A0A5K4FB04_SCHMA Loading...

Receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A5K4FB04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,326 aa.

						>A0A5K4FB04_SCHMA|A0A5K4FB04
MMIVKNKQIELNQSIKLNPDQDDHDVVEDVEDDQDDQDDELIHGNHLHEINYYKDNPKYENKIICKSKYTWRDISLPWKILMKNFNPNCTHILGNLIISGVDEDDDVTLLENIEEISGYLVIYGVGRKELRLSHLKLIKGHEWIIFKSRKVALLVVSNYKQNDLLSSSNVSSQSTSSVNDTGKQRYGLSHLQSLEMTSFISVVQHGIYFYDNPGLCYTPFTLKWDEMIESSELQTIDLYALHSNDNITLWLEYCQCKYLNKCMNIMNSNERSEEPSSINVSHILQSKHIYNELLKNTDDELKGRNIQKRDIHINSMNQSIVDAVNEFHQDDLNTTNLSSDEQTTHPMSQTENINKDPDPLNSNQIQSNSLSNNNEDTLEYQNMVQNDIFMPKIGSKLNEMYIDDNNLASDIIDDETTTAAMATPFENYTSSEVLNESYSTTTMDDTNISVTTNIETITPSNKISVLTTYSTIDLPSYENTTSSITVISNERIHDDNHTVKMNLSKIDNKSIMNYSMEYPSLPCHTSCPLIQGKRYCWGPGRDQCQAVHKCQIRLCEGSNWCFRTKSNEYYQKNLTYYKMNFITSSKEQCCHSECAASCYGPRARDCNACLRLSNRGVCTDSCPASKKYNKSTFSWVENPDGLLTFGMICVKSCPKTYLRDDDHCVSKCARPGYMTYQGECIPCPNSICPKICTLNEIESIKGIDYLHRKSLHAMENCTVFEGDIKLSMQSFIGDPFYNLSQIDEGVKWKDLIIGLSKLEYITGTLYISAGSHAPWMTNLTFLSNVKIIGGISPNIQQTRTVNINLNHHLEFLGMTSLQKLGHPSLLITGNPRLCYVDTIDWTSLLNDETFVDELHDKGTKISKLIKTFNTNLNNDSLAQIILRHKKDSKRKRPFKDSTIFVGGNAHFEFCKGRGAVCDELCQPHSGCWGPGRQFCTLCKYWSIENIDNGGRICMEHCEDLPGFYTPKLNDTHSNLEQMITDRSNIMIDVQNLSTAVYNNEINKSTTELINKYYSKENKIFSSAQCKKCSDMCSLQNQTCYGPNDDQCIGLCRFVQDGPFCRAYCPPNKYTDPITKKCMECSSTCTPPGDIENGNIYINNNLLNQKIENKLKYYCTGSGDWPGNGGCSFCKQTVLYLEPKNSNHHLKCVNSCPFGTYQHVINLHHRGGSSVDRQSTVSFNIKEQNSSMNRFTWSQTDANLFHNFPSKIIDEISLWLLNHTQPQLYGLAQICLPCNEQCHSEIISSRQSSLIGSSNVACYGPSPEQCVRCAYASYQGRCVSTCPSGTYPKKKSLRNFDPTLLNDYYIGYLPDNITSFECLSCHKECEIGCSGPTAEECTRCRHVKIYHDSQMKSWLCNNTCPDFSPFKIFDQKTGEIICSSDSINLHIIPYYNGQYSIENHLNSTILHNSYNNNIVTMATKNLNFLQNIHMMNYNNIWHYHYLSTQTAGLISSLSALFIMLLLLSLIIYWTIYKRSKYIRIEQYDTTINTTDNTTNTTGTNNNNNNKGNKSCFISLNKICEKFWTQGKPQLVIKKKKKEKNKEKRKKSKTFTIATKNHRSILNYKNNQLIKEKLLFHPLNWNHSLIPMNGSLLLDKDNKWMNNMDEEKSPTHSESLKPNMATLRIITESELIRGPLIGSGAFGTVYCGVWCPKFTRQKLDPINNDTYSTITNSTITPTSNVFNSKKFDWDKNTNGTETIPGGFNNDNYFNLHIPVAIKVLSDSADPQTNKELLEEAKVMATVDHPCCVRFLALCLTSKLQLITQYLPLGSLLEFIKIRWDFIEVNSLFQWSEQIASGMIYLSSRGIIHRDLAARNVLVQSKDQVQITDFGLAKCLDTTHSEYHASGGRMPIKWLAIECIQDRIFSSKSDVWAYGITLWEMCTFGHRPYENIHAKNLLDFLEKGNRLPQPETTSLDFYCLMLQCWQADPNLRPTFKELCSALCEMKATPNRYLFITPELRTSNFTNQDTSQNALEFLTSCLTDTTISLKSTHTNISSIQSYQQIYNDLNEYNNHSLLNQLNIEDYTQYTQMNYDWLNNLYVNSRINLLPEEYIQTLLNNYNYLIGINTTTDKTTTNTTDNTTNTTTDNTTTNTTDTTTNTTTDNTTTDNTTTNTTDNTTTNITDTTTTNITDNTTTNATNNTTNTTTDNTTTNTTDTTTNTTDTTTTNITDNTTTNATNNTTNTTHNTITNTSDNTTDTTTDNTTTNTDTTTNTTNTTANNNNNYIRFQNEINKVTLPNQYIDNININDPRDNSIHHCNDILIDAEETNRNEENLVTKESEGSFMEESSENVSLSILQMDSAQISDQYYVNTVIEKNNCNEVSSSIQNQ
					

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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	29.1	Very low	29	Very low	84 Å²	84	115.5 Å²	115.5	41%	0.414	57%	0.568	S	S	.	*				0	-40.3	0	-88.3	173.6	170.7	0	0	114.6	I3 V4 I74 Y123 F146 V156	M1-I3 PolarHBondContact O-N 3.33Å; M1-V4 PolarHBondContact O-N 3.32Å; M1-I74 HydrophobicContact CE-CD1 3.86Å; M1-Y123 HydrophobicContact CE-CD2 3.92Å; M1-Y123 HydrophobicContact CE-CE2 4.04Å; M1-Y123 HydrophobicContact SD-CD2 4.28Å; M1-Y123 HydrophobicContact SD-CE2 3.99Å; M1-F146 HydrophobicContact CE-CE2 4.05Å; M1-F146 HydrophobicContact CG-CE2 4.07Å; M1-F146 HydrophobicContact SD-CE2 3.97Å; M1-F146 HydrophobicContact SD-CZ 4.44Å; M1-V156 HydrophobicContact CE-CB 4.43Å; M1-V156 HydrophobicContact CE-CG1 4.25Å; M1-V156 HydrophobicContact SD-CB 4.32Å; M1-V156 HydrophobicContact SD-CG1 3.52Å; M1-V156 VanDerWaalsContact SD-CG1 3.52Å
2	M	23.3	Very low	29	Very low	164 Å²	164	115.8 Å²	115.8	81%	0.808	57%	0.573	S	S	*	*	H	α-helix	trans	-50.2	-32.6	-176.5	-83.4	-177.2	167.8	0	0	116.2	V4	M2-V4 VanDerWaalsContact C-N 3.28Å; M2-V4 PolarHBondContact O-N 3.46Å
3	I	27.8	Very low	29	Very low	68 Å²	68	119.5 Å²	119.5	35%	0.349	59%	0.588	S	S	.	*	H	α-helix	trans	-65.2	-27.7	178.8	-56	180	0	0	0	112.9	M1 E1626 S1755	M1-I3 PolarHBondContact O-N 3.33Å; I3-E1626 WeakPolarHBondContact CD1-OE2 3.18Å; I3-E1626 WeakPolarHBondContact CG1-OE2 3.41Å; I3-S1755 VanDerWaalsContact CD1-OG 3.29Å; I3-S1755 WeakPolarHBondContact CD1-OG 3.08Å
4	V	32	Very low	29	Very low	76 Å²	76	117.9 Å²	117.9	46%	0.461	60%	0.595	S	S	.	*	H	α-helix	trans	-71.2	-40.2	-176.1	-177.8	0	0	0	0	111.6	M1 M2 N6 K7 Q8	M1-V4 PolarHBondContact O-N 3.32Å; M2-V4 VanDerWaalsContact C-N 3.28Å; M2-V4 PolarHBondContact O-N 3.46Å; V4-N6 PolarHBondContact O-N 3.5Å; V4-N6 VanDerWaalsContact O-N 3.14Å; V4-K7 PolarHBondContact O-N 2.84Å; V4-Q8 PolarHBondContact O-N 2.89Å; V4-Q8 VanDerWaalsContact O-N 3.17Å
5	K	27.9	Very low	28.9	Very low	136 Å²	136	119.7 Å²	119.7	59%	0.591	60%	0.604	S	S	*	*	H	α-helix	trans	-62.9	-21.5	-177.8	-82.2	-171.2	172.7	-178.9	0	113.9	I9	K5-I9 WeakPolarHBondContact O-CG1 3.38Å
6	N	29	Very low	28.6	Very low	121 Å²	121	124.2 Å²	124.2	65%	0.647	62%	0.619	S	S	*	*	H	α-helix	trans	-82.7	-36.4	175.3	-77.3	3.6	0	0	0	113.4	V4 Q8 I9	V4-N6 PolarHBondContact O-N 3.5Å; V4-N6 VanDerWaalsContact O-N 3.14Å; N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 3.37Å; N6-I9 PolarHBondContact O-N 3.44Å
7	K	30.9	Very low	28.5	Very low	160 Å²	160	126.6 Å²	126.6	70%	0.696	63%	0.633	S	S	*	*	H	α-helix	trans	-74.7	-17.2	173.9	-82.3	-160.9	167.8	-166	0	113.7	V4 I9	V4-K7 PolarHBondContact O-N 2.84Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.25Å
8	Q	30.3	Very low	28.5	Very low	76 Å²	76	127.3 Å²	127.3	36%	0.355	64%	0.639	S	S	.	*	H	α-helix	trans	-83.1	-2.7	177.7	-147.5	159	21.9	0	0	113.6	V4 N6 N12 S75	V4-Q8 PolarHBondContact O-N 2.89Å; V4-Q8 VanDerWaalsContact O-N 3.17Å; N6-Q8 VanDerWaalsContact C-N 3.27Å; N6-Q8 PolarHBondContact O-N 3.37Å; Q8-N12 PolarHBondContact O-ND2 3.09Å; Q8-S75 VanDerWaalsContact NE2-CB 3.31Å; Q8-S75 PolarHBondContact NE2-OG 2.64Å
9	I	29.2	Very low	28.6	Very low	102 Å²	102	125.3 Å²	125.3	52%	0.523	64%	0.636	S	S	.	*	H	α-helix	trans	-90.3	-34.6	175.3	-68.4	169	0	0	0	111.2	K5 N6 K7	K5-I9 WeakPolarHBondContact O-CG1 3.38Å; N6-I9 PolarHBondContact O-N 3.44Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.25Å
10	E	29.1	Very low	28.5	Very low	150 Å²	150	126.3 Å²	126.3	70%	0.701	64%	0.643	S	S	*	*	H	α-helix	trans	-71.7	-33.7	176.5	-64.2	179.5	133.9	0	0	112.4	N12	E10-N12 VanDerWaalsContact C-N 3.28Å; E10-N12 PolarHBondContact O-N 2.97Å
11	L	30.3	Very low	28.6	Very low	134 Å²	134	128.4 Å²	128.4	70%	0.702	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-10.5	179	-133	76.5	0	0	0	114.5
12	N	28.9	Very low	28.7	Very low	118 Å²	118	130.4 Å²	130.4	63%	0.631	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	14.4	-176.6	-84.4	-54.3	0	0	0	113.7	Q8 E10	Q8-N12 PolarHBondContact O-ND2 3.09Å; E10-N12 VanDerWaalsContact C-N 3.28Å; E10-N12 PolarHBondContact O-N 2.97Å
13	Q	29.6	Very low	29.1	Very low	165 Å²	165	130.3 Å²	130.3	77%	0.771	67%	0.666	S	S	*	*	S	Bend	trans	-109	-0.8	176.3	-66.3	-169.1	-2.7	0	0	114.2
14	S	28.4	Very low	29.4	Very low	97 Å²	97	135.8 Å²	135.8	68%	0.678	69%	0.689	S	S	*	*	S	Bend	trans	-109.1	5.9	-179.1	52.5	0	0	0	0	115
15	I	27.3	Very low	29.3	Very low	144 Å²	144	139.2 Å²	139.2	74%	0.738	71%	0.705	S	S	*	*			trans	-125.7	83.1	177	-52.4	-179.2	0	0	0	109.9
16	K	24.4	Very low	29.2	Very low	192 Å²	192	138.2 Å²	138.2	84%	0.835	71%	0.71	S	S	*	*			trans	-150	147.9	163.1	-83.5	-167	175.1	-179.2	0	108.8
17	L	27.2	Very low	29.1	Very low	165 Å²	165	138 Å²	138	86%	0.864	71%	0.713	S	S	*	*			trans	71.1	129.5	-173.2	-44.9	170.4	0	0	0	111.8
18	N	28.1	Very low	29	Very low	139 Å²	139	137.9 Å²	137.9	74%	0.743	72%	0.715	S	S	*	*			cis	-146	154.6	-0.3	-119.7	26	0	0	0	111
19	P	30.2	Very low	28.8	Very low	89 Å²	89	141.1 Å²	141.1	58%	0.578	74%	0.735	S	S	*	*			trans	-82.1	179.8	160.6	38.4	-35.4	0	0	0	111.6
20	D	27.9	Very low	28.8	Very low	146 Å²	146	143 Å²	143	78%	0.781	75%	0.751	S	S	*	*			trans	70.7	113.2	163.5	-45.6	-34.4	0	0	0	118.4
21	Q	29.5	Very low	28.8	Very low	170 Å²	170	144 Å²	144	79%	0.794	76%	0.755	S	S	*	*				152.5	102.2	124.6	-74.1	-135	-100.6	0	0	113.6
22	D	30.7	Very low	28.7	Very low	126 Å²	126	144.8 Å²	144.8	67%	0.674	76%	0.76	S	S	*	*				37.3	126	126.8	-35.1	-46.7	0	0	0	121.4
23	D	32.7	Very low	28.7	Very low	163 Å²	163	146.7 Å²	146.7	87%	0.872	77%	0.77	S	S	*	*				-166	151.1	95.7	-103	-24	0	0	0	111.7
24	H	34.3	Very low	28.6	Very low	182 Å²	182	147 Å²	147	84%	0.843	77%	0.772	S	S	*	*			trans	-113.5	161.6	178.6	-99.2	-94.8	0	0	0	111.3
25	D	28.7	Very low	28.4	Very low	149 Å²	149	149.6 Å²	149.6	80%	0.797	78%	0.778	S	S	*	*			trans	153.8	146.8	146.1	-88.6	-4.1	0	0	0	113
26	V	26.8	Very low	28.5	Very low	115 Å²	115	150.7 Å²	150.7	70%	0.697	79%	0.786	S	S	*	*			cis	-167.5	161.6	-18.6	81.4	0	0	0	0	110.2
27	V	26.5	Very low	28.6	Very low	116 Å²	116	149.5 Å²	149.5	70%	0.703	78%	0.783	S	S	*	*			trans	66.7	155.6	162.9	157.7	0	0	0	0	118.5
28	E	29	Very low	29	Very low	158 Å²	158	150 Å²	150	74%	0.738	79%	0.787	S	S	*	*			cis	167.5	156.1	-41.6	-101.5	172.9	158.8	0	0	108.2
29	D	26.8	Very low	29	Very low	143 Å²	143	147.4 Å²	147.4	77%	0.765	77%	0.773	S	S	*	*			trans	54.1	122.1	163.4	-56.1	-13.7	0	0	0	122.4
30	V	29.1	Very low	28.7	Very low	143 Å²	143	149.5 Å²	149.5	87%	0.867	78%	0.775	S	S	*	*				-179	148.5	102.3	153.9	0	0	0	0	110.8
31	E	29.1	Very low	28.5	Very low	169 Å²	169	148.6 Å²	148.6	79%	0.79	77%	0.769	S	S	*	*			trans	-81.9	174.2	-162.8	-59.2	157.8	125.7	0	0	116.8
32	D	27.8	Very low	28.4	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	77%	0.769	S	S	*	*			trans	59.3	104.1	156.5	-63.7	-13	0	0	0	121
33	D	29.5	Very low	28.2	Very low	158 Å²	158	147.1 Å²	147.1	85%	0.845	76%	0.762	S	S	*	*				-165.3	167.9	95.8	-122.2	-31.4	0	0	0	112.2
34	Q	26	Very low	27.9	Very low	173 Å²	173	142.5 Å²	142.5	81%	0.808	75%	0.752	S	S	*	*			trans	-86.4	124.5	-161.9	-49.5	-179.1	-88.5	0	0	116
35	D	25.9	Very low	27.9	Very low	150 Å²	150	138.7 Å²	138.7	80%	0.802	74%	0.738	S	S	*	*	S	Bend		170.2	138	119.2	-88.8	-14.9	0	0	0	112.5
36	D	28.8	Very low	28.5	Very low	168 Å²	168	134.1 Å²	134.1	90%	0.898	71%	0.712	S	S	*	*			trans	43.4	75.8	168.2	-69.5	-10.9	0	0	0	119.1
37	Q	27	Very low	29	Very low	167 Å²	167	134 Å²	134	78%	0.78	71%	0.706	S	S	*	*			trans	-107.4	133.9	149.3	-84.3	-166.9	-91.6	0	0	111	D39	Q37-D39 PolarHBondContact NE2-OD2 3.42Å
38	D	34.4	Very low	29.8	Very low	175 Å²	175	133.9 Å²	133.9	94%	0.936	70%	0.698	S	S	*	*			trans	-154.9	142.2	141.7	-135.1	-16.8	0	0	0	108.7
39	D	27.7	Very low	30.9	Very low	85 Å²	85	127.2 Å²	127.2	46%	0.455	67%	0.667	S	S	.	*			trans	-129.9	178.4	-140.4	-132.6	-53.6	0	0	0	115.7	Q37	Q37-D39 PolarHBondContact NE2-OD2 3.42Å
40	E	24	Very low	32.4	Very low	132 Å²	132	122.2 Å²	122.2	62%	0.617	64%	0.64	S	S	*	*			trans	65.7	125.5	161.6	-61.5	-149.4	126.2	0	0	122.7	N871	E40-N871 PolarHBondContact OE1-ND2 2.71Å
41	L	24	Very low	34.1	Very low	128 Å²	128	118.1 Å²	118.1	67%	0.67	61%	0.613	S	S	*	*	S	Bend	trans	65.9	113.7	140	-63.3	165.6	0	0	0	120.1	H43	L41-H43 PolarHBondContact O-N 2.8Å; L41-H43 VanDerWaalsContact O-N 3.14Å
42	I	27.5	Very low	35.9	Very low	152 Å²	152	112.7 Å²	112.7	78%	0.779	59%	0.586	S	S	*	*	S	Bend	trans	77.7	-18.4	152.7	-55	169.5	0	0	0	117.5
43	H	26.7	Very low	37.9	Very low	113 Å²	113	106 Å²	106	52%	0.523	55%	0.549	S	S	.	.			trans	-114.7	-9	-162.5	-99.2	-89.1	0	0	0	121.7	L41 N45	L41-H43 PolarHBondContact O-N 2.8Å; L41-H43 VanDerWaalsContact O-N 3.14Å; H43-N45 PolarHBondContact O-N 2.86Å
44	G	25.8	Very low	39.9	Very low	65 Å²	65	103 Å²	103	67%	0.67	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-56.9	-51.9	-165.1	0	0	0	0	0	118.7	H46	G44-H46 VanDerWaalsContact C-N 3.32Å; G44-H46 PolarHBondContact O-N 3.37Å; G44-H46 VanDerWaalsContact O-N 3.17Å
45	N	33.8	Very low	42.1	Very low	102 Å²	102	100.8 Å²	100.8	55%	0.545	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-73	-10.3	-164.7	-84.7	-26.5	0	0	0	116.6	H43	H43-N45 PolarHBondContact O-N 2.86Å
46	H	41.6	Very low	44.7	Very low	53 Å²	53	94 Å²	94	25%	0.245	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-85	-22.4	-174.6	-72.2	-56.6	0	0	0	114.5	G44 H48 E49 K68	G44-H46 VanDerWaalsContact C-N 3.32Å; G44-H46 PolarHBondContact O-N 3.37Å; G44-H46 VanDerWaalsContact O-N 3.17Å; H46-H48 VanDerWaalsContact C-N 3.33Å; H46-H48 PolarHBondContact O-N 3.45Å; H46-E49 IonicContact CE1-OE2 3.68Å; H46-E49 IonicContact CG-OE2 3.9Å; H46-E49 IonicContact ND1-OE2 3.99Å; H46-E49 PolarHBondContact ND1-OE2 3.2Å; H46-E49 WeakPolarHBondContact O-CB 3.44Å; H46-E49 PolarHBondContact O-N 3.34Å; H46-K68 VanDerWaalsContact NE2-CE 3.26Å; H46-K68 WeakPolarHBondContact NE2-CE 3.47Å; H46-K68 PolarHBondContact NE2-NZ 2.84Å
47	L	38.6	Very low	47.1	Very low	112 Å²	112	89.5 Å²	89.5	59%	0.586	47%	0.466	S	S	*	.	H	α-helix	trans	-62.8	-38.4	-179.1	-82.3	158	0	0	0	112.6	E49 I50 N51	L47-E49 VanDerWaalsContact C-N 3.29Å; L47-E49 PolarHBondContact O-N 2.84Å; L47-I50 PolarHBondContact O-N 3.48Å; L47-N51 PolarHBondContact O-N 2.72Å
48	H	43.5	Very low	49.6	Very low	114 Å²	114	83.8 Å²	83.8	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-64.3	-32.5	178.7	-114.9	-51.1	0	0	0	112.8	H46 I50 Y52	H46-H48 VanDerWaalsContact C-N 3.33Å; H46-H48 PolarHBondContact O-N 3.45Å; H48-I50 VanDerWaalsContact C-N 3.31Å; H48-I50 PolarHBondContact O-N 3.32Å; H48-Y52 WeakPolarHBondContact O-CD2 3.18Å
49	E	52.2	Low	51.7	Low	19 Å²	19	75.9 Å²	75.9	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-66.7	-34.9	178.5	-51.5	-177.4	126	0	0	111.7	H46 L47 K66 Y657	H46-E49 IonicContact CE1-OE2 3.68Å; H46-E49 IonicContact CG-OE2 3.9Å; H46-E49 IonicContact ND1-OE2 3.99Å; H46-E49 PolarHBondContact ND1-OE2 3.2Å; H46-E49 WeakPolarHBondContact O-CB 3.44Å; H46-E49 PolarHBondContact O-N 3.34Å; L47-E49 VanDerWaalsContact C-N 3.29Å; L47-E49 PolarHBondContact O-N 2.84Å; E49-K66 IonicContact OE1-NZ 2.69Å; E49-K66 PolarHBondContact OE1-NZ 2.93Å; E49-K66 VanDerWaalsContact OE2-CD 3.22Å; E49-K66 WeakPolarHBondContact OE2-CD 3.45Å; E49-K66 IonicContact OE2-NZ 3.6Å; E49-K66 PolarHBondContact OE2-NZ 3.13Å; E49-Y657 HydrophobicContact CG-CE2 4.43Å; E49-Y657 WeakPolarHBondContact OE1-CE2 3.31Å
50	I	57.9	Low	53.8	Low	37 Å²	37	77.8 Å²	77.8	19%	0.19	40%	0.402	C	S	.	.	H	α-helix	trans	-77	-35.2	-177.7	-63.9	167.9	0	0	0	111.2	L47 H48 Y52 Y53 K54 I64	L47-I50 PolarHBondContact O-N 3.48Å; H48-I50 VanDerWaalsContact C-N 3.31Å; H48-I50 PolarHBondContact O-N 3.32Å; I50-Y52 PolarHBondContact O-N 3.48Å; I50-Y53 PolarHBondContact O-N 2.93Å; I50-Y53 VanDerWaalsContact O-N 3.09Å; I50-K54 PolarHBondContact O-N 2.96Å; I50-I64 HydrophobicContact CG2-CB 4.46Å
51	N	64.2	Low	56.2	Low	58 Å²	58	78.7 Å²	78.7	31%	0.31	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-39.9	-176.2	-71.6	-12.3	0	0	0	112.9	L47 Y53 K54 D55	L47-N51 PolarHBondContact O-N 2.72Å; N51-Y53 PolarHBondContact O-N 3.38Å; N51-K54 WeakPolarHBondContact O-CA 3.4Å; N51-K54 WeakPolarHBondContact O-CB 3.35Å; N51-K54 PolarHBondContact O-N 3.34Å; N51-K54 PolarHBondContact OD1-NZ 3.3Å; N51-K54 VanDerWaalsContact OD1-NZ 3.1Å; N51-D55 VanDerWaalsContact O-CG 3.26Å; N51-D55 PolarHBondContact O-N 2.89Å
52	Y	67.9	Low	58.8	Low	54 Å²	54	75.6 Å²	75.6	21%	0.212	39%	0.392	C	S	.	.	H	α-helix	trans	-55.5	-28.1	174.6	-79.3	-89.1	0	0	0	113.7	H48 I50 I648 V650 S652 P654	H48-Y52 WeakPolarHBondContact O-CD2 3.18Å; I50-Y52 PolarHBondContact O-N 3.48Å; Y52-I648 WeakPolarHBondContact O-CD1 3.49Å; Y52-V650 HydrophobicContact CD1-CB 4.17Å; Y52-V650 HydrophobicContact CD1-CG1 3.74Å; Y52-V650 HydrophobicContact CE1-CB 4.45Å; Y52-V650 HydrophobicContact CE1-CG1 4.48Å; Y52-V650 HydrophobicContact CG-CG1 4.48Å; Y52-S652 WeakPolarHBondContact CE1-O 3.02Å; Y52-P654 HydrophobicContact CD2-CB 4.23Å; Y52-P654 HydrophobicContact CD2-CG 3.8Å; Y52-P654 HydrophobicContact CE2-CB 3.7Å; Y52-P654 HydrophobicContact CE2-CG 3.65Å; Y52-P654 HydrophobicContact CG-CG 4.47Å
53	Y	69.9	Low	61.4	Low	11 Å²	11	71.6 Å²	71.6	4%	0.043	37%	0.372	C	S	.	.	H	α-helix	trans	-81.2	-36.3	174.2	-77.7	-101.4	0	0	0	112.8	I50 N51 D55 N56 Y59 I64 L93 F645 M647 I648	I50-Y53 PolarHBondContact O-N 2.93Å; I50-Y53 VanDerWaalsContact O-N 3.09Å; N51-Y53 PolarHBondContact O-N 3.38Å; Y53-D55 VanDerWaalsContact C-N 3.26Å; Y53-D55 PolarHBondContact O-N 3.38Å; Y53-N56 WeakPolarHBondContact O-CB 3.34Å; Y53-N56 PolarHBondContact O-N 3Å; Y53-N56 VanDerWaalsContact O-N 3.11Å; Y53-Y59 AromaticContact CD1-CD2 3.97Å; Y53-Y59 HydrophobicContact CD1-CD2 3.97Å; Y53-Y59 HydrophobicContact CD1-CE2 4.04Å; Y53-Y59 HydrophobicContact CE1-CE2 4.49Å; Y53-I64 HydrophobicContact CD1-CD1 4.1Å; Y53-I64 HydrophobicContact CG-CD1 3.89Å; Y53-L93 HydrophobicContact CD2-CD1 4.41Å; Y53-L93 HydrophobicContact CE1-CD2 4.24Å; Y53-L93 HydrophobicContact CE2-CD1 3.97Å; Y53-F645 HydrophobicContact CD2-CE1 4.11Å; Y53-F645 AromaticContact CE2-CD1 3.95Å; Y53-F645 HydrophobicContact CE2-CD1 3.95Å; Y53-F645 AromaticContact CE2-CE1 3.59Å; Y53-F645 HydrophobicContact CE2-CE1 3.59Å; Y53-F645 HydrophobicContact CE2-CZ 4.39Å; Y53-F645 PolarHBondContact OH-O 3.45Å; Y53-M647 HydrophobicContact CE1-CB 4.23Å; Y53-M647 PolarHBondContact OH-N 3.06Å; Y53-M647 VanDerWaalsContact OH-N 3.14Å; Y53-I648 HydrophobicContact CD1-CD1 4.24Å; Y53-I648 HydrophobicContact CD1-CG2 3.98Å; Y53-I648 HydrophobicContact CD2-CD1 3.97Å; Y53-I648 HydrophobicContact CE1-CD1 4.44Å; Y53-I648 HydrophobicContact CE1-CG1 4.29Å; Y53-I648 HydrophobicContact CE1-CG2 4.02Å; Y53-I648 HydrophobicContact CE2-CD1 4.16Å; Y53-I648 HydrophobicContact CE2-CG1 4.39Å; Y53-I648 HydrophobicContact CG-CD1 3.99Å
54	K	69.9	Low	63.9	Low	95 Å²	95	66.7 Å²	66.7	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-61.1	-37.5	173.5	-64.8	177	-178.5	161.8	0	111.6	I50 N51 N56	I50-K54 PolarHBondContact O-N 2.96Å; N51-K54 WeakPolarHBondContact O-CA 3.4Å; N51-K54 WeakPolarHBondContact O-CB 3.35Å; N51-K54 PolarHBondContact O-N 3.34Å; N51-K54 PolarHBondContact OD1-NZ 3.3Å; N51-K54 VanDerWaalsContact OD1-NZ 3.1Å; K54-N56 PolarHBondContact O-N 2.75Å
55	D	73.1	Confident	66.5	Low	127 Å²	127	64.2 Å²	64.2	68%	0.679	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-8.4	176.4	-59.3	-26.7	0	0	0	113.4	N51 Y53	N51-D55 VanDerWaalsContact O-CG 3.26Å; N51-D55 PolarHBondContact O-N 2.89Å; Y53-D55 VanDerWaalsContact C-N 3.26Å; Y53-D55 PolarHBondContact O-N 3.38Å
56	N	79.6	Confident	68.6	Low	7 Å²	7	63 Å²	63	4%	0.037	31%	0.311	C	S	.	.	S	Bend	trans	-99.7	120.2	175.8	-166.1	-53.2	0	0	0	110.2	Y53 K54 K58 Y59 E60 S613 G616 I648	Y53-N56 WeakPolarHBondContact O-CB 3.34Å; Y53-N56 PolarHBondContact O-N 3Å; Y53-N56 VanDerWaalsContact O-N 3.11Å; K54-N56 PolarHBondContact O-N 2.75Å; N56-K58 PolarHBondContact O-N 3.14Å; N56-K58 WeakPolarHBondContact OD1-CB 3.49Å; N56-K58 PolarHBondContact OD1-N 3.31Å; N56-K58 VanDerWaalsContact OD1-N 3.15Å; N56-Y59 HydrophobicContact CB-CD2 4.29Å; N56-Y59 PolarHBondContact O-N 3.21Å; N56-E60 PolarHBondContact O-N 3.45Å; N56-S613 PolarHBondContact ND2-O 2.89Å; N56-S613 PolarHBondContact ND2-OG 3.28Å; N56-S613 PolarHBondContact OD1-OG 3.36Å; N56-G616 PolarHBondContact OD1-N 3.14Å; N56-G616 VanDerWaalsContact OD1-N 3.16Å; N56-I648 HydrophobicContact CB-CG2 4.21Å; N56-I648 WeakPolarHBondContact ND2-CG2 3.49Å
57	P	80.6	Confident	70.3	Confident	73 Å²	73	61.3 Å²	61.3	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-14.2	179.7	-29.8	36	0	0	0	115.8	Y59	P57-Y59 VanDerWaalsContact C-N 3.35Å
58	K	79.4	Confident	72	Confident	48 Å²	48	62.6 Å²	62.6	21%	0.209	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.5	173.2	-168.4	64.7	-160.2	155.4	0	113.5	N56 C606 N607 S613	N56-K58 PolarHBondContact O-N 3.14Å; N56-K58 WeakPolarHBondContact OD1-CB 3.49Å; N56-K58 PolarHBondContact OD1-N 3.31Å; N56-K58 VanDerWaalsContact OD1-N 3.15Å; K58-C606 PolarHBondContact NZ-O 3.33Å; K58-N607 WeakPolarHBondContact CE-O 3.48Å; K58-N607 VanDerWaalsContact NZ-C 3.33Å; K58-N607 PolarHBondContact NZ-O 3.41Å; K58-S613 WeakPolarHBondContact CB-OG 3.45Å
59	Y	78	Confident	73.8	Confident	8 Å²	8	58.5 Å²	58.5	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	5.8	-174.5	-46.6	-79.1	0	0	0	113.9	Y53 N56 P57 N61 K62 H91 I648	Y53-Y59 AromaticContact CD1-CD2 3.97Å; Y53-Y59 HydrophobicContact CD1-CD2 3.97Å; Y53-Y59 HydrophobicContact CD1-CE2 4.04Å; Y53-Y59 HydrophobicContact CE1-CE2 4.49Å; N56-Y59 HydrophobicContact CB-CD2 4.29Å; N56-Y59 PolarHBondContact O-N 3.21Å; P57-Y59 VanDerWaalsContact C-N 3.35Å; Y59-N61 PolarHBondContact O-N 2.94Å; Y59-K62 WeakPolarHBondContact O-CB 3.35Å; Y59-K62 PolarHBondContact O-N 3.43Å; Y59-H91 AromaticContact CD1-CD2 3.92Å; Y59-H91 AromaticContact CD1-NE2 3.97Å; Y59-H91 AromaticContact CE1-CD2 3.9Å; Y59-I648 HydrophobicContact CD2-CG2 4.16Å; Y59-I648 HydrophobicContact CE2-CG2 3.64Å
60	E	71.1	Confident	75.3	Confident	126 Å²	126	60 Å²	60	59%	0.589	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.4	-38.5	-179.7	-175	176.6	177.8	0	0	114.3	N56	N56-E60 PolarHBondContact O-N 3.45Å
61	N	75	Confident	76.3	Confident	150 Å²	150	64.6 Å²	64.6	80%	0.802	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	27.7	178.7	-68.4	-75.6	0	0	0	113.4	Y59	Y59-N61 PolarHBondContact O-N 2.94Å
62	K	78.8	Confident	77.2	Confident	63 Å²	63	70.9 Å²	70.9	27%	0.274	33%	0.331	S	S	.	.			trans	-119.2	133.8	-176.9	-61	-57.3	-169.3	-178.7	0	112.1	Y59 E114	Y59-K62 WeakPolarHBondContact O-CB 3.35Å; Y59-K62 PolarHBondContact O-N 3.43Å; K62-E114 WeakPolarHBondContact CE-OE1 3.11Å; K62-E114 IonicContact NZ-OE1 3.69Å; K62-E114 PolarHBondContact NZ-OE1 2.77Å; K62-E114 IonicContact NZ-OE2 2.66Å; K62-E114 PolarHBondContact NZ-OE2 2.94Å
63	I	82.1	Confident	77.8	Confident	69 Å²	69	70.6 Å²	70.6	35%	0.354	33%	0.333	S	S	.	.			trans	-86.9	119.7	173.3	-64.3	174	0	0	0	108.5	N86 N88 T90 H91	I63-N86 HydrophobicContact CG2-CB 4.34Å; I63-N88 WeakPolarHBondContact CB-O 3.04Å; I63-N88 HydrophobicContact CD1-CB 3.61Å; I63-T90 PolarHBondContact N-OG1 2.86Å; I63-T90 VanDerWaalsContact N-OG1 3.08Å; I63-T90 PolarHBondContact O-N 3.37Å; I63-T90 PolarHBondContact O-OG1 3.42Å; I63-H91 PolarHBondContact O-N 3.1Å
64	I	80	Confident	78.4	Confident	10 Å²	10	71.4 Å²	71.4	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.1	-173.3	-55.2	170.3	0	0	0	109.2	I50 Y53 H91 L93	I50-I64 HydrophobicContact CG2-CB 4.46Å; Y53-I64 HydrophobicContact CD1-CD1 4.1Å; Y53-I64 HydrophobicContact CG-CD1 3.89Å; I64-H91 WeakPolarHBondContact CA-O 3.42Å; I64-H91 HydrophobicContact CG1-CB 4.12Å; I64-L93 HydrophobicContact CG2-CD1 3.63Å; I64-L93 HydrophobicContact CG2-CG 3.71Å
65	C	80.5	Confident	78.8	Confident	12 Å²	12	70.3 Å²	70.3	8%	0.081	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.5	179.3	-40.9	0	0	0	0	110.6	F85 C89 H91 I92 L93	C65-F85 HydrophobicContact CB-CD1 3.62Å; C65-F85 HydrophobicContact CB-CE1 3.79Å; C65-C89 HydrophobicContact CB-CB 4.33Å; C65-C89 WeakPolarHBondContact CB-SG 3.44Å; C65-C89 WeakPolarHBondContact SG-CB 3.19Å; C65-C89 CovalentContact SG-SG 2.03Å; C65-C89 PolarHBondContact SG-SG 3.47Å; C65-H91 PolarHBondContact N-O 2.77Å; C65-I92 WeakPolarHBondContact O-CA 3.29Å; C65-L93 PolarHBondContact O-N 3.04Å
66	K	77.1	Confident	79.2	Confident	77 Å²	77	66.8 Å²	66.8	34%	0.335	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.3	178.5	-172.9	167.8	177.9	169.2	0	109.9	E49 L93 Y657	E49-K66 IonicContact OE1-NZ 2.69Å; E49-K66 PolarHBondContact OE1-NZ 2.93Å; E49-K66 VanDerWaalsContact OE2-CD 3.22Å; E49-K66 WeakPolarHBondContact OE2-CD 3.45Å; E49-K66 IonicContact OE2-NZ 3.6Å; E49-K66 PolarHBondContact OE2-NZ 3.13Å; K66-L93 WeakPolarHBondContact CA-O 3.34Å; K66-Y657 PolarHBondContact NZ-OH 2.62Å; K66-Y657 VanDerWaalsContact NZ-OH 3.14Å
67	S	78	Confident	79.3	Confident	17 Å²	17	69.2 Å²	69.2	12%	0.119	34%	0.339	C	S	.	.			trans	-74.5	143.3	175.1	-168.7	0	0	0	0	110.8	Y69 L93 N95	S67-Y69 PolarHBondContact OG-N 2.71Å; S67-L93 PolarHBondContact N-O 3.01Å; S67-N95 WeakPolarHBondContact CB-O 3.46Å; S67-N95 PolarHBondContact OG-O 2.95Å
68	K	74	Confident	79.6	Confident	139 Å²	139	66.1 Å²	66.1	60%	0.604	32%	0.318	S	S	*	.			trans	-110.1	-1.5	169.2	-66.1	-178.1	178.6	178.2	0	112.3	H46	H46-K68 VanDerWaalsContact NE2-CE 3.26Å; H46-K68 WeakPolarHBondContact NE2-CE 3.47Å; H46-K68 PolarHBondContact NE2-NZ 2.84Å
69	Y	81.2	Confident	79.7	Confident	29 Å²	29	70.8 Å²	70.8	11%	0.114	34%	0.338	C	S	.	.			trans	-96	151.4	-171.7	-53.7	-72.6	0	0	0	112.6	S67 D73 L76 I80 L81 N84 F85	S67-Y69 PolarHBondContact OG-N 2.71Å; Y69-D73 HydrophobicContact CD1-CB 4.34Å; Y69-L76 HydrophobicContact CE1-CD1 4.36Å; Y69-I80 PolarHBondContact OH-O 3Å; Y69-L81 HydrophobicContact CD1-CD2 3.68Å; Y69-L81 HydrophobicContact CD2-CD2 4.23Å; Y69-L81 HydrophobicContact CE1-CD2 3.97Å; Y69-L81 HydrophobicContact CE2-CD2 4.48Å; Y69-L81 WeakPolarHBondContact CE2-O 3.36Å; Y69-L81 HydrophobicContact CG-CD2 3.82Å; Y69-L81 PolarHBondContact OH-O 3.41Å; Y69-L81 VanDerWaalsContact OH-O 3.12Å; Y69-N84 PolarHBondContact OH-ND2 3.04Å; Y69-F85 HydrophobicContact CD2-CE2 4.1Å; Y69-F85 AromaticContact CE2-CE2 3.94Å; Y69-F85 HydrophobicContact CE2-CE2 3.94Å
70	T	83.6	Confident	79.9	Confident	49 Å²	49	74.4 Å²	74.4	30%	0.301	36%	0.358	S	S	.	.			trans	-129	172.8	-179.5	72.5	0	0	0	0	110.3	R72 D73 Y119	T70-R72 PolarHBondContact O-N 3.05Å; T70-R72 WeakPolarHBondContact OG1-CB 3.41Å; T70-R72 PolarHBondContact OG1-N 3.37Å; T70-D73 WeakPolarHBondContact CA-OD2 2.93Å; T70-D73 WeakPolarHBondContact CB-OD2 3.18Å; T70-D73 PolarHBondContact N-OD2 2.99Å; T70-D73 WeakPolarHBondContact O-CB 3.4Å; T70-D73 PolarHBondContact O-N 2.91Å; T70-D73 VanDerWaalsContact O-OD2 3.13Å; T70-D73 PolarHBondContact OG1-OD2 3.38Å; T70-Y119 WeakPolarHBondContact CA-OH 3.41Å
71	W	79.2	Confident	80.4	Confident	134 Å²	134	68.5 Å²	68.5	51%	0.508	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-59.9	-16.4	172.8	74.3	-91.8	0	0	0	114.5	D73 I74 Y119 I144	W71-D73 PolarHBondContact O-N 3.41Å; W71-I74 WeakPolarHBondContact O-CB 3.03Å; W71-I74 VanDerWaalsContact O-CG2 3.3Å; W71-I74 WeakPolarHBondContact O-CG2 3.34Å; W71-Y119 HydrophobicContact CB-CE2 4.24Å; W71-Y119 PolarHBondContact N-OH 3.05Å; W71-I144 HydrophobicContact CB-CG2 3.8Å; W71-I144 HydrophobicContact CG-CG2 3.81Å
72	R	81.5	Confident	80.6	Confident	190 Å²	190	62.5 Å²	62.5	72%	0.717	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-69.7	-26.9	174.1	-60.4	179.6	176.8	178.6	-0.4	111.7	T70 I74	T70-R72 PolarHBondContact O-N 3.05Å; T70-R72 WeakPolarHBondContact OG1-CB 3.41Å; T70-R72 PolarHBondContact OG1-N 3.37Å; R72-I74 PolarHBondContact O-N 3.44Å
73	D	82.2	Confident	80.5	Confident	49 Å²	49	67.8 Å²	67.8	26%	0.262	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-84.1	7.1	-176.9	-50.9	-76.3	0	0	0	112.6	Y69 T70 W71 S75 L76	Y69-D73 HydrophobicContact CD1-CB 4.34Å; T70-D73 WeakPolarHBondContact CA-OD2 2.93Å; T70-D73 WeakPolarHBondContact CB-OD2 3.18Å; T70-D73 PolarHBondContact N-OD2 2.99Å; T70-D73 WeakPolarHBondContact O-CB 3.4Å; T70-D73 PolarHBondContact O-N 2.91Å; T70-D73 VanDerWaalsContact O-OD2 3.13Å; T70-D73 PolarHBondContact OG1-OD2 3.38Å; W71-D73 PolarHBondContact O-N 3.41Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-L76 HydrophobicContact CB-CD1 4.09Å; D73-L76 HydrophobicContact CB-CG 4.46Å; D73-L76 WeakPolarHBondContact O-CB 3.46Å; D73-L76 WeakPolarHBondContact O-CG 3.29Å; D73-L76 PolarHBondContact O-N 3.14Å
74	I	81	Confident	79.9	Confident	28 Å²	28	69.4 Å²	69.4	14%	0.144	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-59.8	-13.5	-179.8	-159.4	173.5	0	0	0	114.3	M1 W71 R72 S99 V121 Y123	M1-I74 HydrophobicContact CE-CD1 3.86Å; W71-I74 WeakPolarHBondContact O-CB 3.03Å; W71-I74 VanDerWaalsContact O-CG2 3.3Å; W71-I74 WeakPolarHBondContact O-CG2 3.34Å; R72-I74 PolarHBondContact O-N 3.44Å; I74-S99 WeakPolarHBondContact O-CB 3.34Å; I74-S99 PolarHBondContact O-OG 2.68Å; I74-V121 HydrophobicContact CD1-CG1 3.85Å; I74-V121 HydrophobicContact CG1-CG1 4.48Å; I74-Y123 HydrophobicContact CD1-CD1 3.92Å; I74-Y123 HydrophobicContact CD1-CD2 4.01Å; I74-Y123 HydrophobicContact CD1-CG 3.63Å; I74-Y123 HydrophobicContact CG1-CD1 3.62Å; I74-Y123 HydrophobicContact CG1-CE1 4.25Å; I74-Y123 HydrophobicContact CG1-CG 3.83Å
75	S	78.8	Confident	79.7	Confident	72 Å²	72	70 Å²	70	50%	0.503	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.4	-5.5	172	52.7	0	0	0	0	114.7	Q8 D73	Q8-S75 VanDerWaalsContact NE2-CB 3.31Å; Q8-S75 PolarHBondContact NE2-OG 2.64Å; D73-S75 PolarHBondContact O-N 2.86Å
76	L	81.5	Confident	79.7	Confident	52 Å²	52	73.2 Å²	73.2	27%	0.272	35%	0.348	S	S	.	.	S	Bend	trans	-79.2	131	172.1	-58.9	-178.2	0	0	0	109.5	Y69 D73 I80 L81 S99	Y69-L76 HydrophobicContact CE1-CD1 4.36Å; D73-L76 HydrophobicContact CB-CD1 4.09Å; D73-L76 HydrophobicContact CB-CG 4.46Å; D73-L76 WeakPolarHBondContact O-CB 3.46Å; D73-L76 WeakPolarHBondContact O-CG 3.29Å; D73-L76 PolarHBondContact O-N 3.14Å; L76-I80 HydrophobicContact CB-CB 4.47Å; L76-I80 HydrophobicContact CB-CG2 4.48Å; L76-I80 HydrophobicContact CD1-CG2 4.13Å; L76-I80 HydrophobicContact CD2-CG2 4.49Å; L76-L81 HydrophobicContact CB-CD2 3.97Å; L76-L81 HydrophobicContact CB-CG 4.02Å; L76-L81 HydrophobicContact CD1-CD2 4.12Å; L76-L81 WeakPolarHBondContact O-CD1 3.5Å; L76-S99 WeakPolarHBondContact O-CB 3.36Å
77	P	82.9	Confident	79.6	Confident	59 Å²	59	73.3 Å²	73.3	38%	0.383	36%	0.357	S	S	.	.			trans	-70.2	154.1	172.9	30.1	-35.2	0	0	0	111.2	K79 I80 L81	P77-K79 PolarHBondContact O-N 3.09Å; P77-K79 VanDerWaalsContact O-N 3.07Å; P77-I80 HydrophobicContact CG-CD1 4.15Å; P77-I80 HydrophobicContact CG-CG1 4.18Å; P77-I80 PolarHBondContact O-N 2.97Å; P77-L81 PolarHBondContact O-N 3.11Å
78	W	86.9	Confident	79.9	Confident	8 Å²	8	76.9 Å²	76.9	3%	0.03	37%	0.374	C	S	.	.	H	α-helix	trans	-38.8	-46.9	177.2	178.4	-108.1	0	0	0	114.8	I80 L81 M82 I98 S99 V101 D106 V107 L110	W78-I80 PolarHBondContact O-N 3.31Å; W78-I80 VanDerWaalsContact O-N 3.13Å; W78-L81 PolarHBondContact O-N 3.27Å; W78-L81 VanDerWaalsContact O-N 3.12Å; W78-M82 HydrophobicContact CD2-CG 3.58Å; W78-M82 HydrophobicContact CD2-SD 4.36Å; W78-M82 VanDerWaalsContact CE2-CG 3.46Å; W78-M82 HydrophobicContact CE3-CG 3.62Å; W78-M82 HydrophobicContact CE3-SD 3.77Å; W78-M82 HydrophobicContact CG-CG 4.35Å; W78-M82 HydrophobicContact CH2-CE 4.1Å; W78-M82 HydrophobicContact CH2-CG 3.44Å; W78-M82 VanDerWaalsContact CH2-CG 3.44Å; W78-M82 HydrophobicContact CH2-SD 3.68Å; W78-M82 HydrophobicContact CZ2-CG 3.42Å; W78-M82 VanDerWaalsContact CZ2-CG 3.42Å; W78-M82 HydrophobicContact CZ2-SD 4.3Å; W78-M82 HydrophobicContact CZ3-CE 4.27Å; W78-M82 HydrophobicContact CZ3-CG 3.55Å; W78-M82 HydrophobicContact CZ3-SD 3.39Å; W78-M82 WeakPolarHBondContact CZ3-SD 3.38Å; W78-M82 PolarHBondContact O-N 3Å; W78-I98 HydrophobicContact CE3-CG2 4.15Å; W78-I98 HydrophobicContact CZ3-CB 4.48Å; W78-I98 HydrophobicContact CZ3-CG1 4.14Å; W78-I98 HydrophobicContact CZ3-CG2 4.17Å; W78-S99 PolarHBondContact N-O 3.38Å; W78-V101 HydrophobicContact CB-CG2 3.82Å; W78-V101 HydrophobicContact CD2-CG2 4Å; W78-V101 HydrophobicContact CE3-CG2 4.13Å; W78-V101 HydrophobicContact CG-CG2 3.88Å; W78-D106 PolarHBondContact NE1-O 3.18Å; W78-V107 HydrophobicContact CZ2-CB 4.18Å; W78-V107 HydrophobicContact CZ2-CG1 4.03Å; W78-L110 HydrophobicContact CH2-CD1 3.97Å; W78-L110 HydrophobicContact CH2-CD2 3.53Å; W78-L110 HydrophobicContact CH2-CG 3.57Å; W78-L110 HydrophobicContact CZ2-CD1 4.49Å; W78-L110 HydrophobicContact CZ2-CG 4.16Å; W78-L110 HydrophobicContact CZ3-CD1 4.44Å; W78-L110 HydrophobicContact CZ3-CD2 4.06Å; W78-L110 HydrophobicContact CZ3-CG 4.38Å
79	K	81.2	Confident	80.4	Confident	145 Å²	145	70.2 Å²	70.2	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-56.3	-27.9	178.4	-58.9	-176.7	-176	-179.2	0	114.4	P77 D105	P77-K79 PolarHBondContact O-N 3.09Å; P77-K79 VanDerWaalsContact O-N 3.07Å; K79-D105 WeakPolarHBondContact CE-OD1 3.49Å; K79-D105 WeakPolarHBondContact CG-OD1 3.39Å; K79-D105 IonicContact NZ-OD1 3.54Å
80	I	82.1	Confident	80.7	Confident	85 Å²	85	69.9 Å²	69.9	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-87.4	-44.9	175.5	-61.2	-175.5	0	0	0	110.4	Y69 L76 P77 W78 M82 K83	Y69-I80 PolarHBondContact OH-O 3Å; L76-I80 HydrophobicContact CB-CB 4.47Å; L76-I80 HydrophobicContact CB-CG2 4.48Å; L76-I80 HydrophobicContact CD1-CG2 4.13Å; L76-I80 HydrophobicContact CD2-CG2 4.49Å; P77-I80 HydrophobicContact CG-CD1 4.15Å; P77-I80 HydrophobicContact CG-CG1 4.18Å; P77-I80 PolarHBondContact O-N 2.97Å; W78-I80 PolarHBondContact O-N 3.31Å; W78-I80 VanDerWaalsContact O-N 3.13Å; I80-M82 VanDerWaalsContact C-N 3.28Å; I80-M82 PolarHBondContact O-N 2.84Å; I80-K83 PolarHBondContact O-N 3.36Å
81	L	81.2	Confident	80.9	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-40.9	-179	-67.1	169.9	0	0	0	111.6	Y69 L76 P77 W78 I97	Y69-L81 HydrophobicContact CD1-CD2 3.68Å; Y69-L81 HydrophobicContact CD2-CD2 4.23Å; Y69-L81 HydrophobicContact CE1-CD2 3.97Å; Y69-L81 HydrophobicContact CE2-CD2 4.48Å; Y69-L81 WeakPolarHBondContact CE2-O 3.36Å; Y69-L81 HydrophobicContact CG-CD2 3.82Å; Y69-L81 PolarHBondContact OH-O 3.41Å; Y69-L81 VanDerWaalsContact OH-O 3.12Å; L76-L81 HydrophobicContact CB-CD2 3.97Å; L76-L81 HydrophobicContact CB-CG 4.02Å; L76-L81 HydrophobicContact CD1-CD2 4.12Å; L76-L81 WeakPolarHBondContact O-CD1 3.5Å; P77-L81 PolarHBondContact O-N 3.11Å; W78-L81 PolarHBondContact O-N 3.27Å; W78-L81 VanDerWaalsContact O-N 3.12Å; L81-I97 HydrophobicContact CD1-CB 4.27Å; L81-I97 HydrophobicContact CD1-CG2 4.05Å
82	M	80.1	Confident	81.2	Confident	24 Å²	24	62 Å²	62	12%	0.118	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-89.8	-6.5	-174.1	-51.8	-30.7	-67.8	0	0	115.2	W78 I80 N84 F85 L96 L109	W78-M82 HydrophobicContact CD2-CG 3.58Å; W78-M82 HydrophobicContact CD2-SD 4.36Å; W78-M82 VanDerWaalsContact CE2-CG 3.46Å; W78-M82 HydrophobicContact CE3-CG 3.62Å; W78-M82 HydrophobicContact CE3-SD 3.77Å; W78-M82 HydrophobicContact CG-CG 4.35Å; W78-M82 HydrophobicContact CH2-CE 4.1Å; W78-M82 HydrophobicContact CH2-CG 3.44Å; W78-M82 VanDerWaalsContact CH2-CG 3.44Å; W78-M82 HydrophobicContact CH2-SD 3.68Å; W78-M82 HydrophobicContact CZ2-CG 3.42Å; W78-M82 VanDerWaalsContact CZ2-CG 3.42Å; W78-M82 HydrophobicContact CZ2-SD 4.3Å; W78-M82 HydrophobicContact CZ3-CE 4.27Å; W78-M82 HydrophobicContact CZ3-CG 3.55Å; W78-M82 HydrophobicContact CZ3-SD 3.39Å; W78-M82 WeakPolarHBondContact CZ3-SD 3.38Å; W78-M82 PolarHBondContact O-N 3Å; I80-M82 VanDerWaalsContact C-N 3.28Å; I80-M82 PolarHBondContact O-N 2.84Å; M82-N84 PolarHBondContact O-N 3.31Å; M82-F85 HydrophobicContact CE-CB 3.99Å; M82-F85 HydrophobicContact CE-CD1 4.35Å; M82-F85 HydrophobicContact CE-CD2 3.53Å; M82-F85 HydrophobicContact CE-CE2 4.03Å; M82-F85 HydrophobicContact CE-CG 3.71Å; M82-F85 PolarHBondContact O-N 2.97Å; M82-F85 VanDerWaalsContact O-N 3.09Å; M82-F85 HydrophobicContact SD-CD2 4.5Å; M82-L96 HydrophobicContact CE-CD1 4.45Å; M82-L109 HydrophobicContact CB-CD2 4.41Å; M82-L109 HydrophobicContact CE-CD2 3.37Å; M82-L109 HydrophobicContact CE-CG 4.43Å; M82-L109 HydrophobicContact CG-CD2 4.44Å
