.22Å
1467	Y	57.9	Low	48.2	Very low	179 Å²	179	129.3 Å²	129.3	70%	0.702	61%	0.61	S	S	*	*	H	α-helix	trans	-58.7	-47.6	169.1	-178.1	-107.8	0	0	0	110.4	S1463 L1464 Y1471	S1463-Y1467 WeakPolarHBondContact O-CB 3.17Å; S1463-Y1467 PolarHBondContact O-N 3.29Å; L1464-Y1467 WeakPolarHBondContact O-CB 3.41Å; L1464-Y1467 PolarHBondContact O-N 3.33Å; Y1467-Y1471 WeakPolarHBondContact O-CB 3.12Å; Y1467-Y1471 PolarHBondContact O-N 2.97Å; Y1467-Y1471 VanDerWaalsContact O-N 3.1Å
1468	W	48.8	Very low	46.8	Very low	194 Å²	194	134.8 Å²	134.8	74%	0.735	62%	0.624	S	S	*	*	H	α-helix	trans	-71.4	-32.3	179.7	-158	61.9	0	0	0	114	L1464 I1466 K1472	L1464-W1468 WeakPolarHBondContact O-CB 3.42Å; L1464-W1468 PolarHBondContact O-N 3.35Å; I1466-W1468 VanDerWaalsContact C-N 3.34Å; I1466-W1468 PolarHBondContact O-N 3.3Å; W1468-K1472 PolarHBondContact O-N 2.76Å
1469	T	45.1	Very low	45.7	Very low	65 Å²	65	134.5 Å²	134.5	40%	0.399	62%	0.623	S	S	.	*	H	α-helix	trans	-93.2	-27.7	-179.7	57.9	0	0	0	0	114.5	I1465 I1466 Y1471 K1472 R1473	I1465-T1469 HydrophobicContact CG2-CG2 4.23Å; I1465-T1469 VanDerWaalsContact O-CB 3.23Å; I1465-T1469 WeakPolarHBondContact O-CB 3.37Å; I1465-T1469 VanDerWaalsContact O-CG2 3.25Å; I1465-T1469 WeakPolarHBondContact O-CG2 2.97Å; I1465-T1469 PolarHBondContact O-N 3.45Å; I1465-T1469 PolarHBondContact O-OG1 3.31Å; I1466-T1469 PolarHBondContact O-N 3.43Å; T1469-Y1471 VanDerWaalsContact C-N 3.29Å; T1469-K1472 CarbonylContact O-C 3.47Å; T1469-K1472 PolarHBondContact O-N 3.04Å; T1469-K1472 VanDerWaalsContact O-N 3.14Å; T1469-R1473 PolarHBondContact O-N 3.11Å
1470	I	45.1	Very low	44.2	Very low	135 Å²	135	136.8 Å²	136.8	69%	0.692	63%	0.631	S	S	*	*	H	α-helix	trans	-68	-33.6	164.2	-69.3	-175.4	0	0	0	109.9	I1466 K1472	I1466-I1470 HydrophobicContact CG2-CD1 3.34Å; I1466-I1470 HydrophobicContact CG2-CG1 3.72Å; I1466-I1470 WeakPolarHBondContact O-CA 3.34Å; I1466-I1470 WeakPolarHBondContact O-CB 3.01Å; I1466-I1470 VanDerWaalsContact O-CG1 3.32Å; I1466-I1470 WeakPolarHBondContact O-CG1 3.09Å; I1466-I1470 PolarHBondContact O-N 3.22Å; I1470-K1472 PolarHBondContact O-N 2.9Å
1471	Y	42.3	Very low	42.2	Very low	204 Å²	204	139.6 Å²	139.6	80%	0.8	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-14.5	170.6	-160.6	-103.8	0	0	0	113.5	Y1467 T1469	Y1467-Y1471 WeakPolarHBondContact O-CB 3.12Å; Y1467-Y1471 PolarHBondContact O-N 2.97Å; Y1467-Y1471 VanDerWaalsContact O-N 3.1Å; T1469-Y1471 VanDerWaalsContact C-N 3.29Å
1472	K	35.2	Very low	40.8	Very low	172 Å²	172	144.2 Å²	144.2	75%	0.748	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	19.4	-173.1	-134.2	172.6	-176	177.7	0	118.8	W1468 T1469 I1470	W1468-K1472 PolarHBondContact O-N 2.76Å; T1469-K1472 CarbonylContact O-C 3.47Å; T1469-K1472 PolarHBondContact O-N 3.04Å; T1469-K1472 VanDerWaalsContact O-N 3.14Å; I1470-K1472 PolarHBondContact O-N 2.9Å
1473	R	36	Very low	39.3	Very low	193 Å²	193	146.5 Å²	146.5	73%	0.728	67%	0.667	S	S	*	*	S	Bend	trans	-152.9	130.3	159.8	-119.8	168.7	-175.3	170.6	2.4	116	T1469	T1469-R1473 PolarHBondContact O-N 3.11Å
1474	S	31.7	Very low	37.6	Very low	115 Å²	115	148.6 Å²	148.6	80%	0.804	68%	0.678	S	S	*	*			trans	63.3	90.8	167.2	55.5	0	0	0	0	119.3
1475	K	29.3	Very low	36.2	Very low	208 Å²	208	149.6 Å²	149.6	90%	0.904	69%	0.689	S	S	*	*			trans	-81.5	146	142.8	-164	174	-177.1	179.4	0	109.1
1476	Y	30.9	Very low	34.9	Very low	206 Å²	206	151.9 Å²	151.9	81%	0.808	70%	0.7	S	S	*	*			trans	-48.3	142.6	179.1	-72.1	-108.6	0	0	0	113
1477	I	26.6	Very low	33.7	Very low	141 Å²	141	155.2 Å²	155.2	72%	0.723	72%	0.719	S	S	*	*			cis	71.3	127.4	49.9	-59.3	175	0	0	0	113
1478	R	28.8	Very low	32.2	Very low	224 Å²	224	151.9 Å²	151.9	85%	0.845	72%	0.717	S	S	*	*			trans	102.5	146.4	-177.3	-71.2	-167.1	170	-153.8	-3.1	114.6
1479	I	28.4	Very low	31.5	Very low	109 Å²	109	148.6 Å²	148.6	56%	0.559	72%	0.719	S	S	*	*			cis	-155.2	-162.6	-20.8	-122.6	172.5	0	0	0	109.3
1480	E	28.6	Very low	30.8	Very low	145 Å²	145	151.8 Å²	151.8	68%	0.678	73%	0.733	S	S	*	*			trans	-33.5	147.5	177	-64.8	88.6	-106.7	0	0	117.2
1481	Q	23.5	Very low	30.2	Very low	142 Å²	142	151.2 Å²	151.2	66%	0.664	73%	0.731	S	S	*	*			cis	89.8	119.1	37.2	-137.5	-174.7	-6.7	0	0	115.2
1482	Y	27	Very low	29.7	Very low	191 Å²	191	146.8 Å²	146.8	75%	0.749	73%	0.726	S	S	*	*			trans	66	150	162.5	-70.8	-55.1	0	0	0	119.3
1483	D	26.2	Very low	29.6	Very low	122 Å²	122	143.8 Å²	143.8	65%	0.652	72%	0.722	S	S	*	*			cis	-159.6	167.4	-6.6	-139.7	-21	0	0	0	115.7
1484	T	25.9	Very low	29.2	Very low	101 Å²	101	140.9 Å²	140.9	62%	0.62	72%	0.721	S	S	*	*			trans	67.5	158.3	151.9	54.8	0	0	0	0	124.6
1485	T	33.6	Very low	29.2	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	71%	0.713	S	S	*	*			trans	75	107.1	172.9	64.9	0	0	0	0	117
1486	I	28.6	Very low	29.1	Very low	141 Å²	141	136.8 Å²	136.8	72%	0.723	71%	0.709	S	S	*	*			cis	102.9	127.3	8.5	-55.9	173.7	0	0	0	116.5
1487	N	28.4	Very low	29	Very low	142 Å²	142	130.5 Å²	130.5	76%	0.759	71%	0.707	S	S	*	*			trans	75.2	145.7	163.3	-76.3	3.9	0	0	0	119.7
1488	T	27.1	Very low	29	Very low	109 Å²	109	130.2 Å²	130.2	67%	0.669	71%	0.712	S	S	*	*			cis	-164	173	-9.3	14.5	0	0	0	0	111.5
1489	T	32.8	Very low	29.1	Very low	125 Å²	125	125.8 Å²	125.8	77%	0.767	71%	0.705	S	S	*	*			trans	71.6	142.1	171.3	72.4	0	0	0	0	115.5
1490	D	31.9	Very low	29.3	Very low	132 Å²	132	126.4 Å²	126.4	71%	0.706	71%	0.71	S	S	*	*			cis	-166.4	161.6	-10.8	-117.5	45.4	0	0	0	105.5
1491	N	32	Very low	29.4	Very low	123 Å²	123	126 Å²	126	66%	0.658	71%	0.712	S	S	*	*			cis	-169	166.2	-22.1	-127.8	-31	0	0	0	104.3
1492	T	31.6	Very low	29.8	Very low	111 Å²	111	124.9 Å²	124.9	68%	0.681	71%	0.711	S	S	*	*			cis	-155	166.4	6.2	28.2	0	0	0	0	103.9
1493	T	32	Very low	29.9	Very low	109 Å²	109	121.1 Å²	121.1	67%	0.669	70%	0.704	S	S	*	*			cis	-178.3	157.6	-0.9	33.4	0	0	0	0	103.5
1494	N	29.5	Very low	30.1	Very low	132 Å²	132	120 Å²	120	71%	0.706	70%	0.697	S	S	*	*			cis	-169.3	156.6	-2.5	-105.6	13.3	0	0	0	106.3
1495	T	30.4	Very low	30.2	Very low	105 Å²	105	123.7 Å²	123.7	64%	0.644	71%	0.705	S	S	*	*			cis	-155.7	145.8	-6.1	0.3	0	0	0	0	110.3
1496	T	28.3	Very low	30	Very low	132 Å²	132	121.2 Å²	121.2	81%	0.81	71%	0.705	S	S	*	*			trans	20.8	141.1	144	58.7	0	0	0	0	122.5
1497	G	27.6	Very low	30	Very low	75 Å²	75	121.9 Å²	121.9	77%	0.773	71%	0.71	S	S	*	*			cis	135.3	126	-3.8	0	0	0	0	0	114.6
1498	T	27.6	Very low	30.2	Very low	135 Å²	135	125.4 Å²	125.4	83%	0.828	72%	0.719	S	S	*	*			trans	-85.1	177.8	167	56.3	0	0	0	0	109.9
1499	N	31.3	Very low	30.2	Very low	131 Å²	131	124.1 Å²	124.1	70%	0.701	72%	0.715	S	S	*	*			cis	-172.3	-167.9	28.8	-153.2	-15.6	0	0	0	111.6
1500	N	31.4	Very low	29.9	Very low	122 Å²	122	123 Å²	123	65%	0.652	71%	0.71	S	S	*	*			trans	78.4	156.5	155.3	-63	-27	0	0	0	117.4
1501	N	31	Very low	29.5	Very low	137 Å²	137	126 Å²	126	73%	0.733	72%	0.717	S	S	*	*			cis	-155.7	174.6	14.8	-111.2	-22	0	0	0	108
1502	N	31.3	Very low	29.3	Very low	118 Å²	118	127.3 Å²	127.3	63%	0.631	72%	0.723	S	S	*	*			cis	174.7	174.5	-33.3	-129.3	-42.8	0	0	0	107
1503	N	30.4	Very low	29.1	Very low	112 Å²	112	125.1 Å²	125.1	60%	0.599	71%	0.712	S	S	*	*			cis	-163.4	-170.9	-2.8	-162	-75.4	0	0	0	107.1
1504	N	29.8	Very low	28.9	Very low	97 Å²	97	126 Å²	126	52%	0.519	71%	0.712	S	S	.	*			trans	80.4	143.3	153.6	-57.4	-46.9	0	0	0	120.7
1505	K	27	Very low	28.8	Very low	179 Å²	179	126.6 Å²	126.6	78%	0.778	72%	0.715	S	S	*	*			cis	-168	145.1	-18.4	-116.5	168.1	-176.1	121.2	0	109.7
1506	G	30.9	Very low	28.7	Very low	78 Å²	78	128 Å²	128	80%	0.804	71%	0.712	S	S	*	*			trans	-178.4	102.8	169	0	0	0	0	0	115.2
1507	N	27.5	Very low	28.7	Very low	156 Å²	156	126.3 Å²	126.3	83%	0.834	70%	0.697	S	S	*	*			trans	-106.3	143.5	-179.2	-87.4	-23.1	0	0	0	112.7
1508	K	32.8	Very low	28.6	Very low	216 Å²	216	127.8 Å²	127.8	94%	0.939	70%	0.695	S	S	*	*				-172.4	167.2	127.6	-105.5	163.6	-174.8	180	0	112.7
1509	S	28.2	Very low	28.6	Very low	82 Å²	82	128 Å²	128	57%	0.573	69%	0.686	S	S	*	*			trans	-130.7	171.9	-174.2	63.3	0	0	0	0	112.2
1510	C	26.2	Very low	28.3	Very low	100 Å²	100	129.1 Å²	129.1	68%	0.676	69%	0.685	S	S	*	*			trans	81.6	128.6	160.7	-64.3	0	0	0	0	119.6
1511	F	23.4	Very low	28.1	Very low	195 Å²	195	131.6 Å²	131.6	86%	0.855	69%	0.69	S	S	*	*			trans	71.5	157.4	146.2	-89.1	-105.9	0	0	0	119.9
1512	I	27.1	Very low	27.8	Very low	152 Å²	152	136.1 Å²	136.1	78%	0.779	70%	0.697	S	S	*	*			trans	76.9	118.4	169.4	-59.7	159.8	0	0	0	116.7
1513	S	27.9	Very low	27.5	Very low	64 Å²	64	135.5 Å²	135.5	45%	0.448	70%	0.698	S	S	.	*			trans	57.3	97.2	154.8	-58.3	0	0	0	0	120.1
1514	L	27.8	Very low	27.2	Very low	128 Å²	128	139.7 Å²	139.7	67%	0.67	71%	0.714	S	S	*	*	S	Bend	trans	-121.7	-21.6	143.7	-103.6	159.1	0	0	0	113.6	K1516 I1517	L1514-K1516 PolarHBondContact O-N 3.47Å; L1514-I1517 HydrophobicContact CD2-CB 4.41Å; L1514-I1517 PolarHBondContact O-N 3.45Å
1515	N	27.8	Very low	27.1	Very low	145 Å²	145	138.5 Å²	138.5	78%	0.775	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	56.6	150.5	-75.7	18.6	0	0	0	110.8
1516	K	27.1	Very low	27	Very low	134 Å²	134	138.5 Å²	138.5	58%	0.583	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-169.4	10.6	171.8	-119.9	162.1	-171.8	166.8	0	114.4	L1514 K1520	L1514-K1516 PolarHBondContact O-N 3.47Å; K1516-K1520 WeakPolarHBondContact O-CD 3.24Å
1517	I	28.3	Very low	26.7	Very low	96 Å²	96	140.6 Å²	140.6	49%	0.492	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-121.9	-42	171.2	-62.7	-178.1	0	0	0	110.5	L1514 K1520	L1514-I1517 HydrophobicContact CD2-CB 4.41Å; L1514-I1517 PolarHBondContact O-N 3.45Å; I1517-K1520 WeakPolarHBondContact O-CA 3.47Å; I1517-K1520 WeakPolarHBondContact O-CB 3.49Å; I1517-K1520 PolarHBondContact O-N 3.44Å
1518	C	25.8	Very low	26.7	Very low	107 Å²	107	141.3 Å²	141.3	72%	0.723	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-70.7	-32.3	173.5	-61.6	0	0	0	0	113.5	K1520	C1518-K1520 PolarHBondContact O-N 3.43Å
1519	E	26.9	Very low	26.3	Very low	139 Å²	139	137.5 Å²	137.5	65%	0.65	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-72.3	-3.4	167.9	-70.9	-176.5	125.9	0	0	113.3
1520	K	26.9	Very low	26.2	Very low	154 Å²	154	139.4 Å²	139.4	67%	0.67	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-115	11.7	-167.3	-135	-176.9	-178	-171.4	0	114.9	K1516 I1517 C1518	K1516-K1520 WeakPolarHBondContact O-CD 3.24Å; I1517-K1520 WeakPolarHBondContact O-CA 3.47Å; I1517-K1520 WeakPolarHBondContact O-CB 3.49Å; I1517-K1520 PolarHBondContact O-N 3.44Å; C1518-K1520 PolarHBondContact O-N 3.43Å
1521	F	25.7	Very low	26.2	Very low	175 Å²	175	138.5 Å²	138.5	77%	0.768	71%	0.707	S	S	*	*	S	Bend	trans	-131.1	0.1	174.1	-91.6	-78.7	0	0	0	114.5
1522	W	24.4	Very low	26.3	Very low	232 Å²	232	139.1 Å²	139.1	88%	0.879	71%	0.709	S	S	*	*	S	Bend	trans	-121.8	21.9	174.5	-96.8	64.1	0	0	0	113.7
1523	T	25.2	Very low	26.2	Very low	104 Å²	104	139 Å²	139	64%	0.638	70%	0.703	S	S	*	*	S	Bend	trans	-131.4	137.9	154.4	52.8	0	0	0	0	109.4
1524	Q	24.3	Very low	26.2	Very low	200 Å²	200	145 Å²	145	94%	0.935	72%	0.721	S	S	*	*			trans	65.3	113.2	-175.7	-53	-174.7	0.3	0	0	115.2
1525	G	27.3	Very low	26	Very low	72 Å²	72	148.1 Å²	148.1	74%	0.742	73%	0.729	S	S	*	*			cis	172.4	-170	-2.9	0	0	0	0	0	114.3
1526	K	24.7	Very low	26.1	Very low	180 Å²	180	149.2 Å²	149.2	78%	0.783	73%	0.727	S	S	*	*			trans	-58.3	133.9	167.4	-62.8	176.7	-178.6	174.6	0	110.2
1527	P	26	Very low	26.2	Very low	121 Å²	121	148.5 Å²	148.5	79%	0.786	73%	0.726	S	S	*	*			trans	-95.9	103.2	164.7	33.5	-28.4	0	0	0	111.4
1528	Q	26.5	Very low	26.3	Very low	171 Å²	171	151.1 Å²	151.1	80%	0.799	73%	0.734	S	S	*	*			trans	-142.2	124.7	140.7	-72.8	-151.1	7.1	0	0	106.2
1529	L	24.2	Very low	26.4	Very low	136 Å²	136	152.2 Å²	152.2	71%	0.712	73%	0.732	S	S	*	*				58.9	122.9	76	-66.2	167.5	0	0	0	110.3
1530	V	27.4	Very low	26.5	Very low	123 Å²	123	154 Å²	154	75%	0.745	74%	0.738	S	S	*	*			cis	-146.9	120.1	33	172.8	0	0	0	0	114.2
1531	I	25.1	Very low	26.5	Very low	81 Å²	81	152.1 Å²	152.1	42%	0.415	73%	0.732	S	S	.	*				32.1	124.9	129.3	-50	166.6	0	0	0	120.6	K1533	I1531-K1533 HydrophobicContact CG2-CB 4.2Å; I1531-K1533 HydrophobicContact CG2-CD 3.51Å; I1531-K1533 HydrophobicContact CG2-CG 3.61Å
1532	K	26.7	Very low	26.7	Very low	207 Å²	207	150.5 Å²	150.5	90%	0.9	72%	0.724	S	S	*	*				-162.2	92	125.5	-104.5	152.9	-171.2	171.3	0	111.2
1533	K	25.3	Very low	26.9	Very low	149 Å²	149	149 Å²	149	65%	0.648	72%	0.718	S	S	*	*				48.2	108.4	87.1	-79.5	174.5	-177.1	167.3	0	115	I1531	I1531-K1533 HydrophobicContact CG2-CB 4.2Å; I1531-K1533 HydrophobicContact CG2-CD 3.51Å; I1531-K1533 HydrophobicContact CG2-CG 3.61Å
1534	K	26.7	Very low	27.2	Very low	192 Å²	192	153.1 Å²	153.1	84%	0.835	73%	0.727	S	S	*	*				-177.7	127.1	105.8	-98.2	163.7	-174.2	171.7	0	115.3
1535	K	24.8	Very low	27.4	Very low	193 Å²	193	152.4 Å²	152.4	84%	0.839	72%	0.721	S	S	*	*			trans	41.4	131.1	136.1	-60.9	-178.6	176	-175.2	0	120.4
1536	K	28.7	Very low	27.3	Very low	167 Å²	167	154 Å²	154	73%	0.726	72%	0.721	S	S	*	*				-164.9	130.6	93.9	-98.2	-178.4	175.5	-116	0	110.4
1537	E	29.8	Very low	27.5	Very low	120 Å²	120	154.2 Å²	154.2	56%	0.561	72%	0.722	S	S	*	*				74.4	139.5	115.1	-66.9	178.5	-146.6	0	0	114.8
1538	K	29	Very low	27.4	Very low	151 Å²	151	154 Å²	154	66%	0.657	72%	0.718	S	S	*	*			cis	-166.5	154.6	7.9	-121.1	163.9	-174.6	153.6	0	109.7
1539	N	28.4	Very low	27.4	Very low	129 Å²	129	154.6 Å²	154.6	69%	0.69	72%	0.719	S	S	*	*			trans	50.3	138.5	140.1	-65.7	-6.7	0	0	0	120.5
1540	K	29.1	Very low	27.4	Very low	178 Å²	178	154.1 Å²	154.1	77%	0.774	72%	0.721	S	S	*	*			cis	-160.8	174.2	16.6	-100.7	146.6	178.3	-179.1	0	107.2
1541	E	27.9	Very low	27.5	Very low	114 Å²	114	154.9 Å²	154.9	53%	0.533	72%	0.72	S	S	.	*			cis	156	148.4	-22.2	-167.4	-147.9	144.8	0	0	106.4
1542	K	29.2	Very low	27.6	Very low	141 Å²	141	154.7 Å²	154.7	61%	0.613	73%	0.731	S	S	*	*			trans	85.4	141	165.7	-56.4	-172	172.2	73.5	0	118.4
1543	R	28	Very low	27.6	Very low	200 Å²	200	151 Å²	151	76%	0.755	73%	0.726	S	S	*	*			cis	-171.9	166.3	-17.6	-117.9	171.5	-172.1	-175	-0.3	111.8
1544	K	31.4	Very low	27.5	Very low	190 Å²	190	152.6 Å²	152.6	83%	0.826	73%	0.733	S	S	*	*			trans	86.8	144.7	167.3	-52.5	172	-173.3	172.1	0	115.1
1545	K	30.1	Very low	27.5	Very low	186 Å²	186	150 Å²	150	81%	0.809	73%	0.728	S	S	*	*			cis	-161.3	129.4	-23.3	-101.8	-173.8	-179.6	-177.1	0	104.4
1546	S	24.1	Very low	27.6	Very low	105 Å²	105	148 Å²	148	73%	0.734	72%	0.721	S	S	*	*				67.5	98.7	63	-177.8	0	0	0	0	114.9
1547	K	29.3	Very low	27.4	Very low	184 Å²	184	149.7 Å²	149.7	80%	0.8	72%	0.723	S	S	*	*			trans	170.6	126.5	136.2	-94	179.8	176.3	-164.8	0	107.3
1548	T	24.2	Very low	27.1	Very low	116 Å²	116	148.1 Å²	148.1	71%	0.712	73%	0.725	S	S	*	*				52.3	111	53.8	68.6	0	0	0	0	115.1
1549	F	26.3	Very low	27.2	Very low	184 Å²	184	148.5 Å²	148.5	81%	0.807	73%	0.733	S	S	*	*				-158.2	147.5	117.9	-129.4	-104.5	0	0	0	112.3	I1551	F1549-I1551 HydrophobicContact CD1-CD1 4.38Å; F1549-I1551 HydrophobicContact CE1-CD1 4.1Å
1550	T	24.7	Very low	27.1	Very low	126 Å²	126	147.9 Å²	147.9	77%	0.773	73%	0.729	S	S	*	*			trans	-94.6	162.2	173	-41.9	0	0	0	0	109.5
1551	I	28.2	Very low	27.2	Very low	140 Å²	140	146.8 Å²	146.8	72%	0.718	73%	0.732	S	S	*	*			trans	153.5	139.7	142.6	-82.5	155.7	0	0	0	111.5	F1549	F1549-I1551 HydrophobicContact CD1-CD1 4.38Å; F1549-I1551 HydrophobicContact CE1-CD1 4.1Å
1552	A	28.4	Very low	26.9	Very low	77 Å²	77	150 Å²	150	64%	0.636	74%	0.74	S	S	*	*			trans	54.3	125.2	162.5	0	0	0	0	0	118.1
1553	T	25.7	Very low	26.9	Very low	129 Å²	129	151.5 Å²	151.5	79%	0.791	75%	0.747	S	S	*	*			cis	67	133.1	24.2	88	0	0	0	0	117.2
1554	K	24.3	Very low	26.7	Very low	183 Å²	183	147.9 Å²	147.9	80%	0.796	74%	0.742	S	S	*	*			trans	72.7	114.6	-179.9	-64.2	-178.4	178.4	178.5	0	114.6
1555	N	25.7	Very low	26.4	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	74%	0.739	S	S	*	*				63.3	115.5	77.5	-54.5	-2.5	0	0	0	110.1
1556	H	27.5	Very low	26.5	Very low	149 Å²	149	144.4 Å²	144.4	69%	0.69	74%	0.736	S	S	*	*				-136.8	148.3	58.4	-97.8	-134.3	0	0	0	111.8
1557	R	24.2	Very low	26.5	Very low	203 Å²	203	146.9 Å²	146.9	77%	0.766	74%	0.741	S	S	*	*			cis	83.2	125.6	40.6	-164.3	-165.1	-159.6	177.2	3.4	112.7
1558	S	24.3	Very low	26.4	Very low	87 Å²	87	143.8 Å²	143.8	61%	0.608	73%	0.731	S	S	*	*			trans	55.3	95.4	157.6	60.8	0	0	0	0	119.6
1559	I	30.2	Very low	26.4	Very low	159 Å²	159	145.8 Å²	145.8	82%	0.815	73%	0.73	S	S	*	*				-117.4	101.8	119.7	-69	-175.6	0	0	0	104
1560	L	26.8	Very low	26.6	Very low	117 Å²	117	143.4 Å²	143.4	61%	0.613	72%	0.722	S	S	*	*				58.4	103.1	100.3	-61.1	159.2	0	0	0	109.9	Y1562	L1560-Y1562 HydrophobicContact CD2-CD2 4.12Å; L1560-Y1562 HydrophobicContact CD2-CE2 4.43Å
1561	N	30.1	Very low	26.6	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	73%	0.726	S	S	*	*			cis	55.2	60	34.8	-159.3	20.3	0	0	0	113.2
1562	Y	23.2	Very low	26.6	Very low	181 Å²	181	145.9 Å²	145.9	71%	0.71	72%	0.721	S	S	*	*			trans	-171	133.5	163.4	-99.3	-51.3	0	0	0	105.8	L1560	L1560-Y1562 HydrophobicContact CD2-CD2 4.12Å; L1560-Y1562 HydrophobicContact CD2-CE2 4.43Å
1563	K	28.6	Very low	26.3	Very low	173 Å²	173	148 Å²	148	75%	0.752	72%	0.722	S	S	*	*			cis	-126.2	147.5	2	-76.1	161.9	-177.3	172.4	0	107.8
1564	N	23.9	Very low	26.5	Very low	124 Å²	124	150 Å²	150	66%	0.663	72%	0.72	S	S	*	*				57.3	140	63	-78.9	1.4	0	0	0	113.8
1565	N	25.3	Very low	26.4	Very low	142 Å²	142	148.8 Å²	148.8	76%	0.759	72%	0.717	S	S	*	*			trans	71.2	122	179.2	-49.1	-10	0	0	0	112.4
1566	Q	32.3	Very low	26.8	Very low	161 Å²	161	146.2 Å²	146.2	75%	0.752	71%	0.707	S	S	*	*			cis	-129.6	147.6	3.4	-87.1	145	-28.2	0	0	108.7	I1568	Q1566-I1568 HydrophobicContact CG-CD1 4.46Å
1567	L	23.8	Very low	26.6	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	71%	0.707	S	S	*	*			cis	56.9	60.1	18.4	-147.1	-178.6	0	0	0	113.4
1568	I	26.1	Very low	26.6	Very low	118 Å²	118	142.2 Å²	142.2	61%	0.605	71%	0.706	S	S	*	*			trans	-159	140.7	152.7	-107.8	152.1	0	0	0	108.1	Q1566	Q1566-I1568 HydrophobicContact CG-CD1 4.46Å
1569	K	24.9	Very low	26.5	Very low	158 Å²	158	147.3 Å²	147.3	69%	0.687	71%	0.711	S	S	*	*			trans	1.4	155.4	153.4	-23.2	174.7	-162.5	171.7	0	119.1
1570	E	30.3	Very low	26.1	Very low	135 Å²	135	146.5 Å²	146.5	63%	0.631	71%	0.709	S	S	*	*			cis	-135.3	160.7	7.8	-104.7	102.4	-151.6	0	0	107.6	L1572	E1570-L1572 HydrophobicContact CB-CD1 4.06Å; E1570-L1572 HydrophobicContact CG-CD1 4.04Å
1571	K	25.1	Very low	26	Very low	197 Å²	197	149 Å²	149	86%	0.857	72%	0.717	S	S	*	*			cis	65.3	43.7	21.6	-143.5	-167.5	-178.7	-174.7	0	117
1572	L	27.2	Very low	25.7	Very low	120 Å²	120	146.2 Å²	146.2	63%	0.628	71%	0.709	S	S	*	*			trans	-122.6	134.4	141.7	-77.8	114.4	0	0	0	106.8	E1570 F1574	E1570-L1572 HydrophobicContact CB-CD1 4.06Å; E1570-L1572 HydrophobicContact CG-CD1 4.04Å; L1572-F1574 HydrophobicContact CD2-CE2 4.41Å
1573	L	23.4	Very low	25.7	Very low	123 Å²	123	144.4 Å²	144.4	64%	0.644	71%	0.712	S	S	*	*				62.2	124.8	59.1	-57.1	160.3	0	0	0	109.2
1574	F	28.5	Very low	25.5	Very low	170 Å²	170	142.6 Å²	142.6	75%	0.746	71%	0.709	S	S	*	*			cis	-145.2	158.4	21.6	-62.8	-90.8	0	0	0	108.9	L1572	L1572-F1574 HydrophobicContact CD2-CE2 4.41Å
1575	H	24.1	Very low	25.8	Very low	158 Å²	158	142 Å²	142	73%	0.731	71%	0.711	S	S	*	*			cis	49.6	115.5	-5.1	-175.6	94.9	0	0	0	117.1
1576	P	34.1	Very low	25.8	Very low	83 Å²	83	142.6 Å²	142.6	54%	0.539	71%	0.712	S	S	.	*			cis	-113.5	-153.5	29.9	17.8	8.1	0	0	0	110.9
1577	L	22.7	Very low	25.4	Very low	130 Å²	130	142 Å²	142	68%	0.681	71%	0.714	S	S	*	*			cis	-155.7	155	26.8	-72.5	146.5	0	0	0	113.3
1578	N	24.2	Very low	25.5	Very low	139 Å²	139	138 Å²	138	74%	0.743	71%	0.71	S	S	*	*			trans	-69.2	117.8	152.1	175.1	4.7	0	0	0	109.2
1579	W	21.1	Very low	25.4	Very low	193 Å²	193	137.7 Å²	137.7	73%	0.731	72%	0.718	S	S	*	*			trans	-127.5	89.9	166	-91.1	62.3	0	0	0	110.4	H1581	W1579-H1581 HydrophobicContact CE3-CB 4.25Å; W1579-H1581 PolarHBondContact O-N 2.81Å
1580	N	22.2	Very low	25.3	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	73%	0.725	S	S	*	*			trans	-65.8	112.3	140.8	-88.6	-24.9	0	0	0	107.7
1581	H	25.7	Very low	25.1	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.787	73%	0.734	S	S	*	*			trans	-157.5	128	143.9	-106.2	-63.9	0	0	0	112.8	W1579	W1579-H1581 HydrophobicContact CE3-CB 4.25Å; W1579-H1581 PolarHBondContact O-N 2.81Å
1582	S	23.1	Very low	24.9	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	73%	0.729	S	S	*	*			trans	-67.1	172.8	-170.8	-39.8	0	0	0	0	116.7
1583	L	23.6	Very low	24.8	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	73%	0.732	S	S	*	*			trans	89.3	110.1	166.1	-51.3	164.7	0	0	0	114.8
1584	I	24.3	Very low	24.8	Very low	135 Å²	135	138.2 Å²	138.2	69%	0.692	73%	0.734	S	S	*	*				66.6	127.6	61.5	-63	176.4	0	0	0	111
1585	P	29.4	Very low	24.7	Very low	111 Å²	111	136.6 Å²	136.6	72%	0.721	73%	0.733	S	S	*	*			cis	-139.9	-174.2	28	35	-12.3	0	0	0	118.6
1586	M	25	Very low	24.9	Very low	155 Å²	155	137 Å²	137	76%	0.764	74%	0.741	S	S	*	*			trans	95.4	101.3	150	-67.8	-155.6	169.1	0	0	123.2
1587	N	24.1	Very low	24.5	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	75%	0.751	S	S	*	*				66.3	139.2	115.4	-56.4	-4.5	0	0	0	123.3
1588	G	25.6	Very low	24.5	Very low	73 Å²	73	145.5 Å²	145.5	75%	0.753	76%	0.758	S	S	*	*			trans	102.4	91.2	162.3	0	0	0	0	0	113.5
1589	S	24.3	Very low	24.4	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	75%	0.753	S	S	*	*			cis	70.9	97.5	40.8	-160.4	0	0	0	0	112.8
1590	L	22.8	Very low	24.5	Very low	159 Å²	159	141.3 Å²	141.3	83%	0.832	75%	0.747	S	S	*	*				86.4	106.6	74.1	-107.3	151.2	0	0	0	114.9
1591	L	26.2	Very low	24.7	Very low	154 Å²	154	141.4 Å²	141.4	81%	0.806	75%	0.748	S	S	*	*			trans	-154.1	132.9	160.1	-86.8	172.3	0	0	0	104
1592	L	22.1	Very low	24.6	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	75%	0.748	S	S	*	*				58.6	125.1	55.4	-68.3	168.9	0	0	0	111.7
1593	D	23.7	Very low	24.8	Very low	129 Å²	129	142.5 Å²	142.5	69%	0.69	75%	0.748	S	S	*	*			cis	-167	176.3	10.1	177	31.2	0	0	0	109.4
1594	K	24.6	Very low	24.9	Very low	158 Å²	158	143.1 Å²	143.1	69%	0.687	75%	0.747	S	S	*	*			trans	99.7	121.6	153.3	-56.2	-162.7	176.8	-168.3	0	122.9
1595	D	25.7	Very low	25	Very low	135 Å²	135	143.9 Å²	143.9	72%	0.722	75%	0.748	S	S	*	*			trans	58.4	111.2	132	-59.2	-38.9	0	0	0	120.9
1596	N	29.1	Very low	24.9	Very low	168 Å²	168	145.5 Å²	145.5	90%	0.898	74%	0.744	S	S	*	*				-157.4	170.2	109.5	-112.8	-60.6	0	0	0	115
1597	K	24.3	Very low	25.4	Very low	171 Å²	171	143.4 Å²	143.4	74%	0.743	75%	0.745	S	S	*	*			trans	-133.3	160.5	-171.8	-120.6	174.2	-177.5	171.2	0	110.3
1598	W	23.7	Very low	25.5	Very low	220 Å²	220	141.6 Å²	141.6	83%	0.833	74%	0.741	S	S	*	*			trans	72.3	151.4	161.4	-64.5	2.7	0	0	0	117.5
1599	M	22.2	Very low	25.6	Very low	131 Å²	131	144.3 Å²	144.3	65%	0.645	74%	0.743	S	S	*	*			cis	-167.2	157.6	-26.8	-116.6	162.1	68.4	0	0	110.6
1600	N	24	Very low	25.8	Very low	113 Å²	113	148.4 Å²	148.4	60%	0.604	75%	0.749	S	S	*	*			trans	63.1	103.4	150.6	-64.2	4.9	0	0	0	122.5
1601	N	24.8	Very low	26	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	75%	0.745	S	S	*	*				69.5	151.4	115.6	-60.5	1.5	0	0	0	124.1
1602	M	23.5	Very low	26.1	Very low	163 Å²	163	148 Å²	148	80%	0.803	75%	0.751	S	S	*	*			trans	79	132.4	161.9	-60.4	-165.9	152.6	0	0	118.8
1603	D	27.2	Very low	26.5	Very low	125 Å²	125	143.9 Å²	143.9	67%	0.668	73%	0.734	S	S	*	*			cis	-160.8	171.9	-18.6	-116.2	-16.7	0	0	0	113.7
1604	E	26.8	Very low	27.2	Very low	157 Å²	157	143.1 Å²	143.1	73%	0.734	73%	0.73	S	S	*	*			trans	-1.1	151.1	162.4	-48	-167.2	130.1	0	0	122.3
1605	E	26.9	Very low	27.7	Very low	152 Å²	152	143.6 Å²	143.6	71%	0.71	73%	0.732	S	S	*	*				-152.3	115.4	102.9	-87.4	-138.8	170.1	0	0	114.2
1606	K	26.2	Very low	28	Very low	144 Å²	144	138.8 Å²	138.8	63%	0.626	71%	0.708	S	S	*	*			trans	65	102.3	136.5	-61.7	175.8	-163.8	147.3	0	121.1
1607	S	35.2	Very low	28.5	Very low	112 Å²	112	134 Å²	134	78%	0.783	68%	0.682	S	S	*	*			trans	-59.9	173.6	135.7	60.1	0	0	0	0	112.2
1608	P	27.2	Very low	29.5	Very low	110 Å²	110	131.7 Å²	131.7	71%	0.714	68%	0.676	S	S	*	*			trans	-142.6	172.2	138.2	40.2	-28.4	0	0	0	115.9
1609	T	27.7	Very low	30	Very low	130 Å²	130	125.3 Å²	125.3	80%	0.798	67%	0.67	S	S	*	*			trans	74.1	70.7	165.7	58.7	0	0	0	0	118.4
1610	H	28	Very low	31.3	Very low	196 Å²	196	121.9 Å²	121.9	91%	0.907	66%	0.656	S	S	*	*			trans	-46.1	143.6	135.5	-80.8	-104.4	0	0	0	110.8
1611	S	27.2	Very low	32.9	Very low	107 Å²	107	118 Å²	118	75%	0.748	64%	0.635	S	S	*	*			trans	-134.5	101.4	156.3	47.9	0	0	0	0	111.3	S1613	S1611-S1613 PolarHBondContact O-N 2.77Å
1612	E	27.4	Very low	35.1	Very low	197 Å²	197	116.4 Å²	116.4	92%	0.921	62%	0.618	S	S	*	*	S	Bend		37.3	50.6	125.9	-55.3	-167.6	135.5	0	0	119.8
1613	S	31.9	Very low	37.7	Very low	59 Å²	59	112.7 Å²	112.7	41%	0.413	60%	0.601	S	S	.	*			trans	-163.1	104.7	130.3	33	0	0	0	0	113.5	S1611	S1611-S1613 PolarHBondContact O-N 2.77Å
1614	L	38.2	Very low	40.2	Very low	114 Å²	114	107 Å²	107	60%	0.597	57%	0.571	S	S	*	*			trans	-85.3	7.7	160.3	-98.1	144.3	0	0	0	112.6	T1835	L1614-T1835 HydrophobicContact CD1-CG2 3.75Å
1615	K	34.4	Very low	42.5	Very low	167 Å²	167	102.8 Å²	102.8	73%	0.726	56%	0.555	S	S	*	*	S	Bend	trans	-78.4	150.7	161.1	-71.3	-175.9	178	179.9	0	109.2	N1617	K1615-N1617 PolarHBondContact O-N 3.07Å
1616	P	32.2	Very low	44.9	Very low	34 Å²	34	99.5 Å²	99.5	22%	0.221	54%	0.54	C	S	.	.			trans	-58.5	102.9	165.1	25	-34.3	0	0	0	110.2	M1618 K1735 A1738 T2168 T2169	P1616-M1618 WeakPolarHBondContact O-CG 3.27Å; P1616-M1618 PolarHBondContact O-N 3.05Å; P1616-M1618 VanDerWaalsContact O-N 3.1Å; P1616-K1735 HydrophobicContact CG-CB 4.3Å; P1616-K1735 HydrophobicContact CG-CG 4.38Å; P1616-A1738 HydrophobicContact CB-CB 4.49Å; P1616-T2168 VanDerWaalsContact CA-C 3.42Å; P1616-T2168 VanDerWaalsContact CA-O 3.28Å; P1616-T2168 WeakPolarHBondContact CA-O 3.46Å; P1616-T2168 VanDerWaalsContact CB-C 3.41Å; P1616-T2168 VanDerWaalsContact CB-O 3.24Å; P1616-T2168 WeakPolarHBondContact CB-O 3.47Å; P1616-T2169 HydrophobicContact CB-CG2 3.87Å
1617	N	39.7	Very low	46.9	Very low	67 Å²	67	96.4 Å²	96.4	36%	0.358	54%	0.537	S	S	.	.			trans	-59.6	104	166.6	151.4	18.6	0	0	0	107.9	K1615 A1619 N2167 T2168 T2169	K1615-N1617 PolarHBondContact O-N 3.07Å; N1617-A1619 PolarHBondContact O-N 3.47Å; N1617-A1619 WeakPolarHBondContact OD1-CB 3.45Å; N1617-A1619 PolarHBondContact OD1-N 2.87Å; N1617-N2167 PolarHBondContact ND2-OD1 2.97Å; N1617-T2168 HydrophobicContact CB-CG2 3.82Å; N1617-T2168 VanDerWaalsContact N-CA 3.31Å; N1617-T2168 WeakPolarHBondContact O-CA 3.37Å; N1617-T2168 VanDerWaalsContact O-CB 3.3Å; N1617-T2168 WeakPolarHBondContact O-CB 3.29Å; N1617-T2168 WeakPolarHBondContact O-CG2 3.5Å; N1617-T2169 PolarHBondContact O-OG1 3.23Å
1618	M	44.6	Very low	48.9	Very low	124 Å²	124	92.1 Å²	92.1	61%	0.611	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77	13.1	-161.1	-57.5	-142.6	-78.2	0	0	116.7	P1616 T1620 L1621 T2169	P1616-M1618 WeakPolarHBondContact O-CG 3.27Å; P1616-M1618 PolarHBondContact O-N 3.05Å; P1616-M1618 VanDerWaalsContact O-N 3.1Å; M1618-T1620 VanDerWaalsContact C-N 3.31Å; M1618-T1620 PolarHBondContact O-N 3.42Å; M1618-L1621 PolarHBondContact O-N 2.88Å; M1618-T2169 VanDerWaalsContact C-OG1 3.32Å; M1618-T2169 VanDerWaalsContact CA-CG2 3.49Å; M1618-T2169 VanDerWaalsContact CA-OG1 3.32Å; M1618-T2169 WeakPolarHBondContact CA-OG1 3.22Å; M1618-T2169 HydrophobicContact CB-CG2 3.77Å; M1618-T2169 HydrophobicContact CG-CG2 3.53Å; M1618-T2169 HydrophobicContact SD-CG2 3.97Å
1619	A	35.7	Very low	51.4	Low	85 Å²	85	87.8 Å²	87.8	70%	0.702	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-68.7	-20.1	-177.1	0	0	0	0	0	115.2	N1617	N1617-A1619 PolarHBondContact O-N 3.47Å; N1617-A1619 WeakPolarHBondContact OD1-CB 3.45Å; N1617-A1619 PolarHBondContact OD1-N 2.87Å
1620	T	47.8	Very low	53.6	Low	60 Å²	60	83.7 Å²	83.7	37%	0.368	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-109.7	6.8	-179.9	51.6	0	0	0	0	113.4	M1618 R1622 T2168 T2169 A2170	M1618-T1620 VanDerWaalsContact C-N 3.31Å; M1618-T1620 PolarHBondContact O-N 3.42Å; T1620-R1622 VanDerWaalsContact C-N 3.32Å; T1620-R1622 PolarHBondContact O-N 3.32Å; T1620-T2168 HydrophobicContact CG2-CG2 4.32Å; T1620-T2168 WeakPolarHBondContact OG1-CB 3.34Å; T1620-T2168 WeakPolarHBondContact OG1-CG2 3Å; T1620-T2169 PolarHBondContact N-OG1 2.72Å; T1620-T2169 VanDerWaalsContact N-OG1 3.15Å; T1620-T2169 PolarHBondContact OG1-O 3.44Å; T1620-T2169 PolarHBondContact OG1-OG1 2.81Å; T1620-A2170 HydrophobicContact CG2-CB 4.26Å; T1620-A2170 PolarHBondContact O-N 2.99Å; T1620-A2170 WeakPolarHBondContact OG1-CA 3.44Å; T1620-A2170 WeakPolarHBondContact OG1-CB 3.06Å; T1620-A2170 PolarHBondContact OG1-N 2.85Å
1621	L	57.8	Low	56	Low	31 Å²	31	77.3 Å²	77.3	16%	0.162	42%	0.416	C	S	.	.			trans	-75.9	88.3	164.3	-154.1	103.4	0	0	0	108	M1618 I1623 F1748 L1751 T2169	M1618-L1621 PolarHBondContact O-N 2.88Å; L1621-I1623 HydrophobicContact CD2-CG1 4.14Å; L1621-I1623 PolarHBondContact O-N 3.1Å; L1621-F1748 HydrophobicContact CD1-CZ 3.86Å; L1621-L1751 HydrophobicContact CD2-CB 4.15Å; L1621-L1751 HydrophobicContact CD2-CD2 3.84Å; L1621-L1751 HydrophobicContact CG-CB 4.42Å; L1621-T2169 HydrophobicContact CB-CG2 3.74Å; L1621-T2169 HydrophobicContact CD1-CG2 3.69Å; L1621-T2169 HydrophobicContact CG-CG2 4.34Å; L1621-T2169 PolarHBondContact N-OG1 3.33Å
1622	R	70.9	Confident	57.9	Low	110 Å²	110	72.3 Å²	72.3	42%	0.415	38%	0.381	S	S	.	.			trans	-72.7	101	-179.1	-157.3	167.6	177.6	-166.5	6	108.7	T1620 I1624 W1648 A1750 L1751	T1620-R1622 VanDerWaalsContact C-N 3.32Å; T1620-R1622 PolarHBondContact O-N 3.32Å; R1622-I1624 HydrophobicContact CG-CG2 4.26Å; R1622-W1648 HydrophobicContact CG-CZ2 4.34Å; R1622-A1750 HydrophobicContact CB-CB 4.33Å; R1622-A1750 CarbonylContact O-C 3.54Å; R1622-A1750 WeakPolarHBondContact O-CA 3.42Å; R1622-A1750 WeakPolarHBondContact O-CB 3.09Å; R1622-L1751 PolarHBondContact O-N 2.72Å
1623	I	77.8	Confident	59.4	Low	86 Å²	86	62.9 Å²	62.9	44%	0.441	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.9	171.6	-62.2	172	0	0	0	107.7	L1621 L1751 L1753	L1621-I1623 HydrophobicContact CD2-CG1 4.14Å; L1621-I1623 PolarHBondContact O-N 3.1Å; I1623-L1751 CarbonylContact C-O 3.45Å; I1623-L1751 VanDerWaalsContact CA-O 3.27Å; I1623-L1751 WeakPolarHBondContact CA-O 3.42Å; I1623-L1753 HydrophobicContact CD1-CD1 4.01Å; I1623-L1753 HydrophobicContact CG1-CD1 4.44Å; I1623-L1753 HydrophobicContact CG2-CD1 3.91Å; I1623-L1753 HydrophobicContact CG2-CG 4.05Å
1624	I	79.9	Confident	61.5	Low	6 Å²	6	61 Å²	61	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	165.1	178.6	69.6	168.8	0	0	0	111.2	R1622 E1628 L1629 W1648 A1750 L1751 C1752 I1760	R1622-I1624 HydrophobicContact CG-CG2 4.26Å; I1624-E1628 HydrophobicContact CB-CB 4.46Å; I1624-E1628 HydrophobicContact CD1-CB 4.43Å; I1624-L1629 HydrophobicContact CD1-CD1 4.02Å; I1624-L1629 HydrophobicContact CD1-CD2 3.72Å; I1624-L1629 HydrophobicContact CD1-CG 3.71Å; I1624-W1648 VanDerWaalsContact CD1-CD1 3.45Å; I1624-W1648 HydrophobicContact CD1-CG 4.14Å; I1624-W1648 HydrophobicContact CG2-CZ2 3.87Å; I1624-A1750 HydrophobicContact CB-CB 4.26Å; I1624-A1750 HydrophobicContact CD1-CB 3.69Å; I1624-A1750 HydrophobicContact CG1-CB 3.75Å; I1624-A1750 HydrophobicContact CG2-CB 3.6Å; I1624-L1751 PolarHBondContact N-O 3.47Å; I1624-C1752 HydrophobicContact CG1-CB 4.12Å; I1624-C1752 WeakPolarHBondContact O-CA 3.1Å; I1624-C1752 PolarHBondContact O-SG 2.82Å; I1624-C1752 VanDerWaalsContact O-SG 3.32Å; I1624-I1760 HydrophobicContact CD1-CG1 3.98Å; I1624-I1760 HydrophobicContact CG1-CG1 4.46Å
1625	T	76.8	Confident	63	Low	67 Å²	67	55.7 Å²	55.7	41%	0.411	29%	0.294	S	S	.	.			trans	-97.2	158.7	177.1	65.9	0	0	0	0	112.2	S1627 E1628	T1625-S1627 PolarHBondContact O-N 2.76Å; T1625-S1627 VanDerWaalsContact O-N 3.13Å; T1625-S1627 PolarHBondContact OG1-OG 2.85Å; T1625-E1628 PolarHBondContact N-OE1 3.12Å; T1625-E1628 WeakPolarHBondContact O-CB 3.23Å; T1625-E1628 PolarHBondContact O-N 3.16Å; T1625-E1628 PolarHBondContact OG1-OE1 3.46Å
1626	E	75.9	Confident	64.6	Low	83 Å²	83	49 Å²	49	39%	0.388	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27	173	-154.1	147.5	-141	0	0	111.3	E1628 L1629 R1631 C1752 T1754 Q1758	E1626-E1628 PolarHBondContact O-N 2.59Å; E1626-L1629 PolarHBondContact O-N 3.35Å; E1626-L1629 VanDerWaalsContact O-O 3.14Å; E1626-R1631 IonicContact OE1-CZ 2.72Å; E1626-R1631 IonicContact OE1-NH2 3.97Å; E1626-R1631 PolarHBondContact OE1-NH2 2.63Å; E1626-C1752 PolarHBondContact N-SG 3.05Å; E1626-T1754 HydrophobicContact CB-CG2 3.78Å; E1626-T1754 HydrophobicContact CG-CG2 4.22Å; E1626-T1754 WeakPolarHBondContact OE2-CG2 3.4Å; E1626-Q1758 PolarHBondContact OE1-NE2 3.47Å
1627	S	69	Low	66.3	Low	79 Å²	79	50.6 Å²	50.6	55%	0.552	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-72.7	0.2	175	80.8	0	0	0	0	115.2	T1625 K1651	T1625-S1627 PolarHBondContact O-N 2.76Å; T1625-S1627 VanDerWaalsContact O-N 3.13Å; T1625-S1627 PolarHBondContact OG1-OG 2.85Å; S1627-K1651 WeakPolarHBondContact O-CE 3.37Å; S1627-K1651 PolarHBondContact O-NZ 3.11Å; S1627-K1651 PolarHBondContact OG-NZ 2.87Å
1628	E	76.5	Confident	67.1	Low	23 Å²	23	49 Å²	49	11%	0.107	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-106.1	-0.3	167.7	-68.6	170.4	-113	0	0	112.1	I1624 T1625 E1626 C1649 K1651	I1624-E1628 HydrophobicContact CB-CB 4.46Å; I1624-E1628 HydrophobicContact CD1-CB 4.43Å; T1625-E1628 PolarHBondContact N-OE1 3.12Å; T1625-E1628 WeakPolarHBondContact O-CB 3.23Å; T1625-E1628 PolarHBondContact O-N 3.16Å; T1625-E1628 PolarHBondContact OG1-OE1 3.46Å; E1626-E1628 PolarHBondContact O-N 2.59Å; E1628-C1649 PolarHBondContact O-N 3.24Å; E1628-K1651 HydrophobicContact CG-CB 4.11Å; E1628-K1651 HydrophobicContact CG-CD 3.73Å; E1628-K1651 HydrophobicContact CG-CG 3.81Å; E1628-K1651 PolarHBondContact OE2-N 3.06Å
1629	L	79.2	Confident	67.6	Low	18 Å²	18	44.8 Å²	44.8	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.2	-177.8	-70.8	171.8	0	0	0	111	I1624 E1626 V1647 W1648 V1713 I1715 C1752 I1760	I1624-L1629 HydrophobicContact CD1-CD1 4.02Å; I1624-L1629 HydrophobicContact CD1-CD2 3.72Å; I1624-L1629 HydrophobicContact CD1-CG 3.71Å; E1626-L1629 PolarHBondContact O-N 3.35Å; E1626-L1629 VanDerWaalsContact O-O 3.14Å; L1629-V1647 WeakPolarHBondContact CA-O 3.37Å; L1629-W1648 HydrophobicContact CD2-CB 4.07Å; L1629-W1648 HydrophobicContact CD2-CG 4.47Å; L1629-V1713 HydrophobicContact CD2-CG2 4.41Å; L1629-I1715 HydrophobicContact CB-CD1 4.47Å; L1629-I1715 HydrophobicContact CD1-CG2 4.06Å; L1629-I1715 HydrophobicContact CD2-CD1 4.01Å; L1629-I1715 HydrophobicContact CD2-CG1 4.16Å; L1629-C1752 HydrophobicContact CD1-CB 3.82Å; L1629-I1760 HydrophobicContact CD1-CD1 3.49Å; L1629-I1760 VanDerWaalsContact CD1-CD1 3.49Å; L1629-I1760 HydrophobicContact CD1-CG1 4.26Å; L1629-I1760 HydrophobicContact CD2-CD1 4.02Å; L1629-I1760 HydrophobicContact CD2-CG1 4.34Å; L1629-I1760 HydrophobicContact CD2-CG2 3.99Å; L1629-I1760 HydrophobicContact CG-CD1 4.4Å
1630	I	75.2	Confident	68.8	Low	45 Å²	45	41.4 Å²	41.4	23%	0.231	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	99.8	172.3	-69.3	-179.3	0	0	0	105.6	G1632 G1646 V1647 S1984	I1630-G1632 PolarHBondContact O-N 2.85Å; I1630-G1646 WeakPolarHBondContact O-CA 3.4Å; I1630-V1647 HydrophobicContact CB-CB 3.8Å; I1630-V1647 HydrophobicContact CB-CG2 3.6Å; I1630-V1647 HydrophobicContact CD1-CG2 4.27Å; I1630-V1647 HydrophobicContact CG1-CG2 4.46Å; I1630-V1647 HydrophobicContact CG2-CB 4.29Å; I1630-V1647 HydrophobicContact CG2-CG2 3.51Å; I1630-V1647 PolarHBondContact N-O 2.81Å; I1630-V1647 PolarHBondContact O-N 2.94Å; I1630-S1984 VanDerWaalsContact C-CB 3.47Å; I1630-S1984 WeakPolarHBondContact CA-OG 3.03Å; I1630-S1984 WeakPolarHBondContact CG2-O 3.39Å; I1630-S1984 WeakPolarHBondContact CG2-OG 3.21Å
1631	R	77.8	Confident	69.8	Low	61 Å²	61	39.2 Å²	39.2	23%	0.23	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	99.3	-170	-173.8	175.5	-81.8	161.8	14.1	112.8	E1626 Y1644 Q1758 I1983 S1984	E1626-R1631 IonicContact OE1-CZ 2.72Å; E1626-R1631 IonicContact OE1-NH2 3.97Å; E1626-R1631 PolarHBondContact OE1-NH2 2.63Å; R1631-Y1644 VanDerWaalsContact CD-CD2 3.4Å; R1631-Y1644 HydrophobicContact CG-CD1 3.52Å; R1631-Y1644 HydrophobicContact CG-CD2 3.78Å; R1631-Y1644 HydrophobicContact CG-CE1 4.35Å; R1631-Y1644 HydrophobicContact CG-CG 3.18Å; R1631-Q1758 VanDerWaalsContact NH2-NE2 3.15Å; R1631-I1983 CarbonylContact O-C 3.52Å; R1631-S1984 VanDerWaalsContact C-CB 3.42Å; R1631-S1984 PolarHBondContact N-OG 2.76Å; R1631-S1984 VanDerWaalsContact N-OG 3.13Å; R1631-S1984 WeakPolarHBondContact O-CB 3.45Å; R1631-S1984 PolarHBondContact O-N 3.43Å
1632	G	66.3	Low	70.7	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	23%	0.233	C	C	.	.			trans	-83.1	-153.6	177.3	0	0	0	0	0	115.6	I1630 Y1644 C1645 D1980	I1630-G1632 PolarHBondContact O-N 2.85Å; G1632-Y1644 WeakPolarHBondContact O-CB 3.2Å; G1632-Y1644 VanDerWaalsContact O-CD1 3.29Å; G1632-Y1644 WeakPolarHBondContact O-CD1 3.49Å; G1632-C1645 CarbonylContact C-O 3.47Å; G1632-C1645 WeakPolarHBondContact CA-O 3.43Å; G1632-C1645 PolarHBondContact N-O 3.08Å; G1632-D1980 CarbonylContact C-O 3.55Å; G1632-D1980 WeakPolarHBondContact CA-O 3.41Å
1633	P	59.1	Low	71.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.213	C	C	.	.			trans	-71.3	-172.5	-158.2	13.3	-17.7	0	0	0	118.4	Y1644 C1645 S1976 C1977 D1980 T1981 R2178	P1633-Y1644 WeakPolarHBondContact O-CA 3.19Å; P1633-C1645 WeakPolarHBondContact CD-SG 3.45Å; P1633-C1645 VanDerWaalsContact CG-SG 3.58Å; P1633-C1645 PolarHBondContact O-N 3.04Å; P1633-S1976 WeakPolarHBondContact CB-O 3.46Å; P1633-C1977 VanDerWaalsContact CG-C 3.48Å; P1633-C1977 WeakPolarHBondContact CG-O 3.38Å; P1633-D1980 VanDerWaalsContact CA-CB 3.45Å; P1633-D1980 WeakPolarHBondContact CA-OD1 3.07Å; P1633-D1980 HydrophobicContact CB-CB 4.33Å; P1633-T1981 HydrophobicContact CG-CG2 3.98Å; P1633-R2178 VanDerWaalsContact C-NH1 3.3Å; P1633-R2178 VanDerWaalsContact C-NH2 3.26Å; P1633-R2178 VanDerWaalsContact CB-NH2 3.33Å; P1633-R2178 WeakPolarHBondContact O-CD 3.45Å; P1633-R2178 PolarHBondContact O-NE 2.82Å; P1633-R2178 PolarHBondContact O-NH1 3.4Å
1634	L	76.3	Confident	71.5	Confident	19 Å²	19	32.4 Å²	32.4	10%	0.099	20%	0.2	C	C	.	.			trans	-112.5	137.4	174.3	-103.2	43	0	0	0	113.5	T1642 V1643 Y1644 S1976 D1980 R2178 F2179 Q2180	L1634-T1642 HydrophobicContact CD1-CG2 4.2Å; L1634-T1642 HydrophobicContact CG-CG2 4.48Å; L1634-V1643 WeakPolarHBondContact CD1-O 3.33Å; L1634-Y1644 HydrophobicContact CD1-CD1 3.37Å; L1634-Y1644 HydrophobicContact CD1-CE1 3.14Å; L1634-Y1644 HydrophobicContact CD1-CG 4.26Å; L1634-S1976 PolarHBondContact N-O 3.22Å; L1634-S1976 CarbonylContact O-C 3.26Å; L1634-S1976 WeakPolarHBondContact O-CA 3.36Å; L1634-S1976 WeakPolarHBondContact O-CB 3.47Å; L1634-S1976 PolarHBondContact O-OG 3.23Å; L1634-D1980 WeakPolarHBondContact CD1-OD2 3.35Å; L1634-D1980 WeakPolarHBondContact CD2-OD2 3.44Å; L1634-D1980 PolarHBondContact N-OD1 2.86Å; L1634-R2178 VanDerWaalsContact CA-CB 3.43Å; L1634-R2178 VanDerWaalsContact CA-CD 3.45Å; L1634-R2178 VanDerWaalsContact CA-CZ 3.47Å; L1634-R2178 HydrophobicContact CB-CB 3.81Å; L1634-R2178 HydrophobicContact CD1-CB 3.59Å; L1634-R2178 HydrophobicContact CD1-CG 4.49Å; L1634-R2178 HydrophobicContact CG-CB 3.46Å; L1634-R2178 VanDerWaalsContact CG-CB 3.46Å; L1634-R2178 VanDerWaalsContact N-NH2 3.16Å; L1634-R2178 PolarHBondContact O-NE 2.66Å; L1634-R2178 PolarHBondContact O-NH2 3.21Å; L1634-F2179 HydrophobicContact CB-CB 3.87Å; L1634-F2179 HydrophobicContact CB-CD2 4.07Å; L1634-F2179 HydrophobicContact CB-CG 4.37Å; L1634-F2179 HydrophobicContact CD2-CB 3.42Å; L1634-F2179 VanDerWaalsContact CD2-CB 3.42Å; L1634-F2179 HydrophobicContact CD2-CD1 4.21Å; L1634-F2179 HydrophobicContact CD2-CD2 3.59Å; L1634-F2179 HydrophobicContact CD2-CE2 4.38Å; L1634-F2179 HydrophobicContact CD2-CG 3.48Å; L1634-F2179 VanDerWaalsContact CD2-CG 3.48Å; L1634-F2179 HydrophobicContact CG-CB 3.39Å; L1634-F2179 HydrophobicContact CG-CD2 4.15Å; L1634-F2179 HydrophobicContact CG-CG 4Å; L1634-Q2180 PolarHBondContact O-OE1 3.04Å
1635	I	70.8	Confident	71.6	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	20%	0.2	C	C	.	.			trans	-137.5	-76.4	-155.1	66.5	-138.7	0	0	0	119	Y1763 F1973 S1976 C1977 Y2176 R2178 Q2180	I1635-Y1763 HydrophobicContact CD1-CE2 4.13Å; I1635-F1973 HydrophobicContact CB-CE2 3.91Å; I1635-F1973 HydrophobicContact CB-CZ 4.36Å; I1635-F1973 HydrophobicContact CG2-CE2 3.96Å; I1635-F1973 HydrophobicContact CG2-CZ 3.95Å; I1635-F1973 WeakPolarHBondContact O-CD2 3.4Å; I1635-F1973 WeakPolarHBondContact O-CE2 3.33Å; I1635-S1976 VanDerWaalsContact CA-OG 3.3Å; I1635-S1976 WeakPolarHBondContact CA-OG 3.44Å; I1635-C1977 WeakPolarHBondContact CG2-SG 3.43Å; I1635-Y2176 HydrophobicContact CD1-CD1 3.48Å; I1635-Y2176 VanDerWaalsContact CD1-CD1 3.48Å; I1635-Y2176 HydrophobicContact CD1-CE1 3.85Å; I1635-Y2176 HydrophobicContact CD1-CG 4.01Å; I1635-Y2176 HydrophobicContact CG1-CD1 4.13Å; I1635-R2178 CarbonylContact C-O 3.46Å; I1635-R2178 VanDerWaalsContact CA-NE 3.28Å; I1635-R2178 VanDerWaalsContact CA-O 3.26Å; I1635-R2178 WeakPolarHBondContact CA-O 3.08Å; I1635-R2178 HydrophobicContact CB-CG 4.24Å; I1635-R2178 HydrophobicContact CD1-CG 4.17Å; I1635-R2178 VanDerWaalsContact CD1-NE 3.31Å; I1635-R2178 HydrophobicContact CG1-CG 3.76Å; I1635-R2178 PolarHBondContact N-O 3.19Å; I1635-Q2180 WeakPolarHBondContact O-CB 3.4Å; I1635-Q2180 WeakPolarHBondContact O-CG 3.45Å
1636	G	68	Low	71.8	Confident	28 Å²	28	29.4 Å²	29.4	29%	0.289	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-142.9	132.9	163.9	0	0	0	0	0	110	I2177 R2178 Q2180	G1636-I2177 CarbonylContact O-C 3.21Å; G1636-I2177 VanDerWaalsContact O-C 3.28Å; G1636-I2177 WeakPolarHBondContact O-CA 3.44Å; G1636-I2177 PolarHBondContact O-N 3.42Å; G1636-I2177 VanDerWaalsContact O-N 3.15Å; G1636-R2178 VanDerWaalsContact C-C 3.42Å; G1636-R2178 CarbonylContact C-O 3.27Å; G1636-R2178 WeakPolarHBondContact CA-O 3.47Å; G1636-R2178 PolarHBondContact N-O 3.28Å; G1636-R2178 CarbonylContact O-C 3.57Å; G1636-R2178 PolarHBondContact O-N 2.92Å; G1636-Q2180 CarbonylContact C-O 3.46Å
1637	S	66.5	Low	72	Confident	66 Å²	66	26 Å²	26	46%	0.462	17%	0.168	S	C	.	.			trans	-97.1	157.3	-175.5	59.6	0	0	0	0	114.5	I2177 R2178 F2179 Q2180	S1637-I2177 VanDerWaalsContact CA-O 3.31Å; S1637-I2177 WeakPolarHBondContact CA-O 3.48Å; S1637-I2177 VanDerWaalsContact CB-O 3.24Å; S1637-I2177 WeakPolarHBondContact CB-O 3.3Å; S1637-R2178 PolarHBondContact N-O 3.36Å; S1637-F2179 PolarHBondContact OG-O 3Å; S1637-Q2180 WeakPolarHBondContact CB-O 3.49Å; S1637-Q2180 PolarHBondContact N-O 3.26Å; S1637-Q2180 PolarHBondContact OG-O 3.38Å
1638	G	57.8	Low	72.6	Confident	35 Å²	35	22.5 Å²	22.5	36%	0.361	14%	0.143	S	C	.	.			trans	-147.7	-167.4	-170.6	0	0	0	0	0	114.3	F1640 I2177	G1638-F1640 VanDerWaalsContact C-N 3.26Å; G1638-F1640 PolarHBondContact O-N 2.98Å; G1638-I2177 VanDerWaalsContact CA-CD1 3.44Å; G1638-I2177 WeakPolarHBondContact O-CD1 3.1Å
1639	A	54.1	Low	72.6	Confident	35 Å²	35	22.4 Å²	22.4	29%	0.289	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.1	-164.2	0	0	0	0	0	116.9	R1846	A1639-R1846 PolarHBondContact O-NH1 3.46Å
1640	F	61.7	Low	71.8	Confident	13 Å²	13	21.9 Å²	21.9	6%	0.057	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.2	12.8	-164.4	-59.5	-77.6	0	0	0	117.1	G1638 T1726 E1729 G1828 L1829 I2177	G1638-F1640 VanDerWaalsContact C-N 3.26Å; G1638-F1640 PolarHBondContact O-N 2.98Å; F1640-T1726 HydrophobicContact CD1-CG2 4.32Å; F1640-E1729 HydrophobicContact CE1-CB 4.3Å; F1640-G1828 WeakPolarHBondContact CE2-O 3.26Å; F1640-G1828 WeakPolarHBondContact CZ-O 3.31Å; F1640-L1829 HydrophobicContact CZ-CD2 4.2Å; F1640-I2177 HydrophobicContact CB-CD1 4.05Å
1641	G	67.9	Low	70.8	Confident	15 Å²	15	24.8 Å²	24.8	16%	0.155	15%	0.153	C	C	.	.			trans	155.1	-134.7	171.3	0	0	0	0	0	118.3	V1717 I2177	G1641-V1717 CarbonylContact C-O 3.59Å; G1641-V1717 WeakPolarHBondContact CA-O 3.41Å; G1641-I2177 WeakPolarHBondContact O-CG2 3.33Å
1642	T	77.3	Confident	69.1	Low	41 Å²	41	26.4 Å²	26.4	25%	0.252	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126.8	172.2	-48.6	0	0	0	0	111.7	L1634 Y1644 V1717 I2177 R2178	L1634-T1642 HydrophobicContact CD1-CG2 4.2Å; L1634-T1642 HydrophobicContact CG-CG2 4.48Å; T1642-Y1644 HydrophobicContact CG2-CE2 4.33Å; T1642-V1717 CarbonylContact C-O 3.57Å; T1642-V1717 PolarHBondContact N-O 2.87Å; T1642-V1717 CarbonylContact O-C 3.32Å; T1642-V1717 WeakPolarHBondContact O-CA 3.47Å; T1642-V1717 WeakPolarHBondContact O-CB 3.34Å; T1642-V1717 WeakPolarHBondContact O-CG2 3.46Å; T1642-V1717 PolarHBondContact O-N 3.27Å; T1642-I2177 VanDerWaalsContact CA-CG2 3.44Å; T1642-I2177 WeakPolarHBondContact CA-O 3.31Å; T1642-R2178 HydrophobicContact CG2-CB 4.29Å
1643	V	82.5	Confident	67.6	Low	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	164.5	-174.8	151	0	0	0	0	111.1	L1634 A1714 I1715 K1716 N2175 I2177 R2178	L1634-V1643 WeakPolarHBondContact CD1-O 3.33Å; V1643-A1714 HydrophobicContact CG1-CB 3.76Å; V1643-I1715 CarbonylContact C-O 3.58Å; V1643-I1715 WeakPolarHBondContact CA-O 3.49Å; V1643-K1716 HydrophobicContact CG2-CB 3.31Å; V1643-K1716 HydrophobicContact CG2-CD 4.5Å; V1643-K1716 HydrophobicContact CG2-CG 3.77Å; V1643-N2175 VanDerWaalsContact CG2-O 3.3Å; V1643-N2175 WeakPolarHBondContact CG2-O 3.47Å; V1643-I2177 HydrophobicContact CB-CB 4.08Å; V1643-I2177 HydrophobicContact CB-CG2 4.24Å; V1643-I2177 HydrophobicContact CG2-CB 3.46Å; V1643-I2177 VanDerWaalsContact CG2-CB 3.46Å; V1643-I2177 HydrophobicContact CG2-CG2 3.66Å; V1643-R2178 HydrophobicContact CB-CB 4.38Å; V1643-R2178 HydrophobicContact CB-CG 3.71Å; V1643-R2178 HydrophobicContact CG1-CG 3.69Å; V1643-R2178 WeakPolarHBondContact O-CB 3.35Å; V1643-R2178 WeakPolarHBondContact O-CD 3.36Å; V1643-R2178 WeakPolarHBondContact O-CG 3.3Å
1644	Y	83.3	Confident	66.1	Low	43 Å²	43	36.1 Å²	36.1	17%	0.169	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142	164.7	-59.2	-92.9	0	0	0	108.3	R1631 G1632 P1633 L1634 T1642 A1714 I1715 V1717	R1631-Y1644 VanDerWaalsContact CD-CD2 3.4Å; R1631-Y1644 HydrophobicContact CG-CD1 3.52Å; R1631-Y1644 HydrophobicContact CG-CD2 3.78Å; R1631-Y1644 HydrophobicContact CG-CE1 4.35Å; R1631-Y1644 HydrophobicContact CG-CG 3.18Å; G1632-Y1644 WeakPolarHBondContact O-CB 3.2Å; G1632-Y1644 VanDerWaalsContact O-CD1 3.29Å; G1632-Y1644 WeakPolarHBondContact O-CD1 3.49Å; P1633-Y1644 WeakPolarHBondContact O-CA 3.19Å; L1634-Y1644 HydrophobicContact CD1-CD1 3.37Å; L1634-Y1644 HydrophobicContact CD1-CE1 3.14Å; L1634-Y1644 HydrophobicContact CD1-CG 4.26Å; T1642-Y1644 HydrophobicContact CG2-CE2 4.33Å; Y1644-A1714 CarbonylContact O-C 3.59Å; Y1644-A1714 WeakPolarHBondContact O-CA 3.49Å; Y1644-I1715 PolarHBondContact N-O 2.81Å; Y1644-I1715 VanDerWaalsContact N-O 3.09Å; Y1644-I1715 VanDerWaalsContact O-CB 3.31Å; Y1644-I1715 WeakPolarHBondContact O-CB 3.5Å; Y1644-I1715 WeakPolarHBondContact O-CG1 3.36Å; Y1644-I1715 PolarHBondContact O-N 2.87Å; Y1644-V1717 HydrophobicContact CD2-CG2 3.74Å; Y1644-V1717 HydrophobicContact CE2-CB 4.47Å; Y1644-V1717 HydrophobicContact CE2-CG2 3.67Å
1645	C	81.3	Confident	63.8	Low	5 Å²	5	44.5 Å²	44.5	3%	0.034	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-175	160.1	88.9	0	0	0	0	107.3	G1632 P1633 V1713 A1714 Y1763 R2178	G1632-C1645 CarbonylContact C-O 3.47Å; G1632-C1645 WeakPolarHBondContact CA-O 3.43Å; G1632-C1645 PolarHBondContact N-O 3.08Å; P1633-C1645 WeakPolarHBondContact CD-SG 3.45Å; P1633-C1645 VanDerWaalsContact CG-SG 3.58Å; P1633-C1645 PolarHBondContact O-N 3.04Å; C1645-V1713 CarbonylContact C-O 3.36Å; C1645-V1713 VanDerWaalsContact C-O 3.22Å; C1645-V1713 WeakPolarHBondContact CA-O 3.33Å; C1645-V1713 WeakPolarHBondContact CB-O 3.48Å; C1645-A1714 HydrophobicContact CB-CB 4.11Å; C1645-Y1763 HydrophobicContact CB-CD1 3.97Å; C1645-Y1763 HydrophobicContact CB-CD2 3.77Å; C1645-Y1763 HydrophobicContact CB-CE1 3.77Å; C1645-Y1763 HydrophobicContact CB-CE2 3.6Å; C1645-Y1763 HydrophobicContact CB-CG 3.98Å; C1645-Y1763 WeakPolarHBondContact SG-CE1 3.27Å; C1645-Y1763 PolarHBondContact SG-OH 3.04Å; C1645-R2178 VanDerWaalsContact CA-NH1 3.26Å; C1645-R2178 PolarHBondContact SG-NH1 3.06Å
1646	G	80.8	Confident	61.6	Low	4 Å²	4	51 Å²	51	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.3	-147.6	174.1	0	0	0	0	0	111.9	I1630 P1712 V1713 Y2025	I1630-G1646 WeakPolarHBondContact O-CA 3.4Å; G1646-P1712 WeakPolarHBondContact O-CA 3.42Å; G1646-V1713 PolarHBondContact N-O 2.86Å; G1646-V1713 PolarHBondContact O-N 3.33Å; G1646-Y2025 PolarHBondContact O-OH 3.19Å