83	K	76.1	Confident	81.2	Confident	175 Å²	175	55 Å²	55	76%	0.761	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.5	-178.3	-174.2	175.7	178.4	-177.1	0	113.9	I80	I80-K83 PolarHBondContact O-N 3.36Å
84	N	69.4	Low	81.1	Confident	102 Å²	102	53.1 Å²	53.1	55%	0.545	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-110.1	8.7	-174	-55.9	-32.7	0	0	0	113.9	Y69 M82	Y69-N84 PolarHBondContact OH-ND2 3.04Å; M82-N84 PolarHBondContact O-N 3.31Å
85	F	75.6	Confident	81.5	Confident	24 Å²	24	52 Å²	52	11%	0.105	28%	0.276	C	S	.	.	S	Bend	trans	-100.9	142.9	177	-84.6	-95.2	0	0	0	111.3	C65 Y69 M82 I92 L109	C65-F85 HydrophobicContact CB-CD1 3.62Å; C65-F85 HydrophobicContact CB-CE1 3.79Å; Y69-F85 HydrophobicContact CD2-CE2 4.1Å; Y69-F85 AromaticContact CE2-CE2 3.94Å; Y69-F85 HydrophobicContact CE2-CE2 3.94Å; M82-F85 HydrophobicContact CE-CB 3.99Å; M82-F85 HydrophobicContact CE-CD1 4.35Å; M82-F85 HydrophobicContact CE-CD2 3.53Å; M82-F85 HydrophobicContact CE-CE2 4.03Å; M82-F85 HydrophobicContact CE-CG 3.71Å; M82-F85 PolarHBondContact O-N 2.97Å; M82-F85 VanDerWaalsContact O-N 3.09Å; M82-F85 HydrophobicContact SD-CD2 4.5Å; F85-I92 HydrophobicContact CE1-CD1 3.87Å; F85-I92 HydrophobicContact CE1-CG1 4.07Å; F85-I92 HydrophobicContact CE1-CG2 4.34Å; F85-I92 HydrophobicContact CZ-CD1 4.46Å; F85-L109 HydrophobicContact CB-CD2 3.83Å
86	N	80	Confident	82.2	Confident	79 Å²	79	48.8 Å²	48.8	42%	0.422	25%	0.252	S	S	.	.			trans	-68.8	130.4	169.9	-175.1	-55.3	0	0	0	109.1	I63 N88 C89 L109	I63-N86 HydrophobicContact CG2-CB 4.34Å; N86-N88 PolarHBondContact O-N 2.91Å; N86-N88 VanDerWaalsContact O-N 3.15Å; N86-N88 WeakPolarHBondContact OD1-CB 3.48Å; N86-N88 PolarHBondContact OD1-N 3.47Å; N86-C89 WeakPolarHBondContact O-CB 3.25Å; N86-C89 PolarHBondContact O-N 3.12Å; N86-L109 VanDerWaalsContact O-CD1 3.26Å; N86-L109 WeakPolarHBondContact O-CD1 3.21Å
87	P	76.3	Confident	82.6	Confident	78 Å²	78	46.5 Å²	46.5	51%	0.506	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-24	-177.2	24.1	-34.6	0	0	0	113.8	C89 L109 N112	P87-C89 VanDerWaalsContact C-N 3.31Å; P87-C89 PolarHBondContact O-N 3.16Å; P87-L109 WeakPolarHBondContact O-CD1 3.27Å; P87-N112 PolarHBondContact O-ND2 3.29Å
88	N	82.7	Confident	83	Confident	92 Å²	92	43.7 Å²	43.7	49%	0.492	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	25.1	177.5	-59.7	-28.1	0	0	0	112.4	I63 N86 T90	I63-N88 WeakPolarHBondContact CB-O 3.04Å; I63-N88 HydrophobicContact CD1-CB 3.61Å; N86-N88 PolarHBondContact O-N 2.91Å; N86-N88 VanDerWaalsContact O-N 3.15Å; N86-N88 WeakPolarHBondContact OD1-CB 3.48Å; N86-N88 PolarHBondContact OD1-N 3.47Å; N88-T90 PolarHBondContact O-N 3.22Å
89	C	85.4	Confident	83.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.223	C	C	.	.			trans	-65.2	128.1	-176.4	-157.3	0	0	0	0	112.7	C65 N86 P87 L109 N112	C65-C89 HydrophobicContact CB-CB 4.33Å; C65-C89 WeakPolarHBondContact CB-SG 3.44Å; C65-C89 WeakPolarHBondContact SG-CB 3.19Å; C65-C89 CovalentContact SG-SG 2.03Å; C65-C89 PolarHBondContact SG-SG 3.47Å; N86-C89 WeakPolarHBondContact O-CB 3.25Å; N86-C89 PolarHBondContact O-N 3.12Å; P87-C89 VanDerWaalsContact C-N 3.31Å; P87-C89 PolarHBondContact O-N 3.16Å; C89-L109 HydrophobicContact CB-CD1 3.55Å; C89-N112 CarbonylContact O-C 3.35Å; C89-N112 VanDerWaalsContact O-C 3.28Å; C89-N112 VanDerWaalsContact O-CB 3.31Å; C89-N112 WeakPolarHBondContact O-CB 3.28Å
90	T	87.3	Confident	83.2	Confident	22 Å²	22	37.3 Å²	37.3	14%	0.135	20%	0.199	C	C	.	.			trans	-108.6	-28.6	178	66.7	0	0	0	0	113.4	I63 N88 N112 E114 E115	I63-T90 PolarHBondContact N-OG1 2.86Å; I63-T90 VanDerWaalsContact N-OG1 3.08Å; I63-T90 PolarHBondContact O-N 3.37Å; I63-T90 PolarHBondContact O-OG1 3.42Å; N88-T90 PolarHBondContact O-N 3.22Å; T90-N112 WeakPolarHBondContact CA-O 3.32Å; T90-E114 WeakPolarHBondContact O-CA 3.28Å; T90-E114 PolarHBondContact O-N 2.88Å; T90-E115 PolarHBondContact O-N 3.08Å
91	H	87.3	Confident	83.4	Confident	15 Å²	15	33.3 Å²	33.3	7%	0.069	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.4	-175.2	-71.2	61	0	0	0	109.9	Y59 I63 I64 C65 E115	Y59-H91 AromaticContact CD1-CD2 3.92Å; Y59-H91 AromaticContact CD1-NE2 3.97Å; Y59-H91 AromaticContact CE1-CD2 3.9Å; I63-H91 PolarHBondContact O-N 3.1Å; I64-H91 WeakPolarHBondContact CA-O 3.42Å; I64-H91 HydrophobicContact CG1-CB 4.12Å; C65-H91 PolarHBondContact N-O 2.77Å; H91-E115 IonicContact CD2-OE2 3.85Å; H91-E115 IonicContact NE2-OE2 2.71Å
92	I	85.9	Confident	83.4	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114.2	178.8	-61.6	-175.7	0	0	0	110.3	C65 F85 L96 I113 E115 I116 S117	C65-I92 WeakPolarHBondContact O-CA 3.29Å; F85-I92 HydrophobicContact CE1-CD1 3.87Å; F85-I92 HydrophobicContact CE1-CG1 4.07Å; F85-I92 HydrophobicContact CE1-CG2 4.34Å; F85-I92 HydrophobicContact CZ-CD1 4.46Å; I92-L96 HydrophobicContact CD1-CB 4.16Å; I92-L96 HydrophobicContact CD1-CD1 3.94Å; I92-L96 HydrophobicContact CD1-CD2 4.19Å; I92-L96 HydrophobicContact CD1-CG 4.32Å; I92-I113 HydrophobicContact CD1-CD1 3.81Å; I92-I113 HydrophobicContact CD1-CG1 4.37Å; I92-I113 HydrophobicContact CD1-CG2 4.37Å; I92-I113 HydrophobicContact CG1-CG2 4.45Å; I92-E115 PolarHBondContact N-O 3.12Å; I92-I116 HydrophobicContact CB-CG1 4.49Å; I92-S117 PolarHBondContact O-N 2.83Å
93	L	80.9	Confident	83.2	Confident	41 Å²	41	39.3 Å²	39.3	22%	0.215	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	109.2	165.2	-64.5	178.2	0	0	0	108.4	Y53 I64 C65 K66 S67	Y53-L93 HydrophobicContact CD2-CD1 4.41Å; Y53-L93 HydrophobicContact CE1-CD2 4.24Å; Y53-L93 HydrophobicContact CE2-CD1 3.97Å; I64-L93 HydrophobicContact CG2-CD1 3.63Å; I64-L93 HydrophobicContact CG2-CG 3.71Å; C65-L93 PolarHBondContact O-N 3.04Å; K66-L93 WeakPolarHBondContact CA-O 3.34Å; S67-L93 PolarHBondContact N-O 3.01Å
94	G	81.7	Confident	83.3	Confident	11 Å²	11	38.5 Å²	38.5	11%	0.113	21%	0.213	C	C	.	.	S	Bend	trans	108.4	-147.4	-171.9	0	0	0	0	0	112.1	S117 G118	G94-S117 PolarHBondContact N-OG 3.47Å; G94-G118 WeakPolarHBondContact O-CA 3.43Å; G94-G118 PolarHBondContact O-N 3Å
95	N	88.9	Confident	83.9	Confident	5 Å²	5	34 Å²	34	3%	0.027	19%	0.189	C	C	.	.			trans	-108.6	148.5	-168.2	-49.3	-53	0	0	0	112.5	S67 G118 Y119 E142	S67-N95 WeakPolarHBondContact CB-O 3.46Å; S67-N95 PolarHBondContact OG-O 2.95Å; N95-G118 WeakPolarHBondContact OD1-CA 3.35Å; N95-Y119 WeakPolarHBondContact CA-O 3.18Å; N95-Y119 HydrophobicContact CB-CD1 4.34Å; N95-Y119 HydrophobicContact CB-CD2 4.28Å; N95-Y119 HydrophobicContact CB-CE1 4.07Å; N95-Y119 HydrophobicContact CB-CE2 4.01Å; N95-Y119 HydrophobicContact CB-CG 4.43Å; N95-Y119 VanDerWaalsContact CG-CZ 3.45Å; N95-Y119 WeakPolarHBondContact ND2-CE1 2.88Å; N95-Y119 PolarHBondContact ND2-OH 2.65Å; N95-Y119 WeakPolarHBondContact OD1-CD1 3.31Å; N95-Y119 WeakPolarHBondContact OD1-CE1 3.28Å; N95-Y119 PolarHBondContact OD1-N 2.95Å; N95-Y119 VanDerWaalsContact OD1-N 3.09Å; N95-E142 PolarHBondContact ND2-OE2 3.03Å
96	L	92.1	Very high	84.3	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.6	171.6	179.6	58.4	0	0	0	109.9	M82 I92 I98 L110 I113 I116 Y119 L120 V121 L132	M82-L96 HydrophobicContact CE-CD1 4.45Å; I92-L96 HydrophobicContact CD1-CB 4.16Å; I92-L96 HydrophobicContact CD1-CD1 3.94Å; I92-L96 HydrophobicContact CD1-CD2 4.19Å; I92-L96 HydrophobicContact CD1-CG 4.32Å; L96-I98 HydrophobicContact CD1-CG1 4.41Å; L96-I98 HydrophobicContact CD2-CD1 4.31Å; L96-I98 HydrophobicContact CD2-CG1 4.44Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; L96-L110 HydrophobicContact CD2-CD2 4.18Å; L96-I113 HydrophobicContact CD2-CD1 3.78Å; L96-I116 HydrophobicContact CB-CD1 3.97Å; L96-I116 HydrophobicContact CD2-CD1 3.77Å; L96-Y119 PolarHBondContact N-O 3.22Å; L96-L120 HydrophobicContact CB-CD1 3.97Å; L96-L120 HydrophobicContact CD2-CD1 3.87Å; L96-L120 HydrophobicContact CG-CD1 3.78Å; L96-L120 WeakPolarHBondContact O-CA 3.23Å; L96-L120 WeakPolarHBondContact O-CD1 3.47Å; L96-V121 PolarHBondContact O-N 3.11Å; L96-L132 HydrophobicContact CD2-CD2 4.43Å
97	I	91	Very high	84.4	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.4	175.1	-49.5	-60.3	0	0	0	107.5	L81 Y119 V121	L81-I97 HydrophobicContact CD1-CB 4.27Å; L81-I97 HydrophobicContact CD1-CG2 4.05Å; I97-Y119 HydrophobicContact CD1-CE2 3.88Å; I97-V121 HydrophobicContact CD1-CB 3.95Å; I97-V121 HydrophobicContact CD1-CG2 3.78Å
98	I	91.8	Very high	84.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.8	173.1	-52.8	179.9	0	0	0	106.3	W78 L96 V101 L110 L120 V121 I122 Y123 V125 L130 L132	W78-I98 HydrophobicContact CE3-CG2 4.15Å; W78-I98 HydrophobicContact CZ3-CB 4.48Å; W78-I98 HydrophobicContact CZ3-CG1 4.14Å; W78-I98 HydrophobicContact CZ3-CG2 4.17Å; L96-I98 HydrophobicContact CD1-CG1 4.41Å; L96-I98 HydrophobicContact CD2-CD1 4.31Å; L96-I98 HydrophobicContact CD2-CG1 4.44Å; L96-I98 HydrophobicContact CG-CG1 4.12Å; I98-V101 HydrophobicContact CG2-CG2 3.68Å; I98-L110 HydrophobicContact CD1-CD1 3.81Å; I98-L110 HydrophobicContact CD1-CD2 3.71Å; I98-L110 HydrophobicContact CD1-CG 4.46Å; I98-L110 HydrophobicContact CG1-CD2 4.27Å; I98-L120 HydrophobicContact CD1-CD1 4Å; I98-L120 HydrophobicContact CG1-CD1 4.15Å; I98-V121 PolarHBondContact N-O 3.18Å; I98-I122 HydrophobicContact CB-CG1 4.48Å; I98-I122 HydrophobicContact CB-CG2 4.48Å; I98-I122 HydrophobicContact CD1-CD1 4.48Å; I98-I122 HydrophobicContact CD1-CG1 4.28Å; I98-I122 WeakPolarHBondContact O-CA 3.34Å; I98-Y123 PolarHBondContact O-N 3.34Å; I98-V125 HydrophobicContact CG2-CG2 4.18Å; I98-L130 HydrophobicContact CD1-CD2 4.16Å; I98-L130 HydrophobicContact CG2-CD1 4.45Å; I98-L130 HydrophobicContact CG2-CD2 4.17Å; I98-L132 HydrophobicContact CD1-CD2 4.16Å
99	S	89.9	Confident	84.9	Confident	5 Å²	5	31.5 Å²	31.5	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.8	-177.4	-169.4	0	0	0	0	113.3	I74 L76 W78 V101 Y123	I74-S99 WeakPolarHBondContact O-CB 3.34Å; I74-S99 PolarHBondContact O-OG 2.68Å; L76-S99 WeakPolarHBondContact O-CB 3.36Å; W78-S99 PolarHBondContact N-O 3.38Å; S99-V101 VanDerWaalsContact C-N 3.28Å; S99-V101 PolarHBondContact O-N 3.12Å; S99-Y123 VanDerWaalsContact CA-O 3.31Å; S99-Y123 WeakPolarHBondContact CA-O 3.01Å
100	G	82.6	Confident	85	Confident	14 Å²	14	31.5 Å²	31.5	14%	0.144	18%	0.175	C	C	.	.	S	Bend	trans	67.2	22.2	166.5	0	0	0	0	0	115.5	Y123 K160	G100-Y123 PolarHBondContact N-O 3.44Å; G100-Y123 VanDerWaalsContact N-O 3.12Å; G100-K160 WeakPolarHBondContact O-CE 3.37Å; G100-K160 PolarHBondContact O-NZ 2.92Å
101	V	86.4	Confident	84.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.			trans	-63.6	131.5	179.7	179.4	0	0	0	0	111.5	W78 I98 S99 D105 V107 V125 G126 R127	W78-V101 HydrophobicContact CB-CG2 3.82Å; W78-V101 HydrophobicContact CD2-CG2 4Å; W78-V101 HydrophobicContact CE3-CG2 4.13Å; W78-V101 HydrophobicContact CG-CG2 3.88Å; I98-V101 HydrophobicContact CG2-CG2 3.68Å; S99-V101 VanDerWaalsContact C-N 3.28Å; S99-V101 PolarHBondContact O-N 3.12Å; V101-D105 WeakPolarHBondContact CA-OD2 3.46Å; V101-D105 HydrophobicContact CG1-CB 4.03Å; V101-V107 HydrophobicContact CG1-CG1 3.98Å; V101-V125 HydrophobicContact CB-CG1 4.17Å; V101-V125 HydrophobicContact CB-CG2 4.15Å; V101-V125 HydrophobicContact CG2-CG2 4.2Å; V101-G126 PolarHBondContact O-N 3.24Å; V101-R127 HydrophobicContact CG1-CB 4.27Å
102	D	79.8	Confident	85	Confident	68 Å²	68	35.7 Å²	35.7	36%	0.364	20%	0.195	S	C	.	.			trans	-98.1	174.7	172.9	-77.8	-53.4	0	0	0	113.3	D104 D105 K160	D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.25Å; D102-D105 PolarHBondContact N-OD2 3.03Å; D102-K160 WeakPolarHBondContact OD1-CD 3.29Å; D102-K160 WeakPolarHBondContact OD1-CE 3.07Å; D102-K160 IonicContact OD1-NZ 3.89Å; D102-K160 PolarHBondContact OD1-NZ 2.97Å; D102-K160 IonicContact OD2-NZ 3.44Å; D102-K160 PolarHBondContact OD2-NZ 3.19Å
103	E	76.5	Confident	85.2	Confident	84 Å²	84	35.5 Å²	35.5	39%	0.393	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29.3	178.2	-58.2	-130.7	99.8	0	0	112.9	R127 K128	E103-R127 VanDerWaalsContact O-CZ 3.31Å; E103-R127 PolarHBondContact O-NE 3.16Å; E103-R127 PolarHBondContact O-NH2 3.35Å; E103-K128 WeakPolarHBondContact OE1-CG 3.37Å; E103-K128 IonicContact OE1-NZ 2.69Å; E103-K128 PolarHBondContact OE1-NZ 2.97Å; E103-K128 IonicContact OE2-NZ 2.68Å; E103-K128 PolarHBondContact OE2-NZ 2.96Å
104	D	78.4	Confident	85.5	Confident	157 Å²	157	34.8 Å²	34.8	84%	0.84	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-1.8	-175.8	-56.3	-48.4	0	0	0	114.1	D102	D102-D104 VanDerWaalsContact C-N 3.26Å; D102-D104 PolarHBondContact O-N 3.25Å
105	D	81.8	Confident	85.8	Confident	8 Å²	8	35 Å²	35	4%	0.043	19%	0.188	C	C	.	.			trans	-71.1	138.2	-178.1	-87	-38.7	0	0	0	112.3	K79 V101 D102 V107 R127	K79-D105 WeakPolarHBondContact CE-OD1 3.49Å; K79-D105 WeakPolarHBondContact CG-OD1 3.39Å; K79-D105 IonicContact NZ-OD1 3.54Å; V101-D105 WeakPolarHBondContact CA-OD2 3.46Å; V101-D105 HydrophobicContact CG1-CB 4.03Å; D102-D105 PolarHBondContact N-OD2 3.03Å; D105-V107 PolarHBondContact O-N 3.43Å; D105-R127 PolarHBondContact O-NH1 3.11Å; D105-R127 PolarHBondContact O-NH2 3.02Å
106	D	82.9	Confident	85.9	Confident	111 Å²	111	34.8 Å²	34.8	59%	0.594	19%	0.187	S	C	*	.			trans	-74	119.1	168.2	179.9	8.2	0	0	0	109.8	W78 T108	W78-D106 PolarHBondContact NE1-O 3.18Å; D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 VanDerWaalsContact OD1-CG2 3.24Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.05Å; D106-T108 PolarHBondContact OD1-N 3.38Å; D106-T108 PolarHBondContact OD1-OG1 2.9Å; D106-T108 PolarHBondContact OD2-OG1 3.45Å
107	V	83.8	Confident	85.5	Confident	19 Å²	19	35.7 Å²	35.7	12%	0.115	19%	0.194	C	C	.	.			trans	-119.1	13.1	176.9	-57	0	0	0	0	113.2	W78 V101 D105 L109 L110 R127	W78-V107 HydrophobicContact CZ2-CB 4.18Å; W78-V107 HydrophobicContact CZ2-CG1 4.03Å; V101-V107 HydrophobicContact CG1-CG1 3.98Å; D105-V107 PolarHBondContact O-N 3.43Å; V107-L109 PolarHBondContact O-N 3.33Å; V107-L109 VanDerWaalsContact O-N 3.11Å; V107-L110 HydrophobicContact CB-CD1 4.03Å; V107-L110 HydrophobicContact CB-CG 4.34Å; V107-L110 HydrophobicContact CG1-CD1 4.47Å; V107-L110 VanDerWaalsContact O-CB 3.31Å; V107-L110 WeakPolarHBondContact O-CB 3.29Å; V107-L110 PolarHBondContact O-N 3.39Å; V107-R127 VanDerWaalsContact CG1-NH1 3.31Å
108	T	83.9	Confident	85.2	Confident	77 Å²	77	35.5 Å²	35.5	47%	0.472	19%	0.193	S	C	.	.	H	α-helix	trans	-51.5	-37	-177.2	49	0	0	0	0	113.3	D106 L110 E111	D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 VanDerWaalsContact OD1-CG2 3.24Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.05Å; D106-T108 PolarHBondContact OD1-N 3.38Å; D106-T108 PolarHBondContact OD1-OG1 2.9Å; D106-T108 PolarHBondContact OD2-OG1 3.45Å; T108-L110 PolarHBondContact O-N 2.64Å; T108-L110 VanDerWaalsContact O-N 3.16Å; T108-E111 PolarHBondContact O-N 2.71Å
109	L	84.1	Confident	85.2	Confident	13 Å²	13	35.8 Å²	35.8	7%	0.068	19%	0.194	C	C	.	.	H	α-helix	trans	-48.7	-37	171.1	170.6	57.5	0	0	0	113.8	M82 F85 N86 P87 C89 V107 E111 N112	M82-L109 HydrophobicContact CB-CD2 4.41Å; M82-L109 HydrophobicContact CE-CD2 3.37Å; M82-L109 HydrophobicContact CE-CG 4.43Å; M82-L109 HydrophobicContact CG-CD2 4.44Å; F85-L109 HydrophobicContact CB-CD2 3.83Å; N86-L109 VanDerWaalsContact O-CD1 3.26Å; N86-L109 WeakPolarHBondContact O-CD1 3.21Å; P87-L109 WeakPolarHBondContact O-CD1 3.27Å; C89-L109 HydrophobicContact CB-CD1 3.55Å; V107-L109 PolarHBondContact O-N 3.33Å; V107-L109 VanDerWaalsContact O-N 3.11Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.23Å; L109-N112 PolarHBondContact O-N 3.03Å; L109-N112 VanDerWaalsContact O-N 3.15Å
110	L	87.5	Confident	85.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-28.3	-179.7	-67.4	-176.5	0	0	0	113.3	W78 L96 I98 V107 T108 N112 I113 L130 R131 L132	W78-L110 HydrophobicContact CH2-CD1 3.97Å; W78-L110 HydrophobicContact CH2-CD2 3.53Å; W78-L110 HydrophobicContact CH2-CG 3.57Å; W78-L110 HydrophobicContact CZ2-CD1 4.49Å; W78-L110 HydrophobicContact CZ2-CG 4.16Å; W78-L110 HydrophobicContact CZ3-CD1 4.44Å; W78-L110 HydrophobicContact CZ3-CD2 4.06Å; W78-L110 HydrophobicContact CZ3-CG 4.38Å; L96-L110 HydrophobicContact CD2-CD2 4.18Å; I98-L110 HydrophobicContact CD1-CD1 3.81Å; I98-L110 HydrophobicContact CD1-CD2 3.71Å; I98-L110 HydrophobicContact CD1-CG 4.46Å; I98-L110 HydrophobicContact CG1-CD2 4.27Å; V107-L110 HydrophobicContact CB-CD1 4.03Å; V107-L110 HydrophobicContact CB-CG 4.34Å; V107-L110 HydrophobicContact CG1-CD1 4.47Å; V107-L110 VanDerWaalsContact O-CB 3.31Å; V107-L110 WeakPolarHBondContact O-CB 3.29Å; V107-L110 PolarHBondContact O-N 3.39Å; T108-L110 PolarHBondContact O-N 2.64Å; T108-L110 VanDerWaalsContact O-N 3.16Å; L110-N112 VanDerWaalsContact C-N 3.26Å; L110-N112 PolarHBondContact O-N 3.48Å; L110-I113 HydrophobicContact CD2-CD1 3.96Å; L110-L130 HydrophobicContact CD1-CD1 3.56Å; L110-L130 HydrophobicContact CD1-CG 4.14Å; L110-R131 VanDerWaalsContact CB-O 3.26Å; L110-R131 WeakPolarHBondContact CB-O 3.15Å; L110-L132 HydrophobicContact CB-CG 4.31Å; L110-L132 HydrophobicContact CD2-CD2 4.48Å
111	E	86.4	Confident	85.9	Confident	69 Å²	69	35 Å²	35	32%	0.322	19%	0.186	S	C	.	.	H	α-helix	trans	-72.2	-21.2	176.7	-59	-168.3	156.3	0	0	111.7	T108 L109 R131 H134	T108-E111 PolarHBondContact O-N 2.71Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.23Å; E111-R131 HydrophobicContact CG-CB 4.1Å; E111-R131 WeakPolarHBondContact OE1-CD 3.42Å; E111-R131 IonicContact OE1-NH1 3.69Å; E111-H134 WeakPolarHBondContact O-CB 3.42Å; E111-H134 PolarHBondContact O-ND1 3.12Å
112	N	88.5	Confident	86.2	Confident	56 Å²	56	35 Å²	35	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-83.2	-17.8	-179.4	-72.1	-36	0	0	0	114.6	P87 C89 T90 L109 L110	P87-N112 PolarHBondContact O-ND2 3.29Å; C89-N112 CarbonylContact O-C 3.35Å; C89-N112 VanDerWaalsContact O-C 3.28Å; C89-N112 VanDerWaalsContact O-CB 3.31Å; C89-N112 WeakPolarHBondContact O-CB 3.28Å; T90-N112 WeakPolarHBondContact CA-O 3.32Å; L109-N112 PolarHBondContact O-N 3.03Å; L109-N112 VanDerWaalsContact O-N 3.15Å; L110-N112 VanDerWaalsContact C-N 3.26Å; L110-N112 PolarHBondContact O-N 3.48Å
113	I	89.9	Confident	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.			trans	-78.4	124.5	-169.5	-57.7	167.3	0	0	0	111.1	I92 L96 L110 I116 H134 L135	I92-I113 HydrophobicContact CD1-CD1 3.81Å; I92-I113 HydrophobicContact CD1-CG1 4.37Å; I92-I113 HydrophobicContact CD1-CG2 4.37Å; I92-I113 HydrophobicContact CG1-CG2 4.45Å; L96-I113 HydrophobicContact CD2-CD1 3.78Å; L110-I113 HydrophobicContact CD2-CD1 3.96Å; I113-I116 HydrophobicContact CG2-CG1 4.09Å; I113-H134 CarbonylContact O-C 3.59Å; I113-L135 HydrophobicContact CG2-CD1 4.14Å; I113-L135 WeakPolarHBondContact O-CA 3.36Å; I113-L135 PolarHBondContact O-N 3.4Å
114	E	88.8	Confident	87.2	Confident	26 Å²	26	31 Å²	31	12%	0.121	17%	0.166	C	C	.	.			trans	-103.4	-39.5	178.3	-70	175.2	-98.1	0	0	113.6	K62 T90 H134 K136 L137	K62-E114 WeakPolarHBondContact CE-OE1 3.11Å; K62-E114 IonicContact NZ-OE1 3.69Å; K62-E114 PolarHBondContact NZ-OE1 2.77Å; K62-E114 IonicContact NZ-OE2 2.66Å; K62-E114 PolarHBondContact NZ-OE2 2.94Å; T90-E114 WeakPolarHBondContact O-CA 3.28Å; T90-E114 PolarHBondContact O-N 2.88Å; E114-H134 WeakPolarHBondContact CA-O 3.34Å; E114-H134 HydrophobicContact CG-CB 4.28Å; E114-K136 HydrophobicContact CB-CD 4.38Å; E114-K136 PolarHBondContact O-N 2.92Å; E114-K136 IonicContact OE2-NZ 3.89Å; E114-K136 PolarHBondContact OE2-NZ 3.38Å; E114-L137 PolarHBondContact O-N 2.9Å
115	E	87.5	Confident	87.5	Confident	16 Å²	16	23.5 Å²	23.5	8%	0.075	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.4	-179.2	-62.1	-163.6	167.8	0	0	113.5	T90 H91 I92 L137 K139 A608	T90-E115 PolarHBondContact O-N 3.08Å; H91-E115 IonicContact CD2-OE2 3.85Å; H91-E115 IonicContact NE2-OE2 2.71Å; I92-E115 PolarHBondContact N-O 3.12Å; E115-L137 HydrophobicContact CG-CB 4.31Å; E115-K139 IonicContact OE1-NZ 2.74Å; E115-K139 IonicContact OE2-NZ 3.62Å; E115-K139 PolarHBondContact OE2-NZ 3.19Å; E115-A608 WeakPolarHBondContact OE1-CB 3.41Å
116	I	90.2	Very high	87.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.1	171.8	-59.1	166.1	0	0	0	108.9	I92 L96 I113 L120 L135 L137 I138 K139	I92-I116 HydrophobicContact CB-CG1 4.49Å; L96-I116 HydrophobicContact CB-CD1 3.97Å; L96-I116 HydrophobicContact CD2-CD1 3.77Å; I113-I116 HydrophobicContact CG2-CG1 4.09Å; I116-L120 HydrophobicContact CD1-CB 4.25Å; I116-L120 HydrophobicContact CD1-CD2 4.19Å; I116-L135 HydrophobicContact CD1-CD1 3.82Å; I116-L135 HydrophobicContact CD1-CD2 4.25Å; I116-L135 HydrophobicContact CG1-CD1 3.97Å; I116-L137 PolarHBondContact N-O 3.42Å; I116-L137 VanDerWaalsContact N-O 3.1Å; I116-I138 HydrophobicContact CB-CG1 4.34Å; I116-I138 HydrophobicContact CD1-CG1 4.32Å; I116-K139 PolarHBondContact O-N 3.41Å
117	S	83.8	Confident	87.2	Confident	22 Å²	22	20.3 Å²	20.3	15%	0.154	11%	0.105	C	C	.	.	S	Bend	trans	-79.4	-34.4	-175.7	80.6	0	0	0	0	113.8	I92 G94 G140 H141	I92-S117 PolarHBondContact O-N 2.83Å; G94-S117 PolarHBondContact N-OG 3.47Å; S117-G140 PolarHBondContact O-N 2.93Å; S117-H141 WeakPolarHBondContact O-CB 3.49Å; S117-H141 PolarHBondContact O-N 3.11Å; S117-H141 VanDerWaalsContact O-N 3.09Å; S117-H141 PolarHBondContact O-ND1 2.91Å
118	G	86	Confident	87.1	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.01	12%	0.121	C	C	.	.	S	Bend	trans	-95.6	-129.2	176.5	0	0	0	0	0	112.6	G94 N95 I138 G140	G94-G118 WeakPolarHBondContact O-CA 3.43Å; G94-G118 PolarHBondContact O-N 3Å; N95-G118 WeakPolarHBondContact OD1-CA 3.35Å; G118-I138 WeakPolarHBondContact O-CG2 3.2Å; G118-G140 WeakPolarHBondContact O-CA 3.25Å; G118-G140 PolarHBondContact O-N 3.16Å; G118-G140 VanDerWaalsContact O-N 3.13Å
119	Y	91.1	Very high	86.9	Confident	5 Å²	5	24 Å²	24	2%	0.02	12%	0.115	C	C	.	.			trans	-114	161.7	-179	60.8	-92.3	0	0	0	114.1	T70 W71 N95 L96 I97 V121 E142 I144 A152	T70-Y119 WeakPolarHBondContact CA-OH 3.41Å; W71-Y119 HydrophobicContact CB-CE2 4.24Å; W71-Y119 PolarHBondContact N-OH 3.05Å; N95-Y119 WeakPolarHBondContact CA-O 3.18Å; N95-Y119 HydrophobicContact CB-CD1 4.34Å; N95-Y119 HydrophobicContact CB-CD2 4.28Å; N95-Y119 HydrophobicContact CB-CE1 4.07Å; N95-Y119 HydrophobicContact CB-CE2 4.01Å; N95-Y119 HydrophobicContact CB-CG 4.43Å; N95-Y119 VanDerWaalsContact CG-CZ 3.45Å; N95-Y119 WeakPolarHBondContact ND2-CE1 2.88Å; N95-Y119 PolarHBondContact ND2-OH 2.65Å; N95-Y119 WeakPolarHBondContact OD1-CD1 3.31Å; N95-Y119 WeakPolarHBondContact OD1-CE1 3.28Å; N95-Y119 PolarHBondContact OD1-N 2.95Å; N95-Y119 VanDerWaalsContact OD1-N 3.09Å; L96-Y119 PolarHBondContact N-O 3.22Å; I97-Y119 HydrophobicContact CD1-CE2 3.88Å; Y119-V121 HydrophobicContact CD2-CG2 3.75Å; Y119-V121 HydrophobicContact CE2-CG2 3.83Å; Y119-E142 HydrophobicContact CD1-CB 3.82Å; Y119-E142 HydrophobicContact CE1-CB 3.97Å; Y119-I144 HydrophobicContact CD1-CG2 4.15Å; Y119-I144 HydrophobicContact CD2-CD1 4.38Å; Y119-I144 HydrophobicContact CD2-CG1 4.27Å; Y119-I144 HydrophobicContact CD2-CG2 3.92Å; Y119-I144 HydrophobicContact CE1-CG2 3.8Å; Y119-I144 HydrophobicContact CE2-CG2 3.53Å; Y119-I144 HydrophobicContact CG-CG1 4.46Å; Y119-I144 HydrophobicContact CG-CG2 4.23Å; Y119-I144 VanDerWaalsContact CZ-CG2 3.49Å; Y119-A152 CarbonylContact C-O 3.44Å; Y119-A152 VanDerWaalsContact CA-O 3.3Å; Y119-A152 WeakPolarHBondContact CA-O 3.45Å; Y119-A152 WeakPolarHBondContact CB-O 3.49Å
120	L	94.2	Very high	87.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.6	175.3	173.4	51.9	0	0	0	111	L96 I98 I116 I122 L132 L135 I138 A152 L153 L154 M196	L96-L120 HydrophobicContact CB-CD1 3.97Å; L96-L120 HydrophobicContact CD2-CD1 3.87Å; L96-L120 HydrophobicContact CG-CD1 3.78Å; L96-L120 WeakPolarHBondContact O-CA 3.23Å; L96-L120 WeakPolarHBondContact O-CD1 3.47Å; I98-L120 HydrophobicContact CD1-CD1 4Å; I98-L120 HydrophobicContact CG1-CD1 4.15Å; I116-L120 HydrophobicContact CD1-CB 4.25Å; I116-L120 HydrophobicContact CD1-CD2 4.19Å; L120-I122 HydrophobicContact CD1-CG1 4.02Å; L120-I122 HydrophobicContact CD2-CD1 4.39Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 HydrophobicContact CG-CG1 4.16Å; L120-L132 HydrophobicContact CD2-CD2 4.12Å; L120-L135 HydrophobicContact CD2-CD2 4.1Å; L120-I138 HydrophobicContact CB-CD1 3.96Å; L120-I138 HydrophobicContact CD2-CD1 4.07Å; L120-A152 PolarHBondContact N-O 3.37Å; L120-L153 HydrophobicContact CB-CD1 4.02Å; L120-L153 HydrophobicContact CD2-CD1 3.82Å; L120-L153 HydrophobicContact CG-CD1 3.76Å; L120-L153 WeakPolarHBondContact O-CA 3.39Å; L120-L154 PolarHBondContact O-N 3.37Å; L120-M196 HydrophobicContact CD2-CE 3.85Å
121	V	92.9	Very high	87.1	Confident	2 Å²	2	28.6 Å²	28.6	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.8	170.6	-174.4	0	0	0	0	110.4	I74 L96 I97 I98 Y119 I144 L154	I74-V121 HydrophobicContact CD1-CG1 3.85Å; I74-V121 HydrophobicContact CG1-CG1 4.48Å; L96-V121 PolarHBondContact O-N 3.11Å; I97-V121 HydrophobicContact CD1-CB 3.95Å; I97-V121 HydrophobicContact CD1-CG2 3.78Å; I98-V121 PolarHBondContact N-O 3.18Å; Y119-V121 HydrophobicContact CD2-CG2 3.75Å; Y119-V121 HydrophobicContact CE2-CG2 3.83Å; V121-I144 HydrophobicContact CG2-CD1 3.87Å; V121-L154 CarbonylContact C-O 3.59Å; V121-L154 WeakPolarHBondContact CA-O 3.49Å; V121-L154 HydrophobicContact CG1-CD2 4.27Å; V121-L154 HydrophobicContact CG2-CB 4.48Å
122	I	92.9	Very high	87.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	111.6	175.1	-48.1	-176	0	0	0	108.6	I98 L120 V125 L130 L154 V155 V156 N158 L191 L194 M196	I98-I122 HydrophobicContact CB-CG1 4.48Å; I98-I122 HydrophobicContact CB-CG2 4.48Å; I98-I122 HydrophobicContact CD1-CD1 4.48Å; I98-I122 HydrophobicContact CD1-CG1 4.28Å; I98-I122 WeakPolarHBondContact O-CA 3.34Å; L120-I122 HydrophobicContact CD1-CG1 4.02Å; L120-I122 HydrophobicContact CD2-CD1 4.39Å; L120-I122 HydrophobicContact CG-CD1 4.45Å; L120-I122 HydrophobicContact CG-CG1 4.16Å; I122-V125 HydrophobicContact CG2-CG2 3.84Å; I122-L130 HydrophobicContact CD1-CD2 4.13Å; I122-L130 HydrophobicContact CG2-CD2 3.73Å; I122-L154 PolarHBondContact N-O 2.84Å; I122-V155 HydrophobicContact CB-CG1 4.38Å; I122-V155 HydrophobicContact CB-CG2 4.36Å; I122-V155 HydrophobicContact CD1-CG2 4.19Å; I122-V155 HydrophobicContact CG1-CG2 4.4Å; I122-V155 WeakPolarHBondContact O-CA 3.42Å; I122-V156 PolarHBondContact O-N 2.85Å; I122-N158 PolarHBondContact O-ND2 3.08Å; I122-L191 HydrophobicContact CG2-CD2 4.41Å; I122-L194 HydrophobicContact CD1-CD1 3.77Å; I122-L194 HydrophobicContact CD1-CD2 4.16Å; I122-M196 HydrophobicContact CD1-CE 3.99Å
123	Y	90.5	Very high	87	Confident	56 Å²	56	23.9 Å²	23.9	22%	0.22	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.9	-170.9	172.3	-91.8	0	0	0	114	M1 I74 I98 S99 G100 V125 V156 N158	M1-Y123 HydrophobicContact CE-CD2 3.92Å; M1-Y123 HydrophobicContact CE-CE2 4.04Å; M1-Y123 HydrophobicContact SD-CD2 4.28Å; M1-Y123 HydrophobicContact SD-CE2 3.99Å; I74-Y123 HydrophobicContact CD1-CD1 3.92Å; I74-Y123 HydrophobicContact CD1-CD2 4.01Å; I74-Y123 HydrophobicContact CD1-CG 3.63Å; I74-Y123 HydrophobicContact CG1-CD1 3.62Å; I74-Y123 HydrophobicContact CG1-CE1 4.25Å; I74-Y123 HydrophobicContact CG1-CG 3.83Å; I98-Y123 PolarHBondContact O-N 3.34Å; S99-Y123 VanDerWaalsContact CA-O 3.31Å; S99-Y123 WeakPolarHBondContact CA-O 3.01Å; G100-Y123 PolarHBondContact N-O 3.44Å; G100-Y123 VanDerWaalsContact N-O 3.12Å; Y123-V125 PolarHBondContact O-N 3.44Å; Y123-V125 VanDerWaalsContact O-N 3.12Å; Y123-V156 VanDerWaalsContact CA-O 3.32Å; Y123-V156 WeakPolarHBondContact CA-O 3.45Å; Y123-V156 HydrophobicContact CD2-CB 4.49Å; Y123-V156 VanDerWaalsContact CD2-O 3.3Å; Y123-V156 WeakPolarHBondContact CD2-O 3.43Å; Y123-N158 VanDerWaalsContact CA-OD1 3.26Å; Y123-N158 WeakPolarHBondContact CA-OD1 3Å; Y123-N158 PolarHBondContact N-OD1 3.32Å
124	G	85.6	Confident	86.9	Confident	12 Å²	12	28.4 Å²	28.4	12%	0.124	13%	0.131	C	C	.	.	S	Bend	trans	61.4	21.5	173.7	0	0	0	0	0	115	G126 S157 N158 K160	G124-G126 PolarHBondContact O-N 3.37Å; G124-S157 WeakPolarHBondContact CA-O 3.01Å; G124-S157 PolarHBondContact N-O 2.04Å; G124-N158 PolarHBondContact N-OD1 2.81Å; G124-K160 VanDerWaalsContact O-CE 3.28Å; G124-K160 WeakPolarHBondContact O-CE 3.2Å
125	V	85.7	Confident	86.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.			trans	-70.6	118.4	175.9	175.3	0	0	0	0	109.5	I98 V101 I122 Y123 R127 N158 Y159 L191	I98-V125 HydrophobicContact CG2-CG2 4.18Å; V101-V125 HydrophobicContact CB-CG1 4.17Å; V101-V125 HydrophobicContact CB-CG2 4.15Å; V101-V125 HydrophobicContact CG2-CG2 4.2Å; I122-V125 HydrophobicContact CG2-CG2 3.84Å; Y123-V125 PolarHBondContact O-N 3.44Å; Y123-V125 VanDerWaalsContact O-N 3.12Å; V125-R127 HydrophobicContact CG1-CB 4.06Å; V125-N158 HydrophobicContact CB-CB 4.28Å; V125-N158 WeakPolarHBondContact CB-OD1 3.43Å; V125-N158 WeakPolarHBondContact CG2-OD1 3.44Å; V125-N158 PolarHBondContact N-OD1 3.48Å; V125-N158 VanDerWaalsContact N-OD1 3.1Å; V125-N158 CarbonylContact O-C 3.59Å; V125-Y159 PolarHBondContact O-N 2.87Å; V125-L191 HydrophobicContact CG1-CB 4.38Å; V125-L191 HydrophobicContact CG1-CD1 4.1Å
126	G	76	Confident	86.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.			trans	-89.3	-16.6	174.4	0	0	0	0	0	113.8	V101 G124 S189 H190	V101-G126 PolarHBondContact O-N 3.24Å; G124-G126 PolarHBondContact O-N 3.37Å; G126-S189 VanDerWaalsContact O-CB 3.28Å; G126-S189 WeakPolarHBondContact O-CB 3.48Å; G126-S189 PolarHBondContact O-OG 3.43Å; G126-H190 PolarHBondContact O-N 3.43Å
127	R	82.6	Confident	86.6	Confident	53 Å²	53	28.7 Å²	28.7	20%	0.2	13%	0.131	C	C	.	.	S	Bend	trans	-68.8	139.3	-179	-167.9	176.6	-133	159.3	12	112.1	V101 E103 D105 V107 V125 E129 L191	V101-R127 HydrophobicContact CG1-CB 4.27Å; E103-R127 VanDerWaalsContact O-CZ 3.31Å; E103-R127 PolarHBondContact O-NE 3.16Å; E103-R127 PolarHBondContact O-NH2 3.35Å; D105-R127 PolarHBondContact O-NH1 3.11Å; D105-R127 PolarHBondContact O-NH2 3.02Å; V107-R127 VanDerWaalsContact CG1-NH1 3.31Å; V125-R127 HydrophobicContact CG1-CB 4.06Å; R127-E129 VanDerWaalsContact C-N 3.26Å; R127-E129 WeakPolarHBondContact CD-O 3.48Å; R127-E129 PolarHBondContact O-N 2.83Å; R127-L191 WeakPolarHBondContact O-CA 3.41Å
128	K	80.2	Confident	86.8	Confident	103 Å²	103	27.7 Å²	27.7	45%	0.448	12%	0.124	S	C	.	.	S	Bend	trans	-57.4	-32.7	-179.3	-61.6	176.9	-168.1	80.1	0	114.5	E103 H190 Q192 S193	E103-K128 WeakPolarHBondContact OE1-CG 3.37Å; E103-K128 IonicContact OE1-NZ 2.69Å; E103-K128 PolarHBondContact OE1-NZ 2.97Å; E103-K128 IonicContact OE2-NZ 2.68Å; E103-K128 PolarHBondContact OE2-NZ 2.96Å; K128-H190 WeakPolarHBondContact CA-O 3.45Å; K128-Q192 HydrophobicContact CB-CG 4.34Å; K128-Q192 WeakPolarHBondContact O-CA 3.48Å; K128-Q192 WeakPolarHBondContact O-CB 3.39Å; K128-Q192 PolarHBondContact O-N 3.02Å; K128-S193 PolarHBondContact O-N 2.92Å; K128-S193 VanDerWaalsContact O-N 3.09Å
129	E	81.3	Confident	86.6	Confident	71 Å²	71	27.7 Å²	27.7	33%	0.332	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	139.6	-167.4	-177.8	175.6	174.2	0	0	109.8	R127 R131	R127-E129 VanDerWaalsContact C-N 3.26Å; R127-E129 WeakPolarHBondContact CD-O 3.48Å; R127-E129 PolarHBondContact O-N 2.83Å; E129-R131 HydrophobicContact CG-CG 4.41Å; E129-R131 IonicContact OE1-CZ 3.88Å; E129-R131 IonicContact OE1-NE 2.67Å; E129-R131 PolarHBondContact OE1-NE 3.21Å; E129-R131 IonicContact OE1-NH2 2.75Å; E129-R131 PolarHBondContact OE1-NH2 3.01Å; E129-R131 IonicContact OE2-NH2 2.85Å
130	L	88.5	Confident	86.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	115.8	178.3	-168.7	73.6	0	0	0	109.7	I98 L110 I122 L132 L191 S193 L194 E195	I98-L130 HydrophobicContact CD1-CD2 4.16Å; I98-L130 HydrophobicContact CG2-CD1 4.45Å; I98-L130 HydrophobicContact CG2-CD2 4.17Å; L110-L130 HydrophobicContact CD1-CD1 3.56Å; L110-L130 HydrophobicContact CD1-CG 4.14Å; I122-L130 HydrophobicContact CD1-CD2 4.13Å; I122-L130 HydrophobicContact CG2-CD2 3.73Å; L130-L132 HydrophobicContact CD2-CD1 4.19Å; L130-L132 HydrophobicContact CG-CD1 4.09Å; L130-L191 HydrophobicContact CB-CD1 3.75Å; L130-S193 PolarHBondContact N-O 2.95Å; L130-S193 VanDerWaalsContact N-O 3.11Å; L130-L194 HydrophobicContact CB-CD1 4.11Å; L130-L194 HydrophobicContact CD2-CD1 3.91Å; L130-L194 HydrophobicContact CG-CD1 4.35Å; L130-E195 PolarHBondContact O-N 3.11Å
131	R	87.3	Confident	85.3	Confident	108 Å²	108	31.8 Å²	31.8	41%	0.408	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130	-176.2	-65.1	-179.2	-179.5	162.5	5.3	111.5	L110 E111 E129 E195	L110-R131 VanDerWaalsContact CB-O 3.26Å; L110-R131 WeakPolarHBondContact CB-O 3.15Å; E111-R131 HydrophobicContact CG-CB 4.1Å; E111-R131 WeakPolarHBondContact OE1-CD 3.42Å; E111-R131 IonicContact OE1-NH1 3.69Å; E129-R131 HydrophobicContact CG-CG 4.41Å; E129-R131 IonicContact OE1-CZ 3.88Å; E129-R131 IonicContact OE1-NE 2.67Å; E129-R131 PolarHBondContact OE1-NE 3.21Å; E129-R131 IonicContact OE1-NH2 2.75Å; E129-R131 PolarHBondContact OE1-NH2 3.01Å; E129-R131 IonicContact OE2-NH2 2.85Å; R131-E195 HydrophobicContact CG-CB 4.2Å; R131-E195 HydrophobicContact CG-CG 4.43Å; R131-E195 IonicContact NE-OE2 2.63Å