1647	V	80.8	Confident	59.5	Low	11 Å²	11	56 Å²	56	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.1	-178.7	-149.9	0	0	0	0	109.8	L1629 I1630 C1649 H1710 I1711 Y2025	L1629-V1647 WeakPolarHBondContact CA-O 3.37Å; I1630-V1647 HydrophobicContact CB-CB 3.8Å; I1630-V1647 HydrophobicContact CB-CG2 3.6Å; I1630-V1647 HydrophobicContact CD1-CG2 4.27Å; I1630-V1647 HydrophobicContact CG1-CG2 4.46Å; I1630-V1647 HydrophobicContact CG2-CB 4.29Å; I1630-V1647 HydrophobicContact CG2-CG2 3.51Å; I1630-V1647 PolarHBondContact N-O 2.81Å; I1630-V1647 PolarHBondContact O-N 2.94Å; V1647-C1649 VanDerWaalsContact CG1-SG 3.52Å; V1647-H1710 HydrophobicContact CG1-CB 3.47Å; V1647-H1710 VanDerWaalsContact CG1-CB 3.47Å; V1647-I1711 WeakPolarHBondContact CA-O 3.19Å; V1647-Y2025 HydrophobicContact CB-CE1 4.23Å; V1647-Y2025 HydrophobicContact CG1-CD1 4.1Å; V1647-Y2025 HydrophobicContact CG1-CD2 4.25Å; V1647-Y2025 HydrophobicContact CG1-CE1 3.63Å; V1647-Y2025 HydrophobicContact CG1-CE2 3.83Å; V1647-Y2025 HydrophobicContact CG1-CG 4.38Å; V1647-Y2025 VanDerWaalsContact CG1-CZ 3.49Å; V1647-Y2025 HydrophobicContact CG2-CE1 3.67Å; V1647-Y2025 WeakPolarHBondContact CG2-OH 3.25Å
1648	W	82.2	Confident	57.6	Low	7 Å²	7	59.5 Å²	59.5	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.8	151.4	173.8	35.9	0	0	0	108.2	R1622 I1624 L1629 P1650 H1710 I1711 V1713 L1749 A1750 I1760	R1622-W1648 HydrophobicContact CG-CZ2 4.34Å; I1624-W1648 VanDerWaalsContact CD1-CD1 3.45Å; I1624-W1648 HydrophobicContact CD1-CG 4.14Å; I1624-W1648 HydrophobicContact CG2-CZ2 3.87Å; L1629-W1648 HydrophobicContact CD2-CB 4.07Å; L1629-W1648 HydrophobicContact CD2-CG 4.47Å; W1648-P1650 HydrophobicContact CD2-CB 4.41Å; W1648-P1650 HydrophobicContact CD2-CG 4.38Å; W1648-P1650 HydrophobicContact CZ2-CB 3.92Å; W1648-P1650 WeakPolarHBondContact O-CD 3.39Å; W1648-H1710 CarbonylContact O-C 3.53Å; W1648-H1710 WeakPolarHBondContact O-CA 3.41Å; W1648-I1711 HydrophobicContact CE3-CB 4.42Å; W1648-I1711 HydrophobicContact CE3-CD1 3.8Å; W1648-I1711 HydrophobicContact CE3-CG1 4.49Å; W1648-I1711 HydrophobicContact CZ3-CD1 3.96Å; W1648-I1711 PolarHBondContact N-O 2.94Å; W1648-I1711 PolarHBondContact O-N 3.14Å; W1648-V1713 HydrophobicContact CB-CB 4.44Å; W1648-V1713 HydrophobicContact CB-CG1 3.58Å; W1648-V1713 HydrophobicContact CB-CG2 4.03Å; W1648-L1749 HydrophobicContact CE3-CB 3.86Å; W1648-L1749 HydrophobicContact CE3-CD1 4.25Å; W1648-L1749 HydrophobicContact CE3-CG 4.47Å; W1648-L1749 HydrophobicContact CH2-CB 4.42Å; W1648-L1749 HydrophobicContact CZ3-CB 3.63Å; W1648-L1749 HydrophobicContact CZ3-CD2 4.14Å; W1648-L1749 HydrophobicContact CZ3-CG 4.3Å; W1648-A1750 HydrophobicContact CH2-CB 4.35Å; W1648-A1750 HydrophobicContact CZ2-CB 4.08Å; W1648-I1760 HydrophobicContact CB-CG2 4.47Å
1649	C	74.8	Confident	56.1	Low	21 Å²	21	62.6 Å²	62.6	14%	0.142	33%	0.325	C	S	.	.			trans	-108.7	72.6	177.8	-52.8	0	0	0	0	108.1	E1628 V1647 K1651 L1709 H1710	E1628-C1649 PolarHBondContact O-N 3.24Å; V1647-C1649 VanDerWaalsContact CG1-SG 3.52Å; C1649-K1651 PolarHBondContact O-N 2.93Å; C1649-K1651 VanDerWaalsContact O-N 3.11Å; C1649-L1709 WeakPolarHBondContact CA-O 3.5Å; C1649-H1710 PolarHBondContact SG-CD2 2.93Å; C1649-H1710 VanDerWaalsContact SG-CE1 3.56Å; C1649-H1710 PolarHBondContact SG-NE2 3.5Å
1650	P	64	Low	54.7	Low	6 Å²	6	65.5 Å²	65.5	4%	0.039	33%	0.334	C	S	.	.			trans	-51.2	118.1	-178.6	19	-34.9	0	0	0	112	W1648 F1652 L1709 I1711	W1648-P1650 HydrophobicContact CD2-CB 4.41Å; W1648-P1650 HydrophobicContact CD2-CG 4.38Å; W1648-P1650 HydrophobicContact CZ2-CB 3.92Å; W1648-P1650 WeakPolarHBondContact O-CD 3.39Å; P1650-F1652 PolarHBondContact O-N 2.81Å; P1650-L1709 WeakPolarHBondContact CD-O 3.17Å; P1650-L1709 HydrophobicContact CG-CB 4.16Å; P1650-I1711 HydrophobicContact CG-CD1 4.46Å
1651	K	53	Low	53.1	Low	106 Å²	106	71.6 Å²	71.6	46%	0.461	37%	0.368	S	S	.	.			trans	-71.2	102.4	177.2	-80.7	169.9	-170.7	179.7	0	109.9	S1627 E1628 C1649 T1653	S1627-K1651 WeakPolarHBondContact O-CE 3.37Å; S1627-K1651 PolarHBondContact O-NZ 3.11Å; S1627-K1651 PolarHBondContact OG-NZ 2.87Å; E1628-K1651 HydrophobicContact CG-CB 4.11Å; E1628-K1651 HydrophobicContact CG-CD 3.73Å; E1628-K1651 HydrophobicContact CG-CG 3.81Å; E1628-K1651 PolarHBondContact OE2-N 3.06Å; C1649-K1651 PolarHBondContact O-N 2.93Å; C1649-K1651 VanDerWaalsContact O-N 3.11Å; K1651-T1653 PolarHBondContact O-N 2.89Å; K1651-T1653 PolarHBondContact O-OG1 3.47Å
1652	F	43.7	Very low	51.1	Low	95 Å²	95	77.9 Å²	77.9	42%	0.417	40%	0.398	S	S	.	.			trans	-66.2	77.2	170.6	-73	-73.1	0	0	0	111.2	P1650 R1654 Y1706 F1707 L1709	P1650-F1652 PolarHBondContact O-N 2.81Å; F1652-R1654 PolarHBondContact O-N 3.19Å; F1652-R1654 VanDerWaalsContact O-N 3.13Å; F1652-Y1706 HydrophobicContact CB-CD1 3.67Å; F1652-Y1706 HydrophobicContact CB-CE1 3.78Å; F1652-Y1706 HydrophobicContact CG-CD1 4.31Å; F1652-Y1706 HydrophobicContact CG-CE1 4.44Å; F1652-F1707 WeakPolarHBondContact CD2-O 3.47Å; F1652-F1707 VanDerWaalsContact CE2-O 3.25Å; F1652-F1707 WeakPolarHBondContact CE2-O 3.22Å; F1652-L1709 HydrophobicContact CE2-CB 3.57Å; F1652-L1709 HydrophobicContact CZ-CB 4.03Å; F1652-L1709 HydrophobicContact CZ-CD2 4.42Å
1653	T	33.6	Very low	48.6	Very low	122 Å²	122	83.2 Å²	83.2	75%	0.748	43%	0.425	S	S	*	.			trans	-64.9	112.7	169.2	-52.1	0	0	0	0	107.5	K1651 Q1655	K1651-T1653 PolarHBondContact O-N 2.89Å; K1651-T1653 PolarHBondContact O-OG1 3.47Å; T1653-Q1655 PolarHBondContact O-N 3.47Å
1654	R	27.3	Very low	46	Very low	84 Å²	84	89.9 Å²	89.9	32%	0.317	47%	0.466	S	S	.	.			trans	-47.1	115.8	171.5	-93.6	171.4	130.2	161	-4.3	110.1	F1652 K1656 D1704 Y1706	F1652-R1654 PolarHBondContact O-N 3.19Å; F1652-R1654 VanDerWaalsContact O-N 3.13Å; R1654-K1656 PolarHBondContact O-N 3.27Å; R1654-D1704 VanDerWaalsContact CZ-CG 3.48Å; R1654-D1704 IonicContact CZ-OD1 3.94Å; R1654-D1704 IonicContact CZ-OD2 2.79Å; R1654-D1704 IonicContact NE-OD1 2.99Å; R1654-D1704 IonicContact NH1-OD1 2.66Å; R1654-D1704 IonicContact NH1-OD2 3.78Å; R1654-D1704 PolarHBondContact NH1-OD2 3.1Å; R1654-D1704 IonicContact NH2-OD1 3.53Å; R1654-D1704 PolarHBondContact NH2-OD1 3.08Å; R1654-D1704 IonicContact NH2-OD2 3.64Å; R1654-D1704 PolarHBondContact NH2-OD2 3.13Å; R1654-Y1706 HydrophobicContact CG-CD2 4.34Å; R1654-Y1706 HydrophobicContact CG-CE2 3.39Å; R1654-Y1706 WeakPolarHBondContact CG-OH 3.29Å
1655	Q	27.5	Very low	43.2	Very low	195 Å²	195	98.5 Å²	98.5	91%	0.911	50%	0.5	S	S	*	.			trans	-73.2	69.7	152.7	-74.1	-169.5	-5.4	0	0	109.3	T1653	T1653-Q1655 PolarHBondContact O-N 3.47Å
1656	K	24.9	Very low	40.5	Very low	138 Å²	138	103.2 Å²	103.2	60%	0.6	53%	0.532	S	S	*	.			trans	-77.7	127.3	131.5	-71.1	-177	175.6	178	0	103.4	R1654	R1654-K1656 PolarHBondContact O-N 3.27Å
1657	L	24.6	Very low	37.8	Very low	135 Å²	135	108.7 Å²	108.7	71%	0.707	57%	0.565	S	S	*	*			cis	-146.9	165.3	45	-74.2	164.1	0	0	0	110.1
1658	D	25.5	Very low	35.2	Very low	138 Å²	138	115.6 Å²	115.6	74%	0.738	60%	0.6	S	S	*	*			cis	-134.5	146.3	14.5	-89.1	-62.3	0	0	0	112.7
1659	P	26.2	Very low	32.5	Very low	101 Å²	101	120.6 Å²	120.6	66%	0.656	63%	0.632	S	S	*	*			trans	-93.1	127.7	160.6	34.5	-28.4	0	0	0	111.9
1660	I	26.3	Very low	30.1	Very low	95 Å²	95	126.2 Å²	126.2	49%	0.487	66%	0.66	S	S	.	*			trans	176.4	130.6	162.8	-97	148.6	0	0	0	105.4	T2121	I1660-T2121 HydrophobicContact CG2-CG2 3.75Å
1661	N	28.2	Very low	28.3	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	68%	0.683	S	S	*	*			cis	-146.7	173.4	4.7	-122.4	4.6	0	0	0	112.5
1662	N	24.6	Very low	26.9	Very low	147 Å²	147	130.6 Å²	130.6	79%	0.786	70%	0.699	S	S	*	*			trans	-78	171.7	-179.3	-72.5	-26.6	0	0	0	115.5
1663	D	25.7	Very low	26.2	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	72%	0.717	S	S	*	*			trans	113.9	116.8	158.1	-65.2	-9.5	0	0	0	113.7
1664	T	28.5	Very low	25.7	Very low	140 Å²	140	133.8 Å²	133.8	86%	0.859	72%	0.719	S	S	*	*			cis	-150.3	177.9	22.2	39.1	0	0	0	0	113.8
1665	Y	23.4	Very low	25.8	Very low	224 Å²	224	135.2 Å²	135.2	88%	0.878	74%	0.739	S	S	*	*			trans	-94.1	148.6	-167.1	-106.3	-109.7	0	0	0	117.1
1666	S	24.4	Very low	25.8	Very low	103 Å²	103	132.3 Å²	132.3	72%	0.72	74%	0.735	S	S	*	*			trans	64.9	153.1	145.8	75.2	0	0	0	0	118.9
1667	T	25.1	Very low	25.7	Very low	120 Å²	120	130.4 Å²	130.4	74%	0.736	74%	0.739	S	S	*	*			cis	-144.1	-171	23.1	55.4	0	0	0	0	108.8
1668	I	26.5	Very low	25.7	Very low	155 Å²	155	131.2 Å²	131.2	80%	0.795	74%	0.744	S	S	*	*			cis	-155	-176.1	8.2	-150.8	161.8	0	0	0	110.3
1669	T	24.9	Very low	25.7	Very low	112 Å²	112	131 Å²	131	69%	0.687	75%	0.747	S	S	*	*			trans	-96.2	-166.3	179.4	63	0	0	0	0	112.8
1670	N	25.4	Very low	25.7	Very low	140 Å²	140	136.4 Å²	136.4	75%	0.749	76%	0.761	S	S	*	*			cis	-165.3	171.1	15.7	-127.7	18.4	0	0	0	106.3
1671	S	24.6	Very low	25.6	Very low	74 Å²	74	138.5 Å²	138.5	52%	0.517	77%	0.773	S	S	.	*			cis	178.6	163.4	-15.9	46.3	0	0	0	0	109.9
1672	T	23.9	Very low	25.4	Very low	129 Å²	129	136.1 Å²	136.1	79%	0.791	77%	0.768	S	S	*	*			trans	70.1	151.4	166.7	70.4	0	0	0	0	117
1673	I	28.9	Very low	25.4	Very low	157 Å²	157	138.7 Å²	138.7	81%	0.805	77%	0.772	S	S	*	*			cis	-130.4	178.1	22.5	-68.7	172	0	0	0	111.5
1674	T	24.5	Very low	25.5	Very low	128 Å²	128	141.1 Å²	141.1	79%	0.785	78%	0.775	S	S	*	*			trans	-106.5	-158.3	-161.2	62.8	0	0	0	0	114.7
1675	P	29.1	Very low	25.3	Very low	114 Å²	114	143.3 Å²	143.3	74%	0.74	77%	0.773	S	S	*	*				-136.1	171.8	-115	40	-18.3	0	0	0	118.3
1676	T	25.7	Very low	25.5	Very low	134 Å²	134	140.1 Å²	140.1	82%	0.822	77%	0.771	S	S	*	*			trans	-157.9	115.9	156.1	39.5	0	0	0	0	114.7
1677	S	22.9	Very low	25.5	Very low	98 Å²	98	143.8 Å²	143.8	69%	0.685	77%	0.769	S	S	*	*			trans	38.4	128.7	136.4	65.1	0	0	0	0	124.3
1678	N	25.2	Very low	25.6	Very low	151 Å²	151	144 Å²	144	81%	0.807	77%	0.766	S	S	*	*			trans	110.6	139.7	133.8	-68.5	-5.8	0	0	0	121.8
1679	V	26.6	Very low	25.8	Very low	133 Å²	133	147.1 Å²	147.1	81%	0.806	77%	0.774	S	S	*	*			trans	59.5	105.1	170.5	-160.1	0	0	0	0	117.8
1680	F	24.9	Very low	25.9	Very low	215 Å²	215	147.6 Å²	147.6	94%	0.943	77%	0.772	S	S	*	*			trans	-108.4	139.9	156.2	-107.4	-85.6	0	0	0	109.4
1681	N	24.7	Very low	26	Very low	139 Å²	139	146.4 Å²	146.4	74%	0.743	77%	0.77	S	S	*	*			trans	-147.1	111.4	170.5	-157.7	-4.9	0	0	0	113.1
1682	S	23.9	Very low	26.2	Very low	93 Å²	93	149.3 Å²	149.3	65%	0.65	78%	0.78	S	S	*	*			trans	74.4	144.4	163.5	86.9	0	0	0	0	121.3
1683	K	24.8	Very low	26.5	Very low	200 Å²	200	147 Å²	147	87%	0.87	78%	0.782	S	S	*	*			trans	82.4	138.9	156.9	-62.3	177.2	-176.4	177.2	0	120.3
1684	K	27.5	Very low	26.4	Very low	205 Å²	205	144.7 Å²	144.7	89%	0.891	78%	0.775	S	S	*	*			trans	59.4	98.2	175.8	-84.3	-171	170.9	-174	0	117.8
1685	F	25.1	Very low	26.5	Very low	186 Å²	186	147.2 Å²	147.2	82%	0.816	78%	0.778	S	S	*	*			trans	-75.5	122.3	146.2	-109.5	-86.5	0	0	0	109.5	W1687	F1685-W1687 AromaticContact CD1-CD1 3.96Å; F1685-W1687 AromaticContact CD1-NE1 3.56Å; F1685-W1687 HydrophobicContact CE1-CZ2 4.44Å; F1685-W1687 AromaticContact CE1-NE1 3.77Å
1686	D	27.2	Very low	26.4	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	78%	0.782	S	S	*	*			trans	-147.2	142	154.4	-156.7	-6.9	0	0	0	106.4
1687	W	24.6	Very low	26.8	Very low	180 Å²	180	149.4 Å²	149.4	68%	0.682	78%	0.782	S	S	*	*			trans	-90.3	158.4	-158.8	-84	65.6	0	0	0	114.6	F1685	F1685-W1687 AromaticContact CD1-CD1 3.96Å; F1685-W1687 AromaticContact CD1-NE1 3.56Å; F1685-W1687 HydrophobicContact CE1-CZ2 4.44Å; F1685-W1687 AromaticContact CE1-NE1 3.77Å
1688	D	26.5	Very low	26.9	Very low	124 Å²	124	151 Å²	151	66%	0.663	79%	0.79	S	S	*	*			trans	59.2	92.4	170.6	-78	-35.2	0	0	0	119.4
1689	K	30.5	Very low	26.8	Very low	222 Å²	222	147.5 Å²	147.5	97%	0.965	79%	0.789	S	S	*	*				-128.7	122.6	114.8	-83	-167.2	176.9	175.7	0	110.9
1690	N	27	Very low	26.8	Very low	122 Å²	122	145 Å²	145	65%	0.652	79%	0.79	S	S	*	*			trans	-118	176	-174	-158.2	-19.3	0	0	0	110.5
1691	T	28.8	Very low	26.7	Very low	114 Å²	114	144.1 Å²	144.1	70%	0.699	79%	0.786	S	S	*	*			trans	76.8	142.6	172.8	77.7	0	0	0	0	117.4
1692	N	27.6	Very low	26.8	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	79%	0.789	S	S	*	*			cis	-160.2	152.2	-16.9	-111.3	-14.7	0	0	0	112.1	T1694	N1692-T1694 HydrophobicContact CB-CG2 4.16Å
1693	G	30	Very low	26.9	Very low	81 Å²	81	146 Å²	146	84%	0.835	79%	0.789	S	S	*	*			trans	-144.3	115.9	158.8	0	0	0	0	0	108.1
1694	T	27.9	Very low	27.1	Very low	108 Å²	108	137.8 Å²	137.8	66%	0.663	76%	0.755	S	S	*	*			trans	-119.6	146.7	-156.8	54.1	0	0	0	0	114	N1692	N1692-T1694 HydrophobicContact CB-CG2 4.16Å
1695	E	25.2	Very low	27.1	Very low	182 Å²	182	133.8 Å²	133.8	85%	0.85	74%	0.743	S	S	*	*			trans	-142.1	126.1	142.7	-124.8	169.2	-149	0	0	112.3
1696	T	27.2	Very low	27.6	Very low	135 Å²	135	129 Å²	129	83%	0.828	72%	0.72	S	S	*	*			trans	55.3	132.3	165.4	54.3	0	0	0	0	122
1697	I	34.3	Very low	28.1	Very low	158 Å²	158	124.3 Å²	124.3	81%	0.81	69%	0.693	S	S	*	*			trans	-145.4	146.6	176	-55.1	167.9	0	0	0	108.3
1698	P	24.6	Very low	29	Very low	132 Å²	132	118.4 Å²	118.4	86%	0.857	68%	0.675	S	S	*	*			trans	-144.6	111.3	139.4	34.1	-16.5	0	0	0	116.2
1699	G	25.1	Very low	30.2	Very low	77 Å²	77	114.6 Å²	114.6	79%	0.794	65%	0.654	S	S	*	*			trans	95.2	152.5	148	0	0	0	0	0	118.9
1700	G	26.3	Very low	31.9	Very low	80 Å²	80	105 Å²	105	83%	0.825	61%	0.612	S	S	*	*			trans	126.1	102.2	167.9	0	0	0	0	0	115.5
1701	F	21.9	Very low	34.2	Very low	197 Å²	197	100.8 Å²	100.8	86%	0.864	59%	0.589	S	S	*	*			trans	-80.6	133.9	165.5	-81.1	-117.3	0	0	0	110.2
1702	N	26.5	Very low	36.5	Very low	148 Å²	148	95.6 Å²	95.6	79%	0.791	56%	0.558	S	S	*	*				170	162.6	112.2	-90.8	-57.4	0	0	0	113.7
1703	N	25.9	Very low	39.3	Very low	124 Å²	124	89.1 Å²	89.1	66%	0.663	52%	0.523	S	S	*	.			trans	-79.8	142.8	179.7	-38.4	-97.9	0	0	0	112.1
1704	D	30.5	Very low	42.1	Very low	28 Å²	28	85.3 Å²	85.3	15%	0.15	48%	0.484	C	S	.	.				166.7	78.9	102.8	-88.1	-33.5	0	0	0	114.8	R1654 Y1706 N2015 Q2016	R1654-D1704 VanDerWaalsContact CZ-CG 3.48Å; R1654-D1704 IonicContact CZ-OD1 3.94Å; R1654-D1704 IonicContact CZ-OD2 2.79Å; R1654-D1704 IonicContact NE-OD1 2.99Å; R1654-D1704 IonicContact NH1-OD1 2.66Å; R1654-D1704 IonicContact NH1-OD2 3.78Å; R1654-D1704 PolarHBondContact NH1-OD2 3.1Å; R1654-D1704 IonicContact NH2-OD1 3.53Å; R1654-D1704 PolarHBondContact NH2-OD1 3.08Å; R1654-D1704 IonicContact NH2-OD2 3.64Å; R1654-D1704 PolarHBondContact NH2-OD2 3.13Å; D1704-Y1706 PolarHBondContact O-N 2.85Å; D1704-N2015 VanDerWaalsContact O-O 3.12Å; D1704-Q2016 HydrophobicContact CB-CG 4.07Å; D1704-Q2016 PolarHBondContact OD2-NE2 3.46Å
1705	N	27.1	Very low	45	Very low	121 Å²	121	80.2 Å²	80.2	65%	0.647	45%	0.452	S	S	*	.			trans	-87	105.3	164.1	-71.4	28.7	0	0	0	109.7
1706	Y	34.4	Very low	47.9	Very low	85 Å²	85	71.5 Å²	71.5	33%	0.333	41%	0.412	S	S	.	.			trans	-115.6	92.6	173	-103.8	-73.3	0	0	0	111.1	F1652 R1654 D1704 N1708 N2018	F1652-Y1706 HydrophobicContact CB-CD1 3.67Å; F1652-Y1706 HydrophobicContact CB-CE1 3.78Å; F1652-Y1706 HydrophobicContact CG-CD1 4.31Å; F1652-Y1706 HydrophobicContact CG-CE1 4.44Å; R1654-Y1706 HydrophobicContact CG-CD2 4.34Å; R1654-Y1706 HydrophobicContact CG-CE2 3.39Å; R1654-Y1706 WeakPolarHBondContact CG-OH 3.29Å; D1704-Y1706 PolarHBondContact O-N 2.85Å; Y1706-N1708 PolarHBondContact O-N 3Å; Y1706-N2018 VanDerWaalsContact C-CB 3.43Å; Y1706-N2018 WeakPolarHBondContact O-CB 3.44Å
1707	F	38	Very low	50.6	Low	58 Å²	58	65.4 Å²	65.4	25%	0.254	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-41.7	115.3	172.1	-84.5	-84.8	0	0	0	112.4	F1652 L1709 N2018 E2020 D2021	F1652-F1707 WeakPolarHBondContact CD2-O 3.47Å; F1652-F1707 VanDerWaalsContact CE2-O 3.25Å; F1652-F1707 WeakPolarHBondContact CE2-O 3.22Å; F1707-L1709 VanDerWaalsContact C-N 3.28Å; F1707-L1709 PolarHBondContact O-N 3.32Å; F1707-N2018 WeakPolarHBondContact CD1-ND2 3.29Å; F1707-N2018 WeakPolarHBondContact CD2-ND2 3.02Å; F1707-N2018 VanDerWaalsContact CG-ND2 3.33Å; F1707-N2018 WeakPolarHBondContact CG-ND2 3.17Å; F1707-E2020 HydrophobicContact CD1-CB 3.95Å; F1707-E2020 HydrophobicContact CE1-CB 3.56Å; F1707-E2020 HydrophobicContact CE1-CG 4.17Å; F1707-E2020 VanDerWaalsContact CE1-OE2 3.22Å; F1707-E2020 WeakPolarHBondContact CE1-OE2 3.27Å; F1707-E2020 WeakPolarHBondContact CZ-OE2 3.3Å; F1707-D2021 HydrophobicContact CB-CB 4.4Å; F1707-D2021 VanDerWaalsContact CB-OD2 3.27Å; F1707-D2021 WeakPolarHBondContact CB-OD2 3.24Å; F1707-D2021 HydrophobicContact CD1-CB 4.27Å; F1707-D2021 WeakPolarHBondContact CD1-OD1 3.46Å
1708	N	44.2	Very low	52.3	Low	56 Å²	56	58.1 Å²	58.1	30%	0.299	34%	0.337	S	S	.	.			trans	-78.5	55.8	-177.7	-82	-51.8	0	0	0	113	Y1706 H1710 N2018 D2021	Y1706-N1708 PolarHBondContact O-N 3Å; N1708-H1710 PolarHBondContact O-CD2 2.04Å; N1708-H1710 PolarHBondContact O-N 3.3Å; N1708-H1710 VanDerWaalsContact O-N 3.09Å; N1708-N2018 WeakPolarHBondContact CB-O 3.42Å; N1708-N2018 PolarHBondContact ND2-N 3.4Å; N1708-N2018 PolarHBondContact ND2-O 2.03Å; N1708-D2021 HydrophobicContact CB-CB 4.46Å
1709	L	51.8	Low	54.1	Low	43 Å²	43	54 Å²	54	23%	0.225	31%	0.311	C	S	.	.			trans	-55.2	122.6	-167	-163.5	60.7	0	0	0	112	C1649 P1650 F1652 F1707 I1711 D2021	C1649-L1709 WeakPolarHBondContact CA-O 3.5Å; P1650-L1709 WeakPolarHBondContact CD-O 3.17Å; P1650-L1709 HydrophobicContact CG-CB 4.16Å; F1652-L1709 HydrophobicContact CE2-CB 3.57Å; F1652-L1709 HydrophobicContact CZ-CB 4.03Å; F1652-L1709 HydrophobicContact CZ-CD2 4.42Å; F1707-L1709 VanDerWaalsContact C-N 3.28Å; F1707-L1709 PolarHBondContact O-N 3.32Å; L1709-I1711 HydrophobicContact CD2-CD1 3.75Å; L1709-I1711 HydrophobicContact CD2-CG1 4.03Å; L1709-I1711 HydrophobicContact CG-CD1 4.13Å; L1709-I1711 HydrophobicContact CG-CG1 3.83Å; L1709-D2021 WeakPolarHBondContact CA-OD2 3.42Å; L1709-D2021 WeakPolarHBondContact CB-OD2 3.39Å; L1709-D2021 HydrophobicContact CD1-CB 4.41Å; L1709-D2021 WeakPolarHBondContact CD1-OD2 3.23Å; L1709-D2021 PolarHBondContact N-OD2 2.83Å
1710	H	66.8	Low	55.5	Low	20 Å²	20	56.9 Å²	56.9	9%	0.093	31%	0.308	C	S	.	.			trans	-114.5	134.3	171.1	-81.9	-155.7	0	0	0	106.6	V1647 W1648 C1649 N1708 Y2022 Y2025	V1647-H1710 HydrophobicContact CG1-CB 3.47Å; V1647-H1710 VanDerWaalsContact CG1-CB 3.47Å; W1648-H1710 CarbonylContact O-C 3.53Å; W1648-H1710 WeakPolarHBondContact O-CA 3.41Å; C1649-H1710 PolarHBondContact SG-CD2 2.93Å; C1649-H1710 VanDerWaalsContact SG-CE1 3.56Å; C1649-H1710 PolarHBondContact SG-NE2 3.5Å; N1708-H1710 PolarHBondContact O-CD2 2.04Å; N1708-H1710 PolarHBondContact O-N 3.3Å; N1708-H1710 VanDerWaalsContact O-N 3.09Å; H1710-Y2022 AromaticContact CE1-CD2 3.6Å; H1710-Y2022 AromaticContact CE1-CE1 3.95Å; H1710-Y2022 AromaticContact CE1-CE2 3.27Å; H1710-Y2022 WeakPolarHBondContact CE1-CE2 3.42Å; H1710-Y2022 AromaticContact CE1-CZ 3.47Å; H1710-Y2022 VanDerWaalsContact CE1-CZ 3.47Å; H1710-Y2022 AromaticContact ND1-CE1 3.93Å; H1710-Y2022 AromaticContact ND1-CZ 3.93Å; H1710-Y2022 AromaticContact NE2-CD2 3.97Å; H1710-Y2022 AromaticContact NE2-CE2 3.9Å; H1710-Y2025 HydrophobicContact CB-CD1 3.56Å; H1710-Y2025 HydrophobicContact CB-CD2 3.78Å; H1710-Y2025 HydrophobicContact CB-CE1 4.33Å; H1710-Y2025 HydrophobicContact CB-CG 3.23Å; H1710-Y2025 AromaticContact ND1-CD1 3.91Å; H1710-Y2025 WeakPolarHBondContact O-CB 3.3Å; H1710-Y2025 WeakPolarHBondContact O-CD2 3.43Å
1711	I	73.4	Confident	56.7	Low	34 Å²	34	58.2 Å²	58.2	17%	0.174	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.1	-173.4	-52.9	-174.2	0	0	0	109.1	V1647 W1648 P1650 L1709 V1713 L1749 Y2025	V1647-I1711 WeakPolarHBondContact CA-O 3.19Å; W1648-I1711 HydrophobicContact CE3-CB 4.42Å; W1648-I1711 HydrophobicContact CE3-CD1 3.8Å; W1648-I1711 HydrophobicContact CE3-CG1 4.49Å; W1648-I1711 HydrophobicContact CZ3-CD1 3.96Å; W1648-I1711 PolarHBondContact N-O 2.94Å; W1648-I1711 PolarHBondContact O-N 3.14Å; P1650-I1711 HydrophobicContact CG-CD1 4.46Å; L1709-I1711 HydrophobicContact CD2-CD1 3.75Å; L1709-I1711 HydrophobicContact CD2-CG1 4.03Å; L1709-I1711 HydrophobicContact CG-CD1 4.13Å; L1709-I1711 HydrophobicContact CG-CG1 3.83Å; I1711-V1713 HydrophobicContact CB-CG1 4.31Å; I1711-V1713 HydrophobicContact CG2-CG1 4.14Å; I1711-V1713 WeakPolarHBondContact O-CG1 3.21Å; I1711-V1713 PolarHBondContact O-N 3.47Å; I1711-L1749 HydrophobicContact CG2-CD1 4.03Å; I1711-Y2025 VanDerWaalsContact C-CE2 3.41Å
1712	P	77.9	Confident	58	Low	5 Å²	5	50.2 Å²	50.2	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.1	-179.1	29.6	-31.6	0	0	0	109.4	G1646 Y1763 Y2025 M2028	G1646-P1712 WeakPolarHBondContact O-CA 3.42Å; P1712-Y1763 HydrophobicContact CB-CD1 4.45Å; P1712-Y1763 WeakPolarHBondContact O-CB 3.37Å; P1712-Y1763 PolarHBondContact O-N 2.81Å; P1712-Y2025 HydrophobicContact CB-CE2 3.78Å; P1712-Y2025 HydrophobicContact CG-CE2 4.28Å; P1712-Y2025 VanDerWaalsContact N-CE2 3.33Å; P1712-M2028 HydrophobicContact CG-CB 4.3Å; P1712-M2028 HydrophobicContact CG-CE 3.56Å; P1712-M2028 HydrophobicContact CG-SD 4.18Å
1713	V	86.8	Confident	59.4	Low	0 Å²	0	47 Å²	47	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	168.6	-169.7	-56.7	0	0	0	0	114.1	L1629 C1645 G1646 W1648 I1711 I1715 L1749 I1760 T1761	L1629-V1713 HydrophobicContact CD2-CG2 4.41Å; C1645-V1713 CarbonylContact C-O 3.36Å; C1645-V1713 VanDerWaalsContact C-O 3.22Å; C1645-V1713 WeakPolarHBondContact CA-O 3.33Å; C1645-V1713 WeakPolarHBondContact CB-O 3.48Å; G1646-V1713 PolarHBondContact N-O 2.86Å; G1646-V1713 PolarHBondContact O-N 3.33Å; W1648-V1713 HydrophobicContact CB-CB 4.44Å; W1648-V1713 HydrophobicContact CB-CG1 3.58Å; W1648-V1713 HydrophobicContact CB-CG2 4.03Å; I1711-V1713 HydrophobicContact CB-CG1 4.31Å; I1711-V1713 HydrophobicContact CG2-CG1 4.14Å; I1711-V1713 WeakPolarHBondContact O-CG1 3.21Å; I1711-V1713 PolarHBondContact O-N 3.47Å; V1713-I1715 HydrophobicContact CG2-CD1 4.11Å; V1713-I1715 HydrophobicContact CG2-CG1 3.89Å; V1713-L1749 HydrophobicContact CB-CD1 4.3Å; V1713-L1749 HydrophobicContact CG1-CD1 3.32Å; V1713-I1760 HydrophobicContact CB-CG2 3.8Å; V1713-I1760 HydrophobicContact CG1-CG2 4Å; V1713-I1760 HydrophobicContact CG2-CG2 3.88Å; V1713-T1761 CarbonylContact C-O 3.56Å; V1713-T1761 VanDerWaalsContact C-O 3.28Å; V1713-T1761 WeakPolarHBondContact CA-O 3.41Å; V1713-T1761 WeakPolarHBondContact CB-O 3.33Å
1714	A	89.3	Confident	61	Low	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.6	156.7	0	0	0	0	0	114.3	V1643 Y1644 C1645 I1760 T1761 N2175 Y2176	V1643-A1714 HydrophobicContact CG1-CB 3.76Å; Y1644-A1714 CarbonylContact O-C 3.59Å; Y1644-A1714 WeakPolarHBondContact O-CA 3.49Å; C1645-A1714 HydrophobicContact CB-CB 4.11Å; A1714-I1760 CarbonylContact O-C 3.53Å; A1714-I1760 WeakPolarHBondContact O-CA 3.49Å; A1714-T1761 WeakPolarHBondContact CA-OG1 3.27Å; A1714-T1761 WeakPolarHBondContact CB-OG1 3.24Å; A1714-T1761 PolarHBondContact N-O 2.72Å; A1714-T1761 PolarHBondContact N-OG1 3.14Å; A1714-T1761 PolarHBondContact O-N 3.11Å; A1714-T1761 PolarHBondContact O-OG1 2.69Å; A1714-N2175 CarbonylContact C-O 3.45Å; A1714-Y2176 HydrophobicContact CB-CD2 3.54Å; A1714-Y2176 HydrophobicContact CB-CE2 3.47Å; A1714-Y2176 VanDerWaalsContact CB-CE2 3.47Å; A1714-Y2176 HydrophobicContact CB-CG 4.4Å
1715	I	88.4	Confident	62.4	Low	1 Å²	1	49 Å²	49	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	95.7	-148.9	-57.1	166.6	0	0	0	110.8	L1629 V1643 Y1644 V1713 V1717 Q1758 L1759 I1760 N2175	L1629-I1715 HydrophobicContact CB-CD1 4.47Å; L1629-I1715 HydrophobicContact CD1-CG2 4.06Å; L1629-I1715 HydrophobicContact CD2-CD1 4.01Å; L1629-I1715 HydrophobicContact CD2-CG1 4.16Å; V1643-I1715 CarbonylContact C-O 3.58Å; V1643-I1715 WeakPolarHBondContact CA-O 3.49Å; Y1644-I1715 PolarHBondContact N-O 2.81Å; Y1644-I1715 VanDerWaalsContact N-O 3.09Å; Y1644-I1715 VanDerWaalsContact O-CB 3.31Å; Y1644-I1715 WeakPolarHBondContact O-CB 3.5Å; Y1644-I1715 WeakPolarHBondContact O-CG1 3.36Å; Y1644-I1715 PolarHBondContact O-N 2.87Å; V1713-I1715 HydrophobicContact CG2-CD1 4.11Å; V1713-I1715 HydrophobicContact CG2-CG1 3.89Å; I1715-V1717 PolarHBondContact O-N 2.94Å; I1715-Q1758 HydrophobicContact CG2-CB 4.04Å; I1715-L1759 CarbonylContact C-O 3.47Å; I1715-L1759 WeakPolarHBondContact CA-O 3.44Å; I1715-I1760 HydrophobicContact CB-CD1 3.99Å; I1715-I1760 HydrophobicContact CG1-CD1 4.03Å; I1715-I1760 HydrophobicContact CG2-CD1 3.61Å; I1715-N2175 PolarHBondContact N-O 3.33Å
1716	K	86.4	Confident	63.9	Low	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	82.5	-169.6	-175.3	172.2	-179.5	-176.8	0	118.3	V1643 L1730 E1733 Q1758 L1759 D1826 N2175 I2177	V1643-K1716 HydrophobicContact CG2-CB 3.31Å; V1643-K1716 HydrophobicContact CG2-CD 4.5Å; V1643-K1716 HydrophobicContact CG2-CG 3.77Å; K1716-L1730 HydrophobicContact CD-CD1 3.86Å; K1716-L1730 HydrophobicContact CG-CD1 4.33Å; K1716-L1730 HydrophobicContact CG-CD2 4.43Å; K1716-E1733 IonicContact NZ-OE1 3.98Å; K1716-E1733 PolarHBondContact NZ-OE1 2.95Å; K1716-E1733 IonicContact NZ-OE2 2.65Å; K1716-E1733 PolarHBondContact NZ-OE2 3.1Å; K1716-Q1758 VanDerWaalsContact O-CA 3.23Å; K1716-Q1758 WeakPolarHBondContact O-CA 2.97Å; K1716-L1759 HydrophobicContact CB-CB 4.19Å; K1716-L1759 PolarHBondContact N-O 3.09Å; K1716-L1759 PolarHBondContact O-N 3Å; K1716-D1826 IonicContact NZ-OD1 3.97Å; K1716-N2175 HydrophobicContact CB-CB 3.61Å; K1716-N2175 HydrophobicContact CD-CB 3.43Å; K1716-N2175 VanDerWaalsContact CD-CB 3.43Å; K1716-N2175 WeakPolarHBondContact CD-ND2 3.26Å; K1716-N2175 WeakPolarHBondContact CD-OD1 3.42Å; K1716-N2175 WeakPolarHBondContact CE-OD1 3.18Å; K1716-N2175 HydrophobicContact CG-CB 4.16Å; K1716-N2175 PolarHBondContact NZ-OD1 3.17Å; K1716-I2177 HydrophobicContact CD-CB 4.31Å; K1716-I2177 HydrophobicContact CD-CD1 4.48Å; K1716-I2177 HydrophobicContact CD-CG1 4.2Å; K1716-I2177 HydrophobicContact CD-CG2 4.48Å; K1716-I2177 HydrophobicContact CG-CB 4.23Å; K1716-I2177 HydrophobicContact CG-CG2 3.98Å
1717	V	83.1	Confident	65.4	Low	6 Å²	6	43.7 Å²	43.7	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	139.8	168	-151.6	0	0	0	0	110.6	G1641 T1642 Y1644 I1715 K1756 L1757 Q1758	G1641-V1717 CarbonylContact C-O 3.59Å; G1641-V1717 WeakPolarHBondContact CA-O 3.41Å; T1642-V1717 CarbonylContact C-O 3.57Å; T1642-V1717 PolarHBondContact N-O 2.87Å; T1642-V1717 CarbonylContact O-C 3.32Å; T1642-V1717 WeakPolarHBondContact O-CA 3.47Å; T1642-V1717 WeakPolarHBondContact O-CB 3.34Å; T1642-V1717 WeakPolarHBondContact O-CG2 3.46Å; T1642-V1717 PolarHBondContact O-N 3.27Å; Y1644-V1717 HydrophobicContact CD2-CG2 3.74Å; Y1644-V1717 HydrophobicContact CE2-CB 4.47Å; Y1644-V1717 HydrophobicContact CE2-CG2 3.67Å; I1715-V1717 PolarHBondContact O-N 2.94Å; V1717-K1756 HydrophobicContact CG1-CB 3.44Å; V1717-K1756 VanDerWaalsContact CG1-CB 3.44Å; V1717-K1756 HydrophobicContact CG1-CD 3.44Å; V1717-K1756 VanDerWaalsContact CG1-CD 3.44Å; V1717-K1756 HydrophobicContact CG1-CG 4.07Å; V1717-L1757 WeakPolarHBondContact CA-O 3.32Å; V1717-Q1758 HydrophobicContact CG1-CG 4.4Å; V1717-Q1758 HydrophobicContact CG2-CB 4.48Å; V1717-Q1758 HydrophobicContact CG2-CG 4.23Å
1718	L	70.4	Confident	66.8	Low	5 Å²	5	46 Å²	46	3%	0.026	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-75.4	158.5	165.5	-73.7	120.2	0	0	0	112	A1722 T1726 L1730 L1757	L1718-A1722 HydrophobicContact CB-CB 4.25Å; L1718-A1722 HydrophobicContact CD2-CB 4.09Å; L1718-T1726 HydrophobicContact CD2-CG2 3.56Å; L1718-L1730 HydrophobicContact CD1-CB 4.28Å; L1718-L1730 HydrophobicContact CD1-CD2 3.43Å; L1718-L1730 VanDerWaalsContact CD1-CD2 3.43Å; L1718-L1730 HydrophobicContact CD1-CG 4.46Å; L1718-L1730 HydrophobicContact CG-CD2 3.85Å; L1718-L1757 HydrophobicContact CD1-CB 3.75Å; L1718-L1757 HydrophobicContact CD1-CD2 4.19Å; L1718-L1757 HydrophobicContact CD1-CG 4.29Å; L1718-L1757 PolarHBondContact N-O 3.18Å
1719	S	62.1	Low	67.8	Low	45 Å²	45	46.9 Å²	46.9	32%	0.315	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-74.4	153.5	172.1	55.6	0	0	0	0	112.1	S1721 A1722	S1719-S1721 PolarHBondContact O-N 3.11Å; S1719-S1721 VanDerWaalsContact O-N 3.07Å; S1719-S1721 PolarHBondContact OG-OG 3.02Å; S1719-A1722 VanDerWaalsContact O-CB 3.31Å; S1719-A1722 WeakPolarHBondContact O-CB 3.46Å; S1719-A1722 PolarHBondContact O-N 2.03Å; S1719-A1722 VanDerWaalsContact O-N 3.12Å
1720	D	55.4	Low	68.5	Low	138 Å²	138	44.9 Å²	44.9	74%	0.738	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-16.9	-178.9	-63	-89	0	0	0	114.6	A1722 K1756	D1720-A1722 VanDerWaalsContact C-N 3.33Å; D1720-K1756 WeakPolarHBondContact OD1-CE 3.44Å; D1720-K1756 IonicContact OD1-NZ 3.32Å; D1720-K1756 PolarHBondContact OD1-NZ 3.11Å; D1720-K1756 IonicContact OD2-NZ 2.59Å; D1720-K1756 PolarHBondContact OD2-NZ 3.43Å
1721	S	49.8	Very low	68.7	Low	108 Å²	108	47.1 Å²	47.1	76%	0.755	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	5.1	176.9	52.5	0	0	0	0	114.8	S1719	S1719-S1721 PolarHBondContact O-N 3.11Å; S1719-S1721 VanDerWaalsContact O-N 3.07Å; S1719-S1721 PolarHBondContact OG-OG 3.02Å
1722	A	49.3	Very low	68.6	Low	30 Å²	30	49.6 Å²	49.6	25%	0.248	28%	0.276	C	S	.	.			trans	-70.8	128.4	-174.3	0	0	0	0	0	113.2	L1718 S1719 D1720 T1726	L1718-A1722 HydrophobicContact CB-CB 4.25Å; L1718-A1722 HydrophobicContact CD2-CB 4.09Å; S1719-A1722 VanDerWaalsContact O-CB 3.31Å; S1719-A1722 WeakPolarHBondContact O-CB 3.46Å; S1719-A1722 PolarHBondContact O-N 2.03Å; S1719-A1722 VanDerWaalsContact O-N 3.12Å; D1720-A1722 VanDerWaalsContact C-N 3.33Å; A1722-T1726 HydrophobicContact CB-CG2 4.35Å
1723	D	57.1	Low	68.5	Low	79 Å²	79	49.5 Å²	49.5	42%	0.422	28%	0.275	S	S	.	.			trans	-80.3	171.5	172.1	82.5	-17.4	0	0	0	111.9	Q1725 T1726 N1727	D1723-Q1725 PolarHBondContact O-N 3.39Å; D1723-Q1725 PolarHBondContact OD1-N 3.07Å; D1723-Q1725 VanDerWaalsContact OD1-N 3.16Å; D1723-T1726 PolarHBondContact O-N 2.78Å; D1723-T1726 WeakPolarHBondContact OD1-CB 3.34Å; D1723-T1726 PolarHBondContact OD1-N 3.28Å; D1723-T1726 PolarHBondContact OD1-OG1 3.48Å; D1723-N1727 PolarHBondContact O-N 2.86Å; D1723-N1727 PolarHBondContact O-ND2 3.41Å; D1723-N1727 VanDerWaalsContact O-ND2 3.11Å
1724	P	58.6	Low	68	Low	116 Å²	116	49.6 Å²	49.6	75%	0.753	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-20.7	177.9	-25.3	36.3	0	0	0	114.6
1725	Q	60.8	Low	67.3	Low	78 Å²	78	53 Å²	53	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-81.1	-36.5	178.3	174.3	61.5	27.2	0	0	111.4	D1723 N1727 K1728 E1729	D1723-Q1725 PolarHBondContact O-N 3.39Å; D1723-Q1725 PolarHBondContact OD1-N 3.07Å; D1723-Q1725 VanDerWaalsContact OD1-N 3.16Å; Q1725-N1727 VanDerWaalsContact C-N 3.35Å; Q1725-N1727 PolarHBondContact O-N 3.33Å; Q1725-K1728 WeakPolarHBondContact O-CA 3.28Å; Q1725-K1728 WeakPolarHBondContact O-CB 3.48Å; Q1725-K1728 PolarHBondContact O-N 2.97Å; Q1725-K1728 VanDerWaalsContact O-N 3.08Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.58Å; Q1725-E1729 PolarHBondContact O-N 3.34Å
1726	T	58.6	Low	66.8	Low	36 Å²	36	53.3 Å²	53.3	22%	0.221	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.4	-47.6	0	0	0	0	111.1	F1640 L1718 A1722 D1723 K1728 E1729 L1730	F1640-T1726 HydrophobicContact CD1-CG2 4.32Å; L1718-T1726 HydrophobicContact CD2-CG2 3.56Å; A1722-T1726 HydrophobicContact CB-CG2 4.35Å; D1723-T1726 PolarHBondContact O-N 2.78Å; D1723-T1726 WeakPolarHBondContact OD1-CB 3.34Å; D1723-T1726 PolarHBondContact OD1-N 3.28Å; D1723-T1726 PolarHBondContact OD1-OG1 3.48Å; T1726-K1728 VanDerWaalsContact C-N 3.26Å; T1726-K1728 PolarHBondContact O-N 3.42Å; T1726-E1729 PolarHBondContact O-N 3.31Å; T1726-L1730 PolarHBondContact O-N 2.76Å; T1726-L1730 VanDerWaalsContact O-N 3.12Å
1727	N	65.2	Low	66.5	Low	59 Å²	59	53.3 Å²	53.3	32%	0.316	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-35.7	172.3	-77.3	-65.9	0	0	0	112.9	D1723 Q1725 L1731	D1723-N1727 PolarHBondContact O-N 2.86Å; D1723-N1727 PolarHBondContact O-ND2 3.41Å; D1723-N1727 VanDerWaalsContact O-ND2 3.11Å; Q1725-N1727 VanDerWaalsContact C-N 3.35Å; Q1725-N1727 PolarHBondContact O-N 3.33Å; N1727-L1731 WeakPolarHBondContact O-CG 3.35Å; N1727-L1731 PolarHBondContact O-N 3.36Å
1728	K	66.4	Low	66.2	Low	107 Å²	107	53.1 Å²	53.1	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-35.9	176.6	175.6	-175.3	163.7	-159	0	111.5	Q1725 T1726 L1731 E1732	Q1725-K1728 WeakPolarHBondContact O-CA 3.28Å; Q1725-K1728 WeakPolarHBondContact O-CB 3.48Å; Q1725-K1728 PolarHBondContact O-N 2.97Å; Q1725-K1728 VanDerWaalsContact O-N 3.08Å; T1726-K1728 VanDerWaalsContact C-N 3.26Å; T1726-K1728 PolarHBondContact O-N 3.42Å; K1728-L1731 CarbonylContact O-C 3.56Å; K1728-L1731 WeakPolarHBondContact O-CB 3.34Å; K1728-L1731 PolarHBondContact O-N 3.08Å; K1728-E1732 PolarHBondContact O-N 3.18Å
1729	E	66	Low	66.5	Low	75 Å²	75	53.2 Å²	53.2	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-43.8	176.8	-74.4	170.4	-163.6	0	0	111.8	F1640 Q1725 T1726 L1731 E1732 E1733	F1640-E1729 HydrophobicContact CE1-CB 4.3Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.58Å; Q1725-E1729 PolarHBondContact O-N 3.34Å; T1726-E1729 PolarHBondContact O-N 3.31Å; E1729-L1731 PolarHBondContact O-N 3.36Å; E1729-E1732 PolarHBondContact O-N 3.25Å; E1729-E1732 VanDerWaalsContact O-N 3.09Å; E1729-E1733 PolarHBondContact O-N 3.25Å
1730	L	66.2	Low	67.4	Low	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-29.6	171.6	-174.8	60.8	0	0	0	112.7	K1716 L1718 T1726 E1733 A1734 L1757 L1759	K1716-L1730 HydrophobicContact CD-CD1 3.86Å; K1716-L1730 HydrophobicContact CG-CD1 4.33Å; K1716-L1730 HydrophobicContact CG-CD2 4.43Å; L1718-L1730 HydrophobicContact CD1-CB 4.28Å; L1718-L1730 HydrophobicContact CD1-CD2 3.43Å; L1718-L1730 VanDerWaalsContact CD1-CD2 3.43Å; L1718-L1730 HydrophobicContact CD1-CG 4.46Å; L1718-L1730 HydrophobicContact CG-CD2 3.85Å; T1726-L1730 PolarHBondContact O-N 2.76Å; T1726-L1730 VanDerWaalsContact O-N 3.12Å; L1730-E1733 HydrophobicContact CD1-CB 4.42Å; L1730-E1733 HydrophobicContact CD1-CG 4.4Å; L1730-E1733 WeakPolarHBondContact CD1-OE2 3.49Å; L1730-A1734 WeakPolarHBondContact O-CB 3.47Å; L1730-A1734 PolarHBondContact O-N 3.12Å; L1730-L1757 HydrophobicContact CB-CD2 4.13Å; L1730-L1757 HydrophobicContact CD2-CD2 3.91Å; L1730-L1757 HydrophobicContact CD2-CG 3.98Å; L1730-L1757 HydrophobicContact CG-CD2 4.04Å; L1730-L1759 HydrophobicContact CD1-CD1 4.39Å
1731	L	71.7	Confident	68.7	Low	67 Å²	67	48.5 Å²	48.5	35%	0.351	26%	0.264	S	S	.	.	H	α-helix	trans	-74.7	-27.4	173	-76.4	170.2	0	0	0	113.6	N1727 K1728 E1729 K1735 L1751 L1757	N1727-L1731 WeakPolarHBondContact O-CG 3.35Å; N1727-L1731 PolarHBondContact O-N 3.36Å; K1728-L1731 CarbonylContact O-C 3.56Å; K1728-L1731 WeakPolarHBondContact O-CB 3.34Å; K1728-L1731 PolarHBondContact O-N 3.08Å; E1729-L1731 PolarHBondContact O-N 3.36Å; L1731-K1735 WeakPolarHBondContact O-CD 3.37Å; L1731-K1735 WeakPolarHBondContact O-CE 3.49Å; L1731-K1735 WeakPolarHBondContact O-CG 3.32Å; L1731-K1735 PolarHBondContact O-N 3.02Å; L1731-L1751 HydrophobicContact CD2-CD2 4.16Å; L1731-L1757 HydrophobicContact CD1-CD2 4.46Å; L1731-L1757 HydrophobicContact CD2-CD1 4.31Å; L1731-L1757 HydrophobicContact CD2-CD2 3.89Å; L1731-L1757 HydrophobicContact CG-CD2 3.69Å
1732	E	72	Confident	70.5	Confident	86 Å²	86	43.8 Å²	43.8	40%	0.402	23%	0.23	S	C	.	.	H	α-helix	trans	-76.8	-40.3	169.5	-63.1	-49	138.6	0	0	110.9	K1728 E1729 A1734 K1735 V1736	K1728-E1732 PolarHBondContact O-N 3.18Å; E1729-E1732 PolarHBondContact O-N 3.25Å; E1729-E1732 VanDerWaalsContact O-N 3.09Å; E1732-A1734 VanDerWaalsContact C-N 3.32Å; E1732-A1734 PolarHBondContact O-N 3.07Å; E1732-K1735 VanDerWaalsContact CD-NZ 3.28Å; E1732-K1735 CarbonylContact O-C 3.4Å; E1732-K1735 WeakPolarHBondContact O-CA 2.99Å; E1732-K1735 WeakPolarHBondContact O-CB 3.41Å; E1732-K1735 PolarHBondContact O-N 3.32Å; E1732-K1735 IonicContact OE1-NZ 3.03Å; E1732-K1735 PolarHBondContact OE1-NZ 2.52Å; E1732-K1735 WeakPolarHBondContact OE2-CD 3.23Å; E1732-K1735 IonicContact OE2-NZ 3.13Å; E1732-K1735 PolarHBondContact OE2-NZ 3.45Å; E1732-V1736 PolarHBondContact O-N 3.42Å
1733	E	73.8	Confident	72.3	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-52	-51.1	170.4	174.3	177.7	179.4	0	0	110.6	K1716 E1729 L1730 K1735 V1736 M1737 G1828 N2175	K1716-E1733 IonicContact NZ-OE1 3.98Å; K1716-E1733 PolarHBondContact NZ-OE1 2.95Å; K1716-E1733 IonicContact NZ-OE2 2.65Å; K1716-E1733 PolarHBondContact NZ-OE2 3.1Å; E1729-E1733 PolarHBondContact O-N 3.25Å; L1730-E1733 HydrophobicContact CD1-CB 4.42Å; L1730-E1733 HydrophobicContact CD1-CG 4.4Å; L1730-E1733 WeakPolarHBondContact CD1-OE2 3.49Å; E1733-K1735 PolarHBondContact O-N 3.18Å; E1733-K1735 VanDerWaalsContact O-N 3.09Å; E1733-V1736 PolarHBondContact O-N 3.14Å; E1733-V1736 VanDerWaalsContact O-N 3.09Å; E1733-M1737 HydrophobicContact CG-CE 3.79Å; E1733-M1737 HydrophobicContact CG-CG 4.24Å; E1733-M1737 HydrophobicContact CG-SD 3.61Å; E1733-M1737 VanDerWaalsContact O-CB 3.24Å; E1733-M1737 WeakPolarHBondContact O-CB 3.47Å; E1733-M1737 WeakPolarHBondContact O-CG 3.33Å; E1733-M1737 PolarHBondContact O-N 2.9Å; E1733-M1737 WeakPolarHBondContact OE1-CE 3.42Å; E1733-G1828 WeakPolarHBondContact OE2-CA 2.96Å; E1733-N2175 VanDerWaalsContact OE1-CG 3.24Å; E1733-N2175 PolarHBondContact OE1-ND2 3.41Å; E1733-N2175 PolarHBondContact OE1-OD1 3.02Å
1734	A	76.3	Confident	74	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-25	174.8	0	0	0	0	0	114.6	L1730 E1732 A1738 F1748 L1751 L1759	L1730-A1734 WeakPolarHBondContact O-CB 3.47Å; L1730-A1734 PolarHBondContact O-N 3.12Å; E1732-A1734 VanDerWaalsContact C-N 3.32Å; E1732-A1734 PolarHBondContact O-N 3.07Å; A1734-A1738 WeakPolarHBondContact O-CB 3.29Å; A1734-F1748 HydrophobicContact CB-CZ 4.36Å; A1734-L1751 HydrophobicContact CB-CD1 4.34Å; A1734-L1759 HydrophobicContact CB-CD1 3.64Å
1735	K	75.5	Confident	75.5	Confident	70 Å²	70	36.8 Å²	36.8	30%	0.304	19%	0.187	S	C	.	.	H	α-helix	trans	-93.9	-19	178.1	-69.9	169.1	-151.9	165.7	0	114.3	P1616 L1731 E1732 E1733 A1738	P1616-K1735 HydrophobicContact CG-CB 4.3Å; P1616-K1735 HydrophobicContact CG-CG 4.38Å; L1731-K1735 WeakPolarHBondContact O-CD 3.37Å; L1731-K1735 WeakPolarHBondContact O-CE 3.49Å; L1731-K1735 WeakPolarHBondContact O-CG 3.32Å; L1731-K1735 PolarHBondContact O-N 3.02Å; E1732-K1735 VanDerWaalsContact CD-NZ 3.28Å; E1732-K1735 CarbonylContact O-C 3.4Å; E1732-K1735 WeakPolarHBondContact O-CA 2.99Å; E1732-K1735 WeakPolarHBondContact O-CB 3.41Å; E1732-K1735 PolarHBondContact O-N 3.32Å; E1732-K1735 IonicContact OE1-NZ 3.03Å; E1732-K1735 PolarHBondContact OE1-NZ 2.52Å; E1732-K1735 WeakPolarHBondContact OE2-CD 3.23Å; E1732-K1735 IonicContact OE2-NZ 3.13Å; E1732-K1735 PolarHBondContact OE2-NZ 3.45Å; E1733-K1735 PolarHBondContact O-N 3.18Å; E1733-K1735 VanDerWaalsContact O-N 3.09Å; K1735-A1738 WeakPolarHBondContact O-CB 3.41Å
1736	V	78.3	Confident	76.8	Confident	9 Å²	9	33 Å²	33	6%	0.055	17%	0.169	C	C	.	.	H	α-helix	trans	-78.8	-49.5	166.1	177.3	0	0	0	0	109.1	E1732 E1733 T1739 I1804 F1827 A1830	E1732-V1736 PolarHBondContact O-N 3.42Å; E1733-V1736 PolarHBondContact O-N 3.14Å; E1733-V1736 VanDerWaalsContact O-N 3.09Å; V1736-T1739 PolarHBondContact O-N 2.74Å; V1736-T1739 PolarHBondContact O-OG1 3.18Å; V1736-I1804 HydrophobicContact CG1-CG2 3.7Å; V1736-F1827 HydrophobicContact CG1-CD1 4.27Å; V1736-A1830 HydrophobicContact CG1-CB 3.9Å
1737	M	79.2	Confident	78	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-50.2	-67.7	-178.5	-80.8	179.9	156.8	0	0	112.8	E1733 T1739 V1740 F1748 L1759 F1827 N2172 N2173 N2175	E1733-M1737 HydrophobicContact CG-CE 3.79Å; E1733-M1737 HydrophobicContact CG-CG 4.24Å; E1733-M1737 HydrophobicContact CG-SD 3.61Å; E1733-M1737 VanDerWaalsContact O-CB 3.24Å; E1733-M1737 WeakPolarHBondContact O-CB 3.47Å; E1733-M1737 WeakPolarHBondContact O-CG 3.33Å; E1733-M1737 PolarHBondContact O-N 2.9Å; E1733-M1737 WeakPolarHBondContact OE1-CE 3.42Å; M1737-T1739 PolarHBondContact O-N 3.31Å; M1737-V1740 VanDerWaalsContact O-CB 3.29Å; M1737-V1740 WeakPolarHBondContact O-CB 3.01Å; M1737-V1740 WeakPolarHBondContact O-CG2 3.31Å; M1737-V1740 PolarHBondContact O-N 3.18Å; M1737-V1740 VanDerWaalsContact O-N 3.1Å; M1737-F1748 HydrophobicContact CB-CD1 3.9Å; M1737-F1748 HydrophobicContact CB-CE1 3.99Å; M1737-L1759 HydrophobicContact SD-CD1 3.72Å; M1737-L1759 HydrophobicContact SD-CD2 4.07Å; M1737-F1827 HydrophobicContact CE-CB 3.83Å; M1737-F1827 HydrophobicContact CE-CD2 3.94Å; M1737-F1827 HydrophobicContact CE-CG 4.36Å; M1737-F1827 HydrophobicContact CG-CB 3.75Å; M1737-F1827 HydrophobicContact CG-CD2 4.17Å; M1737-F1827 HydrophobicContact CG-CG 4.12Å; M1737-N2172 HydrophobicContact CB-CB 3.88Å; M1737-N2172 WeakPolarHBondContact CB-O 3.28Å; M1737-N2172 HydrophobicContact CG-CB 4.13Å; M1737-N2172 WeakPolarHBondContact CG-O 3.38Å; M1737-N2172 VanDerWaalsContact O-CB 3.28Å; M1737-N2172 WeakPolarHBondContact O-CB 3.04Å; M1737-N2172 PolarHBondContact O-N 2.67Å; M1737-N2173 WeakPolarHBondContact CE-O 3.05Å; M1737-N2175 WeakPolarHBondContact CE-ND2 3.32Å; M1737-N2175 PolarHBondContact SD-ND2 3.48Å; M1737-N2175 VanDerWaalsContact SD-ND2 3.4Å
1738	A	76.5	Confident	79	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	12.1	-69.5	137.6	0	0	0	0	0	119.1	P1616 A1734 K1735 V1740 T2168 T2169 A2170	P1616-A1738 HydrophobicContact CB-CB 4.49Å; A1734-A1738 WeakPolarHBondContact O-CB 3.29Å; K1735-A1738 WeakPolarHBondContact O-CB 3.41Å; A1738-V1740 PolarHBondContact O-N 3.5Å; A1738-T2168 CarbonylContact C-O 3.28Å; A1738-T2168 WeakPolarHBondContact CB-O 3.35Å; A1738-T2168 CarbonylContact O-C 2.9Å; A1738-T2169 CarbonylContact C-O 3.48Å; A1738-T2169 VanDerWaalsContact C-O 3.27Å; A1738-T2169 WeakPolarHBondContact CA-O 3.08Å; A1738-T2169 VanDerWaalsContact CB-CA 3.47Å; A1738-T2169 CarbonylContact O-C 3.45Å; A1738-A2170 CarbonylContact C-O 3.55Å; A1738-A2170 CarbonylContact O-C 3.45Å
1739	T	77.8	Confident	79.9	Confident	7 Å²	7	30.5 Å²	30.5	4%	0.043	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	11	-167	62.7	0	0	0	0	115	V1736 M1737 R1802 I1804 T2168	V1736-T1739 PolarHBondContact O-N 2.74Å; V1736-T1739 PolarHBondContact O-OG1 3.18Å; M1737-T1739 PolarHBondContact O-N 3.31Å; T1739-R1802 PolarHBondContact O-NE 3.33Å; T1739-R1802 PolarHBondContact O-NH2 3.33Å; T1739-I1804 WeakPolarHBondContact OG1-CD1 3.37Å; T1739-T2168 WeakPolarHBondContact CA-O 3.45Å; T1739-T2168 VanDerWaalsContact CG2-O 3.3Å; T1739-T2168 WeakPolarHBondContact CG2-O 3.42Å; T1739-T2168 PolarHBondContact N-O 3.05Å
1740	V	81.7	Confident	80.8	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.012	13%	0.133	C	C	.	.			trans	-131.2	124.1	-159.9	-168.7	0	0	0	0	111.5	M1737 A1738 C1745 Y1798 L1799 I1804 N2172	M1737-V1740 VanDerWaalsContact O-CB 3.29Å; M1737-V1740 WeakPolarHBondContact O-CB 3.01Å; M1737-V1740 WeakPolarHBondContact O-CG2 3.31Å; M1737-V1740 PolarHBondContact O-N 3.18Å; M1737-V1740 VanDerWaalsContact O-N 3.1Å; A1738-V1740 PolarHBondContact O-N 3.5Å; V1740-C1745 HydrophobicContact CG1-CB 3.88Å; V1740-Y1798 WeakPolarHBondContact CA-OH 3.33Å; V1740-Y1798 HydrophobicContact CB-CE1 4.23Å; V1740-Y1798 HydrophobicContact CG1-CD1 4.11Å; V1740-Y1798 HydrophobicContact CG1-CE1 3.41Å; V1740-Y1798 VanDerWaalsContact CG1-CE1 3.41Å; V1740-L1799 HydrophobicContact CG1-CD2 3.79Å; V1740-L1799 HydrophobicContact CG2-CD2 3.87Å; V1740-I1804 HydrophobicContact CG2-CD1 3.54Å; V1740-N2172 HydrophobicContact CB-CB 3.88Å; V1740-N2172 VanDerWaalsContact CB-CG 3.48Å; V1740-N2172 WeakPolarHBondContact CB-OD1 3.44Å; V1740-N2172 HydrophobicContact CG1-CB 4.26Å; V1740-N2172 WeakPolarHBondContact CG1-ND2 3.34Å; V1740-N2172 WeakPolarHBondContact CG1-OD1 3.44Å; V1740-N2172 HydrophobicContact CG2-CB 4.45Å; V1740-N2172 PolarHBondContact O-OD1 2.04Å; V1740-N2172 VanDerWaalsContact O-OD1 3.09Å
1741	D	82.5	Confident	81.7	Confident	82 Å²	82	27.1 Å²	27.1	44%	0.439	14%	0.135	S	C	.	.			trans	-147.4	99.2	172.1	-174.8	32.8	0	0	0	109.2	R1747 Y1798	D1741-R1747 IonicContact OD1-NH1 2.67Å; D1741-R1747 PolarHBondContact OD1-NH1 3.48Å; D1741-R1747 VanDerWaalsContact OD1-NH1 3.14Å; D1741-R1747 IonicContact OD2-NH1 2.99Å; D1741-Y1798 PolarHBondContact N-OH 2.9Å
1742	H	87.9	Confident	82.3	Confident	9 Å²	9	24 Å²	24	4%	0.042	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-153.8	141	-172.7	-176.4	-102.8	0	0	0	112.1	C1744 C1745 Y1798 T2163	H1742-C1744 PolarHBondContact ND1-N 3.44Å; H1742-C1744 PolarHBondContact O-N 2.84Å; H1742-C1745 HydrophobicContact CB-CB 4.2Å; H1742-C1745 CarbonylContact O-C 3.6Å; H1742-C1745 PolarHBondContact O-N 3.29Å; H1742-Y1798 HydrophobicContact CB-CD1 3.24Å; H1742-Y1798 HydrophobicContact CB-CE1 3.37Å; H1742-Y1798 HydrophobicContact CB-CG 4.07Å; H1742-Y1798 AromaticContact CG-CD1 3.58Å; H1742-Y1798 AromaticContact CG-CG 3.99Å; H1742-T2163 PolarHBondContact CD2-O 3.21Å
1743	P	85.6	Confident	82.6	Confident	68 Å²	68	24.6 Å²	24.6	44%	0.442	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.8	-175.7	24	-36.2	0	0	0	115.3	Q1821 Q1823	P1743-Q1821 PolarHBondContact O-NE2 2.99Å; P1743-Q1823 WeakPolarHBondContact O-CG 3.24Å; P1743-Q1823 PolarHBondContact O-NE2 2.89Å
1744	C	92.8	Very high	82.6	Confident	8 Å²	8	26.5 Å²	26.5	5%	0.054	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	12.9	174.9	-50.5	0	0	0	0	113.7	H1742 Q1791 Q1823 I1824	H1742-C1744 PolarHBondContact ND1-N 3.44Å; H1742-C1744 PolarHBondContact O-N 2.84Å; C1744-Q1791 WeakPolarHBondContact CB-O 3.05Å; C1744-Q1823 CarbonylContact O-C 3.58Å; C1744-Q1823 WeakPolarHBondContact O-CA 3.25Å; C1744-I1824 PolarHBondContact O-N 2.84Å
1745	C	90.5	Very high	82	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.014	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-130.6	122.5	174.5	-56	0	0	0	0	107.6	V1740 H1742 N2172	V1740-C1745 HydrophobicContact CG1-CB 3.88Å; H1742-C1745 HydrophobicContact CB-CB 4.2Å; H1742-C1745 CarbonylContact O-C 3.6Å; H1742-C1745 PolarHBondContact O-N 3.29Å; C1745-N2172 WeakPolarHBondContact CB-ND2 3.31Å
1746	V	89.3	Confident	81.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.			trans	-68.7	150.9	-168.5	-157.7	0	0	0	0	110	Q1762 L1764 L1815 Q1823 I1824 N2172 N2173	V1746-Q1762 VanDerWaalsContact CG1-CD 3.44Å; V1746-Q1762 HydrophobicContact CG1-CG 3.75Å; V1746-L1764 HydrophobicContact CB-CD1 4.44Å; V1746-L1764 HydrophobicContact CG1-CD1 3.65Å; V1746-L1764 HydrophobicContact CG1-CG 4.04Å; V1746-L1764 HydrophobicContact CG2-CD1 3.83Å; V1746-L1815 HydrophobicContact CG2-CB 4.47Å; V1746-Q1823 HydrophobicContact CB-CB 4.15Å; V1746-Q1823 HydrophobicContact CG2-CB 3.3Å; V1746-Q1823 HydrophobicContact CG2-CG 4.46Å; V1746-Q1823 WeakPolarHBondContact CG2-O 3.14Å; V1746-I1824 WeakPolarHBondContact CG2-O 3.31Å; V1746-I1824 PolarHBondContact N-O 2.89Å; V1746-I1824 VanDerWaalsContact N-O 3.1Å; V1746-N2172 WeakPolarHBondContact O-CA 3.47Å; V1746-N2172 PolarHBondContact O-ND2 3.41Å; V1746-N2172 PolarHBondContact O-OD1 3.22Å; V1746-N2173 VanDerWaalsContact C-CB 3.42Å; V1746-N2173 HydrophobicContact CB-CB 3.47Å; V1746-N2173 VanDerWaalsContact CB-CB 3.47Å; V1746-N2173 HydrophobicContact CG1-CB 3.71Å; V1746-N2173 WeakPolarHBondContact CG1-ND2 3.11Å; V1746-N2173 VanDerWaalsContact O-CB 3.29Å; V1746-N2173 WeakPolarHBondContact O-CB 3.43Å; V1746-N2173 PolarHBondContact O-N 3.04Å
1747	R	82.6	Confident	81.9	Confident	122 Å²	122	32.3 Å²	32.3	46%	0.46	18%	0.175	S	C	.	.			trans	-113.8	125.4	-169.5	173.3	-176.9	164.4	150	-7.6	118.2	D1741 Q1762 N2171 N2173	D1741-R1747 IonicContact OD1-NH1 2.67Å; D1741-R1747 PolarHBondContact OD1-NH1 3.48Å; D1741-R1747 VanDerWaalsContact OD1-NH1 3.14Å; D1741-R1747 IonicContact OD2-NH1 2.99Å; R1747-Q1762 PolarHBondContact O-N 3Å; R1747-N2171 CarbonylContact C-O 3.54Å; R1747-N2171 WeakPolarHBondContact CA-O 3.25Å; R1747-N2171 HydrophobicContact CG-CB 4.18Å; R1747-N2171 VanDerWaalsContact CG-O 3.25Å; R1747-N2171 WeakPolarHBondContact CG-O 3.22Å; R1747-N2173 PolarHBondContact N-ND2 3.33Å; R1747-N2173 VanDerWaalsContact N-ND2 3.11Å; R1747-N2173 PolarHBondContact O-ND2 2.84Å; R1747-N2173 PolarHBondContact O-OD1 2.83Å
1748	F	86	Confident	82.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-179.1	178	107.4	-105.9	0	0	0	114.8	L1621 A1734 M1737 A1750 L1751 L1759 I1760 T1761 N2171 N2172 N2173	L1621-F1748 HydrophobicContact CD1-CZ 3.86Å; A1734-F1748 HydrophobicContact CB-CZ 4.36Å; M1737-F1748 HydrophobicContact CB-CD1 3.9Å; M1737-F1748 HydrophobicContact CB-CE1 3.99Å; F1748-A1750 WeakPolarHBondContact CD2-O 3.32Å; F1748-A1750 VanDerWaalsContact CE2-C 3.44Å; F1748-A1750 WeakPolarHBondContact CE2-O 3.22Å; F1748-L1751 HydrophobicContact CE2-CB 4.35Å; F1748-L1759 HydrophobicContact CB-CD2 3.87Å; F1748-L1759 HydrophobicContact CD1-CD2 3.88Å; F1748-L1759 HydrophobicContact CD1-CG 4.46Å; F1748-L1759 HydrophobicContact CD2-CD2 3.57Å; F1748-L1759 HydrophobicContact CD2-CG 3.99Å; F1748-L1759 HydrophobicContact CE1-CD1 4.24Å; F1748-L1759 HydrophobicContact CE1-CD2 4.29Å; F1748-L1759 HydrophobicContact CE1-CG 4.38Å; F1748-L1759 HydrophobicContact CE2-CD1 4.45Å; F1748-L1759 HydrophobicContact CE2-CD2 3.97Å; F1748-L1759 HydrophobicContact CE2-CG 3.85Å; F1748-L1759 HydrophobicContact CG-CD2 3.58Å; F1748-L1759 HydrophobicContact CG-CG 4.36Å; F1748-L1759 HydrophobicContact CZ-CD1 4.18Å; F1748-L1759 HydrophobicContact CZ-CD2 4.33Å; F1748-L1759 HydrophobicContact CZ-CG 4.08Å; F1748-I1760 VanDerWaalsContact CB-O 3.28Å; F1748-I1760 WeakPolarHBondContact CB-O 3.2Å; F1748-I1760 VanDerWaalsContact CD2-O 3.28Å; F1748-I1760 WeakPolarHBondContact CD2-O 3.49Å; F1748-T1761 HydrophobicContact CB-CG2 3.99Å; F1748-N2171 VanDerWaalsContact C-ND2 3.32Å; F1748-N2171 HydrophobicContact CB-CB 4.17Å; F1748-N2171 HydrophobicContact CD1-CB 4.31Å; F1748-N2171 WeakPolarHBondContact CD2-OD1 3.25Å; F1748-N2171 VanDerWaalsContact CG-CA 3.48Å; F1748-N2171 HydrophobicContact CG-CB 4.1Å; F1748-N2171 WeakPolarHBondContact CG-OD1 3.29Å; F1748-N2171 PolarHBondContact N-O 2.63Å; F1748-N2171 WeakPolarHBondContact O-CB 3.48Å; F1748-N2171 PolarHBondContact O-ND2 3.27Å; F1748-N2172 VanDerWaalsContact CB-O 3.3Å; F1748-N2172 WeakPolarHBondContact CB-O 3.44Å; F1748-N2172 WeakPolarHBondContact CD1-O 3.34Å; F1748-N2173 WeakPolarHBondContact CA-OD1 3.21Å; F1748-N2173 VanDerWaalsContact CB-OD1 3.29Å; F1748-N2173 WeakPolarHBondContact CB-OD1 3.01Å; F1748-N2173 PolarHBondContact N-OD1 2.79Å
1749	L	85.1	Confident	82.7	Confident	26 Å²	26	32.3 Å²	32.3	14%	0.136	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-50.1	-168.2	-67.6	173.2	0	0	0	111.1	W1648 I1711 V1713 I1760 N2171	W1648-L1749 HydrophobicContact CE3-CB 3.86Å; W1648-L1749 HydrophobicContact CE3-CD1 4.25Å; W1648-L1749 HydrophobicContact CE3-CG 4.47Å; W1648-L1749 HydrophobicContact CH2-CB 4.42Å; W1648-L1749 HydrophobicContact CZ3-CB 3.63Å; W1648-L1749 HydrophobicContact CZ3-CD2 4.14Å; W1648-L1749 HydrophobicContact CZ3-CG 4.3Å; I1711-L1749 HydrophobicContact CG2-CD1 4.03Å; V1713-L1749 HydrophobicContact CB-CD1 4.3Å; V1713-L1749 HydrophobicContact CG1-CD1 3.32Å; L1749-I1760 HydrophobicContact CB-CG2 4.5Å; L1749-I1760 WeakPolarHBondContact CB-O 3.35Å; L1749-I1760 PolarHBondContact N-O 2.77Å; L1749-N2171 WeakPolarHBondContact CA-ND2 3.34Å; L1749-N2171 VanDerWaalsContact N-CG 3.31Å; L1749-N2171 PolarHBondContact N-ND2 3.25Å; L1749-N2171 PolarHBondContact O-ND2 3.01Å; L1749-N2171 VanDerWaalsContact O-ND2 3.15Å
1750	A	85	Confident	83.2	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164.1	-175.9	0	0	0	0	0	113.4	R1622 I1624 W1648 F1748 I1760	R1622-A1750 HydrophobicContact CB-CB 4.33Å; R1622-A1750 CarbonylContact O-C 3.54Å; R1622-A1750 WeakPolarHBondContact O-CA 3.42Å; R1622-A1750 WeakPolarHBondContact O-CB 3.09Å; I1624-A1750 HydrophobicContact CB-CB 4.26Å; I1624-A1750 HydrophobicContact CD1-CB 3.69Å; I1624-A1750 HydrophobicContact CG1-CB 3.75Å; I1624-A1750 HydrophobicContact CG2-CB 3.6Å; W1648-A1750 HydrophobicContact CH2-CB 4.35Å; W1648-A1750 HydrophobicContact CZ2-CB 4.08Å; F1748-A1750 WeakPolarHBondContact CD2-O 3.32Å; F1748-A1750 VanDerWaalsContact CE2-C 3.44Å; F1748-A1750 WeakPolarHBondContact CE2-O 3.22Å; A1750-I1760 HydrophobicContact CB-CB 3.98Å; A1750-I1760 HydrophobicContact CB-CG1 4.01Å; A1750-I1760 PolarHBondContact N-O 2.81Å; A1750-I1760 WeakPolarHBondContact O-CA 3.47Å; A1750-I1760 WeakPolarHBondContact O-CB 3.19Å; A1750-I1760 WeakPolarHBondContact O-CG1 3.14Å; A1750-I1760 PolarHBondContact O-N 2.73Å
1751	L	86.1	Confident	83.5	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	169.4	-167.1	75.6	0	0	0	108.5	L1621 R1622 I1623 I1624 L1731 A1734 F1748 L1753 L1757 L1759	L1621-L1751 HydrophobicContact CD2-CB 4.15Å; L1621-L1751 HydrophobicContact CD2-CD2 3.84Å; L1621-L1751 HydrophobicContact CG-CB 4.42Å; R1622-L1751 PolarHBondContact O-N 2.72Å; I1623-L1751 CarbonylContact C-O 3.45Å; I1623-L1751 VanDerWaalsContact CA-O 3.27Å; I1623-L1751 WeakPolarHBondContact CA-O 3.42Å; I1624-L1751 PolarHBondContact N-O 3.47Å; L1731-L1751 HydrophobicContact CD2-CD2 4.16Å; A1734-L1751 HydrophobicContact CB-CD1 4.34Å; F1748-L1751 HydrophobicContact CE2-CB 4.35Å; L1751-L1753 HydrophobicContact CD2-CD2 3.91Å; L1751-L1753 HydrophobicContact CG-CD2 4.25Å; L1751-L1757 HydrophobicContact CD1-CD1 3.88Å; L1751-L1757 HydrophobicContact CD2-CD1 3.94Å; L1751-L1757 HydrophobicContact CG-CD1 3.88Å; L1751-L1759 HydrophobicContact CD1-CB 4.03Å; L1751-L1759 HydrophobicContact CD1-CD1 4.26Å; L1751-L1759 HydrophobicContact CD1-CG 4.04Å
1752	C	84.6	Confident	83.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.6	177.8	-162.4	0	0	0	0	110.7	I1624 E1626 L1629 T1754 Q1758 I1760	I1624-C1752 HydrophobicContact CG1-CB 4.12Å; I1624-C1752 WeakPolarHBondContact O-CA 3.1Å; I1624-C1752 PolarHBondContact O-SG 2.82Å; I1624-C1752 VanDerWaalsContact O-SG 3.32Å; E1626-C1752 PolarHBondContact N-SG 3.05Å; L1629-C1752 HydrophobicContact CD1-CB 3.82Å; C1752-T1754 WeakPolarHBondContact SG-CG2 3.48Å; C1752-Q1758 HydrophobicContact CB-CB 3.95Å; C1752-Q1758 HydrophobicContact CB-CG 4.13Å; C1752-Q1758 PolarHBondContact N-O 3.5Å; C1752-Q1758 PolarHBondContact O-N 3.41Å; C1752-I1760 HydrophobicContact CB-CD1 4.17Å; C1752-I1760 HydrophobicContact CB-CG1 4.48Å
1753	L	78.3	Confident	83.4	Confident	99 Å²	99	30.5 Å²	30.5	52%	0.518	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	91	-177.4	-59.5	-177.1	0	0	0	109.5	I1623 L1751 L1757	I1623-L1753 HydrophobicContact CD1-CD1 4.01Å; I1623-L1753 HydrophobicContact CG1-CD1 4.44Å; I1623-L1753 HydrophobicContact CG2-CD1 3.91Å; I1623-L1753 HydrophobicContact CG2-CG 4.05Å; L1751-L1753 HydrophobicContact CD2-CD2 3.91Å; L1751-L1753 HydrophobicContact CG-CD2 4.25Å; L1753-L1757 HydrophobicContact CD2-CD1 3.47Å; L1753-L1757 VanDerWaalsContact CD2-CD1 3.47Å
1754	T	72.4	Confident	83.2	Confident	43 Å²	43	27.5 Å²	27.5	26%	0.264	14%	0.143	S	C	.	.	S	Bend	trans	-116.7	-161.2	178.3	85.4	0	0	0	0	110.2	E1626 C1752 K1756 Q1758	E1626-T1754 HydrophobicContact CB-CG2 3.78Å; E1626-T1754 HydrophobicContact CG-CG2 4.22Å; E1626-T1754 WeakPolarHBondContact OE2-CG2 3.4Å; C1752-T1754 WeakPolarHBondContact SG-CG2 3.48Å; T1754-K1756 PolarHBondContact N-O 3.28Å; T1754-K1756 PolarHBondContact O-N 3.39Å; T1754-K1756 PolarHBondContact OG1-N 3.46Å; T1754-K1756 PolarHBondContact OG1-O 3.25Å; T1754-Q1758 PolarHBondContact OG1-NE2 2.59Å
1755	S	65.3	Low	82.2	Confident	123 Å²	123	27.5 Å²	27.5	86%	0.86	14%	0.143	S	C	*	.	S	Bend	trans	-58.4	-20.3	167.4	51.7	0	0	0	0	112.7
1756	K	72.5	Confident	81.7	Confident	66 Å²	66	27.9 Å²	27.9	29%	0.287	15%	0.145	S	C	.	.	S	Bend	trans	-124.5	140.8	165.8	-61	179.1	-178.6	-179.5	0	109.2	V1717 D1720 T1754 Q1758	V1717-K1756 HydrophobicContact CG1-CB 3.44Å; V1717-K1756 VanDerWaalsContact CG1-CB 3.44Å; V1717-K1756 HydrophobicContact CG1-CD 3.44Å; V1717-K1756 VanDerWaalsContact CG1-CD 3.44Å; V1717-K1756 HydrophobicContact CG1-CG 4.07Å; D1720-K1756 WeakPolarHBondContact OD1-CE 3.44Å; D1720-K1756 IonicContact OD1-NZ 3.32Å; D1720-K1756 PolarHBondContact OD1-NZ 3.11Å; D1720-K1756 IonicContact OD2-NZ 2.59Å; D1720-K1756 PolarHBondContact OD2-NZ 3.43Å; T1754-K1756 PolarHBondContact N-O 3.28Å; T1754-K1756 PolarHBondContact O-N 3.39Å; T1754-K1756 PolarHBondContact OG1-N 3.46Å; T1754-K1756 PolarHBondContact OG1-O 3.25Å; K1756-Q1758 WeakPolarHBondContact O-CG 3.39Å
1757	L	77.8	Confident	81.6	Confident	15 Å²	15	28 Å²	28	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.9	173	173.3	65.9	0	0	0	109.8	V1717 L1718 L1730 L1731 L1751 L1753	V1717-L1757 WeakPolarHBondContact CA-O 3.32Å; L1718-L1757 HydrophobicContact CD1-CB 3.75Å; L1718-L1757 HydrophobicContact CD1-CD2 4.19Å; L1718-L1757 HydrophobicContact CD1-CG 4.29Å; L1718-L1757 PolarHBondContact N-O 3.18Å; L1730-L1757 HydrophobicContact CB-CD2 4.13Å; L1730-L1757 HydrophobicContact CD2-CD2 3.91Å; L1730-L1757 HydrophobicContact CD2-CG 3.98Å; L1730-L1757 HydrophobicContact CG-CD2 4.04Å; L1731-L1757 HydrophobicContact CD1-CD2 4.46Å; L1731-L1757 HydrophobicContact CD2-CD1 4.31Å; L1731-L1757 HydrophobicContact CD2-CD2 3.89Å; L1731-L1757 HydrophobicContact CG-CD2 3.69Å; L1751-L1757 HydrophobicContact CD1-CD1 3.88Å; L1751-L1757 HydrophobicContact CD2-CD1 3.94Å; L1751-L1757 HydrophobicContact CG-CD1 3.88Å; L1753-L1757 HydrophobicContact CD2-CD1 3.47Å; L1753-L1757 VanDerWaalsContact CD2-CD1 3.47Å
1758	Q	86.4	Confident	81.9	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.2	-178.7	-22.7	-178.1	18.6	0	0	112.3	E1626 R1631 I1715 K1716 V1717 C1752 T1754 K1756 I1760	E1626-Q1758 PolarHBondContact OE1-NE2 3.47Å; R1631-Q1758 VanDerWaalsContact NH2-NE2 3.15Å; I1715-Q1758 HydrophobicContact CG2-CB 4.04Å; K1716-Q1758 VanDerWaalsContact O-CA 3.23Å; K1716-Q1758 WeakPolarHBondContact O-CA 2.97Å; V1717-Q1758 HydrophobicContact CG1-CG 4.4Å; V1717-Q1758 HydrophobicContact CG2-CB 4.48Å; V1717-Q1758 HydrophobicContact CG2-CG 4.23Å; C1752-Q1758 HydrophobicContact CB-CB 3.95Å; C1752-Q1758 HydrophobicContact CB-CG 4.13Å; C1752-Q1758 PolarHBondContact N-O 3.5Å; C1752-Q1758 PolarHBondContact O-N 3.41Å; T1754-Q1758 PolarHBondContact OG1-NE2 2.59Å; K1756-Q1758 WeakPolarHBondContact O-CG 3.39Å; Q1758-I1760 HydrophobicContact CB-CD1 4.25Å
1759	L	86.4	Confident	82.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.5	179.6	-163.8	157.2	0	0	0	112.1	I1715 K1716 L1730 A1734 M1737 F1748 L1751 T1761 N2175	I1715-L1759 CarbonylContact C-O 3.47Å; I1715-L1759 WeakPolarHBondContact CA-O 3.44Å; K1716-L1759 HydrophobicContact CB-CB 4.19Å; K1716-L1759 PolarHBondContact N-O 3.09Å; K1716-L1759 PolarHBondContact O-N 3Å; L1730-L1759 HydrophobicContact CD1-CD1 4.39Å; A1734-L1759 HydrophobicContact CB-CD1 3.64Å; M1737-L1759 HydrophobicContact SD-CD1 3.72Å; M1737-L1759 HydrophobicContact SD-CD2 4.07Å; F1748-L1759 HydrophobicContact CB-CD2 3.87Å; F1748-L1759 HydrophobicContact CD1-CD2 3.88Å; F1748-L1759 HydrophobicContact CD1-CG 4.46Å; F1748-L1759 HydrophobicContact CD2-CD2 3.57Å; F1748-L1759 HydrophobicContact CD2-CG 3.99Å; F1748-L1759 HydrophobicContact CE1-CD1 4.24Å; F1748-L1759 HydrophobicContact CE1-CD2 4.29Å; F1748-L1759 HydrophobicContact CE1-CG 4.38Å; F1748-L1759 HydrophobicContact CE2-CD1 4.45Å; F1748-L1759 HydrophobicContact CE2-CD2 3.97Å; F1748-L1759 HydrophobicContact CE2-CG 3.85Å; F1748-L1759 HydrophobicContact CG-CD2 3.58Å; F1748-L1759 HydrophobicContact CG-CG 4.36Å; F1748-L1759 HydrophobicContact CZ-CD1 4.18Å; F1748-L1759 HydrophobicContact CZ-CD2 4.33Å; F1748-L1759 HydrophobicContact CZ-CG 4.08Å; L1751-L1759 HydrophobicContact CD1-CB 4.03Å; L1751-L1759 HydrophobicContact CD1-CD1 4.26Å; L1751-L1759 HydrophobicContact CD1-CG 4.04Å; L1759-T1761 HydrophobicContact CD2-CG2 3.56Å; L1759-N2175 HydrophobicContact CD2-CB 4.07Å
1760	I	87.8	Confident	82.6	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.5	-163	-41.7	-56.6	0	0	0	111.3	I1624 L1629 W1648 V1713 A1714 I1715 F1748 L1749 A1750 C1752 Q1758	I1624-I1760 HydrophobicContact CD1-CG1 3.98Å; I1624-I1760 HydrophobicContact CG1-CG1 4.46Å; L1629-I1760 HydrophobicContact CD1-CD1 3.49Å; L1629-I1760 VanDerWaalsContact CD1-CD1 3.49Å; L1629-I1760 HydrophobicContact CD1-CG1 4.26Å; L1629-I1760 HydrophobicContact CD2-CD1 4.02Å; L1629-I1760 HydrophobicContact CD2-CG1 4.34Å; L1629-I1760 HydrophobicContact CD2-CG2 3.99Å; L1629-I1760 HydrophobicContact CG-CD1 4.4Å; W1648-I1760 HydrophobicContact CB-CG2 4.47Å; V1713-I1760 HydrophobicContact CB-CG2 3.8Å; V1713-I1760 HydrophobicContact CG1-CG2 4Å; V1713-I1760 HydrophobicContact CG2-CG2 3.88Å; A1714-I1760 CarbonylContact O-C 3.53Å; A1714-I1760 WeakPolarHBondContact O-CA 3.49Å; I1715-I1760 HydrophobicContact CB-CD1 3.99Å; I1715-I1760 HydrophobicContact CG1-CD1 4.03Å; I1715-I1760 HydrophobicContact CG2-CD1 3.61Å; F1748-I1760 VanDerWaalsContact CB-O 3.28Å; F1748-I1760 WeakPolarHBondContact CB-O 3.2Å; F1748-I1760 VanDerWaalsContact CD2-O 3.28Å; F1748-I1760 WeakPolarHBondContact CD2-O 3.49Å; L1749-I1760 HydrophobicContact CB-CG2 4.5Å; L1749-I1760 WeakPolarHBondContact CB-O 3.35Å; L1749-I1760 PolarHBondContact N-O 2.77Å; A1750-I1760 HydrophobicContact CB-CB 3.98Å; A1750-I1760 HydrophobicContact CB-CG1 4.01Å; A1750-I1760 PolarHBondContact N-O 2.81Å; A1750-I1760 WeakPolarHBondContact O-CA 3.47Å; A1750-I1760 WeakPolarHBondContact O-CB 3.19Å; A1750-I1760 WeakPolarHBondContact O-CG1 3.14Å; A1750-I1760 PolarHBondContact O-N 2.73Å; C1752-I1760 HydrophobicContact CB-CD1 4.17Å; C1752-I1760 HydrophobicContact CB-CG1 4.48Å; Q1758-I1760 HydrophobicContact CB-CD1 4.25Å
1761	T	88.1	Confident	82.5	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156	-158.9	53.3	0	0	0	0	113.1	V1713 A1714 F1748 L1759 N2173 N2174 N2175	V1713-T1761 CarbonylContact C-O 3.56Å; V1713-T1761 VanDerWaalsContact C-O 3.28Å; V1713-T1761 WeakPolarHBondContact CA-O 3.41Å; V1713-T1761 WeakPolarHBondContact CB-O 3.33Å; A1714-T1761 WeakPolarHBondContact CA-OG1 3.27Å; A1714-T1761 WeakPolarHBondContact CB-OG1 3.24Å; A1714-T1761 PolarHBondContact N-O 2.72Å; A1714-T1761 PolarHBondContact N-OG1 3.14Å; A1714-T1761 PolarHBondContact O-N 3.11Å; A1714-T1761 PolarHBondContact O-OG1 2.69Å; F1748-T1761 HydrophobicContact CB-CG2 3.99Å; L1759-T1761 HydrophobicContact CD2-CG2 3.56Å; T1761-N2173 WeakPolarHBondContact CA-OD1 3.31Å; T1761-N2173 WeakPolarHBondContact CB-OD1 3.32Å; T1761-N2173 HydrophobicContact CG2-CB 4.18Å; T1761-N2173 WeakPolarHBondContact CG2-OD1 3.25Å; T1761-N2174 WeakPolarHBondContact CB-OD1 3.38Å; T1761-N2175 HydrophobicContact CG2-CB 3.61Å; T1761-N2175 PolarHBondContact OG1-O 2.72Å
1762	Q	83.5	Confident	82.6	Confident	44 Å²	44	23.2 Å²	23.2	21%	0.206	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	136.7	173.3	112.1	-160.4	19.5	0	0	111.1	V1746 R1747 L1764 N2173 N2174 Y2176	V1746-Q1762 VanDerWaalsContact CG1-CD 3.44Å; V1746-Q1762 HydrophobicContact CG1-CG 3.75Å; R1747-Q1762 PolarHBondContact O-N 3Å; Q1762-L1764 HydrophobicContact CG-CD2 4.48Å; Q1762-L1764 HydrophobicContact CG-CG 4.35Å; Q1762-N2173 WeakPolarHBondContact CA-ND2 3.13Å; Q1762-N2173 VanDerWaalsContact CB-ND2 3.33Å; Q1762-N2173 WeakPolarHBondContact CB-ND2 3.22Å; Q1762-N2173 WeakPolarHBondContact CG-ND2 3.08Å; Q1762-N2173 PolarHBondContact N-ND2 3.47Å; Q1762-N2173 PolarHBondContact N-OD1 2.86Å; Q1762-N2173 VanDerWaalsContact N-OD1 3.11Å; Q1762-N2173 PolarHBondContact O-ND2 2.99Å; Q1762-N2174 PolarHBondContact O-OD1 2.96Å; Q1762-Y2176 WeakPolarHBondContact O-CE2 3.34Å; Q1762-Y2176 PolarHBondContact O-OH 3.11Å
1763	Y	84.7	Confident	82.8	Confident	19 Å²	19	23.2 Å²	23.2	8%	0.075	13%	0.131	C	C	.	.			trans	-85.1	132.3	176	-162.7	-151.9	0	0	0	111.5	I1635 C1645 P1712 C1977 W2032 Y2176	I1635-Y1763 HydrophobicContact CD1-CE2 4.13Å; C1645-Y1763 HydrophobicContact CB-CD1 3.97Å; C1645-Y1763 HydrophobicContact CB-CD2 3.77Å; C1645-Y1763 HydrophobicContact CB-CE1 3.77Å; C1645-Y1763 HydrophobicContact CB-CE2 3.6Å; C1645-Y1763 HydrophobicContact CB-CG 3.98Å; C1645-Y1763 WeakPolarHBondContact SG-CE1 3.27Å; C1645-Y1763 PolarHBondContact SG-OH 3.04Å; P1712-Y1763 HydrophobicContact CB-CD1 4.45Å; P1712-Y1763 WeakPolarHBondContact O-CB 3.37Å; P1712-Y1763 PolarHBondContact O-N 2.81Å; Y1763-C1977 PolarHBondContact OH-SG 2.77Å; Y1763-C1977 VanDerWaalsContact OH-SG 3.35Å; Y1763-W2032 VanDerWaalsContact C-NE1 3.35Å; Y1763-W2032 HydrophobicContact CD1-CD2 4.46Å; Y1763-W2032 AromaticContact CD1-CE2 3.58Å; Y1763-W2032 AromaticContact CD1-CH2 3.8Å; Y1763-W2032 HydrophobicContact CD1-CH2 3.8Å; Y1763-W2032 AromaticContact CD1-CZ2 3.19Å; Y1763-W2032 HydrophobicContact CD1-CZ2 3.19Å; Y1763-W2032 AromaticContact CD1-NE1 3.99Å; Y1763-W2032 AromaticContact CD2-CZ2 3.82Å; Y1763-W2032 HydrophobicContact CD2-CZ2 3.82Å; Y1763-W2032 AromaticContact CE1-CE2 3.82Å; Y1763-W2032 AromaticContact CE1-CH2 3.11Å; Y1763-W2032 HydrophobicContact CE1-CH2 3.11Å; Y1763-W2032 AromaticContact CE1-CZ2 3Å; Y1763-W2032 HydrophobicContact CE1-CZ2 3Å; Y1763-W2032 AromaticContact CE1-CZ3 3.93Å; Y1763-W2032 HydrophobicContact CE1-CZ3 3.93Å; Y1763-W2032 HydrophobicContact CE2-CH2 4.09Å; Y1763-W2032 AromaticContact CE2-CZ2 3.64Å; Y1763-W2032 HydrophobicContact CE2-CZ2 3.64Å; Y1763-W2032 AromaticContact CG-CE2 3.97Å; Y1763-W2032 AromaticContact CG-CZ2 3.6Å; Y1763-W2032 HydrophobicContact CG-CZ2 3.6Å; Y1763-W2032 AromaticContact CZ-CH2 3.28Å; Y1763-W2032 AromaticContact CZ-CZ2 3.23Å; Y1763-W2032 PolarHBondContact O-NE1 3.25Å; Y1763-W2032 WeakPolarHBondContact OH-CH2 3.39Å; Y1763-Y2176 VanDerWaalsContact CA-OH 3.24Å; Y1763-Y2176 WeakPolarHBondContact CA-OH 3.39Å; Y1763-Y2176 HydrophobicContact CD2-CE1 4.3Å; Y1763-Y2176 AromaticContact CD2-CZ 3.91Å
1764	L	83.2	Confident	83	Confident	5 Å²	5	19.6 Å²	19.6	3%	0.026	11%	0.111	C	C	.	.			trans	-118.9	135	-178	-81.5	-173.8	0	0	0	109.7	V1746 Q1762 L1815 Q1817 Q1823 W2032 Y2176	V1746-L1764 HydrophobicContact CB-CD1 4.44Å; V1746-L1764 HydrophobicContact CG1-CD1 3.65Å; V1746-L1764 HydrophobicContact CG1-CG 4.04Å; V1746-L1764 HydrophobicContact CG2-CD1 3.83Å; Q1762-L1764 HydrophobicContact CG-CD2 4.48Å; Q1762-L1764 HydrophobicContact CG-CG 4.35Å; L1764-L1815 HydrophobicContact CB-CD1 4.19Å; L1764-L1815 HydrophobicContact CD1-CB 3.54Å; L1764-L1815 HydrophobicContact CD1-CD1 4.21Å; L1764-L1815 HydrophobicContact CD1-CG 4.42Å; L1764-Q1817 HydrophobicContact CD2-CB 3.69Å; L1764-Q1817 HydrophobicContact CD2-CG 3.7Å; L1764-Q1823 HydrophobicContact CD1-CB 4.36Å; L1764-W2032 WeakPolarHBondContact O-CZ2 3.13Å; L1764-Y2176 PolarHBondContact N-OH 2.87Å
1765	P	71.3	Confident	83	Confident	7 Å²	7	18.6 Å²	18.6	5%	0.045	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-49.1	-166.4	23.9	-29.9	0	0	0	113.9	G1767 Q1817 W2032 L2036	P1765-G1767 PolarHBondContact O-N 2.82Å; P1765-G1767 VanDerWaalsContact O-N 3.08Å; P1765-Q1817 WeakPolarHBondContact CG-O 3.41Å; P1765-W2032 HydrophobicContact CB-CD2 3.82Å; P1765-W2032 HydrophobicContact CB-CE3 4.33Å; P1765-W2032 HydrophobicContact CB-CG 4.08Å; P1765-W2032 HydrophobicContact CB-CH2 4.49Å; P1765-W2032 HydrophobicContact CB-CZ2 4.07Å; P1765-W2032 WeakPolarHBondContact CB-O 3.07Å; P1765-W2032 HydrophobicContact CG-CG 4.45Å; P1765-L2036 HydrophobicContact CB-CB 3.6Å; P1765-L2036 HydrophobicContact CB-CD1 3.83Å; P1765-L2036 HydrophobicContact CB-CG 3.68Å; P1765-L2036 WeakPolarHBondContact O-CD1 3.39Å; P1765-L2036 WeakPolarHBondContact O-CG 3.34Å
1766	L	80.2	Confident	83.4	Confident	10 Å²	10	13.1 Å²	13.1	5%	0.052	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	18.3	-160.2	-70.8	167.6	0	0	0	113.8	F1772 V1816 L2036 N2039	L1766-F1772 HydrophobicContact CB-CD2 3.94Å; L1766-F1772 HydrophobicContact CB-CE2 4.25Å; L1766-F1772 HydrophobicContact CD1-CE2 4.11Å; L1766-F1772 HydrophobicContact CD2-CD2 4.02Å; L1766-F1772 HydrophobicContact CD2-CE2 3.72Å; L1766-F1772 HydrophobicContact CG-CD2 4.42Å; L1766-F1772 HydrophobicContact CG-CE2 4.25Å; L1766-V1816 HydrophobicContact CB-CB 3.54Å; L1766-V1816 HydrophobicContact CB-CG1 3.68Å; L1766-V1816 WeakPolarHBondContact CB-O 3.13Å; L1766-V1816 HydrophobicContact CD1-CB 4.46Å; L1766-V1816 HydrophobicContact CD1-CG1 3.68Å; L1766-V1816 HydrophobicContact CG-CG1 4.33Å; L1766-V1816 PolarHBondContact N-O 2.9Å; L1766-L2036 HydrophobicContact CD2-CB 4.35Å; L1766-L2036 HydrophobicContact CD2-CD2 4.09Å; L1766-L2036 HydrophobicContact CD2-CG 4.03Å; L1766-L2036 WeakPolarHBondContact CD2-O 3.39Å; L1766-N2039 HydrophobicContact CD1-CB 3.88Å
1767	G	85.6	Confident	83.5	Confident	4 Å²	4	12.5 Å²	12.5	4%	0.041	6%	0.06	C	C	.	.			trans	66.9	-153	177.6	0	0	0	0	0	113.6	P1765 L1815 V1816	P1765-G1767 PolarHBondContact O-N 2.82Å; P1765-G1767 VanDerWaalsContact O-N 3.08Å; G1767-L1815 VanDerWaalsContact O-CA 3.26Å; G1767-L1815 WeakPolarHBondContact O-CA 3.41Å; G1767-L1815 WeakPolarHBondContact O-CB 3.32Å; G1767-V1816 PolarHBondContact O-N 3.05Å
1768	S	90.1	Very high	82.9	Confident	19 Å²	19	13.3 Å²	13.3	13%	0.133	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-79.3	155.2	171.4	74.8	0	0	0	0	111.1	L1770 E1771 F1772 R1812 V1814	S1768-L1770 VanDerWaalsContact C-N 3.29Å; S1768-L1770 PolarHBondContact O-N 3.26Å; S1768-E1771 PolarHBondContact O-N 2.81Å; S1768-E1771 WeakPolarHBondContact OG-CB 3.38Å; S1768-E1771 PolarHBondContact OG-N 3.23Å; S1768-E1771 VanDerWaalsContact OG-N 3.17Å; S1768-F1772 WeakPolarHBondContact O-CB 3.14Å; S1768-F1772 PolarHBondContact O-N 3.45Å; S1768-R1812 VanDerWaalsContact CB-O 3.31Å; S1768-R1812 WeakPolarHBondContact CB-O 3.24Å; S1768-V1814 CarbonylContact C-O 3.34Å; S1768-V1814 VanDerWaalsContact CA-O 3.31Å; S1768-V1814 WeakPolarHBondContact CA-O 3.49Å
1769	L	92.5	Very high	82	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.5	-36.4	176.5	-177.8	61.3	0	0	0	110.7	E1771 F1772 I1773 W1788 I1792 A1811 V1814 V1816 V1822 M1878	L1769-E1771 PolarHBondContact O-N 3.33Å; L1769-F1772 HydrophobicContact CD1-CD1 4.44Å; L1769-F1772 PolarHBondContact O-N 2.82Å; L1769-I1773 HydrophobicContact CD1-CG2 3.76Å; L1769-I1773 HydrophobicContact CG-CG2 4.2Å; L1769-I1773 VanDerWaalsContact O-CG1 3.3Å; L1769-I1773 WeakPolarHBondContact O-CG1 3.49Å; L1769-I1773 WeakPolarHBondContact O-CG2 3Å; L1769-I1773 PolarHBondContact O-N 2.93Å; L1769-W1788 HydrophobicContact CD1-CD2 4.01Å; L1769-W1788 HydrophobicContact CD1-CE3 3.72Å; L1769-W1788 HydrophobicContact CD1-CH2 4.45Å; L1769-W1788 HydrophobicContact CD1-CZ3 3.96Å; L1769-W1788 HydrophobicContact CD2-CB 4.49Å; L1769-I1792 HydrophobicContact CD2-CD1 3.99Å; L1769-A1811 WeakPolarHBondContact CB-O 3.47Å; L1769-A1811 PolarHBondContact N-O 3.25Å; L1769-V1814 HydrophobicContact CB-CB 4Å; L1769-V1814 HydrophobicContact CB-CG1 4.07Å; L1769-V1814 HydrophobicContact CD2-CB 4.31Å; L1769-V1814 HydrophobicContact CD2-CG1 4.04Å; L1769-V1814 PolarHBondContact N-O 2.9Å; L1769-V1816 HydrophobicContact CB-CG2 3.95Å; L1769-V1816 HydrophobicContact CD1-CG2 3.73Å; L1769-V1816 HydrophobicContact CG-CG2 4.46Å; L1769-V1822 HydrophobicContact CD1-CG1 4.27Å; L1769-M1878 HydrophobicContact CD2-CG 3.96Å; L1769-M1878 HydrophobicContact CD2-SD 3.86Å
1770	L	92	Very high	81.8	Confident	16 Å²	16	17.1 Å²	17.1	8%	0.084	8%	0.081	C	C	.	.	H	α-helix	trans	-57.5	-46.6	172.9	-179.5	63.9	0	0	0	112.1	S1768 I1773 K1774 A1811 R1812	S1768-L1770 VanDerWaalsContact C-N 3.29Å; S1768-L1770 PolarHBondContact O-N 3.26Å; L1770-I1773 WeakPolarHBondContact O-CG1 3.38Å; L1770-K1774 HydrophobicContact CG-CD 4.43Å; L1770-K1774 VanDerWaalsContact O-CG 3.27Å; L1770-K1774 WeakPolarHBondContact O-CG 3.47Å; L1770-K1774 PolarHBondContact O-N 3.1Å; L1770-A1811 HydrophobicContact CB-CB 3.87Å; L1770-A1811 HydrophobicContact CD1-CB 4.29Å; L1770-A1811 PolarHBondContact N-O 2.88Å; L1770-R1812 HydrophobicContact CB-CB 4.21Å; L1770-R1812 HydrophobicContact CD2-CB 3.95Å
1771	E	84.7	Confident	81.5	Confident	7 Å²	7	20.2 Å²	20.2	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-71.7	-43.7	179.7	-169.3	58	-161.9	0	0	110.5	S1768 L1769 I1773 K1774 I1775 N1969 E2182	S1768-E1771 PolarHBondContact O-N 2.81Å; S1768-E1771 WeakPolarHBondContact OG-CB 3.38Å; S1768-E1771 PolarHBondContact OG-N 3.23Å; S1768-E1771 VanDerWaalsContact OG-N 3.17Å; L1769-E1771 PolarHBondContact O-N 3.33Å; E1771-I1773 PolarHBondContact O-N 2.87Å; E1771-K1774 PolarHBondContact O-N 2.97Å; E1771-I1775 HydrophobicContact CG-CD1 3.75Å; E1771-I1775 HydrophobicContact CG-CG1 4.45Å; E1771-I1775 WeakPolarHBondContact O-CD1 3.09Å; E1771-I1775 WeakPolarHBondContact O-CG1 3.44Å; E1771-I1775 PolarHBondContact O-N 3.32Å; E1771-I1775 WeakPolarHBondContact OE1-CD1 3.15Å; E1771-N1969 WeakPolarHBondContact OE1-CB 3.35Å; E1771-E2182 VanDerWaalsContact OE2-CD 3.23Å; E1771-E2182 WeakPolarHBondContact OE2-CG 3.34Å
1772	F	86.7	Confident	81.4	Confident	10 Å²	10	20.7 Å²	20.7	4%	0.044	10%	0.099	C	C	.	.	H	α-helix	trans	-56.4	-47.6	174.8	-174.1	-96.7	0	0	0	112	L1766 S1768 L1769 K1774 I1775 R1776 W1788 V1816	L1766-F1772 HydrophobicContact CB-CD2 3.94Å; L1766-F1772 HydrophobicContact CB-CE2 4.25Å; L1766-F1772 HydrophobicContact CD1-CE2 4.11Å; L1766-F1772 HydrophobicContact CD2-CD2 4.02Å; L1766-F1772 HydrophobicContact CD2-CE2 3.72Å; L1766-F1772 HydrophobicContact CG-CD2 4.42Å; L1766-F1772 HydrophobicContact CG-CE2 4.25Å; S1768-F1772 WeakPolarHBondContact O-CB 3.14Å; S1768-F1772 PolarHBondContact O-N 3.45Å; L1769-F1772 HydrophobicContact CD1-CD1 4.44Å; L1769-F1772 PolarHBondContact O-N 2.82Å; F1772-K1774 PolarHBondContact O-N 3.47Å; F1772-I1775 PolarHBondContact O-N 3.01Å; F1772-R1776 HydrophobicContact CD1-CB 4.38Å; F1772-R1776 HydrophobicContact CD1-CG 4.43Å; F1772-R1776 HydrophobicContact CD2-CG 3.73Å; F1772-R1776 HydrophobicContact CE1-CB 4.15Å; F1772-R1776 HydrophobicContact CE1-CG 4.32Å; F1772-R1776 HydrophobicContact CE2-CB 4.3Å; F1772-R1776 HydrophobicContact CE2-CG 3.6Å; F1772-R1776 HydrophobicContact CG-CG 4.15Å; F1772-R1776 HydrophobicContact CZ-CB 4.11Å; F1772-R1776 HydrophobicContact CZ-CG 3.92Å; F1772-R1776 WeakPolarHBondContact O-CA 3.43Å; F1772-R1776 WeakPolarHBondContact O-CB 3.27Å; F1772-R1776 WeakPolarHBondContact O-CG 3.34Å; F1772-R1776 PolarHBondContact O-N 2.89Å; F1772-W1788 HydrophobicContact CD1-CH2 4.03Å; F1772-W1788 HydrophobicContact CD1-CZ2 4.35Å; F1772-W1788 AromaticContact CE1-CH2 3.67Å; F1772-W1788 HydrophobicContact CE1-CH2 3.67Å; F1772-W1788 AromaticContact CE1-CZ2 3.81Å; F1772-W1788 HydrophobicContact CE1-CZ2 3.81Å; F1772-V1816 HydrophobicContact CB-CG2 3.81Å; F1772-V1816 HydrophobicContact CD1-CG1 4.47Å; F1772-V1816 HydrophobicContact CD1-CG2 4.26Å; F1772-V1816 HydrophobicContact CD2-CG1 4.41Å; F1772-V1816 HydrophobicContact CG-CB 4.46Å; F1772-V1816 HydrophobicContact CG-CG1 4.38Å; F1772-V1816 HydrophobicContact CG-CG2 3.99Å
1773	I	88.6	Confident	81.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.9	-35.7	-179.6	67.7	-175.1	0	0	0	112.8	L1769 L1770 E1771 R1776 W1777 I1780 W1788 E1877	L1769-I1773 HydrophobicContact CD1-CG2 3.76Å; L1769-I1773 HydrophobicContact CG-CG2 4.2Å; L1769-I1773 VanDerWaalsContact O-CG1 3.3Å; L1769-I1773 WeakPolarHBondContact O-CG1 3.49Å; L1769-I1773 WeakPolarHBondContact O-CG2 3Å; L1769-I1773 PolarHBondContact O-N 2.93Å; L1770-I1773 WeakPolarHBondContact O-CG1 3.38Å; E1771-I1773 PolarHBondContact O-N 2.87Å; I1773-R1776 PolarHBondContact O-N 3.17Å; I1773-W1777 WeakPolarHBondContact O-CA 3.24Å; I1773-W1777 WeakPolarHBondContact O-CB 3.36Å; I1773-W1777 PolarHBondContact O-N 3.45Å; I1773-I1780 HydrophobicContact CB-CD1 3.71Å; I1773-I1780 HydrophobicContact CG2-CD1 3.58Å; I1773-W1788 HydrophobicContact CG2-CZ3 3.83Å; I1773-E1877 VanDerWaalsContact CD1-O 3.31Å; I1773-E1877 WeakPolarHBondContact CD1-O 3.49Å
1774	K	83.5	Confident	81.7	Confident	23 Å²	23	21.9 Å²	21.9	10%	0.1	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-42.9	176.1	-77.9	175.6	178.2	-173.1	0	112.7	L1770 E1771 F1772 G1882 T1966 E2182	L1770-K1774 HydrophobicContact CG-CD 4.43Å; L1770-K1774 VanDerWaalsContact O-CG 3.27Å; L1770-K1774 WeakPolarHBondContact O-CG 3.47Å; L1770-K1774 PolarHBondContact O-N 3.1Å; E1771-K1774 PolarHBondContact O-N 2.97Å; F1772-K1774 PolarHBondContact O-N 3.47Å; K1774-G1882 WeakPolarHBondContact CE-O 3.3Å; K1774-T1966 HydrophobicContact CB-CG2 4.45Å; K1774-T1966 WeakPolarHBondContact O-CG2 3.34Å; K1774-E2182 IonicContact NZ-OE2 2.88Å; K1774-E2182 PolarHBondContact NZ-OE2 3.4Å
1775	I	72.4	Confident	82.1	Confident	21 Å²	21	21.7 Å²	21.7	11%	0.108	11%	0.107	C	C	.	.	H	α-helix	trans	-78.8	-35.4	179.9	-48.1	161.7	0	0	0	110.4	E1771 F1772 A1970	E1771-I1775 HydrophobicContact CG-CD1 3.75Å; E1771-I1775 HydrophobicContact CG-CG1 4.45Å; E1771-I1775 WeakPolarHBondContact O-CD1 3.09Å; E1771-I1775 WeakPolarHBondContact O-CG1 3.44Å; E1771-I1775 PolarHBondContact O-N 3.32Å; E1771-I1775 WeakPolarHBondContact OE1-CD1 3.15Å; F1772-I1775 PolarHBondContact O-N 3.01Å; I1775-A1970 HydrophobicContact CB-CB 4.36Å; I1775-A1970 HydrophobicContact CD1-CB 3.54Å; I1775-A1970 HydrophobicContact CG1-CB 3.74Å; I1775-A1970 HydrophobicContact CG2-CB 3.6Å
1776	R	73.5	Confident	83	Confident	9 Å²	9	21.3 Å²	21.3	3%	0.034	11%	0.105	C	C	.	.	H	α-helix	trans	-111.4	14.9	-164.2	-50	-35	-160.1	147.7	20.5	115.1	S148 F1772 I1773 D1778 F1779 I1780 S2040 R2041 I2042	S148-R1776 PolarHBondContact OG-NH1 2.85Å; F1772-R1776 HydrophobicContact CD1-CB 4.38Å; F1772-R1776 HydrophobicContact CD1-CG 4.43Å; F1772-R1776 HydrophobicContact CD2-CG 3.73Å; F1772-R1776 HydrophobicContact CE1-CB 4.15Å; F1772-R1776 HydrophobicContact CE1-CG 4.32Å; F1772-R1776 HydrophobicContact CE2-CB 4.3Å; F1772-R1776 HydrophobicContact CE2-CG 3.6Å; F1772-R1776 HydrophobicContact CG-CG 4.15Å; F1772-R1776 HydrophobicContact CZ-CB 4.11Å; F1772-R1776 HydrophobicContact CZ-CG 3.92Å; F1772-R1776 WeakPolarHBondContact O-CA 3.43Å; F1772-R1776 WeakPolarHBondContact O-CB 3.27Å; F1772-R1776 WeakPolarHBondContact O-CG 3.34Å; F1772-R1776 PolarHBondContact O-N 2.89Å; I1773-R1776 PolarHBondContact O-N 3.17Å; R1776-D1778 PolarHBondContact O-N 2.94Å; R1776-F1779 CarbonylContact O-C 3.33Å; R1776-F1779 WeakPolarHBondContact O-CA 3.36Å; R1776-F1779 PolarHBondContact O-N 3.02Å; R1776-I1780 WeakPolarHBondContact O-CG1 3.23Å; R1776-I1780 PolarHBondContact O-N 2.87Å; R1776-S2040 WeakPolarHBondContact CD-O 3.31Å; R1776-S2040 PolarHBondContact NE-O 2.95Å; R1776-S2040 PolarHBondContact NH1-O 2.79Å; R1776-S2040 VanDerWaalsContact NH1-O 3.13Å; R1776-S2040 PolarHBondContact NH2-O 2.9Å; R1776-S2040 PolarHBondContact NH2-OG 3.21Å; R1776-R2041 VanDerWaalsContact NH1-C 3.28Å; R1776-R2041 PolarHBondContact NH1-O 3.06Å; R1776-I2042 VanDerWaalsContact NH2-CD1 3.29Å
1777	W	75.2	Confident	83.4	Confident	52 Å²	52	23 Å²	23	20%	0.197	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-51.6	-32.5	-176.8	68.5	-95.7	0	0	0	113.5	I1773 F1779 I1780 F1881 R1957 F1961	I1773-W1777 WeakPolarHBondContact O-CA 3.24Å; I1773-W1777 WeakPolarHBondContact O-CB 3.36Å; I1773-W1777 PolarHBondContact O-N 3.45Å; W1777-F1779 VanDerWaalsContact C-N 3.3Å; W1777-F1779 PolarHBondContact O-N 2.97Å; W1777-I1780 PolarHBondContact O-N 3.19Å; W1777-F1881 HydrophobicContact CB-CB 3.9Å; W1777-F1881 HydrophobicContact CB-CD1 4.04Å; W1777-F1881 HydrophobicContact CB-CD2 4.29Å; W1777-F1881 HydrophobicContact CB-CG 3.82Å; W1777-R1957 HydrophobicContact CH2-CB 4.29Å; W1777-R1957 WeakPolarHBondContact CH2-O 3.35Å; W1777-R1957 HydrophobicContact CZ3-CB 3.82Å; W1777-R1957 HydrophobicContact CZ3-CG 3.94Å; W1777-F1961 HydrophobicContact CH2-CE2 4.27Å; W1777-F1961 HydrophobicContact CZ2-CD2 4.5Å; W1777-F1961 AromaticContact CZ2-CE2 3.97Å; W1777-F1961 HydrophobicContact CZ2-CE2 3.97Å
1778	D	63.8	Low	83.9	Confident	32 Å²	32	22.9 Å²	22.9	17%	0.171	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-71.3	-24	178	70.8	-37.8	0	0	0	113.3	R1776 R1957 R2041	R1776-D1778 PolarHBondContact O-N 2.94Å; D1778-R1957 PolarHBondContact O-NH1 2.99Å; D1778-R2041 PolarHBondContact O-NH1 2.92Å
1779	F	68.6	Low	84.1	Confident	80 Å²	80	22 Å²	22	35%	0.351	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-95	-4.4	173.7	-100.4	-96.4	0	0	0	115.1	R1776 W1777 E1781 R2041	R1776-F1779 CarbonylContact O-C 3.33Å; R1776-F1779 WeakPolarHBondContact O-CA 3.36Å; R1776-F1779 PolarHBondContact O-N 3.02Å; W1777-F1779 VanDerWaalsContact C-N 3.3Å; W1777-F1779 PolarHBondContact O-N 2.97Å; F1779-E1781 PolarHBondContact O-N 2.69Å; F1779-R2041 HydrophobicContact CB-CB 4.24Å; F1779-R2041 HydrophobicContact CB-CG 3.62Å; F1779-R2041 HydrophobicContact CD1-CB 3.79Å; F1779-R2041 HydrophobicContact CD1-CG 2.31Å; F1779-R2041 HydrophobicContact CD2-CB 2.67Å; F1779-R2041 HydrophobicContact CD2-CG 2.31Å; F1779-R2041 HydrophobicContact CE1-CB 3.86Å; F1779-R2041 HydrophobicContact CE1-CG 2.31Å; F1779-R2041 HydrophobicContact CE2-CB 2.78Å; F1779-R2041 HydrophobicContact CE2-CG 2.31Å; F1779-R2041 HydrophobicContact CG-CB 3.23Å; F1779-R2041 HydrophobicContact CG-CG 2.31Å; F1779-R2041 HydrophobicContact CZ-CB 3.41Å; F1779-R2041 VanDerWaalsContact CZ-CB 3.41Å; F1779-R2041 HydrophobicContact CZ-CG 2.31Å
1780	I	80.9	Confident	84.1	Confident	1 Å²	1	23 Å²	23	1%	0.005	11%	0.109	C	C	.	.			trans	-72.8	125.3	171.8	-58	178.7	0	0	0	109.5	I1773 R1776 W1777 L1785 W1788 F1881 I1952 R1957	I1773-I1780 HydrophobicContact CB-CD1 3.71Å; I1773-I1780 HydrophobicContact CG2-CD1 3.58Å; R1776-I1780 WeakPolarHBondContact O-CG1 3.23Å; R1776-I1780 PolarHBondContact O-N 2.87Å; W1777-I1780 PolarHBondContact O-N 3.19Å; I1780-L1785 HydrophobicContact CG2-CD1 4.09Å; I1780-L1785 HydrophobicContact CG2-CD2 3.81Å; I1780-L1785 HydrophobicContact CG2-CG 3.58Å; I1780-W1788 HydrophobicContact CD1-CH2 4.33Å; I1780-W1788 HydrophobicContact CD1-CZ3 4.07Å; I1780-W1788 HydrophobicContact CG1-CH2 3.99Å; I1780-W1788 HydrophobicContact CG1-CZ3 4.17Å; I1780-W1788 HydrophobicContact CG2-CH2 4.43Å; I1780-W1788 HydrophobicContact CG2-CZ3 4.22Å; I1780-F1881 HydrophobicContact CB-CE1 4.22Å; I1780-F1881 HydrophobicContact CD1-CD1 3.67Å; I1780-F1881 HydrophobicContact CD1-CE1 3.9Å; I1780-F1881 HydrophobicContact CG2-CE1 4.16Å; I1780-I1952 HydrophobicContact CG2-CD1 4.39Å; I1780-R1957 PolarHBondContact O-NH2 2.99Å
1781	E	83.1	Confident	84.2	Confident	65 Å²	65	23.2 Å²	23.2	30%	0.304	11%	0.11	S	C	.	.			trans	-100.1	151.7	164.2	-74.7	140.4	-135.3	0	0	109.1	F1779 N1783 S1784 L1785 K1819 R2041	F1779-E1781 PolarHBondContact O-N 2.69Å; E1781-N1783 PolarHBondContact O-N 3.29Å; E1781-N1783 VanDerWaalsContact O-N 3.15Å; E1781-S1784 WeakPolarHBondContact O-CB 3.31Å; E1781-S1784 PolarHBondContact O-N 3.46Å; E1781-L1785 PolarHBondContact O-N 3.05Å; E1781-K1819 IonicContact OE1-NZ 3.69Å; E1781-K1819 PolarHBondContact OE1-NZ 3.28Å; E1781-K1819 IonicContact OE2-NZ 2.81Å; E1781-K1819 PolarHBondContact OE2-NZ 3.39Å; E1781-R2041 IonicContact OE1-CZ 2.64Å; E1781-R2041 IonicContact OE1-NH2 2.87Å; E1781-R2041 PolarHBondContact OE1-NH2 2.95Å
1782	V	85.6	Confident	84.8	Confident	11 Å²	11	22.9 Å²	22.9	7%	0.067	11%	0.108	C	C	.	.	H	α-helix	trans	-50.4	-38.9	174.9	159	0	0	0	0	111.9	S1784 L1785 F1786 P1946 L1950 I1952	V1782-S1784 VanDerWaalsContact C-N 3.32Å; V1782-S1784 PolarHBondContact O-N 3.38Å; V1782-L1785 PolarHBondContact O-N 3.06Å; V1782-F1786 HydrophobicContact CG1-CD2 4.14Å; V1782-F1786 HydrophobicContact CG1-CE2 4.32Å; V1782-F1786 PolarHBondContact O-N 3.29Å; V1782-F1786 VanDerWaalsContact O-N 3.14Å; V1782-P1946 HydrophobicContact CG1-CB 3.84Å; V1782-L1950 HydrophobicContact CB-CB 4.45Å; V1782-L1950 HydrophobicContact CG1-CB 3.8Å; V1782-L1950 HydrophobicContact CG2-CB 4.08Å; V1782-I1952 HydrophobicContact CG2-CD1 4.03Å; V1782-I1952 HydrophobicContact CG2-CG1 3.87Å
1783	N	85.5	Confident	85.2	Confident	83 Å²	83	22.4 Å²	22.4	44%	0.444	11%	0.106	S	C	.	.	H	α-helix	trans	-61.4	-37.3	176.8	-63.2	-5.6	0	0	0	112.8	E1781 F1786 Q1787 P1946	E1781-N1783 PolarHBondContact O-N 3.29Å; E1781-N1783 VanDerWaalsContact O-N 3.15Å; N1783-F1786 PolarHBondContact O-N 3.35Å; N1783-Q1787 VanDerWaalsContact O-CB 3.31Å; N1783-Q1787 WeakPolarHBondContact O-CB 3.43Å; N1783-Q1787 PolarHBondContact O-N 3.23Å; N1783-P1946 WeakPolarHBondContact OD1-CG 3.47Å
1784	S	88.9	Confident	85.5	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-68.4	-40.9	177.6	-58.7	0	0	0	0	111.4	E1781 V1782 F1786 Q1787 W1788 K1819	E1781-S1784 WeakPolarHBondContact O-CB 3.31Å; E1781-S1784 PolarHBondContact O-N 3.46Å; V1782-S1784 VanDerWaalsContact C-N 3.32Å; V1782-S1784 PolarHBondContact O-N 3.38Å; S1784-F1786 VanDerWaalsContact C-N 3.34Å; S1784-F1786 PolarHBondContact O-N 3.05Å; S1784-Q1787 PolarHBondContact O-N 3.32Å; S1784-W1788 WeakPolarHBondContact O-CB 3.43Å; S1784-W1788 PolarHBondContact O-N 2.79Å; S1784-K1819 WeakPolarHBondContact OG-CE 3.3Å
1785	L	91.1	Very high	86	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-58.2	-46	173.3	-67.8	174.3	0	0	0	111.3	I1780 E1781 V1782 W1788 S1789 M1878 F1881 L1950 I1952	I1780-L1785 HydrophobicContact CG2-CD1 4.09Å; I1780-L1785 HydrophobicContact CG2-CD2 3.81Å; I1780-L1785 HydrophobicContact CG2-CG 3.58Å; E1781-L1785 PolarHBondContact O-N 3.05Å; V1782-L1785 PolarHBondContact O-N 3.06Å; L1785-W1788 HydrophobicContact CD2-CE3 4.22Å; L1785-W1788 HydrophobicContact CD2-CZ3 4.18Å; L1785-S1789 WeakPolarHBondContact O-CB 3.48Å; L1785-S1789 PolarHBondContact O-N 3.42Å; L1785-S1789 PolarHBondContact O-OG 3.47Å; L1785-M1878 HydrophobicContact CD2-CB 4.17Å; L1785-M1878 WeakPolarHBondContact O-CE 3.45Å; L1785-F1881 HydrophobicContact CD1-CE1 4.44Å; L1785-L1950 HydrophobicContact CB-CD1 3.65Å; L1785-L1950 HydrophobicContact CD1-CD1 4.04Å; L1785-I1952 HydrophobicContact CD1-CD1 4.47Å
1786	F	90	Very high	87.1	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.3	-49.8	174.7	-94.1	-72	0	0	0	112.8	V1782 N1783 S1784 W1788 S1789 E1790 F1914 L1939 M1942 K1943 P1946 Y1949 L1950	V1782-F1786 HydrophobicContact CG1-CD2 4.14Å; V1782-F1786 HydrophobicContact CG1-CE2 4.32Å; V1782-F1786 PolarHBondContact O-N 3.29Å; V1782-F1786 VanDerWaalsContact O-N 3.14Å; N1783-F1786 PolarHBondContact O-N 3.35Å; S1784-F1786 VanDerWaalsContact C-N 3.34Å; S1784-F1786 PolarHBondContact O-N 3.05Å; F1786-W1788 PolarHBondContact O-N 3.49Å; F1786-S1789 WeakPolarHBondContact O-CB 3.45Å; F1786-S1789 PolarHBondContact O-N 3.03Å; F1786-E1790 WeakPolarHBondContact O-CB 3.33Å; F1786-E1790 PolarHBondContact O-N 3.06Å; F1786-F1914 HydrophobicContact CD1-CE2 4.36Å; F1786-F1914 AromaticContact CE1-CD2 3.97Å; F1786-F1914 HydrophobicContact CE1-CD2 3.97Å; F1786-F1914 AromaticContact CE1-CE2 3.54Å; F1786-F1914 HydrophobicContact CE1-CE2 3.54Å; F1786-F1914 HydrophobicContact CE2-CE2 4.45Å; F1786-F1914 AromaticContact CZ-CD2 3.67Å; F1786-F1914 HydrophobicContact CZ-CD2 3.67Å; F1786-F1914 AromaticContact CZ-CE2 3.58Å; F1786-F1914 HydrophobicContact CZ-CE2 3.58Å; F1786-L1939 HydrophobicContact CD1-CD2 4.24Å; F1786-L1939 HydrophobicContact CE1-CD2 4.02Å; F1786-M1942 HydrophobicContact CD1-CB 4.48Å; F1786-M1942 HydrophobicContact CE1-CB 3.44Å; F1786-M1942 VanDerWaalsContact CE1-CB 3.44Å; F1786-M1942 HydrophobicContact CZ-CB 3.76Å; F1786-K1943 HydrophobicContact CB-CB 4.29Å; F1786-K1943 HydrophobicContact CB-CD 4.44Å; F1786-K1943 HydrophobicContact CB-CG 4.18Å; F1786-K1943 HydrophobicContact CD1-CB 3.92Å; F1786-K1943 HydrophobicContact CG-CB 4.18Å; F1786-P1946 HydrophobicContact CD2-CB 3.52Å; F1786-P1946 HydrophobicContact CE2-CB 3.72Å; F1786-P1946 HydrophobicContact CG-CB 4.34Å; F1786-Y1949 HydrophobicContact CZ-CG 4.36Å; F1786-L1950 HydrophobicContact CD2-CD1 3.8Å; F1786-L1950 HydrophobicContact CD2-CG 4.36Å; F1786-L1950 HydrophobicContact CE2-CB 4.09Å; F1786-L1950 HydrophobicContact CE2-CD1 3.61Å; F1786-L1950 HydrophobicContact CE2-CG 3.69Å; F1786-L1950 HydrophobicContact CZ-CD1 4.25Å; F1786-L1950 HydrophobicContact CZ-CG 4.19Å
1787	Q	90.3	Very high	88.1	Confident	45 Å²	45	22.1 Å²	22.1	21%	0.21	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-38.5	-177.6	-176.4	163.9	-26.2	0	0	112.8	N1783 S1784 Q1791 D1820	N1783-Q1787 VanDerWaalsContact O-CB 3.31Å; N1783-Q1787 WeakPolarHBondContact O-CB 3.43Å; N1783-Q1787 PolarHBondContact O-N 3.23Å; S1784-Q1787 PolarHBondContact O-N 3.32Å; Q1787-Q1791 WeakPolarHBondContact O-CB 3.29Å; Q1787-Q1791 WeakPolarHBondContact O-CG 3.42Å; Q1787-Q1791 PolarHBondContact O-N 3.27Å; Q1787-D1820 VanDerWaalsContact NE2-CA 3.29Å; Q1787-D1820 PolarHBondContact NE2-O 2.85Å
1788	W	94.7	Very high	89	Confident	1 Å²	1	19.8 Å²	19.8	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-39.5	173.6	-56.7	-22.9	0	0	0	111.8	L1769 F1772 I1773 I1780 S1784 L1785 F1786 E1790 Q1791 I1792 K1819 V1822 M1878	L1769-W1788 HydrophobicContact CD1-CD2 4.01Å; L1769-W1788 HydrophobicContact CD1-CE3 3.72Å; L1769-W1788 HydrophobicContact CD1-CH2 4.45Å; L1769-W1788 HydrophobicContact CD1-CZ3 3.96Å; L1769-W1788 HydrophobicContact CD2-CB 4.49Å; F1772-W1788 HydrophobicContact CD1-CH2 4.03Å; F1772-W1788 HydrophobicContact CD1-CZ2 4.35Å; F1772-W1788 AromaticContact CE1-CH2 3.67Å; F1772-W1788 HydrophobicContact CE1-CH2 3.67Å; F1772-W1788 AromaticContact CE1-CZ2 3.81Å; F1772-W1788 HydrophobicContact CE1-CZ2 3.81Å; I1773-W1788 HydrophobicContact CG2-CZ3 3.83Å; I1780-W1788 HydrophobicContact CD1-CH2 4.33Å; I1780-W1788 HydrophobicContact CD1-CZ3 4.07Å; I1780-W1788 HydrophobicContact CG1-CH2 3.99Å; I1780-W1788 HydrophobicContact CG1-CZ3 4.17Å; I1780-W1788 HydrophobicContact CG2-CH2 4.43Å; I1780-W1788 HydrophobicContact CG2-CZ3 4.22Å; S1784-W1788 WeakPolarHBondContact O-CB 3.43Å; S1784-W1788 PolarHBondContact O-N 2.79Å; L1785-W1788 HydrophobicContact CD2-CE3 4.22Å; L1785-W1788 HydrophobicContact CD2-CZ3 4.18Å; F1786-W1788 PolarHBondContact O-N 3.49Å; W1788-E1790 PolarHBondContact O-N 3.36Å; W1788-Q1791 PolarHBondContact O-N 3.5Å; W1788-I1792 WeakPolarHBondContact O-CB 3.46Å; W1788-I1792 WeakPolarHBondContact O-CD1 3.37Å; W1788-I1792 WeakPolarHBondContact O-CG1 3.36Å; W1788-I1792 PolarHBondContact O-N 3.35Å; W1788-K1819 PolarHBondContact NE1-O 3.36Å; W1788-V1822 HydrophobicContact CB-CG1 4.31Å; W1788-V1822 HydrophobicContact CB-CG2 3.99Å; W1788-V1822 VanDerWaalsContact CD1-CG1 3.44Å; W1788-V1822 HydrophobicContact CD2-CG1 4.33Å; W1788-V1822 HydrophobicContact CG-CG1 3.77Å; W1788-V1822 HydrophobicContact CG-CG2 4.26Å; W1788-M1878 HydrophobicContact CB-CE 3.75Å; W1788-M1878 HydrophobicContact CE3-CE 4.48Å
1789	S	94.5	Very high	90.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-49.5	177.2	-57.5	0	0	0	0	110.9	L1785 F1786 A1793 Y1871 L1875 M1878	L1785-S1789 WeakPolarHBondContact O-CB 3.48Å; L1785-S1789 PolarHBondContact O-N 3.42Å; L1785-S1789 PolarHBondContact O-OG 3.47Å; F1786-S1789 WeakPolarHBondContact O-CB 3.45Å; F1786-S1789 PolarHBondContact O-N 3.03Å; S1789-A1793 WeakPolarHBondContact O-CB 3.48Å; S1789-A1793 PolarHBondContact O-N 3.27Å; S1789-Y1871 PolarHBondContact O-OH 3.02Å; S1789-L1875 VanDerWaalsContact OG-CD2 3.27Å; S1789-L1875 WeakPolarHBondContact OG-CD2 3.38Å; S1789-M1878 WeakPolarHBondContact OG-CE 2.94Å
1790	E	92.4	Very high	91.3	Very high	21 Å²	21	16.6 Å²	16.6	10%	0.098	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-46.7	175.3	177.2	-167.5	122.3	0	0	112.4	F1786 W1788 I1792 A1793 S1794 K1943	F1786-E1790 WeakPolarHBondContact O-CB 3.33Å; F1786-E1790 PolarHBondContact O-N 3.06Å; W1788-E1790 PolarHBondContact O-N 3.36Å; E1790-I1792 PolarHBondContact O-N 3.12Å; E1790-A1793 PolarHBondContact O-N 2.73Å; E1790-S1794 WeakPolarHBondContact O-CB 3.41Å; E1790-S1794 PolarHBondContact O-N 2.98Å; E1790-K1943 IonicContact OE1-NZ 2.65Å; E1790-K1943 PolarHBondContact OE1-NZ 3.01Å; E1790-K1943 WeakPolarHBondContact OE2-CD 3.36Å; E1790-K1943 WeakPolarHBondContact OE2-CE 3.45Å; E1790-K1943 IonicContact OE2-NZ 3.74Å; E1790-K1943 PolarHBondContact OE2-NZ 3.37Å
1791	Q	94.7	Very high	91.6	Very high	21 Å²	21	20.6 Å²	20.6	10%	0.098	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-39.9	-179.8	-77.2	173.6	-0.6	0	0	112.7	C1744 Q1787 W1788 S1794 G1795 D1820 Q1821 V1822	C1744-Q1791 WeakPolarHBondContact CB-O 3.05Å; Q1787-Q1791 WeakPolarHBondContact O-CB 3.29Å; Q1787-Q1791 WeakPolarHBondContact O-CG 3.42Å; Q1787-Q1791 PolarHBondContact O-N 3.27Å; W1788-Q1791 PolarHBondContact O-N 3.5Å; Q1791-S1794 PolarHBondContact O-N 2.98Å; Q1791-G1795 PolarHBondContact O-N 3.19Å; Q1791-D1820 PolarHBondContact NE2-O 2.93Å; Q1791-Q1821 VanDerWaalsContact OE1-CA 3.32Å; Q1791-V1822 HydrophobicContact CB-CG2 3.87Å
1792	I	96.8	Very high	91.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-44	173.9	-62.1	160.3	0	0	0	109.8	L1769 W1788 E1790 S1794 G1795 M1796 L1809 V1814 V1822 I1824 Y1871 T1874 M1878	L1769-I1792 HydrophobicContact CD2-CD1 3.99Å; W1788-I1792 WeakPolarHBondContact O-CB 3.46Å; W1788-I1792 WeakPolarHBondContact O-CD1 3.37Å; W1788-I1792 WeakPolarHBondContact O-CG1 3.36Å; W1788-I1792 PolarHBondContact O-N 3.35Å; E1790-I1792 PolarHBondContact O-N 3.12Å; I1792-S1794 PolarHBondContact O-N 2.99Å; I1792-G1795 PolarHBondContact O-N 3.41Å; I1792-M1796 WeakPolarHBondContact O-CG 3.21Å; I1792-M1796 PolarHBondContact O-N 3.32Å; I1792-L1809 HydrophobicContact CG2-CD1 4.16Å; I1792-L1809 HydrophobicContact CG2-CD2 4.31Å; I1792-V1814 HydrophobicContact CD1-CG1 4.15Å; I1792-V1814 HydrophobicContact CD1-CG2 3.9Å; I1792-V1814 HydrophobicContact CG1-CG1 4.05Å; I1792-V1814 HydrophobicContact CG1-CG2 3.92Å; I1792-V1814 HydrophobicContact CG2-CG2 4.47Å; I1792-V1822 HydrophobicContact CD1-CG2 4.5Å; I1792-V1822 HydrophobicContact CG1-CG2 4.03Å; I1792-I1824 HydrophobicContact CG2-CD1 4.22Å; I1792-Y1871 HydrophobicContact CB-CD2 4.47Å; I1792-Y1871 HydrophobicContact CB-CE2 3.96Å; I1792-Y1871 HydrophobicContact CG2-CD2 3.69Å; I1792-Y1871 HydrophobicContact CG2-CE2 3.68Å; I1792-T1874 HydrophobicContact CD1-CG2 4.32Å; I1792-M1878 HydrophobicContact CD1-SD 3.72Å
1793	A	95.9	Very high	91.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-46.2	174.5	0	0	0	0	0	111.6	S1789 E1790 G1795 M1796 I1797 Y1871 C1936	S1789-A1793 WeakPolarHBondContact O-CB 3.48Å; S1789-A1793 PolarHBondContact O-N 3.27Å; E1790-A1793 PolarHBondContact O-N 2.73Å; A1793-G1795 PolarHBondContact O-N 3.3Å; A1793-M1796 CarbonylContact O-C 3.46Å; A1793-M1796 PolarHBondContact O-N 3.21Å; A1793-I1797 WeakPolarHBondContact O-CG1 3.46Å; A1793-I1797 PolarHBondContact O-N 3.09Å; A1793-Y1871 HydrophobicContact CB-CE2 4.2Å; A1793-C1936 HydrophobicContact CB-CB 3.95Å
1794	S	94.9	Very high	91.5	Very high	7 Å²	7	15.9 Å²	15.9	5%	0.049	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-41.2	178.6	-158.8	0	0	0	0	112.3	E1790 Q1791 I1792 M1796 I1797 Y1798 T2161 T2162	E1790-S1794 WeakPolarHBondContact O-CB 3.41Å; E1790-S1794 PolarHBondContact O-N 2.98Å; Q1791-S1794 PolarHBondContact O-N 2.98Å; I1792-S1794 PolarHBondContact O-N 2.99Å; S1794-M1796 VanDerWaalsContact C-N 3.32Å; S1794-M1796 PolarHBondContact O-N 3.27Å; S1794-I1797 PolarHBondContact O-N 2.82Å; S1794-Y1798 PolarHBondContact O-N 3.03Å; S1794-Y1798 VanDerWaalsContact O-N 3.11Å; S1794-T2161 PolarHBondContact OG-O 2.86Å; S1794-T2162 PolarHBondContact OG-N 3.08Å
1795	G	94.2	Very high	91.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-37.2	171.2	0	0	0	0	0	113.3	Q1791 I1792 A1793 Y1798 L1799	Q1791-G1795 PolarHBondContact O-N 3.19Å; I1792-G1795 PolarHBondContact O-N 3.41Å; A1793-G1795 PolarHBondContact O-N 3.3Å; G1795-Y1798 WeakPolarHBondContact O-CB 3.49Å; G1795-Y1798 PolarHBondContact O-N 2.79Å; G1795-L1799 WeakPolarHBondContact O-CG 3.46Å; G1795-L1799 PolarHBondContact O-N 2.94Å
1796	M	95.5	Very high	91.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-79.9	-30.7	178	-68.6	-56.2	-52.6	0	0	114.3	I1792 A1793 S1794 Y1798 L1799 S1800 H1806 L1809 I1824 D1867 F1932	I1792-M1796 WeakPolarHBondContact O-CG 3.21Å; I1792-M1796 PolarHBondContact O-N 3.32Å; A1793-M1796 CarbonylContact O-C 3.46Å; A1793-M1796 PolarHBondContact O-N 3.21Å; S1794-M1796 VanDerWaalsContact C-N 3.32Å; S1794-M1796 PolarHBondContact O-N 3.27Å; M1796-Y1798 PolarHBondContact O-N 3.43Å; M1796-L1799 HydrophobicContact CE-CD1 4.48Å; M1796-L1799 PolarHBondContact O-N 2.79Å; M1796-L1799 HydrophobicContact SD-CD1 3.81Å; M1796-S1800 VanDerWaalsContact O-CB 3.27Å; M1796-S1800 WeakPolarHBondContact O-CB 3.28Å; M1796-S1800 PolarHBondContact O-N 3.47Å; M1796-H1806 HydrophobicContact CE-CB 4.05Å; M1796-H1806 HydrophobicContact SD-CB 4.37Å; M1796-L1809 HydrophobicContact CE-CD2 4.45Å; M1796-L1809 HydrophobicContact CG-CD2 3.74Å; M1796-L1809 HydrophobicContact SD-CD1 4.17Å; M1796-L1809 HydrophobicContact SD-CD2 3.89Å; M1796-I1824 HydrophobicContact CG-CD1 3.83Å; M1796-I1824 HydrophobicContact SD-CD1 3.84Å; M1796-D1867 HydrophobicContact CE-CB 3.65Å; M1796-F1932 HydrophobicContact CB-CB 4.39Å; M1796-F1932 HydrophobicContact CB-CD1 3.42Å; M1796-F1932 VanDerWaalsContact CB-CD1 3.42Å; M1796-F1932 HydrophobicContact CB-CD2 3.73Å; M1796-F1932 HydrophobicContact CB-CE1 3.37Å; M1796-F1932 HydrophobicContact CB-CE2 3.7Å; M1796-F1932 HydrophobicContact CB-CG 3.58Å; M1796-F1932 HydrophobicContact CB-CZ 3.52Å; M1796-F1932 HydrophobicContact CE-CE2 3.75Å; M1796-F1932 HydrophobicContact CE-CZ 3.75Å; M1796-F1932 HydrophobicContact CG-CD1 4.25Å; M1796-F1932 HydrophobicContact CG-CE1 3.74Å; M1796-F1932 HydrophobicContact CG-CE2 4.35Å; M1796-F1932 HydrophobicContact CG-CZ 3.79Å
1797	I	94.3	Very high	91.4	Very high	39 Å²	39	16.7 Å²	16.7	20%	0.2	10%	0.098	C	C	.	.	H	α-helix	trans	-53.6	-49.1	163.9	-68.4	172.5	0	0	0	108.2	A1793 S1794 S1800 S1801 F1932 K1933 C1936	A1793-I1797 WeakPolarHBondContact O-CG1 3.46Å; A1793-I1797 PolarHBondContact O-N 3.09Å; S1794-I1797 PolarHBondContact O-N 2.82Å; I1797-S1800 PolarHBondContact O-N 3.35Å; I1797-S1801 WeakPolarHBondContact O-CB 3.37Å; I1797-S1801 PolarHBondContact O-N 2.9Å; I1797-F1932 HydrophobicContact CB-CB 4.48Å; I1797-F1932 VanDerWaalsContact CG1-C 3.49Å; I1797-F1932 HydrophobicContact CG1-CB 3.67Å; I1797-F1932 WeakPolarHBondContact CG1-O 2.97Å; I1797-K1933 HydrophobicContact CD1-CB 4.38Å; I1797-K1933 HydrophobicContact CG1-CB 4.5Å; I1797-C1936 HydrophobicContact CD1-CB 3.7Å