132	L	91.1	Very high	84.5	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.164	C	C	.	.			trans	-131.9	52.2	168	-61	91.1	0	0	0	107.3	L96 I98 L110 L120 L130 H134 L135 L194 E195 M196	L96-L132 HydrophobicContact CD2-CD2 4.43Å; I98-L132 HydrophobicContact CD1-CD2 4.16Å; L110-L132 HydrophobicContact CB-CG 4.31Å; L110-L132 HydrophobicContact CD2-CD2 4.48Å; L120-L132 HydrophobicContact CD2-CD2 4.12Å; L130-L132 HydrophobicContact CD2-CD1 4.19Å; L130-L132 HydrophobicContact CG-CD1 4.09Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 3.02Å; L132-L135 HydrophobicContact CB-CB 4.01Å; L132-L135 HydrophobicContact CB-CD2 4.29Å; L132-L135 HydrophobicContact CD2-CD2 3.93Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 3.26Å; L132-L194 HydrophobicContact CD1-CD1 4.08Å; L132-E195 CarbonylContact C-O 3.34Å; L132-E195 PolarHBondContact N-O 3.24Å; L132-M196 HydrophobicContact CB-CG 4.32Å; L132-M196 HydrophobicContact CD1-CE 4.1Å; L132-M196 HydrophobicContact CD2-CE 4.41Å
133	S	81.1	Confident	84	Confident	26 Å²	26	41.2 Å²	41.2	18%	0.182	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.6	-164.8	49.3	0	0	0	0	114	T197 S198	S133-T197 PolarHBondContact O-OG1 3.02Å; S133-S198 WeakPolarHBondContact O-CB 3.3Å; S133-S198 PolarHBondContact O-N 2.9Å; S133-S198 VanDerWaalsContact O-N 3.14Å; S133-S198 PolarHBondContact O-OG 3.18Å
134	H	87.8	Confident	83.5	Confident	96 Å²	96	39 Å²	39	44%	0.444	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.3	179	-62	133.8	0	0	0	115	E111 I113 E114 L132 K136	E111-H134 WeakPolarHBondContact O-CB 3.42Å; E111-H134 PolarHBondContact O-ND1 3.12Å; I113-H134 CarbonylContact O-C 3.59Å; E114-H134 WeakPolarHBondContact CA-O 3.34Å; E114-H134 HydrophobicContact CG-CB 4.28Å; L132-H134 VanDerWaalsContact C-N 3.29Å; L132-H134 PolarHBondContact O-N 3.02Å; H134-K136 WeakPolarHBondContact O-CG 3.27Å; H134-K136 PolarHBondContact O-N 3.2Å
135	L	89.6	Confident	83	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.193	C	C	.	.			trans	-67.6	115.4	-177.5	179.8	66.5	0	0	0	110.1	I113 I116 L120 L132 I138 M196 S198 F199	I113-L135 HydrophobicContact CG2-CD1 4.14Å; I113-L135 WeakPolarHBondContact O-CA 3.36Å; I113-L135 PolarHBondContact O-N 3.4Å; I116-L135 HydrophobicContact CD1-CD1 3.82Å; I116-L135 HydrophobicContact CD1-CD2 4.25Å; I116-L135 HydrophobicContact CG1-CD1 3.97Å; L120-L135 HydrophobicContact CD2-CD2 4.1Å; L132-L135 HydrophobicContact CB-CB 4.01Å; L132-L135 HydrophobicContact CB-CD2 4.29Å; L132-L135 HydrophobicContact CD2-CD2 3.93Å; L132-L135 WeakPolarHBondContact O-CB 3.33Å; L132-L135 PolarHBondContact O-N 3.26Å; L135-I138 HydrophobicContact CD2-CD1 4.46Å; L135-M196 HydrophobicContact CD2-CE 4.47Å; L135-M196 HydrophobicContact CD2-SD 4.48Å; L135-S198 CarbonylContact O-C 3.38Å; L135-S198 VanDerWaalsContact O-C 3.29Å; L135-F199 HydrophobicContact CD2-CD2 4.34Å; L135-F199 HydrophobicContact CD2-CE2 4.48Å; L135-F199 HydrophobicContact CG-CD2 4.11Å; L135-F199 HydrophobicContact CG-CE2 4.48Å; L135-F199 WeakPolarHBondContact O-CA 3.44Å; L135-F199 WeakPolarHBondContact O-CB 3.44Å; L135-F199 PolarHBondContact O-N 2.97Å; L135-F199 VanDerWaalsContact O-N 3.11Å
136	K	84.7	Confident	82.1	Confident	48 Å²	48	44.2 Å²	44.2	21%	0.209	20%	0.197	C	C	.	.			trans	-99.1	-36.6	-176	-68.9	152.8	-169.6	-180	0	113	E114 H134 S198 I200 S201	E114-K136 HydrophobicContact CB-CD 4.38Å; E114-K136 PolarHBondContact O-N 2.92Å; E114-K136 IonicContact OE2-NZ 3.89Å; E114-K136 PolarHBondContact OE2-NZ 3.38Å; H134-K136 WeakPolarHBondContact O-CG 3.27Å; H134-K136 PolarHBondContact O-N 3.2Å; K136-S198 WeakPolarHBondContact CA-O 3.45Å; K136-I200 PolarHBondContact O-N 3.33Å; K136-S201 PolarHBondContact O-N 2.98Å
137	L	84.8	Confident	81.6	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	128.8	-159.2	-169	63.1	0	0	0	112.5	E114 E115 I116 K139 V203 A595 A608	E114-L137 PolarHBondContact O-N 2.9Å; E115-L137 HydrophobicContact CG-CB 4.31Å; I116-L137 PolarHBondContact N-O 3.42Å; I116-L137 VanDerWaalsContact N-O 3.1Å; L137-K139 HydrophobicContact CD2-CD 4.3Å; L137-K139 VanDerWaalsContact CD2-CE 3.48Å; L137-K139 HydrophobicContact CD2-CG 4.02Å; L137-K139 HydrophobicContact CG-CG 3.97Å; L137-V203 HydrophobicContact CD1-CG2 3.64Å; L137-V203 HydrophobicContact CG-CG2 4.31Å; L137-A595 HydrophobicContact CD1-CB 4.17Å; L137-A595 HydrophobicContact CD2-CB 3.82Å; L137-A608 HydrophobicContact CD2-CB 3.64Å
138	I	88.2	Confident	80.3	Confident	0 Å²	0	47 Å²	47	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.5	164.7	-67.5	164.8	0	0	0	107.6	I116 G118 L120 L135 A152 L153 F199 S201 V202 V203	I116-I138 HydrophobicContact CB-CG1 4.34Å; I116-I138 HydrophobicContact CD1-CG1 4.32Å; G118-I138 WeakPolarHBondContact O-CG2 3.2Å; L120-I138 HydrophobicContact CB-CD1 3.96Å; L120-I138 HydrophobicContact CD2-CD1 4.07Å; L135-I138 HydrophobicContact CD2-CD1 4.46Å; I138-A152 HydrophobicContact CG2-CB 4.04Å; I138-L153 HydrophobicContact CD1-CB 4.3Å; I138-L153 HydrophobicContact CD1-CD1 4.45Å; I138-F199 HydrophobicContact CB-CE2 4.45Å; I138-F199 HydrophobicContact CD1-CE2 3.88Å; I138-F199 HydrophobicContact CD1-CZ 3.98Å; I138-F199 HydrophobicContact CG1-CE2 3.95Å; I138-F199 HydrophobicContact CG1-CZ 4.38Å; I138-S201 PolarHBondContact N-O 3Å; I138-V202 HydrophobicContact CB-CG2 4.45Å; I138-V202 WeakPolarHBondContact O-CA 3.46Å; I138-V203 PolarHBondContact O-N 3.04Å
139	K	83.4	Confident	79.4	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	20%	0.201	C	C	.	.			trans	-93.7	-20.8	-172	-68.3	169.3	158.6	164.1	0	114.5	E115 I116 L137 H141 V203 M647	E115-K139 IonicContact OE1-NZ 2.74Å; E115-K139 IonicContact OE2-NZ 3.62Å; E115-K139 PolarHBondContact OE2-NZ 3.19Å; I116-K139 PolarHBondContact O-N 3.41Å; L137-K139 HydrophobicContact CD2-CD 4.3Å; L137-K139 VanDerWaalsContact CD2-CE 3.48Å; L137-K139 HydrophobicContact CD2-CG 4.02Å; L137-K139 HydrophobicContact CG-CG 3.97Å; K139-H141 VanDerWaalsContact C-N 3.33Å; K139-H141 PolarHBondContact O-N 2.91Å; K139-V203 HydrophobicContact CG-CG2 4.13Å; K139-M647 HydrophobicContact CD-CE 3.69Å; K139-M647 HydrophobicContact CD-SD 3.39Å; K139-M647 WeakPolarHBondContact CD-SD 3.39Å; K139-M647 PolarHBondContact NZ-SD 3.25Å
140	G	80.2	Confident	79.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	20%	0.202	C	C	.	.			trans	68.5	21.7	168.8	0	0	0	0	0	116.1	S117 G118 E142 H205	S117-G140 PolarHBondContact O-N 2.93Å; G118-G140 WeakPolarHBondContact O-CA 3.25Å; G118-G140 PolarHBondContact O-N 3.16Å; G118-G140 VanDerWaalsContact O-N 3.13Å; G140-E142 CarbonylContact C-O 3.31Å; G140-E142 VanDerWaalsContact C-O 3.32Å; G140-E142 PolarHBondContact O-N 2.88Å; G140-H205 PolarHBondContact O-CE1 3.25Å; G140-H205 PolarHBondContact O-ND1 3.23Å
141	H	75.9	Confident	78.7	Confident	91 Å²	91	44.7 Å²	44.7	42%	0.421	20%	0.202	S	C	.	.	S	Bend	trans	-60.5	-34.8	177.3	-68.1	86.7	0	0	0	112.1	S117 K139 W143	S117-H141 WeakPolarHBondContact O-CB 3.49Å; S117-H141 PolarHBondContact O-N 3.11Å; S117-H141 VanDerWaalsContact O-N 3.09Å; S117-H141 PolarHBondContact O-ND1 2.91Å; K139-H141 VanDerWaalsContact C-N 3.33Å; K139-H141 PolarHBondContact O-N 2.91Å; H141-W143 WeakPolarHBondContact O-CZ3 2.99Å
142	E	76.2	Confident	78.7	Confident	97 Å²	97	39.5 Å²	39.5	45%	0.453	18%	0.182	S	C	.	.	S	Bend	trans	-102.8	147.8	160.5	-70.4	-174.2	-147.5	0	0	108.9	N95 Y119 G140	N95-E142 PolarHBondContact ND2-OE2 3.03Å; Y119-E142 HydrophobicContact CD1-CB 3.82Å; Y119-E142 HydrophobicContact CE1-CB 3.97Å; G140-E142 CarbonylContact C-O 3.31Å; G140-E142 VanDerWaalsContact C-O 3.32Å; G140-E142 PolarHBondContact O-N 2.88Å
143	W	82.9	Confident	78.7	Confident	103 Å²	103	39.6 Å²	39.6	39%	0.39	18%	0.183	S	C	.	.			trans	-139.4	160.3	178.1	62.3	85.3	0	0	0	110.4	H141 K150 H205	H141-W143 WeakPolarHBondContact O-CZ3 2.99Å; W143-K150 HydrophobicContact CB-CB 4.4Å; W143-K150 HydrophobicContact CD2-CD 3.95Å; W143-K150 VanDerWaalsContact CE2-CE 3.46Å; W143-K150 HydrophobicContact CG-CB 4.18Å; W143-K150 HydrophobicContact CG-CD 3.86Å; W143-K150 HydrophobicContact CG-CG 4.12Å; W143-K150 VanDerWaalsContact CZ2-NZ 3.27Å; W143-H205 HydrophobicContact CB-CB 4.31Å; W143-H205 AromaticContact CD2-CE1 3.73Å; W143-H205 AromaticContact CE3-CE1 3.22Å; W143-H205 AromaticContact CE3-ND1 3.81Å; W143-H205 AromaticContact CE3-NE2 3.83Å; W143-H205 AromaticContact CZ3-CE1 3.87Å
144	I	80.4	Confident	79.2	Confident	9 Å²	9	38.6 Å²	38.6	5%	0.046	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.5	171.8	46.2	166.2	0	0	0	111.1	W71 Y119 V121 K150 V151 L154	W71-I144 HydrophobicContact CB-CG2 3.8Å; W71-I144 HydrophobicContact CG-CG2 3.81Å; Y119-I144 HydrophobicContact CD1-CG2 4.15Å; Y119-I144 HydrophobicContact CD2-CD1 4.38Å; Y119-I144 HydrophobicContact CD2-CG1 4.27Å; Y119-I144 HydrophobicContact CD2-CG2 3.92Å; Y119-I144 HydrophobicContact CE1-CG2 3.8Å; Y119-I144 HydrophobicContact CE2-CG2 3.53Å; Y119-I144 HydrophobicContact CG-CG1 4.46Å; Y119-I144 HydrophobicContact CG-CG2 4.23Å; Y119-I144 VanDerWaalsContact CZ-CG2 3.49Å; V121-I144 HydrophobicContact CG2-CD1 3.87Å; I144-K150 CarbonylContact O-C 3.54Å; I144-K150 WeakPolarHBondContact O-CA 3.28Å; I144-V151 HydrophobicContact CG1-CB 4.2Å; I144-V151 VanDerWaalsContact CG1-O 3.28Å; I144-V151 WeakPolarHBondContact CG1-O 3.11Å; I144-V151 PolarHBondContact N-O 2.91Å; I144-V151 PolarHBondContact O-N 3.27Å; I144-L154 HydrophobicContact CD1-CB 3.76Å; I144-L154 HydrophobicContact CD1-CD2 3.42Å; I144-L154 VanDerWaalsContact CD1-CD2 3.42Å; I144-L154 HydrophobicContact CD1-CG 4.17Å
145	I	74.7	Confident	79.3	Confident	98 Å²	98	34 Å²	34	50%	0.503	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.1	175.2	-58.2	178.1	0	0	0	108.1	R149	I145-R149 WeakPolarHBondContact CA-O 3.37Å
146	F	67.7	Low	79.2	Confident	23 Å²	23	34.1 Å²	34.1	10%	0.101	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.8	178.2	-169.1	-95.2	0	0	0	109.7	M1 S148 R149 V151 L154 V156 Y208	M1-F146 HydrophobicContact CE-CE2 4.05Å; M1-F146 HydrophobicContact CG-CE2 4.07Å; M1-F146 HydrophobicContact SD-CE2 3.97Å; M1-F146 HydrophobicContact SD-CZ 4.44Å; F146-S148 PolarHBondContact O-N 2.85Å; F146-R149 PolarHBondContact N-O 3.04Å; F146-R149 PolarHBondContact O-N 3.38Å; F146-V151 HydrophobicContact CB-CG2 4.21Å; F146-L154 HydrophobicContact CB-CD1 4.29Å; F146-L154 HydrophobicContact CD1-CD1 3.76Å; F146-L154 HydrophobicContact CD2-CD1 3.96Å; F146-L154 HydrophobicContact CD2-CD2 3.77Å; F146-L154 HydrophobicContact CE1-CD1 3.97Å; F146-L154 HydrophobicContact CE2-CD1 4.16Å; F146-L154 HydrophobicContact CE2-CD2 4.14Å; F146-L154 HydrophobicContact CG-CD1 3.74Å; F146-L154 HydrophobicContact CG-CD2 4.22Å; F146-L154 HydrophobicContact CZ-CD1 4.17Å; F146-V156 HydrophobicContact CE1-CG2 4.43Å; F146-V156 HydrophobicContact CE2-CG2 4.38Å; F146-V156 HydrophobicContact CZ-CG1 4.41Å; F146-V156 HydrophobicContact CZ-CG2 3.95Å; F146-Y208 AromaticContact CD1-CD1 3.76Å; F146-Y208 HydrophobicContact CD1-CD1 3.76Å; F146-Y208 HydrophobicContact CD1-CD2 4.01Å; F146-Y208 HydrophobicContact CD1-CE1 4.02Å; F146-Y208 HydrophobicContact CD1-CE2 4.22Å; F146-Y208 AromaticContact CD1-CG 3.82Å; F146-Y208 HydrophobicContact CD1-CG 3.82Å; F146-Y208 AromaticContact CE1-CD1 3.67Å; F146-Y208 HydrophobicContact CE1-CD1 3.67Å; F146-Y208 AromaticContact CE1-CE1 3.73Å; F146-Y208 HydrophobicContact CE1-CE1 3.73Å; F146-Y208 HydrophobicContact CE1-CG 4.23Å
147	K	64.6	Low	79.2	Confident	87 Å²	87	32.9 Å²	32.9	38%	0.378	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.3	44.5	-171.7	-64.4	172	176.9	-178.1	0	112.5	R149 Y208	K147-R149 PolarHBondContact O-N 2.89Å; K147-R149 VanDerWaalsContact O-N 3.15Å; K147-Y208 HydrophobicContact CD-CE1 4.08Å; K147-Y208 HydrophobicContact CD-CE2 4.17Å; K147-Y208 WeakPolarHBondContact CD-OH 2.96Å; K147-Y208 PolarHBondContact NZ-OH 3.17Å
148	S	56.3	Low	79.2	Confident	25 Å²	25	32.9 Å²	32.9	18%	0.175	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	16.8	-179.1	-39.7	0	0	0	0	116.6	F146 A1722	F146-S148 PolarHBondContact O-N 2.85Å; S148-A1722 WeakPolarHBondContact CB-O 3.17Å
149	R	61.4	Low	78.7	Confident	44 Å²	44	36.8 Å²	36.8	17%	0.166	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148	163.2	-61.7	-169.2	-172.3	-173	5.8	110.4	I145 F146 K147 V151 Q234 T235 I236 D237 P1724	I145-R149 WeakPolarHBondContact CA-O 3.37Å; F146-R149 PolarHBondContact N-O 3.04Å; F146-R149 PolarHBondContact O-N 3.38Å; K147-R149 PolarHBondContact O-N 2.89Å; K147-R149 VanDerWaalsContact O-N 3.15Å; R149-V151 HydrophobicContact CB-CG2 4.29Å; R149-Q234 PolarHBondContact NH1-O 3.44Å; R149-T235 PolarHBondContact NH1-O 3.3Å; R149-I236 VanDerWaalsContact NH1-C 3.3Å; R149-I236 PolarHBondContact NH1-O 2.86Å; R149-D237 IonicContact CZ-OD1 3.8Å; R149-D237 VanDerWaalsContact CZ-OD1 3.27Å; R149-D237 IonicContact CZ-OD2 3.65Å; R149-D237 IonicContact NE-OD2 2.74Å; R149-D237 PolarHBondContact NE-OD2 3.12Å; R149-D237 IonicContact NH1-OD1 3Å; R149-D237 PolarHBondContact NH1-OD1 2.77Å; R149-D237 IonicContact NH1-OD2 3.27Å; R149-D237 IonicContact NH2-OD1 3.21Å; R149-D237 PolarHBondContact NH2-OD1 3.21Å; R149-D237 IonicContact NH2-OD2 3.95Å; R149-D237 PolarHBondContact NH2-OD2 2.8Å; R149-P1724 HydrophobicContact CG-CG 4.38Å
150	K	75	Confident	77.9	Confident	81 Å²	81	39.1 Å²	39.1	35%	0.352	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	129.5	163.1	-65.9	-168.1	176.6	-166.5	0	109.3	W143 I144 H205 G206	W143-K150 HydrophobicContact CB-CB 4.4Å; W143-K150 HydrophobicContact CD2-CD 3.95Å; W143-K150 VanDerWaalsContact CE2-CE 3.46Å; W143-K150 HydrophobicContact CG-CB 4.18Å; W143-K150 HydrophobicContact CG-CD 3.86Å; W143-K150 HydrophobicContact CG-CG 4.12Å; W143-K150 VanDerWaalsContact CZ2-NZ 3.27Å; I144-K150 CarbonylContact O-C 3.54Å; I144-K150 WeakPolarHBondContact O-CA 3.28Å; K150-H205 HydrophobicContact CB-CB 4.06Å; K150-H205 WeakPolarHBondContact CD-CD2 3.41Å; K150-H205 VanDerWaalsContact CD-NE2 3.25Å; K150-H205 WeakPolarHBondContact CD-NE2 3.19Å; K150-H205 PolarHBondContact NZ-NE2 2.97Å; K150-G206 PolarHBondContact O-N 3.05Å
151	V	79.3	Confident	76.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.1	-174.6	176.5	0	0	0	0	109.9	I144 F146 R149 L153 L154 G206 Y208	I144-V151 HydrophobicContact CG1-CB 4.2Å; I144-V151 VanDerWaalsContact CG1-O 3.28Å; I144-V151 WeakPolarHBondContact CG1-O 3.11Å; I144-V151 PolarHBondContact N-O 2.91Å; I144-V151 PolarHBondContact O-N 3.27Å; F146-V151 HydrophobicContact CB-CG2 4.21Å; R149-V151 HydrophobicContact CB-CG2 4.29Å; V151-L153 VanDerWaalsContact CG1-C 3.48Å; V151-L153 WeakPolarHBondContact CG1-O 3.39Å; V151-L154 HydrophobicContact CG1-CB 3.97Å; V151-G206 CarbonylContact C-O 3.59Å; V151-G206 WeakPolarHBondContact CA-O 3.42Å; V151-G206 WeakPolarHBondContact CG1-O 3.32Å; V151-Y208 HydrophobicContact CG2-CD2 4.09Å; V151-Y208 HydrophobicContact CG2-CG 4.42Å
152	A	87.2	Confident	75.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-21.2	173.2	0	0	0	0	0	113	Y119 L120 I138 V202 Q204 H205 G206	Y119-A152 CarbonylContact C-O 3.44Å; Y119-A152 VanDerWaalsContact CA-O 3.3Å; Y119-A152 WeakPolarHBondContact CA-O 3.45Å; Y119-A152 WeakPolarHBondContact CB-O 3.49Å; L120-A152 PolarHBondContact N-O 3.37Å; I138-A152 HydrophobicContact CG2-CB 4.04Å; A152-V202 HydrophobicContact CB-CG1 3.95Å; A152-Q204 WeakPolarHBondContact CB-O 3.39Å; A152-H205 HydrophobicContact CB-CB 4.21Å; A152-G206 PolarHBondContact N-O 3.41Å
153	L	92.1	Very high	73.1	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.8	171.6	172.8	57.5	0	0	0	110.6	L120 I138 V151 V155 M196 G206 I207 Y208	L120-L153 HydrophobicContact CB-CD1 4.02Å; L120-L153 HydrophobicContact CD2-CD1 3.82Å; L120-L153 HydrophobicContact CG-CD1 3.76Å; L120-L153 WeakPolarHBondContact O-CA 3.39Å; I138-L153 HydrophobicContact CD1-CB 4.3Å; I138-L153 HydrophobicContact CD1-CD1 4.45Å; V151-L153 VanDerWaalsContact CG1-C 3.48Å; V151-L153 WeakPolarHBondContact CG1-O 3.39Å; L153-V155 HydrophobicContact CD1-CG2 4.06Å; L153-V155 HydrophobicContact CG-CG2 4.42Å; L153-M196 HydrophobicContact CD1-CE 4.44Å; L153-G206 PolarHBondContact N-O 3.19Å; L153-I207 HydrophobicContact CB-CG1 4.19Å; L153-I207 HydrophobicContact CB-CG2 4.29Å; L153-I207 HydrophobicContact CD2-CD1 4.21Å; L153-I207 HydrophobicContact CD2-CG1 4.42Å; L153-I207 HydrophobicContact CD2-CG2 3.9Å; L153-I207 HydrophobicContact CG-CG2 4.12Å; L153-I207 WeakPolarHBondContact O-CA 3.26Å; L153-Y208 PolarHBondContact O-N 2.89Å
154	L	90.4	Very high	70.5	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.7	-178.5	-179.7	67.4	0	0	0	111.3	L120 V121 I122 I144 F146 V151 V156 Y208	L120-L154 PolarHBondContact O-N 3.37Å; V121-L154 CarbonylContact C-O 3.59Å; V121-L154 WeakPolarHBondContact CA-O 3.49Å; V121-L154 HydrophobicContact CG1-CD2 4.27Å; V121-L154 HydrophobicContact CG2-CB 4.48Å; I122-L154 PolarHBondContact N-O 2.84Å; I144-L154 HydrophobicContact CD1-CB 3.76Å; I144-L154 HydrophobicContact CD1-CD2 3.42Å; I144-L154 VanDerWaalsContact CD1-CD2 3.42Å; I144-L154 HydrophobicContact CD1-CG 4.17Å; F146-L154 HydrophobicContact CB-CD1 4.29Å; F146-L154 HydrophobicContact CD1-CD1 3.76Å; F146-L154 HydrophobicContact CD2-CD1 3.96Å; F146-L154 HydrophobicContact CD2-CD2 3.77Å; F146-L154 HydrophobicContact CE1-CD1 3.97Å; F146-L154 HydrophobicContact CE2-CD1 4.16Å; F146-L154 HydrophobicContact CE2-CD2 4.14Å; F146-L154 HydrophobicContact CG-CD1 3.74Å; F146-L154 HydrophobicContact CG-CD2 4.22Å; F146-L154 HydrophobicContact CZ-CD1 4.17Å; V151-L154 HydrophobicContact CG1-CB 3.97Å; L154-V156 HydrophobicContact CD1-CG2 3.34Å; L154-V156 HydrophobicContact CD2-CG2 4.26Å; L154-V156 HydrophobicContact CG-CG2 3.63Å; L154-Y208 WeakPolarHBondContact CA-O 3.19Å; L154-Y208 HydrophobicContact CD1-CD1 4.34Å; L154-Y208 HydrophobicContact CD1-CG 4.26Å
155	V	90.2	Very high	67.9	Low	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	106.3	179.7	-175.2	0	0	0	0	109.2	I122 L153 N158 L194 Y208 F209 Y210 N212	I122-V155 HydrophobicContact CB-CG1 4.38Å; I122-V155 HydrophobicContact CB-CG2 4.36Å; I122-V155 HydrophobicContact CD1-CG2 4.19Å; I122-V155 HydrophobicContact CG1-CG2 4.4Å; I122-V155 WeakPolarHBondContact O-CA 3.42Å; L153-V155 HydrophobicContact CD1-CG2 4.06Å; L153-V155 HydrophobicContact CG-CG2 4.42Å; V155-N158 WeakPolarHBondContact CG1-ND2 3.26Å; V155-L194 HydrophobicContact CG1-CD2 4.38Å; V155-L194 HydrophobicContact CG2-CD2 4.15Å; V155-Y208 PolarHBondContact N-O 3.49Å; V155-F209 HydrophobicContact CB-CD1 3.66Å; V155-F209 HydrophobicContact CB-CE1 3.75Å; V155-F209 HydrophobicContact CB-CG 4.18Å; V155-F209 HydrophobicContact CB-CZ 4.34Å; V155-F209 HydrophobicContact CG1-CD1 3.87Å; V155-F209 HydrophobicContact CG1-CE1 3.85Å; V155-F209 HydrophobicContact CG2-CD1 4.17Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CE2 4.42Å; V155-F209 HydrophobicContact CG2-CZ 3.91Å; V155-F209 WeakPolarHBondContact O-CA 3.34Å; V155-Y210 PolarHBondContact O-N 3Å; V155-N212 PolarHBondContact O-ND2 2.83Å
156	V	86.7	Confident	65.6	Low	1 Å²	1	58.6 Å²	58.6	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.5	-167.2	-176.1	0	0	0	0	115.5	M1 I122 Y123 F146 L154 N158 Y210	M1-V156 HydrophobicContact CE-CB 4.43Å; M1-V156 HydrophobicContact CE-CG1 4.25Å; M1-V156 HydrophobicContact SD-CB 4.32Å; M1-V156 HydrophobicContact SD-CG1 3.52Å; M1-V156 VanDerWaalsContact SD-CG1 3.52Å; I122-V156 PolarHBondContact O-N 2.85Å; Y123-V156 VanDerWaalsContact CA-O 3.32Å; Y123-V156 WeakPolarHBondContact CA-O 3.45Å; Y123-V156 HydrophobicContact CD2-CB 4.49Å; Y123-V156 VanDerWaalsContact CD2-O 3.3Å; Y123-V156 WeakPolarHBondContact CD2-O 3.43Å; F146-V156 HydrophobicContact CE1-CG2 4.43Å; F146-V156 HydrophobicContact CE2-CG2 4.38Å; F146-V156 HydrophobicContact CZ-CG1 4.41Å; F146-V156 HydrophobicContact CZ-CG2 3.95Å; L154-V156 HydrophobicContact CD1-CG2 3.34Å; L154-V156 HydrophobicContact CD2-CG2 4.26Å; L154-V156 HydrophobicContact CG-CG2 3.63Å; V156-N158 VanDerWaalsContact C-N 3.3Å; V156-N158 PolarHBondContact N-ND2 3.14Å; V156-N158 PolarHBondContact O-N 2.87Å; V156-N158 PolarHBondContact O-ND2 2.77Å; V156-Y210 VanDerWaalsContact CA-O 3.24Å; V156-Y210 WeakPolarHBondContact CA-O 3.48Å; V156-Y210 HydrophobicContact CG1-CD1 4.09Å
157	S	84.8	Confident	63.6	Low	22 Å²	22	62.4 Å²	62.4	15%	0.154	33%	0.327	C	S	.	.			trans	53.1	43.3	170.4	-56.5	0	0	0	0	113.1	G124 Y159 Y210 D211	G124-S157 WeakPolarHBondContact CA-O 3.01Å; G124-S157 PolarHBondContact N-O 2.04Å; S157-Y159 VanDerWaalsContact C-N 3.28Å; S157-Y159 PolarHBondContact O-N 3.23Å; S157-Y210 PolarHBondContact N-O 2.93Å; S157-D211 WeakPolarHBondContact CA-O 3.36Å; S157-D211 WeakPolarHBondContact CB-OD2 3.32Å; S157-D211 PolarHBondContact N-O 3.26Å; S157-D211 PolarHBondContact OG-OD2 3.28Å
158	N	86	Confident	61.7	Low	0 Å²	0	63.2 Å²	63.2	0%	0	34%	0.344	C	S	.	.			trans	-83.7	72.2	-176.6	-70.6	-69.2	0	0	0	112.3	I122 Y123 G124 V125 V155 V156 L191 N212	I122-N158 PolarHBondContact O-ND2 3.08Å; Y123-N158 VanDerWaalsContact CA-OD1 3.26Å; Y123-N158 WeakPolarHBondContact CA-OD1 3Å; Y123-N158 PolarHBondContact N-OD1 3.32Å; G124-N158 PolarHBondContact N-OD1 2.81Å; V125-N158 HydrophobicContact CB-CB 4.28Å; V125-N158 WeakPolarHBondContact CB-OD1 3.43Å; V125-N158 WeakPolarHBondContact CG2-OD1 3.44Å; V125-N158 PolarHBondContact N-OD1 3.48Å; V125-N158 VanDerWaalsContact N-OD1 3.1Å; V125-N158 CarbonylContact O-C 3.59Å; V155-N158 WeakPolarHBondContact CG1-ND2 3.26Å; V156-N158 VanDerWaalsContact C-N 3.3Å; V156-N158 PolarHBondContact N-ND2 3.14Å; V156-N158 PolarHBondContact O-N 2.87Å; V156-N158 PolarHBondContact O-ND2 2.77Å; N158-L191 HydrophobicContact CB-CB 3.67Å; N158-L191 HydrophobicContact CB-CD2 3.94Å; N158-L191 HydrophobicContact CB-CG 4.47Å; N158-L191 PolarHBondContact O-N 3.14Å; N158-L191 VanDerWaalsContact O-N 3.07Å; N158-N212 WeakPolarHBondContact CB-OD1 3.49Å; N158-N212 PolarHBondContact N-OD1 3.1Å; N158-N212 PolarHBondContact ND2-OD1 3.37Å
159	Y	76.8	Confident	60.3	Low	82 Å²	82	69.3 Å²	69.3	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	152	172.5	62.7	-88.3	0	0	0	110.8	V125 S157 S189 H190	V125-Y159 PolarHBondContact O-N 2.87Å; S157-Y159 VanDerWaalsContact C-N 3.28Å; S157-Y159 PolarHBondContact O-N 3.23Å; Y159-S189 CarbonylContact C-O 3.53Å; Y159-S189 WeakPolarHBondContact CA-O 3.4Å; Y159-S189 WeakPolarHBondContact CB-O 3.22Å; Y159-H190 WeakPolarHBondContact CB-ND1 3.28Å
160	K	66.7	Low	58.8	Low	52 Å²	52	74.3 Å²	74.3	23%	0.226	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	150.1	169.3	-67.4	-170.6	-179.9	-168.9	0	111.1	G100 D102 G124 S189	G100-K160 WeakPolarHBondContact O-CE 3.37Å; G100-K160 PolarHBondContact O-NZ 2.92Å; D102-K160 WeakPolarHBondContact OD1-CD 3.29Å; D102-K160 WeakPolarHBondContact OD1-CE 3.07Å; D102-K160 IonicContact OD1-NZ 3.89Å; D102-K160 PolarHBondContact OD1-NZ 2.97Å; D102-K160 IonicContact OD2-NZ 3.44Å; D102-K160 PolarHBondContact OD2-NZ 3.19Å; G124-K160 VanDerWaalsContact O-CE 3.28Å; G124-K160 WeakPolarHBondContact O-CE 3.2Å; K160-S189 PolarHBondContact N-O 3Å; K160-S189 PolarHBondContact O-N 3.48Å; K160-S189 VanDerWaalsContact O-N 3.13Å
161	Q	55.8	Low	56.4	Low	153 Å²	153	75.2 Å²	75.2	72%	0.715	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	125	176.7	-170.7	165.6	0.9	0	0	108.4	D163 L188	Q161-D163 PolarHBondContact O-N 3.17Å; Q161-D163 VanDerWaalsContact O-N 3.17Å; Q161-L188 HydrophobicContact CB-CD2 4Å; Q161-L188 HydrophobicContact CG-CD2 3.93Å
162	N	45.5	Very low	53.8	Low	95 Å²	95	79.9 Å²	79.9	51%	0.508	46%	0.459	S	S	.	.			trans	-65.7	115.8	-179.1	-79.3	-5.5	0	0	0	110.3	L164 G187	N162-L164 PolarHBondContact O-N 3.28Å; N162-G187 PolarHBondContact ND2-O 3.34Å
163	D	31.5	Very low	51	Low	137 Å²	137	88.5 Å²	88.5	73%	0.733	50%	0.499	S	S	*	.			trans	-73.6	66.6	-178.6	-86.9	-40.4	0	0	0	113	Q161 L165	Q161-D163 PolarHBondContact O-N 3.17Å; Q161-D163 VanDerWaalsContact O-N 3.17Å; D163-L165 PolarHBondContact O-N 2.85Å; D163-L165 VanDerWaalsContact O-N 3.11Å
164	L	27.7	Very low	47.9	Very low	158 Å²	158	93.7 Å²	93.7	83%	0.827	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	48.4	166.3	-82	168.9	0	0	0	111.7	N162	N162-L164 PolarHBondContact O-N 3.28Å
165	L	26.4	Very low	44.7	Very low	164 Å²	164	99.8 Å²	99.8	86%	0.859	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151	25.9	178.9	-114.5	166.1	0	0	0	115.1	D163	D163-L165 PolarHBondContact O-N 2.85Å; D163-L165 VanDerWaalsContact O-N 3.11Å
166	S	24.7	Very low	41.6	Very low	99 Å²	99	104.8 Å²	104.8	69%	0.692	61%	0.608	S	S	*	*			trans	-130.6	27.6	-179.4	57.3	0	0	0	0	114.9
167	S	26.4	Very low	38.7	Very low	104 Å²	104	110.3 Å²	110.3	73%	0.727	65%	0.647	S	S	*	*			trans	-111.7	73.6	-180	52	0	0	0	0	114.2
168	S	25.3	Very low	35.9	Very low	103 Å²	103	115.1 Å²	115.1	72%	0.72	68%	0.675	S	S	*	*			trans	-68.4	127.5	156	52.1	0	0	0	0	110.1
169	N	25.5	Very low	33	Very low	154 Å²	154	122.6 Å²	122.6	82%	0.824	72%	0.715	S	S	*	*			trans	75.3	74.2	169.3	-48.9	-24.8	0	0	0	118
170	V	30.4	Very low	30.7	Very low	149 Å²	149	123.3 Å²	123.3	90%	0.903	72%	0.724	S	S	*	*			trans	-133.7	139.5	144	-176.6	0	0	0	0	108.8
171	S	25.3	Very low	28.8	Very low	99 Å²	99	128.1 Å²	128.1	69%	0.692	76%	0.758	S	S	*	*			trans	-124	131.6	-169.1	58.8	0	0	0	0	114.8
172	S	25.3	Very low	27.4	Very low	98 Å²	98	123.8 Å²	123.8	69%	0.685	75%	0.754	S	S	*	*			trans	71.4	149.1	155.3	78.6	0	0	0	0	119.5
173	Q	27.1	Very low	26.5	Very low	182 Å²	182	126.1 Å²	126.1	85%	0.85	76%	0.76	S	S	*	*			trans	70	139.8	171.6	-50.2	-178.7	32.2	0	0	115.7
174	S	26.5	Very low	26.3	Very low	110 Å²	110	129 Å²	129	77%	0.769	77%	0.769	S	S	*	*			cis	-155.1	160.4	-19	55.2	0	0	0	0	111.3
175	T	24.1	Very low	26.4	Very low	133 Å²	133	132.3 Å²	132.3	82%	0.816	77%	0.771	S	S	*	*			trans	-57.2	138.2	-174.1	47.9	0	0	0	0	116.3
176	S	25.4	Very low	26.6	Very low	105 Å²	105	133.1 Å²	133.1	73%	0.734	76%	0.763	S	S	*	*				176.9	120.2	120.6	40.2	0	0	0	0	115.5
177	S	25	Very low	27	Very low	118 Å²	118	130.6 Å²	130.6	83%	0.825	75%	0.753	S	S	*	*			trans	65.4	154.9	155.3	83	0	0	0	0	117.8
178	V	26.5	Very low	28.1	Very low	122 Å²	122	128.7 Å²	128.7	74%	0.739	73%	0.734	S	S	*	*			cis	-133.9	154.4	-4.8	177.8	0	0	0	0	109.1
179	N	25.4	Very low	29.9	Very low	157 Å²	157	125.2 Å²	125.2	84%	0.84	71%	0.71	S	S	*	*			trans	-39.4	134	172.4	-39.6	-21.3	0	0	0	116.1
180	D	27.6	Very low	32.3	Very low	97 Å²	97	119.4 Å²	119.4	52%	0.519	68%	0.678	S	S	.	*			trans	-164.7	74.4	150.2	-162	-7.2	0	0	0	113.6	G182 K183	D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 PolarHBondContact O-N 3Å; D180-K183 WeakPolarHBondContact OD2-CD 3.44Å; D180-K183 WeakPolarHBondContact OD2-CE 3.36Å; D180-K183 IonicContact OD2-NZ 3.96Å; D180-K183 PolarHBondContact OD2-NZ 3.25Å
181	T	26.4	Very low	34.8	Very low	154 Å²	154	112.3 Å²	112.3	95%	0.945	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	62.9	-178.1	48.7	0	0	0	0	113.1
182	G	26.7	Very low	37.3	Very low	61 Å²	61	109.7 Å²	109.7	63%	0.629	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	-4.6	175.2	0	0	0	0	0	116.4	D180	D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 PolarHBondContact O-N 3Å
183	K	27.4	Very low	39.8	Very low	144 Å²	144	105.9 Å²	105.9	63%	0.626	59%	0.585	S	S	*	*			trans	-96.2	-3.8	-160.7	-79.6	169.4	167.6	160.9	0	117.8	D180 R185 Y186	D180-K183 WeakPolarHBondContact OD2-CD 3.44Å; D180-K183 WeakPolarHBondContact OD2-CE 3.36Å; D180-K183 IonicContact OD2-NZ 3.96Å; D180-K183 PolarHBondContact OD2-NZ 3.25Å; K183-R185 VanDerWaalsContact C-N 3.26Å; K183-R185 PolarHBondContact O-N 3.02Å; K183-Y186 PolarHBondContact O-N 3.1Å
184	Q	28.2	Very low	42.6	Very low	199 Å²	199	97.2 Å²	97.2	93%	0.93	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	20.2	-163.6	-70	-165.7	-15	0	0	118
185	R	27.9	Very low	45.3	Very low	227 Å²	227	92.9 Å²	92.9	86%	0.857	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	1.5	169.2	-82.7	-170.4	175.4	178.8	0	115.8	K183	K183-R185 VanDerWaalsContact C-N 3.26Å; K183-R185 PolarHBondContact O-N 3.02Å
186	Y	32.2	Very low	48.4	Very low	181 Å²	181	86.6 Å²	86.6	71%	0.71	47%	0.474	S	S	*	.			trans	-118.7	21.9	-177.5	-64.5	-75.6	0	0	0	113.5	K183 L188	K183-Y186 PolarHBondContact O-N 3.1Å; Y186-L188 PolarHBondContact O-N 3.36Å
187	G	31.4	Very low	51	Low	46 Å²	46	83.3 Å²	83.3	47%	0.474	45%	0.449	S	S	.	.			trans	-94.1	39.9	179.9	0	0	0	0	0	114.4	N162	N162-G187 PolarHBondContact ND2-O 3.34Å
188	L	50.6	Low	53.7	Low	64 Å²	64	79.5 Å²	79.5	34%	0.335	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144	178	-60	176.4	0	0	0	109.4	Q161 Y186 H190	Q161-L188 HydrophobicContact CB-CD2 4Å; Q161-L188 HydrophobicContact CG-CD2 3.93Å; Y186-L188 PolarHBondContact O-N 3.36Å; L188-H190 PolarHBondContact O-CD2 3.19Å
189	S	63.7	Low	56.4	Low	29 Å²	29	73.7 Å²	73.7	20%	0.203	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.8	167.3	65.7	0	0	0	0	109.3	G126 Y159 K160	G126-S189 VanDerWaalsContact O-CB 3.28Å; G126-S189 WeakPolarHBondContact O-CB 3.48Å; G126-S189 PolarHBondContact O-OG 3.43Å; Y159-S189 CarbonylContact C-O 3.53Å; Y159-S189 WeakPolarHBondContact CA-O 3.4Å; Y159-S189 WeakPolarHBondContact CB-O 3.22Å; K160-S189 PolarHBondContact N-O 3Å; K160-S189 PolarHBondContact O-N 3.48Å; K160-S189 VanDerWaalsContact O-N 3.13Å
190	H	74.7	Confident	58.8	Low	32 Å²	32	66.9 Å²	66.9	15%	0.148	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.2	-166.4	-63.2	-72.2	0	0	0	110.6	G126 K128 Y159 L188 Q192	G126-H190 PolarHBondContact O-N 3.43Å; K128-H190 WeakPolarHBondContact CA-O 3.45Å; Y159-H190 WeakPolarHBondContact CB-ND1 3.28Å; L188-H190 PolarHBondContact O-CD2 3.19Å; H190-Q192 VanDerWaalsContact O-CG 3.3Å; H190-Q192 WeakPolarHBondContact O-CG 3.29Å
191	L	83.7	Confident	61.1	Low	1 Å²	1	62.5 Å²	62.5	1%	0.005	33%	0.328	C	S	.	.			trans	-70.1	130.7	162.9	-175.3	62	0	0	0	110.6	I122 V125 R127 L130 N158 S193 G214 L215	I122-L191 HydrophobicContact CG2-CD2 4.41Å; V125-L191 HydrophobicContact CG1-CB 4.38Å; V125-L191 HydrophobicContact CG1-CD1 4.1Å; R127-L191 WeakPolarHBondContact O-CA 3.41Å; L130-L191 HydrophobicContact CB-CD1 3.75Å; N158-L191 HydrophobicContact CB-CB 3.67Å; N158-L191 HydrophobicContact CB-CD2 3.94Å; N158-L191 HydrophobicContact CB-CG 4.47Å; N158-L191 PolarHBondContact O-N 3.14Å; N158-L191 VanDerWaalsContact O-N 3.07Å; L191-S193 VanDerWaalsContact CD1-O 3.27Å; L191-S193 WeakPolarHBondContact CD1-O 3.45Å; L191-G214 CarbonylContact O-C 3.34Å; L191-G214 VanDerWaalsContact O-C 3.23Å; L191-G214 WeakPolarHBondContact O-CA 3.24Å; L191-L215 PolarHBondContact O-N 3.22Å
192	Q	76.8	Confident	63.6	Low	44 Å²	44	55.3 Å²	55.3	21%	0.206	28%	0.283	C	S	.	.			trans	-124.7	-35	-171.4	-45.5	-175.4	10.9	0	0	113.8	K128 H190 G214 K257	K128-Q192 HydrophobicContact CB-CG 4.34Å; K128-Q192 WeakPolarHBondContact O-CA 3.48Å; K128-Q192 WeakPolarHBondContact O-CB 3.39Å; K128-Q192 PolarHBondContact O-N 3.02Å; H190-Q192 VanDerWaalsContact O-CG 3.3Å; H190-Q192 WeakPolarHBondContact O-CG 3.29Å; Q192-G214 WeakPolarHBondContact CA-O 3.28Å; Q192-K257 VanDerWaalsContact OE1-CE 3.3Å
193	S	78.6	Confident	65.8	Low	18 Å²	18	53.3 Å²	53.3	13%	0.126	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.8	171.2	-165.4	0	0	0	0	109.7	K128 L130 L191 E195	K128-S193 PolarHBondContact O-N 2.92Å; K128-S193 VanDerWaalsContact O-N 3.09Å; L130-S193 PolarHBondContact N-O 2.95Å; L130-S193 VanDerWaalsContact N-O 3.11Å; L191-S193 VanDerWaalsContact CD1-O 3.27Å; L191-S193 WeakPolarHBondContact CD1-O 3.45Å; S193-E195 VanDerWaalsContact OG-CG 3.28Å; S193-E195 WeakPolarHBondContact OG-CG 3.43Å; S193-E195 PolarHBondContact OG-OE1 2.55Å
194	L	86.5	Confident	68	Low	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	112.6	174.5	177.1	64.4	0	0	0	107.1	I122 L130 L132 V155 M196 F209 L215 T218	I122-L194 HydrophobicContact CD1-CD1 3.77Å; I122-L194 HydrophobicContact CD1-CD2 4.16Å; L130-L194 HydrophobicContact CB-CD1 4.11Å; L130-L194 HydrophobicContact CD2-CD1 3.91Å; L130-L194 HydrophobicContact CG-CD1 4.35Å; L132-L194 HydrophobicContact CD1-CD1 4.08Å; V155-L194 HydrophobicContact CG1-CD2 4.38Å; V155-L194 HydrophobicContact CG2-CD2 4.15Å; L194-M196 HydrophobicContact CD1-CE 4.1Å; L194-M196 HydrophobicContact CD2-CE 4.16Å; L194-M196 HydrophobicContact CG-CE 4.21Å; L194-F209 HydrophobicContact CD2-CE1 4.2Å; L194-F209 HydrophobicContact CD2-CZ 4.38Å; L194-L215 HydrophobicContact CB-CD1 4.03Å; L194-T218 HydrophobicContact CB-CG2 4.41Å; L194-T218 WeakPolarHBondContact O-CG2 3.37Å
195	E	83.6	Confident	70.3	Confident	19 Å²	19	41.6 Å²	41.6	9%	0.089	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.6	-160.9	-50.1	-163.2	161.9	0	0	111.2	L130 R131 L132 S193 Q543	L130-E195 PolarHBondContact O-N 3.11Å; R131-E195 HydrophobicContact CG-CB 4.2Å; R131-E195 HydrophobicContact CG-CG 4.43Å; R131-E195 IonicContact NE-OE2 2.63Å; L132-E195 CarbonylContact C-O 3.34Å; L132-E195 PolarHBondContact N-O 3.24Å; S193-E195 VanDerWaalsContact OG-CG 3.28Å; S193-E195 WeakPolarHBondContact OG-CG 3.43Å; S193-E195 PolarHBondContact OG-OE1 2.55Å; E195-Q543 PolarHBondContact OE1-NE2 3.03Å
196	M	87.4	Confident	72.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.165	C	C	.	.			trans	-119.6	56.8	178.8	-47.4	178.5	160.7	0	0	109.3	L120 I122 L132 L135 L153 L194 S198 F199 W537	L120-M196 HydrophobicContact CD2-CE 3.85Å; I122-M196 HydrophobicContact CD1-CE 3.99Å; L132-M196 HydrophobicContact CB-CG 4.32Å; L132-M196 HydrophobicContact CD1-CE 4.1Å; L132-M196 HydrophobicContact CD2-CE 4.41Å; L135-M196 HydrophobicContact CD2-CE 4.47Å; L135-M196 HydrophobicContact CD2-SD 4.48Å; L153-M196 HydrophobicContact CD1-CE 4.44Å; L194-M196 HydrophobicContact CD1-CE 4.1Å; L194-M196 HydrophobicContact CD2-CE 4.16Å; L194-M196 HydrophobicContact CG-CE 4.21Å; M196-S198 VanDerWaalsContact C-N 3.29Å; M196-S198 PolarHBondContact O-N 3.49Å; M196-F199 HydrophobicContact CB-CB 3.72Å; M196-F199 HydrophobicContact CB-CG 4.33Å; M196-F199 WeakPolarHBondContact O-CB 3.42Å; M196-F199 PolarHBondContact O-N 3.02Å; M196-W537 HydrophobicContact CB-CD2 4.49Å; M196-W537 HydrophobicContact CB-CE3 4.24Å; M196-W537 HydrophobicContact CB-CH2 3.67Å; M196-W537 HydrophobicContact CB-CZ2 3.87Å; M196-W537 HydrophobicContact CB-CZ3 3.84Å; M196-W537 HydrophobicContact CG-CH2 4.16Å; M196-W537 HydrophobicContact CG-CZ3 3.97Å; M196-W537 VanDerWaalsContact O-CZ2 3.25Å; M196-W537 WeakPolarHBondContact O-CZ2 3.32Å; M196-W537 PolarHBondContact O-NE1 3.28Å; M196-W537 HydrophobicContact SD-CH2 4.1Å; M196-W537 HydrophobicContact SD-CZ3 4.1Å