1798	Y	93.3	Very high	91.4	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-55.3	-178.9	171.5	-131.8	0	0	0	111.8	V1740 D1741 H1742 S1794 G1795 M1796 S1800 S1801 R1802 N2164	V1740-Y1798 WeakPolarHBondContact CA-OH 3.33Å; V1740-Y1798 HydrophobicContact CB-CE1 4.23Å; V1740-Y1798 HydrophobicContact CG1-CD1 4.11Å; V1740-Y1798 HydrophobicContact CG1-CE1 3.41Å; V1740-Y1798 VanDerWaalsContact CG1-CE1 3.41Å; D1741-Y1798 PolarHBondContact N-OH 2.9Å; H1742-Y1798 HydrophobicContact CB-CD1 3.24Å; H1742-Y1798 HydrophobicContact CB-CE1 3.37Å; H1742-Y1798 HydrophobicContact CB-CG 4.07Å; H1742-Y1798 AromaticContact CG-CD1 3.58Å; H1742-Y1798 AromaticContact CG-CG 3.99Å; S1794-Y1798 PolarHBondContact O-N 3.03Å; S1794-Y1798 VanDerWaalsContact O-N 3.11Å; G1795-Y1798 WeakPolarHBondContact O-CB 3.49Å; G1795-Y1798 PolarHBondContact O-N 2.79Å; M1796-Y1798 PolarHBondContact O-N 3.43Å; Y1798-S1800 VanDerWaalsContact C-N 3.34Å; Y1798-S1800 PolarHBondContact O-N 2.81Å; Y1798-S1801 WeakPolarHBondContact O-CB 3.5Å; Y1798-S1801 PolarHBondContact O-N 3.36Å; Y1798-S1801 PolarHBondContact O-OG 3.47Å; Y1798-R1802 HydrophobicContact CD2-CG 3.82Å; Y1798-R1802 HydrophobicContact CE2-CG 3.31Å; Y1798-R1802 WeakPolarHBondContact O-CG 3.36Å; Y1798-R1802 PolarHBondContact O-N 3.47Å; Y1798-R1802 VanDerWaalsContact O-N 3.14Å; Y1798-N2164 WeakPolarHBondContact CE2-O 3.39Å; Y1798-N2164 PolarHBondContact OH-O 3.33Å
1799	L	91.1	Very high	91.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-57.8	-44.4	179.5	-66.6	174.5	0	0	0	112.3	V1740 G1795 M1796 S1801 R1802 G1803 I1804 I1824 F1827	V1740-L1799 HydrophobicContact CG1-CD2 3.79Å; V1740-L1799 HydrophobicContact CG2-CD2 3.87Å; G1795-L1799 WeakPolarHBondContact O-CG 3.46Å; G1795-L1799 PolarHBondContact O-N 2.94Å; M1796-L1799 HydrophobicContact CE-CD1 4.48Å; M1796-L1799 PolarHBondContact O-N 2.79Å; M1796-L1799 HydrophobicContact SD-CD1 3.81Å; L1799-S1801 VanDerWaalsContact C-N 3.32Å; L1799-S1801 PolarHBondContact O-N 2.86Å; L1799-R1802 PolarHBondContact O-N 2.76Å; L1799-G1803 PolarHBondContact O-N 3.4Å; L1799-I1804 CarbonylContact C-O 3.46Å; L1799-I1804 HydrophobicContact CB-CB 4.26Å; L1799-I1804 HydrophobicContact CD2-CB 4.3Å; L1799-I1804 HydrophobicContact CD2-CD1 3.87Å; L1799-I1804 HydrophobicContact CD2-CG2 4.25Å; L1799-I1804 PolarHBondContact O-N 2.65Å; L1799-I1824 HydrophobicContact CD1-CG2 4.41Å; L1799-F1827 HydrophobicContact CD1-CE1 3.67Å; L1799-F1827 HydrophobicContact CD1-CZ 4.01Å; L1799-F1827 HydrophobicContact CD2-CE1 3.64Å; L1799-F1827 HydrophobicContact CD2-CZ 4.17Å; L1799-F1827 HydrophobicContact CG-CE1 4.33Å
1800	S	89.8	Confident	91.4	Very high	45 Å²	45	15.2 Å²	15.2	32%	0.315	9%	0.092	S	C	.	.	H	α-helix	trans	-62.1	-37.3	175.2	-174.2	0	0	0	0	112.4	M1796 I1797 Y1798 R1802 G1803 S1864	M1796-S1800 VanDerWaalsContact O-CB 3.27Å; M1796-S1800 WeakPolarHBondContact O-CB 3.28Å; M1796-S1800 PolarHBondContact O-N 3.47Å; I1797-S1800 PolarHBondContact O-N 3.35Å; Y1798-S1800 VanDerWaalsContact C-N 3.34Å; Y1798-S1800 PolarHBondContact O-N 2.81Å; S1800-R1802 PolarHBondContact O-N 2.91Å; S1800-G1803 PolarHBondContact O-N 3.01Å; S1800-S1864 WeakPolarHBondContact OG-CB 3.45Å; S1800-S1864 PolarHBondContact OG-OG 3.42Å
1801	S	87.2	Confident	91.5	Very high	84 Å²	84	14.2 Å²	14.2	59%	0.587	9%	0.087	S	C	*	.	H	α-helix	trans	-68.2	-19.7	176.3	78.7	0	0	0	0	113.5	I1797 Y1798 L1799	I1797-S1801 WeakPolarHBondContact O-CB 3.37Å; I1797-S1801 PolarHBondContact O-N 2.9Å; Y1798-S1801 WeakPolarHBondContact O-CB 3.5Å; Y1798-S1801 PolarHBondContact O-N 3.36Å; Y1798-S1801 PolarHBondContact O-OG 3.47Å; L1799-S1801 VanDerWaalsContact C-N 3.32Å; L1799-S1801 PolarHBondContact O-N 2.86Å
1802	R	84	Confident	91.4	Very high	34 Å²	34	16.7 Å²	16.7	13%	0.128	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-1.6	175.8	-61.1	-66.8	-76.2	104.6	5.1	113.3	T1739 Y1798 L1799 S1800 I1804 T2165 T2166	T1739-R1802 PolarHBondContact O-NE 3.33Å; T1739-R1802 PolarHBondContact O-NH2 3.33Å; Y1798-R1802 HydrophobicContact CD2-CG 3.82Å; Y1798-R1802 HydrophobicContact CE2-CG 3.31Å; Y1798-R1802 WeakPolarHBondContact O-CG 3.36Å; Y1798-R1802 PolarHBondContact O-N 3.47Å; Y1798-R1802 VanDerWaalsContact O-N 3.14Å; L1799-R1802 PolarHBondContact O-N 2.76Å; S1800-R1802 PolarHBondContact O-N 2.91Å; R1802-I1804 VanDerWaalsContact C-N 3.31Å; R1802-I1804 HydrophobicContact CB-CD1 3.7Å; R1802-I1804 HydrophobicContact CB-CG1 3.87Å; R1802-T2165 PolarHBondContact NE-O 3.33Å; R1802-T2165 PolarHBondContact NH2-O 2.98Å; R1802-T2166 PolarHBondContact NH2-O 2.55Å
1803	G	82.6	Confident	91.2	Very high	24 Å²	24	17.2 Å²	17.2	25%	0.247	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	25	-173.6	0	0	0	0	0	113.1	L1799 S1800 L1833	L1799-G1803 PolarHBondContact O-N 3.4Å; S1800-G1803 PolarHBondContact O-N 3.01Å; G1803-L1833 WeakPolarHBondContact O-CB 3.48Å; G1803-L1833 PolarHBondContact O-N 2.97Å
1804	I	86.1	Confident	91.1	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.1	179.7	-54.1	168.1	0	0	0	108.2	V1736 T1739 V1740 L1799 R1802 A1830 K1831	V1736-I1804 HydrophobicContact CG1-CG2 3.7Å; T1739-I1804 WeakPolarHBondContact OG1-CD1 3.37Å; V1740-I1804 HydrophobicContact CG2-CD1 3.54Å; L1799-I1804 CarbonylContact C-O 3.46Å; L1799-I1804 HydrophobicContact CB-CB 4.26Å; L1799-I1804 HydrophobicContact CD2-CB 4.3Å; L1799-I1804 HydrophobicContact CD2-CD1 3.87Å; L1799-I1804 HydrophobicContact CD2-CG2 4.25Å; L1799-I1804 PolarHBondContact O-N 2.65Å; R1802-I1804 VanDerWaalsContact C-N 3.31Å; R1802-I1804 HydrophobicContact CB-CD1 3.7Å; R1802-I1804 HydrophobicContact CB-CG1 3.87Å; I1804-A1830 HydrophobicContact CG2-CB 4.35Å; I1804-K1831 WeakPolarHBondContact CA-O 3.26Å
1805	I	88.5	Confident	91	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.5	166.6	-46.6	159.1	0	0	0	107.4	R1807 A1830 K1831 L1833 F1862 S1863 D1867	I1805-R1807 HydrophobicContact CB-CG 4.03Å; I1805-R1807 HydrophobicContact CG2-CG 3.57Å; I1805-A1830 CarbonylContact O-C 3.25Å; I1805-A1830 WeakPolarHBondContact O-CA 3.45Å; I1805-A1830 WeakPolarHBondContact O-CB 3.31Å; I1805-K1831 PolarHBondContact N-O 3.36Å; I1805-K1831 PolarHBondContact O-N 3.32Å; I1805-L1833 HydrophobicContact CD1-CD1 3.84Å; I1805-L1833 HydrophobicContact CD1-CD2 3.84Å; I1805-L1833 HydrophobicContact CD1-CG 3.93Å; I1805-L1833 HydrophobicContact CG1-CD1 3.91Å; I1805-L1833 HydrophobicContact CG1-CG 4.25Å; I1805-F1862 HydrophobicContact CD1-CB 4.26Å; I1805-F1862 VanDerWaalsContact CD1-O 3.27Å; I1805-F1862 WeakPolarHBondContact CD1-O 3.47Å; I1805-F1862 HydrophobicContact CG2-CB 4.25Å; I1805-S1863 WeakPolarHBondContact CG2-O 3.2Å; I1805-D1867 WeakPolarHBondContact CA-OD2 3.41Å; I1805-D1867 VanDerWaalsContact CG2-OD2 3.22Å; I1805-D1867 WeakPolarHBondContact CG2-OD2 3.49Å
1806	H	90.6	Very high	90.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.			trans	-77.6	-41.2	-178	-170.1	-25.6	0	0	0	112.3	M1796 D1808 I1824 T1825 D1826 A1830 D1867	M1796-H1806 HydrophobicContact CE-CB 4.05Å; M1796-H1806 HydrophobicContact SD-CB 4.37Å; H1806-D1808 PolarHBondContact O-N 3.48Å; H1806-I1824 VanDerWaalsContact CD2-CG2 3.43Å; H1806-I1824 WeakPolarHBondContact CD2-CG2 3.48Å; H1806-I1824 WeakPolarHBondContact NE2-CG2 3.44Å; H1806-T1825 PolarHBondContact CE1-O 3.5Å; H1806-T1825 PolarHBondContact NE2-O 3.4Å; H1806-D1826 PolarHBondContact CE1-O 3.08Å; H1806-A1830 WeakPolarHBondContact O-CA 3.43Å; H1806-D1867 PolarHBondContact N-OD2 2.9Å
1807	R	88.7	Confident	90.3	Very high	21 Å²	21	21 Å²	21	8%	0.079	12%	0.115	C	C	.	.	S	Bend	trans	64.7	-0.2	176.2	-51.8	-177.6	51.4	-121.1	0.5	116.5	I1805 L1829 F1862 D1867	I1805-R1807 HydrophobicContact CB-CG 4.03Å; I1805-R1807 HydrophobicContact CG2-CG 3.57Å; R1807-L1829 HydrophobicContact CB-CB 4.25Å; R1807-L1829 VanDerWaalsContact CD-O 3.3Å; R1807-L1829 WeakPolarHBondContact CD-O 3.28Å; R1807-L1829 PolarHBondContact NH1-O 2.03Å; R1807-F1862 HydrophobicContact CB-CD1 3.78Å; R1807-F1862 HydrophobicContact CB-CE1 4.03Å; R1807-F1862 HydrophobicContact CG-CB 4.02Å; R1807-F1862 HydrophobicContact CG-CD1 3.53Å; R1807-F1862 HydrophobicContact CG-CE1 4.24Å; R1807-F1862 HydrophobicContact CG-CG 3.95Å; R1807-D1867 PolarHBondContact N-OD1 3Å
1808	D	90.2	Very high	89.8	Confident	16 Å²	16	20.1 Å²	20.1	9%	0.086	11%	0.113	C	C	.	.			trans	-154.2	49.8	172.9	-163.5	18.1	0	0	0	112.7	H1806 R1812 N1813 L1829 P1848	H1806-D1808 PolarHBondContact O-N 3.48Å; D1808-R1812 IonicContact OD1-CZ 2.81Å; D1808-R1812 IonicContact OD1-NH1 3.37Å; D1808-R1812 IonicContact OD1-NH2 2.75Å; D1808-R1812 PolarHBondContact OD1-NH2 2.95Å; D1808-R1812 IonicContact OD2-CZ 2.68Å; D1808-R1812 IonicContact OD2-NH2 3.68Å; D1808-R1812 PolarHBondContact OD2-NH2 3.34Å; D1808-N1813 WeakPolarHBondContact O-CB 3.21Å; D1808-N1813 PolarHBondContact O-ND2 3.33Å; D1808-N1813 PolarHBondContact OD2-ND2 2.89Å; D1808-N1813 VanDerWaalsContact OD2-ND2 3.13Å; D1808-L1829 HydrophobicContact CB-CD1 4.25Å; D1808-P1848 HydrophobicContact CB-CG 4.06Å; D1808-P1848 WeakPolarHBondContact OD1-CB 3.48Å; D1808-P1848 WeakPolarHBondContact OD1-CG 3.12Å
1809	L	93.8	Very high	89.1	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.			trans	-75.4	126.6	172.2	-175.4	67.2	0	0	0	110	I1792 M1796 V1814 I1824 A1870 Y1871	I1792-L1809 HydrophobicContact CG2-CD1 4.16Å; I1792-L1809 HydrophobicContact CG2-CD2 4.31Å; M1796-L1809 HydrophobicContact CE-CD2 4.45Å; M1796-L1809 HydrophobicContact CG-CD2 3.74Å; M1796-L1809 HydrophobicContact SD-CD1 4.17Å; M1796-L1809 HydrophobicContact SD-CD2 3.89Å; L1809-V1814 HydrophobicContact CD1-CG2 4.38Å; L1809-I1824 HydrophobicContact CD1-CD1 4.43Å; L1809-I1824 HydrophobicContact CD1-CG2 4.27Å; L1809-A1870 HydrophobicContact CB-CB 4.16Å; L1809-Y1871 HydrophobicContact CD2-CD2 4.15Å; L1809-Y1871 HydrophobicContact CD2-CG 4.49Å
1810	A	95	Very high	88.8	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.			trans	-161.4	162.8	-177	0	0	0	0	0	109.8	R1812 N1813 V1814 W1851 T1874	A1810-R1812 HydrophobicContact CB-CG 3.97Å; A1810-R1812 VanDerWaalsContact CB-NH1 3.26Å; A1810-R1812 PolarHBondContact O-N 3.38Å; A1810-N1813 CarbonylContact O-C 3.1Å; A1810-N1813 WeakPolarHBondContact O-CA 3.4Å; A1810-N1813 PolarHBondContact O-N 2.65Å; A1810-V1814 PolarHBondContact O-N 3.39Å; A1810-W1851 HydrophobicContact CB-CD2 4.3Å; A1810-W1851 HydrophobicContact CB-CG 4.19Å; A1810-W1851 HydrophobicContact CB-CZ2 4.49Å; A1810-W1851 VanDerWaalsContact CB-NE1 3.29Å; A1810-T1874 WeakPolarHBondContact CA-OG1 3.32Å
1811	A	94.8	Very high	88.7	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28.8	177.7	0	0	0	0	0	113.2	L1769 L1770 N1813 T1874 E1877	L1769-A1811 WeakPolarHBondContact CB-O 3.47Å; L1769-A1811 PolarHBondContact N-O 3.25Å; L1770-A1811 HydrophobicContact CB-CB 3.87Å; L1770-A1811 HydrophobicContact CD1-CB 4.29Å; L1770-A1811 PolarHBondContact N-O 2.88Å; A1811-N1813 VanDerWaalsContact C-N 3.29Å; A1811-N1813 PolarHBondContact O-N 3.46Å; A1811-T1874 HydrophobicContact CB-CG2 4.42Å; A1811-E1877 HydrophobicContact CB-CB 3.82Å; A1811-E1877 HydrophobicContact CB-CG 4.44Å; A1811-E1877 PolarHBondContact N-OE2 3.14Å
1812	R	91.8	Very high	89.1	Confident	72 Å²	72	22 Å²	22	27%	0.272	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-69.7	-25.8	171.8	67.8	176.3	-166.1	-75.4	-5	113.4	S1768 L1770 D1808 A1810 V1814 W1851	S1768-R1812 VanDerWaalsContact CB-O 3.31Å; S1768-R1812 WeakPolarHBondContact CB-O 3.24Å; L1770-R1812 HydrophobicContact CB-CB 4.21Å; L1770-R1812 HydrophobicContact CD2-CB 3.95Å; D1808-R1812 IonicContact OD1-CZ 2.81Å; D1808-R1812 IonicContact OD1-NH1 3.37Å; D1808-R1812 IonicContact OD1-NH2 2.75Å; D1808-R1812 PolarHBondContact OD1-NH2 2.95Å; D1808-R1812 IonicContact OD2-CZ 2.68Å; D1808-R1812 IonicContact OD2-NH2 3.68Å; D1808-R1812 PolarHBondContact OD2-NH2 3.34Å; A1810-R1812 HydrophobicContact CB-CG 3.97Å; A1810-R1812 VanDerWaalsContact CB-NH1 3.26Å; A1810-R1812 PolarHBondContact O-N 3.38Å; R1812-V1814 VanDerWaalsContact C-N 3.35Å; R1812-W1851 VanDerWaalsContact NH1-CZ2 3.3Å
1813	N	92.6	Very high	89.5	Confident	13 Å²	13	21.1 Å²	21.1	7%	0.07	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-101.4	24.4	-178.5	-72.3	-1.7	0	0	0	112.1	D1808 A1810 A1811 T1825	D1808-N1813 WeakPolarHBondContact O-CB 3.21Å; D1808-N1813 PolarHBondContact O-ND2 3.33Å; D1808-N1813 PolarHBondContact OD2-ND2 2.89Å; D1808-N1813 VanDerWaalsContact OD2-ND2 3.13Å; A1810-N1813 CarbonylContact O-C 3.1Å; A1810-N1813 WeakPolarHBondContact O-CA 3.4Å; A1810-N1813 PolarHBondContact O-N 2.65Å; A1811-N1813 VanDerWaalsContact C-N 3.29Å; A1811-N1813 PolarHBondContact O-N 3.46Å; N1813-T1825 HydrophobicContact CB-CG2 4.39Å; N1813-T1825 WeakPolarHBondContact O-CG2 3.18Å; N1813-T1825 PolarHBondContact O-N 3.49Å
1814	V	93.6	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	160.4	178.6	0	0	0	0	106.1	S1768 L1769 I1792 L1809 A1810 R1812 V1822 Q1823 I1824	S1768-V1814 CarbonylContact C-O 3.34Å; S1768-V1814 VanDerWaalsContact CA-O 3.31Å; S1768-V1814 WeakPolarHBondContact CA-O 3.49Å; L1769-V1814 HydrophobicContact CB-CB 4Å; L1769-V1814 HydrophobicContact CB-CG1 4.07Å; L1769-V1814 HydrophobicContact CD2-CB 4.31Å; L1769-V1814 HydrophobicContact CD2-CG1 4.04Å; L1769-V1814 PolarHBondContact N-O 2.9Å; I1792-V1814 HydrophobicContact CD1-CG1 4.15Å; I1792-V1814 HydrophobicContact CD1-CG2 3.9Å; I1792-V1814 HydrophobicContact CG1-CG1 4.05Å; I1792-V1814 HydrophobicContact CG1-CG2 3.92Å; I1792-V1814 HydrophobicContact CG2-CG2 4.47Å; L1809-V1814 HydrophobicContact CD1-CG2 4.38Å; A1810-V1814 PolarHBondContact O-N 3.39Å; R1812-V1814 VanDerWaalsContact C-N 3.35Å; V1814-V1822 HydrophobicContact CG1-CB 3.7Å; V1814-V1822 HydrophobicContact CG1-CG1 4.5Å; V1814-V1822 HydrophobicContact CG1-CG2 4.02Å; V1814-Q1823 CarbonylContact C-O 3.55Å; V1814-I1824 HydrophobicContact CG2-CG1 4.48Å
1815	L	92.7	Very high	90.2	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.047	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	154.6	172.7	-62.7	-147.5	0	0	0	111.3	V1746 L1764 G1767 V1822 Q1823 T1825 N2174 Y2176	V1746-L1815 HydrophobicContact CG2-CB 4.47Å; L1764-L1815 HydrophobicContact CB-CD1 4.19Å; L1764-L1815 HydrophobicContact CD1-CB 3.54Å; L1764-L1815 HydrophobicContact CD1-CD1 4.21Å; L1764-L1815 HydrophobicContact CD1-CG 4.42Å; G1767-L1815 VanDerWaalsContact O-CA 3.26Å; G1767-L1815 WeakPolarHBondContact O-CA 3.41Å; G1767-L1815 WeakPolarHBondContact O-CB 3.32Å; L1815-V1822 CarbonylContact O-C 3.2Å; L1815-V1822 WeakPolarHBondContact O-CA 3.28Å; L1815-Q1823 PolarHBondContact N-O 2.77Å; L1815-Q1823 PolarHBondContact O-N 3.41Å; L1815-T1825 HydrophobicContact CD2-CG2 3.71Å; L1815-T1825 HydrophobicContact CG-CG2 3.75Å; L1815-N2174 WeakPolarHBondContact CD1-ND2 3.44Å; L1815-Y2176 HydrophobicContact CD1-CD1 3.63Å; L1815-Y2176 HydrophobicContact CD1-CE1 3.19Å; L1815-Y2176 HydrophobicContact CD1-CG 4.45Å
1816	V	89.9	Confident	89.9	Confident	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.7	-178.5	-171.4	0	0	0	0	109.9	L1766 G1767 L1769 F1772 S1818 V1822	L1766-V1816 HydrophobicContact CB-CB 3.54Å; L1766-V1816 HydrophobicContact CB-CG1 3.68Å; L1766-V1816 WeakPolarHBondContact CB-O 3.13Å; L1766-V1816 HydrophobicContact CD1-CB 4.46Å; L1766-V1816 HydrophobicContact CD1-CG1 3.68Å; L1766-V1816 HydrophobicContact CG-CG1 4.33Å; L1766-V1816 PolarHBondContact N-O 2.9Å; G1767-V1816 PolarHBondContact O-N 3.05Å; L1769-V1816 HydrophobicContact CB-CG2 3.95Å; L1769-V1816 HydrophobicContact CD1-CG2 3.73Å; L1769-V1816 HydrophobicContact CG-CG2 4.46Å; F1772-V1816 HydrophobicContact CB-CG2 3.81Å; F1772-V1816 HydrophobicContact CD1-CG1 4.47Å; F1772-V1816 HydrophobicContact CD1-CG2 4.26Å; F1772-V1816 HydrophobicContact CD2-CG1 4.41Å; F1772-V1816 HydrophobicContact CG-CB 4.46Å; F1772-V1816 HydrophobicContact CG-CG1 4.38Å; F1772-V1816 HydrophobicContact CG-CG2 3.99Å; V1816-S1818 VanDerWaalsContact CG1-O 3.24Å; V1816-S1818 WeakPolarHBondContact CG1-O 3.42Å; V1816-V1822 HydrophobicContact CB-CG1 4.45Å; V1816-V1822 HydrophobicContact CG1-CG1 4.29Å; V1816-V1822 HydrophobicContact CG2-CG1 4.07Å
1817	Q	85.7	Confident	89.1	Confident	77 Å²	77	21 Å²	21	36%	0.36	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-41.8	177.2	-178.5	175.3	0.6	0	0	111.7	L1764 P1765 Q1821 Q1823	L1764-Q1817 HydrophobicContact CD2-CB 3.69Å; L1764-Q1817 HydrophobicContact CD2-CG 3.7Å; P1765-Q1817 WeakPolarHBondContact CG-O 3.41Å; Q1817-Q1821 HydrophobicContact CB-CB 4.21Å; Q1817-Q1821 HydrophobicContact CB-CG 4.14Å; Q1817-Q1821 WeakPolarHBondContact CB-O 3.42Å; Q1817-Q1821 PolarHBondContact N-O 3.49Å; Q1817-Q1823 VanDerWaalsContact OE1-NE2 3.15Å
1818	S	83.2	Confident	87.8	Confident	22 Å²	22	20.5 Å²	20.5	15%	0.154	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	177.1	169.5	65.3	0	0	0	0	108.5	V1816 D1820 Q1821	V1816-S1818 VanDerWaalsContact CG1-O 3.24Å; V1816-S1818 WeakPolarHBondContact CG1-O 3.42Å; S1818-D1820 PolarHBondContact O-N 3.31Å; S1818-D1820 VanDerWaalsContact O-N 3.1Å; S1818-D1820 PolarHBondContact OG-N 3.21Å; S1818-Q1821 PolarHBondContact N-O 2.9Å; S1818-Q1821 PolarHBondContact O-N 2.03Å; S1818-Q1821 PolarHBondContact OG-N 2.91Å
1819	K	79.3	Confident	86.5	Confident	40 Å²	40	21 Å²	21	17%	0.174	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.9	171	-168	-166.9	-175.2	-163.2	0	111.4	E1781 S1784 W1788 N2039	E1781-K1819 IonicContact OE1-NZ 3.69Å; E1781-K1819 PolarHBondContact OE1-NZ 3.28Å; E1781-K1819 IonicContact OE2-NZ 2.81Å; E1781-K1819 PolarHBondContact OE2-NZ 3.39Å; S1784-K1819 WeakPolarHBondContact OG-CE 3.3Å; W1788-K1819 PolarHBondContact NE1-O 3.36Å; K1819-N2039 HydrophobicContact CB-CB 4.13Å; K1819-N2039 VanDerWaalsContact CB-OD1 3.27Å; K1819-N2039 WeakPolarHBondContact CB-OD1 3.39Å; K1819-N2039 PolarHBondContact N-OD1 3.03Å
1820	D	84.3	Confident	85.4	Confident	87 Å²	87	21.7 Å²	21.7	47%	0.465	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-5.3	-174.3	-53.2	-58.1	0	0	0	114.7	Q1787 Q1791 S1818	Q1787-D1820 VanDerWaalsContact NE2-CA 3.29Å; Q1787-D1820 PolarHBondContact NE2-O 2.85Å; Q1791-D1820 PolarHBondContact NE2-O 2.93Å; S1818-D1820 PolarHBondContact O-N 3.31Å; S1818-D1820 VanDerWaalsContact O-N 3.1Å; S1818-D1820 PolarHBondContact OG-N 3.21Å
1821	Q	89	Confident	84.4	Confident	44 Å²	44	25.6 Å²	25.6	21%	0.206	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	121.3	-175.5	-175.3	67.9	74.6	0	0	112.8	P1743 Q1791 Q1817 S1818 Q1823	P1743-Q1821 PolarHBondContact O-NE2 2.99Å; Q1791-Q1821 VanDerWaalsContact OE1-CA 3.32Å; Q1817-Q1821 HydrophobicContact CB-CB 4.21Å; Q1817-Q1821 HydrophobicContact CB-CG 4.14Å; Q1817-Q1821 WeakPolarHBondContact CB-O 3.42Å; Q1817-Q1821 PolarHBondContact N-O 3.49Å; S1818-Q1821 PolarHBondContact N-O 2.9Å; S1818-Q1821 PolarHBondContact O-N 2.03Å; S1818-Q1821 PolarHBondContact OG-N 2.91Å; Q1821-Q1823 HydrophobicContact CG-CG 4.48Å
1822	V	94.3	Very high	83.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	159	169.6	-60	0	0	0	0	112	L1769 W1788 Q1791 I1792 V1814 L1815 V1816	L1769-V1822 HydrophobicContact CD1-CG1 4.27Å; W1788-V1822 HydrophobicContact CB-CG1 4.31Å; W1788-V1822 HydrophobicContact CB-CG2 3.99Å; W1788-V1822 VanDerWaalsContact CD1-CG1 3.44Å; W1788-V1822 HydrophobicContact CD2-CG1 4.33Å; W1788-V1822 HydrophobicContact CG-CG1 3.77Å; W1788-V1822 HydrophobicContact CG-CG2 4.26Å; Q1791-V1822 HydrophobicContact CB-CG2 3.87Å; I1792-V1822 HydrophobicContact CD1-CG2 4.5Å; I1792-V1822 HydrophobicContact CG1-CG2 4.03Å; V1814-V1822 HydrophobicContact CG1-CB 3.7Å; V1814-V1822 HydrophobicContact CG1-CG1 4.5Å; V1814-V1822 HydrophobicContact CG1-CG2 4.02Å; L1815-V1822 CarbonylContact O-C 3.2Å; L1815-V1822 WeakPolarHBondContact O-CA 3.28Å; V1816-V1822 HydrophobicContact CB-CG1 4.45Å; V1816-V1822 HydrophobicContact CG1-CG1 4.29Å; V1816-V1822 HydrophobicContact CG2-CG1 4.07Å
1823	Q	93.7	Very high	82.2	Confident	14 Å²	14	26 Å²	26	7%	0.065	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	135.2	-171.6	-66.5	-168.7	-25.3	0	0	113.2	P1743 C1744 V1746 L1764 V1814 L1815 Q1817 Q1821	P1743-Q1823 WeakPolarHBondContact O-CG 3.24Å; P1743-Q1823 PolarHBondContact O-NE2 2.89Å; C1744-Q1823 CarbonylContact O-C 3.58Å; C1744-Q1823 WeakPolarHBondContact O-CA 3.25Å; V1746-Q1823 HydrophobicContact CB-CB 4.15Å; V1746-Q1823 HydrophobicContact CG2-CB 3.3Å; V1746-Q1823 HydrophobicContact CG2-CG 4.46Å; V1746-Q1823 WeakPolarHBondContact CG2-O 3.14Å; L1764-Q1823 HydrophobicContact CD1-CB 4.36Å; V1814-Q1823 CarbonylContact C-O 3.55Å; L1815-Q1823 PolarHBondContact N-O 2.77Å; L1815-Q1823 PolarHBondContact O-N 3.41Å; Q1817-Q1823 VanDerWaalsContact OE1-NE2 3.15Å; Q1821-Q1823 HydrophobicContact CG-CG 4.48Å
1824	I	94.2	Very high	80.6	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.6	-173.9	-60	174.2	0	0	0	113.3	C1744 V1746 I1792 M1796 L1799 H1806 L1809 V1814 F1827	C1744-I1824 PolarHBondContact O-N 2.84Å; V1746-I1824 WeakPolarHBondContact CG2-O 3.31Å; V1746-I1824 PolarHBondContact N-O 2.89Å; V1746-I1824 VanDerWaalsContact N-O 3.1Å; I1792-I1824 HydrophobicContact CG2-CD1 4.22Å; M1796-I1824 HydrophobicContact CG-CD1 3.83Å; M1796-I1824 HydrophobicContact SD-CD1 3.84Å; L1799-I1824 HydrophobicContact CD1-CG2 4.41Å; H1806-I1824 VanDerWaalsContact CD2-CG2 3.43Å; H1806-I1824 WeakPolarHBondContact CD2-CG2 3.48Å; H1806-I1824 WeakPolarHBondContact NE2-CG2 3.44Å; L1809-I1824 HydrophobicContact CD1-CD1 4.43Å; L1809-I1824 HydrophobicContact CD1-CG2 4.27Å; V1814-I1824 HydrophobicContact CG2-CG1 4.48Å; I1824-F1827 HydrophobicContact CG2-CZ 4.34Å
1825	T	88.9	Confident	78.7	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.031	20%	0.203	C	C	.	.			trans	-143.5	173.2	-166.7	167.3	0	0	0	0	114.4	H1806 N1813 L1815 N2174	H1806-T1825 PolarHBondContact CE1-O 3.5Å; H1806-T1825 PolarHBondContact NE2-O 3.4Å; N1813-T1825 HydrophobicContact CB-CG2 4.39Å; N1813-T1825 WeakPolarHBondContact O-CG2 3.18Å; N1813-T1825 PolarHBondContact O-N 3.49Å; L1815-T1825 HydrophobicContact CD2-CG2 3.71Å; L1815-T1825 HydrophobicContact CG-CG2 3.75Å; T1825-N2174 WeakPolarHBondContact OG1-CB 3.45Å; T1825-N2174 PolarHBondContact OG1-O 3.45Å
1826	D	80.6	Confident	76.7	Confident	18 Å²	18	42.3 Å²	42.3	10%	0.096	23%	0.234	C	C	.	.			trans	52.8	74	179.9	-160.1	3.4	0	0	0	115.1	K1716 H1806 G1828	K1716-D1826 IonicContact NZ-OD1 3.97Å; H1806-D1826 PolarHBondContact CE1-O 3.08Å; D1826-G1828 PolarHBondContact O-N 2.83Å; D1826-G1828 PolarHBondContact OD1-N 2.81Å
1827	F	75.4	Confident	74.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-79.5	14.6	174.9	-65.1	-98.7	0	0	0	112.7	V1736 M1737 L1799 I1824 L1829 A1830 N2172 N2173	V1736-F1827 HydrophobicContact CG1-CD1 4.27Å; M1737-F1827 HydrophobicContact CE-CB 3.83Å; M1737-F1827 HydrophobicContact CE-CD2 3.94Å; M1737-F1827 HydrophobicContact CE-CG 4.36Å; M1737-F1827 HydrophobicContact CG-CB 3.75Å; M1737-F1827 HydrophobicContact CG-CD2 4.17Å; M1737-F1827 HydrophobicContact CG-CG 4.12Å; L1799-F1827 HydrophobicContact CD1-CE1 3.67Å; L1799-F1827 HydrophobicContact CD1-CZ 4.01Å; L1799-F1827 HydrophobicContact CD2-CE1 3.64Å; L1799-F1827 HydrophobicContact CD2-CZ 4.17Å; L1799-F1827 HydrophobicContact CG-CE1 4.33Å; I1824-F1827 HydrophobicContact CG2-CZ 4.34Å; F1827-L1829 PolarHBondContact O-N 3.4Å; F1827-L1829 VanDerWaalsContact O-N 3.15Å; F1827-A1830 HydrophobicContact CB-CB 3.82Å; F1827-A1830 HydrophobicContact CD1-CB 3.81Å; F1827-A1830 HydrophobicContact CG-CB 4.29Å; F1827-A1830 VanDerWaalsContact O-CB 3.32Å; F1827-A1830 WeakPolarHBondContact O-CB 3.03Å; F1827-A1830 PolarHBondContact O-N 2.89Å; F1827-N2172 HydrophobicContact CD2-CB 4.42Å; F1827-N2172 HydrophobicContact CE2-CB 4.18Å; F1827-N2172 WeakPolarHBondContact CE2-ND2 3.2Å; F1827-N2172 VanDerWaalsContact CZ-ND2 3.32Å; F1827-N2172 WeakPolarHBondContact CZ-ND2 3.44Å; F1827-N2173 WeakPolarHBondContact CD2-O 3.45Å; F1827-N2173 WeakPolarHBondContact CE2-O 3.42Å
1828	G	61.7	Low	74	Confident	12 Å²	12	48.4 Å²	48.4	12%	0.124	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.2	-20	-177.4	0	0	0	0	0	115.5	F1640 E1733 D1826	F1640-G1828 WeakPolarHBondContact CE2-O 3.26Å; F1640-G1828 WeakPolarHBondContact CZ-O 3.31Å; E1733-G1828 WeakPolarHBondContact OE2-CA 2.96Å; D1826-G1828 PolarHBondContact O-N 2.83Å; D1826-G1828 PolarHBondContact OD1-N 2.81Å
1829	L	61.8	Low	73.7	Confident	27 Å²	27	51.2 Å²	51.2	14%	0.141	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-107.1	-2.9	169.3	-66.9	179.2	0	0	0	113.5	F1640 R1807 D1808 F1827	F1640-L1829 HydrophobicContact CZ-CD2 4.2Å; R1807-L1829 HydrophobicContact CB-CB 4.25Å; R1807-L1829 VanDerWaalsContact CD-O 3.3Å; R1807-L1829 WeakPolarHBondContact CD-O 3.28Å; R1807-L1829 PolarHBondContact NH1-O 2.03Å; D1808-L1829 HydrophobicContact CB-CD1 4.25Å; F1827-L1829 PolarHBondContact O-N 3.4Å; F1827-L1829 VanDerWaalsContact O-N 3.15Å
1830	A	71	Confident	73.5	Confident	13 Å²	13	52.3 Å²	52.3	11%	0.107	29%	0.287	C	S	.	.			trans	-69.8	154.4	-172.3	0	0	0	0	0	112.3	V1736 I1804 I1805 H1806 F1827	V1736-A1830 HydrophobicContact CG1-CB 3.9Å; I1804-A1830 HydrophobicContact CG2-CB 4.35Å; I1805-A1830 CarbonylContact O-C 3.25Å; I1805-A1830 WeakPolarHBondContact O-CA 3.45Å; I1805-A1830 WeakPolarHBondContact O-CB 3.31Å; H1806-A1830 WeakPolarHBondContact O-CA 3.43Å; F1827-A1830 HydrophobicContact CB-CB 3.82Å; F1827-A1830 HydrophobicContact CD1-CB 3.81Å; F1827-A1830 HydrophobicContact CG-CB 4.29Å; F1827-A1830 VanDerWaalsContact O-CB 3.32Å; F1827-A1830 WeakPolarHBondContact O-CB 3.03Å; F1827-A1830 PolarHBondContact O-N 2.89Å
1831	K	73.2	Confident	73.2	Confident	82 Å²	82	53.1 Å²	53.1	36%	0.357	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.1	-175.2	-174.2	62.5	-179.7	171.1	0	111.9	I1804 I1805 L1833 Y1840	I1804-K1831 WeakPolarHBondContact CA-O 3.26Å; I1805-K1831 PolarHBondContact N-O 3.36Å; I1805-K1831 PolarHBondContact O-N 3.32Å; K1831-L1833 PolarHBondContact O-N 3.2Å; K1831-Y1840 HydrophobicContact CB-CD1 4.18Å; K1831-Y1840 HydrophobicContact CB-CG 4.4Å; K1831-Y1840 HydrophobicContact CD-CD2 4.39Å; K1831-Y1840 HydrophobicContact CD-CE2 4.37Å; K1831-Y1840 HydrophobicContact CG-CD1 3.92Å; K1831-Y1840 HydrophobicContact CG-CD2 3.96Å; K1831-Y1840 HydrophobicContact CG-CE1 4.31Å; K1831-Y1840 HydrophobicContact CG-CE2 4.37Å; K1831-Y1840 HydrophobicContact CG-CG 3.73Å
1832	C	69.7	Low	72.3	Confident	43 Å²	43	51.4 Å²	51.4	29%	0.291	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	124.8	158.5	-58.4	0	0	0	0	109.3
1833	L	71.3	Confident	70.9	Confident	37 Å²	37	57.4 Å²	57.4	19%	0.194	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-80.3	142.5	167.3	-65.1	164.7	0	0	0	109.7	G1803 I1805 K1831 H1837 E1839	G1803-L1833 WeakPolarHBondContact O-CB 3.48Å; G1803-L1833 PolarHBondContact O-N 2.97Å; I1805-L1833 HydrophobicContact CD1-CD1 3.84Å; I1805-L1833 HydrophobicContact CD1-CD2 3.84Å; I1805-L1833 HydrophobicContact CD1-CG 3.93Å; I1805-L1833 HydrophobicContact CG1-CD1 3.91Å; I1805-L1833 HydrophobicContact CG1-CG 4.25Å; K1831-L1833 PolarHBondContact O-N 3.2Å; L1833-H1837 WeakPolarHBondContact CD1-O 3.06Å; L1833-H1837 HydrophobicContact CD2-CB 4.35Å; L1833-E1839 WeakPolarHBondContact CD2-O 3.43Å
1834	D	58.3	Low	69.5	Low	129 Å²	129	58.4 Å²	58.4	69%	0.69	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-68.8	148.6	160.6	-76.4	-56.3	0	0	0	109.1	T1836 H1837	D1834-T1836 PolarHBondContact O-N 3.11Å; D1834-H1837 PolarHBondContact O-N 3.38Å
1835	T	54	Low	68	Low	122 Å²	122	61.4 Å²	61.4	75%	0.748	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	6.1	-169.8	56.5	0	0	0	0	116.2	L1614	L1614-T1835 HydrophobicContact CD1-CG2 3.75Å
1836	T	50.3	Low	66.9	Low	114 Å²	114	69.7 Å²	69.7	70%	0.699	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-2.5	176.2	51.9	0	0	0	0	113.6	D1834	D1834-T1836 PolarHBondContact O-N 3.11Å
1837	H	53.9	Low	66.8	Low	111 Å²	111	70.4 Å²	70.4	51%	0.514	40%	0.402	S	S	.	.			trans	-125.5	131.9	-176.2	-62	-72.2	0	0	0	111.1	L1833 D1834	L1833-H1837 WeakPolarHBondContact CD1-O 3.06Å; L1833-H1837 HydrophobicContact CD2-CB 4.35Å; D1834-H1837 PolarHBondContact O-N 3.38Å
1838	S	66.7	Low	67.4	Low	94 Å²	94	70.8 Å²	70.8	66%	0.657	41%	0.405	S	S	*	.	S	Bend	trans	-90.4	-9.9	172.4	47	0	0	0	0	113.3
1839	E	76.6	Confident	68.7	Low	82 Å²	82	73 Å²	73	38%	0.383	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.9	-169.3	59.3	177.5	-143.2	0	0	111.7	L1833 H1841 I1861 F1862	L1833-E1839 WeakPolarHBondContact CD2-O 3.43Å; E1839-H1841 IonicContact OE1-CD2 3.74Å; E1839-H1841 IonicContact OE1-CE1 3.37Å; E1839-H1841 IonicContact OE1-NE2 2.64Å; E1839-H1841 PolarHBondContact OE1-NE2 2.77Å; E1839-I1861 HydrophobicContact CB-CG2 3.97Å; E1839-F1862 CarbonylContact C-O 3.59Å; E1839-F1862 VanDerWaalsContact CA-O 3.25Å; E1839-F1862 WeakPolarHBondContact CA-O 3.12Å
1840	Y	74.9	Confident	70.2	Confident	62 Å²	62	72.7 Å²	72.7	24%	0.243	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.9	178.1	171.5	-116.4	0	0	0	110.9	K1831 A1842 F1862	K1831-Y1840 HydrophobicContact CB-CD1 4.18Å; K1831-Y1840 HydrophobicContact CB-CG 4.4Å; K1831-Y1840 HydrophobicContact CD-CD2 4.39Å; K1831-Y1840 HydrophobicContact CD-CE2 4.37Å; K1831-Y1840 HydrophobicContact CG-CD1 3.92Å; K1831-Y1840 HydrophobicContact CG-CD2 3.96Å; K1831-Y1840 HydrophobicContact CG-CE1 4.31Å; K1831-Y1840 HydrophobicContact CG-CE2 4.37Å; K1831-Y1840 HydrophobicContact CG-CG 3.73Å; Y1840-A1842 HydrophobicContact CD1-CB 4.36Å; Y1840-A1842 HydrophobicContact CE1-CB 3.73Å; Y1840-F1862 HydrophobicContact CD1-CD2 4.47Å; Y1840-F1862 PolarHBondContact N-O 3.01Å; Y1840-F1862 PolarHBondContact O-N 3.04Å
1841	H	78.6	Confident	71.3	Confident	105 Å²	105	73.1 Å²	73.1	49%	0.486	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	113.7	176.1	-69.4	-120.7	0	0	0	109.5	E1839	E1839-H1841 IonicContact OE1-CD2 3.74Å; E1839-H1841 IonicContact OE1-CE1 3.37Å; E1839-H1841 IonicContact OE1-NE2 2.64Å; E1839-H1841 PolarHBondContact OE1-NE2 2.77Å
1842	A	68.9	Low	72.3	Confident	7 Å²	7	69.6 Å²	69.6	6%	0.058	39%	0.394	C	S	.	.			trans	-90.3	115.6	-173.3	0	0	0	0	0	112.8	Y1840 G1844 R1860 F1862	Y1840-A1842 HydrophobicContact CD1-CB 4.36Å; Y1840-A1842 HydrophobicContact CE1-CB 3.73Å; A1842-G1844 PolarHBondContact O-N 3.5Å; A1842-G1844 VanDerWaalsContact O-N 3.07Å; A1842-R1860 HydrophobicContact CB-CB 4.37Å; A1842-R1860 PolarHBondContact N-O 3.05Å; A1842-R1860 WeakPolarHBondContact O-CD 3.38Å; A1842-F1862 HydrophobicContact CB-CD2 3.95Å; A1842-F1862 HydrophobicContact CB-CE2 3.59Å
1843	S	64.2	Low	73.5	Confident	127 Å²	127	67.5 Å²	67.5	89%	0.888	38%	0.38	S	S	*	.			trans	-73.9	6.6	-177.4	62.1	0	0	0	0	115.8
1844	G	64.7	Low	74.6	Confident	35 Å²	35	66.4 Å²	66.4	36%	0.361	38%	0.375	S	S	.	.	S	Bend	trans	157.9	-163.1	-178.3	0	0	0	0	0	113	A1842	A1842-G1844 PolarHBondContact O-N 3.5Å; A1842-G1844 VanDerWaalsContact O-N 3.07Å
1845	G	63.7	Low	76.3	Confident	65 Å²	65	61.1 Å²	61.1	67%	0.67	35%	0.346	S	S	*	.			trans	102.1	173.7	173.1	0	0	0	0	0	115.8
1846	R	65.6	Low	78.1	Confident	178 Å²	178	55.3 Å²	55.3	67%	0.672	31%	0.31	S	S	*	.			trans	-71.8	144.5	172.2	-68.6	174.5	171.8	168.2	-4.8	109.5	A1639	A1639-R1846 PolarHBondContact O-NH1 3.46Å
1847	M	78.6	Confident	80	Confident	34 Å²	34	51.5 Å²	51.5	17%	0.167	29%	0.285	C	S	.	.			trans	-137.1	135.9	-174.5	-77.5	167.5	68.4	0	0	111.8	I1849 L1852 C1856 R1860 F1862	M1847-I1849 VanDerWaalsContact C-N 3.26Å; M1847-I1849 HydrophobicContact CB-CG1 4.24Å; M1847-I1849 PolarHBondContact O-N 2.94Å; M1847-L1852 HydrophobicContact CB-CD1 3.95Å; M1847-L1852 HydrophobicContact CE-CD1 3.55Å; M1847-L1852 HydrophobicContact CG-CD1 4.31Å; M1847-C1856 WeakPolarHBondContact CE-O 3.05Å; M1847-R1860 PolarHBondContact SD-NH1 2.8Å; M1847-F1862 HydrophobicContact CE-CZ 4.32Å
1848	P	86.9	Confident	81.6	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.045	28%	0.282	C	S	.	.			trans	-84.9	60.2	-179.7	36.7	-38.9	0	0	0	111.6	D1808 K1850 W1851 L1852	D1808-P1848 HydrophobicContact CB-CG 4.06Å; D1808-P1848 WeakPolarHBondContact OD1-CB 3.48Å; D1808-P1848 WeakPolarHBondContact OD1-CG 3.12Å; P1848-K1850 VanDerWaalsContact C-N 3.28Å; P1848-K1850 PolarHBondContact O-N 3.31Å; P1848-W1851 HydrophobicContact CB-CE3 4.2Å; P1848-W1851 PolarHBondContact O-N 2.65Å; P1848-L1852 HydrophobicContact CG-CD2 3.85Å; P1848-L1852 HydrophobicContact CG-CG 4.06Å
1849	I	90.4	Very high	82.6	Confident	58 Å²	58	50.8 Å²	50.8	30%	0.297	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-43.6	-41.2	-161.7	-63.3	166.7	0	0	0	115.5	M1847 W1851 L1852 I1857 A1891 L1894	M1847-I1849 VanDerWaalsContact C-N 3.26Å; M1847-I1849 HydrophobicContact CB-CG1 4.24Å; M1847-I1849 PolarHBondContact O-N 2.94Å; I1849-W1851 VanDerWaalsContact C-N 3.26Å; I1849-W1851 PolarHBondContact O-N 3.37Å; I1849-L1852 PolarHBondContact O-N 2.9Å; I1849-I1857 HydrophobicContact CG2-CD1 4.4Å; I1849-A1891 HydrophobicContact CB-CB 4.26Å; I1849-A1891 HydrophobicContact CD1-CB 4.2Å; I1849-A1891 HydrophobicContact CG2-CB 3.93Å; I1849-L1894 HydrophobicContact CG2-CD2 3.75Å; I1849-L1894 WeakPolarHBondContact O-CD2 3.31Å
1850	K	92.8	Very high	83.1	Confident	22 Å²	22	51.5 Å²	51.5	10%	0.096	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-59.6	-30.3	-179.9	-42.8	-155.6	179.4	-167.9	0	115	P1848 P1885 Y1886 T2187 L2188	P1848-K1850 VanDerWaalsContact C-N 3.28Å; P1848-K1850 PolarHBondContact O-N 3.31Å; K1850-P1885 HydrophobicContact CD-CG 4.36Å; K1850-P1885 WeakPolarHBondContact CD-O 3.09Å; K1850-Y1886 PolarHBondContact NZ-O 3.27Å; K1850-T2187 PolarHBondContact NZ-O 3.47Å; K1850-L2188 HydrophobicContact CB-CD1 4.17Å; K1850-L2188 HydrophobicContact CD-CD1 3.48Å; K1850-L2188 VanDerWaalsContact CD-CD1 3.48Å; K1850-L2188 HydrophobicContact CD-CG 3.8Å; K1850-L2188 VanDerWaalsContact CE-CG 3.48Å; K1850-L2188 HydrophobicContact CG-CD1 3.49Å; K1850-L2188 VanDerWaalsContact CG-CD1 3.49Å; K1850-L2188 HydrophobicContact CG-CG 4.33Å
1851	W	94.5	Very high	83.8	Confident	22 Å²	22	50.1 Å²	50.1	8%	0.083	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-95.6	-7.3	-175.1	-66.7	-100.2	0	0	0	112.5	A1810 R1812 P1848 I1849 A1870 I1873 E1877 P1885	A1810-W1851 HydrophobicContact CB-CD2 4.3Å; A1810-W1851 HydrophobicContact CB-CG 4.19Å; A1810-W1851 HydrophobicContact CB-CZ2 4.49Å; A1810-W1851 VanDerWaalsContact CB-NE1 3.29Å; R1812-W1851 VanDerWaalsContact NH1-CZ2 3.3Å; P1848-W1851 HydrophobicContact CB-CE3 4.2Å; P1848-W1851 PolarHBondContact O-N 2.65Å; I1849-W1851 VanDerWaalsContact C-N 3.26Å; I1849-W1851 PolarHBondContact O-N 3.37Å; W1851-A1870 HydrophobicContact CB-CB 4.47Å; W1851-A1870 WeakPolarHBondContact O-CA 3.42Å; W1851-A1870 VanDerWaalsContact O-CB 3.3Å; W1851-A1870 WeakPolarHBondContact O-CB 3.36Å; W1851-I1873 VanDerWaalsContact CD1-CG2 3.47Å; W1851-I1873 HydrophobicContact CG-CG2 4.1Å; W1851-E1877 WeakPolarHBondContact CZ2-OE1 3.39Å; W1851-E1877 VanDerWaalsContact NE1-CD 3.3Å; W1851-E1877 PolarHBondContact NE1-OE1 2.91Å; W1851-E1877 PolarHBondContact NE1-OE2 2.88Å; W1851-P1885 HydrophobicContact CD2-CG 4.19Å; W1851-P1885 VanDerWaalsContact CE2-CG 3.42Å; W1851-P1885 HydrophobicContact CH2-CG 4.09Å; W1851-P1885 HydrophobicContact CZ2-CG 3.37Å
1852	L	93.3	Very high	84.3	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	25%	0.247	C	C	.	.			trans	-83.5	146	-173.7	-67.9	-174.8	0	0	0	112.4	M1847 P1848 I1849 C1856 I1857 F1862 W1869	M1847-L1852 HydrophobicContact CB-CD1 3.95Å; M1847-L1852 HydrophobicContact CE-CD1 3.55Å; M1847-L1852 HydrophobicContact CG-CD1 4.31Å; P1848-L1852 HydrophobicContact CG-CD2 3.85Å; P1848-L1852 HydrophobicContact CG-CG 4.06Å; I1849-L1852 PolarHBondContact O-N 2.9Å; L1852-C1856 HydrophobicContact CB-CB 3.82Å; L1852-C1856 HydrophobicContact CD1-CB 4.17Å; L1852-C1856 HydrophobicContact CD2-CB 4.12Å; L1852-C1856 HydrophobicContact CG-CB 4.26Å; L1852-I1857 HydrophobicContact CB-CD1 4.22Å; L1852-I1857 HydrophobicContact CB-CG1 3.75Å; L1852-F1862 HydrophobicContact CD1-CE1 4.47Å; L1852-F1862 HydrophobicContact CD1-CZ 4.49Å; L1852-F1862 HydrophobicContact CD2-CE1 3.79Å; L1852-W1869 PolarHBondContact O-NE1 3.37Å
1853	A	94.6	Very high	85.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.			trans	-70.8	163.8	170.7	0	0	0	0	0	112.3	E1855 C1856 I1857 W1869	A1853-E1855 WeakPolarHBondContact CB-OE1 3.15Å; A1853-E1855 WeakPolarHBondContact CB-OE2 3.37Å; A1853-E1855 PolarHBondContact O-N 2.91Å; A1853-C1856 VanDerWaalsContact O-CB 3.3Å; A1853-C1856 WeakPolarHBondContact O-CB 3.45Å; A1853-C1856 PolarHBondContact O-N 3.27Å; A1853-I1857 WeakPolarHBondContact O-CG1 3.29Å; A1853-I1857 PolarHBondContact O-N 3.1Å; A1853-I1857 VanDerWaalsContact O-N 3.1Å; A1853-W1869 HydrophobicContact CB-CB 3.7Å; A1853-W1869 HydrophobicContact CB-CD2 3.89Å; A1853-W1869 HydrophobicContact CB-CE3 4.15Å; A1853-W1869 HydrophobicContact CB-CG 3.69Å
1854	I	94.6	Very high	86.7	Confident	14 Å²	14	41.3 Å²	41.3	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-49.7	-178.3	-60.5	178.9	0	0	0	110.8	C1856 I1857 Q1858 W1869 L1895 L1898 E1899 A1924	I1854-C1856 PolarHBondContact O-N 2.89Å; I1854-I1857 PolarHBondContact O-N 3.37Å; I1854-Q1858 VanDerWaalsContact O-CB 3.29Å; I1854-Q1858 WeakPolarHBondContact O-CB 3.49Å; I1854-Q1858 PolarHBondContact O-N 2.65Å; I1854-W1869 HydrophobicContact CD1-CH2 4.01Å; I1854-W1869 HydrophobicContact CD1-CZ3 4.22Å; I1854-W1869 HydrophobicContact CG1-CH2 3.81Å; I1854-W1869 HydrophobicContact CG1-CZ2 4.49Å; I1854-W1869 HydrophobicContact CG1-CZ3 4.09Å; I1854-L1895 HydrophobicContact CG2-CD1 3.84Å; I1854-L1898 HydrophobicContact CD1-CB 3.97Å; I1854-L1898 HydrophobicContact CG1-CB 3.89Å; I1854-L1898 HydrophobicContact CG1-CD1 4.22Å; I1854-E1899 HydrophobicContact CG2-CG 4.38Å; I1854-A1924 HydrophobicContact CD1-CB 4.13Å
1855	E	93.5	Very high	88.2	Confident	18 Å²	18	41.6 Å²	41.6	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-23.6	179.5	75.4	-75.4	-175.3	0	0	113.8	A1853 D1859 R1860 I1861 S1866 P1926 R1929	A1853-E1855 WeakPolarHBondContact CB-OE1 3.15Å; A1853-E1855 WeakPolarHBondContact CB-OE2 3.37Å; A1853-E1855 PolarHBondContact O-N 2.91Å; E1855-D1859 CarbonylContact O-C 3.49Å; E1855-D1859 PolarHBondContact O-N 2.72Å; E1855-R1860 PolarHBondContact O-N 3.09Å; E1855-I1861 CarbonylContact C-O 3.2Å; E1855-I1861 HydrophobicContact CB-CB 4.45Å; E1855-I1861 HydrophobicContact CG-CB 4.35Å; E1855-I1861 PolarHBondContact O-N 3.08Å; E1855-S1866 VanDerWaalsContact OE1-CB 3.31Å; E1855-S1866 WeakPolarHBondContact OE1-CB 3.49Å; E1855-P1926 HydrophobicContact CG-CG 4.08Å; E1855-R1929 IonicContact OE1-CZ 2.71Å; E1855-R1929 IonicContact OE1-NH1 4Å; E1855-R1929 PolarHBondContact OE1-NH1 3.45Å; E1855-R1929 IonicContact OE1-NH2 2.69Å; E1855-R1929 IonicContact OE2-CZ 3.34Å; E1855-R1929 IonicContact OE2-NH1 2.86Å; E1855-R1929 PolarHBondContact OE2-NH1 3.38Å; E1855-R1929 IonicContact OE2-NH2 3.14Å; E1855-R1929 PolarHBondContact OE2-NH2 3.03Å
1856	C	93	Very high	89.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-76.4	-33.8	172.5	-77.3	0	0	0	0	112.5	M1847 L1852 A1853 I1854 R1860 I1861 F1862 S1866	M1847-C1856 WeakPolarHBondContact CE-O 3.05Å; L1852-C1856 HydrophobicContact CB-CB 3.82Å; L1852-C1856 HydrophobicContact CD1-CB 4.17Å; L1852-C1856 HydrophobicContact CD2-CB 4.12Å; L1852-C1856 HydrophobicContact CG-CB 4.26Å; A1853-C1856 VanDerWaalsContact O-CB 3.3Å; A1853-C1856 WeakPolarHBondContact O-CB 3.45Å; A1853-C1856 PolarHBondContact O-N 3.27Å; I1854-C1856 PolarHBondContact O-N 2.89Å; C1856-R1860 WeakPolarHBondContact O-CA 3.23Å; C1856-I1861 WeakPolarHBondContact CA-O 3.14Å; C1856-I1861 PolarHBondContact N-O 2.86Å; C1856-I1861 PolarHBondContact SG-O 3.13Å; C1856-F1862 HydrophobicContact CB-CD1 4.37Å; C1856-F1862 HydrophobicContact CB-CE1 4.09Å; C1856-F1862 HydrophobicContact CB-CZ 4.27Å; C1856-F1862 WeakPolarHBondContact SG-CD1 3.45Å; C1856-S1866 WeakPolarHBondContact SG-CB 3.4Å; C1856-S1866 PolarHBondContact SG-OG 3.22Å
1857	I	90.5	Very high	91.1	Very high	33 Å²	33	30.4 Å²	30.4	17%	0.169	15%	0.149	C	C	.	.	H	α-helix	trans	-80.5	-45.4	-179.1	-62.7	169.3	0	0	0	110.1	I1849 L1852 A1853 I1854 L1894 L1895 L1898	I1849-I1857 HydrophobicContact CG2-CD1 4.4Å; L1852-I1857 HydrophobicContact CB-CD1 4.22Å; L1852-I1857 HydrophobicContact CB-CG1 3.75Å; A1853-I1857 WeakPolarHBondContact O-CG1 3.29Å; A1853-I1857 PolarHBondContact O-N 3.1Å; A1853-I1857 VanDerWaalsContact O-N 3.1Å; I1854-I1857 PolarHBondContact O-N 3.37Å; I1857-L1894 HydrophobicContact CD1-CD2 3.92Å; I1857-L1894 HydrophobicContact CD1-CG 4.23Å; I1857-L1895 HydrophobicContact CB-CD1 4.44Å; I1857-L1895 HydrophobicContact CG2-CB 4.1Å; I1857-L1895 HydrophobicContact CG2-CD1 4.27Å; I1857-L1895 HydrophobicContact CG2-CD2 4.42Å; I1857-L1898 HydrophobicContact CD1-CD1 4.14Å
1858	Q	87.8	Confident	92	Very high	95 Å²	95	28.8 Å²	28.8	44%	0.444	14%	0.142	S	C	.	.	H	α-helix	trans	-75.7	-66.7	-176.5	-171.8	162.3	39.4	0	0	111.6	I1854 L1895 E1899	I1854-Q1858 VanDerWaalsContact O-CB 3.29Å; I1854-Q1858 WeakPolarHBondContact O-CB 3.49Å; I1854-Q1858 PolarHBondContact O-N 2.65Å; Q1858-L1895 HydrophobicContact CB-CD1 4.19Å; Q1858-L1895 HydrophobicContact CB-CD2 4.07Å; Q1858-L1895 HydrophobicContact CG-CD2 4.28Å; Q1858-E1899 PolarHBondContact NE2-OE1 2.89Å
1859	D	86.7	Confident	92.5	Very high	95 Å²	95	28.5 Å²	28.5	51%	0.508	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-6.3	-170.1	-58.5	-60.1	0	0	0	114.2	E1855 I1861	E1855-D1859 CarbonylContact O-C 3.49Å; E1855-D1859 PolarHBondContact O-N 2.72Å; D1859-I1861 HydrophobicContact CB-CD1 3.66Å; D1859-I1861 HydrophobicContact CB-CG1 3.69Å; D1859-I1861 PolarHBondContact O-N 2.98Å
1860	R	87.4	Confident	92.8	Very high	98 Å²	98	25.9 Å²	25.9	37%	0.37	13%	0.127	S	C	.	.			trans	60.4	29.6	-172.8	-55	171.4	168.6	-88.4	-15.2	113	A1842 M1847 E1855 C1856 F1862	A1842-R1860 HydrophobicContact CB-CB 4.37Å; A1842-R1860 PolarHBondContact N-O 3.05Å; A1842-R1860 WeakPolarHBondContact O-CD 3.38Å; M1847-R1860 PolarHBondContact SD-NH1 2.8Å; E1855-R1860 PolarHBondContact O-N 3.09Å; C1856-R1860 WeakPolarHBondContact O-CA 3.23Å; R1860-F1862 HydrophobicContact CB-CE2 4.45Å; R1860-F1862 VanDerWaalsContact O-CD2 3.23Å; R1860-F1862 WeakPolarHBondContact O-CD2 3.31Å; R1860-F1862 WeakPolarHBondContact O-CE2 3.27Å
1861	I	88.7	Confident	93	Very high	32 Å²	32	24.9 Å²	24.9	16%	0.164	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	174.9	-60.3	175.4	0	0	0	108.1	E1839 E1855 C1856 D1859	E1839-I1861 HydrophobicContact CB-CG2 3.97Å; E1855-I1861 CarbonylContact C-O 3.2Å; E1855-I1861 HydrophobicContact CB-CB 4.45Å; E1855-I1861 HydrophobicContact CG-CB 4.35Å; E1855-I1861 PolarHBondContact O-N 3.08Å; C1856-I1861 WeakPolarHBondContact CA-O 3.14Å; C1856-I1861 PolarHBondContact N-O 2.86Å; C1856-I1861 PolarHBondContact SG-O 3.13Å; D1859-I1861 HydrophobicContact CB-CD1 3.66Å; D1859-I1861 HydrophobicContact CB-CG1 3.69Å; D1859-I1861 PolarHBondContact O-N 2.98Å
1862	F	90.1	Very high	93.2	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141	177.3	-65.3	-99.3	0	0	0	109.7	I1805 R1807 E1839 Y1840 A1842 M1847 L1852 C1856 R1860	I1805-F1862 HydrophobicContact CD1-CB 4.26Å; I1805-F1862 VanDerWaalsContact CD1-O 3.27Å; I1805-F1862 WeakPolarHBondContact CD1-O 3.47Å; I1805-F1862 HydrophobicContact CG2-CB 4.25Å; R1807-F1862 HydrophobicContact CB-CD1 3.78Å; R1807-F1862 HydrophobicContact CB-CE1 4.03Å; R1807-F1862 HydrophobicContact CG-CB 4.02Å; R1807-F1862 HydrophobicContact CG-CD1 3.53Å; R1807-F1862 HydrophobicContact CG-CE1 4.24Å; R1807-F1862 HydrophobicContact CG-CG 3.95Å; E1839-F1862 CarbonylContact C-O 3.59Å; E1839-F1862 VanDerWaalsContact CA-O 3.25Å; E1839-F1862 WeakPolarHBondContact CA-O 3.12Å; Y1840-F1862 HydrophobicContact CD1-CD2 4.47Å; Y1840-F1862 PolarHBondContact N-O 3.01Å; Y1840-F1862 PolarHBondContact O-N 3.04Å; A1842-F1862 HydrophobicContact CB-CD2 3.95Å; A1842-F1862 HydrophobicContact CB-CE2 3.59Å; M1847-F1862 HydrophobicContact CE-CZ 4.32Å; L1852-F1862 HydrophobicContact CD1-CE1 4.47Å; L1852-F1862 HydrophobicContact CD1-CZ 4.49Å; L1852-F1862 HydrophobicContact CD2-CE1 3.79Å; C1856-F1862 HydrophobicContact CB-CD1 4.37Å; C1856-F1862 HydrophobicContact CB-CE1 4.09Å; C1856-F1862 HydrophobicContact CB-CZ 4.27Å; C1856-F1862 WeakPolarHBondContact SG-CD1 3.45Å; R1860-F1862 HydrophobicContact CB-CE2 4.45Å; R1860-F1862 VanDerWaalsContact O-CD2 3.23Å; R1860-F1862 WeakPolarHBondContact O-CD2 3.31Å; R1860-F1862 WeakPolarHBondContact O-CE2 3.27Å
1863	S	92.1	Very high	93.3	Very high	15 Å²	15	23.5 Å²	23.5	11%	0.105	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	172.9	179.4	68.6	0	0	0	0	110.7	I1805 K1865 S1866 D1867	I1805-S1863 WeakPolarHBondContact CG2-O 3.2Å; S1863-K1865 PolarHBondContact O-N 2.84Å; S1863-K1865 PolarHBondContact OG-N 3.47Å; S1863-S1866 PolarHBondContact N-OG 3.31Å; S1863-S1866 PolarHBondContact O-N 3.04Å; S1863-S1866 PolarHBondContact O-OG 3.45Å; S1863-S1866 PolarHBondContact OG-N 3.36Å; S1863-S1866 VanDerWaalsContact OG-N 3.17Å; S1863-D1867 PolarHBondContact O-N 3.19Å; S1863-D1867 VanDerWaalsContact O-N 3.15Å
1864	S	91.8	Very high	93.4	Very high	38 Å²	38	23.5 Å²	23.5	27%	0.266	12%	0.117	S	C	.	.	H	α-helix	trans	-61.7	-25.1	170.5	56.4	0	0	0	0	112.6	S1800 D1867 V1868	S1800-S1864 WeakPolarHBondContact OG-CB 3.45Å; S1800-S1864 PolarHBondContact OG-OG 3.42Å; S1864-D1867 PolarHBondContact O-N 3.47Å; S1864-V1868 WeakPolarHBondContact O-CG2 3.38Å; S1864-V1868 PolarHBondContact O-N 3.3Å
1865	K	95.9	Very high	93.5	Very high	42 Å²	42	22.8 Å²	22.8	18%	0.183	11%	0.113	C	C	.	.	H	α-helix	trans	-74.6	-23.6	172.5	-61.1	-68.3	-160.9	166	0	113	S1863 W1869 P1926 R1929 P1930	S1863-K1865 PolarHBondContact O-N 2.84Å; S1863-K1865 PolarHBondContact OG-N 3.47Å; K1865-W1869 PolarHBondContact O-N 3.28Å; K1865-P1926 HydrophobicContact CB-CB 3.78Å; K1865-P1926 WeakPolarHBondContact CB-O 3.4Å; K1865-P1926 WeakPolarHBondContact CD-O 3.43Å; K1865-P1926 WeakPolarHBondContact CE-O 3.48Å; K1865-P1926 HydrophobicContact CG-CB 4.42Å; K1865-P1926 WeakPolarHBondContact CG-O 3.44Å; K1865-R1929 HydrophobicContact CD-CB 4.43Å; K1865-R1929 PolarHBondContact NZ-O 3.38Å; K1865-R1929 VanDerWaalsContact O-CD 3.29Å; K1865-R1929 WeakPolarHBondContact O-CD 3.41Å; K1865-R1929 PolarHBondContact O-NH1 2.81Å; K1865-P1930 PolarHBondContact NZ-O 3.14Å
1866	S	95.1	Very high	93.7	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.028	11%	0.112	C	C	.	.	H	α-helix	trans	-77.2	-33.5	169.5	72	0	0	0	0	112	E1855 C1856 S1863 V1868 W1869 A1870	E1855-S1866 VanDerWaalsContact OE1-CB 3.31Å; E1855-S1866 WeakPolarHBondContact OE1-CB 3.49Å; C1856-S1866 WeakPolarHBondContact SG-CB 3.4Å; C1856-S1866 PolarHBondContact SG-OG 3.22Å; S1863-S1866 PolarHBondContact N-OG 3.31Å; S1863-S1866 PolarHBondContact O-N 3.04Å; S1863-S1866 PolarHBondContact O-OG 3.45Å; S1863-S1866 PolarHBondContact OG-N 3.36Å; S1863-S1866 VanDerWaalsContact OG-N 3.17Å; S1866-V1868 VanDerWaalsContact C-N 3.32Å; S1866-W1869 WeakPolarHBondContact O-CB 3.2Å; S1866-W1869 PolarHBondContact O-N 2.84Å; S1866-A1870 PolarHBondContact O-N 2.95Å
1867	D	95.4	Very high	93.8	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-32.1	170.8	-68.6	-24.7	0	0	0	111.7	M1796 I1805 H1806 R1807 S1863 S1864 W1869 A1870 Y1871 F1932	M1796-D1867 HydrophobicContact CE-CB 3.65Å; I1805-D1867 WeakPolarHBondContact CA-OD2 3.41Å; I1805-D1867 VanDerWaalsContact CG2-OD2 3.22Å; I1805-D1867 WeakPolarHBondContact CG2-OD2 3.49Å; H1806-D1867 PolarHBondContact N-OD2 2.9Å; R1807-D1867 PolarHBondContact N-OD1 3Å; S1863-D1867 PolarHBondContact O-N 3.19Å; S1863-D1867 VanDerWaalsContact O-N 3.15Å; S1864-D1867 PolarHBondContact O-N 3.47Å; D1867-W1869 VanDerWaalsContact C-N 3.29Å; D1867-W1869 PolarHBondContact O-N 3.4Å; D1867-A1870 PolarHBondContact O-N 2.71Å; D1867-Y1871 WeakPolarHBondContact O-CB 3.25Å; D1867-Y1871 PolarHBondContact O-N 3.31Å; D1867-F1932 HydrophobicContact CB-CE2 3.94Å; D1867-F1932 HydrophobicContact CB-CZ 3.92Å
1868	V	97.5	Very high	94	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-38.4	172.2	162.4	0	0	0	0	111.9	S1864 S1866 Y1871 G1872 C1921 R1929 P1930 F1932 L1935	S1864-V1868 WeakPolarHBondContact O-CG2 3.38Å; S1864-V1868 PolarHBondContact O-N 3.3Å; S1866-V1868 VanDerWaalsContact C-N 3.32Å; V1868-Y1871 WeakPolarHBondContact O-CB 3.37Å; V1868-Y1871 PolarHBondContact O-N 3.41Å; V1868-G1872 PolarHBondContact O-N 3.14Å; V1868-C1921 HydrophobicContact CG1-CB 4.17Å; V1868-C1921 WeakPolarHBondContact O-CB 3.47Å; V1868-R1929 HydrophobicContact CG1-CB 3.99Å; V1868-P1930 HydrophobicContact CG1-CG 4.46Å; V1868-F1932 HydrophobicContact CB-CZ 4.34Å; V1868-F1932 HydrophobicContact CG2-CD1 4.18Å; V1868-F1932 HydrophobicContact CG2-CD2 3.73Å; V1868-F1932 HydrophobicContact CG2-CE1 4.02Å; V1868-F1932 HydrophobicContact CG2-CE2 3.54Å; V1868-F1932 HydrophobicContact CG2-CG 4.05Å; V1868-F1932 HydrophobicContact CG2-CZ 3.7Å; V1868-L1935 HydrophobicContact CG1-CD1 4Å; V1868-L1935 HydrophobicContact CG2-CD1 4.27Å
1869	W	97.2	Very high	94.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.5	-50.4	173	179.8	-70.9	0	0	0	111	L1852 A1853 I1854 K1865 S1866 D1867 Y1871 G1872 I1873 L1898 C1921 W1922	L1852-W1869 PolarHBondContact O-NE1 3.37Å; A1853-W1869 HydrophobicContact CB-CB 3.7Å; A1853-W1869 HydrophobicContact CB-CD2 3.89Å; A1853-W1869 HydrophobicContact CB-CE3 4.15Å; A1853-W1869 HydrophobicContact CB-CG 3.69Å; I1854-W1869 HydrophobicContact CD1-CH2 4.01Å; I1854-W1869 HydrophobicContact CD1-CZ3 4.22Å; I1854-W1869 HydrophobicContact CG1-CH2 3.81Å; I1854-W1869 HydrophobicContact CG1-CZ2 4.49Å; I1854-W1869 HydrophobicContact CG1-CZ3 4.09Å; K1865-W1869 PolarHBondContact O-N 3.28Å; S1866-W1869 WeakPolarHBondContact O-CB 3.2Å; S1866-W1869 PolarHBondContact O-N 2.84Å; D1867-W1869 VanDerWaalsContact C-N 3.29Å; D1867-W1869 PolarHBondContact O-N 3.4Å; W1869-Y1871 PolarHBondContact O-N 3.36Å; W1869-G1872 PolarHBondContact O-N 3.1Å; W1869-I1873 WeakPolarHBondContact O-CG1 3.46Å; W1869-I1873 PolarHBondContact O-N 3.28Å; W1869-L1898 HydrophobicContact CH2-CD1 4.2Å; W1869-L1898 HydrophobicContact CH2-CD2 4.08Å; W1869-L1898 HydrophobicContact CZ2-CD1 3.64Å; W1869-L1898 HydrophobicContact CZ2-CD2 3.71Å; W1869-L1898 HydrophobicContact CZ2-CG 4.21Å; W1869-C1921 WeakPolarHBondContact CA-O 3.23Å; W1869-W1922 HydrophobicContact CD2-CB 4.34Å; W1869-W1922 AromaticContact CD2-CD1 3.77Å; W1869-W1922 HydrophobicContact CD2-CG 4.42Å; W1869-W1922 AromaticContact CE2-CD1 3.87Å; W1869-W1922 HydrophobicContact CE3-CB 4.05Å; W1869-W1922 AromaticContact CG-CD1 3.89Å; W1869-W1922 HydrophobicContact CH2-CB 4.11Å; W1869-W1922 HydrophobicContact CZ2-CB 4.38Å; W1869-W1922 HydrophobicContact CZ3-CB 3.94Å; W1869-W1922 VanDerWaalsContact CZ3-O 3.28Å; W1869-W1922 WeakPolarHBondContact CZ3-O 3.23Å; W1869-W1922 PolarHBondContact O-NE1 2.89Å
1870	A	96.7	Very high	94.4	Very high	4 Å²	4	13 Å²	13	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-61	-32	178.2	0	0	0	0	0	112.8	L1809 W1851 S1866 D1867 I1873 T1874	L1809-A1870 HydrophobicContact CB-CB 4.16Å; W1851-A1870 HydrophobicContact CB-CB 4.47Å; W1851-A1870 WeakPolarHBondContact O-CA 3.42Å; W1851-A1870 VanDerWaalsContact O-CB 3.3Å; W1851-A1870 WeakPolarHBondContact O-CB 3.36Å; S1866-A1870 PolarHBondContact O-N 2.95Å; D1867-A1870 PolarHBondContact O-N 2.71Å; A1870-I1873 WeakPolarHBondContact O-CB 3.48Å; A1870-I1873 PolarHBondContact O-N 3.27Å; A1870-T1874 PolarHBondContact O-N 3.3Å; A1870-T1874 PolarHBondContact O-OG1 2.63Å
1871	Y	97.3	Very high	94.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.3	-45.4	170.9	175.6	-101.5	0	0	0	112.5	S1789 I1792 A1793 L1809 D1867 V1868 W1869 I1873 T1874 L1875 F1932 L1935 L1939	S1789-Y1871 PolarHBondContact O-OH 3.02Å; I1792-Y1871 HydrophobicContact CB-CD2 4.47Å; I1792-Y1871 HydrophobicContact CB-CE2 3.96Å; I1792-Y1871 HydrophobicContact CG2-CD2 3.69Å; I1792-Y1871 HydrophobicContact CG2-CE2 3.68Å; A1793-Y1871 HydrophobicContact CB-CE2 4.2Å; L1809-Y1871 HydrophobicContact CD2-CD2 4.15Å; L1809-Y1871 HydrophobicContact CD2-CG 4.49Å; D1867-Y1871 WeakPolarHBondContact O-CB 3.25Å; D1867-Y1871 PolarHBondContact O-N 3.31Å; V1868-Y1871 WeakPolarHBondContact O-CB 3.37Å; V1868-Y1871 PolarHBondContact O-N 3.41Å; W1869-Y1871 PolarHBondContact O-N 3.36Å; Y1871-I1873 VanDerWaalsContact C-N 3.27Å; Y1871-I1873 PolarHBondContact O-N 3.27Å; Y1871-T1874 CarbonylContact O-C 3.51Å; Y1871-T1874 WeakPolarHBondContact O-CA 3Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.48Å; Y1871-T1874 PolarHBondContact O-N 3.28Å; Y1871-L1875 HydrophobicContact CD1-CD1 4.25Å; Y1871-L1875 HydrophobicContact CD1-CG 4.32Å; Y1871-L1875 HydrophobicContact CE1-CD1 3.57Å; Y1871-L1875 HydrophobicContact CE1-CD2 4.26Å; Y1871-L1875 HydrophobicContact CE1-CG 3.88Å; Y1871-L1875 HydrophobicContact CE2-CD2 4.1Å; Y1871-L1875 HydrophobicContact CE2-CG 4.39Å; Y1871-L1875 PolarHBondContact O-N 2.97Å; Y1871-F1932 HydrophobicContact CD1-CE1 4.21Å; Y1871-F1932 HydrophobicContact CD2-CE1 4.06Å; Y1871-F1932 HydrophobicContact CG-CD1 4.45Å; Y1871-F1932 AromaticContact CG-CE1 3.69Å; Y1871-F1932 HydrophobicContact CG-CE1 3.69Å; Y1871-L1935 HydrophobicContact CD1-CD1 3.78Å; Y1871-L1935 HydrophobicContact CE1-CB 4.41Å; Y1871-L1935 HydrophobicContact CE1-CD1 3.91Å; Y1871-L1939 WeakPolarHBondContact OH-CD1 3.09Å
1872	G	96.9	Very high	94.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.4	-42.3	172	0	0	0	0	0	112.1	V1868 W1869 T1874 L1875 W1876 W1922	V1868-G1872 PolarHBondContact O-N 3.14Å; W1869-G1872 PolarHBondContact O-N 3.1Å; G1872-T1874 VanDerWaalsContact C-N 3.33Å; G1872-T1874 PolarHBondContact O-N 2.94Å; G1872-L1875 PolarHBondContact O-N 3.14Å; G1872-W1876 PolarHBondContact O-N 3.34Å; G1872-W1876 VanDerWaalsContact O-N 3.1Å; G1872-W1922 VanDerWaalsContact C-CZ2 3.45Å; G1872-W1922 VanDerWaalsContact O-CZ2 3.3Å; G1872-W1922 WeakPolarHBondContact O-CZ2 3.4Å
1873	I	97.3	Very high	94.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.1	-42.2	173.4	-56.5	-66.1	0	0	0	111	W1851 W1869 A1870 Y1871 W1876 E1877 P1885 Y1886 L1904 W1922	W1851-I1873 VanDerWaalsContact CD1-CG2 3.47Å; W1851-I1873 HydrophobicContact CG-CG2 4.1Å; W1869-I1873 WeakPolarHBondContact O-CG1 3.46Å; W1869-I1873 PolarHBondContact O-N 3.28Å; A1870-I1873 WeakPolarHBondContact O-CB 3.48Å; A1870-I1873 PolarHBondContact O-N 3.27Å; Y1871-I1873 VanDerWaalsContact C-N 3.27Å; Y1871-I1873 PolarHBondContact O-N 3.27Å; I1873-W1876 WeakPolarHBondContact O-CB 3.36Å; I1873-W1876 PolarHBondContact O-N 3.31Å; I1873-E1877 PolarHBondContact O-N 3.12Å; I1873-P1885 HydrophobicContact CG2-CB 3.3Å; I1873-P1885 HydrophobicContact CG2-CG 3.86Å; I1873-Y1886 HydrophobicContact CD1-CE2 3.91Å; I1873-L1904 HydrophobicContact CD1-CD1 3.57Å; I1873-L1904 HydrophobicContact CD1-CG 4.49Å; I1873-W1922 HydrophobicContact CD1-CZ2 4.01Å
1874	T	96.6	Very high	94.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.5	-56.1	0	0	0	0	112	I1792 A1810 A1811 A1870 Y1871 G1872 W1876 E1877 M1878	I1792-T1874 HydrophobicContact CD1-CG2 4.32Å; A1810-T1874 WeakPolarHBondContact CA-OG1 3.32Å; A1811-T1874 HydrophobicContact CB-CG2 4.42Å; A1870-T1874 PolarHBondContact O-N 3.3Å; A1870-T1874 PolarHBondContact O-OG1 2.63Å; Y1871-T1874 CarbonylContact O-C 3.51Å; Y1871-T1874 WeakPolarHBondContact O-CA 3Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.48Å; Y1871-T1874 PolarHBondContact O-N 3.28Å; G1872-T1874 VanDerWaalsContact C-N 3.33Å; G1872-T1874 PolarHBondContact O-N 2.94Å; T1874-W1876 VanDerWaalsContact C-N 3.3Å; T1874-W1876 PolarHBondContact O-N 3.44Å; T1874-E1877 PolarHBondContact O-N 3.39Å; T1874-M1878 HydrophobicContact CG2-SD 4.25Å; T1874-M1878 VanDerWaalsContact O-CG 3.31Å; T1874-M1878 WeakPolarHBondContact O-CG 3.36Å; T1874-M1878 PolarHBondContact O-N 3.42Å
1875	L	96.7	Very high	94.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.8	-37.2	173.6	-65.8	-170.5	0	0	0	112	S1789 Y1871 G1872 M1878 C1879 M1918	S1789-L1875 VanDerWaalsContact OG-CD2 3.27Å; S1789-L1875 WeakPolarHBondContact OG-CD2 3.38Å; Y1871-L1875 HydrophobicContact CD1-CD1 4.25Å; Y1871-L1875 HydrophobicContact CD1-CG 4.32Å; Y1871-L1875 HydrophobicContact CE1-CD1 3.57Å; Y1871-L1875 HydrophobicContact CE1-CD2 4.26Å; Y1871-L1875 HydrophobicContact CE1-CG 3.88Å; Y1871-L1875 HydrophobicContact CE2-CD2 4.1Å; Y1871-L1875 HydrophobicContact CE2-CG 4.39Å; Y1871-L1875 PolarHBondContact O-N 2.97Å; G1872-L1875 PolarHBondContact O-N 3.14Å; L1875-M1878 HydrophobicContact CD2-CE 4.35Å; L1875-M1878 HydrophobicContact CD2-SD 4.26Å; L1875-M1878 PolarHBondContact O-N 2.8Å; L1875-C1879 WeakPolarHBondContact O-CB 3.31Å; L1875-C1879 PolarHBondContact O-N 3.44Å; L1875-C1879 PolarHBondContact O-SG 3Å; L1875-M1918 HydrophobicContact CB-CE 4.06Å
1876	W	96.3	Very high	94.4	Very high	16 Å²	16	10.3 Å²	10.3	6%	0.061	5%	0.049	C	C	.	.	H	α-helix	trans	-67.7	-43.7	174.7	-171.3	96.7	0	0	0	112.1	G1872 I1873 T1874 M1878 C1879 T1880 H1883 P1885 L1904 P1905 P1907 M1918 W1922	G1872-W1876 PolarHBondContact O-N 3.34Å; G1872-W1876 VanDerWaalsContact O-N 3.1Å; I1873-W1876 WeakPolarHBondContact O-CB 3.36Å; I1873-W1876 PolarHBondContact O-N 3.31Å; T1874-W1876 VanDerWaalsContact C-N 3.3Å; T1874-W1876 PolarHBondContact O-N 3.44Å; W1876-M1878 VanDerWaalsContact C-N 3.26Å; W1876-M1878 PolarHBondContact O-N 2.83Å; W1876-C1879 PolarHBondContact O-N 3.4Å; W1876-T1880 HydrophobicContact CD2-CG2 3.85Å; W1876-T1880 HydrophobicContact CE3-CG2 4.1Å; W1876-T1880 HydrophobicContact CG-CG2 4.49Å; W1876-T1880 HydrophobicContact CH2-CG2 3.97Å; W1876-T1880 HydrophobicContact CZ2-CG2 3.72Å; W1876-T1880 HydrophobicContact CZ3-CG2 4.14Å; W1876-T1880 WeakPolarHBondContact CZ3-OG1 3.46Å; W1876-T1880 WeakPolarHBondContact O-CB 3.38Å; W1876-T1880 WeakPolarHBondContact O-CG2 3.35Å; W1876-T1880 PolarHBondContact O-N 2.88Å; W1876-T1880 PolarHBondContact O-OG1 3.45Å; W1876-H1883 HydrophobicContact CH2-CB 4.03Å; W1876-H1883 HydrophobicContact CZ3-CB 4.01Å; W1876-P1885 HydrophobicContact CE3-CB 4.35Å; W1876-P1885 HydrophobicContact CZ3-CB 4.49Å; W1876-L1904 HydrophobicContact CB-CD1 3.85Å; W1876-L1904 HydrophobicContact CD2-CB 4.28Å; W1876-L1904 HydrophobicContact CD2-CD1 3.7Å; W1876-L1904 HydrophobicContact CD2-CD2 4.18Å; W1876-L1904 HydrophobicContact CD2-CG 4.28Å; W1876-L1904 HydrophobicContact CE3-CD1 4.11Å; W1876-L1904 HydrophobicContact CE3-CD2 4.41Å; W1876-L1904 HydrophobicContact CG-CB 4.11Å; W1876-L1904 HydrophobicContact CG-CD1 3.58Å; W1876-L1904 HydrophobicContact CG-CG 4.33Å; W1876-L1904 HydrophobicContact CH2-CD2 4.31Å; W1876-L1904 HydrophobicContact CZ2-CD2 4.04Å; W1876-L1904 HydrophobicContact CZ3-CD2 4.5Å; W1876-P1905 HydrophobicContact CZ2-CG 4.49Å; W1876-P1905 PolarHBondContact NE1-O 3.11Å; W1876-P1907 VanDerWaalsContact CD1-CG 3.46Å; W1876-P1907 HydrophobicContact CG-CG 4.2Å; W1876-M1918 HydrophobicContact CB-SD 4.04Å; W1876-W1922 HydrophobicContact CB-CH2 4.19Å; W1876-W1922 HydrophobicContact CB-CZ2 4.19Å; W1876-W1922 HydrophobicContact CG-CH2 4.42Å
1877	E	96	Very high	93.9	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	6%	0.063	C	C	.	.	H	α-helix	trans	-55.7	-42.8	172.2	-70.4	-176.4	112.6	0	0	111	I1773 A1811 W1851 I1873 T1874 T1880 F1881 G1882 P1885	I1773-E1877 VanDerWaalsContact CD1-O 3.31Å; I1773-E1877 WeakPolarHBondContact CD1-O 3.49Å; A1811-E1877 HydrophobicContact CB-CB 3.82Å; A1811-E1877 HydrophobicContact CB-CG 4.44Å; A1811-E1877 PolarHBondContact N-OE2 3.14Å; W1851-E1877 WeakPolarHBondContact CZ2-OE1 3.39Å; W1851-E1877 VanDerWaalsContact NE1-CD 3.3Å; W1851-E1877 PolarHBondContact NE1-OE1 2.91Å; W1851-E1877 PolarHBondContact NE1-OE2 2.88Å; I1873-E1877 PolarHBondContact O-N 3.12Å; T1874-E1877 PolarHBondContact O-N 3.39Å; E1877-T1880 PolarHBondContact O-OG1 2.9Å; E1877-F1881 PolarHBondContact O-N 3.37Å; E1877-G1882 PolarHBondContact O-N 3.48Å; E1877-P1885 HydrophobicContact CG-CB 4Å; E1877-P1885 HydrophobicContact CG-CG 3.89Å; E1877-P1885 WeakPolarHBondContact OE1-CD 3.26Å
1878	M	94.3	Very high	93.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-48.2	177.4	-73.1	167.4	48.9	0	0	112.9	L1769 L1785 W1788 S1789 I1792 T1874 L1875 W1876 T1880 F1881	L1769-M1878 HydrophobicContact CD2-CG 3.96Å; L1769-M1878 HydrophobicContact CD2-SD 3.86Å; L1785-M1878 HydrophobicContact CD2-CB 4.17Å; L1785-M1878 WeakPolarHBondContact O-CE 3.45Å; W1788-M1878 HydrophobicContact CB-CE 3.75Å; W1788-M1878 HydrophobicContact CE3-CE 4.48Å; S1789-M1878 WeakPolarHBondContact OG-CE 2.94Å; I1792-M1878 HydrophobicContact CD1-SD 3.72Å; T1874-M1878 HydrophobicContact CG2-SD 4.25Å; T1874-M1878 VanDerWaalsContact O-CG 3.31Å; T1874-M1878 WeakPolarHBondContact O-CG 3.36Å; T1874-M1878 PolarHBondContact O-N 3.42Å; L1875-M1878 HydrophobicContact CD2-CE 4.35Å; L1875-M1878 HydrophobicContact CD2-SD 4.26Å; L1875-M1878 PolarHBondContact O-N 2.8Å; W1876-M1878 VanDerWaalsContact C-N 3.26Å; W1876-M1878 PolarHBondContact O-N 2.83Å; M1878-T1880 VanDerWaalsContact C-N 3.32Å; M1878-T1880 PolarHBondContact O-N 3.35Å; M1878-F1881 PolarHBondContact O-N 3.16Å
1879	C	92.3	Very high	93	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-70.9	-27.5	-177.3	-63.8	0	0	0	0	112.8	L1875 W1876 F1881 P1907 T1909 T1910 M1918	L1875-C1879 WeakPolarHBondContact O-CB 3.31Å; L1875-C1879 PolarHBondContact O-N 3.44Å; L1875-C1879 PolarHBondContact O-SG 3Å; W1876-C1879 PolarHBondContact O-N 3.4Å; C1879-F1881 VanDerWaalsContact C-N 3.32Å; C1879-P1907 HydrophobicContact CB-CB 3.91Å; C1879-P1907 HydrophobicContact CB-CG 3.92Å; C1879-T1909 WeakPolarHBondContact O-CG2 3.47Å; C1879-T1909 PolarHBondContact O-OG1 2.59Å; C1879-T1910 HydrophobicContact CB-CG2 3.76Å; C1879-M1918 HydrophobicContact CB-CE 4.16Å
1880	T	91.6	Very high	92.3	Very high	17 Å²	17	20.6 Å²	20.6	10%	0.104	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	13	173.9	58.2	0	0	0	0	113.6	W1876 E1877 M1878 G1882 H1883 P1907	W1876-T1880 HydrophobicContact CD2-CG2 3.85Å; W1876-T1880 HydrophobicContact CE3-CG2 4.1Å; W1876-T1880 HydrophobicContact CG-CG2 4.49Å; W1876-T1880 HydrophobicContact CH2-CG2 3.97Å; W1876-T1880 HydrophobicContact CZ2-CG2 3.72Å; W1876-T1880 HydrophobicContact CZ3-CG2 4.14Å; W1876-T1880 WeakPolarHBondContact CZ3-OG1 3.46Å; W1876-T1880 WeakPolarHBondContact O-CB 3.38Å; W1876-T1880 WeakPolarHBondContact O-CG2 3.35Å; W1876-T1880 PolarHBondContact O-N 2.88Å; W1876-T1880 PolarHBondContact O-OG1 3.45Å; E1877-T1880 PolarHBondContact O-OG1 2.9Å; M1878-T1880 VanDerWaalsContact C-N 3.32Å; M1878-T1880 PolarHBondContact O-N 3.35Å; T1880-G1882 PolarHBondContact O-N 2.91Å; T1880-G1882 VanDerWaalsContact O-N 3.14Å; T1880-H1883 PolarHBondContact O-CD2 3.36Å; T1880-H1883 PolarHBondContact O-N 2.91Å; T1880-P1907 HydrophobicContact CG2-CB 3.82Å; T1880-P1907 HydrophobicContact CG2-CG 3.92Å
1881	F	89.9	Confident	91.6	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.066	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	32.7	178.8	-52.3	-53	0	0	0	114.7	W1777 I1780 L1785 E1877 M1878 C1879 T1909 I1952	W1777-F1881 HydrophobicContact CB-CB 3.9Å; W1777-F1881 HydrophobicContact CB-CD1 4.04Å; W1777-F1881 HydrophobicContact CB-CD2 4.29Å; W1777-F1881 HydrophobicContact CB-CG 3.82Å; I1780-F1881 HydrophobicContact CB-CE1 4.22Å; I1780-F1881 HydrophobicContact CD1-CD1 3.67Å; I1780-F1881 HydrophobicContact CD1-CE1 3.9Å; I1780-F1881 HydrophobicContact CG2-CE1 4.16Å; L1785-F1881 HydrophobicContact CD1-CE1 4.44Å; E1877-F1881 PolarHBondContact O-N 3.37Å; M1878-F1881 PolarHBondContact O-N 3.16Å; C1879-F1881 VanDerWaalsContact C-N 3.32Å; F1881-T1909 HydrophobicContact CE2-CG2 3.75Å; F1881-T1909 HydrophobicContact CZ-CG2 3.92Å; F1881-I1952 HydrophobicContact CE1-CD1 4.39Å; F1881-I1952 HydrophobicContact CZ-CD1 3.97Å; F1881-I1952 HydrophobicContact CZ-CG1 4.1Å; F1881-I1952 HydrophobicContact CZ-CG2 4.16Å
1882	G	90.1	Very high	90.9	Very high	6 Å²	6	26.5 Å²	26.5	6%	0.062	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	21.2	174.2	0	0	0	0	0	115.7	K1774 E1877 T1880	K1774-G1882 WeakPolarHBondContact CE-O 3.3Å; E1877-G1882 PolarHBondContact O-N 3.48Å; T1880-G1882 PolarHBondContact O-N 2.91Å; T1880-G1882 VanDerWaalsContact O-N 3.14Å
1883	H	90.3	Very high	90.7	Very high	85 Å²	85	28.5 Å²	28.5	39%	0.394	14%	0.142	S	C	.	.			trans	-55.6	147.1	161.4	-73.9	-148.6	0	0	0	109.5	W1876 T1880 N1960	W1876-H1883 HydrophobicContact CH2-CB 4.03Å; W1876-H1883 HydrophobicContact CZ3-CB 4.01Å; T1880-H1883 PolarHBondContact O-CD2 3.36Å; T1880-H1883 PolarHBondContact O-N 2.91Å; H1883-N1960 PolarHBondContact NE2-ND2 3.08Å
1884	R	89.8	Confident	90.3	Very high	50 Å²	50	28.5 Å²	28.5	19%	0.189	14%	0.142	C	C	.	.			trans	-71.2	132.2	-177.4	-59.2	-177.1	176.9	72.2	2.7	108.3	Y1886 E1887 I2183 N2184 V2186	R1884-Y1886 CarbonylContact O-C 3.16Å; R1884-Y1886 PolarHBondContact O-N 2.67Å; R1884-E1887 WeakPolarHBondContact CB-OE2 3.47Å; R1884-E1887 PolarHBondContact N-OE2 2.9Å; R1884-E1887 IonicContact NH1-OE1 3.26Å; R1884-E1887 PolarHBondContact O-N 3.14Å; R1884-I2183 PolarHBondContact NH2-O 3.01Å; R1884-N2184 PolarHBondContact NE-O 2.98Å; R1884-V2186 WeakPolarHBondContact CD-O 3.31Å; R1884-V2186 VanDerWaalsContact CZ-CG1 3.49Å; R1884-V2186 VanDerWaalsContact NH1-CG1 3.29Å
1885	P	92.6	Very high	90.1	Very high	2 Å²	2	30 Å²	30	1%	0.013	15%	0.15	C	C	.	.	S	Bend	trans	-66.5	113	-173.4	22.7	-29.6	0	0	0	108.8	K1850 W1851 I1873 W1876 E1877	K1850-P1885 HydrophobicContact CD-CG 4.36Å; K1850-P1885 WeakPolarHBondContact CD-O 3.09Å; W1851-P1885 HydrophobicContact CD2-CG 4.19Å; W1851-P1885 VanDerWaalsContact CE2-CG 3.42Å; W1851-P1885 HydrophobicContact CH2-CG 4.09Å; W1851-P1885 HydrophobicContact CZ2-CG 3.37Å; I1873-P1885 HydrophobicContact CG2-CB 3.3Å; I1873-P1885 HydrophobicContact CG2-CG 3.86Å; W1876-P1885 HydrophobicContact CE3-CB 4.35Å; W1876-P1885 HydrophobicContact CZ3-CB 4.49Å; E1877-P1885 HydrophobicContact CG-CB 4Å; E1877-P1885 HydrophobicContact CG-CG 3.89Å; E1877-P1885 WeakPolarHBondContact OE1-CD 3.26Å
1886	Y	92.7	Very high	89.7	Confident	10 Å²	10	34.3 Å²	34.3	4%	0.039	17%	0.173	C	C	.	.			trans	56.7	117.4	-154	-44.7	-89.1	0	0	0	109.9	K1850 I1873 R1884 N1888 I1889 L1894 F1897 L1898 L1904 L2188	K1850-Y1886 PolarHBondContact NZ-O 3.27Å; I1873-Y1886 HydrophobicContact CD1-CE2 3.91Å; R1884-Y1886 CarbonylContact O-C 3.16Å; R1884-Y1886 PolarHBondContact O-N 2.67Å; Y1886-N1888 VanDerWaalsContact C-N 3.32Å; Y1886-I1889 HydrophobicContact CD1-CD1 3.9Å; Y1886-I1889 HydrophobicContact CE1-CD1 4.44Å; Y1886-I1889 HydrophobicContact CG-CD1 4.19Å; Y1886-L1894 HydrophobicContact CD2-CD1 4.43Å; Y1886-L1894 HydrophobicContact CE2-CD1 4.29Å; Y1886-F1897 HydrophobicContact CD1-CE1 4.07Å; Y1886-F1897 HydrophobicContact CD1-CZ 4.2Å; Y1886-F1897 AromaticContact CE1-CE1 3.63Å; Y1886-F1897 HydrophobicContact CE1-CE1 3.63Å; Y1886-F1897 HydrophobicContact CE1-CZ 4.08Å; Y1886-L1898 WeakPolarHBondContact OH-CD2 3.3Å; Y1886-L1904 HydrophobicContact CD1-CD2 3.27Å; Y1886-L1904 HydrophobicContact CD1-CG 3.92Å; Y1886-L1904 HydrophobicContact CD2-CD2 3.8Å; Y1886-L1904 HydrophobicContact CD2-CG 4.3Å; Y1886-L1904 HydrophobicContact CE1-CB 4.42Å; Y1886-L1904 HydrophobicContact CE1-CD2 3.49Å; Y1886-L1904 VanDerWaalsContact CE1-CD2 3.49Å; Y1886-L1904 HydrophobicContact CE1-CG 3.55Å; Y1886-L1904 HydrophobicContact CE2-CD1 4.26Å; Y1886-L1904 HydrophobicContact CE2-CD2 4Å; Y1886-L1904 HydrophobicContact CE2-CG 3.99Å; Y1886-L1904 HydrophobicContact CG-CD2 3.41Å; Y1886-L1904 VanDerWaalsContact CG-CD2 3.41Å; Y1886-L1904 HydrophobicContact CG-CG 4.25Å; Y1886-L2188 HydrophobicContact CG-CD2 4.43Å; Y1886-L2188 VanDerWaalsContact O-CD2 3.24Å; Y1886-L2188 WeakPolarHBondContact O-CD2 3.14Å
1887	E	85.1	Confident	89.6	Confident	70 Å²	70	33.6 Å²	33.6	33%	0.327	17%	0.17	S	C	.	.	S	Bend	trans	-85.2	-11.4	166	-158	76.1	-163.6	0	0	109.6	R1884 T2187 P2189	R1884-E1887 WeakPolarHBondContact CB-OE2 3.47Å; R1884-E1887 PolarHBondContact N-OE2 2.9Å; R1884-E1887 IonicContact NH1-OE1 3.26Å; R1884-E1887 PolarHBondContact O-N 3.14Å; E1887-T2187 CarbonylContact C-O 3.52Å; E1887-T2187 HydrophobicContact CG-CG2 4.34Å; E1887-T2187 CarbonylContact O-C 3.55Å; E1887-T2187 VanDerWaalsContact O-CB 3.23Å; E1887-T2187 WeakPolarHBondContact O-CB 3.46Å; E1887-T2187 WeakPolarHBondContact OE1-CB 3.36Å; E1887-T2187 PolarHBondContact OE1-OG1 2.87Å; E1887-P2189 WeakPolarHBondContact O-CD 3.04Å
1888	N	86.6	Confident	89.5	Confident	62 Å²	62	33.6 Å²	33.6	33%	0.332	17%	0.171	S	C	.	.	S	Bend	trans	-144.4	134	-172.6	-92.9	-66.7	0	0	0	111.3	Y1886 L2188 P2189 N2190 Q2191	Y1886-N1888 VanDerWaalsContact C-N 3.32Å; N1888-L2188 VanDerWaalsContact N-CD2 3.3Å; N1888-L2188 WeakPolarHBondContact O-CD2 3.38Å; N1888-P2189 WeakPolarHBondContact OD1-CB 3.29Å; N1888-P2189 VanDerWaalsContact OD1-CG 3.23Å; N1888-P2189 WeakPolarHBondContact OD1-CG 3.35Å; N1888-N2190 VanDerWaalsContact CB-C 3.44Å; N1888-N2190 PolarHBondContact OD1-N 3.03Å; N1888-Q2191 WeakPolarHBondContact CB-O 3.44Å; N1888-Q2191 PolarHBondContact O-N 3.02Å
1889	I	86.6	Confident	89.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.			trans	128.9	37.6	-145.7	67.5	67.7	0	0	0	120.8	Y1886 A1891 N1893 L1894 F1897 L2188 P2189 N2190 Q2191	Y1886-I1889 HydrophobicContact CD1-CD1 3.9Å; Y1886-I1889 HydrophobicContact CE1-CD1 4.44Å; Y1886-I1889 HydrophobicContact CG-CD1 4.19Å; I1889-A1891 PolarHBondContact O-N 2.76Å; I1889-A1891 VanDerWaalsContact O-N 3.14Å; I1889-N1893 HydrophobicContact CB-CB 4.36Å; I1889-N1893 HydrophobicContact CG2-CB 3.48Å; I1889-N1893 VanDerWaalsContact CG2-CB 3.48Å; I1889-L1894 HydrophobicContact CD1-CD1 3.45Å; I1889-L1894 VanDerWaalsContact CD1-CD1 3.45Å; I1889-F1897 HydrophobicContact CD1-CB 4.34Å; I1889-F1897 HydrophobicContact CD1-CD1 3.33Å; I1889-F1897 HydrophobicContact CD1-CD2 3.8Å; I1889-F1897 HydrophobicContact CD1-CE1 3.3Å; I1889-F1897 HydrophobicContact CD1-CE2 3.7Å; I1889-F1897 HydrophobicContact CD1-CG 3.58Å; I1889-F1897 HydrophobicContact CD1-CZ 3.46Å; I1889-F1897 VanDerWaalsContact CD1-CZ 3.46Å; I1889-F1897 HydrophobicContact CG1-CB 4.11Å; I1889-F1897 HydrophobicContact CG1-CD1 3.88Å; I1889-F1897 HydrophobicContact CG1-CD2 3.39Å; I1889-F1897 HydrophobicContact CG1-CE1 4.06Å; I1889-F1897 HydrophobicContact CG1-CE2 3.52Å; I1889-F1897 HydrophobicContact CG1-CG 3.54Å; I1889-F1897 HydrophobicContact CG1-CZ 3.85Å; I1889-L2188 WeakPolarHBondContact O-CB 3.18Å; I1889-L2188 WeakPolarHBondContact O-CD1 3.23Å; I1889-L2188 WeakPolarHBondContact O-CG 3.05Å; I1889-P2189 CarbonylContact C-O 3.23Å; I1889-P2189 PolarHBondContact N-O 3.32Å; I1889-P2189 VanDerWaalsContact N-O 3.14Å; I1889-N2190 WeakPolarHBondContact CG2-OD1 3.09Å; I1889-N2190 VanDerWaalsContact N-CA 3.31Å; I1889-N2190 VanDerWaalsContact N-N 3.12Å; I1889-Q2191 HydrophobicContact CB-CG 4.47Å; I1889-Q2191 HydrophobicContact CG1-CB 4.49Å; I1889-Q2191 HydrophobicContact CG1-CG 4.06Å; I1889-Q2191 HydrophobicContact CG2-CG 3.62Å; I1889-Q2191 VanDerWaalsContact N-N 3.13Å
1890	H	83.3	Confident	89.1	Confident	92 Å²	92	44.6 Å²	44.6	43%	0.426	22%	0.22	S	C	.	.			trans	-33.2	121.3	177.9	-83.6	-54.4	0	0	0	111.5	K1892 N1893 L2188 P2189	H1890-K1892 CarbonylContact O-C 3.57Å; H1890-K1892 PolarHBondContact O-N 3.31Å; H1890-N1893 WeakPolarHBondContact O-CA 3.18Å; H1890-N1893 WeakPolarHBondContact O-CB 3.14Å; H1890-N1893 PolarHBondContact O-N 2.95Å; H1890-L2188 WeakPolarHBondContact CA-O 3.33Å; H1890-L2188 PolarHBondContact CE1-O 2.94Å; H1890-L2188 PolarHBondContact N-O 3.34Å; H1890-L2188 VanDerWaalsContact N-O 3.11Å; H1890-L2188 PolarHBondContact ND1-O 3.4Å; H1890-P2189 WeakPolarHBondContact CB-O 3.36Å; H1890-P2189 PolarHBondContact CD2-O 2.97Å; H1890-P2189 PolarHBondContact N-O 3.34Å
1891	A	81.4	Confident	88.9	Confident	45 Å²	45	45.5 Å²	45.5	37%	0.372	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-12.9	-155.7	0	0	0	0	0	117.3	I1849 I1889	I1849-A1891 HydrophobicContact CB-CB 4.26Å; I1849-A1891 HydrophobicContact CD1-CB 4.2Å; I1849-A1891 HydrophobicContact CG2-CB 3.93Å; I1889-A1891 PolarHBondContact O-N 2.76Å; I1889-A1891 VanDerWaalsContact O-N 3.14Å
1892	K	83.1	Confident	89.1	Confident	84 Å²	84	44.8 Å²	44.8	37%	0.365	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-46.1	165.3	52.2	148.7	-178.6	172.6	0	113.4	D743 E744 H1890 L1894	D743-K1892 HydrophobicContact CB-CD 4.05Å; E744-K1892 IonicContact OE1-NZ 4Å; E744-K1892 PolarHBondContact OE1-NZ 3.2Å; H1890-K1892 CarbonylContact O-C 3.57Å; H1890-K1892 PolarHBondContact O-N 3.31Å; K1892-L1894 PolarHBondContact O-N 2.84Å; K1892-L1894 VanDerWaalsContact O-N 3.16Å
1893	N	91.3	Very high	89.2	Confident	42 Å²	42	45.9 Å²	45.9	23%	0.225	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-3	178.3	-58.1	11.9	0	0	0	113.7	I1889 H1890 F1897 N2190	I1889-N1893 HydrophobicContact CB-CB 4.36Å; I1889-N1893 HydrophobicContact CG2-CB 3.48Å; I1889-N1893 VanDerWaalsContact CG2-CB 3.48Å; H1890-N1893 WeakPolarHBondContact O-CA 3.18Å; H1890-N1893 WeakPolarHBondContact O-CB 3.14Å; H1890-N1893 PolarHBondContact O-N 2.95Å; N1893-F1897 VanDerWaalsContact O-CB 3.23Å; N1893-F1897 WeakPolarHBondContact O-CB 3.14Å; N1893-N2190 PolarHBondContact ND2-OD1 3.5Å
1894	L	90.2	Very high	89.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.7	-178.2	177.6	62	0	0	0	112.3	I1849 I1857 Y1886 I1889 K1892 F1897 L1898	I1849-L1894 HydrophobicContact CG2-CD2 3.75Å; I1849-L1894 WeakPolarHBondContact O-CD2 3.31Å; I1857-L1894 HydrophobicContact CD1-CD2 3.92Å; I1857-L1894 HydrophobicContact CD1-CG 4.23Å; Y1886-L1894 HydrophobicContact CD2-CD1 4.43Å; Y1886-L1894 HydrophobicContact CE2-CD1 4.29Å; I1889-L1894 HydrophobicContact CD1-CD1 3.45Å; I1889-L1894 VanDerWaalsContact CD1-CD1 3.45Å; K1892-L1894 PolarHBondContact O-N 2.84Å; K1892-L1894 VanDerWaalsContact O-N 3.16Å; L1894-F1897 HydrophobicContact CD1-CD1 4.19Å; L1894-F1897 WeakPolarHBondContact O-CB 3.33Å; L1894-L1898 HydrophobicContact CD1-CD1 3.91Å; L1894-L1898 HydrophobicContact CD1-CD2 4.31Å; L1894-L1898 HydrophobicContact CD1-CG 3.88Å; L1894-L1898 HydrophobicContact CG-CD1 3.95Å; L1894-L1898 HydrophobicContact CG-CG 4.3Å; L1894-L1898 VanDerWaalsContact O-CG 3.29Å; L1894-L1898 WeakPolarHBondContact O-CG 3.46Å; L1894-L1898 PolarHBondContact O-N 3.12Å
1895	L	91	Very high	89.6	Confident	31 Å²	31	43.4 Å²	43.4	16%	0.162	23%	0.229	C	C	.	.	H	α-helix	trans	-70.5	-59.5	-178	-176.1	59.5	0	0	0	111.5	I1854 I1857 Q1858 F1897 L1898 E1899	I1854-L1895 HydrophobicContact CG2-CD1 3.84Å; I1857-L1895 HydrophobicContact CB-CD1 4.44Å; I1857-L1895 HydrophobicContact CG2-CB 4.1Å; I1857-L1895 HydrophobicContact CG2-CD1 4.27Å; I1857-L1895 HydrophobicContact CG2-CD2 4.42Å; Q1858-L1895 HydrophobicContact CB-CD1 4.19Å; Q1858-L1895 HydrophobicContact CB-CD2 4.07Å; Q1858-L1895 HydrophobicContact CG-CD2 4.28Å; L1895-F1897 CarbonylContact O-C 3.51Å; L1895-F1897 PolarHBondContact O-N 2.99Å; L1895-L1898 PolarHBondContact O-N 2.91Å; L1895-E1899 HydrophobicContact CD1-CG 4.04Å; L1895-E1899 HydrophobicContact CG-CG 4.31Å; L1895-E1899 WeakPolarHBondContact O-CG 3.27Å; L1895-E1899 PolarHBondContact O-N 3.12Å
1896	D	89.8	Confident	89.6	Confident	91 Å²	91	47 Å²	47	49%	0.487	25%	0.246	S	C	.	.	H	α-helix	trans	-50.8	-22.1	175.4	-50.4	23	0	0	0	113.8	K1900	D1896-K1900 WeakPolarHBondContact O-CD 3.49Å; D1896-K1900 WeakPolarHBondContact O-CE 3.37Å; D1896-K1900 WeakPolarHBondContact O-CG 3.27Å; D1896-K1900 PolarHBondContact O-NZ 2.88Å
1897	F	93.3	Very high	89.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.5	-55.5	176.5	168.4	-85.4	0	0	0	110.9	Y1886 I1889 N1893 L1894 L1895 E1899 K1900 N1902 Q2191 Y2192	Y1886-F1897 HydrophobicContact CD1-CE1 4.07Å; Y1886-F1897 HydrophobicContact CD1-CZ 4.2Å; Y1886-F1897 AromaticContact CE1-CE1 3.63Å; Y1886-F1897 HydrophobicContact CE1-CE1 3.63Å; Y1886-F1897 HydrophobicContact CE1-CZ 4.08Å; I1889-F1897 HydrophobicContact CD1-CB 4.34Å; I1889-F1897 HydrophobicContact CD1-CD1 3.33Å; I1889-F1897 HydrophobicContact CD1-CD2 3.8Å; I1889-F1897 HydrophobicContact CD1-CE1 3.3Å; I1889-F1897 HydrophobicContact CD1-CE2 3.7Å; I1889-F1897 HydrophobicContact CD1-CG 3.58Å; I1889-F1897 HydrophobicContact CD1-CZ 3.46Å; I1889-F1897 VanDerWaalsContact CD1-CZ 3.46Å; I1889-F1897 HydrophobicContact CG1-CB 4.11Å; I1889-F1897 HydrophobicContact CG1-CD1 3.88Å; I1889-F1897 HydrophobicContact CG1-CD2 3.39Å; I1889-F1897 HydrophobicContact CG1-CE1 4.06Å; I1889-F1897 HydrophobicContact CG1-CE2 3.52Å; I1889-F1897 HydrophobicContact CG1-CG 3.54Å; I1889-F1897 HydrophobicContact CG1-CZ 3.85Å; N1893-F1897 VanDerWaalsContact O-CB 3.23Å; N1893-F1897 WeakPolarHBondContact O-CB 3.14Å; L1894-F1897 HydrophobicContact CD1-CD1 4.19Å; L1894-F1897 WeakPolarHBondContact O-CB 3.33Å; L1895-F1897 CarbonylContact O-C 3.51Å; L1895-F1897 PolarHBondContact O-N 2.99Å; F1897-E1899 PolarHBondContact O-N 3.15Å; F1897-K1900 PolarHBondContact O-N 2.95Å; F1897-K1900 VanDerWaalsContact O-N 3.12Å; F1897-N1902 HydrophobicContact CD1-CB 3.68Å; F1897-N1902 HydrophobicContact CD2-CB 3.84Å; F1897-N1902 WeakPolarHBondContact CD2-ND2 3.39Å; F1897-N1902 HydrophobicContact CE1-CB 3.49Å; F1897-N1902 VanDerWaalsContact CE1-CB 3.49Å; F1897-N1902 HydrophobicContact CE2-CB 3.7Å; F1897-N1902 WeakPolarHBondContact CE2-ND2 3.36Å; F1897-N1902 HydrophobicContact CG-CB 3.85Å; F1897-N1902 WeakPolarHBondContact CG-ND2 3.15Å; F1897-N1902 HydrophobicContact CZ-CB 3.53Å; F1897-N1902 WeakPolarHBondContact O-CB 3.01Å; F1897-N1902 PolarHBondContact O-ND2 3.46Å; F1897-N1902 PolarHBondContact O-OD1 2.78Å; F1897-Q2191 HydrophobicContact CD2-CB 3.97Å; F1897-Q2191 HydrophobicContact CD2-CG 3.73Å; F1897-Q2191 HydrophobicContact CE2-CB 3.75Å; F1897-Q2191 HydrophobicContact CE2-CG 4.04Å; F1897-Y2192 WeakPolarHBondContact CE2-O 3.42Å; F1897-Y2192 WeakPolarHBondContact CZ-O 3.36Å
1898	L	93.3	Very high	89.5	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-33.1	-179.5	-69.1	176	0	0	0	112.3	I1854 I1857 W1869 Y1886 L1894 L1895 K1900 G1901 N1902 R1903	I1854-L1898 HydrophobicContact CD1-CB 3.97Å; I1854-L1898 HydrophobicContact CG1-CB 3.89Å; I1854-L1898 HydrophobicContact CG1-CD1 4.22Å; I1857-L1898 HydrophobicContact CD1-CD1 4.14Å; W1869-L1898 HydrophobicContact CH2-CD1 4.2Å; W1869-L1898 HydrophobicContact CH2-CD2 4.08Å; W1869-L1898 HydrophobicContact CZ2-CD1 3.64Å; W1869-L1898 HydrophobicContact CZ2-CD2 3.71Å; W1869-L1898 HydrophobicContact CZ2-CG 4.21Å; Y1886-L1898 WeakPolarHBondContact OH-CD2 3.3Å; L1894-L1898 HydrophobicContact CD1-CD1 3.91Å; L1894-L1898 HydrophobicContact CD1-CD2 4.31Å; L1894-L1898 HydrophobicContact CD1-CG 3.88Å; L1894-L1898 HydrophobicContact CG-CD1 3.95Å; L1894-L1898 HydrophobicContact CG-CG 4.3Å; L1894-L1898 VanDerWaalsContact O-CG 3.29Å; L1894-L1898 WeakPolarHBondContact O-CG 3.46Å; L1894-L1898 PolarHBondContact O-N 3.12Å; L1895-L1898 PolarHBondContact O-N 2.91Å; L1898-K1900 VanDerWaalsContact C-N 3.27Å; L1898-K1900 PolarHBondContact O-N 3.48Å; L1898-G1901 PolarHBondContact O-N 2.99Å; L1898-N1902 WeakPolarHBondContact CD2-O 3.44Å; L1898-R1903 PolarHBondContact O-NH1 3.29Å
1899	E	90.3	Very high	89.5	Confident	98 Å²	98	47.6 Å²	47.6	46%	0.458	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.4	176.5	-71.6	-177.9	148.8	0	0	113.5	I1854 Q1858 L1895 F1897 G1901	I1854-E1899 HydrophobicContact CG2-CG 4.38Å; Q1858-E1899 PolarHBondContact NE2-OE1 2.89Å; L1895-E1899 HydrophobicContact CD1-CG 4.04Å; L1895-E1899 HydrophobicContact CG-CG 4.31Å; L1895-E1899 WeakPolarHBondContact O-CG 3.27Å; L1895-E1899 PolarHBondContact O-N 3.12Å; F1897-E1899 PolarHBondContact O-N 3.15Å; E1899-G1901 VanDerWaalsContact C-N 3.29Å; E1899-G1901 PolarHBondContact O-N 3.15Å
1900	K	90	Very high	89.6	Confident	133 Å²	133	47.7 Å²	47.7	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.8	178.5	-76.6	166.8	-170.9	154.6	0	114.2	D1896 F1897 L1898 N1902	D1896-K1900 WeakPolarHBondContact O-CD 3.49Å; D1896-K1900 WeakPolarHBondContact O-CE 3.37Å; D1896-K1900 WeakPolarHBondContact O-CG 3.27Å; D1896-K1900 PolarHBondContact O-NZ 2.88Å; F1897-K1900 PolarHBondContact O-N 2.95Å; F1897-K1900 VanDerWaalsContact O-N 3.12Å; L1898-K1900 VanDerWaalsContact C-N 3.27Å; L1898-K1900 PolarHBondContact O-N 3.48Å; K1900-N1902 WeakPolarHBondContact CB-OD1 3.4Å
1901	G	87.4	Confident	89.9	Confident	36 Å²	36	44.2 Å²	44.2	37%	0.371	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.7	-22.4	-173.9	0	0	0	0	0	113	L1898 E1899 R1903	L1898-G1901 PolarHBondContact O-N 2.99Å; E1899-G1901 VanDerWaalsContact C-N 3.29Å; E1899-G1901 PolarHBondContact O-N 3.15Å; G1901-R1903 WeakPolarHBondContact O-CG 3.28Å; G1901-R1903 PolarHBondContact O-NH1 2.89Å; G1901-R1903 VanDerWaalsContact O-NH1 3.14Å
1902	N	92.2	Very high	89.8	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.243	C	C	.	.			trans	-48.4	129.9	-175.7	-47.6	14.6	0	0	0	114	F1897 L1898 K1900 I2193 D2194	F1897-N1902 HydrophobicContact CD1-CB 3.68Å; F1897-N1902 HydrophobicContact CD2-CB 3.84Å; F1897-N1902 WeakPolarHBondContact CD2-ND2 3.39Å; F1897-N1902 HydrophobicContact CE1-CB 3.49Å; F1897-N1902 VanDerWaalsContact CE1-CB 3.49Å; F1897-N1902 HydrophobicContact CE2-CB 3.7Å; F1897-N1902 WeakPolarHBondContact CE2-ND2 3.36Å; F1897-N1902 HydrophobicContact CG-CB 3.85Å; F1897-N1902 WeakPolarHBondContact CG-ND2 3.15Å; F1897-N1902 HydrophobicContact CZ-CB 3.53Å; F1897-N1902 WeakPolarHBondContact O-CB 3.01Å; F1897-N1902 PolarHBondContact O-ND2 3.46Å; F1897-N1902 PolarHBondContact O-OD1 2.78Å; L1898-N1902 WeakPolarHBondContact CD2-O 3.44Å; K1900-N1902 WeakPolarHBondContact CB-OD1 3.4Å; N1902-I2193 WeakPolarHBondContact ND2-CG1 3.43Å; N1902-I2193 PolarHBondContact ND2-N 3.4Å; N1902-D2194 HydrophobicContact CB-CB 4.23Å; N1902-D2194 VanDerWaalsContact OD1-CB 3.26Å; N1902-D2194 WeakPolarHBondContact OD1-CB 3.46Å
1903	R	93.6	Very high	89.9	Confident	29 Å²	29	46.3 Å²	46.3	11%	0.109	24%	0.243	C	C	.	.			trans	-133.2	172.5	176.1	-62.7	-57.9	177.4	-97.2	4.6	111.3	L1898 G1901 L1919 W1922	L1898-R1903 PolarHBondContact O-NH1 3.29Å; G1901-R1903 WeakPolarHBondContact O-CG 3.28Å; G1901-R1903 PolarHBondContact O-NH1 2.89Å; G1901-R1903 VanDerWaalsContact O-NH1 3.14Å; R1903-L1919 HydrophobicContact CB-CD2 4Å; R1903-L1919 HydrophobicContact CG-CD2 4Å; R1903-W1922 HydrophobicContact CB-CE3 3.94Å; R1903-W1922 HydrophobicContact CB-CZ3 4.33Å; R1903-W1922 HydrophobicContact CG-CB 4.41Å; R1903-W1922 HydrophobicContact CG-CE3 4.21Å; R1903-W1922 VanDerWaalsContact CZ-O 3.3Å; R1903-W1922 PolarHBondContact NE-O 3.06Å; R1903-W1922 PolarHBondContact NH2-O 3.24Å
1904	L	95.1	Very high	90	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-60.9	138.6	172.9	-71.7	167.4	0	0	0	110.1	I1873 W1876 Y1886 Y1915 W1922	I1873-L1904 HydrophobicContact CD1-CD1 3.57Å; I1873-L1904 HydrophobicContact CD1-CG 4.49Å; W1876-L1904 HydrophobicContact CB-CD1 3.85Å; W1876-L1904 HydrophobicContact CD2-CB 4.28Å; W1876-L1904 HydrophobicContact CD2-CD1 3.7Å; W1876-L1904 HydrophobicContact CD2-CD2 4.18Å; W1876-L1904 HydrophobicContact CD2-CG 4.28Å; W1876-L1904 HydrophobicContact CE3-CD1 4.11Å; W1876-L1904 HydrophobicContact CE3-CD2 4.41Å; W1876-L1904 HydrophobicContact CG-CB 4.11Å; W1876-L1904 HydrophobicContact CG-CD1 3.58Å; W1876-L1904 HydrophobicContact CG-CG 4.33Å; W1876-L1904 HydrophobicContact CH2-CD2 4.31Å; W1876-L1904 HydrophobicContact CZ2-CD2 4.04Å; W1876-L1904 HydrophobicContact CZ3-CD2 4.5Å; Y1886-L1904 HydrophobicContact CD1-CD2 3.27Å; Y1886-L1904 HydrophobicContact CD1-CG 3.92Å; Y1886-L1904 HydrophobicContact CD2-CD2 3.8Å; Y1886-L1904 HydrophobicContact CD2-CG 4.3Å; Y1886-L1904 HydrophobicContact CE1-CB 4.42Å; Y1886-L1904 HydrophobicContact CE1-CD2 3.49Å; Y1886-L1904 VanDerWaalsContact CE1-CD2 3.49Å; Y1886-L1904 HydrophobicContact CE1-CG 3.55Å; Y1886-L1904 HydrophobicContact CE2-CD1 4.26Å; Y1886-L1904 HydrophobicContact CE2-CD2 4Å; Y1886-L1904 HydrophobicContact CE2-CG 3.99Å; Y1886-L1904 HydrophobicContact CG-CD2 3.41Å; Y1886-L1904 VanDerWaalsContact CG-CD2 3.41Å; Y1886-L1904 HydrophobicContact CG-CG 4.25Å; L1904-Y1915 WeakPolarHBondContact O-CE2 3.26Å; L1904-Y1915 PolarHBondContact O-OH 3.03Å; L1904-W1922 HydrophobicContact CB-CH2 3.71Å; L1904-W1922 HydrophobicContact CB-CZ2 4.43Å; L1904-W1922 HydrophobicContact CB-CZ3 3.99Å; L1904-W1922 HydrophobicContact CD1-CH2 3.83Å; L1904-W1922 HydrophobicContact CD1-CZ2 3.71Å; L1904-W1922 HydrophobicContact CG-CH2 4.22Å; L1904-W1922 HydrophobicContact CG-CZ2 4.47Å
1905	P	92.3	Very high	90.2	Very high	81 Å²	81	45.9 Å²	45.9	53%	0.526	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-64.5	152.2	177.3	28.8	-35.5	0	0	0	111	W1876 P1907	W1876-P1905 HydrophobicContact CZ2-CG 4.49Å; W1876-P1905 PolarHBondContact NE1-O 3.11Å; P1905-P1907 WeakPolarHBondContact O-CD 3.16Å
1906	Q	92.2	Very high	90.1	Very high	77 Å²	77	46.7 Å²	46.7	36%	0.36	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-55.1	122.1	174.8	-178.6	169.6	-18	0	0	110.6	E1908 T1910 Y1915	Q1906-E1908 PolarHBondContact O-N 3.3Å; Q1906-T1910 VanDerWaalsContact CG-OG1 3.27Å; Q1906-T1910 WeakPolarHBondContact CG-OG1 3.35Å; Q1906-T1910 PolarHBondContact NE2-O 3.48Å; Q1906-Y1915 HydrophobicContact CB-CD1 3.7Å; Q1906-Y1915 HydrophobicContact CB-CD2 3.96Å; Q1906-Y1915 HydrophobicContact CB-CE1 3.83Å; Q1906-Y1915 HydrophobicContact CB-CE2 4.08Å; Q1906-Y1915 HydrophobicContact CB-CG 3.77Å; Q1906-Y1915 HydrophobicContact CG-CD1 3.91Å; Q1906-Y1915 HydrophobicContact CG-CD2 4.22Å; Q1906-Y1915 HydrophobicContact CG-CG 3.73Å
1907	P	90.8	Very high	90.2	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.032	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-59.9	135.8	171.4	-23.2	33	0	0	0	110.8	W1876 C1879 T1880 P1905 T1909 T1910 M1918	W1876-P1907 VanDerWaalsContact CD1-CG 3.46Å; W1876-P1907 HydrophobicContact CG-CG 4.2Å; C1879-P1907 HydrophobicContact CB-CB 3.91Å; C1879-P1907 HydrophobicContact CB-CG 3.92Å; T1880-P1907 HydrophobicContact CG2-CB 3.82Å; T1880-P1907 HydrophobicContact CG2-CG 3.92Å; P1905-P1907 WeakPolarHBondContact O-CD 3.16Å; P1907-T1909 PolarHBondContact O-N 2.89Å; P1907-T1910 HydrophobicContact CB-CG2 3.78Å; P1907-T1910 WeakPolarHBondContact CD-OG1 3.44Å; P1907-T1910 HydrophobicContact CG-CG2 3.9Å; P1907-T1910 PolarHBondContact O-N 2.9Å; P1907-T1910 PolarHBondContact O-OG1 2.84Å; P1907-M1918 HydrophobicContact CG-CE 4.26Å; P1907-M1918 HydrophobicContact CG-SD 4.49Å
1908	E	85.5	Confident	90.4	Very high	147 Å²	147	42.8 Å²	42.8	69%	0.687	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.2	176.8	-69.3	177.8	-152.5	0	0	113.3	Q1906 T1910 F1951 L1956	Q1906-E1908 PolarHBondContact O-N 3.3Å; E1908-T1910 VanDerWaalsContact C-N 3.35Å; E1908-F1951 WeakPolarHBondContact O-CE2 3.45Å; E1908-L1956 HydrophobicContact CB-CD1 4.03Å; E1908-L1956 HydrophobicContact CB-CD2 3.76Å; E1908-L1956 HydrophobicContact CB-CG 4.35Å
1909	T	87.1	Confident	90.4	Very high	4 Å²	4	45 Å²	45	3%	0.025	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-1.9	175.3	52.3	0	0	0	0	114.9	C1879 F1881 P1907 L1950 F1951 L1956	C1879-T1909 WeakPolarHBondContact O-CG2 3.47Å; C1879-T1909 PolarHBondContact O-OG1 2.59Å; F1881-T1909 HydrophobicContact CE2-CG2 3.75Å; F1881-T1909 HydrophobicContact CZ-CG2 3.92Å; P1907-T1909 PolarHBondContact O-N 2.89Å; T1909-L1950 CarbonylContact O-C 3.35Å; T1909-L1950 VanDerWaalsContact O-CA 3.29Å; T1909-L1950 WeakPolarHBondContact O-CA 3.5Å; T1909-F1951 CarbonylContact C-O 3.28Å; T1909-F1951 WeakPolarHBondContact CA-O 3.47Å; T1909-F1951 PolarHBondContact O-N 3.2Å; T1909-L1956 HydrophobicContact CG2-CD1 3.96Å; T1909-L1956 HydrophobicContact CG2-CD2 4.4Å
1910	T	88.8	Confident	90.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-117.5	143.4	-171.1	63.5	0	0	0	0	112.2	C1879 Q1906 P1907 E1908 F1914 M1918 L1950 F1951	C1879-T1910 HydrophobicContact CB-CG2 3.76Å; Q1906-T1910 VanDerWaalsContact CG-OG1 3.27Å; Q1906-T1910 WeakPolarHBondContact CG-OG1 3.35Å; Q1906-T1910 PolarHBondContact NE2-O 3.48Å; P1907-T1910 HydrophobicContact CB-CG2 3.78Å; P1907-T1910 WeakPolarHBondContact CD-OG1 3.44Å; P1907-T1910 HydrophobicContact CG-CG2 3.9Å; P1907-T1910 PolarHBondContact O-N 2.9Å; P1907-T1910 PolarHBondContact O-OG1 2.84Å; E1908-T1910 VanDerWaalsContact C-N 3.35Å; T1910-F1914 HydrophobicContact CG2-CD1 3.92Å; T1910-F1914 HydrophobicContact CG2-CE1 4.48Å; T1910-M1918 HydrophobicContact CG2-CE 4.03Å; T1910-L1950 HydrophobicContact CG2-CD2 3.5Å; T1910-F1951 WeakPolarHBondContact O-CZ 3.46Å
1911	S	88.5	Confident	90.9	Very high	19 Å²	19	38.4 Å²	38.4	13%	0.133	21%	0.208	C	C	.	.			trans	-81.8	161.2	165.5	92.1	0	0	0	0	111	D1913 F1914 Y1915 R1948 Y1949	S1911-D1913 PolarHBondContact O-N 2.8Å; S1911-D1913 PolarHBondContact OG-N 2.78Å; S1911-F1914 PolarHBondContact O-N 2.89Å; S1911-F1914 VanDerWaalsContact O-N 3.08Å; S1911-Y1915 PolarHBondContact O-N 3.23Å; S1911-R1948 VanDerWaalsContact CB-O 3.24Å; S1911-R1948 WeakPolarHBondContact CB-O 3.32Å; S1911-R1948 PolarHBondContact OG-O 2.87Å; S1911-Y1949 PolarHBondContact N-O 3.07Å; S1911-Y1949 WeakPolarHBondContact OG-CA 3.23Å
1912	L	80.2	Confident	91.4	Very high	105 Å²	105	36.7 Å²	36.7	55%	0.55	19%	0.19	S	C	.	.	H	α-helix	trans	-56.8	-36.3	178.7	-178	59.6	0	0	0	111.9	F1914 Y1915 C1916	L1912-F1914 VanDerWaalsContact C-N 3.32Å; L1912-F1914 PolarHBondContact O-N 2.93Å; L1912-Y1915 HydrophobicContact CD1-CD1 4.19Å; L1912-Y1915 PolarHBondContact O-N 3.47Å; L1912-C1916 WeakPolarHBondContact O-CB 3.25Å; L1912-C1916 PolarHBondContact O-N 3.21Å; L1912-C1916 PolarHBondContact O-SG 3.11Å
1913	D	85.9	Confident	91.5	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-60.4	-40.3	177.7	-69.1	-16	0	0	0	111.8	S1911 R1948 Y1949	S1911-D1913 PolarHBondContact O-N 2.8Å; S1911-D1913 PolarHBondContact OG-N 2.78Å; D1913-R1948 IonicContact OD2-CZ 3.49Å; D1913-R1948 IonicContact OD2-NE 3.64Å; D1913-R1948 PolarHBondContact OD2-NE 2.94Å; D1913-R1948 IonicContact OD2-NH2 2.73Å; D1913-R1948 PolarHBondContact OD2-NH2 3.05Å; D1913-Y1949 HydrophobicContact CB-CD1 3.6Å; D1913-Y1949 HydrophobicContact CB-CE1 3.51Å; D1913-Y1949 WeakPolarHBondContact OD2-CE1 3.04Å
1914	F	91.6	Very high	91.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-79	-36.8	179.1	-166.3	-88.9	0	0	0	112	F1786 T1910 S1911 L1912 C1916 L1917 M1918 L1939 M1942 Y1949 L1950	F1786-F1914 HydrophobicContact CD1-CE2 4.36Å; F1786-F1914 AromaticContact CE1-CD2 3.97Å; F1786-F1914 HydrophobicContact CE1-CD2 3.97Å; F1786-F1914 AromaticContact CE1-CE2 3.54Å; F1786-F1914 HydrophobicContact CE1-CE2 3.54Å; F1786-F1914 HydrophobicContact CE2-CE2 4.45Å; F1786-F1914 AromaticContact CZ-CD2 3.67Å; F1786-F1914 HydrophobicContact CZ-CD2 3.67Å; F1786-F1914 AromaticContact CZ-CE2 3.58Å; F1786-F1914 HydrophobicContact CZ-CE2 3.58Å; T1910-F1914 HydrophobicContact CG2-CD1 3.92Å; T1910-F1914 HydrophobicContact CG2-CE1 4.48Å; S1911-F1914 PolarHBondContact O-N 2.89Å; S1911-F1914 VanDerWaalsContact O-N 3.08Å; L1912-F1914 VanDerWaalsContact C-N 3.32Å; L1912-F1914 PolarHBondContact O-N 2.93Å; F1914-C1916 VanDerWaalsContact C-N 3.33Å; F1914-C1916 PolarHBondContact O-N 3.32Å; F1914-L1917 VanDerWaalsContact O-CB 3.26Å; F1914-L1917 WeakPolarHBondContact O-CB 3.48Å; F1914-L1917 PolarHBondContact O-N 3.33Å; F1914-L1917 VanDerWaalsContact O-N 3.12Å; F1914-M1918 HydrophobicContact CD1-CE 3.87Å; F1914-M1918 HydrophobicContact CE1-CE 3.65Å; F1914-M1918 PolarHBondContact O-N 3.07Å; F1914-L1939 HydrophobicContact CD2-CD2 4.47Å; F1914-L1939 HydrophobicContact CE2-CD2 3.52Å; F1914-L1939 HydrophobicContact CZ-CD2 4.01Å; F1914-M1942 HydrophobicContact CD2-SD 3.74Å; F1914-M1942 HydrophobicContact CE2-SD 4.43Å; F1914-Y1949 WeakPolarHBondContact CB-O 3.48Å; F1914-L1950 HydrophobicContact CD1-CD2 3.63Å; F1914-L1950 HydrophobicContact CD1-CG 4.45Å; F1914-L1950 HydrophobicContact CD2-CD2 4.31Å; F1914-L1950 HydrophobicContact CD2-CG 4.28Å; F1914-L1950 HydrophobicContact CE1-CD2 3.78Å; F1914-L1950 HydrophobicContact CE1-CG 4.47Å; F1914-L1950 HydrophobicContact CE2-CD1 4.29Å; F1914-L1950 HydrophobicContact CE2-CD2 4.43Å; F1914-L1950 HydrophobicContact CE2-CG 4.3Å; F1914-L1950 HydrophobicContact CG-CD2 3.91Å; F1914-L1950 HydrophobicContact CG-CG 4.35Å; F1914-L1950 HydrophobicContact CZ-CD1 4.18Å; F1914-L1950 HydrophobicContact CZ-CD2 4.19Å; F1914-L1950 HydrophobicContact CZ-CG 4.4Å
1915	Y	94.8	Very high	91.2	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-34.7	173.5	176.7	-122.5	0	0	0	112.3	L1904 Q1906 S1911 L1912 L1917 M1918 L1919 W1922	L1904-Y1915 WeakPolarHBondContact O-CE2 3.26Å; L1904-Y1915 PolarHBondContact O-OH 3.03Å; Q1906-Y1915 HydrophobicContact CB-CD1 3.7Å; Q1906-Y1915 HydrophobicContact CB-CD2 3.96Å; Q1906-Y1915 HydrophobicContact CB-CE1 3.83Å; Q1906-Y1915 HydrophobicContact CB-CE2 4.08Å; Q1906-Y1915 HydrophobicContact CB-CG 3.77Å; Q1906-Y1915 HydrophobicContact CG-CD1 3.91Å; Q1906-Y1915 HydrophobicContact CG-CD2 4.22Å; Q1906-Y1915 HydrophobicContact CG-CG 3.73Å; S1911-Y1915 PolarHBondContact O-N 3.23Å; L1912-Y1915 HydrophobicContact CD1-CD1 4.19Å; L1912-Y1915 PolarHBondContact O-N 3.47Å; Y1915-L1917 PolarHBondContact O-N 2.72Å; Y1915-M1918 HydrophobicContact CD2-CB 4.46Å; Y1915-M1918 HydrophobicContact CD2-SD 4.34Å; Y1915-M1918 WeakPolarHBondContact O-CA 3.49Å; Y1915-M1918 WeakPolarHBondContact O-CB 3.42Å; Y1915-M1918 PolarHBondContact O-N 2.84Å; Y1915-L1919 HydrophobicContact CD1-CD1 4Å; Y1915-L1919 HydrophobicContact CD1-CG 4.44Å; Y1915-L1919 HydrophobicContact CE1-CD1 3.67Å; Y1915-L1919 HydrophobicContact CE1-CD2 4.38Å; Y1915-L1919 HydrophobicContact CE1-CG 4.09Å; Y1915-L1919 HydrophobicContact CE2-CD2 4.3Å; Y1915-L1919 HydrophobicContact CE2-CG 4.24Å; Y1915-L1919 PolarHBondContact O-N 3.16Å; Y1915-W1922 HydrophobicContact CE2-CZ3 4.18Å
1916	C	88.9	Confident	91.2	Very high	48 Å²	48	42.3 Å²	42.3	32%	0.324	23%	0.225	S	C	.	.	H	α-helix	trans	-58.2	-33.6	169.7	-79	0	0	0	0	112.7	L1912 F1914 L1919 Q1920	L1912-C1916 WeakPolarHBondContact O-CB 3.25Å; L1912-C1916 PolarHBondContact O-N 3.21Å; L1912-C1916 PolarHBondContact O-SG 3.11Å; F1914-C1916 VanDerWaalsContact C-N 3.33Å; F1914-C1916 PolarHBondContact O-N 3.32Å; C1916-L1919 PolarHBondContact O-N 2.84Å; C1916-Q1920 VanDerWaalsContact O-CG 3.3Å; C1916-Q1920 WeakPolarHBondContact O-CG 3.29Å; C1916-Q1920 PolarHBondContact O-N 3.26Å
1917	L	92.9	Very high	91.1	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-36.5	173.3	-163	71.9	0	0	0	111.8	F1914 Y1915 Q1920 C1921 L1935 A1938 L1939 M1942	F1914-L1917 VanDerWaalsContact O-CB 3.26Å; F1914-L1917 WeakPolarHBondContact O-CB 3.48Å; F1914-L1917 PolarHBondContact O-N 3.33Å; F1914-L1917 VanDerWaalsContact O-N 3.12Å; Y1915-L1917 PolarHBondContact O-N 2.72Å; L1917-Q1920 PolarHBondContact O-N 2.84Å; L1917-C1921 PolarHBondContact O-N 2.87Å; L1917-C1921 VanDerWaalsContact O-N 3.16Å; L1917-C1921 PolarHBondContact O-SG 3.2Å; L1917-L1935 HydrophobicContact CD1-CD2 3.85Å; L1917-L1935 HydrophobicContact CD2-CD2 4.33Å; L1917-L1935 HydrophobicContact CG-CD2 3.86Å; L1917-A1938 HydrophobicContact CD1-CB 3.84Å; L1917-L1939 HydrophobicContact CD2-CD2 3.73Å; L1917-L1939 HydrophobicContact CD2-CG 3.84Å; L1917-M1942 HydrophobicContact CB-CE 4.49Å; L1917-M1942 HydrophobicContact CD2-CE 4.49Å; L1917-M1942 HydrophobicContact CD2-SD 4.32Å
1918	M	96.2	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-44.1	171.4	-55.4	-173.4	-176.2	0	0	111.6	L1875 W1876 C1879 P1907 T1910 F1914 Y1915 Q1920 C1921 W1922	L1875-M1918 HydrophobicContact CB-CE 4.06Å; W1876-M1918 HydrophobicContact CB-SD 4.04Å; C1879-M1918 HydrophobicContact CB-CE 4.16Å; P1907-M1918 HydrophobicContact CG-CE 4.26Å; P1907-M1918 HydrophobicContact CG-SD 4.49Å; T1910-M1918 HydrophobicContact CG2-CE 4.03Å; F1914-M1918 HydrophobicContact CD1-CE 3.87Å; F1914-M1918 HydrophobicContact CE1-CE 3.65Å; F1914-M1918 PolarHBondContact O-N 3.07Å; Y1915-M1918 HydrophobicContact CD2-CB 4.46Å; Y1915-M1918 HydrophobicContact CD2-SD 4.34Å; Y1915-M1918 WeakPolarHBondContact O-CA 3.49Å; Y1915-M1918 WeakPolarHBondContact O-CB 3.42Å; Y1915-M1918 PolarHBondContact O-N 2.84Å; M1918-Q1920 VanDerWaalsContact C-N 3.27Å; M1918-Q1920 PolarHBondContact O-N 2.98Å; M1918-C1921 WeakPolarHBondContact O-CA 3.28Å; M1918-C1921 VanDerWaalsContact O-CB 3.27Å; M1918-C1921 WeakPolarHBondContact O-CB 3.3Å; M1918-C1921 PolarHBondContact O-N 2.76Å; M1918-W1922 HydrophobicContact CB-CE3 4.25Å; M1918-W1922 HydrophobicContact CB-CH2 3.63Å; M1918-W1922 HydrophobicContact CB-CZ2 4.06Å; M1918-W1922 HydrophobicContact CB-CZ3 3.75Å; M1918-W1922 HydrophobicContact CG-CH2 4.37Å; M1918-W1922 VanDerWaalsContact O-CD2 3.28Å; M1918-W1922 PolarHBondContact O-N 3.19Å; M1918-W1922 VanDerWaalsContact O-N 3.11Å; M1918-W1922 HydrophobicContact SD-CH2 3.98Å
1919	L	93.6	Very high	91.8	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-32.9	176	-69.1	173.9	0	0	0	112.7	R1903 Y1915 C1916 W1922 Q1923	R1903-L1919 HydrophobicContact CB-CD2 4Å; R1903-L1919 HydrophobicContact CG-CD2 4Å; Y1915-L1919 HydrophobicContact CD1-CD1 4Å; Y1915-L1919 HydrophobicContact CD1-CG 4.44Å; Y1915-L1919 HydrophobicContact CE1-CD1 3.67Å; Y1915-L1919 HydrophobicContact CE1-CD2 4.38Å; Y1915-L1919 HydrophobicContact CE1-CG 4.09Å; Y1915-L1919 HydrophobicContact CE2-CD2 4.3Å; Y1915-L1919 HydrophobicContact CE2-CG 4.24Å; Y1915-L1919 PolarHBondContact O-N 3.16Å; C1916-L1919 PolarHBondContact O-N 2.84Å; L1919-W1922 HydrophobicContact CD2-CE3 4.21Å; L1919-W1922 HydrophobicContact CD2-CZ3 4.5Å; L1919-W1922 CarbonylContact O-C 3.54Å; L1919-W1922 PolarHBondContact O-N 3.18Å; L1919-Q1923 PolarHBondContact O-N 3.46Å; L1919-Q1923 PolarHBondContact O-NE2 3.1Å
1920	Q	94.9	Very high	92.2	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-65.8	-39	170.2	-75.7	173.6	8.9	0	0	111.9	C1916 L1917 M1918 W1922 Q1923 R1929 P1930	C1916-Q1920 VanDerWaalsContact O-CG 3.3Å; C1916-Q1920 WeakPolarHBondContact O-CG 3.29Å; C1916-Q1920 PolarHBondContact O-N 3.26Å; L1917-Q1920 PolarHBondContact O-N 2.84Å; M1918-Q1920 VanDerWaalsContact C-N 3.27Å; M1918-Q1920 PolarHBondContact O-N 2.98Å; Q1920-W1922 PolarHBondContact O-N 3.37Å; Q1920-Q1923 WeakPolarHBondContact O-CG 3.28Å; Q1920-Q1923 PolarHBondContact O-N 2.8Å; Q1920-R1929 WeakPolarHBondContact O-CA 3.3Å; Q1920-P1930 HydrophobicContact CB-CG 4.25Å; Q1920-P1930 WeakPolarHBondContact O-CD 3.43Å