197	T	81.4	Confident	74.7	Confident	36 Å²	36	22.1 Å²	22.1	22%	0.221	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.1	-167.2	48.6	0	0	0	0	114	S133 F199 D542	S133-T197 PolarHBondContact O-OG1 3.02Å; T197-F199 VanDerWaalsContact C-N 3.32Å; T197-D542 WeakPolarHBondContact CG2-O 3.47Å
198	S	80.4	Confident	77.1	Confident	38 Å²	38	20.1 Å²	20.1	27%	0.266	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.7	173.9	-56.3	0	0	0	0	114.9	S133 L135 K136 M196 I200	S133-S198 WeakPolarHBondContact O-CB 3.3Å; S133-S198 PolarHBondContact O-N 2.9Å; S133-S198 VanDerWaalsContact O-N 3.14Å; S133-S198 PolarHBondContact O-OG 3.18Å; L135-S198 CarbonylContact O-C 3.38Å; L135-S198 VanDerWaalsContact O-C 3.29Å; K136-S198 WeakPolarHBondContact CA-O 3.45Å; M196-S198 VanDerWaalsContact C-N 3.29Å; M196-S198 PolarHBondContact O-N 3.49Å; S198-I200 WeakPolarHBondContact O-CG1 3.15Å; S198-I200 PolarHBondContact O-N 3.01Å
199	F	84.9	Confident	78.7	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.			trans	-75.5	123.8	-169.8	-169.8	-113.6	0	0	0	112.4	L135 I138 M196 T197 V202 M227 W537	L135-F199 HydrophobicContact CD2-CD2 4.34Å; L135-F199 HydrophobicContact CD2-CE2 4.48Å; L135-F199 HydrophobicContact CG-CD2 4.11Å; L135-F199 HydrophobicContact CG-CE2 4.48Å; L135-F199 WeakPolarHBondContact O-CA 3.44Å; L135-F199 WeakPolarHBondContact O-CB 3.44Å; L135-F199 PolarHBondContact O-N 2.97Å; L135-F199 VanDerWaalsContact O-N 3.11Å; I138-F199 HydrophobicContact CB-CE2 4.45Å; I138-F199 HydrophobicContact CD1-CE2 3.88Å; I138-F199 HydrophobicContact CD1-CZ 3.98Å; I138-F199 HydrophobicContact CG1-CE2 3.95Å; I138-F199 HydrophobicContact CG1-CZ 4.38Å; M196-F199 HydrophobicContact CB-CB 3.72Å; M196-F199 HydrophobicContact CB-CG 4.33Å; M196-F199 WeakPolarHBondContact O-CB 3.42Å; M196-F199 PolarHBondContact O-N 3.02Å; T197-F199 VanDerWaalsContact C-N 3.32Å; F199-V202 HydrophobicContact CE1-CG2 4.14Å; F199-V202 HydrophobicContact CZ-CG2 3.6Å; F199-M227 HydrophobicContact CD1-CE 4.18Å; F199-M227 HydrophobicContact CD1-SD 4.13Å; F199-M227 HydrophobicContact CE1-SD 4.49Å; F199-M227 WeakPolarHBondContact O-CE 3.4Å; F199-W537 HydrophobicContact CB-CH2 4.42Å; F199-W537 HydrophobicContact CB-CZ2 3.98Å; F199-W537 HydrophobicContact CD1-CH2 4.11Å; F199-W537 HydrophobicContact CD1-CZ2 4.22Å
200	I	74.5	Confident	79.4	Confident	14 Å²	14	17.9 Å²	17.9	7%	0.072	9%	0.093	C	C	.	.			trans	-115.3	-37.1	-172.1	-41	-179.2	0	0	0	112.2	K136 S198 M227 H548 A596 S597	K136-I200 PolarHBondContact O-N 3.33Å; S198-I200 WeakPolarHBondContact O-CG1 3.15Å; S198-I200 PolarHBondContact O-N 3.01Å; I200-M227 WeakPolarHBondContact O-CA 3.28Å; I200-H548 HydrophobicContact CG2-CB 4.3Å; I200-A596 HydrophobicContact CB-CB 3.74Å; I200-A596 HydrophobicContact CD1-CB 4.04Å; I200-A596 HydrophobicContact CG1-CB 4.42Å; I200-A596 HydrophobicContact CG2-CB 3.64Å; I200-S597 WeakPolarHBondContact CD1-OG 3.41Å
201	S	76.6	Confident	79.6	Confident	5 Å²	5	17.2 Å²	17.2	4%	0.035	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	145.6	-168.6	-178.3	0	0	0	0	115.5	K136 I138 M227	K136-S201 PolarHBondContact O-N 2.98Å; I138-S201 PolarHBondContact N-O 3Å; S201-M227 CarbonylContact C-O 3.28Å; S201-M227 VanDerWaalsContact CA-O 3.29Å; S201-M227 WeakPolarHBondContact CA-O 3.41Å
202	V	77.7	Confident	79.3	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.2	156.2	-179.5	0	0	0	0	108	I138 A152 F199 Q204 H205 I207 M227 I228	I138-V202 HydrophobicContact CB-CG2 4.45Å; I138-V202 WeakPolarHBondContact O-CA 3.46Å; A152-V202 HydrophobicContact CB-CG1 3.95Å; F199-V202 HydrophobicContact CE1-CG2 4.14Å; F199-V202 HydrophobicContact CZ-CG2 3.6Å; V202-Q204 WeakPolarHBondContact CG1-O 3.16Å; V202-H205 WeakPolarHBondContact CG1-O 3.28Å; V202-I207 HydrophobicContact CG2-CD1 3.79Å; V202-I207 HydrophobicContact CG2-CG1 4.06Å; V202-M227 PolarHBondContact N-O 3.16Å; V202-I228 HydrophobicContact CB-CG1 4.44Å
203	V	74	Confident	79	Confident	20 Å²	20	16.8 Å²	16.8	12%	0.121	9%	0.091	C	C	.	.			trans	-79	-36.3	-172.5	-174.7	0	0	0	0	112.9	L137 I138 K139 L610	L137-V203 HydrophobicContact CD1-CG2 3.64Å; L137-V203 HydrophobicContact CG-CG2 4.31Å; I138-V203 PolarHBondContact O-N 3.04Å; K139-V203 HydrophobicContact CG-CG2 4.13Å; V203-L610 HydrophobicContact CG1-CD1 3.58Å; V203-L610 HydrophobicContact CG2-CD1 4.17Å
204	Q	73.1	Confident	78.7	Confident	81 Å²	81	16 Å²	16	38%	0.379	9%	0.086	S	C	.	.	S	Bend	trans	-144.4	145.4	-179.5	-57.4	-174.5	10.8	0	0	110.4	A152 V202	A152-Q204 WeakPolarHBondContact CB-O 3.39Å; V202-Q204 WeakPolarHBondContact CG1-O 3.16Å
205	H	77.4	Confident	78.4	Confident	15 Å²	15	16 Å²	16	7%	0.069	9%	0.086	C	C	.	.	S	Bend	trans	66	168.3	176.6	-44	113.6	0	0	0	115	G140 W143 K150 A152 V202 E232	G140-H205 PolarHBondContact O-CE1 3.25Å; G140-H205 PolarHBondContact O-ND1 3.23Å; W143-H205 HydrophobicContact CB-CB 4.31Å; W143-H205 AromaticContact CD2-CE1 3.73Å; W143-H205 AromaticContact CE3-CE1 3.22Å; W143-H205 AromaticContact CE3-ND1 3.81Å; W143-H205 AromaticContact CE3-NE2 3.83Å; W143-H205 AromaticContact CZ3-CE1 3.87Å; K150-H205 HydrophobicContact CB-CB 4.06Å; K150-H205 WeakPolarHBondContact CD-CD2 3.41Å; K150-H205 VanDerWaalsContact CD-NE2 3.25Å; K150-H205 WeakPolarHBondContact CD-NE2 3.19Å; K150-H205 PolarHBondContact NZ-NE2 2.97Å; A152-H205 HydrophobicContact CB-CB 4.21Å; V202-H205 WeakPolarHBondContact CG1-O 3.28Å; H205-E232 WeakPolarHBondContact CA-OE1 3.36Å; H205-E232 PolarHBondContact N-OE1 2.9Å
206	G	69.5	Low	77.9	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	176.2	-161.2	0	0	0	0	0	118.5	K150 V151 A152 L153 T235	K150-G206 PolarHBondContact O-N 3.05Å; V151-G206 CarbonylContact C-O 3.59Å; V151-G206 WeakPolarHBondContact CA-O 3.42Å; V151-G206 WeakPolarHBondContact CG1-O 3.32Å; A152-G206 PolarHBondContact N-O 3.41Å; L153-G206 PolarHBondContact N-O 3.19Å; G206-T235 WeakPolarHBondContact CA-OG1 3.47Å
207	I	81.5	Confident	77.4	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130.4	174.4	-56.8	-171.7	0	0	0	109.2	L153 V202 F209 W224 I228 I236 D237	L153-I207 HydrophobicContact CB-CG1 4.19Å; L153-I207 HydrophobicContact CB-CG2 4.29Å; L153-I207 HydrophobicContact CD2-CD1 4.21Å; L153-I207 HydrophobicContact CD2-CG1 4.42Å; L153-I207 HydrophobicContact CD2-CG2 3.9Å; L153-I207 HydrophobicContact CG-CG2 4.12Å; L153-I207 WeakPolarHBondContact O-CA 3.26Å; V202-I207 HydrophobicContact CG2-CD1 3.79Å; V202-I207 HydrophobicContact CG2-CG1 4.06Å; I207-F209 HydrophobicContact CG2-CD2 3.97Å; I207-F209 HydrophobicContact CG2-CE2 3.63Å; I207-W224 HydrophobicContact CD1-CE3 3.66Å; I207-W224 HydrophobicContact CD1-CH2 4.42Å; I207-W224 HydrophobicContact CD1-CZ3 3.46Å; I207-W224 VanDerWaalsContact CD1-CZ3 3.46Å; I207-W224 HydrophobicContact CG2-CH2 4.22Å; I207-W224 HydrophobicContact CG2-CZ3 4.21Å; I207-I228 HydrophobicContact CD1-CD1 3.75Å; I207-I228 HydrophobicContact CD1-CG1 4.31Å; I207-I228 HydrophobicContact CG1-CD1 3.97Å; I207-I236 WeakPolarHBondContact O-CA 3.49Å; I207-D237 PolarHBondContact O-N 3.49Å
208	Y	82.5	Confident	77	Confident	4 Å²	4	13.8 Å²	13.8	2%	0.016	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	116.8	-175	-151.2	-62.2	0	0	0	112.1	F146 K147 V151 L153 L154 V155 D237 Y239	F146-Y208 AromaticContact CD1-CD1 3.76Å; F146-Y208 HydrophobicContact CD1-CD1 3.76Å; F146-Y208 HydrophobicContact CD1-CD2 4.01Å; F146-Y208 HydrophobicContact CD1-CE1 4.02Å; F146-Y208 HydrophobicContact CD1-CE2 4.22Å; F146-Y208 AromaticContact CD1-CG 3.82Å; F146-Y208 HydrophobicContact CD1-CG 3.82Å; F146-Y208 AromaticContact CE1-CD1 3.67Å; F146-Y208 HydrophobicContact CE1-CD1 3.67Å; F146-Y208 AromaticContact CE1-CE1 3.73Å; F146-Y208 HydrophobicContact CE1-CE1 3.73Å; F146-Y208 HydrophobicContact CE1-CG 4.23Å; K147-Y208 HydrophobicContact CD-CE1 4.08Å; K147-Y208 HydrophobicContact CD-CE2 4.17Å; K147-Y208 WeakPolarHBondContact CD-OH 2.96Å; K147-Y208 PolarHBondContact NZ-OH 3.17Å; V151-Y208 HydrophobicContact CG2-CD2 4.09Å; V151-Y208 HydrophobicContact CG2-CG 4.42Å; L153-Y208 PolarHBondContact O-N 2.89Å; L154-Y208 WeakPolarHBondContact CA-O 3.19Å; L154-Y208 HydrophobicContact CD1-CD1 4.34Å; L154-Y208 HydrophobicContact CD1-CG 4.26Å; V155-Y208 PolarHBondContact N-O 3.49Å; Y208-D237 WeakPolarHBondContact CA-O 3.32Å; Y208-D237 HydrophobicContact CD1-CB 4.36Å; Y208-D237 HydrophobicContact CD2-CB 3.67Å; Y208-D237 HydrophobicContact CE1-CB 4.01Å; Y208-D237 HydrophobicContact CE2-CB 3.28Å; Y208-D237 WeakPolarHBondContact CE2-OD2 3.21Å; Y208-D237 HydrophobicContact CG-CB 4.16Å; Y208-D237 PolarHBondContact OH-OD2 2.94Å; Y208-Y239 HydrophobicContact CE1-CD2 4.1Å; Y208-Y239 VanDerWaalsContact OH-CE2 3.31Å; Y208-Y239 WeakPolarHBondContact OH-CE2 3.49Å
209	F	83.9	Confident	76.4	Confident	1 Å²	1	12.1 Å²	12.1	0%	0.004	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.1	169	-72.2	-107.7	0	0	0	109.9	V155 L194 I207 L215 P219 W224 D237 L238 Y239	V155-F209 HydrophobicContact CB-CD1 3.66Å; V155-F209 HydrophobicContact CB-CE1 3.75Å; V155-F209 HydrophobicContact CB-CG 4.18Å; V155-F209 HydrophobicContact CB-CZ 4.34Å; V155-F209 HydrophobicContact CG1-CD1 3.87Å; V155-F209 HydrophobicContact CG1-CE1 3.85Å; V155-F209 HydrophobicContact CG2-CD1 4.17Å; V155-F209 HydrophobicContact CG2-CE1 3.77Å; V155-F209 HydrophobicContact CG2-CE2 4.42Å; V155-F209 HydrophobicContact CG2-CZ 3.91Å; V155-F209 WeakPolarHBondContact O-CA 3.34Å; L194-F209 HydrophobicContact CD2-CE1 4.2Å; L194-F209 HydrophobicContact CD2-CZ 4.38Å; I207-F209 HydrophobicContact CG2-CD2 3.97Å; I207-F209 HydrophobicContact CG2-CE2 3.63Å; F209-L215 HydrophobicContact CD1-CD2 3.98Å; F209-L215 HydrophobicContact CE1-CD2 3.83Å; F209-P219 HydrophobicContact CD1-CG 4.44Å; F209-W224 AromaticContact CE2-CH2 3.73Å; F209-W224 HydrophobicContact CE2-CH2 3.73Å; F209-W224 AromaticContact CE2-CZ2 3.82Å; F209-W224 HydrophobicContact CE2-CZ2 3.82Å; F209-W224 HydrophobicContact CZ-CH2 4.08Å; F209-W224 HydrophobicContact CZ-CZ2 4.26Å; F209-D237 PolarHBondContact N-O 3.27Å; F209-L238 HydrophobicContact CB-CD2 4.37Å; F209-L238 HydrophobicContact CD2-CD2 3.55Å; F209-L238 HydrophobicContact CE2-CD2 4.18Å; F209-L238 HydrophobicContact CG-CD2 4.23Å; F209-Y239 PolarHBondContact O-N 3.3Å
210	Y	79.7	Confident	75.6	Confident	45 Å²	45	15.6 Å²	15.6	18%	0.176	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	133.2	175.4	-170.4	-108.6	0	0	0	111.4	V155 V156 S157 N212 Y239 H242	V155-Y210 PolarHBondContact O-N 3Å; V156-Y210 VanDerWaalsContact CA-O 3.24Å; V156-Y210 WeakPolarHBondContact CA-O 3.48Å; V156-Y210 HydrophobicContact CG1-CD1 4.09Å; S157-Y210 PolarHBondContact N-O 2.93Å; Y210-N212 PolarHBondContact N-ND2 2.86Å; Y210-N212 PolarHBondContact O-ND2 2.96Å; Y210-Y239 CarbonylContact C-O 3.52Å; Y210-Y239 WeakPolarHBondContact CA-O 3.17Å; Y210-Y239 HydrophobicContact CD2-CG 4.44Å; Y210-H242 PolarHBondContact OH-CD2 3.18Å; Y210-H242 VanDerWaalsContact OH-CD2 3.32Å; Y210-H242 PolarHBondContact OH-NE2 2.94Å
211	D	78.1	Confident	75.7	Confident	18 Å²	18	15.2 Å²	15.2	10%	0.096	8%	0.075	C	C	.	.	S	Bend	trans	59.9	56.7	165.1	-176.7	44.1	0	0	0	113.1	S157 Y239	S157-D211 WeakPolarHBondContact CA-O 3.36Å; S157-D211 WeakPolarHBondContact CB-OD2 3.32Å; S157-D211 PolarHBondContact N-O 3.26Å; S157-D211 PolarHBondContact OG-OD2 3.28Å; D211-Y239 PolarHBondContact N-O 3.35Å
212	N	77.7	Confident	75.8	Confident	2 Å²	2	15.4 Å²	15.4	1%	0.011	8%	0.075	C	C	.	.			trans	-126.7	64.9	-179.3	-59.6	-74.6	0	0	0	111.1	V155 N158 Y210 G214 L215 A240	V155-N212 PolarHBondContact O-ND2 2.83Å; N158-N212 WeakPolarHBondContact CB-OD1 3.49Å; N158-N212 PolarHBondContact N-OD1 3.1Å; N158-N212 PolarHBondContact ND2-OD1 3.37Å; Y210-N212 PolarHBondContact N-ND2 2.86Å; Y210-N212 PolarHBondContact O-ND2 2.96Å; N212-G214 PolarHBondContact O-N 2.91Å; N212-L215 HydrophobicContact CB-CB 4.06Å; N212-L215 HydrophobicContact CB-CD2 4.17Å; N212-L215 WeakPolarHBondContact O-CB 3.45Å; N212-L215 PolarHBondContact O-N 3.02Å; N212-A240 CarbonylContact C-O 3.59Å; N212-A240 WeakPolarHBondContact CA-O 3.33Å; N212-A240 PolarHBondContact N-O 2.89Å
213	P	70.2	Confident	75.8	Confident	34 Å²	34	15.6 Å²	15.6	22%	0.221	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.6	-166.1	22.9	-34.6	0	0	0	115.5	L241 W250	P213-L241 HydrophobicContact CB-CD2 4.09Å; P213-W250 VanDerWaalsContact O-CD1 3.26Å; P213-W250 PolarHBondContact O-NE1 2.99Å
214	G	72.9	Confident	75.8	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.01	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-15.9	176.3	0	0	0	0	0	115.7	L191 Q192 N212 C216	L191-G214 CarbonylContact O-C 3.34Å; L191-G214 VanDerWaalsContact O-C 3.23Å; L191-G214 WeakPolarHBondContact O-CA 3.24Å; Q192-G214 WeakPolarHBondContact CA-O 3.28Å; N212-G214 PolarHBondContact O-N 2.91Å; G214-C216 PolarHBondContact O-N 2.76Å
215	L	79.3	Confident	75.5	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.074	C	C	.	.			trans	-94.4	84.5	-160.3	-174.2	65.4	0	0	0	112.7	L191 L194 F209 N212	L191-L215 PolarHBondContact O-N 3.22Å; L194-L215 HydrophobicContact CB-CD1 4.03Å; F209-L215 HydrophobicContact CD1-CD2 3.98Å; F209-L215 HydrophobicContact CE1-CD2 3.83Å; N212-L215 HydrophobicContact CB-CB 4.06Å; N212-L215 HydrophobicContact CB-CD2 4.17Å; N212-L215 WeakPolarHBondContact O-CB 3.45Å; N212-L215 PolarHBondContact O-N 3.02Å
216	C	72.5	Confident	75.1	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.007	7%	0.072	C	C	.	.			trans	-72.5	-34.7	-166.6	-70.8	0	0	0	0	116.7	G214 C254 Y258 L521	G214-C216 PolarHBondContact O-N 2.76Å; C216-C254 VanDerWaalsContact CA-SG 3.57Å; C216-C254 HydrophobicContact CB-CB 3.73Å; C216-C254 WeakPolarHBondContact CB-SG 3.36Å; C216-C254 VanDerWaalsContact SG-CA 3.54Å; C216-C254 WeakPolarHBondContact SG-CB 3.25Å; C216-C254 CovalentContact SG-SG 2.04Å; C216-C254 PolarHBondContact SG-SG 2.82Å; C216-Y258 HydrophobicContact CB-CD2 4.17Å; C216-Y258 HydrophobicContact CB-CE2 3.72Å; C216-L521 HydrophobicContact CB-CD1 3.87Å; C216-L521 VanDerWaalsContact O-CD1 3.27Å; C216-L521 WeakPolarHBondContact O-CD1 3.46Å
217	Y	77.6	Confident	75.3	Confident	7 Å²	7	14.9 Å²	14.9	3%	0.027	7%	0.073	C	C	.	.	S	Bend	trans	-94.7	-65.1	-166.7	-82.6	-100.8	0	0	0	113.8	P219 F220 T221 Y258 L521 W537 P539	Y217-P219 VanDerWaalsContact C-N 3.33Å; Y217-P219 WeakPolarHBondContact O-CD 3.09Å; Y217-F220 PolarHBondContact O-N 2.64Å; Y217-T221 VanDerWaalsContact C-OG1 3.24Å; Y217-T221 HydrophobicContact CD1-CG2 3.79Å; Y217-T221 HydrophobicContact CE1-CG2 4.46Å; Y217-T221 HydrophobicContact CG-CG2 4.49Å; Y217-T221 PolarHBondContact O-N 3.36Å; Y217-T221 PolarHBondContact O-OG1 2.88Å; Y217-Y258 HydrophobicContact CD2-CE2 4.31Å; Y217-Y258 AromaticContact CE2-CD1 3.77Å; Y217-Y258 HydrophobicContact CE2-CD1 3.77Å; Y217-Y258 AromaticContact CE2-CD2 3.76Å; Y217-Y258 HydrophobicContact CE2-CD2 3.76Å; Y217-Y258 AromaticContact CE2-CE1 3.89Å; Y217-Y258 HydrophobicContact CE2-CE1 3.89Å; Y217-Y258 AromaticContact CE2-CE2 3.89Å; Y217-Y258 HydrophobicContact CE2-CE2 3.89Å; Y217-Y258 AromaticContact CE2-CG 3.7Å; Y217-Y258 HydrophobicContact CE2-CG 3.7Å; Y217-Y258 AromaticContact CE2-CZ 3.95Å; Y217-L521 HydrophobicContact CD1-CB 4.26Å; Y217-L521 HydrophobicContact CD2-CD1 4.08Å; Y217-L521 HydrophobicContact CE1-CB 3.75Å; Y217-L521 HydrophobicContact CE2-CB 4.49Å; Y217-L521 HydrophobicContact CE2-CD1 4.01Å; Y217-L521 HydrophobicContact CG-CD1 4.33Å; Y217-W537 WeakPolarHBondContact CB-O 3.17Å; Y217-P539 HydrophobicContact CE1-CB 4.47Å; Y217-P539 HydrophobicContact CE2-CG 4.48Å
218	T	73.7	Confident	74.7	Confident	1 Å²	1	15 Å²	15	1%	0.006	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.1	-162.7	59	0	0	0	0	116.6	L194 F220 L222 W224 W537	L194-T218 HydrophobicContact CB-CG2 4.41Å; L194-T218 WeakPolarHBondContact O-CG2 3.37Å; T218-F220 VanDerWaalsContact C-N 3.26Å; T218-F220 PolarHBondContact O-N 3.49Å; T218-L222 HydrophobicContact CG2-CD1 4.36Å; T218-L222 WeakPolarHBondContact O-CD1 3.42Å; T218-W224 WeakPolarHBondContact O-CZ2 3.24Å; T218-W537 HydrophobicContact CG2-CE3 3.59Å; T218-W537 HydrophobicContact CG2-CZ3 4.18Å
219	P	66.5	Low	73.7	Confident	3 Å²	3	18.8 Å²	18.8	2%	0.019	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.1	176.6	-17.1	32.5	0	0	0	114.3	F209 Y217 L238 A240	F209-P219 HydrophobicContact CD1-CG 4.44Å; Y217-P219 VanDerWaalsContact C-N 3.33Å; Y217-P219 WeakPolarHBondContact O-CD 3.09Å; P219-L238 WeakPolarHBondContact O-CD1 3.38Å; P219-A240 HydrophobicContact CG-CB 4.2Å
220	F	68.9	Low	72.1	Confident	73 Å²	73	23.1 Å²	23.1	32%	0.32	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-17.9	-169.9	-55.3	-67.1	0	0	0	115.5	Y217 T218 A240 W250 K533	Y217-F220 PolarHBondContact O-N 2.64Å; T218-F220 VanDerWaalsContact C-N 3.26Å; T218-F220 PolarHBondContact O-N 3.49Å; F220-A240 HydrophobicContact CE2-CB 3.96Å; F220-A240 HydrophobicContact CZ-CB 4.31Å; F220-W250 AromaticContact CD2-CH2 3.72Å; F220-W250 HydrophobicContact CD2-CH2 3.72Å; F220-W250 HydrophobicContact CD2-CZ3 4.04Å; F220-W250 AromaticContact CE2-CH2 3.45Å; F220-W250 HydrophobicContact CE2-CH2 3.45Å; F220-W250 VanDerWaalsContact CE2-CH2 3.45Å; F220-W250 HydrophobicContact CE2-CZ2 4.45Å; F220-W250 AromaticContact CE2-CZ3 3.64Å; F220-W250 HydrophobicContact CE2-CZ3 3.64Å; F220-K533 PolarHBondContact O-NZ 2.7Å
221	T	77.1	Confident	70.2	Confident	6 Å²	6	24.8 Å²	24.8	4%	0.037	14%	0.14	C	C	.	.	S	Bend	trans	-99.1	2.2	-179.7	58.6	0	0	0	0	114.8	Y217 L521 Y535 C536	Y217-T221 VanDerWaalsContact C-OG1 3.24Å; Y217-T221 HydrophobicContact CD1-CG2 3.79Å; Y217-T221 HydrophobicContact CE1-CG2 4.46Å; Y217-T221 HydrophobicContact CG-CG2 4.49Å; Y217-T221 PolarHBondContact O-N 3.36Å; Y217-T221 PolarHBondContact O-OG1 2.88Å; T221-L521 HydrophobicContact CG2-CB 4.24Å; T221-Y535 CarbonylContact O-C 3.27Å; T221-Y535 VanDerWaalsContact O-CA 3.22Å; T221-Y535 WeakPolarHBondContact O-CA 3.32Å; T221-C536 CarbonylContact C-O 3.6Å; T221-C536 WeakPolarHBondContact CB-O 3.26Å; T221-C536 PolarHBondContact O-N 3.06Å; T221-C536 PolarHBondContact OG1-O 3.08Å
222	L	78.5	Confident	69	Low	9 Å²	9	26 Å²	26	5%	0.047	15%	0.145	C	C	.	.	S	Bend	trans	-101.9	149.5	177.9	-64.3	174.2	0	0	0	112.9	T218 W224 C536 W537 Q545	T218-L222 HydrophobicContact CG2-CD1 4.36Å; T218-L222 WeakPolarHBondContact O-CD1 3.42Å; L222-W224 HydrophobicContact CB-CD2 4.35Å; L222-W224 HydrophobicContact CB-CZ2 4.32Å; L222-W224 HydrophobicContact CD1-CH2 3.74Å; L222-W224 HydrophobicContact CD1-CZ2 3.67Å; L222-W224 HydrophobicContact CD1-CZ3 4.34Å; L222-C536 WeakPolarHBondContact CD2-O 3.47Å; L222-W537 HydrophobicContact CD1-CD2 4.05Å; L222-W537 HydrophobicContact CD1-CE3 3.7Å; L222-W537 HydrophobicContact CD1-CH2 3.63Å; L222-W537 HydrophobicContact CD1-CZ2 4.01Å; L222-W537 HydrophobicContact CD1-CZ3 3.48Å; L222-W537 VanDerWaalsContact CD1-CZ3 3.48Å; L222-W537 HydrophobicContact CD2-CD2 3.85Å; L222-W537 HydrophobicContact CD2-CE3 4.35Å; L222-W537 HydrophobicContact CD2-CG 4.09Å; L222-W537 HydrophobicContact CD2-CZ2 4.18Å; L222-Q545 HydrophobicContact CD2-CB 4.24Å
223	K	76.5	Confident	67.8	Low	5 Å²	5	29.1 Å²	29.1	2%	0.022	16%	0.162	C	C	.	.			trans	-96.3	78	174.4	-163.9	173.6	-179.3	-67.7	0	108.9	D225 E226 I530 Y535 Q545	K223-D225 WeakPolarHBondContact CG-OD1 3.13Å; K223-D225 IonicContact NZ-OD1 3.59Å; K223-D225 IonicContact NZ-OD2 2.76Å; K223-D225 PolarHBondContact NZ-OD2 2.75Å; K223-D225 PolarHBondContact O-N 2.93Å; K223-E226 HydrophobicContact CB-CG 4.1Å; K223-E226 HydrophobicContact CD-CG 3.81Å; K223-E226 HydrophobicContact CG-CG 3.89Å; K223-E226 IonicContact NZ-OE1 3.69Å; K223-E226 PolarHBondContact NZ-OE1 3.09Å; K223-E226 WeakPolarHBondContact O-CB 2.96Å; K223-E226 PolarHBondContact O-N 3.28Å; K223-E226 VanDerWaalsContact O-N 3.08Å; K223-I530 HydrophobicContact CD-CD1 4.46Å; K223-Y535 HydrophobicContact CB-CD1 3.55Å; K223-Y535 HydrophobicContact CB-CD2 4.33Å; K223-Y535 HydrophobicContact CB-CE1 3.65Å; K223-Y535 HydrophobicContact CB-CE2 4.48Å; K223-Y535 HydrophobicContact CB-CG 3.86Å; K223-Y535 HydrophobicContact CD-CD2 4.29Å; K223-Y535 HydrophobicContact CD-CE1 4.39Å; K223-Y535 HydrophobicContact CD-CE2 3.98Å; K223-Y535 HydrophobicContact CG-CD1 4.4Å; K223-Y535 HydrophobicContact CG-CE1 4.04Å; K223-Q545 PolarHBondContact O-NE2 2.74Å; K223-Q545 VanDerWaalsContact O-NE2 3.14Å
224	W	75.5	Confident	66.5	Low	18 Å²	18	34.6 Å²	34.6	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-22.9	-173.9	-65.1	109	0	0	0	113.9	I207 F209 T218 L222 E226 M227 I228 I236 L238	I207-W224 HydrophobicContact CD1-CE3 3.66Å; I207-W224 HydrophobicContact CD1-CH2 4.42Å; I207-W224 HydrophobicContact CD1-CZ3 3.46Å; I207-W224 VanDerWaalsContact CD1-CZ3 3.46Å; I207-W224 HydrophobicContact CG2-CH2 4.22Å; I207-W224 HydrophobicContact CG2-CZ3 4.21Å; F209-W224 AromaticContact CE2-CH2 3.73Å; F209-W224 HydrophobicContact CE2-CH2 3.73Å; F209-W224 AromaticContact CE2-CZ2 3.82Å; F209-W224 HydrophobicContact CE2-CZ2 3.82Å; F209-W224 HydrophobicContact CZ-CH2 4.08Å; F209-W224 HydrophobicContact CZ-CZ2 4.26Å; T218-W224 WeakPolarHBondContact O-CZ2 3.24Å; L222-W224 HydrophobicContact CB-CD2 4.35Å; L222-W224 HydrophobicContact CB-CZ2 4.32Å; L222-W224 HydrophobicContact CD1-CH2 3.74Å; L222-W224 HydrophobicContact CD1-CZ2 3.67Å; L222-W224 HydrophobicContact CD1-CZ3 4.34Å; W224-E226 VanDerWaalsContact C-N 3.26Å; W224-E226 PolarHBondContact O-N 2.78Å; W224-M227 HydrophobicContact CE3-SD 3.85Å; W224-M227 HydrophobicContact CZ3-SD 4.07Å; W224-M227 PolarHBondContact O-N 3.37Å; W224-I228 PolarHBondContact O-N 2.9Å; W224-I236 HydrophobicContact CB-CD1 3.96Å; W224-L238 HydrophobicContact CZ2-CD2 4.19Å
225	D	66.1	Low	65.6	Low	74 Å²	74	35.8 Å²	35.8	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-72.5	-12.4	175	60.2	-68.8	0	0	0	114.3	K223 L233 K549	K223-D225 WeakPolarHBondContact CG-OD1 3.13Å; K223-D225 IonicContact NZ-OD1 3.59Å; K223-D225 IonicContact NZ-OD2 2.76Å; K223-D225 PolarHBondContact NZ-OD2 2.75Å; K223-D225 PolarHBondContact O-N 2.93Å; D225-L233 HydrophobicContact CB-CD2 4.03Å; D225-K549 PolarHBondContact O-NZ 3.27Å
226	E	68	Low	64.6	Low	7 Å²	7	37.2 Å²	37.2	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-68.6	-46.6	160.6	-65.8	-69.1	126	0	0	110.4	K223 W224 I228 V547 H548 K549	K223-E226 HydrophobicContact CB-CG 4.1Å; K223-E226 HydrophobicContact CD-CG 3.81Å; K223-E226 HydrophobicContact CG-CG 3.89Å; K223-E226 IonicContact NZ-OE1 3.69Å; K223-E226 PolarHBondContact NZ-OE1 3.09Å; K223-E226 WeakPolarHBondContact O-CB 2.96Å; K223-E226 PolarHBondContact O-N 3.28Å; K223-E226 VanDerWaalsContact O-N 3.08Å; W224-E226 VanDerWaalsContact C-N 3.26Å; W224-E226 PolarHBondContact O-N 2.78Å; E226-I228 PolarHBondContact O-N 3.37Å; E226-V547 WeakPolarHBondContact OE2-CG1 3.39Å; E226-H548 PolarHBondContact OE2-N 2.96Å; E226-K549 WeakPolarHBondContact O-CD 3.35Å; E226-K549 PolarHBondContact O-NZ 3.22Å; E226-K549 WeakPolarHBondContact OE2-CB 3.42Å; E226-K549 PolarHBondContact OE2-N 3Å; E226-K549 VanDerWaalsContact OE2-N 3.09Å
227	M	73.8	Confident	63.9	Low	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-85.5	-8.3	-162	-66.3	162.7	166.8	0	0	115.7	F199 I200 S201 V202 W224 W537 Q545	F199-M227 HydrophobicContact CD1-CE 4.18Å; F199-M227 HydrophobicContact CD1-SD 4.13Å; F199-M227 HydrophobicContact CE1-SD 4.49Å; F199-M227 WeakPolarHBondContact O-CE 3.4Å; I200-M227 WeakPolarHBondContact O-CA 3.28Å; S201-M227 CarbonylContact C-O 3.28Å; S201-M227 VanDerWaalsContact CA-O 3.29Å; S201-M227 WeakPolarHBondContact CA-O 3.41Å; V202-M227 PolarHBondContact N-O 3.16Å; W224-M227 HydrophobicContact CE3-SD 3.85Å; W224-M227 HydrophobicContact CZ3-SD 4.07Å; W224-M227 PolarHBondContact O-N 3.37Å; M227-W537 HydrophobicContact CE-CH2 4.33Å; M227-W537 HydrophobicContact CE-CZ2 3.58Å; M227-Q545 HydrophobicContact CE-CG 3.99Å
228	I	69.5	Low	63.3	Low	3 Å²	3	39.7 Å²	39.7	2%	0.015	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-132.5	147.2	-174.8	-62.6	164.7	0	0	0	108.9	V202 I207 W224 E226 E232 I236 K549	V202-I228 HydrophobicContact CB-CG1 4.44Å; I207-I228 HydrophobicContact CD1-CD1 3.75Å; I207-I228 HydrophobicContact CD1-CG1 4.31Å; I207-I228 HydrophobicContact CG1-CD1 3.97Å; W224-I228 PolarHBondContact O-N 2.9Å; E226-I228 PolarHBondContact O-N 3.37Å; I228-E232 HydrophobicContact CG2-CB 3.44Å; I228-E232 VanDerWaalsContact CG2-CB 3.44Å; I228-I236 HydrophobicContact CD1-CD1 3.63Å; I228-I236 HydrophobicContact CD1-CG1 3.52Å; I228-K549 PolarHBondContact O-NZ 3.43Å
229	E	62.1	Low	62.6	Low	83 Å²	83	44.8 Å²	44.8	39%	0.388	23%	0.232	S	C	.	.			trans	-65.4	150.6	171.8	-68.7	-150.8	142.9	0	0	112	S231 E232 L233	E229-S231 WeakPolarHBondContact CB-OG 3.22Å; E229-S231 PolarHBondContact O-N 2.84Å; E229-S231 PolarHBondContact OE2-OG 2.84Å; E229-E232 PolarHBondContact O-N 3.46Å; E229-L233 PolarHBondContact O-N 3.03Å
230	S	49.3	Very low	62.2	Low	93 Å²	93	44.9 Å²	44.9	65%	0.65	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.9	179.7	51.8	0	0	0	0	114.1
231	S	40.7	Very low	61.7	Low	79 Å²	79	42.5 Å²	42.5	55%	0.552	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-39.7	169.6	42.9	0	0	0	0	113	E229	E229-S231 WeakPolarHBondContact CB-OG 3.22Å; E229-S231 PolarHBondContact O-N 2.84Å; E229-S231 PolarHBondContact OE2-OG 2.84Å
232	E	52.9	Low	60.7	Low	45 Å²	45	44.8 Å²	44.8	21%	0.21	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-8.3	-170.3	-74	-79.6	-156.9	0	0	113.4	H205 I228 E229 Q234 T235	H205-E232 WeakPolarHBondContact CA-OE1 3.36Å; H205-E232 PolarHBondContact N-OE1 2.9Å; I228-E232 HydrophobicContact CG2-CB 3.44Å; I228-E232 VanDerWaalsContact CG2-CB 3.44Å; E229-E232 PolarHBondContact O-N 3.46Å; E232-Q234 PolarHBondContact O-N 2.98Å; E232-T235 WeakPolarHBondContact O-CB 3.48Å; E232-T235 WeakPolarHBondContact O-CG2 3.07Å; E232-T235 PolarHBondContact O-N 3.44Å; E232-T235 PolarHBondContact O-OG1 2.88Å; E232-T235 WeakPolarHBondContact OE2-CG2 3.35Å
233	L	52.6	Low	59.1	Low	67 Å²	67	49.2 Å²	49.2	35%	0.351	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-48.9	-30.1	179.3	-79.8	175.7	0	0	0	115	D225 E229 T235 I236	D225-L233 HydrophobicContact CB-CD2 4.03Å; E229-L233 PolarHBondContact O-N 3.03Å; L233-T235 PolarHBondContact O-N 2.63Å; L233-I236 HydrophobicContact CD2-CD1 3.91Å
234	Q	42.6	Very low	57.5	Low	149 Å²	149	55.8 Å²	55.8	70%	0.696	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-70.8	-9.7	179.6	-60.2	-172.6	5.2	0	0	113.8	R149 E232	R149-Q234 PolarHBondContact NH1-O 3.44Å; E232-Q234 PolarHBondContact O-N 2.98Å
235	T	53.5	Low	56.3	Low	26 Å²	26	58.6 Å²	58.6	16%	0.16	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-91	-13.8	-176	65.2	0	0	0	0	114.1	R149 G206 E232 L233	R149-T235 PolarHBondContact NH1-O 3.3Å; G206-T235 WeakPolarHBondContact CA-OG1 3.47Å; E232-T235 WeakPolarHBondContact O-CB 3.48Å; E232-T235 WeakPolarHBondContact O-CG2 3.07Å; E232-T235 PolarHBondContact O-N 3.44Å; E232-T235 PolarHBondContact O-OG1 2.88Å; E232-T235 WeakPolarHBondContact OE2-CG2 3.35Å; L233-T235 PolarHBondContact O-N 2.63Å
236	I	58.2	Low	56	Low	31 Å²	31	59.6 Å²	59.6	16%	0.159	32%	0.322	C	S	.	.			trans	-64.7	132.2	178.2	-55.3	164.5	0	0	0	110.7	R149 I207 W224 I228 L233 L238	R149-I236 VanDerWaalsContact NH1-C 3.3Å; R149-I236 PolarHBondContact NH1-O 2.86Å; I207-I236 WeakPolarHBondContact O-CA 3.49Å; W224-I236 HydrophobicContact CB-CD1 3.96Å; I228-I236 HydrophobicContact CD1-CD1 3.63Å; I228-I236 HydrophobicContact CD1-CG1 3.52Å; L233-I236 HydrophobicContact CD2-CD1 3.91Å; I236-L238 HydrophobicContact CG2-CD1 3.77Å; I236-L238 HydrophobicContact CG2-CD2 4.14Å; I236-L238 HydrophobicContact CG2-CG 3.74Å
237	D	58.4	Low	55.6	Low	22 Å²	22	61.8 Å²	61.8	12%	0.118	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	122.1	173.4	-108.7	-2.5	0	0	0	109.9	R149 I207 Y208 F209 Y239	R149-D237 IonicContact CZ-OD1 3.8Å; R149-D237 VanDerWaalsContact CZ-OD1 3.27Å; R149-D237 IonicContact CZ-OD2 3.65Å; R149-D237 IonicContact NE-OD2 2.74Å; R149-D237 PolarHBondContact NE-OD2 3.12Å; R149-D237 IonicContact NH1-OD1 3Å; R149-D237 PolarHBondContact NH1-OD1 2.77Å; R149-D237 IonicContact NH1-OD2 3.27Å; R149-D237 IonicContact NH2-OD1 3.21Å; R149-D237 PolarHBondContact NH2-OD1 3.21Å; R149-D237 IonicContact NH2-OD2 3.95Å; R149-D237 PolarHBondContact NH2-OD2 2.8Å; I207-D237 PolarHBondContact O-N 3.49Å; Y208-D237 WeakPolarHBondContact CA-O 3.32Å; Y208-D237 HydrophobicContact CD1-CB 4.36Å; Y208-D237 HydrophobicContact CD2-CB 3.67Å; Y208-D237 HydrophobicContact CE1-CB 4.01Å; Y208-D237 HydrophobicContact CE2-CB 3.28Å; Y208-D237 WeakPolarHBondContact CE2-OD2 3.21Å; Y208-D237 HydrophobicContact CG-CB 4.16Å; Y208-D237 PolarHBondContact OH-OD2 2.94Å; F209-D237 PolarHBondContact N-O 3.27Å; D237-Y239 HydrophobicContact CB-CD2 4.23Å; D237-Y239 HydrophobicContact CB-CE2 3.85Å; D237-Y239 VanDerWaalsContact CG-CE2 3.47Å
238	L	64.7	Low	55.1	Low	38 Å²	38	65.6 Å²	65.6	20%	0.199	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	73.9	-165.2	-61.3	170.6	0	0	0	112.3	F209 P219 W224 I236	F209-L238 HydrophobicContact CB-CD2 4.37Å; F209-L238 HydrophobicContact CD2-CD2 3.55Å; F209-L238 HydrophobicContact CE2-CD2 4.18Å; F209-L238 HydrophobicContact CG-CD2 4.23Å; P219-L238 WeakPolarHBondContact O-CD1 3.38Å; W224-L238 HydrophobicContact CZ2-CD2 4.19Å; I236-L238 HydrophobicContact CG2-CD1 3.77Å; I236-L238 HydrophobicContact CG2-CD2 4.14Å; I236-L238 HydrophobicContact CG2-CG 3.74Å
239	Y	59.5	Low	54.7	Low	108 Å²	108	68.9 Å²	68.9	42%	0.424	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	89.5	179.8	-59.4	-86.3	0	0	0	110.9	Y208 F209 Y210 D211 D237 L241	Y208-Y239 HydrophobicContact CE1-CD2 4.1Å; Y208-Y239 VanDerWaalsContact OH-CE2 3.31Å; Y208-Y239 WeakPolarHBondContact OH-CE2 3.49Å; F209-Y239 PolarHBondContact O-N 3.3Å; Y210-Y239 CarbonylContact C-O 3.52Å; Y210-Y239 WeakPolarHBondContact CA-O 3.17Å; Y210-Y239 HydrophobicContact CD2-CG 4.44Å; D211-Y239 PolarHBondContact N-O 3.35Å; D237-Y239 HydrophobicContact CB-CD2 4.23Å; D237-Y239 HydrophobicContact CB-CE2 3.85Å; D237-Y239 VanDerWaalsContact CG-CE2 3.47Å; Y239-L241 PolarHBondContact O-N 2.95Å
240	A	58.3	Low	55	Low	5 Å²	5	66 Å²	66	4%	0.041	36%	0.36	C	S	.	.	S	Bend	trans	-62.1	-22.7	176	0	0	0	0	0	113.5	N212 P219 F220 W250	N212-A240 CarbonylContact C-O 3.59Å; N212-A240 WeakPolarHBondContact CA-O 3.33Å; N212-A240 PolarHBondContact N-O 2.89Å; P219-A240 HydrophobicContact CG-CB 4.2Å; F220-A240 HydrophobicContact CE2-CB 3.96Å; F220-A240 HydrophobicContact CZ-CB 4.31Å; A240-W250 HydrophobicContact CB-CH2 4.24Å; A240-W250 HydrophobicContact CB-CZ2 3.94Å
241	L	57.9	Low	55.7	Low	22 Å²	22	62.9 Å²	62.9	12%	0.115	34%	0.336	C	S	.	.	S	Bend	trans	-128.1	167	-172.7	-70.3	175.7	0	0	0	112.6	P213 Y239 D245 I247 W250	P213-L241 HydrophobicContact CB-CD2 4.09Å; Y239-L241 PolarHBondContact O-N 2.95Å; L241-D245 HydrophobicContact CB-CB 4.07Å; L241-D245 HydrophobicContact CD1-CB 4.1Å; L241-D245 HydrophobicContact CD2-CB 4.11Å; L241-D245 HydrophobicContact CG-CB 4.34Å; L241-I247 HydrophobicContact CD1-CG1 3.97Å; L241-W250 HydrophobicContact CD1-CB 3.66Å; L241-W250 HydrophobicContact CD1-CD2 4.26Å; L241-W250 HydrophobicContact CD1-CG 3.81Å; L241-W250 HydrophobicContact CD2-CB 4.27Å; L241-W250 HydrophobicContact CD2-CG 3.93Å; L241-W250 HydrophobicContact CG-CB 4.42Å; L241-W250 HydrophobicContact CG-CD2 4.44Å; L241-W250 HydrophobicContact CG-CG 4.1Å
242	H	56.6	Low	56.8	Low	55 Å²	55	62.9 Å²	62.9	26%	0.255	33%	0.327	S	S	.	.			trans	-76.4	156.3	166.8	-153.3	-76.9	0	0	0	110.7	Y210 N244 D245	Y210-H242 PolarHBondContact OH-CD2 3.18Å; Y210-H242 VanDerWaalsContact OH-CD2 3.32Å; Y210-H242 PolarHBondContact OH-NE2 2.94Å; H242-N244 PolarHBondContact O-N 3.42Å; H242-D245 WeakPolarHBondContact CA-OD2 3.46Å; H242-D245 WeakPolarHBondContact CB-OD2 3.33Å; H242-D245 PolarHBondContact N-OD2 3.33Å; H242-D245 PolarHBondContact O-N 3.38Å; H242-D245 VanDerWaalsContact O-N 3.08Å
243	S	45	Very low	57.6	Low	101 Å²	101	65 Å²	65	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-0.5	-176.1	52.3	0	0	0	0	116.9
244	N	41.6	Very low	58.5	Low	143 Å²	143	61.9 Å²	61.9	77%	0.765	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-4.8	-179.9	-61.1	-18.6	0	0	0	112.6	H242	H242-N244 PolarHBondContact O-N 3.42Å
245	D	51.7	Low	59.7	Low	78 Å²	78	57.1 Å²	57.1	42%	0.417	30%	0.295	S	S	.	.	S	Bend	trans	-85.2	147.4	-174.5	-56.3	-36.4	0	0	0	111.2	L241 H242 I247	L241-D245 HydrophobicContact CB-CB 4.07Å; L241-D245 HydrophobicContact CD1-CB 4.1Å; L241-D245 HydrophobicContact CD2-CB 4.11Å; L241-D245 HydrophobicContact CG-CB 4.34Å; H242-D245 WeakPolarHBondContact CA-OD2 3.46Å; H242-D245 WeakPolarHBondContact CB-OD2 3.33Å; H242-D245 PolarHBondContact N-OD2 3.33Å; H242-D245 PolarHBondContact O-N 3.38Å; H242-D245 VanDerWaalsContact O-N 3.08Å; D245-I247 PolarHBondContact O-N 3.42Å; D245-I247 VanDerWaalsContact O-N 3.17Å
246	N	58.8	Low	60.3	Low	94 Å²	94	58.2 Å²	58.2	50%	0.503	30%	0.304	S	S	.	.			trans	-79.2	102.9	-178.7	-175.8	-5.8	0	0	0	111.1	T248 L249 W250	N246-T248 PolarHBondContact O-N 3.49Å; N246-T248 VanDerWaalsContact OD1-CB 3.3Å; N246-T248 WeakPolarHBondContact OD1-CB 3.33Å; N246-T248 PolarHBondContact OD1-N 2.84Å; N246-L249 HydrophobicContact CB-CB 3.86Å; N246-L249 WeakPolarHBondContact O-CB 3.32Å; N246-L249 PolarHBondContact O-N 3.34Å; N246-L249 VanDerWaalsContact O-N 3.08Å; N246-L249 PolarHBondContact OD1-N 2.79Å; N246-W250 PolarHBondContact O-N 2.95Å
247	I	60.7	Low	60.8	Low	54 Å²	54	59.8 Å²	59.8	28%	0.277	31%	0.309	S	S	.	.	H	α-helix	trans	-51.9	-37.9	175.1	-70.9	174.3	0	0	0	112.1	L241 D245 W250 L251 M512 Y518	L241-I247 HydrophobicContact CD1-CG1 3.97Å; D245-I247 PolarHBondContact O-N 3.42Å; D245-I247 VanDerWaalsContact O-N 3.17Å; I247-W250 PolarHBondContact O-N 3.37Å; I247-L251 HydrophobicContact CG2-CD1 3.9Å; I247-L251 WeakPolarHBondContact O-CB 3.37Å; I247-L251 PolarHBondContact O-N 3.01Å; I247-M512 HydrophobicContact CD1-CE 3.83Å; I247-M512 HydrophobicContact CD1-SD 4.34Å; I247-Y518 HydrophobicContact CG2-CE1 4.25Å
248	T	61.9	Low	61.2	Low	81 Å²	81	62 Å²	62	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-45.8	178	-51.6	0	0	0	0	111.3	N246 W250 L251 E252	N246-T248 PolarHBondContact O-N 3.49Å; N246-T248 VanDerWaalsContact OD1-CB 3.3Å; N246-T248 WeakPolarHBondContact OD1-CB 3.33Å; N246-T248 PolarHBondContact OD1-N 2.84Å; T248-W250 VanDerWaalsContact C-N 3.28Å; T248-W250 PolarHBondContact O-N 3.1Å; T248-L251 WeakPolarHBondContact O-CB 3.38Å; T248-L251 PolarHBondContact O-N 3.01Å; T248-E252 WeakPolarHBondContact O-CB 3.38Å; T248-E252 VanDerWaalsContact O-CG 3.3Å; T248-E252 WeakPolarHBondContact O-CG 3.31Å; T248-E252 PolarHBondContact O-N 2.91Å
249	L	62	Low	61.1	Low	72 Å²	72	62.9 Å²	62.9	38%	0.377	32%	0.321	S	S	.	.	H	α-helix	trans	-63.8	-34.2	178.1	-171.6	71	0	0	0	112	N246 Y253	N246-L249 HydrophobicContact CB-CB 3.86Å; N246-L249 WeakPolarHBondContact O-CB 3.32Å; N246-L249 PolarHBondContact O-N 3.34Å; N246-L249 VanDerWaalsContact O-N 3.08Å; N246-L249 PolarHBondContact OD1-N 2.79Å; L249-Y253 WeakPolarHBondContact O-CB 3.28Å; L249-Y253 PolarHBondContact O-N 3.32Å
250	W	67.1	Low	61	Low	23 Å²	23	64.5 Å²	64.5	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-71.7	-40.9	174.7	178.3	81.1	0	0	0	112.6	P213 F220 A240 L241 N246 I247 T248 E252 Y253 C254	P213-W250 VanDerWaalsContact O-CD1 3.26Å; P213-W250 PolarHBondContact O-NE1 2.99Å; F220-W250 AromaticContact CD2-CH2 3.72Å; F220-W250 HydrophobicContact CD2-CH2 3.72Å; F220-W250 HydrophobicContact CD2-CZ3 4.04Å; F220-W250 AromaticContact CE2-CH2 3.45Å; F220-W250 HydrophobicContact CE2-CH2 3.45Å; F220-W250 VanDerWaalsContact CE2-CH2 3.45Å; F220-W250 HydrophobicContact CE2-CZ2 4.45Å; F220-W250 AromaticContact CE2-CZ3 3.64Å; F220-W250 HydrophobicContact CE2-CZ3 3.64Å; A240-W250 HydrophobicContact CB-CH2 4.24Å; A240-W250 HydrophobicContact CB-CZ2 3.94Å; L241-W250 HydrophobicContact CD1-CB 3.66Å; L241-W250 HydrophobicContact CD1-CD2 4.26Å; L241-W250 HydrophobicContact CD1-CG 3.81Å; L241-W250 HydrophobicContact CD2-CB 4.27Å; L241-W250 HydrophobicContact CD2-CG 3.93Å; L241-W250 HydrophobicContact CG-CB 4.42Å; L241-W250 HydrophobicContact CG-CD2 4.44Å; L241-W250 HydrophobicContact CG-CG 4.1Å; N246-W250 PolarHBondContact O-N 2.95Å; I247-W250 PolarHBondContact O-N 3.37Å; T248-W250 VanDerWaalsContact C-N 3.28Å; T248-W250 PolarHBondContact O-N 3.1Å; W250-E252 VanDerWaalsContact C-N 3.34Å; W250-Y253 WeakPolarHBondContact O-CB 3.4Å; W250-Y253 PolarHBondContact O-N 3.25Å; W250-C254 PolarHBondContact O-N 2.82Å; W250-C254 PolarHBondContact O-SG 2.98Å; W250-C254 VanDerWaalsContact O-SG 3.4Å
251	L	64.9	Low	60.8	Low	28 Å²	28	71.6 Å²	71.6	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-42.1	170.3	-89.6	156.2	0	0	0	111.4	I247 T248 C254 Q255 Y518	I247-L251 HydrophobicContact CG2-CD1 3.9Å; I247-L251 WeakPolarHBondContact O-CB 3.37Å; I247-L251 PolarHBondContact O-N 3.01Å; T248-L251 WeakPolarHBondContact O-CB 3.38Å; T248-L251 PolarHBondContact O-N 3.01Å; L251-C254 PolarHBondContact O-N 3.41Å; L251-Q255 VanDerWaalsContact O-CB 3.31Å; L251-Q255 WeakPolarHBondContact O-CB 3.26Å; L251-Q255 VanDerWaalsContact O-CG 3.23Å; L251-Q255 WeakPolarHBondContact O-CG 3.48Å; L251-Q255 PolarHBondContact O-N 3.14Å; L251-Y518 HydrophobicContact CD1-CD1 4.03Å
252	E	64.2	Low	60.3	Low	79 Å²	79	74.1 Å²	74.1	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-42.2	174.4	-74.3	167.9	169.7	0	0	111.9	T248 W250 Q255 C256 I265	T248-E252 WeakPolarHBondContact O-CB 3.38Å; T248-E252 VanDerWaalsContact O-CG 3.3Å; T248-E252 WeakPolarHBondContact O-CG 3.31Å; T248-E252 PolarHBondContact O-N 2.91Å; W250-E252 VanDerWaalsContact C-N 3.34Å; E252-Q255 PolarHBondContact O-N 2.96Å; E252-C256 WeakPolarHBondContact O-CB 3.34Å; E252-C256 PolarHBondContact O-N 3.32Å; E252-I265 HydrophobicContact CB-CD1 3.83Å; E252-I265 HydrophobicContact CG-CD1 4.23Å; E252-I265 WeakPolarHBondContact OE2-CD1 3.26Å
253	Y	68.5	Low	59.3	Low	89 Å²	89	79.3 Å²	79.3	35%	0.349	41%	0.412	S	S	.	.	H	α-helix	trans	-59	-51	172	168.1	-102.1	0	0	0	111.6	L249 W250 Q255 C256 K257	L249-Y253 WeakPolarHBondContact O-CB 3.28Å; L249-Y253 PolarHBondContact O-N 3.32Å; W250-Y253 WeakPolarHBondContact O-CB 3.4Å; W250-Y253 PolarHBondContact O-N 3.25Å; Y253-Q255 PolarHBondContact O-N 3.21Å; Y253-C256 PolarHBondContact O-N 3.33Å; Y253-K257 HydrophobicContact CE1-CD 4.31Å; Y253-K257 WeakPolarHBondContact O-CB 3.24Å; Y253-K257 PolarHBondContact O-N 3.4Å
254	C	71.3	Confident	58.8	Low	1 Å²	1	81.8 Å²	81.8	1%	0.007	42%	0.417	C	S	.	.	H	α-helix	trans	-64.5	-39.5	179	-68.9	0	0	0	0	112.6	C216 W250 L251 Y258 L521	C216-C254 VanDerWaalsContact CA-SG 3.57Å; C216-C254 HydrophobicContact CB-CB 3.73Å; C216-C254 WeakPolarHBondContact CB-SG 3.36Å; C216-C254 VanDerWaalsContact SG-CA 3.54Å; C216-C254 WeakPolarHBondContact SG-CB 3.25Å; C216-C254 CovalentContact SG-SG 2.04Å; C216-C254 PolarHBondContact SG-SG 2.82Å; W250-C254 PolarHBondContact O-N 2.82Å; W250-C254 PolarHBondContact O-SG 2.98Å; W250-C254 VanDerWaalsContact O-SG 3.4Å; L251-C254 PolarHBondContact O-N 3.41Å; C254-Y258 WeakPolarHBondContact O-CB 3.39Å; C254-Y258 WeakPolarHBondContact O-CD2 3.5Å; C254-Y258 PolarHBondContact O-N 2.81Å; C254-L521 HydrophobicContact CB-CD1 4.27Å; C254-L521 HydrophobicContact CB-CD2 4.39Å
255	Q	69	Low	58.4	Low	50 Å²	50	80.2 Å²	80.2	23%	0.234	41%	0.408	C	S	.	.	H	α-helix	trans	-70.2	-42	176.2	-72.3	-179.3	28.3	0	0	112.3	L251 E252 Y253 K257 L259	L251-Q255 VanDerWaalsContact O-CB 3.31Å; L251-Q255 WeakPolarHBondContact O-CB 3.26Å; L251-Q255 VanDerWaalsContact O-CG 3.23Å; L251-Q255 WeakPolarHBondContact O-CG 3.48Å; L251-Q255 PolarHBondContact O-N 3.14Å; E252-Q255 PolarHBondContact O-N 2.96Å; Y253-Q255 PolarHBondContact O-N 3.21Å; Q255-K257 VanDerWaalsContact C-N 3.3Å; Q255-K257 PolarHBondContact O-N 3.15Å; Q255-L259 HydrophobicContact CB-CD1 4.12Å; Q255-L259 HydrophobicContact CG-CD1 3.94Å; Q255-L259 WeakPolarHBondContact O-CA 3.34Å; Q255-L259 WeakPolarHBondContact O-CB 3.38Å; Q255-L259 PolarHBondContact O-N 3.1Å
256	C	66.4	Low	57.2	Low	49 Å²	49	84.8 Å²	84.8	33%	0.331	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.9	176.9	0	0	0	0	110.6	E252 Y253 N260 C262	E252-C256 WeakPolarHBondContact O-CB 3.34Å; E252-C256 PolarHBondContact O-N 3.32Å; Y253-C256 PolarHBondContact O-N 3.33Å; C256-N260 WeakPolarHBondContact O-CA 3.24Å; C256-N260 PolarHBondContact O-N 3.15Å; C256-C262 WeakPolarHBondContact CA-SG 3.44Å; C256-C262 HydrophobicContact CB-CB 4.05Å; C256-C262 WeakPolarHBondContact CB-SG 3.31Å; C256-C262 WeakPolarHBondContact SG-CB 3.24Å; C256-C262 CovalentContact SG-SG 2.04Å; C256-C262 PolarHBondContact SG-SG 2.96Å
257	K	67.8	Low	55.6	Low	64 Å²	64	87.9 Å²	87.9	28%	0.278	45%	0.445	S	S	.	.	H	α-helix	trans	-68.8	-38.4	179.5	-174.9	-177.7	176.5	-153.6	0	115.1	Q192 Y253 Q255	Q192-K257 VanDerWaalsContact OE1-CE 3.3Å; Y253-K257 HydrophobicContact CE1-CD 4.31Å; Y253-K257 WeakPolarHBondContact O-CB 3.24Å; Y253-K257 PolarHBondContact O-N 3.4Å; Q255-K257 VanDerWaalsContact C-N 3.3Å; Q255-K257 PolarHBondContact O-N 3.15Å
258	Y	67.1	Low	54	Low	68 Å²	68	91 Å²	91	27%	0.267	47%	0.472	S	S	.	.	H	α-helix	trans	-113.2	-12.8	-172.6	-67.8	-78.3	0	0	0	115.2	C216 Y217 C254 P539	C216-Y258 HydrophobicContact CB-CD2 4.17Å; C216-Y258 HydrophobicContact CB-CE2 3.72Å; Y217-Y258 HydrophobicContact CD2-CE2 4.31Å; Y217-Y258 AromaticContact CE2-CD1 3.77Å; Y217-Y258 HydrophobicContact CE2-CD1 3.77Å; Y217-Y258 AromaticContact CE2-CD2 3.76Å; Y217-Y258 HydrophobicContact CE2-CD2 3.76Å; Y217-Y258 AromaticContact CE2-CE1 3.89Å; Y217-Y258 HydrophobicContact CE2-CE1 3.89Å; Y217-Y258 AromaticContact CE2-CE2 3.89Å; Y217-Y258 HydrophobicContact CE2-CE2 3.89Å; Y217-Y258 AromaticContact CE2-CG 3.7Å; Y217-Y258 HydrophobicContact CE2-CG 3.7Å; Y217-Y258 AromaticContact CE2-CZ 3.95Å; C254-Y258 WeakPolarHBondContact O-CB 3.39Å; C254-Y258 WeakPolarHBondContact O-CD2 3.5Å; C254-Y258 PolarHBondContact O-N 2.81Å; Y258-P539 HydrophobicContact CD1-CG 4.21Å; Y258-P539 HydrophobicContact CE1-CG 4.38Å
259	L	62.2	Low	52.3	Low	56 Å²	56	94.6 Å²	94.6	29%	0.293	49%	0.488	S	S	.	.	H	α-helix	trans	-114.1	-6.5	175.3	-58.2	175.5	0	0	0	113.7	Q255 K261 P522	Q255-L259 HydrophobicContact CB-CD1 4.12Å; Q255-L259 HydrophobicContact CG-CD1 3.94Å; Q255-L259 WeakPolarHBondContact O-CA 3.34Å; Q255-L259 WeakPolarHBondContact O-CB 3.38Å; Q255-L259 PolarHBondContact O-N 3.1Å; L259-K261 HydrophobicContact CB-CB 4.28Å; L259-K261 HydrophobicContact CB-CD 4.21Å; L259-K261 HydrophobicContact CB-CG 3.97Å; L259-K261 HydrophobicContact CD1-CD 4.3Å; L259-K261 PolarHBondContact O-N 3.44Å; L259-K261 VanDerWaalsContact O-N 3.14Å; L259-P522 HydrophobicContact CD2-CG 3.55Å
260	N	57.7	Low	50.6	Low	143 Å²	143	100 Å²	100	77%	0.765	51%	0.511	S	S	*	.			trans	54.5	23.4	-171	-64.7	-27.3	0	0	0	114.2	C256 C262	C256-N260 WeakPolarHBondContact O-CA 3.24Å; C256-N260 PolarHBondContact O-N 3.15Å; N260-C262 VanDerWaalsContact C-N 3.34Å; N260-C262 PolarHBondContact O-N 3.09Å
261	K	53.7	Low	48.8	Very low	153 Å²	153	111 Å²	111	67%	0.665	55%	0.553	S	S	*	*			trans	-91.7	49.8	-177.1	-72.5	-173.7	178.2	-177.5	0	113.3	L259 M263	L259-K261 HydrophobicContact CB-CB 4.28Å; L259-K261 HydrophobicContact CB-CD 4.21Å; L259-K261 HydrophobicContact CB-CG 3.97Å; L259-K261 HydrophobicContact CD1-CD 4.3Å; L259-K261 PolarHBondContact O-N 3.44Å; L259-K261 VanDerWaalsContact O-N 3.14Å; K261-M263 PolarHBondContact O-N 3.45Å
262	C	49.1	Very low	46.9	Very low	75 Å²	75	114.2 Å²	114.2	51%	0.507	58%	0.578	S	S	.	*			trans	-86.2	110.2	-176.4	-41.3	0	0	0	0	111	C256 N260	C256-C262 WeakPolarHBondContact CA-SG 3.44Å; C256-C262 HydrophobicContact CB-CB 4.05Å; C256-C262 WeakPolarHBondContact CB-SG 3.31Å; C256-C262 WeakPolarHBondContact SG-CB 3.24Å; C256-C262 CovalentContact SG-SG 2.04Å; C256-C262 PolarHBondContact SG-SG 2.96Å; N260-C262 VanDerWaalsContact C-N 3.34Å; N260-C262 PolarHBondContact O-N 3.09Å
263	M	34.2	Very low	45.3	Very low	164 Å²	164	119.4 Å²	119.4	81%	0.808	60%	0.602	S	S	*	*			trans	-129.9	139.2	170.7	-78.4	-164.8	-79.7	0	0	111.8	K261 I265	K261-M263 PolarHBondContact O-N 3.45Å; M263-I265 VanDerWaalsContact C-N 3.32Å; M263-I265 PolarHBondContact O-N 3.04Å; M263-I265 VanDerWaalsContact O-N 3.09Å
264	N	34.6	Very low	43.2	Very low	153 Å²	153	124 Å²	124	82%	0.818	63%	0.627	S	S	*	*	S	Bend	trans	58.7	10.4	166.5	-66	-4	0	0	0	120.4	M266	N264-M266 PolarHBondContact O-N 3.31Å
265	I	33	Very low	41	Very low	110 Å²	110	129.7 Å²	129.7	56%	0.564	66%	0.663	S	S	*	*	S	Bend	trans	-80.1	-0.4	168.7	-58.3	176.9	0	0	0	112.2	E252 M263	E252-I265 HydrophobicContact CB-CD1 3.83Å; E252-I265 HydrophobicContact CG-CD1 4.23Å; E252-I265 WeakPolarHBondContact OE2-CD1 3.26Å; M263-I265 VanDerWaalsContact C-N 3.32Å; M263-I265 PolarHBondContact O-N 3.04Å; M263-I265 VanDerWaalsContact O-N 3.09Å
266	M	27	Very low	38.9	Very low	175 Å²	175	131.9 Å²	131.9	86%	0.862	68%	0.684	S	S	*	*	S	Bend	trans	-129.1	87.1	175.5	-66.9	-176.3	178.8	0	0	111.4	N264	N264-M266 PolarHBondContact O-N 3.31Å
267	N	25.8	Very low	37.2	Very low	159 Å²	159	135 Å²	135	85%	0.85	71%	0.707	S	S	*	*			trans	-169.7	79.6	159.9	-102.6	-28	0	0	0	112.4
268	S	26.3	Very low	35.2	Very low	119 Å²	119	138.6 Å²	138.6	83%	0.832	73%	0.727	S	S	*	*			trans	-159.4	57.9	164.7	66	0	0	0	0	112
269	N	25.8	Very low	33.3	Very low	156 Å²	156	139.6 Å²	139.6	83%	0.834	74%	0.738	S	S	*	*			trans	-87	167.4	161.2	-81.3	-19.9	0	0	0	109.7
270	E	28.2	Very low	31.8	Very low	185 Å²	185	141.7 Å²	141.7	86%	0.864	75%	0.752	S	S	*	*			trans	71.2	73.9	174.3	-55.3	-173.1	-169.7	0	0	117.3
271	R	28.2	Very low	30.2	Very low	254 Å²	254	137 Å²	137	96%	0.958	73%	0.731	S	S	*	*				-165.3	155.4	96.7	-100.7	175.2	-173	-154.9	-0.8	112.8
272	S	25.7	Very low	28.9	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	72%	0.722	S	S	*	*			trans	-101.2	142.2	-173.3	48.3	0	0	0	0	112.2
273	E	29.9	Very low	27.9	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	74%	0.739	S	S	*	*				177.3	156.5	111.1	-94.8	164.5	-153.8	0	0	111.5
274	E	24.6	Very low	27.4	Very low	187 Å²	187	137.8 Å²	137.8	87%	0.874	73%	0.734	S	S	*	*			trans	-89.9	158.8	-174.3	-56.5	-174.3	134.3	0	0	112
275	P	25.4	Very low	27	Very low	119 Å²	119	138.2 Å²	138.2	77%	0.773	73%	0.732	S	S	*	*				-142.3	170.5	102.6	39.5	-28	0	0	0	115.2
276	S	24.9	Very low	26.7	Very low	96 Å²	96	137.9 Å²	137.9	67%	0.671	74%	0.739	S	S	*	*			trans	-75.7	137.5	-179	43.4	0	0	0	0	114.5
277	S	30.4	Very low	26.8	Very low	115 Å²	115	139.2 Å²	139.2	80%	0.804	74%	0.74	S	S	*	*			trans	51.6	82.8	153.6	58.3	0	0	0	0	118.7
278	I	26.1	Very low	26.8	Very low	139 Å²	139	139.2 Å²	139.2	71%	0.713	73%	0.734	S	S	*	*			trans	-130.7	143.9	161.6	-79.8	98.5	0	0	0	111.6	V280	I278-V280 HydrophobicContact CG2-CG2 4.44Å
279	N	27.6	Very low	26.9	Very low	90 Å²	90	140.1 Å²	140.1	48%	0.481	73%	0.729	S	S	.	*			trans	-84.3	141.7	175.9	178	0.8	0	0	0	110.7	R1654 K1656	N279-R1654 PolarHBondContact ND2-O 2.77Å; N279-K1656 HydrophobicContact CB-CB 4.42Å; N279-K1656 WeakPolarHBondContact O-CD 3.47Å; N279-K1656 WeakPolarHBondContact O-CE 3.26Å
280	V	29.1	Very low	26.9	Very low	100 Å²	100	141.5 Å²	141.5	61%	0.606	72%	0.723	S	S	*	*			trans	-135.9	88.3	179.2	-170.6	0	0	0	0	112.9	I278	I278-V280 HydrophobicContact CG2-CG2 4.44Å
281	S	24.8	Very low	27	Very low	45 Å²	45	139.9 Å²	139.9	32%	0.315	72%	0.721	S	S	.	*			trans	-70.5	166.5	130	38.3	0	0	0	0	110.2	K1656	S281-K1656 WeakPolarHBondContact O-CD 3.39Å; S281-K1656 PolarHBondContact O-NZ 2.87Å; S281-K1656 WeakPolarHBondContact OG-CA 3.48Å; S281-K1656 VanDerWaalsContact OG-CB 3.28Å; S281-K1656 WeakPolarHBondContact OG-CB 3.44Å; S281-K1656 PolarHBondContact OG-N 2.76Å; S281-K1656 PolarHBondContact OG-O 3.3Å
282	H	25.9	Very low	27.1	Very low	101 Å²	101	134.8 Å²	134.8	47%	0.468	71%	0.708	S	S	.	*			trans	73.3	71.9	-167.9	-91.7	-112.6	0	0	0	115.9	D1658	H282-D1658 IonicContact CD2-OD2 2.62Å; H282-D1658 PolarHBondContact CD2-OD2 3.48Å; H282-D1658 IonicContact CG-OD2 3.29Å; H282-D1658 IonicContact ND1-OD2 2.67Å; H282-D1658 IonicContact NE2-OD2 2.65Å
283	I	28.5	Very low	27.2	Very low	171 Å²	171	137.1 Å²	137.1	88%	0.877	71%	0.712	S	S	*	*				-116.5	84	120.2	-59.3	-176.5	0	0	0	107.3
284	L	24.6	Very low	27	Very low	135 Å²	135	135.2 Å²	135.2	71%	0.707	71%	0.707	S	S	*	*			trans	-120.9	157.5	157.7	-94.1	168.5	0	0	0	106.1
285	Q	25	Very low	27.2	Very low	163 Å²	163	135.2 Å²	135.2	76%	0.762	70%	0.704	S	S	*	*			trans	88.6	137.9	178.8	-53.3	174.4	-28.3	0	0	116.4
286	S	27.8	Very low	27.4	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	71%	0.706	S	S	*	*			trans	63.2	127.6	-169.1	81.1	0	0	0	0	115.9
287	K	27.7	Very low	27.6	Very low	204 Å²	204	138 Å²	138	89%	0.887	71%	0.71	S	S	*	*			cis	60.7	54.9	-19.8	-139.7	-172.9	-170.1	-170.3	0	117.6
288	H	26	Very low	27.3	Very low	158 Å²	158	139.9 Å²	139.9	73%	0.731	71%	0.711	S	S	*	*			trans	-154.7	-28.9	147.6	-124.5	-82.8	0	0	0	115.9	Y290	H288-Y290 PolarHBondContact O-N 3.36Å
289	I	28.2	Very low	27.4	Very low	139 Å²	139	140.3 Å²	140.3	71%	0.713	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	70.5	-171.3	-45.6	178.4	0	0	0	113.1
290	Y	27.2	Very low	27.5	Very low	185 Å²	185	143.8 Å²	143.8	73%	0.725	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	7.9	145.6	-153.6	-102.2	0	0	0	112.9	H288 E292 L293	H288-Y290 PolarHBondContact O-N 3.36Å; Y290-E292 VanDerWaalsContact C-N 3.34Å; Y290-L293 HydrophobicContact CE2-CD1 4.05Å
291	N	29.5	Very low	27.4	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	73%	0.729	S	S	*	*	S	Bend	trans	-91.8	6.4	168.3	-81	0.3	0	0	0	112.6
292	E	30.1	Very low	27.5	Very low	147 Å²	147	150.9 Å²	150.9	69%	0.687	75%	0.75	S	S	*	*	S	Bend	trans	-101.1	-13	176.9	-75.5	-167.4	117	0	0	114.5	Y290 L294	Y290-E292 VanDerWaalsContact C-N 3.34Å; E292-L294 PolarHBondContact O-N 3.37Å; E292-L294 VanDerWaalsContact O-N 3.17Å
293	L	28	Very low	27.7	Very low	145 Å²	145	149.7 Å²	149.7	76%	0.759	77%	0.765	S	S	*	*	S	Bend	trans	-88.4	40.1	170.8	-78.2	169.8	0	0	0	112.1	Y290	Y290-L293 HydrophobicContact CE2-CD1 4.05Å
294	L	26.3	Very low	27.7	Very low	148 Å²	148	152.5 Å²	152.5	78%	0.775	77%	0.765	S	S	*	*	S	Bend	trans	-145.5	42.3	176.5	-134.1	174	0	0	0	112.3	E292	E292-L294 PolarHBondContact O-N 3.37Å; E292-L294 VanDerWaalsContact O-N 3.17Å
295	K	27.3	Very low	27.8	Very low	187 Å²	187	153.1 Å²	153.1	81%	0.813	77%	0.769	S	S	*	*	S	Bend	trans	-169	96.3	161.9	-108.5	163.5	-173.5	179.5	0	112
296	N	29.7	Very low	28.1	Very low	151 Å²	151	153.6 Å²	153.6	81%	0.807	78%	0.775	S	S	*	*			trans	168.4	144.3	137.6	-87.2	-22.2	0	0	0	109.5
297	T	29.6	Very low	28	Very low	122 Å²	122	155.5 Å²	155.5	75%	0.748	77%	0.772	S	S	*	*			trans	50.2	106.1	154.5	51.7	0	0	0	0	116.6
298	D	25.2	Very low	28.1	Very low	155 Å²	155	154.4 Å²	154.4	83%	0.829	77%	0.768	S	S	*	*			cis	45.5	126.6	38	-91.9	-19.5	0	0	0	112.8
299	D	27.3	Very low	28.1	Very low	147 Å²	147	155.3 Å²	155.3	79%	0.786	77%	0.765	S	S	*	*			trans	65	143.2	-167.3	-59.7	-38.9	0	0	0	114.3
300	E	29.8	Very low	28.1	Very low	164 Å²	164	155.1 Å²	155.1	77%	0.766	77%	0.765	S	S	*	*			cis	-145.9	128.3	0.3	-123.9	-171.4	151.4	0	0	111.4
301	L	27.1	Very low	28.2	Very low	119 Å²	119	153.3 Å²	153.3	62%	0.623	77%	0.766	S	S	*	*				27.1	139.4	121.7	-64.5	163	0	0	0	122.2
302	K	26.4	Very low	28.2	Very low	174 Å²	174	153.5 Å²	153.5	76%	0.757	76%	0.762	S	S	*	*			trans	69.6	68.1	142.7	-61.9	158.9	-174.9	150	0	119.3
303	G	29.8	Very low	28.3	Very low	77 Å²	77	153.9 Å²	153.9	79%	0.794	77%	0.767	S	S	*	*			trans	-83.1	-21.4	-177.7	0	0	0	0	0	120.7
304	R	29.5	Very low	28.2	Very low	229 Å²	229	153.2 Å²	153.2	86%	0.864	76%	0.764	S	S	*	*			trans	71.5	119.2	-175	-48.9	178	-165.2	-157.7	2.4	114.3
305	N	26.5	Very low	28.4	Very low	149 Å²	149	151.9 Å²	151.9	80%	0.797	77%	0.768	S	S	*	*				53.2	114.9	90.1	-82.6	-26.4	0	0	0	116.1
306	I	31.7	Very low	28.5	Very low	173 Å²	173	151.6 Å²	151.6	89%	0.887	77%	0.771	S	S	*	*				-157.6	134.1	122.9	-100.1	150.7	0	0	0	109.9
307	Q	25.4	Very low	28.4	Very low	142 Å²	142	151.8 Å²	151.8	66%	0.664	77%	0.772	S	S	*	*			trans	-94.2	154.8	177.7	-58.3	167.8	-24.8	0	0	111.6
308	K	29.8	Very low	28.4	Very low	181 Å²	181	154.2 Å²	154.2	79%	0.787	78%	0.775	S	S	*	*			trans	-171.5	118.1	131.1	-97.1	144.3	-171.6	179.2	0	109.2
309	R	26.6	Very low	28.6	Very low	177 Å²	177	152.1 Å²	152.1	67%	0.668	77%	0.772	S	S	*	*				78.8	104.3	74.3	-79	-170.3	-165.5	165.8	4.7	112
310	D	26.5	Very low	28.8	Very low	134 Å²	134	152.4 Å²	152.4	72%	0.717	77%	0.772	S	S	*	*				110.4	143.4	92.1	-67.1	-18	0	0	0	105.4
311	I	30.8	Very low	28.7	Very low	147 Å²	147	150.8 Å²	150.8	75%	0.754	77%	0.773	S	S	*	*				-161.6	123.2	61.6	-76.1	160.3	0	0	0	105.7
312	H	29.2	Very low	28.8	Very low	155 Å²	155	152.8 Å²	152.8	72%	0.718	79%	0.785	S	S	*	*				56.3	130.1	97.5	-103.6	-45.2	0	0	0	115.3
313	I	31.3	Very low	28.9	Very low	156 Å²	156	148.3 Å²	148.3	80%	0.8	78%	0.78	S	S	*	*				-160.9	160.1	76	-86.2	171.5	0	0	0	111.1
314	N	27.3	Very low	28.8	Very low	130 Å²	130	150.7 Å²	150.7	70%	0.695	78%	0.779	S	S	*	*			trans	-94.9	155.1	-172.5	-56.2	-31.6	0	0	0	115.5
315	S	29.2	Very low	28.7	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	77%	0.772	S	S	*	*			trans	156.3	153.5	133.6	53.4	0	0	0	0	110.1
316	M	29.7	Very low	28.7	Very low	180 Å²	180	147.3 Å²	147.3	89%	0.887	77%	0.773	S	S	*	*			cis	-147	140.1	14.9	-158.8	165.6	-177.6	0	0	111.5
317	N	27.7	Very low	28.3	Very low	155 Å²	155	147.5 Å²	147.5	83%	0.829	77%	0.767	S	S	*	*			trans	-89.4	139.7	166.4	-93.5	-17.5	0	0	0	109.8
318	Q	28.9	Very low	28.4	Very low	173 Å²	173	147.5 Å²	147.5	81%	0.808	77%	0.767	S	S	*	*			trans	-165.9	164.7	134.5	-155.4	54.1	23.3	0	0	110.3
319	S	31.1	Very low	28.2	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	76%	0.762	S	S	*	*			trans	85.7	46	176.8	-52	0	0	0	0	117.6
320	I	30.2	Very low	28.3	Very low	153 Å²	153	142.6 Å²	142.6	79%	0.785	76%	0.758	S	S	*	*	S	Bend		-90	153.1	129.6	-50.8	176.3	0	0	0	106.2
321	V	28.5	Very low	28.2	Very low	130 Å²	130	142.5 Å²	142.5	79%	0.788	76%	0.758	S	S	*	*			trans	73.2	75.4	177.7	-162.4	0	0	0	0	114.5
322	D	28.5	Very low	28	Very low	161 Å²	161	141.4 Å²	141.4	86%	0.861	75%	0.753	S	S	*	*			trans	-144.9	122	137.4	-98.4	-37.8	0	0	0	107.9
323	A	29.1	Very low	27.8	Very low	80 Å²	80	140.1 Å²	140.1	66%	0.661	75%	0.751	S	S	*	*			trans	37.3	137.3	164.9	0	0	0	0	0	122.1
324	V	28.5	Very low	27.5	Very low	127 Å²	127	137.4 Å²	137.4	77%	0.77	74%	0.742	S	S	*	*			cis	52.4	108.2	-1	-170.9	0	0	0	0	115.7
325	N	25.8	Very low	27.5	Very low	133 Å²	133	136.4 Å²	136.4	71%	0.711	74%	0.741	S	S	*	*			trans	78	142.1	-166.9	-42.1	-32.1	0	0	0	111.8
326	E	27.5	Very low	27.3	Very low	175 Å²	175	136.9 Å²	136.9	82%	0.818	73%	0.734	S	S	*	*			cis	-122.4	161.1	-17.8	-80.4	118.2	152.6	0	0	107.9
327	F	23.9	Very low	27.1	Very low	176 Å²	176	134.8 Å²	134.8	77%	0.772	73%	0.725	S	S	*	*			cis	77.1	121	37.9	-115.8	-57.2	0	0	0	116.2
328	H	27.3	Very low	27	Very low	142 Å²	142	131.9 Å²	131.9	66%	0.657	72%	0.717	S	S	*	*			trans	69.1	129.6	160.8	-81.3	-53	0	0	0	121.7
329	Q	25.9	Very low	26.8	Very low	144 Å²	144	128.8 Å²	128.8	67%	0.673	72%	0.715	S	S	*	*			trans	70.9	151.3	133.6	-65.9	178.3	-91.4	0	0	118
330	D	27	Very low	26.5	Very low	112 Å²	112	130 Å²	130	60%	0.599	71%	0.713	S	S	*	*			cis	-157.2	172.1	-11	-115	-13.9	0	0	0	109
331	D	25.9	Very low	26.2	Very low	131 Å²	131	130 Å²	130	70%	0.701	71%	0.709	S	S	*	*			trans	62.7	163.2	145.7	-78.5	2.6	0	0	0	119
332	L	25.9	Very low	26	Very low	124 Å²	124	130.8 Å²	130.8	65%	0.649	70%	0.704	S	S	*	*			cis	-162.6	169.3	-33.8	-116.8	175.3	0	0	0	105.2
333	N	25.3	Very low	25.8	Very low	128 Å²	128	128.9 Å²	128.9	68%	0.684	70%	0.699	S	S	*	*			trans	65.3	145.8	157.3	-59.4	-27.3	0	0	0	117.1
334	T	25.2	Very low	25.4	Very low	99 Å²	99	130.6 Å²	130.6	61%	0.607	70%	0.701	S	S	*	*			cis	-169.1	177.7	-20.4	32.4	0	0	0	0	105.1
335	T	26.4	Very low	25.6	Very low	110 Å²	110	132.8 Å²	132.8	68%	0.675	70%	0.703	S	S	*	*			trans	66.2	138.1	142.4	52.8	0	0	0	0	117.9
336	N	25.9	Very low	25.9	Very low	131 Å²	131	131.1 Å²	131.1	70%	0.701	70%	0.699	S	S	*	*			cis	-168.8	164	-1	-119	1.9	0	0	0	109.8
337	L	25.2	Very low	25.8	Very low	135 Å²	135	130.5 Å²	130.5	71%	0.707	70%	0.698	S	S	*	*			trans	58.8	126.3	159.4	-82.8	69.6	0	0	0	116.1
338	S	25.4	Very low	26	Very low	94 Å²	94	126.3 Å²	126.3	66%	0.657	69%	0.691	S	S	*	*			cis	62.7	87.1	35	92.3	0	0	0	0	114.6
339	S	24.1	Very low	25.8	Very low	109 Å²	109	128.3 Å²	128.3	76%	0.762	70%	0.7	S	S	*	*			trans	-166	107.3	141.3	54.8	0	0	0	0	106.4
340	D	24.5	Very low	26	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	71%	0.706	S	S	*	*				78.3	147.8	66.8	-73.4	-52.4	0	0	0	113.1
341	E	23.7	Very low	25.8	Very low	152 Å²	152	130.7 Å²	130.7	71%	0.71	72%	0.717	S	S	*	*			trans	63.6	106.8	154.1	-69.9	-173	147.9	0	0	118.2
342	Q	25.4	Very low	26	Very low	146 Å²	146	131.5 Å²	131.5	68%	0.682	72%	0.721	S	S	*	*				86.2	148.7	79.5	-84.6	-174.3	49.7	0	0	112.5
343	T	23.1	Very low	26	Very low	121 Å²	121	132.6 Å²	132.6	74%	0.742	73%	0.726	S	S	*	*			trans	63.6	149	163.1	59.5	0	0	0	0	116.7
344	T	22.6	Very low	26.1	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	73%	0.727	S	S	*	*			cis	-155	169.8	-6.8	7.3	0	0	0	0	110.9
345	H	31.3	Very low	26.2	Very low	173 Å²	173	137.5 Å²	137.5	80%	0.801	74%	0.739	S	S	*	*			trans	-19.2	162.9	142.4	-72.5	-62.3	0	0	0	118.1
346	P	32.8	Very low	26.6	Very low	99 Å²	99	139 Å²	139	64%	0.643	74%	0.743	S	S	*	*			cis	-142.7	180	18.2	43.3	-24.9	0	0	0	117.6
347	M	24.7	Very low	26.9	Very low	162 Å²	162	138.4 Å²	138.4	80%	0.798	75%	0.747	S	S	*	*			trans	47.6	130.1	135.4	-73.5	165.1	70.9	0	0	123.6
348	S	28.6	Very low	27.6	Very low	87 Å²	87	138.7 Å²	138.7	61%	0.608	75%	0.749	S	S	*	*			trans	8.1	139.7	133.6	64.8	0	0	0	0	120.3
349	Q	23	Very low	28	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.864	75%	0.745	S	S	*	*				-153.9	139.1	107.2	-111.3	156.4	6.3	0	0	113.4
350	T	29.8	Very low	27.9	Very low	128 Å²	128	140.3 Å²	140.3	79%	0.785	75%	0.745	S	S	*	*			trans	-65.3	141	157.1	44.9	0	0	0	0	109.8
351	E	23.8	Very low	28.1	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	75%	0.747	S	S	*	*			trans	-155	136.3	142.2	-125.7	163.3	-143.3	0	0	113
352	N	30	Very low	28.2	Very low	148 Å²	148	137.2 Å²	137.2	79%	0.791	74%	0.741	S	S	*	*			trans	-78.3	134.7	172	-56.5	-66.2	0	0	0	109.2
353	I	25.7	Very low	28.2	Very low	146 Å²	146	136.6 Å²	136.6	75%	0.749	74%	0.742	S	S	*	*			trans	-130.1	117.7	145.6	-76.8	95.3	0	0	0	108.7
354	N	27.4	Very low	28.4	Very low	132 Å²	132	138.5 Å²	138.5	71%	0.706	74%	0.742	S	S	*	*			trans	-60.5	146.6	172.9	-50.5	-35.5	0	0	0	111.1
355	K	26.8	Very low	28.6	Very low	198 Å²	198	140.7 Å²	140.7	86%	0.861	75%	0.748	S	S	*	*			trans	-170.8	104.3	130.1	-102.5	148.3	-169.4	172.8	0	113.4
356	D	34.9	Very low	28.3	Very low	141 Å²	141	139.7 Å²	139.7	75%	0.754	74%	0.744	S	S	*	*				-27.9	154.3	129.7	-71.2	-63	0	0	0	114
357	P	33.1	Very low	27.9	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	75%	0.75	S	S	*	*			cis	-151.9	165.4	42.9	44.3	-24	0	0	0	120.4
358	D	38.2	Very low	28	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	75%	0.748	S	S	*	*			trans	-30.9	176.8	131.9	-119	-15.7	0	0	0	115.2
359	P	34.3	Very low	27.8	Very low	90 Å²	90	139.6 Å²	139.6	58%	0.584	75%	0.75	S	S	*	*			cis	-136.7	-148.7	-11.6	27.1	-0.6	0	0	0	111.1
360	L	23	Very low	27.9	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	75%	0.748	S	S	*	*			trans	74	89.6	149.5	-69.1	164.5	0	0	0	119.7
361	N	28.4	Very low	27.7	Very low	142 Å²	142	136 Å²	136	76%	0.759	74%	0.738	S	S	*	*				47.8	141	98.6	-164	14	0	0	0	120.5
362	S	26.4	Very low	27.8	Very low	83 Å²	83	134.3 Å²	134.3	58%	0.58	73%	0.734	S	S	*	*			trans	98.3	148	149.3	79.1	0	0	0	0	120.7
363	N	25.3	Very low	27.5	Very low	133 Å²	133	132.8 Å²	132.8	71%	0.711	73%	0.726	S	S	*	*			trans	87.7	89	169.8	-46.8	-56.2	0	0	0	115.6
364	Q	26.1	Very low	27.5	Very low	161 Å²	161	131.3 Å²	131.3	75%	0.752	72%	0.72	S	S	*	*				72.4	118	69.7	-68.7	-169.8	-3.1	0	0	115.2
365	I	26.2	Very low	27.4	Very low	162 Å²	162	132 Å²	132	83%	0.831	72%	0.719	S	S	*	*			trans	178.6	97.2	137.6	-88.2	147.7	0	0	0	104.2
366	Q	24.8	Very low	27.3	Very low	151 Å²	151	129 Å²	129	71%	0.706	71%	0.712	S	S	*	*				64.8	87.6	76.5	-70.2	-162.9	-13.5	0	0	116.1
367	S	26.3	Very low	26.7	Very low	112 Å²	112	128 Å²	128	78%	0.783	71%	0.712	S	S	*	*				-154.8	120	125	-31.7	0	0	0	0	107.1
368	N	24.9	Very low	26.3	Very low	142 Å²	142	129.1 Å²	129.1	76%	0.759	71%	0.71	S	S	*	*				63.2	125.8	67.1	-68.4	-12.8	0	0	0	112
369	S	25	Very low	25.5	Very low	92 Å²	92	129.6 Å²	129.6	64%	0.643	71%	0.708	S	S	*	*			cis	-172.3	167.5	12.6	48	0	0	0	0	114
370	L	25.4	Very low	25	Very low	158 Å²	158	133.4 Å²	133.4	83%	0.827	71%	0.712	S	S	*	*			trans	75.5	139	161.3	-59.3	144.5	0	0	0	116.4
371	S	24.9	Very low	25	Very low	81 Å²	81	133.8 Å²	133.8	57%	0.566	71%	0.71	S	S	*	*			cis	-171.3	142	-15.5	49.3	0	0	0	0	111.3
372	N	25.8	Very low	24.8	Very low	141 Å²	141	132.3 Å²	132.3	75%	0.754	70%	0.702	S	S	*	*			trans	66.5	150.4	143.6	-65.9	19	0	0	0	118.5
373	N	24.7	Very low	24.6	Very low	117 Å²	117	135.6 Å²	135.6	63%	0.626	71%	0.709	S	S	*	*			cis	-178.6	147.9	-27.3	-111.5	17.1	0	0	0	104.9
374	N	25.4	Very low	24.5	Very low	115 Å²	115	134.9 Å²	134.9	62%	0.615	71%	0.71	S	S	*	*			trans	65.2	168.2	145.8	-63.8	26.7	0	0	0	115.8
375	E	24.8	Very low	24.4	Very low	146 Å²	146	134 Å²	134	68%	0.682	71%	0.706	S	S	*	*			cis	-155.1	178.3	-21.5	-113.4	155.2	174.8	0	0	107.3
376	D	24.9	Very low	24.3	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	69%	0.694	S	S	*	*			trans	59.6	107.5	152.9	-58.7	-13.9	0	0	0	121.2
377	T	23.4	Very low	24.2	Very low	121 Å²	121	130.6 Å²	130.6	74%	0.742	69%	0.694	S	S	*	*				14.9	165	113.2	53.6	0	0	0	0	122.2
378	L	23.3	Very low	24	Very low	143 Å²	143	131.5 Å²	131.5	75%	0.749	69%	0.689	S	S	*	*			trans	87.9	96.5	162.3	-99.5	66.9	0	0	0	119.6
379	E	22.6	Very low	23.9	Very low	151 Å²	151	133.7 Å²	133.7	71%	0.706	69%	0.692	S	S	*	*				70.9	165.8	108.3	-146.7	-173.7	-166.8	0	0	120.6
380	Y	22.7	Very low	24.1	Very low	170 Å²	170	137.4 Å²	137.4	67%	0.667	70%	0.701	S	S	*	*			trans	75.3	91.8	170.3	-84.6	-86	0	0	0	119.9
381	Q	24.2	Very low	24.4	Very low	154 Å²	154	135.2 Å²	135.2	72%	0.72	70%	0.696	S	S	*	*				8.1	130.3	119.2	-53.8	176.8	-8.4	0	0	117
382	N	23.6	Very low	24.3	Very low	111 Å²	111	139.7 Å²	139.7	59%	0.594	71%	0.706	S	S	*	*				163.8	133	102.8	-91.4	-66.7	0	0	0	114.1
383	M	22.1	Very low	24.2	Very low	151 Å²	151	140.7 Å²	140.7	74%	0.744	71%	0.709	S	S	*	*			trans	60.1	140.1	133.7	-62.9	172.6	59.9	0	0	122
384	V	23.7	Very low	24.4	Very low	118 Å²	118	138.1 Å²	138.1	72%	0.715	71%	0.71	S	S	*	*			trans	71	142.7	137	156.6	0	0	0	0	117.2
385	Q	23	Very low	24.5	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.673	72%	0.718	S	S	*	*			cis	178.9	170.8	-18.6	-155.5	-175.9	1.9	0	0	105.2
386	N	24	Very low	24.7	Very low	109 Å²	109	140 Å²	140	58%	0.583	73%	0.725	S	S	*	*			trans	67.6	116.2	156	-52.6	-34.9	0	0	0	119.8
387	D	23.3	Very low	24.7	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	73%	0.728	S	S	*	*				85.7	124.5	113.9	-72.1	-16.4	0	0	0	125.2
388	I	22.9	Very low	24.9	Very low	131 Å²	131	140.3 Å²	140.3	67%	0.672	72%	0.721	S	S	*	*				83.7	113	121.4	-68.1	173.5	0	0	0	121.1
389	F	22.4	Very low	25.1	Very low	188 Å²	188	140.5 Å²	140.5	83%	0.825	72%	0.718	S	S	*	*			trans	83.2	113.3	143.2	-82.8	-142.9	0	0	0	123.3
390	M	29.8	Very low	25.3	Very low	171 Å²	171	139.6 Å²	139.6	84%	0.842	72%	0.715	S	S	*	*				-1.1	140.8	125.4	-80.6	-100.8	175.9	0	0	118.8
391	P	30.1	Very low	25.4	Very low	112 Å²	112	140.5 Å²	140.5	73%	0.727	72%	0.719	S	S	*	*				-154.8	134.6	103.3	36.4	-17.1	0	0	0	119.8
392	K	23.1	Very low	25.6	Very low	175 Å²	175	138.4 Å²	138.4	76%	0.761	71%	0.711	S	S	*	*				51.3	128.4	125.6	-68.4	176	172	175.1	0	124.9
393	I	25	Very low	25.9	Very low	162 Å²	162	139.5 Å²	139.5	83%	0.831	72%	0.717	S	S	*	*				70.6	127.8	124.7	-59.6	169.2	0	0	0	120.4
394	G	28.4	Very low	26.4	Very low	62 Å²	62	138.1 Å²	138.1	64%	0.639	71%	0.713	S	S	*	*			trans	-175.3	110	151.1	0	0	0	0	0	116.3
395	S	27.6	Very low	26.7	Very low	111 Å²	111	138 Å²	138	78%	0.776	71%	0.708	S	S	*	*			trans	40.8	148.9	145.2	51.2	0	0	0	0	122.7
396	K	28.3	Very low	27.1	Very low	191 Å²	191	137.9 Å²	137.9	83%	0.83	71%	0.712	S	S	*	*			cis	-161.6	145	-5.4	-100.7	166.7	178.6	-177.5	0	105.5
397	L	25.8	Very low	27.3	Very low	152 Å²	152	139.5 Å²	139.5	80%	0.796	72%	0.72	S	S	*	*				78.4	139.3	59.6	-121.7	175.8	0	0	0	114.9
398	N	27	Very low	27.6	Very low	110 Å²	110	137.1 Å²	137.1	59%	0.588	72%	0.719	S	S	*	*			trans	91.4	136.5	179.1	-60.4	40.1	0	0	0	115.4
399	E	28.2	Very low	27.9	Very low	147 Å²	147	135.6 Å²	135.6	69%	0.687	72%	0.719	S	S	*	*			cis	-160.7	152.9	-10.3	-119.7	148.4	-174.2	0	0	112.2
400	M	25.3	Very low	28.1	Very low	132 Å²	132	133.7 Å²	133.7	65%	0.65	72%	0.718	S	S	*	*			trans	6.9	150.7	137	-69.2	148.3	55.6	0	0	119.4
401	Y	26.1	Very low	28	Very low	189 Å²	189	131.9 Å²	131.9	74%	0.741	71%	0.71	S	S	*	*			cis	-175.4	171.8	27.4	-111.1	174.6	0	0	0	108.6
402	I	28.5	Very low	28.1	Very low	109 Å²	109	133 Å²	133	56%	0.559	71%	0.709	S	S	*	*			cis	-176.7	162.1	-16.9	-157.3	-175.3	0	0	0	110.2
403	D	30.1	Very low	28.3	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	71%	0.708	S	S	*	*			trans	64.6	158.6	159.5	-68	-12.9	0	0	0	121.8
404	D	31.1	Very low	28.4	Very low	122 Å²	122	130.3 Å²	130.3	65%	0.652	70%	0.704	S	S	*	*			cis	-173.1	161.2	-38.2	-153.4	-1.5	0	0	0	111.7
405	N	31.6	Very low	28.4	Very low	117 Å²	117	134.5 Å²	134.5	63%	0.626	71%	0.707	S	S	*	*			trans	64	155.2	151.5	-72.4	-50.4	0	0	0	125.9
406	N	30.5	Very low	28.4	Very low	140 Å²	140	134.3 Å²	134.3	75%	0.749	70%	0.702	S	S	*	*			trans	78.6	147.5	144	-75.6	-23.1	0	0	0	121.5
407	L	28	Very low	28.4	Very low	144 Å²	144	130.6 Å²	130.6	75%	0.754	70%	0.695	S	S	*	*			cis	-166.2	121	-13	175.3	67.7	0	0	0	112.9
408	A	29.9	Very low	28.4	Very low	81 Å²	81	129.5 Å²	129.5	67%	0.669	70%	0.695	S	S	*	*			trans	37.7	179.9	141.3	0	0	0	0	0	124.9
409	S	28.4	Very low	28.4	Very low	98 Å²	98	129 Å²	129	69%	0.685	71%	0.706	S	S	*	*			trans	74.9	152.5	163	70.2	0	0	0	0	118.7
410	D	28.2	Very low	28.3	Very low	149 Å²	149	125.9 Å²	125.9	80%	0.797	71%	0.706	S	S	*	*			cis	-177.4	175.5	-21.9	-89.6	-27.4	0	0	0	105.8
411	I	27.7	Very low	28.2	Very low	133 Å²	133	128.6 Å²	128.6	68%	0.682	72%	0.719	S	S	*	*			cis	-164.3	173.6	4.2	-130.6	166.5	0	0	0	109.6
412	I	30.4	Very low	28.1	Very low	135 Å²	135	123.7 Å²	123.7	69%	0.692	72%	0.718	S	S	*	*			trans	75.5	127.2	162.1	-87.9	157.4	0	0	0	116.7
413	D	27.7	Very low	28	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	73%	0.729	S	S	*	*			cis	85.5	143.7	47	-62.6	-19.5	0	0	0	112.5
414	D	27.4	Very low	27.8	Very low	139 Å²	139	123 Å²	123	74%	0.743	73%	0.725	S	S	*	*			cis	-165.4	-174.6	-19.7	-166.1	0.7	0	0	0	107.7
415	E	28.2	Very low	27.5	Very low	151 Å²	151	125.6 Å²	125.6	71%	0.706	73%	0.731	S	S	*	*			trans	76.9	138.1	140.3	-98.4	-166.6	169.5	0	0	123.9
416	T	28.2	Very low	27.1	Very low	107 Å²	107	125.6 Å²	125.6	66%	0.656	73%	0.727	S	S	*	*			trans	94.4	134.1	137.1	57.5	0	0	0	0	125.2
417	T	28.3	Very low	26.8	Very low	113 Å²	113	124.3 Å²	124.3	69%	0.693	72%	0.72	S	S	*	*			trans	59.3	104.1	145.2	52.8	0	0	0	0	119.6
418	T	25.6	Very low	26.7	Very low	128 Å²	128	126.6 Å²	126.6	79%	0.785	72%	0.72	S	S	*	*				77.7	131.7	62.8	66	0	0	0	0	116.7
419	A	27.7	Very low	26.4	Very low	100 Å²	100	127.6 Å²	127.6	83%	0.826	72%	0.718	S	S	*	*			trans	69.4	161	155.9	0	0	0	0	0	118.4
420	A	24.8	Very low	26.2	Very low	82 Å²	82	126.8 Å²	126.8	68%	0.678	71%	0.713	S	S	*	*			cis	-173.5	131.8	-40.2	0	0	0	0	0	109.9
421	M	23	Very low	26	Very low	188 Å²	188	122.6 Å²	122.6	93%	0.926	70%	0.695	S	S	*	*			trans	65	172.8	154.1	-62.6	179.4	172	0	0	118.7
422	A	25.8	Very low	25.9	Very low	87 Å²	87	122.8 Å²	122.8	72%	0.719	69%	0.693	S	S	*	*			trans	71.4	101.3	171.9	0	0	0	0	0	118.4