1921	C	96.9	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.3	-29.4	172.5	-62.3	0	0	0	0	112.6	V1868 W1869 L1917 M1918 R1929 L1935	V1868-C1921 HydrophobicContact CG1-CB 4.17Å; V1868-C1921 WeakPolarHBondContact O-CB 3.47Å; W1869-C1921 WeakPolarHBondContact CA-O 3.23Å; L1917-C1921 PolarHBondContact O-N 2.87Å; L1917-C1921 VanDerWaalsContact O-N 3.16Å; L1917-C1921 PolarHBondContact O-SG 3.2Å; M1918-C1921 WeakPolarHBondContact O-CA 3.28Å; M1918-C1921 VanDerWaalsContact O-CB 3.27Å; M1918-C1921 WeakPolarHBondContact O-CB 3.3Å; M1918-C1921 PolarHBondContact O-N 2.76Å; C1921-R1929 WeakPolarHBondContact O-CD 3.16Å; C1921-L1935 VanDerWaalsContact SG-CD2 3.6Å
1922	W	96.8	Very high	92.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	26	-177.7	-48.7	-44.6	0	0	0	115.1	W1869 G1872 I1873 W1876 R1903 L1904 Y1915 M1918 L1919 Q1920	W1869-W1922 HydrophobicContact CD2-CB 4.34Å; W1869-W1922 AromaticContact CD2-CD1 3.77Å; W1869-W1922 HydrophobicContact CD2-CG 4.42Å; W1869-W1922 AromaticContact CE2-CD1 3.87Å; W1869-W1922 HydrophobicContact CE3-CB 4.05Å; W1869-W1922 AromaticContact CG-CD1 3.89Å; W1869-W1922 HydrophobicContact CH2-CB 4.11Å; W1869-W1922 HydrophobicContact CZ2-CB 4.38Å; W1869-W1922 HydrophobicContact CZ3-CB 3.94Å; W1869-W1922 VanDerWaalsContact CZ3-O 3.28Å; W1869-W1922 WeakPolarHBondContact CZ3-O 3.23Å; W1869-W1922 PolarHBondContact O-NE1 2.89Å; G1872-W1922 VanDerWaalsContact C-CZ2 3.45Å; G1872-W1922 VanDerWaalsContact O-CZ2 3.3Å; G1872-W1922 WeakPolarHBondContact O-CZ2 3.4Å; I1873-W1922 HydrophobicContact CD1-CZ2 4.01Å; W1876-W1922 HydrophobicContact CB-CH2 4.19Å; W1876-W1922 HydrophobicContact CB-CZ2 4.19Å; W1876-W1922 HydrophobicContact CG-CH2 4.42Å; R1903-W1922 HydrophobicContact CB-CE3 3.94Å; R1903-W1922 HydrophobicContact CB-CZ3 4.33Å; R1903-W1922 HydrophobicContact CG-CB 4.41Å; R1903-W1922 HydrophobicContact CG-CE3 4.21Å; R1903-W1922 VanDerWaalsContact CZ-O 3.3Å; R1903-W1922 PolarHBondContact NE-O 3.06Å; R1903-W1922 PolarHBondContact NH2-O 3.24Å; L1904-W1922 HydrophobicContact CB-CH2 3.71Å; L1904-W1922 HydrophobicContact CB-CZ2 4.43Å; L1904-W1922 HydrophobicContact CB-CZ3 3.99Å; L1904-W1922 HydrophobicContact CD1-CH2 3.83Å; L1904-W1922 HydrophobicContact CD1-CZ2 3.71Å; L1904-W1922 HydrophobicContact CG-CH2 4.22Å; L1904-W1922 HydrophobicContact CG-CZ2 4.47Å; Y1915-W1922 HydrophobicContact CE2-CZ3 4.18Å; M1918-W1922 HydrophobicContact CB-CE3 4.25Å; M1918-W1922 HydrophobicContact CB-CH2 3.63Å; M1918-W1922 HydrophobicContact CB-CZ2 4.06Å; M1918-W1922 HydrophobicContact CB-CZ3 3.75Å; M1918-W1922 HydrophobicContact CG-CH2 4.37Å; M1918-W1922 VanDerWaalsContact O-CD2 3.28Å; M1918-W1922 PolarHBondContact O-N 3.19Å; M1918-W1922 VanDerWaalsContact O-N 3.11Å; M1918-W1922 HydrophobicContact SD-CH2 3.98Å; L1919-W1922 HydrophobicContact CD2-CE3 4.21Å; L1919-W1922 HydrophobicContact CD2-CZ3 4.5Å; L1919-W1922 CarbonylContact O-C 3.54Å; L1919-W1922 PolarHBondContact O-N 3.18Å; Q1920-W1922 PolarHBondContact O-N 3.37Å
1923	Q	94.8	Very high	93.4	Very high	75 Å²	75	47.7 Å²	47.7	35%	0.35	26%	0.255	S	S	.	.			trans	-58.6	140.2	168.1	-66.5	-57.6	-66.3	0	0	110.6	L1919 Q1920 L1928 R1929	L1919-Q1923 PolarHBondContact O-N 3.46Å; L1919-Q1923 PolarHBondContact O-NE2 3.1Å; Q1920-Q1923 WeakPolarHBondContact O-CG 3.28Å; Q1920-Q1923 PolarHBondContact O-N 2.8Å; Q1923-L1928 HydrophobicContact CB-CB 3.98Å; Q1923-L1928 HydrophobicContact CG-CB 4.16Å; Q1923-R1929 HydrophobicContact CB-CG 3.86Å; Q1923-R1929 PolarHBondContact O-NE 2.93Å; Q1923-R1929 PolarHBondContact O-NH2 2.7Å
1924	A	90.6	Very high	93.7	Very high	55 Å²	55	49.6 Å²	49.6	46%	0.455	26%	0.262	S	S	.	.	S	Bend	trans	-63.2	-54.3	-177.8	0	0	0	0	0	110.7	I1854 P1926 R1929	I1854-A1924 HydrophobicContact CD1-CB 4.13Å; A1924-P1926 WeakPolarHBondContact O-CD 3.31Å; A1924-R1929 PolarHBondContact O-NH2 3.32Å
1925	D	91.1	Very high	93.9	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	26%	0.262	S	S	.	.	S	Bend	trans	-63.4	120.1	170.5	-179.7	-0.5	0	0	0	110.8	N1927 L1928	D1925-N1927 PolarHBondContact O-N 2.84Å; D1925-N1927 VanDerWaalsContact O-N 3.16Å; D1925-N1927 WeakPolarHBondContact OD1-CB 3.23Å; D1925-N1927 PolarHBondContact OD1-N 3.05Å; D1925-N1927 PolarHBondContact OD1-ND2 2.87Å; D1925-L1928 HydrophobicContact CB-CB 4.37Å; D1925-L1928 HydrophobicContact CB-CD1 4.04Å; D1925-L1928 HydrophobicContact CB-CG 4Å; D1925-L1928 PolarHBondContact O-N 3.31Å
1926	P	92.9	Very high	93.8	Very high	34 Å²	34	48.1 Å²	48.1	22%	0.221	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.8	175.6	-23.1	33.7	0	0	0	114.1	E1855 K1865 A1924	E1855-P1926 HydrophobicContact CG-CG 4.08Å; K1865-P1926 HydrophobicContact CB-CB 3.78Å; K1865-P1926 WeakPolarHBondContact CB-O 3.4Å; K1865-P1926 WeakPolarHBondContact CD-O 3.43Å; K1865-P1926 WeakPolarHBondContact CE-O 3.48Å; K1865-P1926 HydrophobicContact CG-CB 4.42Å; K1865-P1926 WeakPolarHBondContact CG-O 3.44Å; A1924-P1926 WeakPolarHBondContact O-CD 3.31Å
1927	N	90.6	Very high	93.8	Very high	126 Å²	126	48 Å²	48	67%	0.674	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-34.1	-179.4	-59.5	-76.8	0	0	0	112.3	D1925	D1925-N1927 PolarHBondContact O-N 2.84Å; D1925-N1927 VanDerWaalsContact O-N 3.16Å; D1925-N1927 WeakPolarHBondContact OD1-CB 3.23Å; D1925-N1927 PolarHBondContact OD1-N 3.05Å; D1925-N1927 PolarHBondContact OD1-ND2 2.87Å
1928	L	93.6	Very high	93.7	Very high	118 Å²	118	48.7 Å²	48.7	62%	0.618	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.6	180	-63.4	-178.7	0	0	0	113.7	Q1923 D1925	Q1923-L1928 HydrophobicContact CB-CB 3.98Å; Q1923-L1928 HydrophobicContact CG-CB 4.16Å; D1925-L1928 HydrophobicContact CB-CB 4.37Å; D1925-L1928 HydrophobicContact CB-CD1 4.04Å; D1925-L1928 HydrophobicContact CB-CG 4Å; D1925-L1928 PolarHBondContact O-N 3.31Å
1929	R	96.7	Very high	93.4	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	26%	0.262	C	S	.	.	S	Bend	trans	-62.4	144.7	169.8	-58.1	174.2	-161.1	152.7	11.5	109	E1855 K1865 V1868 Q1920 C1921 Q1923 A1924	E1855-R1929 IonicContact OE1-CZ 2.71Å; E1855-R1929 IonicContact OE1-NH1 4Å; E1855-R1929 PolarHBondContact OE1-NH1 3.45Å; E1855-R1929 IonicContact OE1-NH2 2.69Å; E1855-R1929 IonicContact OE2-CZ 3.34Å; E1855-R1929 IonicContact OE2-NH1 2.86Å; E1855-R1929 PolarHBondContact OE2-NH1 3.38Å; E1855-R1929 IonicContact OE2-NH2 3.14Å; E1855-R1929 PolarHBondContact OE2-NH2 3.03Å; K1865-R1929 HydrophobicContact CD-CB 4.43Å; K1865-R1929 PolarHBondContact NZ-O 3.38Å; K1865-R1929 VanDerWaalsContact O-CD 3.29Å; K1865-R1929 WeakPolarHBondContact O-CD 3.41Å; K1865-R1929 PolarHBondContact O-NH1 2.81Å; V1868-R1929 HydrophobicContact CG1-CB 3.99Å; Q1920-R1929 WeakPolarHBondContact O-CA 3.3Å; C1921-R1929 WeakPolarHBondContact O-CD 3.16Å; Q1923-R1929 HydrophobicContact CB-CG 3.86Å; Q1923-R1929 PolarHBondContact O-NE 2.93Å; Q1923-R1929 PolarHBondContact O-NH2 2.7Å; A1924-R1929 PolarHBondContact O-NH2 3.32Å
1930	P	95.7	Very high	93	Very high	16 Å²	16	47.5 Å²	47.5	10%	0.104	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.6	167.6	173.9	27.7	-33.6	0	0	0	111.1	K1865 V1868 Q1920 E1934 L1935	K1865-P1930 PolarHBondContact NZ-O 3.14Å; V1868-P1930 HydrophobicContact CG1-CG 4.46Å; Q1920-P1930 HydrophobicContact CB-CG 4.25Å; Q1920-P1930 WeakPolarHBondContact O-CD 3.43Å; P1930-E1934 HydrophobicContact CB-CB 4.19Å; P1930-L1935 HydrophobicContact CB-CD2 4.32Å; P1930-L1935 HydrophobicContact CB-CG 4.05Å; P1930-L1935 HydrophobicContact CG-CD1 4.05Å; P1930-L1935 HydrophobicContact CG-CD2 3.59Å; P1930-L1935 HydrophobicContact CG-CG 3.67Å
1931	T	94.2	Very high	92.6	Very high	56 Å²	56	50 Å²	50	34%	0.344	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-84.4	159.7	163.1	65.4	0	0	0	0	110.3	K1933 E1934 L1935	T1931-K1933 PolarHBondContact O-N 3.29Å; T1931-K1933 VanDerWaalsContact O-N 3.1Å; T1931-K1933 PolarHBondContact OG1-N 2.74Å; T1931-E1934 WeakPolarHBondContact CA-OE2 3.37Å; T1931-E1934 VanDerWaalsContact CB-OE2 3.22Å; T1931-E1934 WeakPolarHBondContact CB-OE2 3.4Å; T1931-E1934 WeakPolarHBondContact CG2-OE2 3.31Å; T1931-E1934 PolarHBondContact N-OE2 3.43Å; T1931-E1934 PolarHBondContact O-N 2.65Å; T1931-E1934 VanDerWaalsContact O-N 3.12Å; T1931-E1934 PolarHBondContact OG1-N 2.76Å; T1931-E1934 PolarHBondContact OG1-OE2 2.89Å; T1931-L1935 PolarHBondContact O-N 2.77Å
1932	F	96	Very high	92.2	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-25.8	171.2	-74.8	-68.1	0	0	0	113.8	M1796 I1797 D1867 V1868 Y1871 L1935 C1936	M1796-F1932 HydrophobicContact CB-CB 4.39Å; M1796-F1932 HydrophobicContact CB-CD1 3.42Å; M1796-F1932 VanDerWaalsContact CB-CD1 3.42Å; M1796-F1932 HydrophobicContact CB-CD2 3.73Å; M1796-F1932 HydrophobicContact CB-CE1 3.37Å; M1796-F1932 HydrophobicContact CB-CE2 3.7Å; M1796-F1932 HydrophobicContact CB-CG 3.58Å; M1796-F1932 HydrophobicContact CB-CZ 3.52Å; M1796-F1932 HydrophobicContact CE-CE2 3.75Å; M1796-F1932 HydrophobicContact CE-CZ 3.75Å; M1796-F1932 HydrophobicContact CG-CD1 4.25Å; M1796-F1932 HydrophobicContact CG-CE1 3.74Å; M1796-F1932 HydrophobicContact CG-CE2 4.35Å; M1796-F1932 HydrophobicContact CG-CZ 3.79Å; I1797-F1932 HydrophobicContact CB-CB 4.48Å; I1797-F1932 VanDerWaalsContact CG1-C 3.49Å; I1797-F1932 HydrophobicContact CG1-CB 3.67Å; I1797-F1932 WeakPolarHBondContact CG1-O 2.97Å; D1867-F1932 HydrophobicContact CB-CE2 3.94Å; D1867-F1932 HydrophobicContact CB-CZ 3.92Å; V1868-F1932 HydrophobicContact CB-CZ 4.34Å; V1868-F1932 HydrophobicContact CG2-CD1 4.18Å; V1868-F1932 HydrophobicContact CG2-CD2 3.73Å; V1868-F1932 HydrophobicContact CG2-CE1 4.02Å; V1868-F1932 HydrophobicContact CG2-CE2 3.54Å; V1868-F1932 HydrophobicContact CG2-CG 4.05Å; V1868-F1932 HydrophobicContact CG2-CZ 3.7Å; Y1871-F1932 HydrophobicContact CD1-CE1 4.21Å; Y1871-F1932 HydrophobicContact CD2-CE1 4.06Å; Y1871-F1932 HydrophobicContact CG-CD1 4.45Å; Y1871-F1932 AromaticContact CG-CE1 3.69Å; Y1871-F1932 HydrophobicContact CG-CE1 3.69Å; F1932-L1935 HydrophobicContact CD1-CD1 4.25Å; F1932-C1936 WeakPolarHBondContact O-CB 3.28Å; F1932-C1936 PolarHBondContact O-N 2.91Å
1933	K	92.3	Very high	91.5	Very high	147 Å²	147	54.4 Å²	54.4	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-69.2	-49.5	175.5	-171.7	-174.1	175.5	-169.1	0	111.3	I1797 T1931 L1935 C1936 S1937	I1797-K1933 HydrophobicContact CD1-CB 4.38Å; I1797-K1933 HydrophobicContact CG1-CB 4.5Å; T1931-K1933 PolarHBondContact O-N 3.29Å; T1931-K1933 VanDerWaalsContact O-N 3.1Å; T1931-K1933 PolarHBondContact OG1-N 2.74Å; K1933-L1935 VanDerWaalsContact C-N 3.32Å; K1933-L1935 PolarHBondContact O-N 3.15Å; K1933-C1936 PolarHBondContact O-N 2.8Å; K1933-S1937 PolarHBondContact O-N 2.94Å; K1933-S1937 PolarHBondContact O-OG 2.95Å
1934	E	94	Very high	90.7	Very high	109 Å²	109	54.7 Å²	54.7	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-38.7	178.1	-69.5	149.3	141.9	0	0	111.3	P1930 T1931 S1937 A1938	P1930-E1934 HydrophobicContact CB-CB 4.19Å; T1931-E1934 WeakPolarHBondContact CA-OE2 3.37Å; T1931-E1934 VanDerWaalsContact CB-OE2 3.22Å; T1931-E1934 WeakPolarHBondContact CB-OE2 3.4Å; T1931-E1934 WeakPolarHBondContact CG2-OE2 3.31Å; T1931-E1934 PolarHBondContact N-OE2 3.43Å; T1931-E1934 PolarHBondContact O-N 2.65Å; T1931-E1934 VanDerWaalsContact O-N 3.12Å; T1931-E1934 PolarHBondContact OG1-N 2.76Å; T1931-E1934 PolarHBondContact OG1-OE2 2.89Å; E1934-S1937 PolarHBondContact O-N 3.49Å; E1934-A1938 WeakPolarHBondContact O-CB 3.41Å; E1934-A1938 PolarHBondContact O-N 2.9Å
1935	L	95	Very high	90.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61	-45.7	172.7	-72.2	168.3	0	0	0	112.7	V1868 Y1871 L1917 C1921 P1930 T1931 F1932 K1933 S1937 A1938 L1939	V1868-L1935 HydrophobicContact CG1-CD1 4Å; V1868-L1935 HydrophobicContact CG2-CD1 4.27Å; Y1871-L1935 HydrophobicContact CD1-CD1 3.78Å; Y1871-L1935 HydrophobicContact CE1-CB 4.41Å; Y1871-L1935 HydrophobicContact CE1-CD1 3.91Å; L1917-L1935 HydrophobicContact CD1-CD2 3.85Å; L1917-L1935 HydrophobicContact CD2-CD2 4.33Å; L1917-L1935 HydrophobicContact CG-CD2 3.86Å; C1921-L1935 VanDerWaalsContact SG-CD2 3.6Å; P1930-L1935 HydrophobicContact CB-CD2 4.32Å; P1930-L1935 HydrophobicContact CB-CG 4.05Å; P1930-L1935 HydrophobicContact CG-CD1 4.05Å; P1930-L1935 HydrophobicContact CG-CD2 3.59Å; P1930-L1935 HydrophobicContact CG-CG 3.67Å; T1931-L1935 PolarHBondContact O-N 2.77Å; F1932-L1935 HydrophobicContact CD1-CD1 4.25Å; K1933-L1935 VanDerWaalsContact C-N 3.32Å; K1933-L1935 PolarHBondContact O-N 3.15Å; L1935-S1937 PolarHBondContact O-N 3.3Å; L1935-A1938 PolarHBondContact O-N 2.98Å; L1935-L1939 WeakPolarHBondContact O-CB 3.37Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.07Å; L1935-L1939 VanDerWaalsContact O-CG 3.28Å; L1935-L1939 WeakPolarHBondContact O-CG 3.14Å; L1935-L1939 PolarHBondContact O-N 3.38Å
1936	C	92.2	Very high	89.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-65.8	-37.9	179.3	-161.2	0	0	0	0	112.1	A1793 I1797 F1932 K1933 C1940	A1793-C1936 HydrophobicContact CB-CB 3.95Å; I1797-C1936 HydrophobicContact CD1-CB 3.7Å; F1932-C1936 WeakPolarHBondContact O-CB 3.28Å; F1932-C1936 PolarHBondContact O-N 2.91Å; K1933-C1936 PolarHBondContact O-N 2.8Å; C1936-C1940 WeakPolarHBondContact O-CB 3.41Å; C1936-C1940 PolarHBondContact O-N 3.09Å
1937	S	88.7	Confident	89.2	Confident	45 Å²	45	57.4 Å²	57.4	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-63.3	-50.6	172.6	-64.5	0	0	0	0	111.8	K1933 E1934 L1935 L1939 C1940 E1941	K1933-S1937 PolarHBondContact O-N 2.94Å; K1933-S1937 PolarHBondContact O-OG 2.95Å; E1934-S1937 PolarHBondContact O-N 3.49Å; L1935-S1937 PolarHBondContact O-N 3.3Å; S1937-L1939 VanDerWaalsContact C-N 3.28Å; S1937-L1939 PolarHBondContact O-N 3.46Å; S1937-C1940 PolarHBondContact O-N 3.12Å; S1937-C1940 VanDerWaalsContact O-N 3.14Å; S1937-E1941 WeakPolarHBondContact O-CG 3.31Å; S1937-E1941 PolarHBondContact O-N 3.02Å
1938	A	91.1	Very high	88.8	Confident	23 Å²	23	58.4 Å²	58.4	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-38.8	178.5	0	0	0	0	0	112.5	L1917 E1934 L1935 E1941 M1942	L1917-A1938 HydrophobicContact CD1-CB 3.84Å; E1934-A1938 WeakPolarHBondContact O-CB 3.41Å; E1934-A1938 PolarHBondContact O-N 2.9Å; L1935-A1938 PolarHBondContact O-N 2.98Å; A1938-E1941 PolarHBondContact O-N 2.84Å; A1938-M1942 WeakPolarHBondContact O-CB 3.42Å; A1938-M1942 VanDerWaalsContact O-CG 3.26Å; A1938-M1942 WeakPolarHBondContact O-CG 3.42Å; A1938-M1942 PolarHBondContact O-N 3.4Å
1939	L	90.8	Very high	88.5	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-37.4	176.5	-73.1	165.4	0	0	0	112.9	F1786 Y1871 F1914 L1917 L1935 S1937 M1942 K1943	F1786-L1939 HydrophobicContact CD1-CD2 4.24Å; F1786-L1939 HydrophobicContact CE1-CD2 4.02Å; Y1871-L1939 WeakPolarHBondContact OH-CD1 3.09Å; F1914-L1939 HydrophobicContact CD2-CD2 4.47Å; F1914-L1939 HydrophobicContact CE2-CD2 3.52Å; F1914-L1939 HydrophobicContact CZ-CD2 4.01Å; L1917-L1939 HydrophobicContact CD2-CD2 3.73Å; L1917-L1939 HydrophobicContact CD2-CG 3.84Å; L1935-L1939 WeakPolarHBondContact O-CB 3.37Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.07Å; L1935-L1939 VanDerWaalsContact O-CG 3.28Å; L1935-L1939 WeakPolarHBondContact O-CG 3.14Å; L1935-L1939 PolarHBondContact O-N 3.38Å; S1937-L1939 VanDerWaalsContact C-N 3.28Å; S1937-L1939 PolarHBondContact O-N 3.46Å; L1939-M1942 PolarHBondContact O-N 3.43Å; L1939-K1943 WeakPolarHBondContact O-CB 3.43Å; L1939-K1943 PolarHBondContact O-N 3.02Å
1940	C	85.4	Confident	88.1	Confident	24 Å²	24	54.2 Å²	54.2	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-41.1	173.5	-173.4	0	0	0	0	111.7	C1936 S1937 K1943 T2159	C1936-C1940 WeakPolarHBondContact O-CB 3.41Å; C1936-C1940 PolarHBondContact O-N 3.09Å; S1937-C1940 PolarHBondContact O-N 3.12Å; S1937-C1940 VanDerWaalsContact O-N 3.14Å; C1940-K1943 PolarHBondContact O-N 2.96Å; C1940-T2159 PolarHBondContact SG-O 3.49Å
1941	E	85.9	Confident	87.4	Confident	147 Å²	147	57.1 Å²	57.1	69%	0.687	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-47.8	173.9	-71.3	174.3	-158	0	0	111.6	S1937 A1938 K1943 A1944	S1937-E1941 WeakPolarHBondContact O-CG 3.31Å; S1937-E1941 PolarHBondContact O-N 3.02Å; A1938-E1941 PolarHBondContact O-N 2.84Å; E1941-K1943 PolarHBondContact O-N 3.45Å; E1941-A1944 WeakPolarHBondContact O-CB 3.45Å; E1941-A1944 PolarHBondContact O-N 3.02Å
1942	M	88.3	Confident	86.7	Confident	23 Å²	23	55.8 Å²	55.8	11%	0.113	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-36.9	177.8	-71.8	178.5	-178	0	0	112.9	F1786 F1914 L1917 A1938 L1939 A1944 T1945 Y1949	F1786-M1942 HydrophobicContact CD1-CB 4.48Å; F1786-M1942 HydrophobicContact CE1-CB 3.44Å; F1786-M1942 VanDerWaalsContact CE1-CB 3.44Å; F1786-M1942 HydrophobicContact CZ-CB 3.76Å; F1914-M1942 HydrophobicContact CD2-SD 3.74Å; F1914-M1942 HydrophobicContact CE2-SD 4.43Å; L1917-M1942 HydrophobicContact CB-CE 4.49Å; L1917-M1942 HydrophobicContact CD2-CE 4.49Å; L1917-M1942 HydrophobicContact CD2-SD 4.32Å; A1938-M1942 WeakPolarHBondContact O-CB 3.42Å; A1938-M1942 VanDerWaalsContact O-CG 3.26Å; A1938-M1942 WeakPolarHBondContact O-CG 3.42Å; A1938-M1942 PolarHBondContact O-N 3.4Å; L1939-M1942 PolarHBondContact O-N 3.43Å; M1942-A1944 PolarHBondContact O-N 3.49Å; M1942-A1944 VanDerWaalsContact O-N 3.09Å; M1942-T1945 CarbonylContact O-C 3.59Å; M1942-T1945 PolarHBondContact O-N 3.29Å; M1942-Y1949 HydrophobicContact CB-CD1 4.34Å; M1942-Y1949 HydrophobicContact CB-CD2 3.69Å; M1942-Y1949 HydrophobicContact CB-CE2 3.95Å; M1942-Y1949 HydrophobicContact CB-CG 3.91Å; M1942-Y1949 HydrophobicContact CE-CD1 4.27Å; M1942-Y1949 HydrophobicContact CE-CE1 4.27Å; M1942-Y1949 HydrophobicContact CG-CD1 3.79Å; M1942-Y1949 HydrophobicContact CG-CD2 3.96Å; M1942-Y1949 HydrophobicContact CG-CE1 3.8Å; M1942-Y1949 HydrophobicContact CG-CE2 3.97Å; M1942-Y1949 HydrophobicContact CG-CG 3.88Å; M1942-Y1949 WeakPolarHBondContact O-CD2 3.49Å; M1942-Y1949 HydrophobicContact SD-CD1 3.96Å; M1942-Y1949 HydrophobicContact SD-CE1 4.35Å; M1942-Y1949 HydrophobicContact SD-CG 4.27Å
1943	K	81.4	Confident	85.4	Confident	70 Å²	70	57.5 Å²	57.5	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-17.3	177.7	179.4	176.8	168.9	-172.8	0	113.4	F1786 E1790 L1939 C1940 E1941 P1946	F1786-K1943 HydrophobicContact CB-CB 4.29Å; F1786-K1943 HydrophobicContact CB-CD 4.44Å; F1786-K1943 HydrophobicContact CB-CG 4.18Å; F1786-K1943 HydrophobicContact CD1-CB 3.92Å; F1786-K1943 HydrophobicContact CG-CB 4.18Å; E1790-K1943 IonicContact OE1-NZ 2.65Å; E1790-K1943 PolarHBondContact OE1-NZ 3.01Å; E1790-K1943 WeakPolarHBondContact OE2-CD 3.36Å; E1790-K1943 WeakPolarHBondContact OE2-CE 3.45Å; E1790-K1943 IonicContact OE2-NZ 3.74Å; E1790-K1943 PolarHBondContact OE2-NZ 3.37Å; L1939-K1943 WeakPolarHBondContact O-CB 3.43Å; L1939-K1943 PolarHBondContact O-N 3.02Å; C1940-K1943 PolarHBondContact O-N 2.96Å; E1941-K1943 PolarHBondContact O-N 3.45Å; K1943-P1946 WeakPolarHBondContact O-CD 3.29Å
1944	A	78.7	Confident	83.7	Confident	80 Å²	80	55 Å²	55	66%	0.661	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-25.5	173	0	0	0	0	0	113.8	E1941 M1942	E1941-A1944 WeakPolarHBondContact O-CB 3.45Å; E1941-A1944 PolarHBondContact O-N 3.02Å; M1942-A1944 PolarHBondContact O-N 3.49Å; M1942-A1944 VanDerWaalsContact O-N 3.09Å
1945	T	82.8	Confident	81.6	Confident	74 Å²	74	55.5 Å²	55.5	45%	0.454	30%	0.297	S	S	.	.	S	Bend	trans	-133.8	60.2	173.3	48.4	0	0	0	0	110.7	M1942 N1947 R1948 Y1949	M1942-T1945 CarbonylContact O-C 3.59Å; M1942-T1945 PolarHBondContact O-N 3.29Å; T1945-N1947 VanDerWaalsContact C-N 3.32Å; T1945-N1947 PolarHBondContact O-N 2.83Å; T1945-R1948 VanDerWaalsContact O-CB 3.23Å; T1945-R1948 WeakPolarHBondContact O-CB 3.13Å; T1945-R1948 PolarHBondContact O-N 3.1Å; T1945-Y1949 WeakPolarHBondContact O-CD2 3.41Å; T1945-Y1949 WeakPolarHBondContact OG1-CE2 3.3Å
1946	P	79.8	Confident	79.6	Confident	20 Å²	20	56.3 Å²	56.3	13%	0.13	30%	0.302	C	S	.	.	H	α-helix	trans	-68.2	-32.3	-155.9	30.3	-35.6	0	0	0	112.4	V1782 N1783 F1786 K1943 R1948 Y1949 L1950	V1782-P1946 HydrophobicContact CG1-CB 3.84Å; N1783-P1946 WeakPolarHBondContact OD1-CG 3.47Å; F1786-P1946 HydrophobicContact CD2-CB 3.52Å; F1786-P1946 HydrophobicContact CE2-CB 3.72Å; F1786-P1946 HydrophobicContact CG-CB 4.34Å; K1943-P1946 WeakPolarHBondContact O-CD 3.29Å; P1946-R1948 PolarHBondContact O-N 2.68Å; P1946-R1948 VanDerWaalsContact O-N 3.16Å; P1946-Y1949 PolarHBondContact O-N 2.88Å; P1946-L1950 PolarHBondContact O-N 2.65Å
1947	N	80.6	Confident	77.8	Confident	119 Å²	119	59.7 Å²	59.7	64%	0.636	32%	0.315	S	S	*	.	H	α-helix	trans	-66	-8.9	174.2	-64.4	-37.5	0	0	0	114.9	T1945 L1950	T1945-N1947 VanDerWaalsContact C-N 3.32Å; T1945-N1947 PolarHBondContact O-N 2.83Å; N1947-L1950 CarbonylContact C-O 3.33Å; N1947-L1950 VanDerWaalsContact CA-O 3.3Å; N1947-L1950 WeakPolarHBondContact CA-O 3.39Å
1948	R	82.7	Confident	75.6	Confident	147 Å²	147	62.2 Å²	62.2	56%	0.555	33%	0.328	S	S	*	.	H	α-helix	trans	-80.9	-29.9	170.4	175.5	-175.2	160.4	167.8	-2.9	111.8	S1911 D1913 T1945 P1946	S1911-R1948 VanDerWaalsContact CB-O 3.24Å; S1911-R1948 WeakPolarHBondContact CB-O 3.32Å; S1911-R1948 PolarHBondContact OG-O 2.87Å; D1913-R1948 IonicContact OD2-CZ 3.49Å; D1913-R1948 IonicContact OD2-NE 3.64Å; D1913-R1948 PolarHBondContact OD2-NE 2.94Å; D1913-R1948 IonicContact OD2-NH2 2.73Å; D1913-R1948 PolarHBondContact OD2-NH2 3.05Å; T1945-R1948 VanDerWaalsContact O-CB 3.23Å; T1945-R1948 WeakPolarHBondContact O-CB 3.13Å; T1945-R1948 PolarHBondContact O-N 3.1Å; P1946-R1948 PolarHBondContact O-N 2.68Å; P1946-R1948 VanDerWaalsContact O-N 3.16Å
1949	Y	86.6	Confident	73.1	Confident	31 Å²	31	63.8 Å²	63.8	12%	0.122	34%	0.338	C	S	.	.	H	α-helix	trans	-104.8	-33.5	-167.6	-66.6	-73.5	0	0	0	112.6	F1786 S1911 D1913 F1914 M1942 T1945 P1946	F1786-Y1949 HydrophobicContact CZ-CG 4.36Å; S1911-Y1949 PolarHBondContact N-O 3.07Å; S1911-Y1949 WeakPolarHBondContact OG-CA 3.23Å; D1913-Y1949 HydrophobicContact CB-CD1 3.6Å; D1913-Y1949 HydrophobicContact CB-CE1 3.51Å; D1913-Y1949 WeakPolarHBondContact OD2-CE1 3.04Å; F1914-Y1949 WeakPolarHBondContact CB-O 3.48Å; M1942-Y1949 HydrophobicContact CB-CD1 4.34Å; M1942-Y1949 HydrophobicContact CB-CD2 3.69Å; M1942-Y1949 HydrophobicContact CB-CE2 3.95Å; M1942-Y1949 HydrophobicContact CB-CG 3.91Å; M1942-Y1949 HydrophobicContact CE-CD1 4.27Å; M1942-Y1949 HydrophobicContact CE-CE1 4.27Å; M1942-Y1949 HydrophobicContact CG-CD1 3.79Å; M1942-Y1949 HydrophobicContact CG-CD2 3.96Å; M1942-Y1949 HydrophobicContact CG-CE1 3.8Å; M1942-Y1949 HydrophobicContact CG-CE2 3.97Å; M1942-Y1949 HydrophobicContact CG-CG 3.88Å; M1942-Y1949 WeakPolarHBondContact O-CD2 3.49Å; M1942-Y1949 HydrophobicContact SD-CD1 3.96Å; M1942-Y1949 HydrophobicContact SD-CE1 4.35Å; M1942-Y1949 HydrophobicContact SD-CG 4.27Å; T1945-Y1949 WeakPolarHBondContact O-CD2 3.41Å; T1945-Y1949 WeakPolarHBondContact OG1-CE2 3.3Å; P1946-Y1949 PolarHBondContact O-N 2.88Å
1950	L	87.4	Confident	70.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-129.1	143.1	170.9	-64.1	177.8	0	0	0	108.9	V1782 L1785 F1786 T1909 T1910 F1914 P1946 N1947	V1782-L1950 HydrophobicContact CB-CB 4.45Å; V1782-L1950 HydrophobicContact CG1-CB 3.8Å; V1782-L1950 HydrophobicContact CG2-CB 4.08Å; L1785-L1950 HydrophobicContact CB-CD1 3.65Å; L1785-L1950 HydrophobicContact CD1-CD1 4.04Å; F1786-L1950 HydrophobicContact CD2-CD1 3.8Å; F1786-L1950 HydrophobicContact CD2-CG 4.36Å; F1786-L1950 HydrophobicContact CE2-CB 4.09Å; F1786-L1950 HydrophobicContact CE2-CD1 3.61Å; F1786-L1950 HydrophobicContact CE2-CG 3.69Å; F1786-L1950 HydrophobicContact CZ-CD1 4.25Å; F1786-L1950 HydrophobicContact CZ-CG 4.19Å; T1909-L1950 CarbonylContact O-C 3.35Å; T1909-L1950 VanDerWaalsContact O-CA 3.29Å; T1909-L1950 WeakPolarHBondContact O-CA 3.5Å; T1910-L1950 HydrophobicContact CG2-CD2 3.5Å; F1914-L1950 HydrophobicContact CD1-CD2 3.63Å; F1914-L1950 HydrophobicContact CD1-CG 4.45Å; F1914-L1950 HydrophobicContact CD2-CD2 4.31Å; F1914-L1950 HydrophobicContact CD2-CG 4.28Å; F1914-L1950 HydrophobicContact CE1-CD2 3.78Å; F1914-L1950 HydrophobicContact CE1-CG 4.47Å; F1914-L1950 HydrophobicContact CE2-CD1 4.29Å; F1914-L1950 HydrophobicContact CE2-CD2 4.43Å; F1914-L1950 HydrophobicContact CE2-CG 4.3Å; F1914-L1950 HydrophobicContact CG-CD2 3.91Å; F1914-L1950 HydrophobicContact CG-CG 4.35Å; F1914-L1950 HydrophobicContact CZ-CD1 4.18Å; F1914-L1950 HydrophobicContact CZ-CD2 4.19Å; F1914-L1950 HydrophobicContact CZ-CG 4.4Å; P1946-L1950 PolarHBondContact O-N 2.65Å; N1947-L1950 CarbonylContact C-O 3.33Å; N1947-L1950 VanDerWaalsContact CA-O 3.3Å; N1947-L1950 WeakPolarHBondContact CA-O 3.39Å
1951	F	82.5	Confident	68.1	Low	77 Å²	77	71.8 Å²	71.8	34%	0.338	37%	0.374	S	S	.	.			trans	-143.9	139.8	176.9	47.2	-92.2	0	0	0	109.8	E1908 T1909 T1910 T1953	E1908-F1951 WeakPolarHBondContact O-CE2 3.45Å; T1909-F1951 CarbonylContact C-O 3.28Å; T1909-F1951 WeakPolarHBondContact CA-O 3.47Å; T1909-F1951 PolarHBondContact O-N 3.2Å; T1910-F1951 WeakPolarHBondContact O-CZ 3.46Å; F1951-T1953 HydrophobicContact CD2-CG2 3.86Å; F1951-T1953 HydrophobicContact CE2-CG2 4.46Å
1952	I	79	Confident	65.4	Low	29 Å²	29	70.2 Å²	70.2	15%	0.149	37%	0.374	C	S	.	.			trans	-120.1	90.6	177.7	-53.7	171	0	0	0	106.1	I1780 V1782 L1785 F1881 R1957	I1780-I1952 HydrophobicContact CG2-CD1 4.39Å; V1782-I1952 HydrophobicContact CG2-CD1 4.03Å; V1782-I1952 HydrophobicContact CG2-CG1 3.87Å; L1785-I1952 HydrophobicContact CD1-CD1 4.47Å; F1881-I1952 HydrophobicContact CE1-CD1 4.39Å; F1881-I1952 HydrophobicContact CZ-CD1 3.97Å; F1881-I1952 HydrophobicContact CZ-CG1 4.1Å; F1881-I1952 HydrophobicContact CZ-CG2 4.16Å; I1952-R1957 HydrophobicContact CG2-CG 3.84Å
1953	T	68.3	Low	62.6	Low	41 Å²	41	75.6 Å²	75.6	25%	0.252	40%	0.404	S	S	.	.			trans	-69.9	160.3	-175.3	82	0	0	0	0	111.5	F1951 E1955 L1956 R1957	F1951-T1953 HydrophobicContact CD2-CG2 3.86Å; F1951-T1953 HydrophobicContact CE2-CG2 4.46Å; T1953-E1955 WeakPolarHBondContact CB-OE2 3.44Å; T1953-E1955 PolarHBondContact O-N 2.74Å; T1953-E1955 PolarHBondContact OG1-N 3.2Å; T1953-E1955 PolarHBondContact OG1-OE2 2.87Å; T1953-L1956 HydrophobicContact CG2-CD1 4.25Å; T1953-L1956 PolarHBondContact O-N 3.37Å; T1953-L1956 PolarHBondContact OG1-N 2.03Å; T1953-L1956 VanDerWaalsContact OG1-N 3.16Å; T1953-R1957 WeakPolarHBondContact O-CG 3.38Å; T1953-R1957 PolarHBondContact O-N 2.77Å
1954	P	55.8	Low	60.2	Low	95 Å²	95	75.2 Å²	75.2	62%	0.617	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-37.1	173.2	-24	35.6	0	0	0	112.7	R1957 T1958	P1954-R1957 CarbonylContact O-C 3.31Å; P1954-R1957 WeakPolarHBondContact O-CA 3.38Å; P1954-R1957 WeakPolarHBondContact O-CB 3.42Å; P1954-R1957 PolarHBondContact O-N 3.47Å; P1954-R1957 VanDerWaalsContact O-N 3.07Å; P1954-T1958 PolarHBondContact O-N 3.07Å
1955	E	51.6	Low	58.2	Low	119 Å²	119	75.1 Å²	75.1	56%	0.556	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-42.1	177.2	-53.6	74.1	-160.5	0	0	111	T1953 R1957 T1958 S1959	T1953-E1955 WeakPolarHBondContact CB-OE2 3.44Å; T1953-E1955 PolarHBondContact O-N 2.74Å; T1953-E1955 PolarHBondContact OG1-N 3.2Å; T1953-E1955 PolarHBondContact OG1-OE2 2.87Å; E1955-R1957 PolarHBondContact O-N 2.9Å; E1955-T1958 CarbonylContact O-C 3.45Å; E1955-T1958 PolarHBondContact O-N 3.37Å; E1955-T1958 PolarHBondContact O-OG1 2.83Å; E1955-T1958 VanDerWaalsContact O-OG1 3.06Å; E1955-S1959 WeakPolarHBondContact O-CB 3.18Å; E1955-S1959 PolarHBondContact O-N 3.03Å; E1955-S1959 PolarHBondContact O-OG 2.75Å
1956	L	52.9	Low	56	Low	18 Å²	18	74.5 Å²	74.5	9%	0.094	39%	0.388	C	S	.	.	H	α-helix	trans	-63.1	-23.4	173.1	-87.2	160.8	0	0	0	113.6	E1908 T1909 T1953 T1958	E1908-L1956 HydrophobicContact CB-CD1 4.03Å; E1908-L1956 HydrophobicContact CB-CD2 3.76Å; E1908-L1956 HydrophobicContact CB-CG 4.35Å; T1909-L1956 HydrophobicContact CG2-CD1 3.96Å; T1909-L1956 HydrophobicContact CG2-CD2 4.4Å; T1953-L1956 HydrophobicContact CG2-CD1 4.25Å; T1953-L1956 PolarHBondContact O-N 3.37Å; T1953-L1956 PolarHBondContact OG1-N 2.03Å; T1953-L1956 VanDerWaalsContact OG1-N 3.16Å; L1956-T1958 VanDerWaalsContact C-N 3.3Å
1957	R	54.1	Low	53.9	Low	72 Å²	72	74.7 Å²	74.7	27%	0.272	39%	0.389	S	S	.	.	H	α-helix	trans	-85.2	0.6	172.5	-60.3	-174.2	168.9	-115.1	-13.4	113.3	W1777 D1778 I1780 I1952 T1953 P1954 E1955	W1777-R1957 HydrophobicContact CH2-CB 4.29Å; W1777-R1957 WeakPolarHBondContact CH2-O 3.35Å; W1777-R1957 HydrophobicContact CZ3-CB 3.82Å; W1777-R1957 HydrophobicContact CZ3-CG 3.94Å; D1778-R1957 PolarHBondContact O-NH1 2.99Å; I1780-R1957 PolarHBondContact O-NH2 2.99Å; I1952-R1957 HydrophobicContact CG2-CG 3.84Å; T1953-R1957 WeakPolarHBondContact O-CG 3.38Å; T1953-R1957 PolarHBondContact O-N 2.77Å; P1954-R1957 CarbonylContact O-C 3.31Å; P1954-R1957 WeakPolarHBondContact O-CA 3.38Å; P1954-R1957 WeakPolarHBondContact O-CB 3.42Å; P1954-R1957 PolarHBondContact O-N 3.47Å; P1954-R1957 VanDerWaalsContact O-N 3.07Å; E1955-R1957 PolarHBondContact O-N 2.9Å
1958	T	41.2	Very low	51.9	Low	97 Å²	97	73.2 Å²	73.2	60%	0.595	38%	0.378	S	S	*	.	H	α-helix	trans	-127.6	-23.8	176.9	59.9	0	0	0	0	114.1	P1954 E1955 L1956 F1961	P1954-T1958 PolarHBondContact O-N 3.07Å; E1955-T1958 CarbonylContact O-C 3.45Å; E1955-T1958 PolarHBondContact O-N 3.37Å; E1955-T1958 PolarHBondContact O-OG1 2.83Å; E1955-T1958 VanDerWaalsContact O-OG1 3.06Å; L1956-T1958 VanDerWaalsContact C-N 3.3Å; T1958-F1961 PolarHBondContact O-N 3.05Å
1959	S	40	Very low	49.8	Very low	57 Å²	57	66.8 Å²	66.8	40%	0.399	36%	0.355	S	S	.	.	H	α-helix	trans	-70.2	-35.5	-177.8	59.6	0	0	0	0	113.6	E1955 F1961	E1955-S1959 WeakPolarHBondContact O-CB 3.18Å; E1955-S1959 PolarHBondContact O-N 3.03Å; E1955-S1959 PolarHBondContact O-OG 2.75Å; S1959-F1961 PolarHBondContact O-N 2.93Å
1960	N	37.5	Very low	47.3	Very low	76 Å²	76	65.8 Å²	65.8	41%	0.406	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	8.5	179	-96.7	1.4	0	0	0	114.7	H1883 T1962	H1883-N1960 PolarHBondContact NE2-ND2 3.08Å; N1960-T1962 PolarHBondContact O-N 3.2Å
1961	F	33.8	Very low	45.1	Very low	115 Å²	115	68.4 Å²	68.4	50%	0.504	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	37.2	176.6	-105.9	-85.2	0	0	0	114.4	W1777 T1958 S1959	W1777-F1961 HydrophobicContact CH2-CE2 4.27Å; W1777-F1961 HydrophobicContact CZ2-CD2 4.5Å; W1777-F1961 AromaticContact CZ2-CE2 3.97Å; W1777-F1961 HydrophobicContact CZ2-CE2 3.97Å; T1958-F1961 PolarHBondContact O-N 3.05Å; S1959-F1961 PolarHBondContact O-N 2.93Å
1962	T	28.6	Very low	43.1	Very low	115 Å²	115	67.4 Å²	67.4	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	24.2	-175.8	50.5	0	0	0	0	114.9	N1960	N1960-T1962 PolarHBondContact O-N 3.2Å
1963	N	30.1	Very low	41.1	Very low	136 Å²	136	67.8 Å²	67.8	73%	0.727	36%	0.364	S	S	*	.			trans	-142.4	152.8	164.3	-95.4	-54.6	0	0	0	112.8
1964	Q	30.6	Very low	39.7	Very low	61 Å²	61	67.9 Å²	67.9	29%	0.285	36%	0.363	S	S	.	.	S	Bend	trans	-102.8	-3.7	-160.5	-130.5	-175.8	11.2	0	0	116	W71 R72	W71-Q1964 HydrophobicContact CH2-CG 4.5Å; W71-Q1964 HydrophobicContact CZ2-CG 3.49Å; W71-Q1964 VanDerWaalsContact CZ2-CG 3.49Å; R72-Q1964 VanDerWaalsContact CZ-OE1 3.25Å; R72-Q1964 VanDerWaalsContact NE-CD 3.25Å
1965	D	36.9	Very low	39	Very low	78 Å²	78	66.6 Å²	66.6	42%	0.417	35%	0.353	S	S	.	.			trans	-92.2	-24.5	-159.4	-63.3	-7.9	0	0	0	115.3	S1967 Q1968 N1969	D1965-S1967 PolarHBondContact O-N 2.99Å; D1965-Q1968 PolarHBondContact O-N 3.23Å; D1965-Q1968 VanDerWaalsContact O-N 3.14Å; D1965-N1969 PolarHBondContact O-N 3.36Å; D1965-N1969 PolarHBondContact O-OD1 2.93Å; D1965-N1969 VanDerWaalsContact O-OD1 3.1Å
1966	T	36.2	Very low	38.5	Very low	62 Å²	62	61 Å²	61	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-62.7	-12.6	-165.7	53.9	0	0	0	0	116	K1774	K1774-T1966 HydrophobicContact CB-CG2 4.45Å; K1774-T1966 WeakPolarHBondContact O-CG2 3.34Å
1967	S	35.6	Very low	37.5	Very low	24 Å²	24	60.8 Å²	60.8	17%	0.168	33%	0.327	C	S	.	.	H	α-helix	trans	-116.6	-16.8	-179.4	50.2	0	0	0	0	114.2	I145 D1965 N1969 L1971	I145-S1967 WeakPolarHBondContact CB-OG 3.23Å; I145-S1967 VanDerWaalsContact CG2-CB 3.47Å; D1965-S1967 PolarHBondContact O-N 2.99Å; S1967-N1969 VanDerWaalsContact C-N 3.35Å; S1967-L1971 WeakPolarHBondContact O-CB 3.35Å; S1967-L1971 PolarHBondContact O-N 2.96Å
1968	Q	38.4	Very low	36.6	Very low	87 Å²	87	60.2 Å²	60.2	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-66.1	-43.8	161.6	-176	66.7	17.2	0	0	108.9	D1965 L1971 E1972	D1965-Q1968 PolarHBondContact O-N 3.23Å; D1965-Q1968 VanDerWaalsContact O-N 3.14Å; Q1968-L1971 PolarHBondContact O-N 2.85Å; Q1968-E1972 HydrophobicContact CG-CG 4.49Å; Q1968-E1972 PolarHBondContact NE2-OE1 2.84Å; Q1968-E1972 WeakPolarHBondContact O-CB 3.45Å; Q1968-E1972 WeakPolarHBondContact O-CG 3.26Å; Q1968-E1972 PolarHBondContact O-N 3.41Å
1969	N	38.2	Very low	36.5	Very low	13 Å²	13	59.2 Å²	59.2	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-40.5	-178.8	-58.4	16.9	0	0	0	111.9	E1771 D1965 S1967 L1971 E1972 F1973 E2182 I2183	E1771-N1969 WeakPolarHBondContact OE1-CB 3.35Å; D1965-N1969 PolarHBondContact O-N 3.36Å; D1965-N1969 PolarHBondContact O-OD1 2.93Å; D1965-N1969 VanDerWaalsContact O-OD1 3.1Å; S1967-N1969 VanDerWaalsContact C-N 3.35Å; N1969-L1971 PolarHBondContact O-N 3.25Å; N1969-E1972 PolarHBondContact O-N 2.94Å; N1969-F1973 VanDerWaalsContact O-CB 3.24Å; N1969-F1973 WeakPolarHBondContact O-CB 3.33Å; N1969-F1973 PolarHBondContact O-N 2.85Å; N1969-E2182 PolarHBondContact ND2-OE1 3.22Å; N1969-I2183 WeakPolarHBondContact OD1-CD1 3.23Å
1970	A	35.5	Very low	36.2	Very low	10 Å²	10	57 Å²	57	8%	0.083	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-46.9	171.4	0	0	0	0	0	113.1	I1775 F1973 L1974	I1775-A1970 HydrophobicContact CB-CB 4.36Å; I1775-A1970 HydrophobicContact CD1-CB 3.54Å; I1775-A1970 HydrophobicContact CG1-CB 3.74Å; I1775-A1970 HydrophobicContact CG2-CB 3.6Å; A1970-F1973 PolarHBondContact O-N 3.11Å; A1970-L1974 WeakPolarHBondContact O-CB 3.3Å; A1970-L1974 PolarHBondContact O-N 3.18Å
1971	L	39.5	Very low	36	Very low	54 Å²	54	56.7 Å²	56.7	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-72.8	-36.1	-179	-176	64.8	0	0	0	111.4	K150 S1967 Q1968 N1969 L1974 T1975	K150-L1971 VanDerWaalsContact CE-CD2 3.45Å; S1967-L1971 WeakPolarHBondContact O-CB 3.35Å; S1967-L1971 PolarHBondContact O-N 2.96Å; Q1968-L1971 PolarHBondContact O-N 2.85Å; N1969-L1971 PolarHBondContact O-N 3.25Å; L1971-L1974 PolarHBondContact O-N 3.46Å; L1971-T1975 VanDerWaalsContact O-CB 3.22Å; L1971-T1975 WeakPolarHBondContact O-CB 3.5Å; L1971-T1975 PolarHBondContact O-N 3.02Å; L1971-T1975 PolarHBondContact O-OG1 2.92Å
1972	E	40.5	Very low	36	Very low	56 Å²	56	54.4 Å²	54.4	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-43.9	172	-79.3	-175	-161.1	0	0	110.9	Q1968 N1969 L1974 T1975 S1976 N2181	Q1968-E1972 HydrophobicContact CG-CG 4.49Å; Q1968-E1972 PolarHBondContact NE2-OE1 2.84Å; Q1968-E1972 WeakPolarHBondContact O-CB 3.45Å; Q1968-E1972 WeakPolarHBondContact O-CG 3.26Å; Q1968-E1972 PolarHBondContact O-N 3.41Å; N1969-E1972 PolarHBondContact O-N 2.94Å; E1972-L1974 VanDerWaalsContact C-N 3.34Å; E1972-L1974 PolarHBondContact O-N 2.89Å; E1972-T1975 PolarHBondContact O-N 3.28Å; E1972-S1976 WeakPolarHBondContact O-CA 3.11Å; E1972-S1976 WeakPolarHBondContact O-CB 3.49Å; E1972-S1976 PolarHBondContact O-N 3.07Å; E1972-N2181 PolarHBondContact OE2-ND2 3.22Å
1973	F	38.7	Very low	35.9	Very low	38 Å²	38	53 Å²	53	17%	0.167	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-25.2	176.9	-175.8	-92.1	0	0	0	113.4	I1635 N1969 A1970 S1976 C1977	I1635-F1973 HydrophobicContact CB-CE2 3.91Å; I1635-F1973 HydrophobicContact CB-CZ 4.36Å; I1635-F1973 HydrophobicContact CG2-CE2 3.96Å; I1635-F1973 HydrophobicContact CG2-CZ 3.95Å; I1635-F1973 WeakPolarHBondContact O-CD2 3.4Å; I1635-F1973 WeakPolarHBondContact O-CE2 3.33Å; N1969-F1973 VanDerWaalsContact O-CB 3.24Å; N1969-F1973 WeakPolarHBondContact O-CB 3.33Å; N1969-F1973 PolarHBondContact O-N 2.85Å; A1970-F1973 PolarHBondContact O-N 3.11Å; F1973-S1976 WeakPolarHBondContact O-CB 3.47Å; F1973-S1976 PolarHBondContact O-OG 3.23Å; F1973-C1977 PolarHBondContact O-N 3.24Å; F1973-C1977 PolarHBondContact O-SG 2.86Å
1974	L	37.1	Very low	35.8	Very low	42 Å²	42	47.3 Å²	47.3	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-84.3	-37.6	168.7	-77.2	168.5	0	0	0	113	A1970 L1971 E1972 C1977 L1978 I2042	A1970-L1974 WeakPolarHBondContact O-CB 3.3Å; A1970-L1974 PolarHBondContact O-N 3.18Å; L1971-L1974 PolarHBondContact O-N 3.46Å; E1972-L1974 VanDerWaalsContact C-N 3.34Å; E1972-L1974 PolarHBondContact O-N 2.89Å; L1974-C1977 WeakPolarHBondContact O-CA 3.08Å; L1974-C1977 WeakPolarHBondContact O-CB 3.37Å; L1974-C1977 PolarHBondContact O-N 3.47Å; L1974-L1978 WeakPolarHBondContact O-CD1 3.5Å; L1974-L1978 VanDerWaalsContact O-CG 3.3Å; L1974-L1978 WeakPolarHBondContact O-CG 3.12Å; L1974-L1978 PolarHBondContact O-N 2.9Å; L1974-I2042 HydrophobicContact CD1-CD1 4.28Å
1975	T	41	Very low	35.8	Very low	69 Å²	69	50.8 Å²	50.8	42%	0.423	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-52.6	177.1	-58.8	0	0	0	0	110.1	L1971 E1972 C1977 L1978 T1979	L1971-T1975 VanDerWaalsContact O-CB 3.22Å; L1971-T1975 WeakPolarHBondContact O-CB 3.5Å; L1971-T1975 PolarHBondContact O-N 3.02Å; L1971-T1975 PolarHBondContact O-OG1 2.92Å; E1972-T1975 PolarHBondContact O-N 3.28Å; T1975-C1977 VanDerWaalsContact C-N 3.33Å; T1975-C1977 PolarHBondContact O-N 3.34Å; T1975-L1978 CarbonylContact O-C 3.47Å; T1975-L1978 WeakPolarHBondContact O-CA 2.96Å; T1975-L1978 WeakPolarHBondContact O-CB 2.98Å; T1975-L1978 PolarHBondContact O-N 2.99Å; T1975-T1979 HydrophobicContact CG2-CG2 3.82Å; T1975-T1979 WeakPolarHBondContact O-CG2 3.08Å; T1975-T1979 PolarHBondContact O-N 3.18Å; T1975-T1979 PolarHBondContact O-OG1 3.04Å
1976	S	41.2	Very low	35.3	Very low	1 Å²	1	50.1 Å²	50.1	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-16.8	-69.4	145.4	144.9	0	0	0	0	114.4	P1633 L1634 I1635 E1972 F1973 L1978 T1979	P1633-S1976 WeakPolarHBondContact CB-O 3.46Å; L1634-S1976 PolarHBondContact N-O 3.22Å; L1634-S1976 CarbonylContact O-C 3.26Å; L1634-S1976 WeakPolarHBondContact O-CA 3.36Å; L1634-S1976 WeakPolarHBondContact O-CB 3.47Å; L1634-S1976 PolarHBondContact O-OG 3.23Å; I1635-S1976 VanDerWaalsContact CA-OG 3.3Å; I1635-S1976 WeakPolarHBondContact CA-OG 3.44Å; E1972-S1976 WeakPolarHBondContact O-CA 3.11Å; E1972-S1976 WeakPolarHBondContact O-CB 3.49Å; E1972-S1976 PolarHBondContact O-N 3.07Å; F1973-S1976 WeakPolarHBondContact O-CB 3.47Å; F1973-S1976 PolarHBondContact O-OG 3.23Å; S1976-L1978 PolarHBondContact O-N 2.7Å; S1976-T1979 PolarHBondContact O-N 2.99Å; S1976-T1979 PolarHBondContact O-OG1 3.16Å
1977	C	33.5	Very low	34.8	Very low	14 Å²	14	50 Å²	50	10%	0.095	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	1.5	-175.6	-75	0	0	0	0	114.8	P1633 I1635 Y1763 F1973 L1974 T1975	P1633-C1977 VanDerWaalsContact CG-C 3.48Å; P1633-C1977 WeakPolarHBondContact CG-O 3.38Å; I1635-C1977 WeakPolarHBondContact CG2-SG 3.43Å; Y1763-C1977 PolarHBondContact OH-SG 2.77Å; Y1763-C1977 VanDerWaalsContact OH-SG 3.35Å; F1973-C1977 PolarHBondContact O-N 3.24Å; F1973-C1977 PolarHBondContact O-SG 2.86Å; L1974-C1977 WeakPolarHBondContact O-CA 3.08Å; L1974-C1977 WeakPolarHBondContact O-CB 3.37Å; L1974-C1977 PolarHBondContact O-N 3.47Å; T1975-C1977 VanDerWaalsContact C-N 3.33Å; T1975-C1977 PolarHBondContact O-N 3.34Å
1978	L	35.3	Very low	34.9	Very low	60 Å²	60	53.5 Å²	53.5	31%	0.314	30%	0.297	S	S	.	.	H	α-helix	trans	-134.6	-25.6	-171	-61.2	166.9	0	0	0	113.4	L1974 T1975 S1976 D1980 T1981 T1982 Y2049	L1974-L1978 WeakPolarHBondContact O-CD1 3.5Å; L1974-L1978 VanDerWaalsContact O-CG 3.3Å; L1974-L1978 WeakPolarHBondContact O-CG 3.12Å; L1974-L1978 PolarHBondContact O-N 2.9Å; T1975-L1978 CarbonylContact O-C 3.47Å; T1975-L1978 WeakPolarHBondContact O-CA 2.96Å; T1975-L1978 WeakPolarHBondContact O-CB 2.98Å; T1975-L1978 PolarHBondContact O-N 2.99Å; S1976-L1978 PolarHBondContact O-N 2.7Å; L1978-D1980 PolarHBondContact O-N 3.46Å; L1978-D1980 VanDerWaalsContact O-N 3.15Å; L1978-T1981 PolarHBondContact O-OG1 3.24Å; L1978-T1982 PolarHBondContact O-OG1 2.83Å; L1978-Y2049 HydrophobicContact CD1-CE1 3.78Å; L1978-Y2049 HydrophobicContact CD1-CE2 4.43Å; L1978-Y2049 WeakPolarHBondContact CD1-OH 3.03Å; L1978-Y2049 HydrophobicContact CD2-CE1 3.57Å; L1978-Y2049 HydrophobicContact CG-CE1 4.31Å
1979	T	38.7	Very low	34.8	Very low	75 Å²	75	54.4 Å²	54.4	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-66.8	-13.8	-176.2	43.7	0	0	0	0	115.2	T1975 S1976 T1982	T1975-T1979 HydrophobicContact CG2-CG2 3.82Å; T1975-T1979 WeakPolarHBondContact O-CG2 3.08Å; T1975-T1979 PolarHBondContact O-N 3.18Å; T1975-T1979 PolarHBondContact O-OG1 3.04Å; S1976-T1979 PolarHBondContact O-N 2.99Å; S1976-T1979 PolarHBondContact O-OG1 3.16Å; T1979-T1982 PolarHBondContact O-OG1 2.93Å
1980	D	33	Very low	34.1	Very low	12 Å²	12	57.4 Å²	57.4	6%	0.064	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.9	11.3	179.5	4.7	14.6	0	0	0	115.2	G1632 P1633 L1634 L1978 T1982 I1983	G1632-D1980 CarbonylContact C-O 3.55Å; G1632-D1980 WeakPolarHBondContact CA-O 3.41Å; P1633-D1980 VanDerWaalsContact CA-CB 3.45Å; P1633-D1980 WeakPolarHBondContact CA-OD1 3.07Å; P1633-D1980 HydrophobicContact CB-CB 4.33Å; L1634-D1980 WeakPolarHBondContact CD1-OD2 3.35Å; L1634-D1980 WeakPolarHBondContact CD2-OD2 3.44Å; L1634-D1980 PolarHBondContact N-OD1 2.86Å; L1978-D1980 PolarHBondContact O-N 3.46Å; L1978-D1980 VanDerWaalsContact O-N 3.15Å; D1980-T1982 PolarHBondContact N-OG1 3.19Å; D1980-T1982 PolarHBondContact O-N 3.08Å; D1980-I1983 HydrophobicContact CB-CB 3.56Å; D1980-I1983 HydrophobicContact CB-CD1 3.68Å; D1980-I1983 HydrophobicContact CB-CG1 3.6Å; D1980-I1983 WeakPolarHBondContact O-CA 3.49Å; D1980-I1983 WeakPolarHBondContact O-CB 3.1Å; D1980-I1983 PolarHBondContact O-N 2.83Å
1981	T	34.7	Very low	33.6	Very low	69 Å²	69	62.7 Å²	62.7	42%	0.423	35%	0.346	S	S	.	.	H	α-helix	trans	-58.8	-37.3	150.9	10.7	0	0	0	0	108	P1633 L1978 I1983 S1984 L1985	P1633-T1981 HydrophobicContact CG-CG2 3.98Å; L1978-T1981 PolarHBondContact O-OG1 3.24Å; T1981-I1983 PolarHBondContact O-N 3.41Å; T1981-I1983 VanDerWaalsContact O-N 3.08Å; T1981-S1984 PolarHBondContact O-N 3.22Å; T1981-S1984 VanDerWaalsContact O-N 3.14Å; T1981-L1985 PolarHBondContact O-N 3.09Å
1982	T	32.8	Very low	32.9	Very low	67 Å²	67	66.7 Å²	66.7	41%	0.411	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	25.3	155.3	54.1	0	0	0	0	115.5	L1978 T1979 D1980 K1986	L1978-T1982 PolarHBondContact O-OG1 2.83Å; T1979-T1982 PolarHBondContact O-OG1 2.93Å; D1980-T1982 PolarHBondContact N-OG1 3.19Å; D1980-T1982 PolarHBondContact O-N 3.08Å; T1982-K1986 VanDerWaalsContact O-CB 3.23Å; T1982-K1986 WeakPolarHBondContact O-CB 3.29Å; T1982-K1986 WeakPolarHBondContact O-CD 3.44Å; T1982-K1986 WeakPolarHBondContact O-CG 3.31Å
1983	I	27	Very low	32	Very low	84 Å²	84	67.4 Å²	67.4	43%	0.431	38%	0.378	S	S	.	.	H	α-helix	trans	-117.6	-15.8	159.2	-84.2	-173.4	0	0	0	112.4	R1631 D1980 T1981 K1986	R1631-I1983 CarbonylContact O-C 3.52Å; D1980-I1983 HydrophobicContact CB-CB 3.56Å; D1980-I1983 HydrophobicContact CB-CD1 3.68Å; D1980-I1983 HydrophobicContact CB-CG1 3.6Å; D1980-I1983 WeakPolarHBondContact O-CA 3.49Å; D1980-I1983 WeakPolarHBondContact O-CB 3.1Å; D1980-I1983 PolarHBondContact O-N 2.83Å; T1981-I1983 PolarHBondContact O-N 3.41Å; T1981-I1983 VanDerWaalsContact O-N 3.08Å; I1983-K1986 CarbonylContact O-C 3.56Å
1984	S	27.7	Very low	31.3	Very low	18 Å²	18	69.1 Å²	69.1	13%	0.126	40%	0.395	C	S	.	.	H	α-helix	trans	-131.8	7	173.8	-164.3	0	0	0	0	117.2	I1630 R1631 T1981 K1986	I1630-S1984 VanDerWaalsContact C-CB 3.47Å; I1630-S1984 WeakPolarHBondContact CA-OG 3.03Å; I1630-S1984 WeakPolarHBondContact CG2-O 3.39Å; I1630-S1984 WeakPolarHBondContact CG2-OG 3.21Å; R1631-S1984 VanDerWaalsContact C-CB 3.42Å; R1631-S1984 PolarHBondContact N-OG 2.76Å; R1631-S1984 VanDerWaalsContact N-OG 3.13Å; R1631-S1984 WeakPolarHBondContact O-CB 3.45Å; R1631-S1984 PolarHBondContact O-N 3.43Å; T1981-S1984 PolarHBondContact O-N 3.22Å; T1981-S1984 VanDerWaalsContact O-N 3.14Å; S1984-K1986 VanDerWaalsContact C-N 3.33Å
1985	L	30.5	Very low	30.8	Very low	134 Å²	134	70 Å²	70	70%	0.702	40%	0.399	S	S	*	.	S	Bend		-105.7	33.1	128.9	-71.2	173.9	0	0	0	111.6	T1981	T1981-L1985 PolarHBondContact O-N 3.09Å
1986	K	25.5	Very low	30.2	Very low	64 Å²	64	68.9 Å²	68.9	28%	0.278	39%	0.389	S	S	.	.			trans	-118.4	35.5	149.4	-74.4	-160	-171.1	-163.9	0	112.5	T1982 I1983 S1984 T1990 N1991	T1982-K1986 VanDerWaalsContact O-CB 3.23Å; T1982-K1986 WeakPolarHBondContact O-CB 3.29Å; T1982-K1986 WeakPolarHBondContact O-CD 3.44Å; T1982-K1986 WeakPolarHBondContact O-CG 3.31Å; I1983-K1986 CarbonylContact O-C 3.56Å; S1984-K1986 VanDerWaalsContact C-N 3.33Å; K1986-T1990 HydrophobicContact CB-CG2 3.76Å; K1986-T1990 HydrophobicContact CD-CG2 4.1Å; K1986-T1990 WeakPolarHBondContact CD-O 3.44Å; K1986-T1990 WeakPolarHBondContact CE-O 3.26Å; K1986-T1990 HydrophobicContact CG-CG2 4.19Å; K1986-T1990 PolarHBondContact NZ-O 2.9Å; K1986-T1990 WeakPolarHBondContact O-CG2 3.28Å; K1986-N1991 VanDerWaalsContact CE-OD1 3.26Å; K1986-N1991 WeakPolarHBondContact CE-OD1 3.48Å; K1986-N1991 PolarHBondContact NZ-OD1 3.49Å
1987	S	27.1	Very low	29.7	Very low	58 Å²	58	72.3 Å²	72.3	41%	0.406	41%	0.413	S	S	.	.	S	Bend	trans	-74.7	114.7	136.9	45.7	0	0	0	0	106.8	H1989	S1987-H1989 VanDerWaalsContact C-CE1 3.46Å; S1987-H1989 VanDerWaalsContact C-ND1 3.27Å; S1987-H1989 CarbonylContact C-O 3.59Å; S1987-H1989 PolarHBondContact O-CE1 2.7Å; S1987-H1989 VanDerWaalsContact O-CE1 3.29Å; S1987-H1989 PolarHBondContact O-ND1 3.03Å
1988	T	36.3	Very low	29.6	Very low	99 Å²	99	75.5 Å²	75.5	61%	0.607	42%	0.423	S	S	*	.	S	Bend	cis	-165.1	-0.3	1.4	-9.7	0	0	0	0	116.7
1989	H	37.3	Very low	29.4	Very low	106 Å²	106	73.2 Å²	73.2	49%	0.491	41%	0.411	S	S	.	.	S	Bend	cis	50.9	87	22.9	35.9	111.4	0	0	0	114.6	D1119 S1987	D1119-H1989 IonicContact OD2-CD2 2.72Å; D1119-H1989 PolarHBondContact OD2-CD2 3.03Å; D1119-H1989 IonicContact OD2-CG 3.61Å; D1119-H1989 IonicContact OD2-NE2 3.61Å; S1987-H1989 VanDerWaalsContact C-CE1 3.46Å; S1987-H1989 VanDerWaalsContact C-ND1 3.27Å; S1987-H1989 CarbonylContact C-O 3.59Å; S1987-H1989 PolarHBondContact O-CE1 2.7Å; S1987-H1989 VanDerWaalsContact O-CE1 3.29Å; S1987-H1989 PolarHBondContact O-ND1 3.03Å
1990	T	23.8	Very low	29.2	Very low	75 Å²	75	74.9 Å²	74.9	46%	0.46	41%	0.414	S	S	.	.			trans	-145.4	27	-149.7	49.1	0	0	0	0	119.3	K1986	K1986-T1990 HydrophobicContact CB-CG2 3.76Å; K1986-T1990 HydrophobicContact CD-CG2 4.1Å; K1986-T1990 WeakPolarHBondContact CD-O 3.44Å; K1986-T1990 WeakPolarHBondContact CE-O 3.26Å; K1986-T1990 HydrophobicContact CG-CG2 4.19Å; K1986-T1990 PolarHBondContact NZ-O 2.9Å; K1986-T1990 WeakPolarHBondContact O-CG2 3.28Å
1991	N	24.3	Very low	29.3	Very low	121 Å²	121	79.5 Å²	79.5	65%	0.647	44%	0.437	S	S	*	.			trans	-167	138	155.6	-117.1	1.6	0	0	0	117	K1986	K1986-N1991 VanDerWaalsContact CE-OD1 3.26Å; K1986-N1991 WeakPolarHBondContact CE-OD1 3.48Å; K1986-N1991 PolarHBondContact NZ-OD1 3.49Å
1992	I	24.9	Very low	29.3	Very low	139 Å²	139	81.8 Å²	81.8	71%	0.713	44%	0.439	S	S	*	.	S	Bend	trans	63.7	126.3	148.7	-58.5	162.9	0	0	0	118.9
1993	S	21.8	Very low	29.2	Very low	70 Å²	70	81 Å²	81	49%	0.49	43%	0.432	S	S	.	.			trans	67.3	148.6	167.5	72.1	0	0	0	0	117.5	F1128	F1128-S1993 WeakPolarHBondContact CZ-OG 3.2Å
1994	S	24.1	Very low	29.6	Very low	74 Å²	74	80 Å²	80	52%	0.517	43%	0.428	S	S	.	.			trans	63.2	122.2	-168.4	78.5	0	0	0	0	112.7
1995	I	25.8	Very low	30.1	Very low	62 Å²	62	83.2 Å²	83.2	32%	0.318	44%	0.443	S	S	.	.			cis	57.4	104.9	19.6	-60.2	167.2	0	0	0	111.3	Q1220 L1223	Q1220-I1995 HydrophobicContact CB-CG2 4.28Å; Q1220-I1995 HydrophobicContact CG-CG2 3.74Å; L1223-I1995 HydrophobicContact CD1-CD1 3.46Å; L1223-I1995 VanDerWaalsContact CD1-CD1 3.46Å
1996	Q	28.2	Very low	30.3	Very low	45 Å²	45	81.8 Å²	81.8	21%	0.21	44%	0.436	C	S	.	.			trans	80.9	46.1	173.1	-52.8	151.4	13.7	0	0	118.9	N1217 H1218 Y1998 Q1999	N1217-Q1996 PolarHBondContact O-NE2 3.18Å; H1218-Q1996 VanDerWaalsContact CA-NE2 3.33Å; H1218-Q1996 PolarHBondContact CD2-OE1 3.01Å; H1218-Q1996 PolarHBondContact O-NE2 2.99Å; H1218-Q1996 PolarHBondContact O-OE1 3.04Å; Q1996-Y1998 VanDerWaalsContact C-N 3.35Å; Q1996-Q1999 HydrophobicContact CB-CB 3.94Å; Q1996-Q1999 VanDerWaalsContact CD-OE1 3.23Å; Q1996-Q1999 HydrophobicContact CG-CB 4.09Å; Q1996-Q1999 VanDerWaalsContact CG-OE1 3.26Å
1997	S	31.1	Very low	30.7	Very low	72 Å²	72	85 Å²	85	50%	0.503	45%	0.452	S	S	.	.	S	Bend	trans	-78	-26.8	134.7	46.7	0	0	0	0	111.6	W1120 Q1999 Q2000 I2001	W1120-S1997 VanDerWaalsContact CH2-CB 3.49Å; S1997-Q1999 PolarHBondContact O-N 2.67Å; S1997-Q1999 VanDerWaalsContact O-N 3.13Å; S1997-Q2000 PolarHBondContact O-N 3.2Å; S1997-Q2000 VanDerWaalsContact O-N 3.07Å; S1997-I2001 PolarHBondContact O-N 3.18Å