423	T	24.5	Very low	25.6	Very low	129 Å²	129	120.2 Å²	120.2	79%	0.791	68%	0.684	S	S	*	*				18.9	143.8	114.7	56	0	0	0	0	118.3
424	P	26.9	Very low	25.5	Very low	100 Å²	100	120.1 Å²	120.1	65%	0.649	68%	0.682	S	S	*	*			cis	-152.8	-175.4	45.2	39.9	-18	0	0	0	117.3
425	F	24.5	Very low	25.3	Very low	175 Å²	175	118.5 Å²	118.5	77%	0.768	67%	0.674	S	S	*	*			trans	64.4	171.6	137.7	-84.4	-154.4	0	0	0	119.1
426	E	24.3	Very low	25.2	Very low	118 Å²	118	118.8 Å²	118.8	55%	0.551	68%	0.675	S	S	*	*			cis	-165.3	150.2	-36.7	-117.5	-174.6	-166.1	0	0	109.1
427	N	24.3	Very low	25	Very low	112 Å²	112	117.6 Å²	117.6	60%	0.599	67%	0.671	S	S	*	*			trans	61.6	173.2	152.4	-51.5	-29	0	0	0	119.9
428	Y	24.7	Very low	24.9	Very low	192 Å²	192	122.1 Å²	122.1	75%	0.753	68%	0.676	S	S	*	*			trans	56.7	93.3	167.4	-58.1	-70.3	0	0	0	116.6
429	T	23.4	Very low	24.8	Very low	103 Å²	103	120.3 Å²	120.3	63%	0.632	67%	0.669	S	S	*	*				71.6	143.8	71.6	67.1	0	0	0	0	115
430	S	23.9	Very low	24.8	Very low	81 Å²	81	121.5 Å²	121.5	57%	0.566	67%	0.667	S	S	*	*			trans	64.1	129.4	144.3	67.1	0	0	0	0	118.3
431	S	25.4	Very low	24.9	Very low	60 Å²	60	122.8 Å²	122.8	42%	0.42	67%	0.666	S	S	.	*				56.8	147.4	126.5	-75.8	0	0	0	0	119.9
432	E	24.9	Very low	25.1	Very low	137 Å²	137	119.2 Å²	119.2	64%	0.64	66%	0.655	S	S	*	*			cis	-168	135.1	5.6	-115.7	163.8	108	0	0	103.9
433	V	25.2	Very low	25.2	Very low	82 Å²	82	122.3 Å²	122.3	50%	0.497	66%	0.656	S	S	.	*				72	144.6	94.7	99.4	0	0	0	0	114.7
434	L	24.5	Very low	25.4	Very low	139 Å²	139	122.2 Å²	122.2	73%	0.728	65%	0.651	S	S	*	*			trans	68.1	155.4	164.6	-59.5	170.9	0	0	0	115.9
435	N	23.7	Very low	25.6	Very low	105 Å²	105	123.4 Å²	123.4	56%	0.561	65%	0.652	S	S	*	*			cis	-152.9	172.3	-5.5	-133.8	-11.5	0	0	0	114.5
436	E	25.2	Very low	26	Very low	157 Å²	157	120.1 Å²	120.1	73%	0.734	65%	0.646	S	S	*	*			trans	63.2	147.9	144.7	-74.4	156	-134.4	0	0	118.1
437	S	24.4	Very low	26.2	Very low	81 Å²	81	120.4 Å²	120.4	57%	0.566	65%	0.651	S	S	*	*			cis	-167.6	155.8	-10.7	42.7	0	0	0	0	106
438	Y	25.7	Very low	26.4	Very low	208 Å²	208	121.5 Å²	121.5	82%	0.816	66%	0.656	S	S	*	*				-172.4	151.6	60.5	-105.8	-75.7	0	0	0	111.1
439	S	24.8	Very low	26.5	Very low	90 Å²	90	116.9 Å²	116.9	63%	0.629	65%	0.652	S	S	*	*			trans	13.1	142.4	145.6	62.7	0	0	0	0	121.3
440	T	26.2	Very low	26.6	Very low	126 Å²	126	118 Å²	118	77%	0.773	66%	0.658	S	S	*	*			cis	-173.4	-178.9	2	23.4	0	0	0	0	106.7
441	T	28	Very low	26.8	Very low	108 Å²	108	120.2 Å²	120.2	66%	0.663	67%	0.669	S	S	*	*			cis	-162.7	159.3	13.4	-9.4	0	0	0	0	108.6
442	T	27	Very low	26.9	Very low	113 Å²	113	122.1 Å²	122.1	69%	0.693	68%	0.678	S	S	*	*			trans	55.5	140.1	155	56.2	0	0	0	0	119.2
443	M	28	Very low	27	Very low	152 Å²	152	120.5 Å²	120.5	75%	0.749	67%	0.674	S	S	*	*			cis	-170.7	161	-0.1	-95.7	160.7	145	0	0	105.1
444	D	29.3	Very low	27.1	Very low	127 Å²	127	120.2 Å²	120.2	68%	0.679	67%	0.668	S	S	*	*			cis	-170.9	153.5	-10.3	-97.8	3.4	0	0	0	106.4
445	D	29.6	Very low	27.2	Very low	126 Å²	126	120.6 Å²	120.6	67%	0.674	67%	0.666	S	S	*	*			cis	-162.2	160.6	-13.5	-164.2	7.9	0	0	0	110.9
446	T	32.8	Very low	27.3	Very low	105 Å²	105	120.7 Å²	120.7	64%	0.644	67%	0.671	S	S	*	*			trans	70.6	137.7	164.6	71.7	0	0	0	0	120.8
447	N	29.1	Very low	27.4	Very low	124 Å²	124	120.5 Å²	120.5	66%	0.663	67%	0.673	S	S	*	*			cis	-160.2	138.1	-12	-111.4	-20	0	0	0	114.4
448	I	28.5	Very low	27.4	Very low	136 Å²	136	122.3 Å²	122.3	70%	0.697	68%	0.681	S	S	*	*			trans	58.3	106.6	141.5	-58.6	163.1	0	0	0	117.5
449	S	26.3	Very low	27.7	Very low	95 Å²	95	117.4 Å²	117.4	66%	0.664	68%	0.675	S	S	*	*			cis	89.6	109.5	37.9	87.1	0	0	0	0	114.9
450	V	27.3	Very low	27.7	Very low	127 Å²	127	117.7 Å²	117.7	77%	0.77	68%	0.677	S	S	*	*				82.7	126	88.1	167.7	0	0	0	0	115.4
451	T	26.7	Very low	27.9	Very low	127 Å²	127	117.9 Å²	117.9	78%	0.779	67%	0.673	S	S	*	*			trans	155	151.6	148.3	34.2	0	0	0	0	110.3
452	T	26.9	Very low	27.7	Very low	100 Å²	100	117 Å²	117	61%	0.613	66%	0.66	S	S	*	*			cis	-170.6	-177.6	-36.1	19.1	0	0	0	0	107
453	N	28	Very low	27.6	Very low	103 Å²	103	115.5 Å²	115.5	55%	0.551	65%	0.647	S	S	*	*			trans	78.7	147.2	161	-62.3	-0.6	0	0	0	118.4
454	I	27.6	Very low	27.5	Very low	76 Å²	76	109.4 Å²	109.4	39%	0.39	62%	0.619	S	S	.	*			cis	-166	137.5	-30.6	-121.5	164.6	0	0	0	108.4
455	E	26.2	Very low	27.3	Very low	147 Å²	147	105.8 Å²	105.8	69%	0.687	60%	0.602	S	S	*	*			trans	51.8	-171.4	152.8	-61.2	178.7	-170.9	0	0	120.2
456	T	25.4	Very low	27	Very low	106 Å²	106	105.3 Å²	105.3	65%	0.65	60%	0.599	S	S	*	*				-138.2	160.8	-69.3	42.4	0	0	0	0	111
457	I	27.3	Very low	26.7	Very low	153 Å²	153	104.3 Å²	104.3	79%	0.785	59%	0.592	S	S	*	*			trans	63.2	125.3	149.9	-67.4	159.1	0	0	0	120.1
458	T	25.2	Very low	26.5	Very low	120 Å²	120	102.1 Å²	102.1	74%	0.736	58%	0.584	S	S	*	*			trans	-50.4	178.9	168.1	66.4	0	0	0	0	116.1
459	P	32.2	Very low	26.4	Very low	104 Å²	104	104.8 Å²	104.8	68%	0.675	59%	0.586	S	S	*	*			cis	-146.2	179.4	12.4	43.8	-24.6	0	0	0	118.6
460	S	25.2	Very low	26.3	Very low	96 Å²	96	103.9 Å²	103.9	67%	0.671	58%	0.58	S	S	*	*			trans	79.1	153.3	143.8	77.6	0	0	0	0	121.1
461	N	28.8	Very low	26.2	Very low	131 Å²	131	103 Å²	103	70%	0.701	58%	0.575	S	S	*	*			trans	60	109.1	174.7	-60.6	-28.5	0	0	0	116.4
462	K	24.5	Very low	26	Very low	89 Å²	89	99.4 Å²	99.4	39%	0.387	55%	0.55	S	S	.	*				65	120.2	67.9	-73.4	-142.6	-179.9	82	0	113.1	L1455 L1462	K462-L1455 HydrophobicContact CB-CD2 3.67Å; K462-L1455 HydrophobicContact CD-CD2 3.69Å; K462-L1455 HydrophobicContact CG-CD2 3.63Å; K462-L1462 HydrophobicContact CD-CD2 4.1Å; K462-L1462 VanDerWaalsContact NZ-CD2 3.29Å
463	I	25.4	Very low	25.8	Very low	81 Å²	81	99.3 Å²	99.3	42%	0.415	55%	0.546	S	S	.	.			trans	142.2	106.4	131.7	-77.8	145.7	0	0	0	115.7	L1455 L1459	I463-L1455 HydrophobicContact CG1-CD2 4.46Å; I463-L1459 HydrophobicContact CB-CD1 4.43Å; I463-L1459 HydrophobicContact CD1-CD1 3.66Å; I463-L1459 HydrophobicContact CD1-CD2 4.08Å; I463-L1459 HydrophobicContact CD1-CG 3.68Å; I463-L1459 HydrophobicContact CG1-CD1 3.55Å; I463-L1459 HydrophobicContact CG1-CG 3.68Å; I463-L1459 HydrophobicContact CG2-CD1 3.9Å
464	S	24.7	Very low	25.6	Very low	25 Å²	25	102.1 Å²	102.1	18%	0.175	56%	0.56	C	S	.	*				44.6	140.9	109.6	120.5	0	0	0	0	120.1	L1452 F1456	S464-L1452 WeakPolarHBondContact CA-O 3.39Å; S464-L1452 WeakPolarHBondContact CB-O 3.41Å; S464-F1456 WeakPolarHBondContact OG-CD2 3.35Å
465	V	25.1	Very low	25.4	Very low	51 Å²	51	101 Å²	101	31%	0.309	56%	0.558	S	S	.	*			cis	-142.2	161.4	-12.3	-157.5	0	0	0	0	106.9	L1452 F1456	V465-L1452 HydrophobicContact CG1-CB 4.26Å; V465-F1456 HydrophobicContact CG2-CB 3.58Å; V465-F1456 HydrophobicContact CG2-CD2 3.68Å; V465-F1456 HydrophobicContact CG2-CG 3.81Å
466	L	24.9	Very low	25.3	Very low	116 Å²	116	99.8 Å²	99.8	61%	0.607	57%	0.566	S	S	*	*				-178	152	110.9	-118.7	86	0	0	0	112.2	I1449 L1452	L466-I1449 WeakPolarHBondContact O-CG1 3.4Å; L466-L1452 VanDerWaalsContact N-CD1 3.32Å
467	T	24.9	Very low	25.2	Very low	83 Å²	83	100.6 Å²	100.6	51%	0.509	56%	0.558	S	S	.	*			trans	-36.1	174.7	157.6	60	0	0	0	0	116.4
468	T	25.3	Very low	25.1	Very low	79 Å²	79	98.3 Å²	98.3	49%	0.485	54%	0.544	S	S	.	.			cis	-165.2	157.5	27.8	-24.7	0	0	0	0	112.1
469	Y	25.6	Very low	25.1	Very low	192 Å²	192	97.6 Å²	97.6	75%	0.753	54%	0.535	S	S	*	.			trans	66.5	144.7	167	-52.9	-61.6	0	0	0	117.1
470	S	25.9	Very low	24.7	Very low	76 Å²	76	96.4 Å²	96.4	53%	0.531	53%	0.526	S	S	.	.			cis	-151.4	140.1	-12.2	39.2	0	0	0	0	111.6
471	T	23.6	Very low	24.6	Very low	109 Å²	109	97.6 Å²	97.6	67%	0.669	53%	0.53	S	S	*	.			trans	7.7	111.1	153.4	53.9	0	0	0	0	118.6	L1441	T471-L1441 CarbonylContact O-C 3.52Å; T471-L1441 VanDerWaalsContact O-O 3.09Å
472	I	24.3	Very low	24.3	Very low	50 Å²	50	95.3 Å²	95.3	26%	0.256	52%	0.524	S	S	.	.				-173.1	126.1	105.1	-103.3	148.7	0	0	0	114.9	L474	I472-L474 PolarHBondContact O-N 3.06Å
473	D	22.6	Very low	24.3	Very low	99 Å²	99	94.5 Å²	94.5	53%	0.529	53%	0.53	S	S	.	.			trans	32.7	76.8	139.4	-36.3	-19.4	0	0	0	118	N1179	D473-N1179 WeakPolarHBondContact CB-ND2 3.42Å; D473-N1179 PolarHBondContact OD2-ND2 2.69Å
474	L	23.6	Very low	24.2	Very low	161 Å²	161	98.9 Å²	98.9	84%	0.843	55%	0.552	S	S	*	*			trans	-99.2	103.1	147.6	-77.1	170.8	0	0	0	107.4	I472	I472-L474 PolarHBondContact O-N 3.06Å
475	P	23.7	Very low	24.3	Very low	52 Å²	52	100.8 Å²	100.8	34%	0.338	56%	0.563	S	S	.	*			trans	-79.1	132.4	-159.9	32.7	-37.9	0	0	0	111.7	Y477	P475-Y477 HydrophobicContact CB-CD2 3.6Å; P475-Y477 HydrophobicContact CB-CE2 3.89Å; P475-Y477 HydrophobicContact CG-CD2 3.74Å; P475-Y477 HydrophobicContact CG-CE2 4.07Å; P475-Y477 PolarHBondContact O-N 3.14Å
476	S	24	Very low	24.2	Very low	123 Å²	123	103.6 Å²	103.6	86%	0.86	58%	0.58	S	S	*	*			trans	-68.4	86.8	179.5	51.7	0	0	0	0	111.5	E478	S476-E478 PolarHBondContact O-N 3.22Å
477	Y	23.6	Very low	24.2	Very low	123 Å²	123	103.1 Å²	103.1	48%	0.482	58%	0.577	S	S	.	*			trans	-82.9	116.5	-176.7	-102.2	-113.6	0	0	0	113.9	P475 N1188 R1189	P475-Y477 HydrophobicContact CB-CD2 3.6Å; P475-Y477 HydrophobicContact CB-CE2 3.89Å; P475-Y477 HydrophobicContact CG-CD2 3.74Å; P475-Y477 HydrophobicContact CG-CE2 4.07Å; P475-Y477 PolarHBondContact O-N 3.14Å; Y477-N1188 PolarHBondContact OH-O 3.34Å; Y477-R1189 HydrophobicContact CE1-CB 3.86Å; Y477-R1189 HydrophobicContact CE1-CG 4.39Å; Y477-R1189 PolarHBondContact OH-NE 3.14Å; Y477-R1189 PolarHBondContact OH-NH2 3.17Å
478	E	24.5	Very low	24.3	Very low	105 Å²	105	103 Å²	103	49%	0.491	58%	0.579	S	S	.	*				38.3	100.1	126.8	-66.7	173	-147.9	0	0	116	S476 T480 R1189	S476-E478 PolarHBondContact O-N 3.22Å; E478-T480 HydrophobicContact CB-CG2 4.2Å; E478-T480 PolarHBondContact O-N 3.22Å; E478-T480 PolarHBondContact O-OG1 3.34Å; E478-R1189 VanDerWaalsContact CD-NH2 3.33Å; E478-R1189 IonicContact OE1-NH2 2.64Å; E478-R1189 PolarHBondContact OE1-NH2 2.79Å
479	N	24.7	Very low	24.4	Very low	104 Å²	104	106.5 Å²	106.5	56%	0.556	60%	0.595	S	S	*	*			trans	-49.6	97.1	163.3	-76.5	-55.4	0	0	0	110.6	S1843	N479-S1843 WeakPolarHBondContact O-CB 3.35Å; N479-S1843 PolarHBondContact O-OG 3.13Å
480	T	23.3	Very low	24.4	Very low	79 Å²	79	103.1 Å²	103.1	49%	0.485	59%	0.586	S	S	.	*			trans	-119.3	70.7	-176.2	35	0	0	0	0	108.9	E478 S482	E478-T480 HydrophobicContact CB-CG2 4.2Å; E478-T480 PolarHBondContact O-N 3.22Å; E478-T480 PolarHBondContact O-OG1 3.34Å; T480-S482 PolarHBondContact O-N 2.78Å; T480-S482 PolarHBondContact O-OG 2.88Å
481	T	23.9	Very low	24.2	Very low	122 Å²	122	109.4 Å²	109.4	75%	0.748	60%	0.598	S	S	*	*			trans	-76.2	52	173	64.3	0	0	0	0	111.8
482	S	23.2	Very low	24.4	Very low	83 Å²	83	112.4 Å²	112.4	58%	0.58	61%	0.608	S	S	*	*			trans	-92.2	135.9	164.2	50	0	0	0	0	109	T480	T480-S482 PolarHBondContact O-N 2.78Å; T480-S482 PolarHBondContact O-OG 2.88Å
483	S	23.9	Very low	24.4	Very low	72 Å²	72	117.7 Å²	117.7	50%	0.503	63%	0.632	S	S	.	*			trans	61.2	89.8	167.6	-50.1	0	0	0	0	115.9	T485	S483-T485 VanDerWaalsContact C-N 3.28Å; S483-T485 PolarHBondContact O-N 2.9Å
484	I	24	Very low	24.7	Very low	173 Å²	173	119.4 Å²	119.4	89%	0.887	64%	0.641	S	S	*	*			trans	-75.8	88.8	156.2	-60.8	178	0	0	0	107
485	T	25.2	Very low	25.1	Very low	65 Å²	65	118 Å²	118	40%	0.399	63%	0.634	S	S	.	*			trans	-83.8	121.4	174.4	-32	0	0	0	0	108.8	S483 I487 S1168	S483-T485 VanDerWaalsContact C-N 3.28Å; S483-T485 PolarHBondContact O-N 2.9Å; T485-I487 PolarHBondContact O-N 3.17Å; T485-S1168 VanDerWaalsContact CG2-CB 3.49Å; T485-S1168 WeakPolarHBondContact CG2-OG 3.46Å
486	V	24.1	Very low	25.3	Very low	109 Å²	109	121.6 Å²	121.6	66%	0.661	65%	0.65	S	S	*	*			trans	-67.3	132.5	176.5	178.6	0	0	0	0	109.2	S1168	V486-S1168 PolarHBondContact O-OG 3.15Å
487	I	24.9	Very low	25.6	Very low	107 Å²	107	124.8 Å²	124.8	55%	0.549	65%	0.651	S	S	.	*			trans	-106	114.6	166.2	-65.7	163.7	0	0	0	106.5	T485 S1168	T485-I487 PolarHBondContact O-N 3.17Å; I487-S1168 WeakPolarHBondContact CG1-OG 3.49Å
488	S	27.1	Very low	25.6	Very low	80 Å²	80	125.5 Å²	125.5	56%	0.559	67%	0.669	S	S	*	*			trans	-89.5	118.2	167.9	54.6	0	0	0	0	108.9
489	N	25.9	Very low	25.7	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	68%	0.681	S	S	*	*			trans	-55.2	145.4	-177.7	-64.6	-24.4	0	0	0	113.3
490	E	25.5	Very low	25.7	Very low	121 Å²	121	131.2 Å²	131.2	57%	0.565	70%	0.697	S	S	*	*			trans	-146.4	130.3	140.1	-129.1	-169.8	-110.2	0	0	110.6
491	R	23.5	Very low	25.8	Very low	208 Å²	208	135.8 Å²	135.8	79%	0.785	72%	0.715	S	S	*	*			trans	66.7	100.5	167.4	-48.8	170.9	-154	-163.8	3.8	116.9
492	I	26.1	Very low	25.8	Very low	172 Å²	172	136.6 Å²	136.6	88%	0.882	72%	0.715	S	S	*	*				-144.6	148.3	95.1	-96.6	156.4	0	0	0	108.6
493	H	26	Very low	25.9	Very low	162 Å²	162	140.9 Å²	140.9	75%	0.75	73%	0.73	S	S	*	*			trans	-85.3	126.7	175	-102.7	-102.8	0	0	0	109.2
494	D	28.7	Very low	26	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	73%	0.733	S	S	*	*				164.9	149.7	105.9	-82.8	-31.6	0	0	0	114.9
495	D	30.6	Very low	26.2	Very low	131 Å²	131	142.6 Å²	142.6	70%	0.701	73%	0.733	S	S	*	*			trans	42.3	106.6	157.9	-75.5	-40.7	0	0	0	124.1
496	N	28.3	Very low	26.4	Very low	127 Å²	127	145.6 Å²	145.6	68%	0.679	75%	0.745	S	S	*	*				51.4	97.8	117.1	-74.5	-56.5	0	0	0	120.2
497	H	30.7	Very low	26.6	Very low	190 Å²	190	147.6 Å²	147.6	88%	0.88	75%	0.752	S	S	*	*				-154.6	104.4	126	-107.6	-67.4	0	0	0	111.8
498	T	24.4	Very low	26.6	Very low	138 Å²	138	149.5 Å²	149.5	85%	0.847	76%	0.763	S	S	*	*			trans	-93.9	121.5	173.6	37.5	0	0	0	0	111.2
499	V	26.2	Very low	26.6	Very low	123 Å²	123	155.7 Å²	155.7	75%	0.745	78%	0.78	S	S	*	*			trans	-125.8	125.4	171.3	-179.8	0	0	0	0	109.4
500	K	23.7	Very low	26.6	Very low	206 Å²	206	153.1 Å²	153.1	90%	0.896	77%	0.774	S	S	*	*			trans	-77.8	131	-178.7	-62.6	173.6	-179.4	174	0	110.8
501	M	25	Very low	26.5	Very low	176 Å²	176	153.1 Å²	153.1	87%	0.867	78%	0.777	S	S	*	*			trans	-130.9	86.5	160.5	-76	-157.1	174.7	0	0	112.8	L503	M501-L503 PolarHBondContact O-N 3.47Å
502	N	25.6	Very low	26.6	Very low	139 Å²	139	149.6 Å²	149.6	74%	0.743	77%	0.771	S	S	*	*			trans	35.4	76.5	143	-148.9	-21.9	0	0	0	118.8	S504	N502-S504 PolarHBondContact O-N 3.06Å; N502-S504 VanDerWaalsContact O-N 3.08Å; N502-S504 WeakPolarHBondContact OD1-CB 3.42Å; N502-S504 PolarHBondContact OD1-OG 3.46Å
503	L	25.5	Very low	26.6	Very low	172 Å²	172	147 Å²	147	90%	0.901	76%	0.759	S	S	*	*			trans	-73.2	86.9	167.4	-77.4	157.6	0	0	0	111.2	M501	M501-L503 PolarHBondContact O-N 3.47Å
504	S	25.9	Very low	26.6	Very low	82 Å²	82	146.4 Å²	146.4	57%	0.573	75%	0.751	S	S	*	*			trans	-146.3	7.3	-178.9	58.3	0	0	0	0	116.8	N502	N502-S504 PolarHBondContact O-N 3.06Å; N502-S504 VanDerWaalsContact O-N 3.08Å; N502-S504 WeakPolarHBondContact OD1-CB 3.42Å; N502-S504 PolarHBondContact OD1-OG 3.46Å
505	K	28.2	Very low	26.4	Very low	200 Å²	200	145 Å²	145	87%	0.87	75%	0.752	S	S	*	*			trans	-143.3	22.4	-173.1	-74.2	-170.8	177.3	175.5	0	116.9
506	I	28.3	Very low	26.2	Very low	128 Å²	128	145.9 Å²	145.9	66%	0.656	75%	0.753	S	S	*	*			trans	-104.5	129	177.3	-59.3	-179.8	0	0	0	109.8
507	D	27.8	Very low	26.3	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	77%	0.765	S	S	*	*			trans	-85.3	135.9	-171.9	-162.8	0.9	0	0	0	112.5	K509	D507-K509 PolarHBondContact O-N 2.8Å; D507-K509 VanDerWaalsContact O-N 3.13Å
508	N	26.8	Very low	26.9	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	81.3	-161.5	-81.2	-41.8	0	0	0	113.1
509	K	26.5	Very low	27.9	Very low	209 Å²	209	141.4 Å²	141.4	91%	0.909	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.5	9	161	-119.8	157.8	-163.6	172.2	0	118.4	D507	D507-K509 PolarHBondContact O-N 2.8Å; D507-K509 VanDerWaalsContact O-N 3.13Å
510	S	24.9	Very low	29.3	Very low	99 Å²	99	140 Å²	140	69%	0.692	72%	0.718	S	S	*	*	S	Bend	trans	-151.9	152.7	170.6	54.1	0	0	0	0	109.4
511	I	24.6	Very low	31.4	Very low	121 Å²	121	130.8 Å²	130.8	62%	0.621	68%	0.679	S	S	*	*			trans	89.3	96.5	-167.3	-52.4	158.1	0	0	0	112.9	N513	I511-N513 HydrophobicContact CG2-CB 4.41Å
512	M	25.4	Very low	33.6	Very low	134 Å²	134	125.4 Å²	125.4	66%	0.66	66%	0.657	S	S	*	*			trans	-121.5	89.1	137.4	-86	-170.5	178.3	0	0	106.5	I247 Y514	I247-M512 HydrophobicContact CD1-CE 3.83Å; I247-M512 HydrophobicContact CD1-SD 4.34Å; M512-Y514 PolarHBondContact O-N 3.16Å
513	N	25.4	Very low	36.3	Very low	118 Å²	118	119.5 Å²	119.5	63%	0.631	63%	0.626	S	S	*	*			trans	-73.2	119.9	171.9	-71.3	-8.1	0	0	0	107.9	I511 S515	I511-N513 HydrophobicContact CG2-CB 4.41Å; N513-S515 PolarHBondContact O-N 3.19Å
514	Y	26.5	Very low	39.1	Very low	149 Å²	149	114.5 Å²	114.5	58%	0.584	60%	0.598	S	S	*	*	S	Bend	trans	-75.9	68.2	175.4	-89.3	-92	0	0	0	111.3	M512 Y518	M512-Y514 PolarHBondContact O-N 3.16Å; Y514-Y518 HydrophobicContact CD1-CE2 4.01Å; Y514-Y518 AromaticContact CE1-CE2 3.74Å; Y514-Y518 HydrophobicContact CE1-CE2 3.74Å
515	S	23.7	Very low	41.8	Very low	105 Å²	105	115.7 Å²	115.7	73%	0.734	60%	0.602	S	S	*	*			trans	-141	50.3	168.5	67.7	0	0	0	0	109.7	N513	N513-S515 PolarHBondContact O-N 3.19Å
516	M	26.9	Very low	44.3	Very low	149 Å²	149	109.1 Å²	109.1	73%	0.734	58%	0.581	S	S	*	*	S	Bend	trans	-123.9	133.7	168.5	-70.5	-175.4	68.5	0	0	108.7	Y518	M516-Y518 PolarHBondContact O-N 3.26Å
517	E	30.8	Very low	46.9	Very low	198 Å²	198	103.1 Å²	103.1	93%	0.925	55%	0.551	S	S	*	*			trans	-71.2	95.2	171.2	-68.1	-179.1	108.3	0	0	109.5
518	Y	43.2	Very low	48.8	Very low	85 Å²	85	98.3 Å²	98.3	33%	0.333	53%	0.528	S	S	.	.			trans	-62.9	130.1	166.7	-70.6	-80.1	0	0	0	109.3	I247 L251 Y514 M516 S520	I247-Y518 HydrophobicContact CG2-CE1 4.25Å; L251-Y518 HydrophobicContact CD1-CD1 4.03Å; Y514-Y518 HydrophobicContact CD1-CE2 4.01Å; Y514-Y518 AromaticContact CE1-CE2 3.74Å; Y514-Y518 HydrophobicContact CE1-CE2 3.74Å; M516-Y518 PolarHBondContact O-N 3.26Å; Y518-S520 PolarHBondContact O-N 3.16Å
519	P	44.7	Very low	50.7	Low	79 Å²	79	96.6 Å²	96.6	51%	0.513	52%	0.518	S	S	.	.			trans	-58.9	109.7	177.3	-24	33.8	0	0	0	110.6	L521	P519-L521 PolarHBondContact O-N 2.93Å
520	S	55.2	Low	52.5	Low	92 Å²	92	87.7 Å²	87.7	64%	0.643	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-70.3	128.3	-173.2	53.1	0	0	0	0	111.4	Y518	Y518-S520 PolarHBondContact O-N 3.16Å
521	L	68	Low	54.2	Low	14 Å²	14	88.4 Å²	88.4	7%	0.073	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-61.5	132.1	165.3	-70	168	0	0	0	108.5	C216 Y217 T221 C254 P519 C523	C216-L521 HydrophobicContact CB-CD1 3.87Å; C216-L521 VanDerWaalsContact O-CD1 3.27Å; C216-L521 WeakPolarHBondContact O-CD1 3.46Å; Y217-L521 HydrophobicContact CD1-CB 4.26Å; Y217-L521 HydrophobicContact CD2-CD1 4.08Å; Y217-L521 HydrophobicContact CE1-CB 3.75Å; Y217-L521 HydrophobicContact CE2-CB 4.49Å; Y217-L521 HydrophobicContact CE2-CD1 4.01Å; Y217-L521 HydrophobicContact CG-CD1 4.33Å; T221-L521 HydrophobicContact CG2-CB 4.24Å; C254-L521 HydrophobicContact CB-CD1 4.27Å; C254-L521 HydrophobicContact CB-CD2 4.39Å; P519-L521 PolarHBondContact O-N 2.93Å; L521-C523 PolarHBondContact O-N 3.25Å
522	P	72.4	Confident	56.2	Low	62 Å²	62	85.6 Å²	85.6	40%	0.403	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-74.6	128.5	-174.2	29.2	-34.8	0	0	0	111	L259	L259-P522 HydrophobicContact CD2-CG 3.55Å
523	C	80.9	Confident	58.2	Low	15 Å²	15	82.8 Å²	82.8	10%	0.101	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-78.8	157.9	161.4	-59.6	0	0	0	0	110.7	L521 C527 R534 Y535 C536	L521-C523 PolarHBondContact O-N 3.25Å; C523-C527 HydrophobicContact CB-CB 4.25Å; C523-R534 HydrophobicContact CB-CB 3.83Å; C523-Y535 VanDerWaalsContact SG-C 3.56Å; C523-C536 WeakPolarHBondContact CA-SG 3.19Å; C523-C536 HydrophobicContact CB-CB 3.58Å; C523-C536 WeakPolarHBondContact CB-SG 2.97Å; C523-C536 WeakPolarHBondContact SG-CB 3.46Å; C523-C536 PolarHBondContact SG-N 3.18Å; C523-C536 VanDerWaalsContact SG-N 3.39Å; C523-C536 CovalentContact SG-SG 2.03Å; C523-C536 PolarHBondContact SG-SG 2.9Å
524	H	85.4	Confident	60.8	Low	68 Å²	68	81.1 Å²	81.1	32%	0.315	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-57	149.5	176.4	-167.7	-102.9	0	0	0	112.7	S526 C527 P539 G540	H524-S526 PolarHBondContact ND1-N 3.45Å; H524-S526 PolarHBondContact ND1-OG 3.01Å; H524-S526 PolarHBondContact O-N 3.26Å; H524-C527 WeakPolarHBondContact O-CB 3.27Å; H524-C527 PolarHBondContact O-N 3.34Å; H524-C527 PolarHBondContact O-SG 3.04Å; H524-P539 WeakPolarHBondContact CB-O 3.49Å; H524-G540 VanDerWaalsContact CB-O 3.27Å; H524-G540 WeakPolarHBondContact CB-O 3.39Å
525	T	81.8	Confident	63.5	Low	106 Å²	106	75.3 Å²	75.3	65%	0.65	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.2	-175.1	53.7	0	0	0	0	114.4	R534	T525-R534 VanDerWaalsContact C-NH1 3.3Å; T525-R534 VanDerWaalsContact O-CZ 3.31Å; T525-R534 PolarHBondContact O-NH1 2.85Å; T525-R534 PolarHBondContact O-NH2 2.84Å
526	S	82.4	Confident	66.4	Low	62 Å²	62	70.3 Å²	70.3	43%	0.434	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.8	169.8	61.1	0	0	0	0	114.4	H524	H524-S526 PolarHBondContact ND1-N 3.45Å; H524-S526 PolarHBondContact ND1-OG 3.01Å; H524-S526 PolarHBondContact O-N 3.26Å
527	C	81.3	Confident	69.2	Low	2 Å²	2	63.3 Å²	63.3	1%	0.014	35%	0.35	C	S	.	.	S	Bend	trans	-68.3	144.4	-175	-54.8	0	0	0	0	110.9	C523 H524 L529 R534 C544	C523-C527 HydrophobicContact CB-CB 4.25Å; H524-C527 WeakPolarHBondContact O-CB 3.27Å; H524-C527 PolarHBondContact O-N 3.34Å; H524-C527 PolarHBondContact O-SG 3.04Å; C527-L529 PolarHBondContact O-N 2.85Å; C527-R534 PolarHBondContact O-NH1 2.94Å; C527-C544 WeakPolarHBondContact CA-SG 3.45Å; C527-C544 HydrophobicContact CB-CB 3.7Å; C527-C544 WeakPolarHBondContact CB-SG 3.21Å; C527-C544 PolarHBondContact N-SG 3.26Å; C527-C544 WeakPolarHBondContact SG-CA 3.27Å; C527-C544 WeakPolarHBondContact SG-CB 3.49Å; C527-C544 CovalentContact SG-SG 2.04Å; C527-C544 PolarHBondContact SG-SG 3.38Å
528	P	67.4	Low	71.5	Confident	50 Å²	50	53.9 Å²	53.9	33%	0.325	31%	0.306	S	S	.	.			trans	-49.7	129.9	-177	-29	35.6	0	0	0	112.6	I530 R534 V547	P528-I530 HydrophobicContact CB-CD1 3.98Å; P528-I530 HydrophobicContact CB-CG1 4.15Å; P528-R534 WeakPolarHBondContact O-CA 3.13Å; P528-V547 HydrophobicContact CB-CG2 4.39Å; P528-V547 HydrophobicContact CG-CG2 4.18Å
529	L	68.5	Low	73.2	Confident	112 Å²	112	52.4 Å²	52.4	59%	0.586	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.1	173.6	-174.3	73.5	0	0	0	108	C527 G532 R534	C527-L529 PolarHBondContact O-N 2.85Å; L529-G532 WeakPolarHBondContact CD1-O 3.41Å; L529-R534 HydrophobicContact CD1-CG 3.75Å
530	I	63.6	Low	74.7	Confident	21 Å²	21	49.5 Å²	49.5	11%	0.108	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.8	-173.2	-58	171.7	0	0	0	107.4	K223 P528 G532 K533 Y535 V547 Q551	K223-I530 HydrophobicContact CD-CD1 4.46Å; P528-I530 HydrophobicContact CB-CD1 3.98Å; P528-I530 HydrophobicContact CB-CG1 4.15Å; I530-G532 VanDerWaalsContact C-N 3.33Å; I530-G532 PolarHBondContact O-N 2.87Å; I530-K533 PolarHBondContact N-O 3.38Å; I530-K533 PolarHBondContact O-N 2.86Å; I530-K533 VanDerWaalsContact O-N 3.14Å; I530-K533 VanDerWaalsContact O-O 3.14Å; I530-Y535 HydrophobicContact CB-CD2 4.49Å; I530-Y535 HydrophobicContact CB-CE2 4.05Å; I530-V547 HydrophobicContact CD1-CB 4.45Å; I530-V547 HydrophobicContact CD1-CG1 3.78Å; I530-V547 HydrophobicContact CD1-CG2 3.97Å; I530-Q551 VanDerWaalsContact CG2-OE1 3.28Å
531	Q	61.4	Low	76	Confident	114 Å²	114	54 Å²	54	53%	0.533	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	52.4	-176	-64.6	167.2	-67	0	0	112.1	K533	Q531-K533 PolarHBondContact O-N 3.48Å
532	G	65.4	Low	76.5	Confident	62 Å²	62	59.2 Å²	59.2	64%	0.639	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	-20.5	-179.6	0	0	0	0	0	116.3	L529 I530	L529-G532 WeakPolarHBondContact CD1-O 3.41Å; I530-G532 VanDerWaalsContact C-N 3.33Å; I530-G532 PolarHBondContact O-N 2.87Å
533	K	68	Low	77	Confident	76 Å²	76	57.5 Å²	57.5	33%	0.33	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151.3	-178.9	-173.8	169.1	174.7	-174.4	0	112	F220 I530 Q531 Y535	F220-K533 PolarHBondContact O-NZ 2.7Å; I530-K533 PolarHBondContact N-O 3.38Å; I530-K533 PolarHBondContact O-N 2.86Å; I530-K533 VanDerWaalsContact O-N 3.14Å; I530-K533 VanDerWaalsContact O-O 3.14Å; Q531-K533 PolarHBondContact O-N 3.48Å; K533-Y535 HydrophobicContact CB-CE2 3.91Å; K533-Y535 HydrophobicContact CD-CD1 4.42Å; K533-Y535 HydrophobicContact CD-CE1 3.66Å; K533-Y535 HydrophobicContact CG-CD1 4.46Å; K533-Y535 HydrophobicContact CG-CE1 3.95Å; K533-Y535 HydrophobicContact CG-CE2 4.01Å
534	R	80.1	Confident	77.1	Confident	83 Å²	83	57.8 Å²	57.8	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	151.4	168.7	-64.1	-178.5	-176.1	-96.9	13.8	110	C523 T525 C527 P528 L529	C523-R534 HydrophobicContact CB-CB 3.83Å; T525-R534 VanDerWaalsContact C-NH1 3.3Å; T525-R534 VanDerWaalsContact O-CZ 3.31Å; T525-R534 PolarHBondContact O-NH1 2.85Å; T525-R534 PolarHBondContact O-NH2 2.84Å; C527-R534 PolarHBondContact O-NH1 2.94Å; P528-R534 WeakPolarHBondContact O-CA 3.13Å; L529-R534 HydrophobicContact CD1-CG 3.75Å
535	Y	81.8	Confident	76.9	Confident	26 Å²	26	54.8 Å²	54.8	10%	0.102	30%	0.297	C	S	.	.			trans	-130.3	135.6	-172.9	-59	-87.8	0	0	0	112.9	T221 K223 C523 I530 K533 Q545	T221-Y535 CarbonylContact O-C 3.27Å; T221-Y535 VanDerWaalsContact O-CA 3.22Å; T221-Y535 WeakPolarHBondContact O-CA 3.32Å; K223-Y535 HydrophobicContact CB-CD1 3.55Å; K223-Y535 HydrophobicContact CB-CD2 4.33Å; K223-Y535 HydrophobicContact CB-CE1 3.65Å; K223-Y535 HydrophobicContact CB-CE2 4.48Å; K223-Y535 HydrophobicContact CB-CG 3.86Å; K223-Y535 HydrophobicContact CD-CD2 4.29Å; K223-Y535 HydrophobicContact CD-CE1 4.39Å; K223-Y535 HydrophobicContact CD-CE2 3.98Å; K223-Y535 HydrophobicContact CG-CD1 4.4Å; K223-Y535 HydrophobicContact CG-CE1 4.04Å; C523-Y535 VanDerWaalsContact SG-C 3.56Å; I530-Y535 HydrophobicContact CB-CD2 4.49Å; I530-Y535 HydrophobicContact CB-CE2 4.05Å; K533-Y535 HydrophobicContact CB-CE2 3.91Å; K533-Y535 HydrophobicContact CD-CD1 4.42Å; K533-Y535 HydrophobicContact CD-CE1 3.66Å; K533-Y535 HydrophobicContact CG-CD1 4.46Å; K533-Y535 HydrophobicContact CG-CE1 3.95Å; K533-Y535 HydrophobicContact CG-CE2 4.01Å; Y535-Q545 PolarHBondContact O-N 2.81Å; Y535-Q545 VanDerWaalsContact O-N 3.13Å
536	C	86	Confident	76.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-164.4	156.8	-169.8	60.6	0	0	0	0	113.1	T221 L222 C523 G538 Q543	T221-C536 CarbonylContact C-O 3.6Å; T221-C536 WeakPolarHBondContact CB-O 3.26Å; T221-C536 PolarHBondContact O-N 3.06Å; T221-C536 PolarHBondContact OG1-O 3.08Å; L222-C536 WeakPolarHBondContact CD2-O 3.47Å; C523-C536 WeakPolarHBondContact CA-SG 3.19Å; C523-C536 HydrophobicContact CB-CB 3.58Å; C523-C536 WeakPolarHBondContact CB-SG 2.97Å; C523-C536 WeakPolarHBondContact SG-CB 3.46Å; C523-C536 PolarHBondContact SG-N 3.18Å; C523-C536 VanDerWaalsContact SG-N 3.39Å; C523-C536 CovalentContact SG-SG 2.03Å; C523-C536 PolarHBondContact SG-SG 2.9Å; C536-G538 VanDerWaalsContact CB-O 3.25Å; C536-G538 WeakPolarHBondContact CB-O 3.03Å; C536-G538 PolarHBondContact SG-O 2.82Å; C536-Q543 CarbonylContact C-O 3.56Å; C536-Q543 WeakPolarHBondContact CA-O 3.47Å; C536-Q543 WeakPolarHBondContact CB-O 3.39Å
537	W	85	Confident	75.7	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.008	27%	0.27	C	S	.	.	S	Bend	trans	-79.8	-23.8	168	-61.8	92.5	0	0	0	112.4	M196 F199 Y217 T218 L222 M227 Q543	M196-W537 HydrophobicContact CB-CD2 4.49Å; M196-W537 HydrophobicContact CB-CE3 4.24Å; M196-W537 HydrophobicContact CB-CH2 3.67Å; M196-W537 HydrophobicContact CB-CZ2 3.87Å; M196-W537 HydrophobicContact CB-CZ3 3.84Å; M196-W537 HydrophobicContact CG-CH2 4.16Å; M196-W537 HydrophobicContact CG-CZ3 3.97Å; M196-W537 VanDerWaalsContact O-CZ2 3.25Å; M196-W537 WeakPolarHBondContact O-CZ2 3.32Å; M196-W537 PolarHBondContact O-NE1 3.28Å; M196-W537 HydrophobicContact SD-CH2 4.1Å; M196-W537 HydrophobicContact SD-CZ3 4.1Å; F199-W537 HydrophobicContact CB-CH2 4.42Å; F199-W537 HydrophobicContact CB-CZ2 3.98Å; F199-W537 HydrophobicContact CD1-CH2 4.11Å; F199-W537 HydrophobicContact CD1-CZ2 4.22Å; Y217-W537 WeakPolarHBondContact CB-O 3.17Å; T218-W537 HydrophobicContact CG2-CE3 3.59Å; T218-W537 HydrophobicContact CG2-CZ3 4.18Å; L222-W537 HydrophobicContact CD1-CD2 4.05Å; L222-W537 HydrophobicContact CD1-CE3 3.7Å; L222-W537 HydrophobicContact CD1-CH2 3.63Å; L222-W537 HydrophobicContact CD1-CZ2 4.01Å; L222-W537 HydrophobicContact CD1-CZ3 3.48Å; L222-W537 VanDerWaalsContact CD1-CZ3 3.48Å; L222-W537 HydrophobicContact CD2-CD2 3.85Å; L222-W537 HydrophobicContact CD2-CE3 4.35Å; L222-W537 HydrophobicContact CD2-CG 4.09Å; L222-W537 HydrophobicContact CD2-CZ2 4.18Å; M227-W537 HydrophobicContact CE-CH2 4.33Å; M227-W537 HydrophobicContact CE-CZ2 3.58Å; W537-Q543 PolarHBondContact N-O 3.45Å
538	G	79.6	Confident	74.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-168.8	-177.1	-177.9	0	0	0	0	0	112.8	C536 G540 Q543	C536-G538 VanDerWaalsContact CB-O 3.25Å; C536-G538 WeakPolarHBondContact CB-O 3.03Å; C536-G538 PolarHBondContact SG-O 2.82Å; G538-G540 VanDerWaalsContact C-N 3.28Å; G538-G540 PolarHBondContact O-N 2.87Å; G538-Q543 VanDerWaalsContact CA-OE1 3.24Å
539	P	78.4	Confident	74.4	Confident	55 Å²	55	52.8 Å²	52.8	36%	0.357	28%	0.276	S	S	.	.	S	Bend	trans	-72.2	-10.9	-175.1	28.6	-34.6	0	0	0	115.6	Y217 Y258 H524 Q543	Y217-P539 HydrophobicContact CE1-CB 4.47Å; Y217-P539 HydrophobicContact CE2-CG 4.48Å; Y258-P539 HydrophobicContact CD1-CG 4.21Å; Y258-P539 HydrophobicContact CE1-CG 4.38Å; H524-P539 WeakPolarHBondContact CB-O 3.49Å; P539-Q543 VanDerWaalsContact N-OE1 3.07Å
540	G	76.6	Confident	73.5	Confident	17 Å²	17	49.3 Å²	49.3	18%	0.175	26%	0.261	C	S	.	.	S	Bend	trans	-73.8	161.8	-174.6	0	0	0	0	0	115.3	H524 G538 D542 Q543	H524-G540 VanDerWaalsContact CB-O 3.27Å; H524-G540 WeakPolarHBondContact CB-O 3.39Å; G538-G540 VanDerWaalsContact C-N 3.28Å; G538-G540 PolarHBondContact O-N 2.87Å; G540-D542 WeakPolarHBondContact CA-OD1 2.96Å; G540-Q543 PolarHBondContact O-N 2.89Å
541	R	81.5	Confident	72.7	Confident	187 Å²	187	53.5 Å²	53.5	71%	0.706	28%	0.28	S	S	*	.	S	Bend	trans	-70.7	-34.8	178.3	175.4	177.9	177.3	-172.4	-2	112.6	C544	R541-C544 PolarHBondContact O-SG 2.91Å
542	D	79.3	Confident	71.7	Confident	124 Å²	124	52.9 Å²	52.9	66%	0.663	28%	0.279	S	S	*	.	S	Bend	trans	-78.1	-31.2	174.6	48.4	-10.6	0	0	0	112.7	T197 G540 C544	T197-D542 WeakPolarHBondContact CG2-O 3.47Å; G540-D542 WeakPolarHBondContact CA-OD1 2.96Å; D542-C544 PolarHBondContact O-N 2.91Å
543	Q	82.7	Confident	70.4	Confident	26 Å²	26	58.8 Å²	58.8	12%	0.121	28%	0.282	C	S	.	.	S	Bend	trans	-76.8	11.6	178.6	-65.1	173.4	-29.6	0	0	114.5	E195 C536 W537 G538 P539 G540	E195-Q543 PolarHBondContact OE1-NE2 3.03Å; C536-Q543 CarbonylContact C-O 3.56Å; C536-Q543 WeakPolarHBondContact CA-O 3.47Å; C536-Q543 WeakPolarHBondContact CB-O 3.39Å; W537-Q543 PolarHBondContact N-O 3.45Å; G538-Q543 VanDerWaalsContact CA-OE1 3.24Å; P539-Q543 VanDerWaalsContact N-OE1 3.07Å; G540-Q543 PolarHBondContact O-N 2.89Å
544	C	82.4	Confident	68.9	Low	21 Å²	21	60.8 Å²	60.8	14%	0.142	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-66.6	149.2	175.2	-62.4	0	0	0	0	112.1	C527 R541 D542	C527-C544 WeakPolarHBondContact CA-SG 3.45Å; C527-C544 HydrophobicContact CB-CB 3.7Å; C527-C544 WeakPolarHBondContact CB-SG 3.21Å; C527-C544 PolarHBondContact N-SG 3.26Å; C527-C544 WeakPolarHBondContact SG-CA 3.27Å; C527-C544 WeakPolarHBondContact SG-CB 3.49Å; C527-C544 CovalentContact SG-SG 2.04Å; C527-C544 PolarHBondContact SG-SG 3.38Å; R541-C544 PolarHBondContact O-SG 2.91Å; D542-C544 PolarHBondContact O-N 2.91Å
545	Q	82.1	Confident	66.7	Low	5 Å²	5	59.9 Å²	59.9	2%	0.023	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-73.7	135.4	173.7	173.1	172.8	-7.5	0	0	111.1	L222 K223 M227 Y535 V547	L222-Q545 HydrophobicContact CD2-CB 4.24Å; K223-Q545 PolarHBondContact O-NE2 2.74Å; K223-Q545 VanDerWaalsContact O-NE2 3.14Å; M227-Q545 HydrophobicContact CE-CG 3.99Å; Y535-Q545 PolarHBondContact O-N 2.81Å; Y535-Q545 VanDerWaalsContact O-N 3.13Å; Q545-V547 HydrophobicContact CG-CG2 4.37Å
546	A	72.4	Confident	64.4	Low	30 Å²	30	65.1 Å²	65.1	25%	0.248	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.9	135.4	166	0	0	0	0	0	110.9
547	V	65.4	Low	62.3	Low	45 Å²	45	68.1 Å²	68.1	27%	0.273	36%	0.357	S	S	.	.			trans	-130.9	122.9	-172.6	177.3	0	0	0	0	108.5	E226 P528 I530 Q545	E226-V547 WeakPolarHBondContact OE2-CG1 3.39Å; P528-V547 HydrophobicContact CB-CG2 4.39Å; P528-V547 HydrophobicContact CG-CG2 4.18Å; I530-V547 HydrophobicContact CD1-CB 4.45Å; I530-V547 HydrophobicContact CD1-CG1 3.78Å; I530-V547 HydrophobicContact CD1-CG2 3.97Å; Q545-V547 HydrophobicContact CG-CG2 4.37Å
548	H	64.2	Low	60.2	Low	59 Å²	59	69.1 Å²	69.1	27%	0.273	37%	0.365	S	S	.	.			trans	-138.5	-2.1	-169.7	-68.9	-69.8	0	0	0	114.3	I200 E226 W560	I200-H548 HydrophobicContact CG2-CB 4.3Å; E226-H548 PolarHBondContact OE2-N 2.96Å; H548-W560 HydrophobicContact CB-CE3 4.21Å; H548-W560 HydrophobicContact CB-CZ3 4.49Å
549	K	58.6	Low	58.8	Low	43 Å²	43	72.9 Å²	72.9	19%	0.187	39%	0.385	C	S	.	.			trans	-98.7	134.3	-178.9	-144.1	172	-163.4	158.4	0	109.5	D225 E226 I228 N559 W560	D225-K549 PolarHBondContact O-NZ 3.27Å; E226-K549 WeakPolarHBondContact O-CD 3.35Å; E226-K549 PolarHBondContact O-NZ 3.22Å; E226-K549 WeakPolarHBondContact OE2-CB 3.42Å; E226-K549 PolarHBondContact OE2-N 3Å; E226-K549 VanDerWaalsContact OE2-N 3.09Å; I228-K549 PolarHBondContact O-NZ 3.43Å; K549-N559 WeakPolarHBondContact CG-O 3.44Å; K549-W560 HydrophobicContact CB-CE3 4.31Å; K549-W560 HydrophobicContact CB-CZ3 4.11Å; K549-W560 HydrophobicContact CD-CZ3 4.33Å; K549-W560 HydrophobicContact CG-CE3 4.27Å; K549-W560 HydrophobicContact CG-CZ3 4.08Å
550	C	50.1	Low	57.8	Low	40 Å²	40	71.3 Å²	71.3	27%	0.27	37%	0.372	S	S	.	.			trans	-86.2	126.3	-179.1	-138.1	0	0	0	0	110.9	I552 C561 E587	C550-I552 PolarHBondContact O-N 3.18Å; C550-C561 HydrophobicContact CB-CB 4.11Å; C550-E587 PolarHBondContact SG-OE1 2.95Å
551	Q	46.3	Very low	56.8	Low	109 Å²	109	71 Å²	71	51%	0.509	37%	0.367	S	S	.	.	S	Bend	trans	-71.6	-7.3	-176.8	-64.7	-159.6	-72.3	0	0	114.4	I530	I530-Q551 VanDerWaalsContact CG2-OE1 3.28Å
552	I	40.3	Very low	55.5	Low	101 Å²	101	65.2 Å²	65.2	52%	0.518	35%	0.347	S	S	.	.	S	Bend	trans	-126.8	121.2	179.7	-51.5	178.5	0	0	0	108.1	C550 L554	C550-I552 PolarHBondContact O-N 3.18Å; I552-L554 HydrophobicContact CG2-CD1 4.13Å; I552-L554 HydrophobicContact CG2-CG 4.01Å; I552-L554 PolarHBondContact O-N 3.15Å; I552-L554 VanDerWaalsContact O-N 3.17Å
553	R	37.9	Very low	54.1	Low	185 Å²	185	65.6 Å²	65.6	70%	0.698	34%	0.339	S	S	*	.			trans	-73.2	103	172.4	-75.2	-174.8	173.9	-167.8	-2.4	109.6
554	L	36.7	Very low	52.2	Low	118 Å²	118	67.4 Å²	67.4	62%	0.618	35%	0.352	S	S	*	.			trans	-117.6	-3.8	171.9	-78	165.3	0	0	0	113.6	I552	I552-L554 HydrophobicContact CG2-CD1 4.13Å; I552-L554 HydrophobicContact CG2-CG 4.01Å; I552-L554 PolarHBondContact O-N 3.15Å; I552-L554 VanDerWaalsContact O-N 3.17Å
555	C	33.3	Very low	50	Low	65 Å²	65	74.8 Å²	74.8	44%	0.439	38%	0.382	S	S	.	.	S	Bend	trans	-129.9	141.5	179.4	-61	0	0	0	0	110.9	C589	C555-C589 VanDerWaalsContact SG-SG 3.67Å
556	E	34.2	Very low	47.6	Very low	136 Å²	136	79.5 Å²	79.5	64%	0.636	42%	0.416	S	S	*	.	S	Bend	trans	-74.3	152.3	161.5	-64.8	179.5	-173.5	0	0	109.9	S558 L1226	E556-S558 PolarHBondContact O-N 2.71Å; E556-L1226 HydrophobicContact CG-CD1 3.86Å; E556-L1226 VanDerWaalsContact OE1-CD1 3.22Å; E556-L1226 WeakPolarHBondContact OE1-CD1 3.31Å
557	G	40.8	Very low	45.6	Very low	62 Å²	62	85.6 Å²	85.6	64%	0.639	44%	0.444	S	S	*	.	S	Bend	trans	90.3	-13	163.8	0	0	0	0	0	119.1	S592	G557-S592 WeakPolarHBondContact O-CA 3.25Å; G557-S592 VanDerWaalsContact O-CB 3.24Å; G557-S592 WeakPolarHBondContact O-CB 3.29Å
558	S	40.5	Very low	43.8	Very low	24 Å²	24	90.8 Å²	90.8	17%	0.168	47%	0.465	C	S	.	.			trans	-147.7	139.7	175	69.3	0	0	0	0	114.7	E556 W560 C590	E556-S558 PolarHBondContact O-N 2.71Å; S558-W560 VanDerWaalsContact C-N 3.3Å; S558-C590 WeakPolarHBondContact CB-O 3.41Å; S558-C590 PolarHBondContact OG-O 2.65Å
559	N	52.1	Low	42.1	Very low	79 Å²	79	98.1 Å²	98.1	42%	0.422	49%	0.492	S	S	.	.	S	Bend	trans	-81.1	-11	172.4	-72.2	-39.5	0	0	0	112.9	K549	K549-N559 WeakPolarHBondContact CG-O 3.44Å
560	W	57.2	Low	40.7	Very low	22 Å²	22	107.2 Å²	107.2	8%	0.083	53%	0.527	C	S	.	.			trans	-117.3	94.8	-166.7	-50.6	114.8	0	0	0	110.2	H548 K549 S558 C590 C594 A595	H548-W560 HydrophobicContact CB-CE3 4.21Å; H548-W560 HydrophobicContact CB-CZ3 4.49Å; K549-W560 HydrophobicContact CB-CE3 4.31Å; K549-W560 HydrophobicContact CB-CZ3 4.11Å; K549-W560 HydrophobicContact CD-CZ3 4.33Å; K549-W560 HydrophobicContact CG-CE3 4.27Å; K549-W560 HydrophobicContact CG-CZ3 4.08Å; S558-W560 VanDerWaalsContact C-N 3.3Å; W560-C590 HydrophobicContact CB-CB 4.08Å; W560-C590 PolarHBondContact O-N 2.67Å; W560-C594 VanDerWaalsContact CD1-O 3.25Å; W560-C594 PolarHBondContact NE1-O 2.88Å; W560-A595 WeakPolarHBondContact CZ2-O 3.25Å
561	C	54.8	Low	39.7	Very low	11 Å²	11	112.3 Å²	112.3	7%	0.074	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142	170.4	-52.2	0	0	0	0	109.2	C550 E587 Q588 C589	C550-C561 HydrophobicContact CB-CB 4.11Å; C561-E587 HydrophobicContact CB-CG 4.14Å; C561-Q588 CarbonylContact C-O 3.57Å; C561-Q588 VanDerWaalsContact CA-O 3.29Å; C561-Q588 WeakPolarHBondContact CA-O 3.4Å; C561-C589 HydrophobicContact CB-CB 4.02Å; C561-C589 WeakPolarHBondContact CB-SG 3.38Å; C561-C589 WeakPolarHBondContact SG-CB 2.97Å; C561-C589 CovalentContact SG-SG 2.04Å; C561-C589 PolarHBondContact SG-SG 2.72Å
562	F	53.8	Low	38.8	Very low	65 Å²	65	115.8 Å²	115.8	29%	0.285	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.1	151.1	178.8	63.8	-86	0	0	0	111.9	T564 Q588	F562-T564 HydrophobicContact CD2-CG2 4.14Å; F562-T564 HydrophobicContact CE2-CG2 3.84Å; F562-Q588 HydrophobicContact CD1-CB 4.4Å; F562-Q588 WeakPolarHBondContact CD1-O 3.48Å; F562-Q588 HydrophobicContact CD2-CB 4.45Å; F562-Q588 HydrophobicContact CE1-CB 3.93Å; F562-Q588 HydrophobicContact CE2-CB 3.99Å; F562-Q588 VanDerWaalsContact CE2-OE1 3.23Å; F562-Q588 HydrophobicContact CZ-CB 3.71Å; F562-Q588 PolarHBondContact N-O 3.24Å; F562-Q588 PolarHBondContact O-N 3.44Å
563	R	49.6	Very low	38.3	Very low	131 Å²	131	118.1 Å²	118.1	49%	0.494	57%	0.574	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	116.8	176.1	-64.7	-177.9	-178.3	-171	-5.9	109.2	E587	R563-E587 IonicContact CZ-OE1 2.77Å; R563-E587 IonicContact NE-OE1 3.02Å; R563-E587 PolarHBondContact NE-OE1 3.49Å; R563-E587 IonicContact NE-OE2 3.94Å; R563-E587 IonicContact NH2-OE1 3.27Å; R563-E587 PolarHBondContact NH2-OE1 2.85Å; R563-E587 IonicContact NH2-OE2 3.15Å; R563-E587 PolarHBondContact NH2-OE2 3.45Å
564	T	44.5	Very low	37.9	Very low	64 Å²	64	117.2 Å²	117.2	39%	0.393	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-73	137.5	170.8	48.6	0	0	0	0	109.7	F562 S566	F562-T564 HydrophobicContact CD2-CG2 4.14Å; F562-T564 HydrophobicContact CE2-CG2 3.84Å; T564-S566 PolarHBondContact O-N 3.36Å
565	K	35.9	Very low	37.5	Very low	176 Å²	176	117.9 Å²	117.9	77%	0.765	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-71.9	120.6	159.7	-81.5	-167.4	171.6	-165.7	0	107.6
566	S	31.7	Very low	37.1	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-60	137.9	165.2	51	0	0	0	0	110	T564 E568	T564-S566 PolarHBondContact O-N 3.36Å; S566-E568 PolarHBondContact O-N 3Å
567	N	30	Very low	36.8	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-48.8	127.3	-172.3	-74.4	-22.4	0	0	0	114	Y569	N567-Y569 PolarHBondContact O-N 3.03Å
568	E	28.6	Very low	36	Very low	154 Å²	154	134.9 Å²	134.9	72%	0.72	63%	0.629	S	S	*	*	S	Bend	trans	-72.7	75.8	166.3	-70.1	179.3	128	0	0	110.2	S566	S566-E568 PolarHBondContact O-N 3Å
569	Y	28.2	Very low	35.2	Very low	214 Å²	214	142.1 Å²	142.1	84%	0.839	66%	0.662	S	S	*	*			trans	-120.2	1.9	167.9	-143.7	-94	0	0	0	113.7	N567	N567-Y569 PolarHBondContact O-N 3.03Å
570	Y	28.1	Very low	33.9	Very low	234 Å²	234	145.7 Å²	145.7	92%	0.918	68%	0.681	S	S	*	*			trans	-118.4	96.7	165.6	-92.6	-92.1	0	0	0	109.4
571	Q	29.9	Very low	32.5	Very low	147 Å²	147	153.2 Å²	153.2	69%	0.687	72%	0.715	S	S	*	*			trans	-103.5	164	169.5	-78.4	-165.9	-10	0	0	111.2
572	K	27.9	Very low	31.1	Very low	182 Å²	182	161 Å²	161	79%	0.791	75%	0.754	S	S	*	*			trans	84.2	148.1	168	-56.3	179	178.6	176	0	116.1
573	N	28.3	Very low	29.8	Very low	150 Å²	150	162.8 Å²	162.8	80%	0.802	77%	0.77	S	S	*	*			trans	65.6	82.5	173.2	-56.2	-1.9	0	0	0	116.4
574	L	29.2	Very low	28.8	Very low	165 Å²	165	162.6 Å²	162.6	86%	0.864	79%	0.789	S	S	*	*			trans	-175.2	90.3	133.1	-101.1	157.2	0	0	0	111.1
575	T	28.9	Very low	28.3	Very low	132 Å²	132	162.2 Å²	162.2	81%	0.81	79%	0.789	S	S	*	*			trans	-71.2	166.8	146.5	39.8	0	0	0	0	109
576	Y	26.1	Very low	28.6	Very low	209 Å²	209	162.3 Å²	162.3	82%	0.82	79%	0.789	S	S	*	*			trans	75.6	59.4	173.4	-150.4	-87.7	0	0	0	116.5
577	Y	26.9	Very low	29.5	Very low	216 Å²	216	160.2 Å²	160.2	85%	0.847	77%	0.768	S	S	*	*			trans	-149.3	154.9	142.9	-103.3	-70.4	0	0	0	111.5
578	K	24.4	Very low	30.9	Very low	195 Å²	195	157.2 Å²	157.2	85%	0.848	75%	0.749	S	S	*	*			trans	-128.8	123.4	-169.5	-171.7	179.5	-176.7	-179.3	0	109.4
579	M	23.8	Very low	32.7	Very low	177 Å²	177	151.1 Å²	151.1	87%	0.872	72%	0.723	S	S	*	*	S	Bend	trans	65.3	161.2	-173.8	-70.4	179.5	157	0	0	116
580	N	25	Very low	34.7	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	69%	0.686	S	S	*	*			trans	60.1	103.1	-178.8	-64	-8.2	0	0	0	116.9
581	F	26.2	Very low	37.1	Very low	180 Å²	180	131.7 Å²	131.7	79%	0.789	65%	0.649	S	S	*	*			trans	-137.1	97.1	155.6	-104.9	-81.7	0	0	0	110.2	T583	F581-T583 HydrophobicContact CD1-CG2 3.81Å; F581-T583 HydrophobicContact CE1-CG2 4.2Å
582	I	26.3	Very low	39.1	Very low	176 Å²	176	126 Å²	126	90%	0.903	63%	0.625	S	S	*	*			trans	-93.4	108.7	161.2	-62.8	172.6	0	0	0	105.5
583	T	26.4	Very low	41.6	Very low	102 Å²	102	117.3 Å²	117.3	63%	0.626	59%	0.588	S	S	*	*			trans	-124.3	138.6	173.7	33.8	0	0	0	0	110.2	F581 S585	F581-T583 HydrophobicContact CD1-CG2 3.81Å; F581-T583 HydrophobicContact CE1-CG2 4.2Å; T583-S585 PolarHBondContact O-N 3.33Å
584	S	29.1	Very low	43.9	Very low	126 Å²	126	110.1 Å²	110.1	88%	0.881	55%	0.549	S	S	*	.			trans	-79	80.9	-164	57.3	0	0	0	0	113.5
585	S	34.4	Very low	45.8	Very low	56 Å²	56	102.3 Å²	102.3	39%	0.392	51%	0.508	S	S	.	.			trans	-75.1	118.6	160.4	60.5	0	0	0	0	109.6	T583 E587	T583-S585 PolarHBondContact O-N 3.33Å; S585-E587 PolarHBondContact O-N 3.26Å; S585-E587 VanDerWaalsContact O-N 3.13Å
586	K	41.3	Very low	47.4	Very low	179 Å²	179	96.2 Å²	96.2	78%	0.778	47%	0.471	S	S	*	.			trans	-66.3	112.1	169.2	-84.7	-172	174	-178.7	0	109.3
587	E	49.9	Very low	49.4	Very low	60 Å²	60	86.9 Å²	86.9	28%	0.28	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.7	172	-167.6	139.2	-132.6	0	0	109	C550 C561 R563 S585	C550-E587 PolarHBondContact SG-OE1 2.95Å; C561-E587 HydrophobicContact CB-CG 4.14Å; R563-E587 IonicContact CZ-OE1 2.77Å; R563-E587 IonicContact NE-OE1 3.02Å; R563-E587 PolarHBondContact NE-OE1 3.49Å; R563-E587 IonicContact NE-OE2 3.94Å; R563-E587 IonicContact NH2-OE1 3.27Å; R563-E587 PolarHBondContact NH2-OE1 2.85Å; R563-E587 IonicContact NH2-OE2 3.15Å; R563-E587 PolarHBondContact NH2-OE2 3.45Å; S585-E587 PolarHBondContact O-N 3.26Å; S585-E587 VanDerWaalsContact O-N 3.13Å
588	Q	61	Low	51.8	Low	94 Å²	94	77.2 Å²	77.2	44%	0.439	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.6	179.9	-71.3	-175.3	-47.6	0	0	108.9	C561 F562	C561-Q588 CarbonylContact C-O 3.57Å; C561-Q588 VanDerWaalsContact CA-O 3.29Å; C561-Q588 WeakPolarHBondContact CA-O 3.4Å; F562-Q588 HydrophobicContact CD1-CB 4.4Å; F562-Q588 WeakPolarHBondContact CD1-O 3.48Å; F562-Q588 HydrophobicContact CD2-CB 4.45Å; F562-Q588 HydrophobicContact CE1-CB 3.93Å; F562-Q588 HydrophobicContact CE2-CB 3.99Å; F562-Q588 VanDerWaalsContact CE2-OE1 3.23Å; F562-Q588 HydrophobicContact CZ-CB 3.71Å; F562-Q588 PolarHBondContact N-O 3.24Å; F562-Q588 PolarHBondContact O-N 3.44Å
589	C	64.5	Low	54.2	Low	27 Å²	27	76.6 Å²	76.6	18%	0.182	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	151.6	177.9	-65.3	0	0	0	0	111.6	C555 C561 P601	C555-C589 VanDerWaalsContact SG-SG 3.67Å; C561-C589 HydrophobicContact CB-CB 4.02Å; C561-C589 WeakPolarHBondContact CB-SG 3.38Å; C561-C589 WeakPolarHBondContact SG-CB 2.97Å; C561-C589 CovalentContact SG-SG 2.04Å; C561-C589 PolarHBondContact SG-SG 2.72Å; C589-P601 WeakPolarHBondContact O-CA 3.09Å
590	C	71.8	Confident	56.3	Low	9 Å²	9	68.9 Å²	68.9	6%	0.061	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-91.1	164.8	175.2	-58.8	0	0	0	0	112.2	S558 W560 C594 C598	S558-C590 WeakPolarHBondContact CB-O 3.41Å; S558-C590 PolarHBondContact OG-O 2.65Å; W560-C590 HydrophobicContact CB-CB 4.08Å; W560-C590 PolarHBondContact O-N 2.67Å; C590-C594 HydrophobicContact CB-CB 3.92Å; C590-C598 WeakPolarHBondContact CA-SG 3.44Å; C590-C598 HydrophobicContact CB-CB 3.65Å; C590-C598 WeakPolarHBondContact CB-SG 3.41Å; C590-C598 WeakPolarHBondContact SG-CB 3.31Å; C590-C598 PolarHBondContact SG-N 3.33Å; C590-C598 VanDerWaalsContact SG-N 3.43Å; C590-C598 CovalentContact SG-SG 2.03Å; C590-C598 PolarHBondContact SG-SG 2.97Å
591	H	77.9	Confident	58.5	Low	30 Å²	30	66 Å²	66	14%	0.139	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-66.3	154.9	169.3	-168.2	-102.2	0	0	0	111.8	E593 C594 P601	H591-E593 VanDerWaalsContact C-N 3.29Å; H591-E593 PolarHBondContact ND1-N 3.4Å; H591-E593 PolarHBondContact O-N 3.03Å; H591-C594 PolarHBondContact N-SG 3.39Å; H591-C594 WeakPolarHBondContact O-CB 3.39Å; H591-C594 PolarHBondContact O-N 2.84Å; H591-C594 PolarHBondContact O-SG 2.77Å; H591-P601 WeakPolarHBondContact CB-O 3.24Å
592	S	71.8	Confident	61	Low	27 Å²	27	65.9 Å²	65.9	19%	0.189	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.1	-179.1	67.3	0	0	0	0	112.8	G557 C594 N1094	G557-S592 WeakPolarHBondContact O-CA 3.25Å; G557-S592 VanDerWaalsContact O-CB 3.24Å; G557-S592 WeakPolarHBondContact O-CB 3.29Å; S592-C594 PolarHBondContact O-N 2.84Å; S592-N1094 PolarHBondContact OG-N 2.77Å; S592-N1094 PolarHBondContact OG-O 3.4Å
593	E	80.9	Confident	63.4	Low	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	8	178.5	-59.2	-51.9	121.9	0	0	115	H591 L610 R611 C618 N1094 Y1096	H591-E593 VanDerWaalsContact C-N 3.29Å; H591-E593 PolarHBondContact ND1-N 3.4Å; H591-E593 PolarHBondContact O-N 3.03Å; E593-L610 WeakPolarHBondContact O-CB 3.31Å; E593-L610 PolarHBondContact O-N 2.96Å; E593-R611 VanDerWaalsContact CD-NH2 3.31Å; E593-R611 IonicContact OE1-CZ 2.69Å; E593-R611 IonicContact OE1-NE 3.78Å; E593-R611 IonicContact OE1-NH2 2.82Å; E593-R611 PolarHBondContact OE1-NH2 3.3Å; E593-R611 IonicContact OE2-CZ 2.72Å; E593-R611 IonicContact OE2-NE 2.69Å; E593-R611 PolarHBondContact OE2-NE 3.3Å; E593-R611 IonicContact OE2-NH2 3.16Å; E593-R611 PolarHBondContact OE2-NH2 2.82Å; E593-C618 HydrophobicContact CB-CB 3.83Å; E593-N1094 HydrophobicContact CG-CB 4.27Å; E593-N1094 WeakPolarHBondContact OE1-CB 3.36Å; E593-Y1096 WeakPolarHBondContact OE1-CE2 3.26Å; E593-Y1096 PolarHBondContact OE2-OH 3.06Å
594	C	76.3	Confident	66.2	Low	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-83	125.3	170.9	-57.4	0	0	0	0	110.6	W560 C590 H591 S592 A596 C606	W560-C594 VanDerWaalsContact CD1-O 3.25Å; W560-C594 PolarHBondContact NE1-O 2.88Å; C590-C594 HydrophobicContact CB-CB 3.92Å; H591-C594 PolarHBondContact N-SG 3.39Å; H591-C594 WeakPolarHBondContact O-CB 3.39Å; H591-C594 PolarHBondContact O-N 2.84Å; H591-C594 PolarHBondContact O-SG 2.77Å; S592-C594 PolarHBondContact O-N 2.84Å; C594-A596 VanDerWaalsContact C-N 3.33Å; C594-A596 PolarHBondContact O-N 3.48Å; C594-C606 WeakPolarHBondContact CA-SG 3.2Å; C594-C606 HydrophobicContact CB-CB 3.71Å; C594-C606 WeakPolarHBondContact CB-SG 3.46Å; C594-C606 PolarHBondContact N-SG 3.42Å; C594-C606 WeakPolarHBondContact SG-CA 3.29Å; C594-C606 WeakPolarHBondContact SG-CB 3.39Å; C594-C606 CovalentContact SG-SG 2.04Å; C594-C606 PolarHBondContact SG-SG 3.22Å
595	A	69	Low	68.8	Low	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-73.7	-18.6	-170.7	0	0	0	0	0	116	L137 W560 A608 L610	L137-A595 HydrophobicContact CD1-CB 4.17Å; L137-A595 HydrophobicContact CD2-CB 3.82Å; W560-A595 WeakPolarHBondContact CZ2-O 3.25Å; A595-A608 HydrophobicContact CB-CB 4.2Å; A595-A608 PolarHBondContact N-O 3.11Å; A595-L610 HydrophobicContact CB-CB 4.05Å; A595-L610 HydrophobicContact CB-CD1 4.01Å
596	A	61.4	Low	71	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.033	26%	0.256	C	S	.	.	S	Bend	trans	-167.5	-43.7	-161.3	0	0	0	0	0	114.2	I200 C594	I200-A596 HydrophobicContact CB-CB 3.74Å; I200-A596 HydrophobicContact CD1-CB 4.04Å; I200-A596 HydrophobicContact CG1-CB 4.42Å; I200-A596 HydrophobicContact CG2-CB 3.64Å; C594-A596 VanDerWaalsContact C-N 3.33Å; C594-A596 PolarHBondContact O-N 3.48Å
597	S	69.3	Low	72.7	Confident	13 Å²	13	47.6 Å²	47.6	9%	0.091	23%	0.228	C	C	.	.			trans	-160.7	168.9	-177	52.6	0	0	0	0	111.4	I200 N607	I200-S597 WeakPolarHBondContact CD1-OG 3.41Å; S597-N607 VanDerWaalsContact O-CB 3.27Å; S597-N607 WeakPolarHBondContact O-CB 3.47Å; S597-N607 PolarHBondContact O-N 2.96Å; S597-N607 VanDerWaalsContact OG-CB 3.31Å; S597-N607 WeakPolarHBondContact OG-CB 3.5Å; S597-N607 PolarHBondContact OG-ND2 2.9Å
598	C	76	Confident	74	Confident	13 Å²	13	45 Å²	45	9%	0.088	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-153.6	165.6	-177.4	62	0	0	0	0	111.3	C590 G600 D605	C590-C598 WeakPolarHBondContact CA-SG 3.44Å; C590-C598 HydrophobicContact CB-CB 3.65Å; C590-C598 WeakPolarHBondContact CB-SG 3.41Å; C590-C598 WeakPolarHBondContact SG-CB 3.31Å; C590-C598 PolarHBondContact SG-N 3.33Å; C590-C598 VanDerWaalsContact SG-N 3.43Å; C590-C598 CovalentContact SG-SG 2.03Å; C590-C598 PolarHBondContact SG-SG 2.97Å; C598-G600 VanDerWaalsContact CB-O 3.29Å; C598-G600 WeakPolarHBondContact CB-O 3.39Å; C598-G600 PolarHBondContact SG-O 2.71Å; C598-D605 CarbonylContact C-O 3.42Å; C598-D605 VanDerWaalsContact CA-O 3.3Å; C598-D605 WeakPolarHBondContact CA-O 3.32Å; C598-D605 WeakPolarHBondContact CB-O 3.46Å
599	Y	74.8	Confident	75	Confident	183 Å²	183	40.6 Å²	40.6	72%	0.718	20%	0.197	S	C	*	.	S	Bend	trans	-98.4	-3.9	170.2	-55.6	-78.8	0	0	0	112.6	D605 N607	Y599-D605 WeakPolarHBondContact CD2-O 3.34Å; Y599-D605 PolarHBondContact N-O 2.69Å; Y599-N607 HydrophobicContact CE2-CB 4.23Å; Y599-N607 PolarHBondContact OH-OD1 2.64Å
600	G	67.9	Low	75.5	Confident	14 Å²	14	40.4 Å²	40.4	14%	0.144	19%	0.194	C	C	.	.	S	Bend	trans	179.5	177.4	-173.7	0	0	0	0	0	111.8	C598 R602 D605	C598-G600 VanDerWaalsContact CB-O 3.29Å; C598-G600 WeakPolarHBondContact CB-O 3.39Å; C598-G600 PolarHBondContact SG-O 2.71Å; G600-R602 PolarHBondContact O-N 3.46Å; G600-D605 VanDerWaalsContact C-OD2 3.26Å; G600-D605 WeakPolarHBondContact CA-OD2 3.47Å; G600-D605 WeakPolarHBondContact O-CB 3.5Å
601	P	72	Confident	75.8	Confident	92 Å²	92	42.3 Å²	42.3	60%	0.597	20%	0.2	S	C	*	.	S	Bend	trans	-83.3	-5.6	-170.2	33.3	-36.6	0	0	0	115.2	C589 H591	C589-P601 WeakPolarHBondContact O-CA 3.09Å; H591-P601 WeakPolarHBondContact CB-O 3.24Å
602	R	78	Confident	76.1	Confident	179 Å²	179	41.7 Å²	41.7	68%	0.675	20%	0.198	S	C	*	.	S	Bend	trans	-89.8	156.6	-173.8	-53.4	166.4	171.7	153.9	-4.6	111.9	G600 R604 D605	G600-R602 PolarHBondContact O-N 3.46Å; R602-R604 PolarHBondContact O-N 2.93Å; R602-D605 VanDerWaalsContact CB-OD2 3.23Å; R602-D605 WeakPolarHBondContact CB-OD2 3.41Å; R602-D605 WeakPolarHBondContact CG-OD2 3.4Å; R602-D605 PolarHBondContact N-OD2 2.98Å; R602-D605 WeakPolarHBondContact O-CB 3.34Å; R602-D605 PolarHBondContact O-N 3.12Å
603	A	78.4	Confident	76.8	Confident	17 Å²	17	40.4 Å²	40.4	14%	0.14	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-21	174.8	0	0	0	0	0	115	V617 C618	A603-V617 HydrophobicContact CB-CG1 3.59Å; A603-C618 WeakPolarHBondContact O-CB 3.39Å; A603-C618 PolarHBondContact O-N 3.29Å
604	R	85.1	Confident	77.2	Confident	160 Å²	160	42 Å²	42	60%	0.604	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-22.2	172.7	174.4	170	-82.5	-171.7	-7.2	113.1	R602 C606 R615 V617	R602-R604 PolarHBondContact O-N 2.93Å; R604-C606 VanDerWaalsContact C-N 3.27Å; R604-C606 PolarHBondContact O-N 2.96Å; R604-R615 PolarHBondContact NH2-O 3.39Å; R604-V617 HydrophobicContact CB-CG2 4.5Å
605	D	83.5	Confident	77.7	Confident	37 Å²	37	50 Å²	50	20%	0.198	23%	0.227	C	C	.	.	S	Bend	trans	-85	-2.3	-173.7	-48.8	-19.9	0	0	0	112.1	C598 Y599 G600 R602	C598-D605 CarbonylContact C-O 3.42Å; C598-D605 VanDerWaalsContact CA-O 3.3Å; C598-D605 WeakPolarHBondContact CA-O 3.32Å; C598-D605 WeakPolarHBondContact CB-O 3.46Å; Y599-D605 WeakPolarHBondContact CD2-O 3.34Å; Y599-D605 PolarHBondContact N-O 2.69Å; G600-D605 VanDerWaalsContact C-OD2 3.26Å; G600-D605 WeakPolarHBondContact CA-OD2 3.47Å; G600-D605 WeakPolarHBondContact O-CB 3.5Å; R602-D605 VanDerWaalsContact CB-OD2 3.23Å; R602-D605 WeakPolarHBondContact CB-OD2 3.41Å; R602-D605 WeakPolarHBondContact CG-OD2 3.4Å; R602-D605 PolarHBondContact N-OD2 2.98Å; R602-D605 WeakPolarHBondContact O-CB 3.34Å; R602-D605 PolarHBondContact O-N 3.12Å
606	C	80.4	Confident	78.3	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-63.9	134.6	178.7	-60.4	0	0	0	0	112.6	K58 C594 R604 C618	K58-C606 PolarHBondContact NZ-O 3.33Å; C594-C606 WeakPolarHBondContact CA-SG 3.2Å; C594-C606 HydrophobicContact CB-CB 3.71Å; C594-C606 WeakPolarHBondContact CB-SG 3.46Å; C594-C606 PolarHBondContact N-SG 3.42Å; C594-C606 WeakPolarHBondContact SG-CA 3.29Å; C594-C606 WeakPolarHBondContact SG-CB 3.39Å; C594-C606 CovalentContact SG-SG 2.04Å; C594-C606 PolarHBondContact SG-SG 3.22Å; R604-C606 VanDerWaalsContact C-N 3.27Å; R604-C606 PolarHBondContact O-N 2.96Å; C606-C618 VanDerWaalsContact CB-SG 3.51Å
607	N	77.3	Confident	79.5	Confident	38 Å²	38	52.4 Å²	52.4	20%	0.203	24%	0.243	C	C	.	.	S	Bend	trans	-69.7	-36.4	175.5	-163.4	3.1	0	0	0	111.3	K58 S597 Y599	K58-N607 WeakPolarHBondContact CE-O 3.48Å; K58-N607 VanDerWaalsContact NZ-C 3.33Å; K58-N607 PolarHBondContact NZ-O 3.41Å; S597-N607 VanDerWaalsContact O-CB 3.27Å; S597-N607 WeakPolarHBondContact O-CB 3.47Å; S597-N607 PolarHBondContact O-N 2.96Å; S597-N607 VanDerWaalsContact OG-CB 3.31Å; S597-N607 WeakPolarHBondContact OG-CB 3.5Å; S597-N607 PolarHBondContact OG-ND2 2.9Å; Y599-N607 HydrophobicContact CE2-CB 4.23Å; Y599-N607 PolarHBondContact OH-OD1 2.64Å
608	A	76.9	Confident	80.4	Confident	7 Å²	7	51.9 Å²	51.9	6%	0.058	24%	0.239	C	C	.	.	S	Bend	trans	-142.3	147.2	169.3	0	0	0	0	0	110.6	E115 L137 A595	E115-A608 WeakPolarHBondContact OE1-CB 3.41Å; L137-A608 HydrophobicContact CD2-CB 3.64Å; A595-A608 HydrophobicContact CB-CB 4.2Å; A595-A608 PolarHBondContact N-O 3.11Å
609	C	81.3	Confident	80.9	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-85.8	137.5	176.7	-57.2	0	0	0	0	111.4	C618	C609-C618 WeakPolarHBondContact CA-SG 3.16Å; C609-C618 HydrophobicContact CB-CB 3.62Å; C609-C618 WeakPolarHBondContact CB-SG 3.42Å; C609-C618 WeakPolarHBondContact SG-CA 3.26Å; C609-C618 WeakPolarHBondContact SG-CB 3.38Å; C609-C618 CovalentContact SG-SG 2.04Å; C609-C618 PolarHBondContact SG-SG 3.07Å
610	L	75.3	Confident	81.1	Confident	23 Å²	23	46.1 Å²	46.1	12%	0.12	22%	0.221	C	C	.	.	S	Bend	trans	-78.4	-34.9	-179.8	-172.2	64.8	0	0	0	112.1	V203 E593 A595 Y1096	V203-L610 HydrophobicContact CG1-CD1 3.58Å; V203-L610 HydrophobicContact CG2-CD1 4.17Å; E593-L610 WeakPolarHBondContact O-CB 3.31Å; E593-L610 PolarHBondContact O-N 2.96Å; A595-L610 HydrophobicContact CB-CB 4.05Å; A595-L610 HydrophobicContact CB-CD1 4.01Å; L610-Y1096 WeakPolarHBondContact CB-OH 3.03Å; L610-Y1096 HydrophobicContact CD2-CE1 4.27Å; L610-Y1096 HydrophobicContact CD2-CE2 3.7Å; L610-Y1096 VanDerWaalsContact CD2-CZ 3.46Å; L610-Y1096 WeakPolarHBondContact CD2-OH 3.39Å; L610-Y1096 HydrophobicContact CG-CE1 4.13Å; L610-Y1096 HydrophobicContact CG-CE2 4.31Å; L610-Y1096 WeakPolarHBondContact CG-OH 3.43Å
611	R	79.3	Confident	81.9	Confident	48 Å²	48	48.3 Å²	48.3	18%	0.181	23%	0.234	C	C	.	.	S	Bend	trans	-110.9	-92.4	168.9	-92.2	171.4	-59.2	-168.2	-6.8	112.6	E593 T619 D620 M647 I1095 Y1096	E593-R611 VanDerWaalsContact CD-NH2 3.31Å; E593-R611 IonicContact OE1-CZ 2.69Å; E593-R611 IonicContact OE1-NE 3.78Å; E593-R611 IonicContact OE1-NH2 2.82Å; E593-R611 PolarHBondContact OE1-NH2 3.3Å; E593-R611 IonicContact OE2-CZ 2.72Å; E593-R611 IonicContact OE2-NE 2.69Å; E593-R611 PolarHBondContact OE2-NE 3.3Å; E593-R611 IonicContact OE2-NH2 3.16Å; E593-R611 PolarHBondContact OE2-NH2 2.82Å; R611-T619 VanDerWaalsContact CB-O 3.32Å; R611-T619 WeakPolarHBondContact CB-O 3.27Å; R611-D620 WeakPolarHBondContact CD-O 3.3Å; R611-D620 VanDerWaalsContact NE-CA 3.34Å; R611-M647 WeakPolarHBondContact O-CE 3.19Å; R611-I1095 PolarHBondContact NH1-O 2.94Å; R611-I1095 PolarHBondContact NH2-O 3.05Å; R611-I1095 VanDerWaalsContact NH2-O 3.14Å; R611-Y1096 HydrophobicContact CG-CD1 4.36Å; R611-Y1096 HydrophobicContact CG-CE1 3.46Å; R611-Y1096 VanDerWaalsContact CG-CE1 3.46Å; R611-Y1096 VanDerWaalsContact CG-OH 3.26Å; R611-Y1096 WeakPolarHBondContact CG-OH 3.2Å; R611-Y1096 VanDerWaalsContact CZ-CD2 3.4Å; R611-Y1096 VanDerWaalsContact CZ-CZ 3.43Å; R611-Y1096 PolarHBondContact N-OH 3.36Å; R611-Y1096 VanDerWaalsContact NE-CE1 3.28Å; R611-Y1096 VanDerWaalsContact NE-CE2 3.35Å; R611-Y1096 PolarHBondContact NE-OH 3.44Å
612	L	84.4	Confident	82.6	Confident	18 Å²	18	44.5 Å²	44.5	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	156	-167	-65.7	165.2	0	0	0	110.9	C618 T619 T644	L612-C618 CarbonylContact O-C 3.46Å; L612-C618 VanDerWaalsContact O-CA 3.29Å; L612-C618 WeakPolarHBondContact O-CA 3.49Å; L612-T619 PolarHBondContact N-O 3.44Å; L612-T619 PolarHBondContact O-N 2.82Å; L612-T644 HydrophobicContact CD1-CG2 3.82Å; L612-T644 HydrophobicContact CD2-CG2 4.44Å
613	S	86.4	Confident	83.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	112.5	165	179.4	0	0	0	0	110.8	N56 K58 G616 V617 M647 I648 C649	N56-S613 PolarHBondContact ND2-O 2.89Å; N56-S613 PolarHBondContact ND2-OG 3.28Å; N56-S613 PolarHBondContact OD1-OG 3.36Å; K58-S613 WeakPolarHBondContact CB-OG 3.45Å; S613-G616 PolarHBondContact OG-N 2.88Å; S613-V617 WeakPolarHBondContact CA-O 3.35Å; S613-M647 PolarHBondContact N-O 3.41Å; S613-I648 WeakPolarHBondContact O-CA 3.28Å; S613-C649 PolarHBondContact O-N 3.07Å
614	N	89.1	Confident	83.2	Confident	32 Å²	32	39.6 Å²	39.6	17%	0.171	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	101.8	166.3	-172.2	-0.5	0	0	0	108.9	G616 V617 T619 L642 C649	N614-G616 VanDerWaalsContact C-N 3.33Å; N614-G616 PolarHBondContact O-N 3.32Å; N614-V617 PolarHBondContact N-O 3.05Å; N614-V617 WeakPolarHBondContact O-CB 3.08Å; N614-V617 PolarHBondContact O-N 3.31Å; N614-T619 HydrophobicContact CB-CG2 3.89Å; N614-L642 WeakPolarHBondContact OD1-CD1 3.03Å; N614-C649 HydrophobicContact CB-CB 4.2Å
615	R	85.7	Confident	82.9	Confident	168 Å²	168	32.9 Å²	32.9	63%	0.634	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	47	178.1	-57.9	178.6	-177	164.3	4.4	114	R604 V617	R604-R615 PolarHBondContact NH2-O 3.39Å; R615-V617 VanDerWaalsContact C-N 3.29Å; R615-V617 PolarHBondContact O-N 3.05Å
616	G	81	Confident	82.6	Confident	7 Å²	7	36.8 Å²	36.8	7%	0.072	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	5.6	-178.6	0	0	0	0	0	115.5	N56 S613 N614	N56-G616 PolarHBondContact OD1-N 3.14Å; N56-G616 VanDerWaalsContact OD1-N 3.16Å; S613-G616 PolarHBondContact OG-N 2.88Å; N614-G616 VanDerWaalsContact C-N 3.33Å; N614-G616 PolarHBondContact O-N 3.32Å
617	V	88.3	Confident	82.3	Confident	48 Å²	48	43.2 Å²	43.2	29%	0.291	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.9	170.1	-172.3	0	0	0	0	108.1	A603 R604 S613 N614 R615 T619	A603-V617 HydrophobicContact CB-CG1 3.59Å; R604-V617 HydrophobicContact CB-CG2 4.5Å; S613-V617 WeakPolarHBondContact CA-O 3.35Å; N614-V617 PolarHBondContact N-O 3.05Å; N614-V617 WeakPolarHBondContact O-CB 3.08Å; N614-V617 PolarHBondContact O-N 3.31Å; R615-V617 VanDerWaalsContact C-N 3.29Å; R615-V617 PolarHBondContact O-N 3.05Å; V617-T619 HydrophobicContact CG1-CG2 4.36Å; V617-T619 PolarHBondContact O-N 2.82Å
618	C	87	Confident	81.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118	176	-59.5	0	0	0	0	110.5	E593 A603 C606 C609 L612	E593-C618 HydrophobicContact CB-CB 3.83Å; A603-C618 WeakPolarHBondContact O-CB 3.39Å; A603-C618 PolarHBondContact O-N 3.29Å; C606-C618 VanDerWaalsContact CB-SG 3.51Å; C609-C618 WeakPolarHBondContact CA-SG 3.16Å; C609-C618 HydrophobicContact CB-CB 3.62Å; C609-C618 WeakPolarHBondContact CB-SG 3.42Å; C609-C618 WeakPolarHBondContact SG-CA 3.26Å; C609-C618 WeakPolarHBondContact SG-CB 3.38Å; C609-C618 CovalentContact SG-SG 2.04Å; C609-C618 PolarHBondContact SG-SG 3.07Å; L612-C618 CarbonylContact O-C 3.46Å; L612-C618 VanDerWaalsContact O-CA 3.29Å; L612-C618 WeakPolarHBondContact O-CA 3.49Å
619	T	86.9	Confident	81.2	Confident	23 Å²	23	46.4 Å²	46.4	14%	0.141	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	164.8	-179.2	64.4	0	0	0	0	111.4	R611 L612 N614 V617 S621	R611-T619 VanDerWaalsContact CB-O 3.32Å; R611-T619 WeakPolarHBondContact CB-O 3.27Å; L612-T619 PolarHBondContact N-O 3.44Å; L612-T619 PolarHBondContact O-N 2.82Å; N614-T619 HydrophobicContact CB-CG2 3.89Å; V617-T619 HydrophobicContact CG1-CG2 4.36Å; V617-T619 PolarHBondContact O-N 2.82Å; T619-S621 WeakPolarHBondContact CB-O 3.39Å; T619-S621 PolarHBondContact OG1-O 3.29Å
620	D	79.7	Confident	80.1	Confident	53 Å²	53	53 Å²	53	28%	0.283	27%	0.265	S	S	.	.	S	Bend	trans	-81.4	-37.2	176.9	59.6	-18.2	0	0	0	113.5	R611 N1094	R611-D620 WeakPolarHBondContact CD-O 3.3Å; R611-D620 VanDerWaalsContact NE-CA 3.34Å; D620-N1094 HydrophobicContact CB-CB 3.65Å; D620-N1094 WeakPolarHBondContact CB-ND2 3.48Å; D620-N1094 VanDerWaalsContact CG-ND2 3.26Å; D620-N1094 PolarHBondContact N-ND2 3.38Å; D620-N1094 VanDerWaalsContact N-ND2 3.19Å; D620-N1094 PolarHBondContact OD1-ND2 3.35Å
621	S	84.6	Confident	79.6	Confident	60 Å²	60	56.8 Å²	56.8	42%	0.42	29%	0.293	S	S	.	.	S	Bend	trans	-138.7	163.6	-170.9	59.4	0	0	0	0	108.2	T619	T619-S621 WeakPolarHBondContact CB-O 3.39Å; T619-S621 PolarHBondContact OG1-O 3.29Å
622	C	86.9	Confident	79.2	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.081	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-90	146.9	159.5	-59.4	0	0	0	0	108.2	A624 L642 T644 C649	C622-A624 PolarHBondContact O-N 3.5Å; C622-A624 VanDerWaalsContact O-N 3.1Å; C622-L642 HydrophobicContact CB-CB 4.1Å; C622-L642 WeakPolarHBondContact CB-O 3.47Å; C622-T644 HydrophobicContact CB-CG2 4.09Å; C622-T644 WeakPolarHBondContact SG-CG2 3.18Å; C622-C649 WeakPolarHBondContact CA-SG 3.18Å; C622-C649 HydrophobicContact CB-CB 3.87Å; C622-C649 WeakPolarHBondContact CB-SG 3.44Å; C622-C649 WeakPolarHBondContact SG-CA 3.33Å; C622-C649 WeakPolarHBondContact SG-CB 3.38Å; C622-C649 CovalentContact SG-SG 2.04Å; C622-C649 PolarHBondContact SG-SG 3.29Å
623	P	87.4	Confident	77.9	Confident	46 Å²	46	60 Å²	60	30%	0.299	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-53.2	119.4	174.1	-26.1	34.1	0	0	0	110.7	D640 G641 L642	P623-D640 WeakPolarHBondContact CB-O 3.38Å; P623-G641 CarbonylContact O-C 3.48Å; P623-G641 VanDerWaalsContact O-CA 3.32Å; P623-G641 WeakPolarHBondContact O-CA 3.28Å; P623-L642 PolarHBondContact O-N 3.26Å
624	A	81.1	Confident	76.6	Confident	46 Å²	46	62.1 Å²	62.1	38%	0.38	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-57.4	147.2	-174.8	0	0	0	0	0	112	C622 K626 N638 D662	C622-A624 PolarHBondContact O-N 3.5Å; C622-A624 VanDerWaalsContact O-N 3.1Å; A624-K626 PolarHBondContact O-N 3.06Å; A624-N638 VanDerWaalsContact O-CB 3.26Å; A624-N638 WeakPolarHBondContact O-CB 3.23Å; A624-N638 PolarHBondContact O-ND2 2.99Å; A624-D662 VanDerWaalsContact CA-OD2 3.27Å; A624-D662 WeakPolarHBondContact CA-OD2 3.23Å; A624-D662 WeakPolarHBondContact CB-OD2 3.35Å
625	S	79.1	Confident	75.3	Confident	20 Å²	20	69 Å²	69	14%	0.14	35%	0.352	C	S	.	.	S	Bend	trans	-71.5	-8.2	-177.3	62.8	0	0	0	0	114.6	N638 R659 D662	S625-N638 PolarHBondContact O-N 3.47Å; S625-R659 PolarHBondContact OG-NH2 2.86Å; S625-D662 WeakPolarHBondContact CB-OD1 3.32Å; S625-D662 PolarHBondContact N-OD1 2.83Å; S625-D662 VanDerWaalsContact N-OD1 3.08Å; S625-D662 PolarHBondContact N-OD2 3.17Å; S625-D662 PolarHBondContact OG-OD1 3.3Å
626	K	77.2	Confident	74.9	Confident	118 Å²	118	63.9 Å²	63.9	51%	0.513	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.1	178.9	-62.3	178.6	-175.4	174.4	0	111.9	A624 W635 V636	A624-K626 PolarHBondContact O-N 3.06Å; K626-W635 HydrophobicContact CB-CE3 4.15Å; K626-V636 CarbonylContact C-O 2.95Å; K626-V636 VanDerWaalsContact CA-O 3.29Å; K626-V636 WeakPolarHBondContact CA-O 3.34Å
627	K	73.2	Confident	74.6	Confident	137 Å²	137	71 Å²	71	60%	0.596	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.2	179.8	-172.7	172.5	-177.3	173.3	0	109.6	V636 N638	K627-V636 PolarHBondContact N-O 3.4Å; K627-V636 WeakPolarHBondContact O-CG2 3.5Å; K627-V636 PolarHBondContact O-N 2.84Å; K627-N638 HydrophobicContact CB-CB 4.41Å
628	Y	61.8	Low	74.2	Confident	61 Å²	61	70.3 Å²	70.3	24%	0.239	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	124.3	177.6	-171	-106.6	0	0	0	111	F633 W635 D1056 R1061	Y628-F633 WeakPolarHBondContact OH-CA 3.48Å; Y628-W635 HydrophobicContact CD2-CD2 4.15Å; Y628-W635 HydrophobicContact CD2-CG 4.34Å; Y628-W635 HydrophobicContact CD2-CZ2 4.45Å; Y628-D1056 PolarHBondContact OH-OD2 2.89Å; Y628-R1061 PolarHBondContact OH-NH2 3.45Å
629	N	70.2	Confident	73.8	Confident	52 Å²	52	75.7 Å²	75.7	28%	0.278	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.9	176.8	-178.1	-6.3	0	0	0	110	S631 T632 F633 S634 V636	N629-S631 PolarHBondContact O-N 2.92Å; N629-S631 PolarHBondContact OD1-N 3.25Å; N629-T632 VanDerWaalsContact CB-OG1 3.31Å; N629-T632 WeakPolarHBondContact CB-OG1 3.49Å; N629-T632 PolarHBondContact ND2-OG1 3.25Å; N629-T632 VanDerWaalsContact ND2-OG1 3.12Å; N629-T632 PolarHBondContact O-N 3.2Å; N629-F633 PolarHBondContact O-N 2.81Å; N629-F633 VanDerWaalsContact O-N 3.13Å; N629-S634 PolarHBondContact N-O 3.24Å; N629-V636 HydrophobicContact CB-CG1 3.93Å; N629-V636 HydrophobicContact CB-CG2 4.15Å
630	K	57.7	Low	73.6	Confident	140 Å²	140	80.6 Å²	80.6	61%	0.609	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.9	-179.3	-63.6	-171.9	177.7	-172.1	0	113.5
631	S	65.4	Low	73.8	Confident	102 Å²	102	78.9 Å²	78.9	71%	0.713	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-25	-176.7	-51.7	0	0	0	0	113.9	N629	N629-S631 PolarHBondContact O-N 2.92Å; N629-S631 PolarHBondContact OD1-N 3.25Å
632	T	69.6	Low	74	Confident	68 Å²	68	76.7 Å²	76.7	42%	0.417	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-0.4	-177.3	57.4	0	0	0	0	113.3	N629 S634	N629-T632 VanDerWaalsContact CB-OG1 3.31Å; N629-T632 WeakPolarHBondContact CB-OG1 3.49Å; N629-T632 PolarHBondContact ND2-OG1 3.25Å; N629-T632 VanDerWaalsContact ND2-OG1 3.12Å; N629-T632 PolarHBondContact O-N 3.2Å; T632-S634 WeakPolarHBondContact CB-OG 3.47Å; T632-S634 PolarHBondContact O-N 2.98Å; T632-S634 PolarHBondContact OG1-OG 3.38Å
633	F	57	Low	74.1	Confident	66 Å²	66	76.8 Å²	76.8	29%	0.289	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.2	-176.7	-53.6	-85.5	0	0	0	113.6	Y628 N629 F1059 R1061	Y628-F633 WeakPolarHBondContact OH-CA 3.48Å; N629-F633 PolarHBondContact O-N 2.81Å; N629-F633 VanDerWaalsContact O-N 3.13Å; F633-F1059 HydrophobicContact CB-CD2 4.12Å; F633-F1059 HydrophobicContact CB-CE2 4.05Å; F633-R1061 PolarHBondContact O-NH2 2.67Å
634	S	59.4	Low	74	Confident	44 Å²	44	75.8 Å²	75.8	31%	0.308	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.1	-171.5	64.9	0	0	0	0	112.8	N629 T632	N629-S634 PolarHBondContact N-O 3.24Å; T632-S634 WeakPolarHBondContact CB-OG 3.47Å; T632-S634 PolarHBondContact O-N 2.98Å; T632-S634 PolarHBondContact OG1-OG 3.38Å
635	W	63.1	Low	74.1	Confident	176 Å²	176	74 Å²	74	67%	0.667	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.5	169.6	-67.4	93	0	0	0	109.6	K626 Y628	K626-W635 HydrophobicContact CB-CE3 4.15Å; Y628-W635 HydrophobicContact CD2-CD2 4.15Å; Y628-W635 HydrophobicContact CD2-CG 4.34Å; Y628-W635 HydrophobicContact CD2-CZ2 4.45Å