1998	Y	31.1	Very low	31	Very low	82 Å²	82	93.1 Å²	93.1	32%	0.322	48%	0.475	S	S	.	.	H	α-helix	trans	-56.9	-26.8	175.5	-152.1	-75.2	0	0	0	113.2	Q1996 I2001 Y2002 Y2059 I2063	Q1996-Y1998 VanDerWaalsContact C-N 3.35Å; Y1998-I2001 PolarHBondContact O-N 2.94Å; Y1998-Y2002 PolarHBondContact O-N 2.91Å; Y1998-Y2059 AromaticContact CD1-CE1 3.72Å; Y1998-Y2059 HydrophobicContact CD1-CE1 3.72Å; Y1998-Y2059 HydrophobicContact CD2-CE1 4.35Å; Y1998-Y2059 HydrophobicContact CE1-CE1 4.25Å; Y1998-Y2059 AromaticContact CG-CE1 3.78Å; Y1998-Y2059 HydrophobicContact CG-CE1 3.78Å; Y1998-I2063 HydrophobicContact CE1-CD1 3.7Å
1999	Q	30.8	Very low	30.6	Very low	12 Å²	12	92.1 Å²	92.1	6%	0.056	47%	0.467	C	S	.	.	H	α-helix	trans	-88.4	-8.7	-179.3	-140.4	151.4	48.1	0	0	114.3	N1217 H1218 Q1996 S1997 N2003	N1217-Q1999 VanDerWaalsContact CB-NE2 3.3Å; N1217-Q1999 PolarHBondContact O-NE2 3.49Å; N1217-Q1999 PolarHBondContact O-OE1 2.97Å; N1217-Q1999 PolarHBondContact OD1-NE2 3.07Å; H1218-Q1999 PolarHBondContact CD2-OE1 3.47Å; Q1996-Q1999 HydrophobicContact CB-CB 3.94Å; Q1996-Q1999 VanDerWaalsContact CD-OE1 3.23Å; Q1996-Q1999 HydrophobicContact CG-CB 4.09Å; Q1996-Q1999 VanDerWaalsContact CG-OE1 3.26Å; S1997-Q1999 PolarHBondContact O-N 2.67Å; S1997-Q1999 VanDerWaalsContact O-N 3.13Å; Q1999-N2003 PolarHBondContact O-N 3.24Å; Q1999-N2003 VanDerWaalsContact O-N 3.16Å; Q1999-N2003 PolarHBondContact O-ND2 3.42Å
2000	Q	34.4	Very low	30.3	Very low	109 Å²	109	93.6 Å²	93.6	51%	0.509	48%	0.478	S	S	.	.	H	α-helix	trans	-96.2	-3.8	166.9	-163.9	151	-12.9	0	0	112.9	R1276 S1997	R1276-Q2000 VanDerWaalsContact NH1-NE2 3.11Å; S1997-Q2000 PolarHBondContact O-N 3.2Å; S1997-Q2000 VanDerWaalsContact O-N 3.07Å
2001	I	36.5	Very low	30.6	Very low	109 Å²	109	96.6 Å²	96.6	56%	0.559	49%	0.486	S	S	*	.	H	α-helix	trans	-74.4	-43.4	151	-64.8	175.9	0	0	0	109.4	S1997 Y1998 N2003 L2005	S1997-I2001 PolarHBondContact O-N 3.18Å; Y1998-I2001 PolarHBondContact O-N 2.94Å; I2001-N2003 PolarHBondContact O-N 3.39Å; I2001-L2005 HydrophobicContact CG2-CD1 4.36Å; I2001-L2005 WeakPolarHBondContact O-CD1 3.46Å; I2001-L2005 WeakPolarHBondContact O-CG 3.33Å
2002	Y	33.6	Very low	31.1	Very low	118 Å²	118	95.6 Å²	95.6	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-60.7	-41.2	-179.1	-168.1	-95.2	0	0	0	113.6	Y1998	Y1998-Y2002 PolarHBondContact O-N 2.91Å
2003	N	31.1	Very low	31.3	Very low	49 Å²	49	96.3 Å²	96.3	26%	0.262	49%	0.493	S	S	.	.	H	α-helix	trans	-99.6	-9.1	-172.1	-78.9	-64.3	0	0	0	117	Q1999 I2001 L2005 N2006	Q1999-N2003 PolarHBondContact O-N 3.24Å; Q1999-N2003 VanDerWaalsContact O-N 3.16Å; Q1999-N2003 PolarHBondContact O-ND2 3.42Å; I2001-N2003 PolarHBondContact O-N 3.39Å; N2003-L2005 PolarHBondContact O-N 3.45Å; N2003-N2006 PolarHBondContact OD1-ND2 2.92Å; N2003-N2006 VanDerWaalsContact OD1-ND2 3.15Å
2004	D	35.8	Very low	31.7	Very low	65 Å²	65	97.5 Å²	97.5	35%	0.348	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-4.2	159.6	-92.2	28.4	0	0	0	111.7	Q1274	Q1274-D2004 PolarHBondContact NE2-OD2 3.32Å; Q1274-D2004 PolarHBondContact OE1-OD2 2.77Å
2005	L	37.8	Very low	32.1	Very low	85 Å²	85	99.6 Å²	99.6	45%	0.445	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	5.7	179.5	-63.2	-179.7	0	0	0	113.7	I2001 N2003 E2007 L2014	I2001-L2005 HydrophobicContact CG2-CD1 4.36Å; I2001-L2005 WeakPolarHBondContact O-CD1 3.46Å; I2001-L2005 WeakPolarHBondContact O-CG 3.33Å; N2003-L2005 PolarHBondContact O-N 3.45Å; L2005-E2007 PolarHBondContact O-N 3.26Å; L2005-E2007 VanDerWaalsContact O-N 3.1Å; L2005-L2014 HydrophobicContact CB-CD2 4.16Å; L2005-L2014 HydrophobicContact CD1-CD1 3.82Å; L2005-L2014 HydrophobicContact CD1-CD2 4.17Å; L2005-L2014 HydrophobicContact CD1-CG 4.21Å; L2005-L2014 HydrophobicContact CD2-CD1 3.44Å; L2005-L2014 VanDerWaalsContact CD2-CD1 3.44Å; L2005-L2014 HydrophobicContact CD2-CD2 4.19Å; L2005-L2014 HydrophobicContact CD2-CG 4.39Å; L2005-L2014 HydrophobicContact CG-CD1 4.18Å; L2005-L2014 HydrophobicContact CG-CD2 4.4Å
2006	N	35.8	Very low	32.6	Very low	103 Å²	103	100.7 Å²	100.7	55%	0.551	50%	0.503	S	S	*	.	S	Bend	trans	-76.3	101.7	179.4	-151.7	10.2	0	0	0	110.4	N2003	N2003-N2006 PolarHBondContact OD1-ND2 2.92Å; N2003-N2006 VanDerWaalsContact OD1-ND2 3.15Å
2007	E	34	Very low	32.7	Very low	132 Å²	132	104.4 Å²	104.4	62%	0.617	52%	0.524	S	S	*	.	S	Bend	trans	42.5	68.8	168.4	-65.4	-156.7	96.6	0	0	118.5	L2005 N2009	L2005-E2007 PolarHBondContact O-N 3.26Å; L2005-E2007 VanDerWaalsContact O-N 3.1Å; E2007-N2009 PolarHBondContact OE1-ND2 2.78Å
2008	Y	32.3	Very low	32.9	Very low	228 Å²	228	101.9 Å²	101.9	89%	0.894	51%	0.505	S	S	*	.				-122	91.1	115.1	-100.5	-92.9	0	0	0	108.4	N2010	Y2008-N2010 PolarHBondContact O-N 2.77Å; Y2008-N2010 VanDerWaalsContact O-N 3.16Å
2009	N	27.1	Very low	33.1	Very low	79 Å²	79	100.2 Å²	100.2	42%	0.422	50%	0.501	S	S	.	.				40	52.4	77.5	-66	-26.8	0	0	0	113.1	E2007	E2007-N2009 PolarHBondContact OE1-ND2 2.78Å
2010	N	31.5	Very low	33.4	Very low	136 Å²	136	103 Å²	103	73%	0.727	51%	0.514	S	S	*	.				-159.8	112.9	92.1	-103.4	-90.4	0	0	0	112.9	Y2008	Y2008-N2010 PolarHBondContact O-N 2.77Å; Y2008-N2010 VanDerWaalsContact O-N 3.16Å
2011	H	29.6	Very low	33.4	Very low	138 Å²	138	98.2 Å²	98.2	64%	0.639	49%	0.491	S	S	*	.				26	115.5	122.3	-52.7	-71.1	0	0	0	116.2
2012	S	35.2	Very low	33.3	Very low	100 Å²	100	96.2 Å²	96.2	70%	0.699	48%	0.477	S	S	*	.	S	Bend	cis	-138.9	4.5	47.8	57.9	0	0	0	0	116.3	L2014	S2012-L2014 VanDerWaalsContact C-N 3.26Å; S2012-L2014 PolarHBondContact O-N 3.25Å; S2012-L2014 VanDerWaalsContact O-N 3.1Å
2013	L	29.3	Very low	33.6	Very low	155 Å²	155	91.3 Å²	91.3	81%	0.812	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	20	-164.3	-150.1	72.8	0	0	0	115.5
2014	L	29.9	Very low	34	Very low	95 Å²	95	93.9 Å²	93.9	50%	0.497	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-24.4	-164.8	-139.9	73	0	0	0	116.3	L2005 S2012 Q2016	L2005-L2014 HydrophobicContact CB-CD2 4.16Å; L2005-L2014 HydrophobicContact CD1-CD1 3.82Å; L2005-L2014 HydrophobicContact CD1-CD2 4.17Å; L2005-L2014 HydrophobicContact CD1-CG 4.21Å; L2005-L2014 HydrophobicContact CD2-CD1 3.44Å; L2005-L2014 VanDerWaalsContact CD2-CD1 3.44Å; L2005-L2014 HydrophobicContact CD2-CD2 4.19Å; L2005-L2014 HydrophobicContact CD2-CG 4.39Å; L2005-L2014 HydrophobicContact CG-CD1 4.18Å; L2005-L2014 HydrophobicContact CG-CD2 4.4Å; S2012-L2014 VanDerWaalsContact C-N 3.26Å; S2012-L2014 PolarHBondContact O-N 3.25Å; S2012-L2014 VanDerWaalsContact O-N 3.1Å; L2014-Q2016 PolarHBondContact O-N 3.09Å
2015	N	34.2	Very low	34.1	Very low	118 Å²	118	91.9 Å²	91.9	63%	0.631	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	21.6	-174	-61.8	26.1	0	0	0	113.1	D1704	D1704-N2015 VanDerWaalsContact O-O 3.12Å
2016	Q	34.6	Very low	34.2	Very low	84 Å²	84	88.6 Å²	88.6	39%	0.393	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	4.4	-164.8	-59.3	-143	-115.4	0	0	115.5	D1704 L2014	D1704-Q2016 HydrophobicContact CB-CG 4.07Å; D1704-Q2016 PolarHBondContact OD2-NE2 3.46Å; L2014-Q2016 PolarHBondContact O-N 3.09Å
2017	L	30.3	Very low	34.6	Very low	124 Å²	124	86.5 Å²	86.5	65%	0.649	43%	0.428	S	S	*	.			trans	-106.3	93.6	169.6	-74.5	169.4	0	0	0	108.3	I2019	L2017-I2019 WeakPolarHBondContact O-CD1 3.46Å; L2017-I2019 PolarHBondContact O-N 3.46Å
2018	N	35.2	Very low	34.9	Very low	19 Å²	19	84.3 Å²	84.3	10%	0.102	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-79	116.8	-178.8	-167.7	2.8	0	0	0	111.1	Y1706 F1707 N1708 E2020	Y1706-N2018 VanDerWaalsContact C-CB 3.43Å; Y1706-N2018 WeakPolarHBondContact O-CB 3.44Å; F1707-N2018 WeakPolarHBondContact CD1-ND2 3.29Å; F1707-N2018 WeakPolarHBondContact CD2-ND2 3.02Å; F1707-N2018 VanDerWaalsContact CG-ND2 3.33Å; F1707-N2018 WeakPolarHBondContact CG-ND2 3.17Å; N1708-N2018 WeakPolarHBondContact CB-O 3.42Å; N1708-N2018 PolarHBondContact ND2-N 3.4Å; N1708-N2018 PolarHBondContact ND2-O 2.03Å; N2018-E2020 PolarHBondContact ND2-OE2 3.18Å; N2018-E2020 PolarHBondContact OD1-N 2.67Å; N2018-E2020 PolarHBondContact OD1-OE2 2.91Å
2019	I	36.3	Very low	35.4	Very low	46 Å²	46	74.7 Å²	74.7	24%	0.236	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-32.2	-174.2	-63.6	105.8	0	0	0	112.4	L2017 D2021 Y2022 T2023 L2060 I2063	L2017-I2019 WeakPolarHBondContact O-CD1 3.46Å; L2017-I2019 PolarHBondContact O-N 3.46Å; I2019-D2021 PolarHBondContact O-N 3.39Å; I2019-Y2022 WeakPolarHBondContact O-CB 3.48Å; I2019-Y2022 PolarHBondContact O-N 2.83Å; I2019-T2023 PolarHBondContact O-N 3.12Å; I2019-T2023 VanDerWaalsContact O-N 3.1Å; I2019-T2023 PolarHBondContact O-OG1 3.32Å; I2019-L2060 HydrophobicContact CG2-CD2 4.26Å; I2019-L2060 WeakPolarHBondContact CG2-O 3.34Å; I2019-I2063 HydrophobicContact CD1-CB 4.23Å; I2019-I2063 HydrophobicContact CD1-CG2 3.77Å; I2019-I2063 HydrophobicContact CG1-CB 4.28Å; I2019-I2063 HydrophobicContact CG1-CD1 4.19Å; I2019-I2063 HydrophobicContact CG1-CG2 4.2Å; I2019-I2063 HydrophobicContact CG2-CB 4.12Å; I2019-I2063 HydrophobicContact CG2-CD1 3.97Å; I2019-I2063 HydrophobicContact CG2-CG1 4.18Å
2020	E	36.7	Very low	36.1	Very low	72 Å²	72	73 Å²	73	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-48.9	-26.1	-168.5	-67.7	178.5	95.8	0	0	115.4	F1707 N2018 T2023 Q2024	F1707-E2020 HydrophobicContact CD1-CB 3.95Å; F1707-E2020 HydrophobicContact CE1-CB 3.56Å; F1707-E2020 HydrophobicContact CE1-CG 4.17Å; F1707-E2020 VanDerWaalsContact CE1-OE2 3.22Å; F1707-E2020 WeakPolarHBondContact CE1-OE2 3.27Å; F1707-E2020 WeakPolarHBondContact CZ-OE2 3.3Å; N2018-E2020 PolarHBondContact ND2-OE2 3.18Å; N2018-E2020 PolarHBondContact OD1-N 2.67Å; N2018-E2020 PolarHBondContact OD1-OE2 2.91Å; E2020-T2023 WeakPolarHBondContact CA-OG1 3.15Å; E2020-T2023 WeakPolarHBondContact O-CB 3.27Å; E2020-Q2024 WeakPolarHBondContact O-CG 3.49Å; E2020-Q2024 PolarHBondContact O-N 2.96Å
2021	D	34.7	Very low	36.7	Very low	7 Å²	7	69.4 Å²	69.4	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-95.4	-28.2	-175.9	-106.6	16	0	0	0	114.2	F1707 N1708 L1709 I2019 Q2024 Y2025	F1707-D2021 HydrophobicContact CB-CB 4.4Å; F1707-D2021 VanDerWaalsContact CB-OD2 3.27Å; F1707-D2021 WeakPolarHBondContact CB-OD2 3.24Å; F1707-D2021 HydrophobicContact CD1-CB 4.27Å; F1707-D2021 WeakPolarHBondContact CD1-OD1 3.46Å; N1708-D2021 HydrophobicContact CB-CB 4.46Å; L1709-D2021 WeakPolarHBondContact CA-OD2 3.42Å; L1709-D2021 WeakPolarHBondContact CB-OD2 3.39Å; L1709-D2021 HydrophobicContact CD1-CB 4.41Å; L1709-D2021 WeakPolarHBondContact CD1-OD2 3.23Å; L1709-D2021 PolarHBondContact N-OD2 2.83Å; I2019-D2021 PolarHBondContact O-N 3.39Å; D2021-Q2024 PolarHBondContact O-N 2.92Å; D2021-Q2024 PolarHBondContact OD1-NE2 3.3Å; D2021-Y2025 WeakPolarHBondContact O-CB 3.22Å; D2021-Y2025 PolarHBondContact O-N 2.92Å
2022	Y	34.9	Very low	37.1	Very low	67 Å²	67	64.3 Å²	64.3	26%	0.263	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-34.6	162.4	-140.5	-54.1	0	0	0	108	H1710 I2019 Y2025 T2026 L2060	H1710-Y2022 AromaticContact CE1-CD2 3.6Å; H1710-Y2022 AromaticContact CE1-CE1 3.95Å; H1710-Y2022 AromaticContact CE1-CE2 3.27Å; H1710-Y2022 WeakPolarHBondContact CE1-CE2 3.42Å; H1710-Y2022 AromaticContact CE1-CZ 3.47Å; H1710-Y2022 VanDerWaalsContact CE1-CZ 3.47Å; H1710-Y2022 AromaticContact ND1-CE1 3.93Å; H1710-Y2022 AromaticContact ND1-CZ 3.93Å; H1710-Y2022 AromaticContact NE2-CD2 3.97Å; H1710-Y2022 AromaticContact NE2-CE2 3.9Å; I2019-Y2022 WeakPolarHBondContact O-CB 3.48Å; I2019-Y2022 PolarHBondContact O-N 2.83Å; Y2022-Y2025 PolarHBondContact O-N 2.89Å; Y2022-T2026 WeakPolarHBondContact O-CB 3.48Å; Y2022-T2026 PolarHBondContact O-N 2.59Å; Y2022-T2026 PolarHBondContact O-OG1 2.98Å; Y2022-L2060 HydrophobicContact CD1-CD1 3.49Å; Y2022-L2060 VanDerWaalsContact CD1-CD1 3.49Å; Y2022-L2060 HydrophobicContact CD1-CD2 4.24Å; Y2022-L2060 HydrophobicContact CE1-CD1 4.19Å; Y2022-L2060 HydrophobicContact CG-CD1 4.22Å; Y2022-L2060 HydrophobicContact CG-CD2 4.32Å; Y2022-L2060 WeakPolarHBondContact O-CD1 3.38Å
2023	T	38.6	Very low	37.4	Very low	15 Å²	15	61.1 Å²	61.1	9%	0.092	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-52.5	168.8	-32	0	0	0	0	112.1	I2019 E2020 Y2025 T2026 Q2027 L2060 I2061	I2019-T2023 PolarHBondContact O-N 3.12Å; I2019-T2023 VanDerWaalsContact O-N 3.1Å; I2019-T2023 PolarHBondContact O-OG1 3.32Å; E2020-T2023 WeakPolarHBondContact CA-OG1 3.15Å; E2020-T2023 WeakPolarHBondContact O-CB 3.27Å; T2023-Y2025 PolarHBondContact O-N 2.81Å; T2023-T2026 PolarHBondContact O-N 2.9Å; T2023-T2026 VanDerWaalsContact O-N 3.11Å; T2023-Q2027 VanDerWaalsContact O-CB 3.26Å; T2023-Q2027 WeakPolarHBondContact O-CB 3.06Å; T2023-Q2027 PolarHBondContact O-N 2.84Å; T2023-L2060 VanDerWaalsContact CG2-C 3.46Å; T2023-L2060 HydrophobicContact CG2-CB 4.08Å; T2023-L2060 WeakPolarHBondContact CG2-O 3.3Å; T2023-L2060 PolarHBondContact OG1-O 3.02Å; T2023-I2061 HydrophobicContact CG2-CB 4.22Å; T2023-I2061 HydrophobicContact CG2-CD1 4.44Å; T2023-I2061 HydrophobicContact CG2-CG1 3.32Å
2024	Q	40.7	Very low	37.8	Very low	104 Å²	104	55.9 Å²	55.9	49%	0.486	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-34.5	175.3	-77.2	-168.8	32.8	0	0	112.3	E2020 D2021 Q2027 M2028	E2020-Q2024 WeakPolarHBondContact O-CG 3.49Å; E2020-Q2024 PolarHBondContact O-N 2.96Å; D2021-Q2024 PolarHBondContact O-N 2.92Å; D2021-Q2024 PolarHBondContact OD1-NE2 3.3Å; Q2024-Q2027 WeakPolarHBondContact O-CB 3.34Å; Q2024-M2028 WeakPolarHBondContact O-CB 3.48Å; Q2024-M2028 VanDerWaalsContact O-CG 3.28Å; Q2024-M2028 WeakPolarHBondContact O-CG 3.41Å; Q2024-M2028 PolarHBondContact O-N 2.97Å
2025	Y	36.5	Very low	38.2	Very low	23 Å²	23	55.1 Å²	55.1	9%	0.09	27%	0.271	C	S	.	.	H	α-helix	trans	-71.4	-37	177.4	178.8	-119	0	0	0	113.8	G1646 V1647 H1710 I1711 P1712 D2021 Y2022 T2023 M2028 N2029	G1646-Y2025 PolarHBondContact O-OH 3.19Å; V1647-Y2025 HydrophobicContact CB-CE1 4.23Å; V1647-Y2025 HydrophobicContact CG1-CD1 4.1Å; V1647-Y2025 HydrophobicContact CG1-CD2 4.25Å; V1647-Y2025 HydrophobicContact CG1-CE1 3.63Å; V1647-Y2025 HydrophobicContact CG1-CE2 3.83Å; V1647-Y2025 HydrophobicContact CG1-CG 4.38Å; V1647-Y2025 VanDerWaalsContact CG1-CZ 3.49Å; V1647-Y2025 HydrophobicContact CG2-CE1 3.67Å; V1647-Y2025 WeakPolarHBondContact CG2-OH 3.25Å; H1710-Y2025 HydrophobicContact CB-CD1 3.56Å; H1710-Y2025 HydrophobicContact CB-CD2 3.78Å; H1710-Y2025 HydrophobicContact CB-CE1 4.33Å; H1710-Y2025 HydrophobicContact CB-CG 3.23Å; H1710-Y2025 AromaticContact ND1-CD1 3.91Å; H1710-Y2025 WeakPolarHBondContact O-CB 3.3Å; H1710-Y2025 WeakPolarHBondContact O-CD2 3.43Å; I1711-Y2025 VanDerWaalsContact C-CE2 3.41Å; P1712-Y2025 HydrophobicContact CB-CE2 3.78Å; P1712-Y2025 HydrophobicContact CG-CE2 4.28Å; P1712-Y2025 VanDerWaalsContact N-CE2 3.33Å; D2021-Y2025 WeakPolarHBondContact O-CB 3.22Å; D2021-Y2025 PolarHBondContact O-N 2.92Å; Y2022-Y2025 PolarHBondContact O-N 2.89Å; T2023-Y2025 PolarHBondContact O-N 2.81Å; Y2025-M2028 WeakPolarHBondContact O-CB 3.48Å; Y2025-M2028 PolarHBondContact O-N 3Å; Y2025-N2029 WeakPolarHBondContact CE1-ND2 3.42Å; Y2025-N2029 WeakPolarHBondContact CE2-ND2 3.33Å; Y2025-N2029 PolarHBondContact O-N 3.27Å; Y2025-N2029 PolarHBondContact O-ND2 3.1Å; Y2025-N2029 PolarHBondContact OH-ND2 3.31Å
2026	T	40.2	Very low	38.2	Very low	15 Å²	15	50.6 Å²	50.6	9%	0.092	25%	0.247	C	C	.	.	H	α-helix	trans	-84.6	-28.5	-177.2	-43.3	0	0	0	0	110.4	Y2022 T2023 Y2030 N2056 L2060	Y2022-T2026 WeakPolarHBondContact O-CB 3.48Å; Y2022-T2026 PolarHBondContact O-N 2.59Å; Y2022-T2026 PolarHBondContact O-OG1 2.98Å; T2023-T2026 PolarHBondContact O-N 2.9Å; T2023-T2026 VanDerWaalsContact O-N 3.11Å; T2026-Y2030 VanDerWaalsContact O-CB 3.23Å; T2026-Y2030 WeakPolarHBondContact O-CB 3.2Å; T2026-Y2030 PolarHBondContact O-N 3.38Å; T2026-N2056 VanDerWaalsContact CG2-C 3.42Å; T2026-N2056 HydrophobicContact CG2-CB 3.67Å; T2026-L2060 HydrophobicContact CG2-CD1 4.32Å; T2026-L2060 WeakPolarHBondContact OG1-CD1 3.49Å
2027	Q	44.6	Very low	38.4	Very low	59 Å²	59	48.8 Å²	48.8	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-54	-53.2	154.8	178.5	87.3	71.2	0	0	109.9	T2023 Q2024 N2029 Y2030 D2031 Y2057	T2023-Q2027 VanDerWaalsContact O-CB 3.26Å; T2023-Q2027 WeakPolarHBondContact O-CB 3.06Å; T2023-Q2027 PolarHBondContact O-N 2.84Å; Q2024-Q2027 WeakPolarHBondContact O-CB 3.34Å; Q2027-N2029 PolarHBondContact O-N 2.99Å; Q2027-Y2030 PolarHBondContact O-N 2.65Å; Q2027-Y2030 VanDerWaalsContact O-N 3.14Å; Q2027-D2031 WeakPolarHBondContact CG-OD2 3.12Å; Q2027-D2031 VanDerWaalsContact NE2-CG 3.29Å; Q2027-D2031 PolarHBondContact NE2-OD1 3.14Å; Q2027-D2031 PolarHBondContact NE2-OD2 3.42Å; Q2027-D2031 WeakPolarHBondContact O-CB 3.22Å; Q2027-D2031 VanDerWaalsContact O-CG 3.26Å; Q2027-D2031 PolarHBondContact O-N 3.16Å; Q2027-Y2057 HydrophobicContact CB-CD2 3.93Å; Q2027-Y2057 HydrophobicContact CB-CE2 3.62Å; Q2027-Y2057 VanDerWaalsContact CD-CE2 3.45Å; Q2027-Y2057 VanDerWaalsContact CD-OH 3.28Å; Q2027-Y2057 HydrophobicContact CG-CE2 4.14Å; Q2027-Y2057 PolarHBondContact NE2-OH 3.49Å; Q2027-Y2057 VanDerWaalsContact OE1-CZ 3.27Å; Q2027-Y2057 PolarHBondContact OE1-OH 3.13Å
2028	M	40.8	Very low	38.5	Very low	86 Å²	86	48 Å²	48	42%	0.424	24%	0.237	S	C	.	.	H	α-helix	trans	-57.7	-47.4	-179.9	-84.2	-171.2	83.2	0	0	111.5	P1712 Q2024 Y2025 Y2030 W2032	P1712-M2028 HydrophobicContact CG-CB 4.3Å; P1712-M2028 HydrophobicContact CG-CE 3.56Å; P1712-M2028 HydrophobicContact CG-SD 4.18Å; Q2024-M2028 WeakPolarHBondContact O-CB 3.48Å; Q2024-M2028 VanDerWaalsContact O-CG 3.28Å; Q2024-M2028 WeakPolarHBondContact O-CG 3.41Å; Q2024-M2028 PolarHBondContact O-N 2.97Å; Y2025-M2028 WeakPolarHBondContact O-CB 3.48Å; Y2025-M2028 PolarHBondContact O-N 3Å; M2028-Y2030 PolarHBondContact O-N 3.1Å; M2028-W2032 WeakPolarHBondContact O-CA 3.07Å; M2028-W2032 WeakPolarHBondContact O-CB 3.46Å; M2028-W2032 PolarHBondContact O-N 3.06Å
2029	N	41.8	Very low	38.5	Very low	26 Å²	26	48.2 Å²	48.2	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-65	-37.8	177	-71.4	-75.4	0	0	0	112.8	Y2025 Q2027 L2033 L2053	Y2025-N2029 WeakPolarHBondContact CE1-ND2 3.42Å; Y2025-N2029 WeakPolarHBondContact CE2-ND2 3.33Å; Y2025-N2029 PolarHBondContact O-N 3.27Å; Y2025-N2029 PolarHBondContact O-ND2 3.1Å; Y2025-N2029 PolarHBondContact OH-ND2 3.31Å; Q2027-N2029 PolarHBondContact O-N 2.99Å; N2029-L2033 WeakPolarHBondContact O-CB 3.49Å; N2029-L2033 PolarHBondContact O-N 3.38Å; N2029-L2053 HydrophobicContact CB-CD2 4.5Å
2030	Y	42.2	Very low	38.3	Very low	43 Å²	43	46.1 Å²	46.1	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-67.6	-48.9	177.5	178.8	-111.4	0	0	0	112.1	T2026 Q2027 M2028 W2032 L2033 N2034 L2053 L2054 Y2057	T2026-Y2030 VanDerWaalsContact O-CB 3.23Å; T2026-Y2030 WeakPolarHBondContact O-CB 3.2Å; T2026-Y2030 PolarHBondContact O-N 3.38Å; Q2027-Y2030 PolarHBondContact O-N 2.65Å; Q2027-Y2030 VanDerWaalsContact O-N 3.14Å; M2028-Y2030 PolarHBondContact O-N 3.1Å; Y2030-W2032 VanDerWaalsContact C-N 3.31Å; Y2030-W2032 PolarHBondContact O-N 3.12Å; Y2030-L2033 PolarHBondContact O-N 3.37Å; Y2030-N2034 VanDerWaalsContact CE1-ND2 3.27Å; Y2030-N2034 WeakPolarHBondContact CE1-ND2 3.37Å; Y2030-N2034 WeakPolarHBondContact CE2-ND2 3.34Å; Y2030-N2034 WeakPolarHBondContact O-CB 3.45Å; Y2030-N2034 PolarHBondContact O-N 3Å; Y2030-N2034 PolarHBondContact OH-ND2 2.89Å; Y2030-N2034 VanDerWaalsContact OH-ND2 3.07Å; Y2030-L2053 HydrophobicContact CD2-CB 3.88Å; Y2030-L2054 HydrophobicContact CD2-CG 4.27Å; Y2030-L2054 HydrophobicContact CE1-CD2 4.44Å; Y2030-L2054 HydrophobicContact CE1-CG 4.38Å; Y2030-L2054 HydrophobicContact CE2-CB 4.37Å; Y2030-L2054 HydrophobicContact CE2-CD1 4Å; Y2030-L2054 HydrophobicContact CE2-CD2 4.43Å; Y2030-L2054 HydrophobicContact CE2-CG 3.54Å; Y2030-L2054 WeakPolarHBondContact OH-CD1 3.48Å; Y2030-Y2057 HydrophobicContact CD1-CD1 4.03Å; Y2030-Y2057 HydrophobicContact CD1-CE1 4.22Å; Y2030-Y2057 HydrophobicContact CE1-CD1 4.49Å; Y2030-Y2057 HydrophobicContact CG-CD1 4.38Å
2031	D	43.4	Very low	38.2	Very low	62 Å²	62	46.2 Å²	46.2	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-35.7	176.5	-65.8	-3.8	0	0	0	111.4	Q2027 N2034 N2035	Q2027-D2031 WeakPolarHBondContact CG-OD2 3.12Å; Q2027-D2031 VanDerWaalsContact NE2-CG 3.29Å; Q2027-D2031 PolarHBondContact NE2-OD1 3.14Å; Q2027-D2031 PolarHBondContact NE2-OD2 3.42Å; Q2027-D2031 WeakPolarHBondContact O-CB 3.22Å; Q2027-D2031 VanDerWaalsContact O-CG 3.26Å; Q2027-D2031 PolarHBondContact O-N 3.16Å; D2031-N2034 PolarHBondContact O-N 3.25Å; D2031-N2035 WeakPolarHBondContact O-CB 3.39Å; D2031-N2035 PolarHBondContact O-N 2.65Å; D2031-N2035 PolarHBondContact O-ND2 3.38Å
2032	W	39.6	Very low	38.2	Very low	30 Å²	30	47.2 Å²	47.2	11%	0.114	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-45.6	174.7	178.2	103.2	0	0	0	110.8	Y1763 L1764 P1765 M2028 Y2030 N2035 L2036	Y1763-W2032 VanDerWaalsContact C-NE1 3.35Å; Y1763-W2032 HydrophobicContact CD1-CD2 4.46Å; Y1763-W2032 AromaticContact CD1-CE2 3.58Å; Y1763-W2032 AromaticContact CD1-CH2 3.8Å; Y1763-W2032 HydrophobicContact CD1-CH2 3.8Å; Y1763-W2032 AromaticContact CD1-CZ2 3.19Å; Y1763-W2032 HydrophobicContact CD1-CZ2 3.19Å; Y1763-W2032 AromaticContact CD1-NE1 3.99Å; Y1763-W2032 AromaticContact CD2-CZ2 3.82Å; Y1763-W2032 HydrophobicContact CD2-CZ2 3.82Å; Y1763-W2032 AromaticContact CE1-CE2 3.82Å; Y1763-W2032 AromaticContact CE1-CH2 3.11Å; Y1763-W2032 HydrophobicContact CE1-CH2 3.11Å; Y1763-W2032 AromaticContact CE1-CZ2 3Å; Y1763-W2032 HydrophobicContact CE1-CZ2 3Å; Y1763-W2032 AromaticContact CE1-CZ3 3.93Å; Y1763-W2032 HydrophobicContact CE1-CZ3 3.93Å; Y1763-W2032 HydrophobicContact CE2-CH2 4.09Å; Y1763-W2032 AromaticContact CE2-CZ2 3.64Å; Y1763-W2032 HydrophobicContact CE2-CZ2 3.64Å; Y1763-W2032 AromaticContact CG-CE2 3.97Å; Y1763-W2032 AromaticContact CG-CZ2 3.6Å; Y1763-W2032 HydrophobicContact CG-CZ2 3.6Å; Y1763-W2032 AromaticContact CZ-CH2 3.28Å; Y1763-W2032 AromaticContact CZ-CZ2 3.23Å; Y1763-W2032 PolarHBondContact O-NE1 3.25Å; Y1763-W2032 WeakPolarHBondContact OH-CH2 3.39Å; L1764-W2032 WeakPolarHBondContact O-CZ2 3.13Å; P1765-W2032 HydrophobicContact CB-CD2 3.82Å; P1765-W2032 HydrophobicContact CB-CE3 4.33Å; P1765-W2032 HydrophobicContact CB-CG 4.08Å; P1765-W2032 HydrophobicContact CB-CH2 4.49Å; P1765-W2032 HydrophobicContact CB-CZ2 4.07Å; P1765-W2032 WeakPolarHBondContact CB-O 3.07Å; P1765-W2032 HydrophobicContact CG-CG 4.45Å; M2028-W2032 WeakPolarHBondContact O-CA 3.07Å; M2028-W2032 WeakPolarHBondContact O-CB 3.46Å; M2028-W2032 PolarHBondContact O-N 3.06Å; Y2030-W2032 VanDerWaalsContact C-N 3.31Å; Y2030-W2032 PolarHBondContact O-N 3.12Å; W2032-N2035 PolarHBondContact O-N 3.16Å; W2032-L2036 HydrophobicContact CE3-CD1 4.3Å; W2032-L2036 HydrophobicContact CH2-CD1 3.9Å; W2032-L2036 HydrophobicContact CZ3-CD1 3.7Å; W2032-L2036 WeakPolarHBondContact O-CB 3.46Å; W2032-L2036 PolarHBondContact O-N 2.81Å
2033	L	40.2	Very low	37.9	Very low	34 Å²	34	46.5 Å²	46.5	18%	0.178	23%	0.231	C	C	.	.	H	α-helix	trans	-70.1	-35.1	173.8	-98.3	122.4	0	0	0	112.7	N2029 Y2030 L2036 Y2037 L2045 L2053	N2029-L2033 WeakPolarHBondContact O-CB 3.49Å; N2029-L2033 PolarHBondContact O-N 3.38Å; Y2030-L2033 PolarHBondContact O-N 3.37Å; L2033-L2036 HydrophobicContact CG-CD1 4.46Å; L2033-L2036 VanDerWaalsContact O-CB 3.23Å; L2033-L2036 WeakPolarHBondContact O-CB 3.43Å; L2033-L2036 PolarHBondContact O-N 2.9Å; L2033-Y2037 WeakPolarHBondContact O-CB 3.41Å; L2033-Y2037 PolarHBondContact O-N 3.4Å; L2033-L2045 HydrophobicContact CD2-CD1 4.46Å; L2033-L2053 HydrophobicContact CB-CD1 3.98Å; L2033-L2053 HydrophobicContact CD1-CD1 3.65Å; L2033-L2053 HydrophobicContact CD1-CD2 3.8Å; L2033-L2053 HydrophobicContact CD1-CG 4.38Å; L2033-L2053 HydrophobicContact CD2-CD1 3.78Å; L2033-L2053 HydrophobicContact CG-CD1 3.98Å
2034	N	38.7	Very low	37.5	Very low	44 Å²	44	48.4 Å²	48.4	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-38.8	172.5	-100.4	-34.3	0	0	0	112	Y2030 D2031 Y2037 V2038	Y2030-N2034 VanDerWaalsContact CE1-ND2 3.27Å; Y2030-N2034 WeakPolarHBondContact CE1-ND2 3.37Å; Y2030-N2034 WeakPolarHBondContact CE2-ND2 3.34Å; Y2030-N2034 WeakPolarHBondContact O-CB 3.45Å; Y2030-N2034 PolarHBondContact O-N 3Å; Y2030-N2034 PolarHBondContact OH-ND2 2.89Å; Y2030-N2034 VanDerWaalsContact OH-ND2 3.07Å; D2031-N2034 PolarHBondContact O-N 3.25Å; N2034-Y2037 PolarHBondContact O-N 2.66Å; N2034-V2038 WeakPolarHBondContact O-CB 3.15Å; N2034-V2038 VanDerWaalsContact O-CG2 3.32Å; N2034-V2038 WeakPolarHBondContact O-CG2 3.49Å; N2034-V2038 PolarHBondContact O-N 3.25Å
2035	N	38.3	Very low	37.1	Very low	79 Å²	79	45 Å²	45	42%	0.422	23%	0.225	S	C	.	.	H	α-helix	trans	-70.7	-31.7	172.5	-80.8	-81.1	0	0	0	112.3	D2031 W2032 Y2037 N2039	D2031-N2035 WeakPolarHBondContact O-CB 3.39Å; D2031-N2035 PolarHBondContact O-N 2.65Å; D2031-N2035 PolarHBondContact O-ND2 3.38Å; W2032-N2035 PolarHBondContact O-N 3.16Å; N2035-Y2037 VanDerWaalsContact C-N 3.26Å; N2035-Y2037 PolarHBondContact O-N 3.33Å; N2035-N2039 WeakPolarHBondContact O-CB 3.16Å; N2035-N2039 PolarHBondContact O-ND2 3.21Å
2036	L	34.8	Very low	37	Very low	24 Å²	24	45.6 Å²	45.6	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-42.8	167.6	-152.4	165	0	0	0	110.6	P1765 L1766 W2032 L2033 S2040	P1765-L2036 HydrophobicContact CB-CB 3.6Å; P1765-L2036 HydrophobicContact CB-CD1 3.83Å; P1765-L2036 HydrophobicContact CB-CG 3.68Å; P1765-L2036 WeakPolarHBondContact O-CD1 3.39Å; P1765-L2036 WeakPolarHBondContact O-CG 3.34Å; L1766-L2036 HydrophobicContact CD2-CB 4.35Å; L1766-L2036 HydrophobicContact CD2-CD2 4.09Å; L1766-L2036 HydrophobicContact CD2-CG 4.03Å; L1766-L2036 WeakPolarHBondContact CD2-O 3.39Å; W2032-L2036 HydrophobicContact CE3-CD1 4.3Å; W2032-L2036 HydrophobicContact CH2-CD1 3.9Å; W2032-L2036 HydrophobicContact CZ3-CD1 3.7Å; W2032-L2036 WeakPolarHBondContact O-CB 3.46Å; W2032-L2036 PolarHBondContact O-N 2.81Å; L2033-L2036 HydrophobicContact CG-CD1 4.46Å; L2033-L2036 VanDerWaalsContact O-CB 3.23Å; L2033-L2036 WeakPolarHBondContact O-CB 3.43Å; L2033-L2036 PolarHBondContact O-N 2.9Å; L2036-S2040 VanDerWaalsContact O-CB 3.25Å; L2036-S2040 WeakPolarHBondContact O-CB 3.46Å; L2036-S2040 PolarHBondContact O-OG 2.89Å
2037	Y	37.4	Very low	37	Very low	45 Å²	45	49.4 Å²	49.4	18%	0.176	25%	0.248	C	C	.	.	H	α-helix	trans	-80.7	-52.9	-169.5	-178.9	-128.9	0	0	0	112.8	L2033 N2034 N2035 N2039 S2040 I2042 L2044 L2045 I2050	L2033-Y2037 WeakPolarHBondContact O-CB 3.41Å; L2033-Y2037 PolarHBondContact O-N 3.4Å; N2034-Y2037 PolarHBondContact O-N 2.66Å; N2035-Y2037 VanDerWaalsContact C-N 3.26Å; N2035-Y2037 PolarHBondContact O-N 3.33Å; Y2037-N2039 PolarHBondContact O-N 2.77Å; Y2037-S2040 PolarHBondContact O-N 2.71Å; Y2037-S2040 PolarHBondContact O-OG 3.16Å; Y2037-I2042 HydrophobicContact CE2-CG2 4.12Å; Y2037-I2042 WeakPolarHBondContact CE2-O 3.35Å; Y2037-L2044 WeakPolarHBondContact OH-CA 3.37Å; Y2037-L2044 PolarHBondContact OH-N 2.93Å; Y2037-L2044 VanDerWaalsContact OH-N 3.07Å; Y2037-L2045 HydrophobicContact CD2-CB 4.16Å; Y2037-L2045 HydrophobicContact CD2-CD1 3.75Å; Y2037-L2045 HydrophobicContact CD2-CG 3.85Å; Y2037-L2045 HydrophobicContact CE2-CB 3.76Å; Y2037-L2045 HydrophobicContact CE2-CD1 4.23Å; Y2037-L2045 HydrophobicContact CE2-CG 3.94Å; Y2037-L2045 HydrophobicContact CG-CD1 4.02Å; Y2037-L2045 PolarHBondContact OH-N 3.31Å; Y2037-I2050 HydrophobicContact CD1-CD1 4.38Å; Y2037-I2050 HydrophobicContact CE1-CD1 3.65Å
2038	V	33.8	Very low	36.8	Very low	108 Å²	108	50.6 Å²	50.6	66%	0.655	25%	0.254	S	S	*	.	H	α-helix	trans	-63.6	-39.9	-177.8	171.7	0	0	0	0	112.6	N2034 S2040	N2034-V2038 WeakPolarHBondContact O-CB 3.15Å; N2034-V2038 VanDerWaalsContact O-CG2 3.32Å; N2034-V2038 WeakPolarHBondContact O-CG2 3.49Å; N2034-V2038 PolarHBondContact O-N 3.25Å; V2038-S2040 PolarHBondContact O-N 3.19Å
2039	N	34.2	Very low	36.7	Very low	24 Å²	24	50.7 Å²	50.7	13%	0.128	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.7	-174.8	-77	-77.5	0	0	0	114.6	L1766 K1819 N2035 Y2037	L1766-N2039 HydrophobicContact CD1-CB 3.88Å; K1819-N2039 HydrophobicContact CB-CB 4.13Å; K1819-N2039 VanDerWaalsContact CB-OD1 3.27Å; K1819-N2039 WeakPolarHBondContact CB-OD1 3.39Å; K1819-N2039 PolarHBondContact N-OD1 3.03Å; N2035-N2039 WeakPolarHBondContact O-CB 3.16Å; N2035-N2039 PolarHBondContact O-ND2 3.21Å; Y2037-N2039 PolarHBondContact O-N 2.77Å
2040	S	32.9	Very low	36.6	Very low	2 Å²	2	51 Å²	51	1%	0.014	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-15.7	-159.3	72.4	0	0	0	0	115.4	R1776 L2036 Y2037 V2038	R1776-S2040 WeakPolarHBondContact CD-O 3.31Å; R1776-S2040 PolarHBondContact NE-O 2.95Å; R1776-S2040 PolarHBondContact NH1-O 2.79Å; R1776-S2040 VanDerWaalsContact NH1-O 3.13Å; R1776-S2040 PolarHBondContact NH2-O 2.9Å; R1776-S2040 PolarHBondContact NH2-OG 3.21Å; L2036-S2040 VanDerWaalsContact O-CB 3.25Å; L2036-S2040 WeakPolarHBondContact O-CB 3.46Å; L2036-S2040 PolarHBondContact O-OG 2.89Å; Y2037-S2040 PolarHBondContact O-N 2.71Å; Y2037-S2040 PolarHBondContact O-OG 3.16Å; V2038-S2040 PolarHBondContact O-N 3.19Å
2041	R	33	Very low	36.5	Very low	73 Å²	73	51.2 Å²	51.2	28%	0.275	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	55.7	-177.2	-51.3	-177.5	-160.8	169.9	3.5	113.4	R1776 D1778 F1779 E1781	R1776-R2041 VanDerWaalsContact NH1-C 3.28Å; R1776-R2041 PolarHBondContact NH1-O 3.06Å; D1778-R2041 PolarHBondContact O-NH1 2.92Å; F1779-R2041 HydrophobicContact CB-CB 4.24Å; F1779-R2041 HydrophobicContact CB-CG 3.62Å; F1779-R2041 HydrophobicContact CD1-CB 3.79Å; F1779-R2041 HydrophobicContact CD1-CG 2.31Å; F1779-R2041 HydrophobicContact CD2-CB 2.67Å; F1779-R2041 HydrophobicContact CD2-CG 2.31Å; F1779-R2041 HydrophobicContact CE1-CB 3.86Å; F1779-R2041 HydrophobicContact CE1-CG 2.31Å; F1779-R2041 HydrophobicContact CE2-CB 2.78Å; F1779-R2041 HydrophobicContact CE2-CG 2.31Å; F1779-R2041 HydrophobicContact CG-CB 3.23Å; F1779-R2041 HydrophobicContact CG-CG 2.31Å; F1779-R2041 HydrophobicContact CZ-CB 3.41Å; F1779-R2041 VanDerWaalsContact CZ-CB 3.41Å; F1779-R2041 HydrophobicContact CZ-CG 2.31Å; E1781-R2041 IonicContact OE1-CZ 2.64Å; E1781-R2041 IonicContact OE1-NH2 2.87Å; E1781-R2041 PolarHBondContact OE1-NH2 2.95Å
2042	I	35.5	Very low	36.5	Very low	29 Å²	29	51.4 Å²	51.4	15%	0.149	26%	0.258	C	S	.	.			trans	-90.2	108.2	137.8	-85.8	154	0	0	0	101.4	R1776 L1974 Y2037	R1776-I2042 VanDerWaalsContact NH2-CD1 3.29Å; L1974-I2042 HydrophobicContact CD1-CD1 4.28Å; Y2037-I2042 HydrophobicContact CE2-CG2 4.12Å; Y2037-I2042 WeakPolarHBondContact CE2-O 3.35Å
2043	N	28.5	Very low	36.4	Very low	51 Å²	51	51.6 Å²	51.6	27%	0.273	26%	0.261	S	S	.	.	S	Bend	trans	-59.8	150.5	153.6	-68	9.5	0	0	0	106.1	R149 D237 Y239	R149-N2043 VanDerWaalsContact CD-O 3.31Å; R149-N2043 WeakPolarHBondContact CD-O 3.26Å; R149-N2043 PolarHBondContact NE-O 3.02Å; R149-N2043 PolarHBondContact NH1-O 3.31Å; D237-N2043 PolarHBondContact OD1-ND2 3.43Å; Y239-N2043 PolarHBondContact OH-ND2 3.09Å
2044	L	29.9	Very low	36.5	Very low	56 Å²	56	51.7 Å²	51.7	29%	0.293	26%	0.261	S	S	.	.			trans	25.2	94	-171.1	-64.3	90.5	0	0	0	116.1	R149 T235 Y2037	R149-L2044 PolarHBondContact NH1-O 3.27Å; T235-L2044 HydrophobicContact CG2-CB 3.49Å; T235-L2044 VanDerWaalsContact CG2-CB 3.49Å; T235-L2044 HydrophobicContact CG2-CD2 3.9Å; T235-L2044 HydrophobicContact CG2-CG 4.23Å; Y2037-L2044 WeakPolarHBondContact OH-CA 3.37Å; Y2037-L2044 PolarHBondContact OH-N 2.93Å; Y2037-L2044 VanDerWaalsContact OH-N 3.07Å
2045	L	32.2	Very low	36.7	Very low	31 Å²	31	50 Å²	50	16%	0.162	25%	0.252	C	S	.	.				-51.2	142.3	128.1	-93.3	170.5	0	0	0	106.4	L2033 Y2037 E2047 I2050	L2033-L2045 HydrophobicContact CD2-CD1 4.46Å; Y2037-L2045 HydrophobicContact CD2-CB 4.16Å; Y2037-L2045 HydrophobicContact CD2-CD1 3.75Å; Y2037-L2045 HydrophobicContact CD2-CG 3.85Å; Y2037-L2045 HydrophobicContact CE2-CB 3.76Å; Y2037-L2045 HydrophobicContact CE2-CD1 4.23Å; Y2037-L2045 HydrophobicContact CE2-CG 3.94Å; Y2037-L2045 HydrophobicContact CG-CD1 4.02Å; Y2037-L2045 PolarHBondContact OH-N 3.31Å; L2045-E2047 PolarHBondContact O-N 3.09Å; L2045-I2050 HydrophobicContact CB-CD1 4Å; L2045-I2050 HydrophobicContact CB-CG1 3.9Å; L2045-I2050 HydrophobicContact CD1-CG1 4.29Å
2046	P	34.7	Very low	36.8	Very low	36 Å²	36	50 Å²	50	23%	0.234	25%	0.252	C	S	.	.			trans	-42.4	128.3	163.9	-32.6	38.8	0	0	0	110.8	E232 L233 E2048 Y2049 I2050	E232-P2046 CarbonylContact O-C 3.56Å; E232-P2046 VanDerWaalsContact O-C 3.25Å; E232-P2046 WeakPolarHBondContact O-CA 2.99Å; E232-P2046 WeakPolarHBondContact O-CB 3.41Å; L233-P2046 HydrophobicContact CD2-CB 4.01Å; L233-P2046 HydrophobicContact CD2-CG 4.44Å; P2046-E2048 HydrophobicContact CB-CB 4.47Å; P2046-E2048 PolarHBondContact O-N 3.46Å; P2046-Y2049 WeakPolarHBondContact O-CA 3.3Å; P2046-Y2049 WeakPolarHBondContact O-CB 3.22Å; P2046-Y2049 PolarHBondContact O-N 2.04Å; P2046-I2050 PolarHBondContact O-N 2.95Å
2047	E	39.8	Very low	37	Very low	95 Å²	95	49.8 Å²	49.8	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-54.2	-36.3	173.1	-149.3	161.2	-152.8	0	0	108.7	E232 L2045 Y2049 I2050 Q2051	E232-E2047 HydrophobicContact CB-CB 3.93Å; E232-E2047 HydrophobicContact CG-CB 4.05Å; E232-E2047 PolarHBondContact O-N 3.41Å; L2045-E2047 PolarHBondContact O-N 3.09Å; E2047-Y2049 PolarHBondContact O-N 2.77Å; E2047-Y2049 VanDerWaalsContact O-N 3.1Å; E2047-I2050 PolarHBondContact O-N 3.05Å; E2047-I2050 VanDerWaalsContact O-N 3.16Å; E2047-Q2051 HydrophobicContact CG-CG 4.36Å; E2047-Q2051 WeakPolarHBondContact O-CA 3.44Å; E2047-Q2051 WeakPolarHBondContact O-CB 3.19Å; E2047-Q2051 WeakPolarHBondContact O-CG 3.35Å; E2047-Q2051 PolarHBondContact O-N 3.09Å
2048	E	40.6	Very low	37.1	Very low	84 Å²	84	50.5 Å²	50.5	39%	0.393	26%	0.257	S	S	.	.	H	α-helix	trans	-54.8	-31	173.8	-156.6	-178.3	-93.4	0	0	113.3	E232 L233 P2046 T2052	E232-E2048 HydrophobicContact CB-CB 4.09Å; E232-E2048 PolarHBondContact O-N 2.96Å; E232-E2048 VanDerWaalsContact O-N 3.08Å; L233-E2048 WeakPolarHBondContact CD1-OE1 3.27Å; L233-E2048 HydrophobicContact CD2-CB 4.04Å; L233-E2048 WeakPolarHBondContact CD2-OE2 3.34Å; L233-E2048 HydrophobicContact CG-CB 4.33Å; P2046-E2048 HydrophobicContact CB-CB 4.47Å; P2046-E2048 PolarHBondContact O-N 3.46Å; E2048-T2052 WeakPolarHBondContact O-CB 3.23Å; E2048-T2052 PolarHBondContact O-N 2.8Å; E2048-T2052 PolarHBondContact O-OG1 3.43Å
2049	Y	39.2	Very low	37.4	Very low	88 Å²	88	47.8 Å²	47.8	35%	0.345	24%	0.235	S	C	.	.	H	α-helix	trans	-83.9	-44.1	176.7	-115.2	-78.3	0	0	0	113.2	L1978 P2046 E2047 Q2051 T2052 L2053	L1978-Y2049 HydrophobicContact CD1-CE1 3.78Å; L1978-Y2049 HydrophobicContact CD1-CE2 4.43Å; L1978-Y2049 WeakPolarHBondContact CD1-OH 3.03Å; L1978-Y2049 HydrophobicContact CD2-CE1 3.57Å; L1978-Y2049 HydrophobicContact CG-CE1 4.31Å; P2046-Y2049 WeakPolarHBondContact O-CA 3.3Å; P2046-Y2049 WeakPolarHBondContact O-CB 3.22Å; P2046-Y2049 PolarHBondContact O-N 2.04Å; E2047-Y2049 PolarHBondContact O-N 2.77Å; E2047-Y2049 VanDerWaalsContact O-N 3.1Å; Y2049-Q2051 PolarHBondContact O-N 2.84Å; Y2049-T2052 PolarHBondContact O-N 3.14Å; Y2049-L2053 PolarHBondContact O-N 2.83Å
2050	I	40.2	Very low	37.4	Very low	34 Å²	34	47.1 Å²	47.1	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-43.5	172.8	-66.8	173	0	0	0	109.3	Y2037 L2045 P2046 E2047 L2054	Y2037-I2050 HydrophobicContact CD1-CD1 4.38Å; Y2037-I2050 HydrophobicContact CE1-CD1 3.65Å; L2045-I2050 HydrophobicContact CB-CD1 4Å; L2045-I2050 HydrophobicContact CB-CG1 3.9Å; L2045-I2050 HydrophobicContact CD1-CG1 4.29Å; P2046-I2050 PolarHBondContact O-N 2.95Å; E2047-I2050 PolarHBondContact O-N 3.05Å; E2047-I2050 VanDerWaalsContact O-N 3.16Å; I2050-L2054 HydrophobicContact CG2-CD1 4.23Å; I2050-L2054 PolarHBondContact O-N 3.34Å; I2050-L2054 VanDerWaalsContact O-N 3.08Å
2051	Q	40.2	Very low	37.6	Very low	46 Å²	46	49.7 Å²	49.7	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-58.3	-62.1	172.7	-70.6	-75.2	57.6	0	0	109.5	Q1222 E2047 Y2049 L2053 L2054 N2055	Q1222-Q2051 HydrophobicContact CB-CB 4Å; Q1222-Q2051 HydrophobicContact CB-CG 4.41Å; Q1222-Q2051 VanDerWaalsContact CD-C 3.4Å; Q1222-Q2051 VanDerWaalsContact CD-CA 3.48Å; Q1222-Q2051 VanDerWaalsContact CD-CB 3.42Å; Q1222-Q2051 HydrophobicContact CG-CB 4.02Å; Q1222-Q2051 HydrophobicContact CG-CG 4.3Å; Q1222-Q2051 VanDerWaalsContact NE2-CA 3.26Å; Q1222-Q2051 PolarHBondContact NE2-O 2.03Å; Q1222-Q2051 PolarHBondContact OE1-O 3.2Å; E2047-Q2051 HydrophobicContact CG-CG 4.36Å; E2047-Q2051 WeakPolarHBondContact O-CA 3.44Å; E2047-Q2051 WeakPolarHBondContact O-CB 3.19Å; E2047-Q2051 WeakPolarHBondContact O-CG 3.35Å; E2047-Q2051 PolarHBondContact O-N 3.09Å; Y2049-Q2051 PolarHBondContact O-N 2.84Å; Q2051-L2053 CarbonylContact O-C 3.51Å; Q2051-L2053 PolarHBondContact O-N 3.5Å; Q2051-L2054 CarbonylContact O-C 3.5Å; Q2051-L2054 VanDerWaalsContact O-CA 3.28Å; Q2051-L2054 WeakPolarHBondContact O-CA 3.43Å; Q2051-L2054 WeakPolarHBondContact O-CB 3.44Å; Q2051-L2054 PolarHBondContact O-N 3.42Å; Q2051-N2055 PolarHBondContact O-N 3.21Å
2052	T	42.6	Very low	37.7	Very low	67 Å²	67	49 Å²	49	41%	0.411	26%	0.26	S	S	.	.	H	α-helix	trans	-46.6	-32.5	-177.1	-65.6	0	0	0	0	114	E2048 Y2049 N2056	E2048-T2052 WeakPolarHBondContact O-CB 3.23Å; E2048-T2052 PolarHBondContact O-N 2.8Å; E2048-T2052 PolarHBondContact O-OG1 3.43Å; Y2049-T2052 PolarHBondContact O-N 3.14Å; T2052-N2056 PolarHBondContact O-ND2 3.26Å
2053	L	37.7	Very low	37.6	Very low	34 Å²	34	50.1 Å²	50.1	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-77.2	-46.2	171.6	-69.1	148.5	0	0	0	113.8	N2029 Y2030 L2033 Y2049 Q2051 N2055 N2056 Y2057	N2029-L2053 HydrophobicContact CB-CD2 4.5Å; Y2030-L2053 HydrophobicContact CD2-CB 3.88Å; L2033-L2053 HydrophobicContact CB-CD1 3.98Å; L2033-L2053 HydrophobicContact CD1-CD1 3.65Å; L2033-L2053 HydrophobicContact CD1-CD2 3.8Å; L2033-L2053 HydrophobicContact CD1-CG 4.38Å; L2033-L2053 HydrophobicContact CD2-CD1 3.78Å; L2033-L2053 HydrophobicContact CG-CD1 3.98Å; Y2049-L2053 PolarHBondContact O-N 2.83Å; Q2051-L2053 CarbonylContact O-C 3.51Å; Q2051-L2053 PolarHBondContact O-N 3.5Å; L2053-N2055 VanDerWaalsContact C-N 3.29Å; L2053-N2055 PolarHBondContact O-N 3.01Å; L2053-N2056 PolarHBondContact O-N 3.06Å; L2053-Y2057 WeakPolarHBondContact O-CB 3.22Å; L2053-Y2057 PolarHBondContact O-N 3.08Å
2054	L	42.8	Very low	37.6	Very low	36 Å²	36	53.5 Å²	53.5	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-54.5	-37.2	169.1	-99.2	157.4	0	0	0	113.3	Y2030 I2050 Q2051 Y2057 N2058	Y2030-L2054 HydrophobicContact CD2-CG 4.27Å; Y2030-L2054 HydrophobicContact CE1-CD2 4.44Å; Y2030-L2054 HydrophobicContact CE1-CG 4.38Å; Y2030-L2054 HydrophobicContact CE2-CB 4.37Å; Y2030-L2054 HydrophobicContact CE2-CD1 4Å; Y2030-L2054 HydrophobicContact CE2-CD2 4.43Å; Y2030-L2054 HydrophobicContact CE2-CG 3.54Å; Y2030-L2054 WeakPolarHBondContact OH-CD1 3.48Å; I2050-L2054 HydrophobicContact CG2-CD1 4.23Å; I2050-L2054 PolarHBondContact O-N 3.34Å; I2050-L2054 VanDerWaalsContact O-N 3.08Å; Q2051-L2054 CarbonylContact O-C 3.5Å; Q2051-L2054 VanDerWaalsContact O-CA 3.28Å; Q2051-L2054 WeakPolarHBondContact O-CA 3.43Å; Q2051-L2054 WeakPolarHBondContact O-CB 3.44Å; Q2051-L2054 PolarHBondContact O-N 3.42Å; L2054-Y2057 HydrophobicContact CD2-CD1 4.27Å; L2054-Y2057 PolarHBondContact O-N 3.33Å; L2054-N2058 WeakPolarHBondContact CD2-ND2 3.48Å; L2054-N2058 VanDerWaalsContact O-CB 3.27Å; L2054-N2058 WeakPolarHBondContact O-CB 3.17Å; L2054-N2058 VanDerWaalsContact O-CG 3.31Å; L2054-N2058 PolarHBondContact O-N 2.92Å; L2054-N2058 PolarHBondContact O-ND2 2.67Å
2055	N	42.9	Very low	37.4	Very low	8 Å²	8	55.6 Å²	55.6	4%	0.043	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-53.9	177.4	-112.1	-10.8	0	0	0	110.3	Q1220 P1221 Q1222 Q2051 L2053 Y2057 N2058 Y2059	Q1220-N2055 PolarHBondContact OE1-ND2 3.24Å; P1221-N2055 WeakPolarHBondContact CD-OD1 3.24Å; P1221-N2055 WeakPolarHBondContact CG-OD1 3.36Å; Q1222-N2055 WeakPolarHBondContact CG-OD1 3.26Å; Q1222-N2055 PolarHBondContact OE1-ND2 2.91Å; Q1222-N2055 PolarHBondContact OE1-OD1 3.13Å; Q2051-N2055 PolarHBondContact O-N 3.21Å; L2053-N2055 VanDerWaalsContact C-N 3.29Å; L2053-N2055 PolarHBondContact O-N 3.01Å; N2055-Y2057 PolarHBondContact O-N 3.21Å; N2055-N2058 PolarHBondContact O-N 3.1Å; N2055-Y2059 WeakPolarHBondContact O-CB 3.49Å; N2055-Y2059 PolarHBondContact O-N 2.77Å
2056	N	40.9	Very low	37.1	Very low	79 Å²	79	59.2 Å²	59.2	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-60.4	-37.3	-179.5	-75.1	-67.9	0	0	0	111.2	T2026 T2052 L2053 L2060	T2026-N2056 VanDerWaalsContact CG2-C 3.42Å; T2026-N2056 HydrophobicContact CG2-CB 3.67Å; T2052-N2056 PolarHBondContact O-ND2 3.26Å; L2053-N2056 PolarHBondContact O-N 3.06Å; N2056-L2060 WeakPolarHBondContact O-CD1 3.29Å; N2056-L2060 WeakPolarHBondContact O-CG 3.37Å
2057	Y	38.9	Very low	36.8	Very low	19 Å²	19	62.9 Å²	62.9	8%	0.075	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-52.1	176.1	166.7	-125	0	0	0	113.1	Q2027 Y2030 L2053 L2054 N2055 Y2059 L2060 I2061	Q2027-Y2057 HydrophobicContact CB-CD2 3.93Å; Q2027-Y2057 HydrophobicContact CB-CE2 3.62Å; Q2027-Y2057 VanDerWaalsContact CD-CE2 3.45Å; Q2027-Y2057 VanDerWaalsContact CD-OH 3.28Å; Q2027-Y2057 HydrophobicContact CG-CE2 4.14Å; Q2027-Y2057 PolarHBondContact NE2-OH 3.49Å; Q2027-Y2057 VanDerWaalsContact OE1-CZ 3.27Å; Q2027-Y2057 PolarHBondContact OE1-OH 3.13Å; Y2030-Y2057 HydrophobicContact CD1-CD1 4.03Å; Y2030-Y2057 HydrophobicContact CD1-CE1 4.22Å; Y2030-Y2057 HydrophobicContact CE1-CD1 4.49Å; Y2030-Y2057 HydrophobicContact CG-CD1 4.38Å; L2053-Y2057 WeakPolarHBondContact O-CB 3.22Å; L2053-Y2057 PolarHBondContact O-N 3.08Å; L2054-Y2057 HydrophobicContact CD2-CD1 4.27Å; L2054-Y2057 PolarHBondContact O-N 3.33Å; N2055-Y2057 PolarHBondContact O-N 3.21Å; Y2057-Y2059 VanDerWaalsContact C-N 3.33Å; Y2057-Y2059 PolarHBondContact O-N 3.3Å; Y2057-L2060 PolarHBondContact O-N 2.78Å; Y2057-L2060 VanDerWaalsContact O-N 3.13Å; Y2057-I2061 HydrophobicContact CD2-CD1 4.26Å; Y2057-I2061 HydrophobicContact CE1-CD1 4.18Å; Y2057-I2061 HydrophobicContact CE2-CD1 3.48Å; Y2057-I2061 VanDerWaalsContact CE2-CD1 3.48Å; Y2057-I2061 HydrophobicContact CE2-CG1 4.09Å; Y2057-I2061 VanDerWaalsContact CZ-CD1 3.44Å; Y2057-I2061 PolarHBondContact O-N 3.49Å; Y2057-I2061 WeakPolarHBondContact OH-CD1 3.3Å
2058	N	39.4	Very low	36.2	Very low	61 Å²	61	65.4 Å²	65.4	33%	0.326	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-36	-180	-74	-41.7	0	0	0	112.3	L2054 N2055 L2060 I2061 G2062	L2054-N2058 WeakPolarHBondContact CD2-ND2 3.48Å; L2054-N2058 VanDerWaalsContact O-CB 3.27Å; L2054-N2058 WeakPolarHBondContact O-CB 3.17Å; L2054-N2058 VanDerWaalsContact O-CG 3.31Å; L2054-N2058 PolarHBondContact O-N 2.92Å; L2054-N2058 PolarHBondContact O-ND2 2.67Å; N2055-N2058 PolarHBondContact O-N 3.1Å; N2058-L2060 PolarHBondContact O-N 3.27Å; N2058-L2060 VanDerWaalsContact O-N 3.1Å; N2058-I2061 PolarHBondContact O-N 3.11Å; N2058-I2061 VanDerWaalsContact O-N 3.16Å; N2058-G2062 PolarHBondContact O-N 3.12Å
2059	Y	39.1	Very low	35.4	Very low	50 Å²	50	70.6 Å²	70.6	20%	0.196	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-18.2	175.9	-166.5	-104.1	0	0	0	113.1	Q1220 Y1998 N2055 Y2057	Q1220-Y2059 HydrophobicContact CG-CD2 3.94Å; Q1220-Y2059 HydrophobicContact CG-CE2 4.33Å; Q1220-Y2059 VanDerWaalsContact NE2-CD2 3.26Å; Q1220-Y2059 VanDerWaalsContact NE2-CG 3.34Å; Y1998-Y2059 AromaticContact CD1-CE1 3.72Å; Y1998-Y2059 HydrophobicContact CD1-CE1 3.72Å; Y1998-Y2059 HydrophobicContact CD2-CE1 4.35Å; Y1998-Y2059 HydrophobicContact CE1-CE1 4.25Å; Y1998-Y2059 AromaticContact CG-CE1 3.78Å; Y1998-Y2059 HydrophobicContact CG-CE1 3.78Å; N2055-Y2059 WeakPolarHBondContact O-CB 3.49Å; N2055-Y2059 PolarHBondContact O-N 2.77Å; Y2057-Y2059 VanDerWaalsContact C-N 3.33Å; Y2057-Y2059 PolarHBondContact O-N 3.3Å
2060	L	34.1	Very low	34.9	Very low	10 Å²	10	72.9 Å²	72.9	5%	0.052	41%	0.406	C	S	.	.	H	α-helix	trans	-106.3	-15.1	178.3	-65.2	167.8	0	0	0	113.6	I2019 Y2022 T2023 T2026 N2056 Y2057 N2058	I2019-L2060 HydrophobicContact CG2-CD2 4.26Å; I2019-L2060 WeakPolarHBondContact CG2-O 3.34Å; Y2022-L2060 HydrophobicContact CD1-CD1 3.49Å; Y2022-L2060 VanDerWaalsContact CD1-CD1 3.49Å; Y2022-L2060 HydrophobicContact CD1-CD2 4.24Å; Y2022-L2060 HydrophobicContact CE1-CD1 4.19Å; Y2022-L2060 HydrophobicContact CG-CD1 4.22Å; Y2022-L2060 HydrophobicContact CG-CD2 4.32Å; Y2022-L2060 WeakPolarHBondContact O-CD1 3.38Å; T2023-L2060 VanDerWaalsContact CG2-C 3.46Å; T2023-L2060 HydrophobicContact CG2-CB 4.08Å; T2023-L2060 WeakPolarHBondContact CG2-O 3.3Å; T2023-L2060 PolarHBondContact OG1-O 3.02Å; T2026-L2060 HydrophobicContact CG2-CD1 4.32Å; T2026-L2060 WeakPolarHBondContact OG1-CD1 3.49Å; N2056-L2060 WeakPolarHBondContact O-CD1 3.29Å; N2056-L2060 WeakPolarHBondContact O-CG 3.37Å; Y2057-L2060 PolarHBondContact O-N 2.78Å; Y2057-L2060 VanDerWaalsContact O-N 3.13Å; N2058-L2060 PolarHBondContact O-N 3.27Å; N2058-L2060 VanDerWaalsContact O-N 3.1Å
2061	I	38.6	Very low	34.3	Very low	56 Å²	56	76.1 Å²	76.1	29%	0.287	43%	0.428	S	S	.	.	H	α-helix	trans	-75.2	-40.8	164.8	-72.2	-178.1	0	0	0	110.1	T2023 Y2057 N2058 I2063 N2064	T2023-I2061 HydrophobicContact CG2-CB 4.22Å; T2023-I2061 HydrophobicContact CG2-CD1 4.44Å; T2023-I2061 HydrophobicContact CG2-CG1 3.32Å; Y2057-I2061 HydrophobicContact CD2-CD1 4.26Å; Y2057-I2061 HydrophobicContact CE1-CD1 4.18Å; Y2057-I2061 HydrophobicContact CE2-CD1 3.48Å; Y2057-I2061 VanDerWaalsContact CE2-CD1 3.48Å; Y2057-I2061 HydrophobicContact CE2-CG1 4.09Å; Y2057-I2061 VanDerWaalsContact CZ-CD1 3.44Å; Y2057-I2061 PolarHBondContact O-N 3.49Å; Y2057-I2061 WeakPolarHBondContact OH-CD1 3.3Å; N2058-I2061 PolarHBondContact O-N 3.11Å; N2058-I2061 VanDerWaalsContact O-N 3.16Å; I2061-I2063 PolarHBondContact O-N 2.62Å; I2061-N2064 PolarHBondContact O-N 2.73Å
2062	G	33.6	Very low	33.6	Very low	59 Å²	59	79.7 Å²	79.7	61%	0.608	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.9	-170.1	0	0	0	0	0	116.8	N2058 N2064	N2058-G2062 PolarHBondContact O-N 3.12Å; G2062-N2064 VanDerWaalsContact C-N 3.29Å
2063	I	33.1	Very low	32.7	Very low	52 Å²	52	83.8 Å²	83.8	27%	0.267	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-8.9	177.7	-36.2	-170.8	0	0	0	111.5	Y1998 I2019 I2061 T2065	Y1998-I2063 HydrophobicContact CE1-CD1 3.7Å; I2019-I2063 HydrophobicContact CD1-CB 4.23Å; I2019-I2063 HydrophobicContact CD1-CG2 3.77Å; I2019-I2063 HydrophobicContact CG1-CB 4.28Å; I2019-I2063 HydrophobicContact CG1-CD1 4.19Å; I2019-I2063 HydrophobicContact CG1-CG2 4.2Å; I2019-I2063 HydrophobicContact CG2-CB 4.12Å; I2019-I2063 HydrophobicContact CG2-CD1 3.97Å; I2019-I2063 HydrophobicContact CG2-CG1 4.18Å; I2061-I2063 PolarHBondContact O-N 2.62Å; I2063-T2065 PolarHBondContact O-N 3.01Å
2064	N	29.7	Very low	32.2	Very low	123 Å²	123	86.7 Å²	86.7	66%	0.658	49%	0.491	S	S	*	.	S	Bend	trans	-83.8	104.5	158.5	-101.8	-26	0	0	0	109.8	I2061 G2062	I2061-N2064 PolarHBondContact O-N 2.73Å; G2062-N2064 VanDerWaalsContact C-N 3.29Å
2065	T	26	Very low	31.4	Very low	100 Å²	100	90.8 Å²	90.8	61%	0.613	52%	0.518	S	S	*	.			trans	-50	145.2	172.2	48.8	0	0	0	0	113	I2063 T2067	I2063-T2065 PolarHBondContact O-N 3.01Å; T2065-T2067 PolarHBondContact O-N 3.37Å
2066	T	25.3	Very low	30.6	Very low	107 Å²	107	97.1 Å²	97.1	66%	0.656	55%	0.552	S	S	*	*			trans	-61.9	98.5	148.3	31.2	0	0	0	0	109.2	D2068	T2066-D2068 PolarHBondContact O-N 2.68Å
2067	T	27.7	Very low	29.9	Very low	112 Å²	112	98.9 Å²	98.9	69%	0.687	56%	0.561	S	S	*	*			trans	-65.4	114.1	160.1	47.3	0	0	0	0	108.7	T2065	T2065-T2067 PolarHBondContact O-N 3.37Å
2068	D	27.7	Very low	29.2	Very low	148 Å²	148	103.2 Å²	103.2	79%	0.791	59%	0.59	S	S	*	*			trans	64.9	124.5	157.3	-61.8	-54.7	0	0	0	120.7	T2066	T2066-D2068 PolarHBondContact O-N 2.68Å
2069	K	24.5	Very low	28.7	Very low	193 Å²	193	106.4 Å²	106.4	84%	0.839	61%	0.612	S	S	*	*			trans	-55.4	128.9	155.6	-58.8	158.2	179.5	170.9	0	109.4	T2071	K2069-T2071 WeakPolarHBondContact O-CG2 3.36Å
2070	T	28.3	Very low	28	Very low	136 Å²	136	110.3 Å²	110.3	83%	0.834	64%	0.636	S	S	*	*			trans	-96.5	82.9	154.7	43.5	0	0	0	0	108.8
2071	T	26.5	Very low	27.5	Very low	103 Å²	103	115 Å²	115	63%	0.632	67%	0.665	S	S	*	*				74	100	91.8	58.4	0	0	0	0	115.1	K2069	K2069-T2071 WeakPolarHBondContact O-CG2 3.36Å
2072	T	25.6	Very low	27	Very low	120 Å²	120	118.6 Å²	118.6	74%	0.736	69%	0.69	S	S	*	*			trans	55.8	116.7	135.6	60.2	0	0	0	0	120.5
2073	N	24.6	Very low	26.8	Very low	154 Å²	154	121.2 Å²	121.2	82%	0.824	69%	0.694	S	S	*	*				-95.4	123.4	119.1	-86	-36	0	0	0	107.2
2074	T	27.9	Very low	26.5	Very low	95 Å²	95	125.1 Å²	125.1	58%	0.583	72%	0.716	S	S	*	*				61.2	87.7	76.2	65.8	0	0	0	0	111.3
2075	T	25.2	Very low	26.5	Very low	122 Å²	122	124.8 Å²	124.8	75%	0.748	71%	0.714	S	S	*	*				66	107.1	89.1	58.7	0	0	0	0	114.4
2076	D	25.8	Very low	26.6	Very low	141 Å²	141	124.9 Å²	124.9	75%	0.754	72%	0.715	S	S	*	*				-179.3	147.3	129.1	-103.6	19.8	0	0	0	111.5
2077	N	25.7	Very low	26.5	Very low	115 Å²	115	125.3 Å²	125.3	62%	0.615	72%	0.717	S	S	*	*			cis	-150.8	161.3	-13.1	-145.4	-40.4	0	0	0	112.4
2078	T	24.5	Very low	26.3	Very low	110 Å²	110	125.5 Å²	125.5	68%	0.675	72%	0.718	S	S	*	*			trans	-20	145.8	171.1	46.3	0	0	0	0	121.6
2079	T	28.6	Very low	26.2	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	71%	0.713	S	S	*	*				176.3	148.9	126.2	27.4	0	0	0	0	109.8
2080	N	25.1	Very low	26.4	Very low	131 Å²	131	120.5 Å²	120.5	70%	0.701	71%	0.705	S	S	*	*			cis	-154.4	156.4	-22.2	-132.6	-3	0	0	0	111.6
2081	T	24.3	Very low	26.1	Very low	108 Å²	108	119.5 Å²	119.5	66%	0.663	70%	0.699	S	S	*	*			trans	1.9	164.2	155	54.1	0	0	0	0	124.2
2082	T	26.9	Very low	26	Very low	133 Å²	133	121.1 Å²	121.1	82%	0.816	70%	0.704	S	S	*	*			trans	81	139.6	170.9	75.1	0	0	0	0	115.3
2083	T	29.9	Very low	26	Very low	114 Å²	114	120.2 Å²	120.2	70%	0.699	70%	0.698	S	S	*	*			cis	-127.3	157.3	7.2	47.5	0	0	0	0	112.9
2084	D	27.9	Very low	26	Very low	133 Å²	133	118.2 Å²	118.2	71%	0.711	69%	0.691	S	S	*	*			trans	68.1	146.1	154.1	-65.8	12.9	0	0	0	119.2
2085	N	28.9	Very low	25.9	Very low	116 Å²	116	118.9 Å²	118.9	62%	0.62	70%	0.696	S	S	*	*			cis	-155.6	133.9	-13.1	-114.7	-22.9	0	0	0	114.4
2086	T	26.9	Very low	25.8	Very low	103 Å²	103	119.9 Å²	119.9	63%	0.632	70%	0.696	S	S	*	*			trans	38.8	137.6	132.2	61.7	0	0	0	0	124.9
2087	T	23.4	Very low	25.9	Very low	116 Å²	116	119.3 Å²	119.3	71%	0.712	70%	0.698	S	S	*	*			trans	72.7	135.5	131.8	52.5	0	0	0	0	123.7
2088	T	23.8	Very low	25.8	Very low	116 Å²	116	119.2 Å²	119.2	71%	0.712	70%	0.702	S	S	*	*			trans	63.4	141.5	150.1	56.5	0	0	0	0	118
2089	N	26.6	Very low	25.8	Very low	125 Å²	125	120.1 Å²	120.1	67%	0.668	70%	0.703	S	S	*	*			cis	-151.4	151.3	-6.9	-96.2	-11.7	0	0	0	106
2090	T	27.2	Very low	25.6	Very low	110 Å²	110	120.1 Å²	120.1	68%	0.675	70%	0.698	S	S	*	*				52	148.5	64.1	63.5	0	0	0	0	115.6
2091	T	23.7	Very low	25.6	Very low	115 Å²	115	120 Å²	120	71%	0.706	70%	0.702	S	S	*	*			trans	66.1	142.5	175.8	77.1	0	0	0	0	117.4
2092	D	23.8	Very low	25.7	Very low	138 Å²	138	120.5 Å²	120.5	74%	0.738	71%	0.705	S	S	*	*			cis	-161.5	167.2	-17.2	-112.6	-24.8	0	0	0	115.6
2093	T	25.6	Very low	25.8	Very low	100 Å²	100	119.1 Å²	119.1	61%	0.613	70%	0.696	S	S	*	*			trans	-0.1	134.3	151.8	66.7	0	0	0	0	122.7
2094	T	24.9	Very low	25.5	Very low	112 Å²	112	120.2 Å²	120.2	69%	0.687	70%	0.698	S	S	*	*				70	153	124.2	62.5	0	0	0	0	124.5
2095	T	24.5	Very low	25.6	Very low	110 Å²	110	119.2 Å²	119.2	68%	0.675	70%	0.697	S	S	*	*			trans	74.5	126.3	144.2	39.4	0	0	0	0	121.6
2096	N	24.1	Very low	25.7	Very low	142 Å²	142	118.8 Å²	118.8	76%	0.759	70%	0.699	S	S	*	*				33.4	113.7	126.9	-49.7	-7.7	0	0	0	119.1
2097	T	27.3	Very low	25.8	Very low	129 Å²	129	120.3 Å²	120.3	79%	0.791	70%	0.703	S	S	*	*				-179.5	117.4	116.2	27	0	0	0	0	106.5
2098	T	24.7	Very low	26	Very low	113 Å²	113	119.5 Å²	119.5	69%	0.693	70%	0.698	S	S	*	*				51.9	121.7	84.9	66.5	0	0	0	0	115
2099	D	23.6	Very low	26.2	Very low	129 Å²	129	119.3 Å²	119.3	69%	0.69	70%	0.697	S	S	*	*			trans	81.8	103.1	131	-71.8	29.9	0	0	0	121.4
2100	N	24.4	Very low	26.4	Very low	129 Å²	129	118.3 Å²	118.3	69%	0.69	70%	0.695	S	S	*	*				89.6	152	118.3	-69.3	-38.4	0	0	0	120.7
2101	T	24.6	Very low	26.4	Very low	129 Å²	129	119.5 Å²	119.5	79%	0.791	70%	0.698	S	S	*	*			trans	66.7	137.9	172.8	68.4	0	0	0	0	115.1
2102	T	26.3	Very low	26.7	Very low	119 Å²	119	118.8 Å²	118.8	73%	0.73	69%	0.693	S	S	*	*			cis	-163.3	158.3	-9.3	14.4	0	0	0	0	105.4
2103	T	29.6	Very low	27.2	Very low	103 Å²	103	117.6 Å²	117.6	63%	0.632	69%	0.691	S	S	*	*			cis	-161.3	156.7	13.7	1.9	0	0	0	0	107.3
2104	N	24.7	Very low	27.5	Very low	138 Å²	138	118.7 Å²	118.7	74%	0.738	69%	0.693	S	S	*	*			trans	42.5	144	136.5	-52.8	-4.7	0	0	0	120.6
2105	T	29.2	Very low	27.8	Very low	112 Å²	112	118.4 Å²	118.4	69%	0.687	69%	0.692	S	S	*	*			cis	-163.4	155.3	26.2	-18.4	0	0	0	0	110.2
2106	T	30.1	Very low	28.2	Very low	107 Å²	107	118.1 Å²	118.1	66%	0.656	69%	0.69	S	S	*	*			trans	35.4	142.3	143.7	57.1	0	0	0	0	121.3
2107	D	29	Very low	28.5	Very low	134 Å²	134	115.6 Å²	115.6	72%	0.717	68%	0.68	S	S	*	*			cis	-177.2	167	5.9	-100.3	-7.2	0	0	0	106
2108	T	29.3	Very low	28.7	Very low	99 Å²	99	113.9 Å²	113.9	61%	0.607	67%	0.669	S	S	*	*			cis	-167.2	159.8	-7.5	28	0	0	0	0	108.2
2109	T	27.3	Very low	28.9	Very low	113 Å²	113	114.1 Å²	114.1	69%	0.693	67%	0.666	S	S	*	*			trans	38.1	140.5	138.7	69.8	0	0	0	0	121.2
2110	T	30.1	Very low	29.3	Very low	103 Å²	103	114.5 Å²	114.5	63%	0.632	67%	0.667	S	S	*	*			cis	-179.7	157.8	10.3	18.8	0	0	0	0	109.5
2111	N	27.8	Very low	29.4	Very low	135 Å²	135	112.2 Å²	112.2	72%	0.722	66%	0.658	S	S	*	*			trans	63.2	148	139.9	-64	-7	0	0	0	119.5
2112	T	30.2	Very low	29.5	Very low	101 Å²	101	111.1 Å²	111.1	62%	0.62	65%	0.647	S	S	*	*			cis	-169.2	152.4	-7.7	20.1	0	0	0	0	108.5
2113	T	33.7	Very low	29.6	Very low	113 Å²	113	111.5 Å²	111.5	69%	0.693	65%	0.645	S	S	*	*			trans	61	153.6	148.8	57.6	0	0	0	0	118.6
2114	D	31.7	Very low	29.4	Very low	123 Å²	123	111.8 Å²	111.8	66%	0.658	65%	0.646	S	S	*	*			cis	-154	125.9	-14.9	-110.1	-22.3	0	0	0	106.9
2115	T	32.7	Very low	29.5	Very low	106 Å²	106	110.7 Å²	110.7	65%	0.65	65%	0.645	S	S	*	*				54.2	137.8	90.6	76.8	0	0	0	0	116.2
2116	T	31.2	Very low	29.4	Very low	103 Å²	103	110.9 Å²	110.9	63%	0.632	65%	0.646	S	S	*	*			cis	-176.6	169.4	-20.6	38.8	0	0	0	0	108
2117	T	31.4	Very low	29.3	Very low	90 Å²	90	112.5 Å²	112.5	55%	0.552	65%	0.651	S	S	*	*			trans	62.9	153.8	139	50.2	0	0	0	0	120.7
2118	T	31.4	Very low	29.2	Very low	93 Å²	93	110 Å²	110	57%	0.571	65%	0.648	S	S	*	*			cis	-153.5	153.7	1.8	9.8	0	0	0	0	107.2
2119	N	29.6	Very low	29	Very low	118 Å²	118	110.9 Å²	110.9	63%	0.631	65%	0.654	S	S	*	*				54.3	149.2	82.9	-41.1	32.4	0	0	0	112.9
2120	I	30.3	Very low	29	Very low	136 Å²	136	111.2 Å²	111.2	70%	0.697	65%	0.651	S	S	*	*				-171.1	133	62.3	-77.4	-176.9	0	0	0	109.4
2121	T	27.8	Very low	28.9	Very low	82 Å²	82	112.6 Å²	112.6	50%	0.503	66%	0.655	S	S	.	*			trans	27.8	179.7	139.2	87.8	0	0	0	0	122.5	I1660	I1660-T2121 HydrophobicContact CG2-CG2 3.75Å
2122	D	26.8	Very low	29.2	Very low	106 Å²	106	112 Å²	112	57%	0.567	66%	0.656	S	S	*	*			cis	-162.2	160.3	1.9	-124.6	-36.8	0	0	0	113.6
2123	N	27.4	Very low	29.3	Very low	127 Å²	127	112.2 Å²	112.2	68%	0.679	66%	0.658	S	S	*	*			trans	32.1	128.3	140.4	-79.5	-44.9	0	0	0	126.5
2124	T	26.2	Very low	29.1	Very low	109 Å²	109	113.9 Å²	113.9	67%	0.669	66%	0.662	S	S	*	*				66.2	123.7	126.8	66.8	0	0	0	0	125.7
2125	T	26.7	Very low	29.1	Very low	115 Å²	115	114.2 Å²	114.2	71%	0.706	67%	0.669	S	S	*	*				71.8	136.9	127.7	59.3	0	0	0	0	125.3
2126	T	27.5	Very low	28.9	Very low	116 Å²	116	114.9 Å²	114.9	71%	0.712	67%	0.673	S	S	*	*			trans	79	129.5	141.2	46	0	0	0	0	122.5
2127	N	28	Very low	29	Very low	141 Å²	141	117.2 Å²	117.2	75%	0.754	68%	0.676	S	S	*	*			trans	70.7	126.9	155	-55.3	-15.2	0	0	0	116.7
2128	A	25.6	Very low	29	Very low	80 Å²	80	119 Å²	119	66%	0.661	68%	0.682	S	S	*	*			cis	71.3	134	42.8	0	0	0	0	0	111.9
2129	T	26	Very low	28.9	Very low	119 Å²	119	120.5 Å²	120.5	73%	0.73	69%	0.692	S	S	*	*			cis	-165.6	176	9.8	-5.7	0	0	0	0	112.7
2130	N	28	Very low	28.9	Very low	120 Å²	120	121.6 Å²	121.6	64%	0.642	70%	0.696	S	S	*	*			trans	87.1	127.5	137.6	-78.8	3.8	0	0	0	124.3
2131	N	28.2	Very low	29	Very low	131 Å²	131	120.8 Å²	120.8	70%	0.701	70%	0.698	S	S	*	*			trans	74.5	163.9	136.1	-54	-8.3	0	0	0	117.7
2132	T	33.7	Very low	29.1	Very low	123 Å²	123	124 Å²	124	76%	0.755	71%	0.712	S	S	*	*			cis	-152.8	163.9	27.1	51.7	0	0	0	0	111.4
2133	T	31.4	Very low	29.2	Very low	106 Å²	106	125.1 Å²	125.1	65%	0.65	72%	0.723	S	S	*	*			cis	-178.6	170.3	-13.6	33.5	0	0	0	0	107.3
2134	N	29.3	Very low	29.4	Very low	148 Å²	148	123.7 Å²	123.7	79%	0.791	72%	0.722	S	S	*	*			cis	-178	103.7	-42.5	-94.1	8.9	0	0	0	108.5
2135	T	31.9	Very low	29.5	Very low	130 Å²	130	124.7 Å²	124.7	80%	0.798	72%	0.724	S	S	*	*			trans	-153.1	139.5	176.7	50	0	0	0	0	110.7
2136	T	29.6	Very low	29.8	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	72%	0.724	S	S	*	*			cis	-171.6	178.9	-1.9	20.7	0	0	0	0	106.9
2137	H	31.5	Very low	30.1	Very low	153 Å²	153	126.1 Å²	126.1	71%	0.708	73%	0.728	S	S	*	*			cis	-160.2	171	8.5	-135.6	-77.3	0	0	0	110.2
2138	N	31.7	Very low	30.3	Very low	126 Å²	126	124.3 Å²	124.3	67%	0.674	72%	0.722	S	S	*	*			trans	79.8	146.8	151.6	-70.4	-13.1	0	0	0	124.1
2139	T	30.5	Very low	30.7	Very low	126 Å²	126	126.4 Å²	126.4	77%	0.773	72%	0.722	S	S	*	*			trans	58.8	115.8	162.1	40	0	0	0	0	119.6
2140	I	29.6	Very low	30.8	Very low	141 Å²	141	125.8 Å²	125.8	72%	0.723	72%	0.718	S	S	*	*			cis	112.3	111.4	3.5	-58.1	167.8	0	0	0	115.3
2141	T	31.1	Very low	30.7	Very low	119 Å²	119	125.7 Å²	125.7	73%	0.73	72%	0.722	S	S	*	*			trans	55.3	139.2	161.4	55	0	0	0	0	119.9
2142	N	30.3	Very low	30.6	Very low	149 Å²	149	124.7 Å²	124.7	80%	0.797	72%	0.721	S	S	*	*			cis	111.2	150.8	21.2	-86	2.4	0	0	0	113.8
2143	T	28.4	Very low	30.6	Very low	129 Å²	129	124.9 Å²	124.9	79%	0.791	72%	0.717	S	S	*	*			trans	75.6	111.7	166	52.8	0	0	0	0	120.9
2144	S	31.5	Very low	30.5	Very low	97 Å²	97	125.6 Å²	125.6	68%	0.678	72%	0.717	S	S	*	*			trans	68.9	125.5	132	64.3	0	0	0	0	121.7
2145	D	30.1	Very low	30.6	Very low	130 Å²	130	124.1 Å²	124.1	70%	0.695	71%	0.714	S	S	*	*			trans	67.9	111.5	133	-66.2	25.5	0	0	0	117.8
2146	N	32.3	Very low	30.5	Very low	132 Å²	132	123.1 Å²	123.1	71%	0.706	71%	0.707	S	S	*	*				74.2	133.4	98.6	-59.7	-37.4	0	0	0	112.2
2147	T	33.1	Very low	30.5	Very low	129 Å²	129	122.6 Å²	122.6	79%	0.791	70%	0.704	S	S	*	*	S	Bend	cis	-142.8	163	30.4	52.6	0	0	0	0	111.6
2148	T	32.4	Very low	30.4	Very low	104 Å²	104	121.5 Å²	121.5	64%	0.638	70%	0.704	S	S	*	*	S	Bend	cis	-122.9	171.8	13.7	59.1	0	0	0	0	113
2149	D	33.2	Very low	30.2	Very low	124 Å²	124	119 Å²	119	66%	0.663	69%	0.693	S	S	*	*			trans	65.4	89.5	157	-48.3	-40.2	0	0	0	116.5
2150	T	28.7	Very low	30.3	Very low	106 Å²	106	115.3 Å²	115.3	65%	0.65	67%	0.669	S	S	*	*				66.2	112.8	78.8	68.7	0	0	0	0	111.2
2151	T	26.1	Very low	30.2	Very low	118 Å²	118	112.4 Å²	112.4	72%	0.724	66%	0.657	S	S	*	*				136.4	-178.5	59.9	33	0	0	0	0	104.3
2152	T	26.1	Very low	30.2	Very low	110 Å²	110	109.7 Å²	109.7	68%	0.675	64%	0.641	S	S	*	*			trans	-30.8	145.1	146.4	51.9	0	0	0	0	113.5
2153	D	33.1	Very low	30.1	Very low	126 Å²	126	106 Å²	106	67%	0.674	62%	0.623	S	S	*	*			cis	-145.3	161.7	39.2	-119.3	-44.3	0	0	0	118.3
2154	N	30.9	Very low	30.3	Very low	122 Å²	122	104.5 Å²	104.5	65%	0.652	61%	0.611	S	S	*	*			trans	1.5	143.7	144.8	-85	-64.4	0	0	0	120.2
2155	T	31	Very low	30.7	Very low	117 Å²	117	102.7 Å²	102.7	72%	0.718	60%	0.596	S	S	*	*			trans	72.4	148.9	139.6	61.8	0	0	0	0	117.4
2156	T	30.2	Very low	31.2	Very low	108 Å²	108	100.2 Å²	100.2	66%	0.663	59%	0.586	S	S	*	*			cis	-159.3	166.2	2.9	-1.2	0	0	0	0	112.8
2157	T	29.7	Very low	31.2	Very low	109 Å²	109	96.7 Å²	96.7	67%	0.669	57%	0.567	S	S	*	*			trans	64	135.1	145	55.7	0	0	0	0	120.2
2158	N	27.5	Very low	30.9	Very low	129 Å²	129	91.2 Å²	91.2	69%	0.69	53%	0.533	S	S	*	.			cis	-152.5	173	-12.1	-119.3	2.2	0	0	0	112
2159	T	27.8	Very low	30.6	Very low	73 Å²	73	86.3 Å²	86.3	45%	0.448	50%	0.503	S	S	.	.			trans	-18.3	162.9	159.2	65.6	0	0	0	0	117.9	C1940	C1940-T2159 PolarHBondContact SG-O 3.49Å
2160	D	32.7	Very low	30.4	Very low	50 Å²	50	81.6 Å²	81.6	27%	0.267	48%	0.482	S	S	.	.			cis	-139.4	142.4	28.6	-89.1	-72.3	0	0	0	112.7
2161	T	29.1	Very low	30.5	Very low	79 Å²	79	77.3 Å²	77.3	49%	0.485	46%	0.455	S	S	.	.				59.9	145.1	72.3	89.9	0	0	0	0	115.4	S1794	S1794-T2161 PolarHBondContact OG-O 2.86Å
2162	T	29.2	Very low	30.4	Very low	62 Å²	62	71.7 Å²	71.7	38%	0.38	42%	0.42	S	S	.	.			cis	-118.1	-124.7	7.6	-40	0	0	0	0	112.9	S1794	S1794-T2162 PolarHBondContact OG-N 3.08Å
2163	T	29.7	Very low	30.5	Very low	71 Å²	71	66.5 Å²	66.5	44%	0.436	39%	0.388	S	S	.	.			trans	-160.4	172.9	-153.9	60.5	0	0	0	0	116.2	H1742	H1742-T2163 PolarHBondContact CD2-O 3.21Å
2164	N	32.4	Very low	30.4	Very low	99 Å²	99	60.5 Å²	60.5	53%	0.529	36%	0.356	S	S	.	.			trans	100.1	120.5	133.3	-86.5	-7.5	0	0	0	123.4	Y1798	Y1798-N2164 WeakPolarHBondContact CE2-O 3.39Å; Y1798-N2164 PolarHBondContact OH-O 3.33Å
2165	T	39.3	Very low	30.2	Very low	59 Å²	59	54.7 Å²	54.7	36%	0.362	33%	0.325	S	S	.	.			trans	84.8	117.3	130.2	61.5	0	0	0	0	122.3	R1802	R1802-T2165 PolarHBondContact NE-O 3.33Å; R1802-T2165 PolarHBondContact NH2-O 2.98Å
2166	T	40	Very low	30	Very low	78 Å²	78	50.3 Å²	50.3	48%	0.479	30%	0.295	S	S	.	.				58.4	154.3	119.5	72.9	0	0	0	0	124	R1802	R1802-T2166 PolarHBondContact NH2-O 2.55Å
2167	N	32.4	Very low	30.6	Very low	57 Å²	57	45.2 Å²	45.2	31%	0.305	26%	0.264	S	S	.	.			trans	70.8	179.4	131.5	-91.8	-38.4	0	0	0	118.1	N1617	N1617-N2167 PolarHBondContact ND2-OD1 2.97Å
2168	T	26.7	Very low	30.4	Very low	15 Å²	15	40 Å²	40	9%	0.092	23%	0.232	C	C	.	.	S	Bend	trans	42.3	158.7	137.3	67.7	0	0	0	0	118.2	P1616 N1617 T1620 A1738 T1739	P1616-T2168 VanDerWaalsContact CA-C 3.42Å; P1616-T2168 VanDerWaalsContact CA-O 3.28Å; P1616-T2168 WeakPolarHBondContact CA-O 3.46Å; P1616-T2168 VanDerWaalsContact CB-C 3.41Å; P1616-T2168 VanDerWaalsContact CB-O 3.24Å; P1616-T2168 WeakPolarHBondContact CB-O 3.47Å; N1617-T2168 HydrophobicContact CB-CG2 3.82Å; N1617-T2168 VanDerWaalsContact N-CA 3.31Å; N1617-T2168 WeakPolarHBondContact O-CA 3.37Å; N1617-T2168 VanDerWaalsContact O-CB 3.3Å; N1617-T2168 WeakPolarHBondContact O-CB 3.29Å; N1617-T2168 WeakPolarHBondContact O-CG2 3.5Å; T1620-T2168 HydrophobicContact CG2-CG2 4.32Å; T1620-T2168 WeakPolarHBondContact OG1-CB 3.34Å; T1620-T2168 WeakPolarHBondContact OG1-CG2 3Å; A1738-T2168 CarbonylContact C-O 3.28Å; A1738-T2168 WeakPolarHBondContact CB-O 3.35Å; A1738-T2168 CarbonylContact O-C 2.9Å; T1739-T2168 WeakPolarHBondContact CA-O 3.45Å; T1739-T2168 VanDerWaalsContact CG2-O 3.3Å; T1739-T2168 WeakPolarHBondContact CG2-O 3.42Å; T1739-T2168 PolarHBondContact N-O 3.05Å
2169	T	27	Very low	30.4	Very low	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.			cis	35.4	175.4	48.3	84.1	0	0	0	0	113.5	P1616 N1617 M1618 T1620 L1621 A1738	P1616-T2169 HydrophobicContact CB-CG2 3.87Å; N1617-T2169 PolarHBondContact O-OG1 3.23Å; M1618-T2169 VanDerWaalsContact C-OG1 3.32Å; M1618-T2169 VanDerWaalsContact CA-CG2 3.49Å; M1618-T2169 VanDerWaalsContact CA-OG1 3.32Å; M1618-T2169 WeakPolarHBondContact CA-OG1 3.22Å; M1618-T2169 HydrophobicContact CB-CG2 3.77Å; M1618-T2169 HydrophobicContact CG-CG2 3.53Å; M1618-T2169 HydrophobicContact SD-CG2 3.97Å; T1620-T2169 PolarHBondContact N-OG1 2.72Å; T1620-T2169 VanDerWaalsContact N-OG1 3.15Å; T1620-T2169 PolarHBondContact OG1-O 3.44Å; T1620-T2169 PolarHBondContact OG1-OG1 2.81Å; L1621-T2169 HydrophobicContact CB-CG2 3.74Å; L1621-T2169 HydrophobicContact CD1-CG2 3.69Å; L1621-T2169 HydrophobicContact CG-CG2 4.34Å; L1621-T2169 PolarHBondContact N-OG1 3.33Å; A1738-T2169 CarbonylContact C-O 3.48Å; A1738-T2169 VanDerWaalsContact C-O 3.27Å; A1738-T2169 WeakPolarHBondContact CA-O 3.08Å; A1738-T2169 VanDerWaalsContact CB-CA 3.47Å; A1738-T2169 CarbonylContact O-C 3.45Å
2170	A	30	Very low	31	Very low	26 Å²	26	37.4 Å²	37.4	22%	0.215	21%	0.209	C	C	.	.			trans	55.8	73	-155.9	0	0	0	0	0	110.6	T1620 A1738	T1620-A2170 HydrophobicContact CG2-CB 4.26Å; T1620-A2170 PolarHBondContact O-N 2.99Å; T1620-A2170 WeakPolarHBondContact OG1-CA 3.44Å; T1620-A2170 WeakPolarHBondContact OG1-CB 3.06Å; T1620-A2170 PolarHBondContact OG1-N 2.85Å; A1738-A2170 CarbonylContact C-O 3.55Å; A1738-A2170 CarbonylContact O-C 3.45Å
2171	N	30.2	Very low	30.6	Very low	16 Å²	16	38.7 Å²	38.7	9%	0.086	22%	0.216	C	C	.	.				74.5	65.6	107	-64.3	6.1	0	0	0	117.1	R1747 F1748 L1749	R1747-N2171 CarbonylContact C-O 3.54Å; R1747-N2171 WeakPolarHBondContact CA-O 3.25Å; R1747-N2171 HydrophobicContact CG-CB 4.18Å; R1747-N2171 VanDerWaalsContact CG-O 3.25Å; R1747-N2171 WeakPolarHBondContact CG-O 3.22Å; F1748-N2171 VanDerWaalsContact C-ND2 3.32Å; F1748-N2171 HydrophobicContact CB-CB 4.17Å; F1748-N2171 HydrophobicContact CD1-CB 4.31Å; F1748-N2171 WeakPolarHBondContact CD2-OD1 3.25Å; F1748-N2171 VanDerWaalsContact CG-CA 3.48Å; F1748-N2171 HydrophobicContact CG-CB 4.1Å; F1748-N2171 WeakPolarHBondContact CG-OD1 3.29Å; F1748-N2171 PolarHBondContact N-O 2.63Å; F1748-N2171 WeakPolarHBondContact O-CB 3.48Å; F1748-N2171 PolarHBondContact O-ND2 3.27Å; L1749-N2171 WeakPolarHBondContact CA-ND2 3.34Å; L1749-N2171 VanDerWaalsContact N-CG 3.31Å; L1749-N2171 PolarHBondContact N-ND2 3.25Å; L1749-N2171 PolarHBondContact O-ND2 3.01Å; L1749-N2171 VanDerWaalsContact O-ND2 3.15Å
2172	N	24.6	Very low	30.6	Very low	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.			trans	-104.7	141.1	141.8	-112.3	46.3	0	0	0	115.2	M1737 V1740 C1745 V1746 F1748 F1827	M1737-N2172 HydrophobicContact CB-CB 3.88Å; M1737-N2172 WeakPolarHBondContact CB-O 3.28Å; M1737-N2172 HydrophobicContact CG-CB 4.13Å; M1737-N2172 WeakPolarHBondContact CG-O 3.38Å; M1737-N2172 VanDerWaalsContact O-CB 3.28Å; M1737-N2172 WeakPolarHBondContact O-CB 3.04Å; M1737-N2172 PolarHBondContact O-N 2.67Å; V1740-N2172 HydrophobicContact CB-CB 3.88Å; V1740-N2172 VanDerWaalsContact CB-CG 3.48Å; V1740-N2172 WeakPolarHBondContact CB-OD1 3.44Å; V1740-N2172 HydrophobicContact CG1-CB 4.26Å; V1740-N2172 WeakPolarHBondContact CG1-ND2 3.34Å; V1740-N2172 WeakPolarHBondContact CG1-OD1 3.44Å; V1740-N2172 HydrophobicContact CG2-CB 4.45Å; V1740-N2172 PolarHBondContact O-OD1 2.04Å; V1740-N2172 VanDerWaalsContact O-OD1 3.09Å; C1745-N2172 WeakPolarHBondContact CB-ND2 3.31Å; V1746-N2172 WeakPolarHBondContact O-CA 3.47Å; V1746-N2172 PolarHBondContact O-ND2 3.41Å; V1746-N2172 PolarHBondContact O-OD1 3.22Å; F1748-N2172 VanDerWaalsContact CB-O 3.3Å; F1748-N2172 WeakPolarHBondContact CB-O 3.44Å; F1748-N2172 WeakPolarHBondContact CD1-O 3.34Å; F1827-N2172 HydrophobicContact CD2-CB 4.42Å; F1827-N2172 HydrophobicContact CE2-CB 4.18Å; F1827-N2172 WeakPolarHBondContact CE2-ND2 3.2Å; F1827-N2172 VanDerWaalsContact CZ-ND2 3.32Å; F1827-N2172 WeakPolarHBondContact CZ-ND2 3.44Å
2173	N	26.1	Very low	30.4	Very low	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.201	C	C	.	.			trans	-80.4	179.3	169.6	-79.4	-4.2	0	0	0	110.7	M1737 V1746 R1747 F1748 T1761 Q1762 F1827	M1737-N2173 WeakPolarHBondContact CE-O 3.05Å; V1746-N2173 VanDerWaalsContact C-CB 3.42Å; V1746-N2173 HydrophobicContact CB-CB 3.47Å; V1746-N2173 VanDerWaalsContact CB-CB 3.47Å; V1746-N2173 HydrophobicContact CG1-CB 3.71Å; V1746-N2173 WeakPolarHBondContact CG1-ND2 3.11Å; V1746-N2173 VanDerWaalsContact O-CB 3.29Å; V1746-N2173 WeakPolarHBondContact O-CB 3.43Å; V1746-N2173 PolarHBondContact O-N 3.04Å; R1747-N2173 PolarHBondContact N-ND2 3.33Å; R1747-N2173 VanDerWaalsContact N-ND2 3.11Å; R1747-N2173 PolarHBondContact O-ND2 2.84Å; R1747-N2173 PolarHBondContact O-OD1 2.83Å; F1748-N2173 WeakPolarHBondContact CA-OD1 3.21Å; F1748-N2173 VanDerWaalsContact CB-OD1 3.29Å; F1748-N2173 WeakPolarHBondContact CB-OD1 3.01Å; F1748-N2173 PolarHBondContact N-OD1 2.79Å; T1761-N2173 WeakPolarHBondContact CA-OD1 3.31Å; T1761-N2173 WeakPolarHBondContact CB-OD1 3.32Å; T1761-N2173 HydrophobicContact CG2-CB 4.18Å; T1761-N2173 WeakPolarHBondContact CG2-OD1 3.25Å; Q1762-N2173 WeakPolarHBondContact CA-ND2 3.13Å; Q1762-N2173 VanDerWaalsContact CB-ND2 3.33Å; Q1762-N2173 WeakPolarHBondContact CB-ND2 3.22Å; Q1762-N2173 WeakPolarHBondContact CG-ND2 3.08Å; Q1762-N2173 PolarHBondContact N-ND2 3.47Å; Q1762-N2173 PolarHBondContact N-OD1 2.86Å; Q1762-N2173 VanDerWaalsContact N-OD1 3.11Å; Q1762-N2173 PolarHBondContact O-ND2 2.99Å; F1827-N2173 WeakPolarHBondContact CD2-O 3.45Å; F1827-N2173 WeakPolarHBondContact CE2-O 3.42Å
2174	N	31.4	Very low	30.2	Very low	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.			cis	-138.4	134.6	10.4	-126.3	-2.5	0	0	0	110.8	T1761 Q1762 L1815 T1825 Y2176	T1761-N2174 WeakPolarHBondContact CB-OD1 3.38Å; Q1762-N2174 PolarHBondContact O-OD1 2.96Å; L1815-N2174 WeakPolarHBondContact CD1-ND2 3.44Å; T1825-N2174 WeakPolarHBondContact OG1-CB 3.45Å; T1825-N2174 PolarHBondContact OG1-O 3.45Å; N2174-Y2176 HydrophobicContact CB-CD2 3.78Å; N2174-Y2176 HydrophobicContact CB-CE2 4.18Å; N2174-Y2176 HydrophobicContact CB-CG 4.06Å; N2174-Y2176 WeakPolarHBondContact ND2-CE2 3.4Å; N2174-Y2176 VanDerWaalsContact ND2-CZ 3.25Å; N2174-Y2176 PolarHBondContact ND2-OH 2.67Å; N2174-Y2176 WeakPolarHBondContact OD1-CD2 3.08Å; N2174-Y2176 WeakPolarHBondContact OD1-CE2 3.37Å
2175	N	27.3	Very low	29.9	Very low	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.			trans	-150.5	73	-158.8	-86.6	-11.8	0	0	0	105.5	V1643 A1714 I1715 K1716 E1733 M1737 L1759 T1761	V1643-N2175 VanDerWaalsContact CG2-O 3.3Å; V1643-N2175 WeakPolarHBondContact CG2-O 3.47Å; A1714-N2175 CarbonylContact C-O 3.45Å; I1715-N2175 PolarHBondContact N-O 3.33Å; K1716-N2175 HydrophobicContact CB-CB 3.61Å; K1716-N2175 HydrophobicContact CD-CB 3.43Å; K1716-N2175 VanDerWaalsContact CD-CB 3.43Å; K1716-N2175 WeakPolarHBondContact CD-ND2 3.26Å; K1716-N2175 WeakPolarHBondContact CD-OD1 3.42Å; K1716-N2175 WeakPolarHBondContact CE-OD1 3.18Å; K1716-N2175 HydrophobicContact CG-CB 4.16Å; K1716-N2175 PolarHBondContact NZ-OD1 3.17Å; E1733-N2175 VanDerWaalsContact OE1-CG 3.24Å; E1733-N2175 PolarHBondContact OE1-ND2 3.41Å; E1733-N2175 PolarHBondContact OE1-OD1 3.02Å; M1737-N2175 WeakPolarHBondContact CE-ND2 3.32Å; M1737-N2175 PolarHBondContact SD-ND2 3.48Å; M1737-N2175 VanDerWaalsContact SD-ND2 3.4Å; L1759-N2175 HydrophobicContact CD2-CB 4.07Å; T1761-N2175 HydrophobicContact CG2-CB 3.61Å; T1761-N2175 PolarHBondContact OG1-O 2.72Å
2176	Y	27.6	Very low	29.1	Very low	25 Å²	25	42.9 Å²	42.9	10%	0.098	22%	0.218	C	C	.	.			cis	54.8	92.3	17.9	-57.2	-116	0	0	0	116.5	I1635 A1714 Q1762 Y1763 L1764 L1815 N2174	I1635-Y2176 HydrophobicContact CD1-CD1 3.48Å; I1635-Y2176 VanDerWaalsContact CD1-CD1 3.48Å; I1635-Y2176 HydrophobicContact CD1-CE1 3.85Å; I1635-Y2176 HydrophobicContact CD1-CG 4.01Å; I1635-Y2176 HydrophobicContact CG1-CD1 4.13Å; A1714-Y2176 HydrophobicContact CB-CD2 3.54Å; A1714-Y2176 HydrophobicContact CB-CE2 3.47Å; A1714-Y2176 VanDerWaalsContact CB-CE2 3.47Å; A1714-Y2176 HydrophobicContact CB-CG 4.4Å; Q1762-Y2176 WeakPolarHBondContact O-CE2 3.34Å; Q1762-Y2176 PolarHBondContact O-OH 3.11Å; Y1763-Y2176 VanDerWaalsContact CA-OH 3.24Å; Y1763-Y2176 WeakPolarHBondContact CA-OH 3.39Å; Y1763-Y2176 HydrophobicContact CD2-CE1 4.3Å; Y1763-Y2176 AromaticContact CD2-CZ 3.91Å; L1764-Y2176 PolarHBondContact N-OH 2.87Å; L1815-Y2176 HydrophobicContact CD1-CD1 3.63Å; L1815-Y2176 HydrophobicContact CD1-CE1 3.19Å; L1815-Y2176 HydrophobicContact CD1-CG 4.45Å; N2174-Y2176 HydrophobicContact CB-CD2 3.78Å; N2174-Y2176 HydrophobicContact CB-CE2 4.18Å; N2174-Y2176 HydrophobicContact CB-CG 4.06Å; N2174-Y2176 WeakPolarHBondContact ND2-CE2 3.4Å; N2174-Y2176 VanDerWaalsContact ND2-CZ 3.25Å; N2174-Y2176 PolarHBondContact ND2-OH 2.67Å; N2174-Y2176 WeakPolarHBondContact OD1-CD2 3.08Å; N2174-Y2176 WeakPolarHBondContact OD1-CE2 3.37Å
2177	I	42	Very low	28.5	Very low	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.208	C	C	.	.			trans	-176.7	16	-173.6	-102.4	-127.7	0	0	0	114.3	G1636 S1637 G1638 F1640 G1641 T1642 V1643 K1716	G1636-I2177 CarbonylContact O-C 3.21Å; G1636-I2177 VanDerWaalsContact O-C 3.28Å; G1636-I2177 WeakPolarHBondContact O-CA 3.44Å; G1636-I2177 PolarHBondContact O-N 3.42Å; G1636-I2177 VanDerWaalsContact O-N 3.15Å; S1637-I2177 VanDerWaalsContact CA-O 3.31Å; S1637-I2177 WeakPolarHBondContact CA-O 3.48Å; S1637-I2177 VanDerWaalsContact CB-O 3.24Å; S1637-I2177 WeakPolarHBondContact CB-O 3.3Å; G1638-I2177 VanDerWaalsContact CA-CD1 3.44Å; G1638-I2177 WeakPolarHBondContact O-CD1 3.1Å; F1640-I2177 HydrophobicContact CB-CD1 4.05Å; G1641-I2177 WeakPolarHBondContact O-CG2 3.33Å; T1642-I2177 VanDerWaalsContact CA-CG2 3.44Å; T1642-I2177 WeakPolarHBondContact CA-O 3.31Å; V1643-I2177 HydrophobicContact CB-CB 4.08Å; V1643-I2177 HydrophobicContact CB-CG2 4.24Å; V1643-I2177 HydrophobicContact CG2-CB 3.46Å; V1643-I2177 VanDerWaalsContact CG2-CB 3.46Å; V1643-I2177 HydrophobicContact CG2-CG2 3.66Å; K1716-I2177 HydrophobicContact CD-CB 4.31Å; K1716-I2177 HydrophobicContact CD-CD1 4.48Å; K1716-I2177 HydrophobicContact CD-CG1 4.2Å; K1716-I2177 HydrophobicContact CD-CG2 4.48Å; K1716-I2177 HydrophobicContact CG-CB 4.23Å; K1716-I2177 HydrophobicContact CG-CG2 3.98Å
2178	R	26	Very low	28.1	Very low	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-102.5	133.9	176.3	22.8	178.4	-89.7	172.5	27.9	109.4	P1633 L1634 I1635 G1636 S1637 T1642 V1643 C1645	P1633-R2178 VanDerWaalsContact C-NH1 3.3Å; P1633-R2178 VanDerWaalsContact C-NH2 3.26Å; P1633-R2178 VanDerWaalsContact CB-NH2 3.33Å; P1633-R2178 WeakPolarHBondContact O-CD 3.45Å; P1633-R2178 PolarHBondContact O-NE 2.82Å; P1633-R2178 PolarHBondContact O-NH1 3.4Å; L1634-R2178 VanDerWaalsContact CA-CB 3.43Å; L1634-R2178 VanDerWaalsContact CA-CD 3.45Å; L1634-R2178 VanDerWaalsContact CA-CZ 3.47Å; L1634-R2178 HydrophobicContact CB-CB 3.81Å; L1634-R2178 HydrophobicContact CD1-CB 3.59Å; L1634-R2178 HydrophobicContact CD1-CG 4.49Å; L1634-R2178 HydrophobicContact CG-CB 3.46Å; L1634-R2178 VanDerWaalsContact CG-CB 3.46Å; L1634-R2178 VanDerWaalsContact N-NH2 3.16Å; L1634-R2178 PolarHBondContact O-NE 2.66Å; L1634-R2178 PolarHBondContact O-NH2 3.21Å; I1635-R2178 CarbonylContact C-O 3.46Å; I1635-R2178 VanDerWaalsContact CA-NE 3.28Å; I1635-R2178 VanDerWaalsContact CA-O 3.26Å; I1635-R2178 WeakPolarHBondContact CA-O 3.08Å; I1635-R2178 HydrophobicContact CB-CG 4.24Å; I1635-R2178 HydrophobicContact CD1-CG 4.17Å; I1635-R2178 VanDerWaalsContact CD1-NE 3.31Å; I1635-R2178 HydrophobicContact CG1-CG 3.76Å; I1635-R2178 PolarHBondContact N-O 3.19Å; G1636-R2178 VanDerWaalsContact C-C 3.42Å; G1636-R2178 CarbonylContact C-O 3.27Å; G1636-R2178 WeakPolarHBondContact CA-O 3.47Å; G1636-R2178 PolarHBondContact N-O 3.28Å; G1636-R2178 CarbonylContact O-C 3.57Å; G1636-R2178 PolarHBondContact O-N 2.92Å; S1637-R2178 PolarHBondContact N-O 3.36Å; T1642-R2178 HydrophobicContact CG2-CB 4.29Å; V1643-R2178 HydrophobicContact CB-CB 4.38Å; V1643-R2178 HydrophobicContact CB-CG 3.71Å; V1643-R2178 HydrophobicContact CG1-CG 3.69Å; V1643-R2178 WeakPolarHBondContact O-CB 3.35Å; V1643-R2178 WeakPolarHBondContact O-CD 3.36Å; V1643-R2178 WeakPolarHBondContact O-CG 3.3Å; C1645-R2178 VanDerWaalsContact CA-NH1 3.26Å; C1645-R2178 PolarHBondContact SG-NH1 3.06Å
2179	F	27.9	Very low	27.9	Very low	131 Å²	131	40.4 Å²	40.4	58%	0.575	21%	0.206	S	C	*	.	S	Bend	cis	-174.4	-52	2	139.9	71.5	0	0	0	107.6	L1634 S1637	L1634-F2179 HydrophobicContact CB-CB 3.87Å; L1634-F2179 HydrophobicContact CB-CD2 4.07Å; L1634-F2179 HydrophobicContact CB-CG 4.37Å; L1634-F2179 HydrophobicContact CD2-CB 3.42Å; L1634-F2179 VanDerWaalsContact CD2-CB 3.42Å; L1634-F2179 HydrophobicContact CD2-CD1 4.21Å; L1634-F2179 HydrophobicContact CD2-CD2 3.59Å; L1634-F2179 HydrophobicContact CD2-CE2 4.38Å; L1634-F2179 HydrophobicContact CD2-CG 3.48Å; L1634-F2179 VanDerWaalsContact CD2-CG 3.48Å; L1634-F2179 HydrophobicContact CG-CB 3.39Å; L1634-F2179 HydrophobicContact CG-CD2 4.15Å; L1634-F2179 HydrophobicContact CG-CG 4Å; S1637-F2179 PolarHBondContact OG-O 3Å
2180	Q	38.4	Very low	27.9	Very low	16 Å²	16	44.3 Å²	44.3	8%	0.075	23%	0.226	C	C	.	.				27.1	92.9	93	-96.5	68.7	63.1	0	0	111	L1634 I1635 G1636 S1637	L1634-Q2180 PolarHBondContact O-OE1 3.04Å; I1635-Q2180 WeakPolarHBondContact O-CB 3.4Å; I1635-Q2180 WeakPolarHBondContact O-CG 3.45Å; G1636-Q2180 CarbonylContact C-O 3.46Å; S1637-Q2180 WeakPolarHBondContact CB-O 3.49Å; S1637-Q2180 PolarHBondContact N-O 3.26Å; S1637-Q2180 PolarHBondContact OG-O 3.38Å
2181	N	26.2	Very low	27.6	Very low	77 Å²	77	45.8 Å²	45.8	41%	0.412	23%	0.229	S	C	.	.				61.1	97.5	71.9	-45	9.1	0	0	0	108.8	E1972	E1972-N2181 PolarHBondContact OE2-ND2 3.22Å
2182	E	27.2	Very low	27.6	Very low	70 Å²	70	52.9 Å²	52.9	33%	0.327	26%	0.256	S	S	.	.				-126.2	135.7	118.1	-131	-66.2	83.4	0	0	105.9	E1771 K1774 N1969 N2184	E1771-E2182 VanDerWaalsContact OE2-CD 3.23Å; E1771-E2182 WeakPolarHBondContact OE2-CG 3.34Å; K1774-E2182 IonicContact NZ-OE2 2.88Å; K1774-E2182 PolarHBondContact NZ-OE2 3.4Å; N1969-E2182 PolarHBondContact ND2-OE1 3.22Å; E2182-N2184 PolarHBondContact O-N 3.06Å
2183	I	25.7	Very low	27.7	Very low	44 Å²	44	56.6 Å²	56.6	23%	0.226	27%	0.274	C	S	.	.			trans	-62	124.4	-157.5	-74.4	-173.6	0	0	0	111.1	R1884 N1969	R1884-I2183 PolarHBondContact NH2-O 3.01Å; N1969-I2183 WeakPolarHBondContact OD1-CD1 3.23Å
2184	N	25.9	Very low	27.7	Very low	108 Å²	108	59.3 Å²	59.3	58%	0.578	29%	0.289	S	S	*	.			trans	51.1	134.6	164	-60.7	-26.6	0	0	0	117	R1884 E2182 V2186	R1884-N2184 PolarHBondContact NE-O 2.98Å; E2182-N2184 PolarHBondContact O-N 3.06Å; N2184-V2186 HydrophobicContact CB-CB 3.51Å; N2184-V2186 HydrophobicContact CB-CG2 3.56Å; N2184-V2186 VanDerWaalsContact CB-N 3.3Å; N2184-V2186 PolarHBondContact O-N 3.01Å
2185	K	26.9	Very low	27.6	Very low	186 Å²	186	64.5 Å²	64.5	81%	0.809	32%	0.317	S	S	*	.			trans	-72	50.9	142.6	-78.9	-167.8	176.8	-179.3	0	110.5
2186	V	22.5	Very low	27.6	Very low	50 Å²	50	70.9 Å²	70.9	30%	0.303	35%	0.349	S	S	.	.			trans	-58.8	140	163.9	131.4	0	0	0	0	105.7	R1884 N2184	R1884-V2186 WeakPolarHBondContact CD-O 3.31Å; R1884-V2186 VanDerWaalsContact CZ-CG1 3.49Å; R1884-V2186 VanDerWaalsContact NH1-CG1 3.29Å; N2184-V2186 HydrophobicContact CB-CB 3.51Å; N2184-V2186 HydrophobicContact CB-CG2 3.56Å; N2184-V2186 VanDerWaalsContact CB-N 3.3Å; N2184-V2186 PolarHBondContact O-N 3.01Å
2187	T	25.7	Very low	27.7	Very low	42 Å²	42	74.9 Å²	74.9	26%	0.258	37%	0.372	S	S	.	.			trans	53.4	86.1	158.4	55.2	0	0	0	0	115.8	K1850 E1887 P2189	K1850-T2187 PolarHBondContact NZ-O 3.47Å; E1887-T2187 CarbonylContact C-O 3.52Å; E1887-T2187 HydrophobicContact CG-CG2 4.34Å; E1887-T2187 CarbonylContact O-C 3.55Å; E1887-T2187 VanDerWaalsContact O-CB 3.23Å; E1887-T2187 WeakPolarHBondContact O-CB 3.46Å; E1887-T2187 WeakPolarHBondContact OE1-CB 3.36Å; E1887-T2187 PolarHBondContact OE1-OG1 2.87Å; T2187-P2189 HydrophobicContact CG2-CG 4.34Å
2188	L	23.6	Very low	27.1	Very low	15 Å²	15	81.2 Å²	81.2	8%	0.079	41%	0.405	C	S	.	.				-121.2	96.3	121.3	-105.3	-172.2	0	0	0	106.7	K1850 Y1886 N1888 I1889 H1890	K1850-L2188 HydrophobicContact CB-CD1 4.17Å; K1850-L2188 HydrophobicContact CD-CD1 3.48Å; K1850-L2188 VanDerWaalsContact CD-CD1 3.48Å; K1850-L2188 HydrophobicContact CD-CG 3.8Å; K1850-L2188 VanDerWaalsContact CE-CG 3.48Å; K1850-L2188 HydrophobicContact CG-CD1 3.49Å; K1850-L2188 VanDerWaalsContact CG-CD1 3.49Å; K1850-L2188 HydrophobicContact CG-CG 4.33Å; Y1886-L2188 HydrophobicContact CG-CD2 4.43Å; Y1886-L2188 VanDerWaalsContact O-CD2 3.24Å; Y1886-L2188 WeakPolarHBondContact O-CD2 3.14Å; N1888-L2188 VanDerWaalsContact N-CD2 3.3Å; N1888-L2188 WeakPolarHBondContact O-CD2 3.38Å; I1889-L2188 WeakPolarHBondContact O-CB 3.18Å; I1889-L2188 WeakPolarHBondContact O-CD1 3.23Å; I1889-L2188 WeakPolarHBondContact O-CG 3.05Å; H1890-L2188 WeakPolarHBondContact CA-O 3.33Å; H1890-L2188 PolarHBondContact CE1-O 2.94Å; H1890-L2188 PolarHBondContact N-O 3.34Å; H1890-L2188 VanDerWaalsContact N-O 3.11Å; H1890-L2188 PolarHBondContact ND1-O 3.4Å
2189	P	24.3	Very low	27.2	Very low	42 Å²	42	87 Å²	87	27%	0.273	44%	0.436	S	S	.	.			trans	-85.2	-85.1	160.6	4.9	-16.6	0	0	0	119	E1887 N1888 I1889 H1890 T2187	E1887-P2189 WeakPolarHBondContact O-CD 3.04Å; N1888-P2189 WeakPolarHBondContact OD1-CB 3.29Å; N1888-P2189 VanDerWaalsContact OD1-CG 3.23Å; N1888-P2189 WeakPolarHBondContact OD1-CG 3.35Å; I1889-P2189 CarbonylContact C-O 3.23Å; I1889-P2189 PolarHBondContact N-O 3.32Å; I1889-P2189 VanDerWaalsContact N-O 3.14Å; H1890-P2189 WeakPolarHBondContact CB-O 3.36Å; H1890-P2189 PolarHBondContact CD2-O 2.97Å; H1890-P2189 PolarHBondContact N-O 3.34Å; T2187-P2189 HydrophobicContact CG2-CG 4.34Å
2190	N	25.5	Very low	27.4	Very low	81 Å²	81	87.3 Å²	87.3	43%	0.433	44%	0.444	S	S	.	.	S	Bend	trans	-146	102.8	-176.7	-89.5	-38.1	0	0	0	117.4	N1888 I1889 N1893	N1888-N2190 VanDerWaalsContact CB-C 3.44Å; N1888-N2190 PolarHBondContact OD1-N 3.03Å; I1889-N2190 WeakPolarHBondContact CG2-OD1 3.09Å; I1889-N2190 VanDerWaalsContact N-CA 3.31Å; I1889-N2190 VanDerWaalsContact N-N 3.12Å; N1893-N2190 PolarHBondContact ND2-OD1 3.5Å
2191	Q	25.4	Very low	27.2	Very low	58 Å²	58	89.6 Å²	89.6	27%	0.271	46%	0.46	S	S	.	.			trans	80.9	157.4	154.9	-49.3	-176.2	-43.7	0	0	115.8	N1888 I1889 F1897 I2193	N1888-Q2191 WeakPolarHBondContact CB-O 3.44Å; N1888-Q2191 PolarHBondContact O-N 3.02Å; I1889-Q2191 HydrophobicContact CB-CG 4.47Å; I1889-Q2191 HydrophobicContact CG1-CB 4.49Å; I1889-Q2191 HydrophobicContact CG1-CG 4.06Å; I1889-Q2191 HydrophobicContact CG2-CG 3.62Å; I1889-Q2191 VanDerWaalsContact N-N 3.13Å; F1897-Q2191 HydrophobicContact CD2-CB 3.97Å; F1897-Q2191 HydrophobicContact CD2-CG 3.73Å; F1897-Q2191 HydrophobicContact CE2-CB 3.75Å; F1897-Q2191 HydrophobicContact CE2-CG 4.04Å; Q2191-I2193 HydrophobicContact CB-CD1 3.96Å; Q2191-I2193 HydrophobicContact CB-CG1 4.03Å; Q2191-I2193 HydrophobicContact CG-CD1 4.36Å; Q2191-I2193 VanDerWaalsContact OE1-CD1 3.25Å
2192	Y	29.7	Very low	27.4	Very low	165 Å²	165	96.6 Å²	96.6	65%	0.647	48%	0.48	S	S	*	.				-140.6	119.6	72.9	-88	-88.4	0	0	0	112.3	F1897 D2194	F1897-Y2192 WeakPolarHBondContact CE2-O 3.42Å; F1897-Y2192 WeakPolarHBondContact CZ-O 3.36Å; Y2192-D2194 PolarHBondContact O-N 3.4Å
2193	I	26.6	Very low	27.4	Very low	77 Å²	77	98.5 Å²	98.5	40%	0.395	49%	0.493	S	S	.	.				49	68.1	73.9	-65	174.8	0	0	0	106.7	N1902 Q2191	N1902-I2193 WeakPolarHBondContact ND2-CG1 3.43Å; N1902-I2193 PolarHBondContact ND2-N 3.4Å; Q2191-I2193 HydrophobicContact CB-CD1 3.96Å; Q2191-I2193 HydrophobicContact CB-CG1 4.03Å; Q2191-I2193 HydrophobicContact CG-CD1 4.36Å; Q2191-I2193 VanDerWaalsContact OE1-CD1 3.25Å
2194	D	25.6	Very low	27.4	Very low	57 Å²	57	103.1 Å²	103.1	31%	0.305	52%	0.518	S	S	.	.				80.1	170.7	89	-164	20.9	0	0	0	110	N1902 Y2192	N1902-D2194 HydrophobicContact CB-CB 4.23Å; N1902-D2194 VanDerWaalsContact OD1-CB 3.26Å; N1902-D2194 WeakPolarHBondContact OD1-CB 3.46Å; Y2192-D2194 PolarHBondContact O-N 3.4Å
2195	N	29.8	Very low	27.3	Very low	110 Å²	110	102 Å²	102	59%	0.588	52%	0.518	S	S	*	.			trans	66.8	133.7	160	-68.2	-48.1	0	0	0	115.6
2196	I	27.9	Very low	27.4	Very low	133 Å²	133	100.8 Å²	100.8	68%	0.682	52%	0.519	S	S	*	.			cis	-159.1	158.7	2.2	-136.5	157.8	0	0	0	105.3
2197	N	28.1	Very low	27.6	Very low	109 Å²	109	105.4 Å²	105.4	58%	0.583	54%	0.537	S	S	*	.			cis	-174.9	177.2	45.8	-150.9	-10.7	0	0	0	111.1
2198	I	29.9	Very low	27.9	Very low	135 Å²	135	110.9 Å²	110.9	69%	0.692	56%	0.56	S	S	*	*			trans	67	126.5	149.9	-73	155.1	0	0	0	117
2199	N	28.1	Very low	27.9	Very low	121 Å²	121	115.1 Å²	115.1	65%	0.647	59%	0.589	S	S	*	*			cis	-171.6	174.1	-26.1	-112.5	5.7	0	0	0	106.6
2200	D	32	Very low	27.9	Very low	137 Å²	137	116.4 Å²	116.4	73%	0.733	59%	0.594	S	S	*	*			trans	72.2	150.1	147.5	-91.3	43.8	0	0	0	119.8
2201	P	33.5	Very low	28.3	Very low	64 Å²	64	120.3 Å²	120.3	42%	0.416	62%	0.615	S	S	.	*			cis	-146.8	145.1	-43.4	37.1	-19.6	0	0	0	114.4
2202	R	31.4	Very low	28.2	Very low	224 Å²	224	123.8 Å²	123.8	85%	0.845	63%	0.634	S	S	*	*				157.9	147	112.9	-88.5	168.6	-100.1	-145.3	-11.6	113.1
2203	D	27.9	Very low	28	Very low	111 Å²	111	121.2 Å²	121.2	59%	0.594	63%	0.631	S	S	*	*			cis	-171.8	165	-39	-121.9	-55.1	0	0	0	109.8
2204	N	25.1	Very low	28	Very low	141 Å²	141	123.7 Å²	123.7	75%	0.754	64%	0.643	S	S	*	*			trans	10.4	131.1	154.2	-72	-65.8	0	0	0	119.9
2205	S	24.4	Very low	28	Very low	83 Å²	83	127.4 Å²	127.4	58%	0.58	66%	0.663	S	S	*	*			trans	68.2	122.3	-179.9	79	0	0	0	0	112.5	H2207	S2205-H2207 PolarHBondContact OG-CD2 3.24Å
2206	I	28.7	Very low	27.7	Very low	162 Å²	162	125.8 Å²	125.8	83%	0.831	67%	0.665	S	S	*	*			cis	33.9	71.8	41.4	-44.1	-177.9	0	0	0	112
2207	H	25.9	Very low	27.4	Very low	147 Å²	147	124 Å²	124	68%	0.681	65%	0.654	S	S	*	*			trans	-114.3	102.8	139.3	-80.8	-61.8	0	0	0	107.8	S2205 C2209	S2205-H2207 PolarHBondContact OG-CD2 3.24Å; H2207-C2209 HydrophobicContact CB-CB 4.37Å; H2207-C2209 PolarHBondContact O-N 2.78Å
2208	H	31.7	Very low	27.3	Very low	157 Å²	157	123.7 Å²	123.7	73%	0.727	65%	0.649	S	S	*	*			trans	-74.6	49.2	167	-155.3	-3.8	0	0	0	109.7	N2210	H2208-N2210 PolarHBondContact CE1-OD1 2.04Å; H2208-N2210 PolarHBondContact ND1-OD1 3.43Å; H2208-N2210 PolarHBondContact O-N 3.17Å
2209	C	23.6	Very low	27.3	Very low	103 Å²	103	121.4 Å²	121.4	70%	0.696	64%	0.641	S	S	*	*			trans	-84.5	60.4	174.2	-65.3	0	0	0	0	109.4	H2207 D2211	H2207-C2209 HydrophobicContact CB-CB 4.37Å; H2207-C2209 PolarHBondContact O-N 2.78Å; C2209-D2211 PolarHBondContact O-N 2.99Å
2210	N	25.4	Very low	27.3	Very low	69 Å²	69	120.2 Å²	120.2	37%	0.369	64%	0.635	S	S	.	*				-6.4	123.4	127.6	-74.7	-1.4	0	0	0	111.7	H2208 I2212 L2213	H2208-N2210 PolarHBondContact CE1-OD1 2.04Å; H2208-N2210 PolarHBondContact ND1-OD1 3.43Å; H2208-N2210 PolarHBondContact O-N 3.17Å; N2210-I2212 VanDerWaalsContact CB-C 3.5Å; N2210-L2213 PolarHBondContact ND2-O 2.79Å
2211	D	33	Very low	27.1	Very low	163 Å²	163	122.7 Å²	122.7	87%	0.872	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	cis	10.5	66.2	41.7	-74.7	9.2	0	0	0	116.9	C2209	C2209-D2211 PolarHBondContact O-N 2.99Å
2212	I	24	Very low	26.8	Very low	131 Å²	131	124.9 Å²	124.9	67%	0.672	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	cis	-141.7	140.7	-8.1	-42.6	168.2	0	0	0	108.4	N2210	N2210-I2212 VanDerWaalsContact CB-C 3.5Å
2213	L	24.9	Very low	26.6	Very low	111 Å²	111	121.1 Å²	121.1	58%	0.581	64%	0.635	S	S	*	*			trans	81.8	129.8	171	-58.5	118.9	0	0	0	119	N2210	N2210-L2213 PolarHBondContact ND2-O 2.79Å
2214	I	27.4	Very low	26.5	Very low	129 Å²	129	123 Å²	123	66%	0.662	64%	0.639	S	S	*	*				59.3	130.1	121.3	-57	-176.6	0	0	0	119.9
2215	D	25.1	Very low	26.6	Very low	135 Å²	135	122.2 Å²	122.2	72%	0.722	64%	0.635	S	S	*	*			trans	2.2	144.3	135.3	-43.9	-76.6	0	0	0	117.5
2216	A	22.8	Very low	26.8	Very low	76 Å²	76	125.7 Å²	125.7	63%	0.628	65%	0.647	S	S	*	*				50.8	126.1	76.7	0	0	0	0	0	114.4
2217	E	23.3	Very low	26.9	Very low	95 Å²	95	123.1 Å²	123.1	44%	0.444	64%	0.639	S	S	.	*			trans	80.4	153	142.1	-60.1	-170.1	175.7	0	0	122.7	N2271 E2272	E2217-N2271 WeakPolarHBondContact OE2-CB 3.46Å; E2217-E2272 VanDerWaalsContact CA-OE2 3.29Å; E2217-E2272 WeakPolarHBondContact CA-OE2 3.06Å; E2217-E2272 VanDerWaalsContact CB-OE2 3.25Å; E2217-E2272 WeakPolarHBondContact CB-OE2 3.35Å; E2217-E2272 HydrophobicContact CG-CB 3.99Å; E2217-E2272 HydrophobicContact CG-CG 4.37Å; E2217-E2272 WeakPolarHBondContact CG-OE2 3.34Å; E2217-E2272 WeakPolarHBondContact OE1-CA 3.28Å; E2217-E2272 WeakPolarHBondContact OE1-CB 3.33Å; E2217-E2272 PolarHBondContact OE1-N 3.33Å; E2217-E2272 PolarHBondContact OE2-N 2.63Å
2218	E	26	Very low	27.1	Very low	103 Å²	103	121.5 Å²	121.5	48%	0.481	64%	0.639	S	S	.	*			trans	44.8	61.2	163	-113.1	162.4	-147.1	0	0	117.7	N2271 E2272	E2218-N2271 VanDerWaalsContact CD-ND2 3.29Å; E2218-N2271 PolarHBondContact OE2-ND2 2.67Å; E2218-E2272 VanDerWaalsContact CA-OE2 3.32Å; E2218-E2272 WeakPolarHBondContact CA-OE2 3.27Å; E2218-E2272 PolarHBondContact N-OE2 3.3Å
2219	T	28.5	Very low	26.9	Very low	87 Å²	87	121 Å²	121	53%	0.534	63%	0.634	S	S	.	*				75.9	-155.4	87.1	67.5	0	0	0	0	111.8	E2272	T2219-E2272 WeakPolarHBondContact CG2-OE1 3.37Å
2220	N	28.2	Very low	27	Very low	97 Å²	97	122.9 Å²	122.9	52%	0.519	63%	0.633	S	S	.	*			trans	46.8	115.1	143.5	-72.5	-28.7	0	0	0	117.6
2221	R	28.5	Very low	27.1	Very low	188 Å²	188	124.1 Å²	124.1	71%	0.709	65%	0.648	S	S	*	*			cis	-170.5	155.1	26.8	-114.5	164.2	-146.1	169.5	13.2	110.8
2222	N	26.9	Very low	26.7	Very low	111 Å²	111	124.6 Å²	124.6	59%	0.594	65%	0.645	S	S	*	*			trans	72.8	147.2	136.5	-69.7	8.9	0	0	0	118.3
2223	E	26.7	Very low	26.7	Very low	145 Å²	145	121.6 Å²	121.6	68%	0.678	65%	0.645	S	S	*	*			cis	-157	177.4	-5.5	-129.7	152.2	179.8	0	0	112.3
2224	E	27	Very low	26.8	Very low	149 Å²	149	121.5 Å²	121.5	70%	0.696	65%	0.654	S	S	*	*			trans	65.5	112.9	146.1	-78.3	-166.8	171.2	0	0	120.2
2225	N	26.1	Very low	26.6	Very low	125 Å²	125	124.4 Å²	124.4	67%	0.668	66%	0.662	S	S	*	*				75.3	141.5	128.2	-56.7	-32	0	0	0	117.1
2226	L	28.7	Very low	26.4	Very low	156 Å²	156	123.7 Å²	123.7	82%	0.817	66%	0.656	S	S	*	*			cis	-142.7	151.7	34.2	-94.9	89.8	0	0	0	114.1
2227	V	31.2	Very low	26.3	Very low	109 Å²	109	127 Å²	127	66%	0.661	66%	0.659	S	S	*	*			trans	83.8	98.2	135.9	165.9	0	0	0	0	120.7
2228	T	30	Very low	26.2	Very low	112 Å²	112	130 Å²	130	69%	0.687	67%	0.673	S	S	*	*			trans	70.6	146.6	133.5	67.3	0	0	0	0	120.3
2229	K	27.5	Very low	26.1	Very low	146 Å²	146	130.3 Å²	130.3	64%	0.635	69%	0.686	S	S	*	*			cis	-163.8	149.5	-1.7	-120.9	174.6	-180	-73.7	0	110.7
2230	E	26.6	Very low	25.8	Very low	143 Å²	143	130.8 Å²	130.8	67%	0.668	69%	0.693	S	S	*	*			trans	38.4	149	134	-73.7	153.9	-150.3	0	0	121.7
2231	S	27.3	Very low	25.7	Very low	96 Å²	96	134.1 Å²	134.1	67%	0.671	71%	0.705	S	S	*	*			cis	-160.2	169.3	-10.7	71.1	0	0	0	0	107.3
2232	E	23.4	Very low	25.7	Very low	173 Å²	173	130.8 Å²	130.8	81%	0.808	70%	0.702	S	S	*	*			cis	78.5	137.1	19.9	-51.7	168.2	98.1	0	0	115.6
2233	G	25.4	Very low	25.7	Very low	67 Å²	67	131.6 Å²	131.6	69%	0.691	71%	0.71	S	S	*	*			trans	75.2	112.3	-174.9	0	0	0	0	0	112.9
2234	S	26.2	Very low	25.6	Very low	110 Å²	110	129.5 Å²	129.5	77%	0.769	71%	0.712	S	S	*	*			cis	54.2	112.8	49.8	88.9	0	0	0	0	114
2235	F	23.6	Very low	25.5	Very low	189 Å²	189	129 Å²	129	83%	0.829	71%	0.713	S	S	*	*				-168.8	175.5	123.1	-120	-94.7	0	0	0	110.9
2236	M	20.6	Very low	25.6	Very low	121 Å²	121	128.6 Å²	128.6	60%	0.596	72%	0.72	S	S	*	*			trans	-42.9	148.2	177.2	-71.4	160.5	102.9	0	0	117.6
2237	E	20.9	Very low	25.5	Very low	145 Å²	145	127.4 Å²	127.4	68%	0.678	71%	0.713	S	S	*	*				66.3	154.5	129	-64.5	165.3	-178.1	0	0	119.2
2238	E	21.6	Very low	25.3	Very low	159 Å²	159	130.5 Å²	130.5	74%	0.743	73%	0.725	S	S	*	*			cis	-157.1	171	-3	-133	-179.9	177.2	0	0	111.3
2239	S	22.5	Very low	25	Very low	108 Å²	108	132.2 Å²	132.2	76%	0.755	73%	0.725	S	S	*	*			trans	66.4	163.8	157.2	83	0	0	0	0	117
2240	S	22.2	Very low	24.8	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	73%	0.727	S	S	*	*			cis	-160.4	144.2	-34.5	47.4	0	0	0	0	104.9
2241	E	27.7	Very low	24.7	Very low	167 Å²	167	132.8 Å²	132.8	78%	0.78	74%	0.737	S	S	*	*	S	Bend		-160.9	152	64.5	-76.1	-172.7	151.4	0	0	108.6
2242	N	27.5	Very low	24.6	Very low	118 Å²	118	132.1 Å²	132.1	63%	0.631	73%	0.732	S	S	*	*			cis	-157.8	142.4	-3	-105.9	-32.5	0	0	0	110.6
2243	V	26.5	Very low	24.7	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	72%	0.724	S	S	*	*			trans	45.8	128.4	135.7	-176.4	0	0	0	0	118.9
2244	S	26	Very low	24.6	Very low	102 Å²	102	132 Å²	132	71%	0.713	73%	0.727	S	S	*	*			cis	-160.4	157.5	5.6	42.3	0	0	0	0	109.1
2245	L	24.8	Very low	24.6	Very low	139 Å²	139	133 Å²	133	73%	0.728	72%	0.723	S	S	*	*			cis	91.5	94.9	14.1	-148.4	176	0	0	0	116.6	I2247	L2245-I2247 HydrophobicContact CD2-CD1 3.59Å; L2245-I2247 HydrophobicContact CD2-CG1 3.9Å
2246	S	28.5	Very low	24.6	Very low	115 Å²	115	128 Å²	128	80%	0.804	71%	0.711	S	S	*	*			trans	-173.1	103.1	151.6	-76.6	0	0	0	0	107.5
2247	I	24.8	Very low	24.9	Very low	132 Å²	132	127.3 Å²	127.3	68%	0.677	71%	0.71	S	S	*	*				65.3	104.6	75.7	-60.7	171.3	0	0	0	113.2	L2245	L2245-I2247 HydrophobicContact CD2-CD1 3.59Å; L2245-I2247 HydrophobicContact CD2-CG1 3.9Å
2248	L	27.3	Very low	25.2	Very low	173 Å²	173	126.5 Å²	126.5	91%	0.906	71%	0.706	S	S	*	*				-147.1	149.8	117.1	-113.5	171.4	0	0	0	109.2
2249	Q	24.7	Very low	25.5	Very low	148 Å²	148	127.9 Å²	127.9	69%	0.692	71%	0.706	S	S	*	*			trans	-110.4	162.7	-169.9	-96.6	172.5	-80.6	0	0	111.6
2250	M	22.1	Very low	25.8	Very low	135 Å²	135	132 Å²	132	67%	0.665	71%	0.706	S	S	*	*			trans	46.7	116.6	145.3	-63	162	73.7	0	0	117.2
2251	D	25.7	Very low	26.1	Very low	167 Å²	167	133 Å²	133	89%	0.893	71%	0.708	S	S	*	*				-131.9	149.7	94.8	-116	-29.6	0	0	0	110.6
2252	S	24	Very low	26.1	Very low	81 Å²	81	132.4 Å²	132.4	57%	0.566	71%	0.71	S	S	*	*			trans	-135.9	166.4	-171.3	56.6	0	0	0	0	109.5
2253	A	25.7	Very low	26.1	Very low	77 Å²	77	132.6 Å²	132.6	64%	0.636	72%	0.715	S	S	*	*			trans	76.6	158.9	150.9	0	0	0	0	0	114.4
2254	Q	24.3	Very low	25.9	Very low	160 Å²	160	132 Å²	132	75%	0.748	71%	0.712	S	S	*	*			cis	-170	-178.1	-8	-135	172.4	-16.7	0	0	110.7
2255	I	25	Very low	25.7	Very low	133 Å²	133	134 Å²	134	68%	0.682	71%	0.713	S	S	*	*			trans	77.6	142.9	138.4	-84.8	161.2	0	0	0	118.5
2256	S	25.1	Very low	25.5	Very low	83 Å²	83	134 Å²	134	58%	0.58	71%	0.71	S	S	*	*			cis	-178.7	-159.8	-32.5	55	0	0	0	0	106.9
2257	D	26.9	Very low	25.3	Very low	107 Å²	107	135.6 Å²	135.6	57%	0.572	70%	0.702	S	S	*	*			cis	-164.8	166.7	6.1	-131.9	-42.1	0	0	0	113
2258	Q	25.7	Very low	25.5	Very low	127 Å²	127	136.4 Å²	136.4	59%	0.593	71%	0.707	S	S	*	*			trans	59.4	151	146.2	-77.9	145.9	39.1	0	0	119.5
2259	Y	28.1	Very low	25.3	Very low	189 Å²	189	134.7 Å²	134.7	74%	0.741	70%	0.699	S	S	*	*			cis	-157.3	161.4	49.2	-118.9	-73.7	0	0	0	116.7
2260	Y	28.3	Very low	25.2	Very low	194 Å²	194	133.1 Å²	133.1	76%	0.761	70%	0.703	S	S	*	*			trans	91	134.5	151.4	-102.7	-76.5	0	0	0	121
2261	V	28.5	Very low	25.3	Very low	119 Å²	119	131.1 Å²	131.1	72%	0.721	70%	0.695	S	S	*	*			trans	-130.3	138.4	176.1	167.8	0	0	0	0	106.8
2262	N	29.2	Very low	25.3	Very low	154 Å²	154	126.7 Å²	126.7	82%	0.824	67%	0.669	S	S	*	*			trans	-157.4	137.4	155.1	-116.5	-19.6	0	0	0	112.5
2263	T	28	Very low	25.5	Very low	121 Å²	121	128.4 Å²	128.4	74%	0.742	68%	0.676	S	S	*	*			trans	-95.5	165	170.2	-44.3	0	0	0	0	108.6
2264	V	21.1	Very low	25.7	Very low	117 Å²	117	129.9 Å²	129.9	71%	0.709	68%	0.682	S	S	*	*			trans	146.8	101.4	138.5	166.6	0	0	0	0	114
2265	I	21	Very low	25.8	Very low	143 Å²	143	127.7 Å²	127.7	73%	0.733	68%	0.684	S	S	*	*				65.7	129.7	126.2	-58.7	179.1	0	0	0	121.7
2266	E	21.7	Very low	25.9	Very low	140 Å²	140	126.5 Å²	126.5	65%	0.654	69%	0.688	S	S	*	*			trans	109	121.4	143.8	-97	-180	-172.1	0	0	123.6
2267	K	24.4	Very low	25.9	Very low	147 Å²	147	129.5 Å²	129.5	64%	0.639	70%	0.696	S	S	*	*			trans	57.4	101.6	146.8	-67.4	153.3	-169.8	161.1	0	117.1
2268	N	28.9	Very low	25.7	Very low	149 Å²	149	131.7 Å²	131.7	80%	0.797	70%	0.703	S	S	*	*				-147.9	140	62.5	-75.6	-45.2	0	0	0	114.7
2269	N	22.3	Very low	25.7	Very low	138 Å²	138	132.4 Å²	132.4	74%	0.738	71%	0.71	S	S	*	*				20.6	132.4	127.8	-61.2	5	0	0	0	121.6
2270	C	22.8	Very low	25.8	Very low	115 Å²	115	136.4 Å²	136.4	78%	0.777	74%	0.736	S	S	*	*			trans	70.4	137	157.5	-50.7	0	0	0	0	118.5
2271	N	24.1	Very low	25.6	Very low	92 Å²	92	133.5 Å²	133.5	49%	0.492	73%	0.734	S	S	.	*			cis	-149	-126.5	-38.1	-105.8	8.9	0	0	0	108.9	E2217 E2218	E2217-N2271 WeakPolarHBondContact OE2-CB 3.46Å; E2218-N2271 VanDerWaalsContact CD-ND2 3.29Å; E2218-N2271 PolarHBondContact OE2-ND2 2.67Å
2272	E	26.3	Very low	25.5	Very low	75 Å²	75	134.3 Å²	134.3	35%	0.35	74%	0.735	S	S	.	*			trans	-99.9	-167.2	-153	-55.5	174.5	83.3	0	0	117.6	E2217 E2218 T2219	E2217-E2272 VanDerWaalsContact CA-OE2 3.29Å; E2217-E2272 WeakPolarHBondContact CA-OE2 3.06Å; E2217-E2272 VanDerWaalsContact CB-OE2 3.25Å; E2217-E2272 WeakPolarHBondContact CB-OE2 3.35Å; E2217-E2272 HydrophobicContact CG-CB 3.99Å; E2217-E2272 HydrophobicContact CG-CG 4.37Å; E2217-E2272 WeakPolarHBondContact CG-OE2 3.34Å; E2217-E2272 WeakPolarHBondContact OE1-CA 3.28Å; E2217-E2272 WeakPolarHBondContact OE1-CB 3.33Å; E2217-E2272 PolarHBondContact OE1-N 3.33Å; E2217-E2272 PolarHBondContact OE2-N 2.63Å; E2218-E2272 VanDerWaalsContact CA-OE2 3.32Å; E2218-E2272 WeakPolarHBondContact CA-OE2 3.27Å; E2218-E2272 PolarHBondContact N-OE2 3.3Å; T2219-E2272 WeakPolarHBondContact CG2-OE1 3.37Å
2273	V	27.7	Very low	25.3	Very low	117 Å²	117	133.2 Å²	133.2	71%	0.709	73%	0.73	S	S	*	*			trans	60.3	113	157.4	-176.8	0	0	0	0	120.3
2274	S	31	Very low	25.1	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	73%	0.729	S	S	*	*			trans	60.3	82.5	145.9	-173.4	0	0	0	0	119.6
2275	S	26.1	Very low	25.4	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	73%	0.731	S	S	*	*				-178	121.9	118.3	41.1	0	0	0	0	113.1
2276	S	26.8	Very low	25.7	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	73%	0.731	S	S	*	*			trans	-179.1	138.6	155.4	-85	0	0	0	0	108.9
2277	I	25.1	Very low	26	Very low	146 Å²	146	134 Å²	134	75%	0.749	74%	0.736	S	S	*	*			cis	74.6	127.4	48.5	-64.9	168.9	0	0	0	110.7
2278	Q	23.7	Very low	26.1	Very low	153 Å²	153	133 Å²	133	72%	0.715	74%	0.743	S	S	*	*			cis	-168.7	162.8	-17	-155.8	168	-10	0	0	107.9
2279	N	25.8	Very low	25.9	Very low	141 Å²	141	131.7 Å²	131.7	75%	0.754	74%	0.739	S	S	*	*			trans	59.4	101.2	169.1	-54.8	-26.2	0	0	0	117.8
2280	Q	28.7	Very low	26.2	Very low	273 Å²	273	131.1 Å²	131.1	100%	1.276	74%	0.739	S	S	*	*				-157.6	0	112.7	-111	178.9	-0.6	0	0	111

Retrieved 2,280 of 2,280 residues in 526.4 ms (Link to these results)

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