636	V	75.4	Confident	73.8	Confident	60 Å²	60	75.7 Å²	75.7	36%	0.364	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	157.9	173.4	-60.2	0	0	0	0	109.8	K626 K627 N629	K626-V636 CarbonylContact C-O 2.95Å; K626-V636 VanDerWaalsContact CA-O 3.29Å; K626-V636 WeakPolarHBondContact CA-O 3.34Å; K627-V636 PolarHBondContact N-O 3.4Å; K627-V636 WeakPolarHBondContact O-CG2 3.5Å; K627-V636 PolarHBondContact O-N 2.84Å; N629-V636 HydrophobicContact CB-CG1 3.93Å; N629-V636 HydrophobicContact CB-CG2 4.15Å
637	E	76	Confident	73.7	Confident	158 Å²	158	70.5 Å²	70.5	74%	0.738	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	145	173.9	-61.9	-163	136.9	0	0	111.3
638	N	80.2	Confident	74.3	Confident	33 Å²	33	64 Å²	64	18%	0.176	35%	0.35	C	S	.	.			trans	-97.1	113.5	175.4	-178.2	23.4	0	0	0	109.4	A624 S625 K627 D640 G641	A624-N638 VanDerWaalsContact O-CB 3.26Å; A624-N638 WeakPolarHBondContact O-CB 3.23Å; A624-N638 PolarHBondContact O-ND2 2.99Å; S625-N638 PolarHBondContact O-N 3.47Å; K627-N638 HydrophobicContact CB-CB 4.41Å; N638-D640 PolarHBondContact O-N 3.09Å; N638-D640 PolarHBondContact OD1-N 3.47Å; N638-G641 PolarHBondContact O-N 3.47Å
639	P	79.1	Confident	75.7	Confident	115 Å²	115	61.8 Å²	61.8	75%	0.747	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.3	-178.7	27.3	-35.2	0	0	0	113.3	G641	P639-G641 VanDerWaalsContact C-N 3.32Å
640	D	82.4	Confident	76.6	Confident	125 Å²	125	59.8 Å²	59.8	67%	0.668	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	6.2	173.8	-64.2	-60.8	0	0	0	113.2	P623 N638	P623-D640 WeakPolarHBondContact CB-O 3.38Å; N638-D640 PolarHBondContact O-N 3.09Å; N638-D640 PolarHBondContact OD1-N 3.47Å
641	G	82	Confident	77.8	Confident	17 Å²	17	61.3 Å²	61.3	18%	0.175	34%	0.339	C	S	.	.			trans	-62.8	137.5	-177.5	0	0	0	0	0	113.4	P623 N638 P639	P623-G641 CarbonylContact O-C 3.48Å; P623-G641 VanDerWaalsContact O-CA 3.32Å; P623-G641 WeakPolarHBondContact O-CA 3.28Å; N638-G641 PolarHBondContact O-N 3.47Å; P639-G641 VanDerWaalsContact C-N 3.32Å
642	L	89.6	Confident	78.7	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	33%	0.326	C	S	.	.			trans	-136.3	143.7	178.3	-60.8	174.2	0	0	0	110.6	N614 C622 P623 C649 V650 K651	N614-L642 WeakPolarHBondContact OD1-CD1 3.03Å; C622-L642 HydrophobicContact CB-CB 4.1Å; C622-L642 WeakPolarHBondContact CB-O 3.47Å; P623-L642 PolarHBondContact O-N 3.26Å; L642-C649 HydrophobicContact CB-CB 3.99Å; L642-C649 HydrophobicContact CD1-CB 3.81Å; L642-V650 CarbonylContact C-O 3.36Å; L642-V650 WeakPolarHBondContact CA-O 3.27Å; L642-K651 HydrophobicContact CD2-CB 4.16Å
643	L	88.4	Confident	79.4	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	147	178.4	-50.5	175.3	0	0	0	110.4	C649 V650 R659 D662	L643-C649 WeakPolarHBondContact O-CA 3.04Å; L643-V650 HydrophobicContact CB-CG2 4.25Å; L643-V650 PolarHBondContact N-O 2.04Å; L643-V650 PolarHBondContact O-N 3.38Å; L643-R659 HydrophobicContact CD1-CG 4.2Å; L643-R659 HydrophobicContact CD2-CG 4.34Å; L643-D662 WeakPolarHBondContact CA-O 3.42Å
644	T	86.9	Confident	80.3	Confident	26 Å²	26	54.3 Å²	54.3	16%	0.16	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.7	171.5	52.4	0	0	0	0	110.7	L612 C622 D662 H663 C664	L612-T644 HydrophobicContact CD1-CG2 3.82Å; L612-T644 HydrophobicContact CD2-CG2 4.44Å; C622-T644 HydrophobicContact CB-CG2 4.09Å; C622-T644 WeakPolarHBondContact SG-CG2 3.18Å; T644-D662 PolarHBondContact N-O 3.25Å; T644-D662 PolarHBondContact OG1-O 2.86Å; T644-H663 WeakPolarHBondContact OG1-CA 3.49Å; T644-H663 PolarHBondContact OG1-CD2 3.41Å; T644-C664 WeakPolarHBondContact O-CB 3.48Å; T644-C664 PolarHBondContact O-N 3.36Å
645	F	81.6	Confident	80.8	Confident	9 Å²	9	61.7 Å²	61.7	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	93	173	175.9	-119.1	0	0	0	109.8	Y53 M647 I648 V650 P654 Y657 C664	Y53-F645 HydrophobicContact CD2-CE1 4.11Å; Y53-F645 AromaticContact CE2-CD1 3.95Å; Y53-F645 HydrophobicContact CE2-CD1 3.95Å; Y53-F645 AromaticContact CE2-CE1 3.59Å; Y53-F645 HydrophobicContact CE2-CE1 3.59Å; Y53-F645 HydrophobicContact CE2-CZ 4.39Å; Y53-F645 PolarHBondContact OH-O 3.45Å; F645-M647 PolarHBondContact O-N 2.9Å; F645-I648 HydrophobicContact CB-CG1 4.44Å; F645-I648 HydrophobicContact CD1-CD1 4.1Å; F645-I648 HydrophobicContact CD1-CG1 4.17Å; F645-I648 PolarHBondContact N-O 3.18Å; F645-I648 VanDerWaalsContact O-CG1 3.26Å; F645-I648 WeakPolarHBondContact O-CG1 3.43Å; F645-I648 PolarHBondContact O-N 3.17Å; F645-V650 HydrophobicContact CB-CB 4.46Å; F645-V650 HydrophobicContact CB-CG1 3.94Å; F645-V650 HydrophobicContact CB-CG2 3.62Å; F645-V650 HydrophobicContact CD1-CG1 4.25Å; F645-P654 HydrophobicContact CD1-CG 4.4Å; F645-P654 HydrophobicContact CD2-CG 4.12Å; F645-P654 HydrophobicContact CE1-CG 3.95Å; F645-P654 HydrophobicContact CE2-CG 3.65Å; F645-P654 HydrophobicContact CG-CG 4.48Å; F645-P654 HydrophobicContact CZ-CG 3.57Å; F645-Y657 HydrophobicContact CD2-CD1 4.38Å; F645-Y657 HydrophobicContact CD2-CE1 4.47Å; F645-Y657 AromaticContact CE2-CD1 3.98Å; F645-Y657 HydrophobicContact CE2-CD1 3.98Å; F645-Y657 HydrophobicContact CE2-CD2 4Å; F645-Y657 AromaticContact CE2-CE1 3.8Å; F645-Y657 HydrophobicContact CE2-CE1 3.8Å; F645-Y657 AromaticContact CE2-CE2 3.82Å; F645-Y657 HydrophobicContact CE2-CE2 3.82Å; F645-Y657 HydrophobicContact CE2-CG 4.09Å; F645-Y657 AromaticContact CE2-CZ 3.73Å; F645-Y657 HydrophobicContact CZ-CE2 4.28Å; F645-C664 HydrophobicContact CB-CB 4.16Å; F645-C664 HydrophobicContact CD2-CB 3.87Å; F645-C664 HydrophobicContact CG-CB 4.47Å
646	G	72.9	Confident	80.9	Confident	54 Å²	54	56.7 Å²	56.7	56%	0.557	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-101.8	-173.5	0	0	0	0	0	111.6
647	M	76.5	Confident	81	Confident	10 Å²	10	56.2 Å²	56.2	5%	0.049	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	10.7	-175.1	-56.5	-140.1	70.4	0	0	114.6	Y53 K139 R611 S613 F645	Y53-M647 HydrophobicContact CE1-CB 4.23Å; Y53-M647 PolarHBondContact OH-N 3.06Å; Y53-M647 VanDerWaalsContact OH-N 3.14Å; K139-M647 HydrophobicContact CD-CE 3.69Å; K139-M647 HydrophobicContact CD-SD 3.39Å; K139-M647 WeakPolarHBondContact CD-SD 3.39Å; K139-M647 PolarHBondContact NZ-SD 3.25Å; R611-M647 WeakPolarHBondContact O-CE 3.19Å; S613-M647 PolarHBondContact N-O 3.41Å; F645-M647 PolarHBondContact O-N 2.9Å
648	I	85.9	Confident	81.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.6	-176.7	58.5	171.1	0	0	0	112.2	Y52 Y53 N56 Y59 S613 F645 V650	Y52-I648 WeakPolarHBondContact O-CD1 3.49Å; Y53-I648 HydrophobicContact CD1-CD1 4.24Å; Y53-I648 HydrophobicContact CD1-CG2 3.98Å; Y53-I648 HydrophobicContact CD2-CD1 3.97Å; Y53-I648 HydrophobicContact CE1-CD1 4.44Å; Y53-I648 HydrophobicContact CE1-CG1 4.29Å; Y53-I648 HydrophobicContact CE1-CG2 4.02Å; Y53-I648 HydrophobicContact CE2-CD1 4.16Å; Y53-I648 HydrophobicContact CE2-CG1 4.39Å; Y53-I648 HydrophobicContact CG-CD1 3.99Å; N56-I648 HydrophobicContact CB-CG2 4.21Å; N56-I648 WeakPolarHBondContact ND2-CG2 3.49Å; Y59-I648 HydrophobicContact CD2-CG2 4.16Å; Y59-I648 HydrophobicContact CE2-CG2 3.64Å; S613-I648 WeakPolarHBondContact O-CA 3.28Å; F645-I648 HydrophobicContact CB-CG1 4.44Å; F645-I648 HydrophobicContact CD1-CD1 4.1Å; F645-I648 HydrophobicContact CD1-CG1 4.17Å; F645-I648 PolarHBondContact N-O 3.18Å; F645-I648 VanDerWaalsContact O-CG1 3.26Å; F645-I648 WeakPolarHBondContact O-CG1 3.43Å; F645-I648 PolarHBondContact O-N 3.17Å; I648-V650 HydrophobicContact CD1-CG1 3.77Å; I648-V650 HydrophobicContact CG1-CG1 3.97Å
649	C	90	Very high	81.6	Confident	13 Å²	13	51.5 Å²	51.5	9%	0.088	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	168.8	-60	0	0	0	0	110.8	S613 N614 C622 L642 L643	S613-C649 PolarHBondContact O-N 3.07Å; N614-C649 HydrophobicContact CB-CB 4.2Å; C622-C649 WeakPolarHBondContact CA-SG 3.18Å; C622-C649 HydrophobicContact CB-CB 3.87Å; C622-C649 WeakPolarHBondContact CB-SG 3.44Å; C622-C649 WeakPolarHBondContact SG-CA 3.33Å; C622-C649 WeakPolarHBondContact SG-CB 3.38Å; C622-C649 CovalentContact SG-SG 2.04Å; C622-C649 PolarHBondContact SG-SG 3.29Å; L642-C649 HydrophobicContact CB-CB 3.99Å; L642-C649 HydrophobicContact CD1-CB 3.81Å; L643-C649 WeakPolarHBondContact O-CA 3.04Å
650	V	88.6	Confident	81.7	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.7	-178.6	-60.9	0	0	0	0	111	Y52 L642 L643 F645 I648 S652	Y52-V650 HydrophobicContact CD1-CB 4.17Å; Y52-V650 HydrophobicContact CD1-CG1 3.74Å; Y52-V650 HydrophobicContact CE1-CB 4.45Å; Y52-V650 HydrophobicContact CE1-CG1 4.48Å; Y52-V650 HydrophobicContact CG-CG1 4.48Å; L642-V650 CarbonylContact C-O 3.36Å; L642-V650 WeakPolarHBondContact CA-O 3.27Å; L643-V650 HydrophobicContact CB-CG2 4.25Å; L643-V650 PolarHBondContact N-O 2.04Å; L643-V650 PolarHBondContact O-N 3.38Å; F645-V650 HydrophobicContact CB-CB 4.46Å; F645-V650 HydrophobicContact CB-CG1 3.94Å; F645-V650 HydrophobicContact CB-CG2 3.62Å; F645-V650 HydrophobicContact CD1-CG1 4.25Å; I648-V650 HydrophobicContact CD1-CG1 3.77Å; I648-V650 HydrophobicContact CG1-CG1 3.97Å; V650-S652 WeakPolarHBondContact CG2-O 3.24Å
651	K	84.6	Confident	81.6	Confident	173 Å²	173	45.1 Å²	45.1	75%	0.752	24%	0.243	S	C	*	.	S	Bend	trans	-78.1	-23.1	178.4	-168.1	171.6	-178.2	177.8	0	113.3	L642	L642-K651 HydrophobicContact CD2-CB 4.16Å
652	S	84.5	Confident	81.7	Confident	63 Å²	63	46.2 Å²	46.2	44%	0.441	24%	0.244	S	C	.	.	S	Bend	trans	-153.1	149.2	-179.2	53.6	0	0	0	0	109.7	Y52 V650	Y52-S652 WeakPolarHBondContact CE1-O 3.02Å; V650-S652 WeakPolarHBondContact CG2-O 3.24Å
653	C	82.7	Confident	81.4	Confident	24 Å²	24	50.1 Å²	50.1	16%	0.162	26%	0.262	C	S	.	.			trans	-69.5	150.2	174.7	-57.8	0	0	0	0	111.6	C664	C653-C664 WeakPolarHBondContact CA-SG 3.37Å; C653-C664 HydrophobicContact CB-CB 3.79Å; C653-C664 WeakPolarHBondContact CB-SG 3.43Å; C653-C664 WeakPolarHBondContact SG-CA 3.37Å; C653-C664 WeakPolarHBondContact SG-CB 3.48Å; C653-C664 CovalentContact SG-SG 2.04Å; C653-C664 PolarHBondContact SG-SG 2.62Å
654	P	77.5	Confident	81.3	Confident	2 Å²	2	50 Å²	50	1%	0.013	26%	0.263	C	S	.	.			trans	-59.6	152.6	169.3	-16.9	26.9	0	0	0	111.6	Y52 F645 T656 Y657	Y52-P654 HydrophobicContact CD2-CB 4.23Å; Y52-P654 HydrophobicContact CD2-CG 3.8Å; Y52-P654 HydrophobicContact CE2-CB 3.7Å; Y52-P654 HydrophobicContact CE2-CG 3.65Å; Y52-P654 HydrophobicContact CG-CG 4.47Å; F645-P654 HydrophobicContact CD1-CG 4.4Å; F645-P654 HydrophobicContact CD2-CG 4.12Å; F645-P654 HydrophobicContact CE1-CG 3.95Å; F645-P654 HydrophobicContact CE2-CG 3.65Å; F645-P654 HydrophobicContact CG-CG 4.48Å; F645-P654 HydrophobicContact CZ-CG 3.57Å; P654-T656 PolarHBondContact O-N 2.83Å; P654-Y657 HydrophobicContact CB-CD2 4.07Å; P654-Y657 HydrophobicContact CG-CD2 4.06Å; P654-Y657 PolarHBondContact O-N 3.19Å
655	K	69.6	Low	80.8	Confident	198 Å²	198	50.2 Å²	50.2	86%	0.861	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-17.8	-175.3	-64.7	-179.5	179.5	172.7	0	115.6
656	T	65.4	Low	80.1	Confident	72 Å²	72	54 Å²	54	44%	0.442	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.3	178.6	48.6	0	0	0	0	113.7	P654	P654-T656 PolarHBondContact O-N 2.83Å
657	Y	76.2	Confident	80.1	Confident	49 Å²	49	58.9 Å²	58.9	19%	0.192	30%	0.297	C	S	.	.	S	Bend	trans	-116.5	153.4	179.8	-75.4	-105.8	0	0	0	110.5	E49 K66 F645 P654	E49-Y657 HydrophobicContact CG-CE2 4.43Å; E49-Y657 WeakPolarHBondContact OE1-CE2 3.31Å; K66-Y657 PolarHBondContact NZ-OH 2.62Å; K66-Y657 VanDerWaalsContact NZ-OH 3.14Å; F645-Y657 HydrophobicContact CD2-CD1 4.38Å; F645-Y657 HydrophobicContact CD2-CE1 4.47Å; F645-Y657 AromaticContact CE2-CD1 3.98Å; F645-Y657 HydrophobicContact CE2-CD1 3.98Å; F645-Y657 HydrophobicContact CE2-CD2 4Å; F645-Y657 AromaticContact CE2-CE1 3.8Å; F645-Y657 HydrophobicContact CE2-CE1 3.8Å; F645-Y657 AromaticContact CE2-CE2 3.82Å; F645-Y657 HydrophobicContact CE2-CE2 3.82Å; F645-Y657 HydrophobicContact CE2-CG 4.09Å; F645-Y657 AromaticContact CE2-CZ 3.73Å; F645-Y657 HydrophobicContact CZ-CE2 4.28Å; P654-Y657 HydrophobicContact CB-CD2 4.07Å; P654-Y657 HydrophobicContact CG-CD2 4.06Å; P654-Y657 PolarHBondContact O-N 3.19Å
658	L	82.4	Confident	79.8	Confident	25 Å²	25	59.6 Å²	59.6	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.4	178	-58	152	0	0	0	109.5	C664 V665 T675 G678	L658-C664 CarbonylContact O-C 3.54Å; L658-C664 WeakPolarHBondContact O-CA 3.46Å; L658-V665 HydrophobicContact CB-CG2 4.11Å; L658-V665 PolarHBondContact N-O 3.36Å; L658-V665 PolarHBondContact O-N 2.92Å; L658-T675 HydrophobicContact CD1-CG2 3.5Å; L658-T675 HydrophobicContact CD2-CG2 3.74Å; L658-T675 HydrophobicContact CG-CG2 4.26Å; L658-G678 CarbonylContact C-O 3.29Å; L658-G678 VanDerWaalsContact CA-O 3.25Å; L658-G678 WeakPolarHBondContact CA-O 3.3Å
659	R	86.1	Confident	78.6	Confident	68 Å²	68	63.3 Å²	63.3	26%	0.257	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.2	168	-173.3	-163.5	-175.8	177	2.5	110.6	S625 L643 D661 H663 G678 E679 C680	S625-R659 PolarHBondContact OG-NH2 2.86Å; L643-R659 HydrophobicContact CD1-CG 4.2Å; L643-R659 HydrophobicContact CD2-CG 4.34Å; R659-D661 VanDerWaalsContact CG-O 3.26Å; R659-D661 WeakPolarHBondContact CG-O 3.02Å; R659-D661 PolarHBondContact NE-O 3.1Å; R659-H663 CarbonylContact C-O 3.49Å; R659-H663 WeakPolarHBondContact CA-O 3.46Å; R659-G678 PolarHBondContact N-O 3Å; R659-E679 HydrophobicContact CB-CB 4.45Å; R659-E679 HydrophobicContact CB-CG 4.13Å; R659-E679 WeakPolarHBondContact CD-OE1 3.29Å; R659-E679 IonicContact CZ-OE1 2.65Å; R659-E679 IonicContact NE-OE1 3.71Å; R659-E679 IonicContact NH1-OE1 3.64Å; R659-E679 PolarHBondContact NH1-OE1 3.08Å; R659-E679 CarbonylContact O-C 3.6Å; R659-E679 WeakPolarHBondContact O-CA 3.43Å; R659-C680 PolarHBondContact O-N 2.96Å
660	D	81.5	Confident	77.5	Confident	11 Å²	11	66 Å²	66	6%	0.059	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	88.8	172.4	-151.5	4.6	0	0	0	107.2	D662 H663 V665 A669 R670 C680	D660-D662 PolarHBondContact O-N 2.89Å; D660-D662 VanDerWaalsContact O-N 3.16Å; D660-H663 PolarHBondContact N-O 2.85Å; D660-H663 WeakPolarHBondContact O-CB 3.27Å; D660-H663 PolarHBondContact O-N 2.74Å; D660-H663 PolarHBondContact O-ND1 2.92Å; D660-V665 HydrophobicContact CB-CG1 4.08Å; D660-V665 HydrophobicContact CB-CG2 3.71Å; D660-A669 PolarHBondContact OD2-N 3.35Å; D660-R670 IonicContact OD1-CZ 2.63Å; D660-R670 IonicContact OD1-NE 2.71Å; D660-R670 PolarHBondContact OD1-NE 2.9Å; D660-R670 IonicContact OD1-NH2 3.59Å; D660-R670 PolarHBondContact OD1-NH2 3.46Å; D660-C680 HydrophobicContact CB-CB 4.16Å; D660-C680 WeakPolarHBondContact OD1-CB 3.15Å
661	D	81.3	Confident	76	Confident	95 Å²	95	71.5 Å²	71.5	51%	0.508	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-104.8	-165.4	-57.9	-15.8	0	0	0	113.7	R659 R670	R659-D661 VanDerWaalsContact CG-O 3.26Å; R659-D661 WeakPolarHBondContact CG-O 3.02Å; R659-D661 PolarHBondContact NE-O 3.1Å; D661-R670 IonicContact OD1-CZ 3.43Å; D661-R670 IonicContact OD1-NH1 3.29Å; D661-R670 PolarHBondContact OD1-NH1 3.1Å; D661-R670 IonicContact OD1-NH2 2.71Å; D661-R670 PolarHBondContact OD1-NH2 2.8Å; D661-R670 IonicContact OD2-CZ 3.06Å; D661-R670 IonicContact OD2-NH1 3.61Å; D661-R670 PolarHBondContact OD2-NH1 2.83Å; D661-R670 IonicContact OD2-NH2 3.44Å; D661-R670 PolarHBondContact OD2-NH2 3.35Å
662	D	83.4	Confident	74.9	Confident	39 Å²	39	64.4 Å²	64.4	21%	0.209	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	18.4	178.5	-72.7	-21	0	0	0	112.7	A624 S625 L643 T644 D660	A624-D662 VanDerWaalsContact CA-OD2 3.27Å; A624-D662 WeakPolarHBondContact CA-OD2 3.23Å; A624-D662 WeakPolarHBondContact CB-OD2 3.35Å; S625-D662 WeakPolarHBondContact CB-OD1 3.32Å; S625-D662 PolarHBondContact N-OD1 2.83Å; S625-D662 VanDerWaalsContact N-OD1 3.08Å; S625-D662 PolarHBondContact N-OD2 3.17Å; S625-D662 PolarHBondContact OG-OD1 3.3Å; L643-D662 WeakPolarHBondContact CA-O 3.42Å; T644-D662 PolarHBondContact N-O 3.25Å; T644-D662 PolarHBondContact OG1-O 2.86Å; D660-D662 PolarHBondContact O-N 2.89Å; D660-D662 VanDerWaalsContact O-N 3.16Å
663	H	84.1	Confident	74.5	Confident	96 Å²	96	64.7 Å²	64.7	44%	0.444	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.3	-178.1	-49.7	80.5	0	0	0	112.8	T644 R659 D660 V665	T644-H663 WeakPolarHBondContact OG1-CA 3.49Å; T644-H663 PolarHBondContact OG1-CD2 3.41Å; R659-H663 CarbonylContact C-O 3.49Å; R659-H663 WeakPolarHBondContact CA-O 3.46Å; D660-H663 PolarHBondContact N-O 2.85Å; D660-H663 WeakPolarHBondContact O-CB 3.27Å; D660-H663 PolarHBondContact O-N 2.74Å; D660-H663 PolarHBondContact O-ND1 2.92Å; H663-V665 HydrophobicContact CB-CG1 4.32Å
664	C	85.2	Confident	73.7	Confident	13 Å²	13	65.9 Å²	65.9	9%	0.088	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	108.4	172.6	-63.8	0	0	0	0	110.7	T644 F645 C653 L658	T644-C664 WeakPolarHBondContact O-CB 3.48Å; T644-C664 PolarHBondContact O-N 3.36Å; F645-C664 HydrophobicContact CB-CB 4.16Å; F645-C664 HydrophobicContact CD2-CB 3.87Å; F645-C664 HydrophobicContact CG-CB 4.47Å; C653-C664 WeakPolarHBondContact CA-SG 3.37Å; C653-C664 HydrophobicContact CB-CB 3.79Å; C653-C664 WeakPolarHBondContact CB-SG 3.43Å; C653-C664 WeakPolarHBondContact SG-CA 3.37Å; C653-C664 WeakPolarHBondContact SG-CB 3.48Å; C653-C664 CovalentContact SG-SG 2.04Å; C653-C664 PolarHBondContact SG-SG 2.62Å; L658-C664 CarbonylContact O-C 3.54Å; L658-C664 WeakPolarHBondContact O-CA 3.46Å
665	V	76.8	Confident	73.4	Confident	30 Å²	30	70.1 Å²	70.1	18%	0.182	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	150.2	-172.8	-59	0	0	0	0	111.8	L658 D660 H663 K667	L658-V665 HydrophobicContact CB-CG2 4.11Å; L658-V665 PolarHBondContact N-O 3.36Å; L658-V665 PolarHBondContact O-N 2.92Å; D660-V665 HydrophobicContact CB-CG1 4.08Å; D660-V665 HydrophobicContact CB-CG2 3.71Å; H663-V665 HydrophobicContact CB-CG1 4.32Å; V665-K667 VanDerWaalsContact C-N 3.31Å; V665-K667 WeakPolarHBondContact CB-O 3.35Å; V665-K667 WeakPolarHBondContact CG2-O 3.49Å
666	S	67.6	Low	73.4	Confident	89 Å²	89	66.3 Å²	66.3	62%	0.622	36%	0.357	S	S	*	.	S	Bend	trans	-81.4	-10.9	178	61.9	0	0	0	0	113.9
667	K	72.3	Confident	74	Confident	156 Å²	156	71.2 Å²	71.2	68%	0.678	38%	0.375	S	S	*	.	S	Bend	trans	-159.6	149.3	173.8	60.6	179.1	-176.7	174.8	0	107.8	V665 A669	V665-K667 VanDerWaalsContact C-N 3.31Å; V665-K667 WeakPolarHBondContact CB-O 3.35Å; V665-K667 WeakPolarHBondContact CG2-O 3.49Å; K667-A669 PolarHBondContact O-N 3.16Å
668	C	69.8	Low	73.8	Confident	25 Å²	25	70.6 Å²	70.6	17%	0.169	38%	0.383	C	S	.	.			trans	-59.9	127.4	175.6	-53.5	0	0	0	0	110.1	C680	C668-C680 WeakPolarHBondContact CA-SG 3.36Å; C668-C680 HydrophobicContact CB-CB 3.82Å; C668-C680 WeakPolarHBondContact CB-SG 3.48Å; C668-C680 VanDerWaalsContact SG-CA 3.52Å; C668-C680 WeakPolarHBondContact SG-CB 3.4Å; C668-C680 CovalentContact SG-SG 2.04Å; C668-C680 PolarHBondContact SG-SG 3.11Å
669	A	61.4	Low	73.7	Confident	79 Å²	79	73.4 Å²	73.4	65%	0.653	40%	0.396	S	S	*	.			trans	-92.2	-22.9	-174.9	0	0	0	0	0	112.5	D660 K667	D660-A669 PolarHBondContact OD2-N 3.35Å; K667-A669 PolarHBondContact O-N 3.16Å
670	R	65.9	Low	73.4	Confident	68 Å²	68	70.6 Å²	70.6	26%	0.257	39%	0.386	S	S	.	.	S	Bend	trans	-77	125	179.5	-64.7	-172.2	-84.5	-168.8	-2.3	111	D660 D661 Y673	D660-R670 IonicContact OD1-CZ 2.63Å; D660-R670 IonicContact OD1-NE 2.71Å; D660-R670 PolarHBondContact OD1-NE 2.9Å; D660-R670 IonicContact OD1-NH2 3.59Å; D660-R670 PolarHBondContact OD1-NH2 3.46Å; D661-R670 IonicContact OD1-CZ 3.43Å; D661-R670 IonicContact OD1-NH1 3.29Å; D661-R670 PolarHBondContact OD1-NH1 3.1Å; D661-R670 IonicContact OD1-NH2 2.71Å; D661-R670 PolarHBondContact OD1-NH2 2.8Å; D661-R670 IonicContact OD2-CZ 3.06Å; D661-R670 IonicContact OD2-NH1 3.61Å; D661-R670 PolarHBondContact OD2-NH1 2.83Å; D661-R670 IonicContact OD2-NH2 3.44Å; D661-R670 PolarHBondContact OD2-NH2 3.35Å; R670-Y673 HydrophobicContact CB-CD1 4.5Å; R670-Y673 HydrophobicContact CB-CD2 3.37Å; R670-Y673 HydrophobicContact CB-CE2 3.72Å; R670-Y673 HydrophobicContact CB-CG 3.82Å; R670-Y673 HydrophobicContact CG-CD2 4.44Å; R670-Y673 HydrophobicContact CG-CE2 4.41Å; R670-Y673 PolarHBondContact NH1-OH 3.46Å; R670-Y673 PolarHBondContact O-N 3.25Å
671	P	56.8	Low	73.3	Confident	127 Å²	127	72.5 Å²	72.5	83%	0.825	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	141.8	168.6	-22.8	34.1	0	0	0	110.8
672	G	63	Low	72.8	Confident	24 Å²	24	71.8 Å²	71.8	25%	0.247	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	15.6	-176.7	0	0	0	0	0	114.9	C683 S686 C688	G672-C683 VanDerWaalsContact C-SG 3.58Å; G672-C683 WeakPolarHBondContact O-CB 3.42Å; G672-C683 PolarHBondContact O-N 2.77Å; G672-C683 PolarHBondContact O-SG 3.32Å; G672-S686 WeakPolarHBondContact CA-O 3.27Å; G672-C688 VanDerWaalsContact CA-SG 3.56Å
673	Y	75.6	Confident	71.9	Confident	68 Å²	68	70.1 Å²	70.1	27%	0.267	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.7	173.3	-75.1	-117.6	0	0	0	111.9	R670 C680 I681 P682	R670-Y673 HydrophobicContact CB-CD1 4.5Å; R670-Y673 HydrophobicContact CB-CD2 3.37Å; R670-Y673 HydrophobicContact CB-CE2 3.72Å; R670-Y673 HydrophobicContact CB-CG 3.82Å; R670-Y673 HydrophobicContact CG-CD2 4.44Å; R670-Y673 HydrophobicContact CG-CE2 4.41Å; R670-Y673 PolarHBondContact NH1-OH 3.46Å; R670-Y673 PolarHBondContact O-N 3.25Å; Y673-C680 HydrophobicContact CD1-CB 4.43Å; Y673-I681 CarbonylContact C-O 3.58Å; Y673-I681 VanDerWaalsContact CA-O 3.23Å; Y673-I681 WeakPolarHBondContact CA-O 3.41Å; Y673-I681 WeakPolarHBondContact CB-O 3.44Å; Y673-I681 VanDerWaalsContact CD1-C 3.42Å; Y673-P682 HydrophobicContact CD1-CG 4.37Å; Y673-P682 HydrophobicContact CE1-CG 3.81Å
674	M	65.1	Low	70.6	Confident	49 Å²	49	70.6 Å²	70.6	24%	0.241	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.8	177.3	63.5	-180	-168.8	0	0	112.3	I681 C683 P684	M674-I681 HydrophobicContact CE-CD1 3.81Å; M674-I681 HydrophobicContact CE-CG1 4.15Å; M674-I681 HydrophobicContact CG-CG1 4.1Å; M674-I681 PolarHBondContact N-O 2.97Å; M674-I681 PolarHBondContact O-N 3.37Å; M674-C683 VanDerWaalsContact CB-SG 3.52Å; M674-C683 PolarHBondContact N-SG 3.43Å; M674-C683 VanDerWaalsContact N-SG 3.38Å; M674-P684 HydrophobicContact CE-CG 4.31Å
675	T	71.3	Confident	69.2	Low	91 Å²	91	75.4 Å²	75.4	56%	0.558	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	119.5	176.7	59.3	0	0	0	0	110.9	L658	L658-T675 HydrophobicContact CD1-CG2 3.5Å; L658-T675 HydrophobicContact CD2-CG2 3.74Å; L658-T675 HydrophobicContact CG-CG2 4.26Å
676	Y	70.8	Confident	68.1	Low	119 Å²	119	78.7 Å²	78.7	47%	0.467	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	121.9	175.1	-174.5	-97	0	0	0	110.5	G678 E679 I681	Y676-G678 PolarHBondContact O-N 3Å; Y676-E679 PolarHBondContact N-O 3.42Å; Y676-E679 PolarHBondContact O-N 2.86Å; Y676-I681 VanDerWaalsContact CB-CD1 3.44Å; Y676-I681 HydrophobicContact CD1-CD1 4.02Å; Y676-I681 HydrophobicContact CD2-CD1 4.35Å; Y676-I681 HydrophobicContact CG-CD1 3.69Å; Y676-I681 HydrophobicContact CG-CG1 4.47Å
677	Q	76.8	Confident	67.4	Low	174 Å²	174	77.9 Å²	77.9	81%	0.813	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	18.4	177.5	-64.5	-175.5	-21.9	0	0	116.7
678	G	72.1	Confident	66.9	Low	36 Å²	36	72.6 Å²	72.6	37%	0.371	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	0.5	-176.7	0	0	0	0	0	114.4	L658 R659 Y676	L658-G678 CarbonylContact C-O 3.29Å; L658-G678 VanDerWaalsContact CA-O 3.25Å; L658-G678 WeakPolarHBondContact CA-O 3.3Å; R659-G678 PolarHBondContact N-O 3Å; Y676-G678 PolarHBondContact O-N 3Å
679	E	80.6	Confident	66.5	Low	84 Å²	84	75.2 Å²	75.2	39%	0.393	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	160.5	174.2	-52.3	-160.5	136.7	0	0	111	R659 Y676	R659-E679 HydrophobicContact CB-CB 4.45Å; R659-E679 HydrophobicContact CB-CG 4.13Å; R659-E679 WeakPolarHBondContact CD-OE1 3.29Å; R659-E679 IonicContact CZ-OE1 2.65Å; R659-E679 IonicContact NE-OE1 3.71Å; R659-E679 IonicContact NH1-OE1 3.64Å; R659-E679 PolarHBondContact NH1-OE1 3.08Å; R659-E679 CarbonylContact O-C 3.6Å; R659-E679 WeakPolarHBondContact O-CA 3.43Å; Y676-E679 PolarHBondContact N-O 3.42Å; Y676-E679 PolarHBondContact O-N 2.86Å
680	C	80	Confident	67.1	Low	9 Å²	9	75.1 Å²	75.1	6%	0.061	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.6	172.6	-73.3	0	0	0	0	109.5	R659 D660 C668 Y673	R659-C680 PolarHBondContact O-N 2.96Å; D660-C680 HydrophobicContact CB-CB 4.16Å; D660-C680 WeakPolarHBondContact OD1-CB 3.15Å; C668-C680 WeakPolarHBondContact CA-SG 3.36Å; C668-C680 HydrophobicContact CB-CB 3.82Å; C668-C680 WeakPolarHBondContact CB-SG 3.48Å; C668-C680 VanDerWaalsContact SG-CA 3.52Å; C668-C680 WeakPolarHBondContact SG-CB 3.4Å; C668-C680 CovalentContact SG-SG 2.04Å; C668-C680 PolarHBondContact SG-SG 3.11Å; Y673-C680 HydrophobicContact CD1-CB 4.43Å
681	I	78.5	Confident	67.6	Low	51 Å²	51	77 Å²	77	26%	0.262	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	151.5	-179.7	68.2	169.4	0	0	0	111.2	Y673 M674 Y676 C683	Y673-I681 CarbonylContact C-O 3.58Å; Y673-I681 VanDerWaalsContact CA-O 3.23Å; Y673-I681 WeakPolarHBondContact CA-O 3.41Å; Y673-I681 WeakPolarHBondContact CB-O 3.44Å; Y673-I681 VanDerWaalsContact CD1-C 3.42Å; M674-I681 HydrophobicContact CE-CD1 3.81Å; M674-I681 HydrophobicContact CE-CG1 4.15Å; M674-I681 HydrophobicContact CG-CG1 4.1Å; M674-I681 PolarHBondContact N-O 2.97Å; M674-I681 PolarHBondContact O-N 3.37Å; Y676-I681 VanDerWaalsContact CB-CD1 3.44Å; Y676-I681 HydrophobicContact CD1-CD1 4.02Å; Y676-I681 HydrophobicContact CD2-CD1 4.35Å; Y676-I681 HydrophobicContact CG-CD1 3.69Å; Y676-I681 HydrophobicContact CG-CG1 4.47Å; I681-C683 PolarHBondContact O-N 3.36Å
682	P	71.7	Confident	68.9	Low	81 Å²	81	71.2 Å²	71.2	53%	0.526	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	138.5	170.5	-23.6	33.7	0	0	0	111.5	Y673	Y673-P682 HydrophobicContact CD1-CG 4.37Å; Y673-P682 HydrophobicContact CE1-CG 3.81Å
683	C	63.8	Low	69.8	Low	4 Å²	4	71.5 Å²	71.5	3%	0.027	39%	0.394	C	S	.	.			trans	-70.6	137.6	174.5	-63.9	0	0	0	0	109.6	G672 M674 I681 N685 S686 I687 C688	G672-C683 VanDerWaalsContact C-SG 3.58Å; G672-C683 WeakPolarHBondContact O-CB 3.42Å; G672-C683 PolarHBondContact O-N 2.77Å; G672-C683 PolarHBondContact O-SG 3.32Å; M674-C683 VanDerWaalsContact CB-SG 3.52Å; M674-C683 PolarHBondContact N-SG 3.43Å; M674-C683 VanDerWaalsContact N-SG 3.38Å; I681-C683 PolarHBondContact O-N 3.36Å; C683-N685 PolarHBondContact O-N 3.44Å; C683-S686 PolarHBondContact O-N 2.9Å; C683-I687 WeakPolarHBondContact CB-O 3.37Å; C683-C688 HydrophobicContact CB-CB 4.01Å; C683-C688 WeakPolarHBondContact CB-SG 3.5Å; C683-C688 WeakPolarHBondContact SG-CA 3.39Å; C683-C688 WeakPolarHBondContact SG-CB 3.34Å; C683-C688 CovalentContact SG-SG 2.03Å; C683-C688 PolarHBondContact SG-SG 3.22Å
684	P	56.9	Low	69.8	Low	105 Å²	105	70.8 Å²	70.8	68%	0.682	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.3	-163.1	-31.4	36.4	0	0	0	116.1	M674	M674-P684 HydrophobicContact CE-CG 4.31Å
685	N	55.8	Low	70.2	Confident	115 Å²	115	75.6 Å²	75.6	62%	0.615	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	28.5	178.4	-67.1	-26.7	0	0	0	112.1	C683 I687	C683-N685 PolarHBondContact O-N 3.44Å; N685-I687 PolarHBondContact O-N 3.42Å
686	S	53.7	Low	70.4	Confident	98 Å²	98	77.8 Å²	77.8	69%	0.685	43%	0.425	S	S	*	.	S	Bend	trans	59.3	-13.7	-166.3	-60.9	0	0	0	0	116.3	G672 C683	G672-S686 WeakPolarHBondContact CA-O 3.27Å; C683-S686 PolarHBondContact O-N 2.9Å
687	I	53.2	Low	70.9	Confident	73 Å²	73	73 Å²	73	37%	0.374	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-87.9	123	171	-57.5	171.7	0	0	0	108.5	C683 N685 T718 K757	C683-I687 WeakPolarHBondContact CB-O 3.37Å; N685-I687 PolarHBondContact O-N 3.42Å; I687-T718 HydrophobicContact CG2-CG2 4.33Å; I687-K757 HydrophobicContact CD1-CD 4.23Å
688	C	61.2	Low	70.9	Confident	44 Å²	44	66 Å²	66	30%	0.297	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-94.5	143.3	176.4	-54.9	0	0	0	0	110.6	G672 C683 K690	G672-C688 VanDerWaalsContact CA-SG 3.56Å; C683-C688 HydrophobicContact CB-CB 4.01Å; C683-C688 WeakPolarHBondContact CB-SG 3.5Å; C683-C688 WeakPolarHBondContact SG-CA 3.39Å; C683-C688 WeakPolarHBondContact SG-CB 3.34Å; C683-C688 CovalentContact SG-SG 2.03Å; C683-C688 PolarHBondContact SG-SG 3.22Å; C688-K690 PolarHBondContact O-N 3.18Å
689	P	63.2	Low	70.7	Confident	81 Å²	81	69.5 Å²	69.5	53%	0.526	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-69	116.8	-172.2	25.7	-33.8	0	0	0	112.7	T718	P689-T718 WeakPolarHBondContact CA-OG1 3.45Å; P689-T718 WeakPolarHBondContact CB-OG1 3.32Å
690	K	72.5	Confident	70.3	Confident	77 Å²	77	67.8 Å²	67.8	34%	0.335	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	116.3	172.2	-175.7	-162.5	174.5	-155.9	0	108.5	C688 C692 A713 E715 N716 C717 T718 V719	C688-K690 PolarHBondContact O-N 3.18Å; K690-C692 WeakPolarHBondContact CE-SG 3.46Å; K690-A713 PolarHBondContact NZ-O 3.27Å; K690-E715 PolarHBondContact NZ-O 3.07Å; K690-N716 WeakPolarHBondContact CB-O 3.26Å; K690-C717 PolarHBondContact NZ-SG 2.86Å; K690-T718 PolarHBondContact N-OG1 3.04Å; K690-T718 VanDerWaalsContact N-OG1 3.15Å; K690-T718 PolarHBondContact O-N 2.89Å; K690-T718 PolarHBondContact O-OG1 2.68Å; K690-V719 PolarHBondContact O-N 3.2Å
691	I	77.6	Confident	69.8	Low	108 Å²	108	77.2 Å²	77.2	55%	0.554	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.1	171.3	-53.4	175.2	0	0	0	108.1	V719	I691-V719 HydrophobicContact CG1-CB 4.21Å; I691-V719 HydrophobicContact CG1-CG2 4.42Å; I691-V719 HydrophobicContact CG2-CB 4.43Å; I691-V719 HydrophobicContact CG2-CG1 4.44Å
692	C	83.4	Confident	69.5	Low	5 Å²	5	77.3 Å²	77.3	3%	0.034	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	122.4	-176.8	-56.2	0	0	0	0	110.6	K690 C717 V719 F720 E721	K690-C692 WeakPolarHBondContact CE-SG 3.46Å; C692-C717 HydrophobicContact CB-CB 3.94Å; C692-C717 WeakPolarHBondContact CB-SG 3.44Å; C692-C717 WeakPolarHBondContact SG-CB 3.04Å; C692-C717 CovalentContact SG-SG 2.02Å; C692-C717 PolarHBondContact SG-SG 3.35Å; C692-V719 PolarHBondContact N-O 3.34Å; C692-F720 HydrophobicContact CB-CD2 4.37Å; C692-F720 WeakPolarHBondContact O-CA 3.19Å; C692-F720 VanDerWaalsContact O-CD2 3.31Å; C692-F720 WeakPolarHBondContact O-CD2 3.47Å; C692-E721 PolarHBondContact O-N 3.04Å
693	T	81.6	Confident	69.9	Low	30 Å²	30	74 Å²	74	18%	0.184	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	156.7	172.4	69.8	0	0	0	0	111	N695 E696 I697 E721	T693-N695 PolarHBondContact O-N 2.82Å; T693-E696 VanDerWaalsContact CB-OE2 3.3Å; T693-E696 WeakPolarHBondContact CB-OE2 3.31Å; T693-E696 WeakPolarHBondContact CG2-OE2 2.79Å; T693-E696 PolarHBondContact N-OE2 3.35Å; T693-E696 PolarHBondContact O-N 2.76Å; T693-E696 VanDerWaalsContact OG1-CD 3.29Å; T693-E696 WeakPolarHBondContact OG1-CG 3.43Å; T693-E696 PolarHBondContact OG1-N 3.22Å; T693-E696 PolarHBondContact OG1-OE2 2.77Å; T693-I697 PolarHBondContact O-N 3.15Å; T693-E721 HydrophobicContact CG2-CB 4.09Å
694	L	77	Confident	70.6	Confident	52 Å²	52	78 Å²	78	27%	0.272	44%	0.438	S	S	.	.	H	α-helix	trans	-57.6	-33.4	172.5	-173.2	62.8	0	0	0	112.3	E696 I697 E698 F720	L694-E696 VanDerWaalsContact C-N 3.28Å; L694-E696 PolarHBondContact O-N 2.64Å; L694-I697 HydrophobicContact CD1-CD1 4.25Å; L694-I697 HydrophobicContact CD1-CG1 4.25Å; L694-I697 PolarHBondContact O-N 3.44Å; L694-E698 HydrophobicContact CD1-CB 3.97Å; L694-E698 HydrophobicContact CG-CB 4.29Å; L694-E698 VanDerWaalsContact O-CB 3.23Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 3.07Å; L694-F720 HydrophobicContact CB-CZ 4.08Å; L694-F720 HydrophobicContact CD1-CZ 4.31Å
695	N	73.3	Confident	72.1	Confident	150 Å²	150	73.5 Å²	73.5	80%	0.802	41%	0.408	S	S	*	.	H	α-helix	trans	-69.9	-18.7	-179.4	-66.9	-39	0	0	0	114.3	T693	T693-N695 PolarHBondContact O-N 2.82Å
696	E	74.5	Confident	73.7	Confident	138 Å²	138	68.1 Å²	68.1	65%	0.645	38%	0.379	S	S	*	.	H	α-helix	trans	-93.6	-30.1	178.7	-70.2	160.5	128	0	0	112.3	T693 L694	T693-E696 VanDerWaalsContact CB-OE2 3.3Å; T693-E696 WeakPolarHBondContact CB-OE2 3.31Å; T693-E696 WeakPolarHBondContact CG2-OE2 2.79Å; T693-E696 PolarHBondContact N-OE2 3.35Å; T693-E696 PolarHBondContact O-N 2.76Å; T693-E696 VanDerWaalsContact OG1-CD 3.29Å; T693-E696 WeakPolarHBondContact OG1-CG 3.43Å; T693-E696 PolarHBondContact OG1-N 3.22Å; T693-E696 PolarHBondContact OG1-OE2 2.77Å; L694-E696 VanDerWaalsContact C-N 3.28Å; L694-E696 PolarHBondContact O-N 2.64Å
697	I	81.6	Confident	75.3	Confident	19 Å²	19	63.6 Å²	63.6	10%	0.097	35%	0.347	C	S	.	.	H	α-helix	trans	-92.2	-26.9	179.5	66.5	167.6	0	0	0	113.2	T693 L694 L706 A713 M714 F720	T693-I697 PolarHBondContact O-N 3.15Å; L694-I697 HydrophobicContact CD1-CD1 4.25Å; L694-I697 HydrophobicContact CD1-CG1 4.25Å; L694-I697 PolarHBondContact O-N 3.44Å; I697-L706 HydrophobicContact CD1-CD2 4.03Å; I697-A713 HydrophobicContact CB-CB 3.78Å; I697-A713 HydrophobicContact CG2-CB 3.85Å; I697-M714 HydrophobicContact CD1-CG 3.5Å; I697-M714 HydrophobicContact CD1-SD 3.59Å; I697-M714 VanDerWaalsContact CD1-SD 3.59Å; I697-M714 HydrophobicContact CG2-CG 4.08Å; I697-F720 HydrophobicContact CD1-CE2 3.67Å; I697-F720 HydrophobicContact CD1-CZ 4.24Å; I697-F720 HydrophobicContact CG1-CE2 4.49Å
698	E	77.4	Confident	77	Confident	26 Å²	26	60.9 Å²	60.9	12%	0.121	33%	0.332	C	S	.	.			trans	-105.8	125.4	-173.7	-166	45.1	-103.5	0	0	112.4	L694 I700 I703 H707 S710	L694-E698 HydrophobicContact CD1-CB 3.97Å; L694-E698 HydrophobicContact CG-CB 4.29Å; L694-E698 VanDerWaalsContact O-CB 3.23Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 3.07Å; E698-I700 PolarHBondContact OE1-N 3.23Å; E698-I703 HydrophobicContact CG-CB 4.33Å; E698-H707 IonicContact OE1-NE2 2.75Å; E698-H707 IonicContact OE2-CD2 3.28Å; E698-H707 IonicContact OE2-NE2 3.44Å; E698-H707 PolarHBondContact OE2-NE2 2.64Å; E698-H707 VanDerWaalsContact OE2-NE2 3.15Å; E698-S710 WeakPolarHBondContact OE2-CB 3.3Å; E698-S710 PolarHBondContact OE2-OG 3.26Å
699	S	67.7	Low	78.1	Confident	109 Å²	109	64.4 Å²	64.4	76%	0.762	34%	0.342	S	S	*	.			trans	-99	-19.8	-178.5	64.9	0	0	0	0	112.8
700	I	71.6	Confident	79.2	Confident	48 Å²	48	60.5 Å²	60.5	25%	0.246	32%	0.317	C	S	.	.	S	Bend	trans	-98.7	97.5	-175.5	-54.2	174	0	0	0	109.5	E698 G702 I703 Y737 L739	E698-I700 PolarHBondContact OE1-N 3.23Å; I700-G702 PolarHBondContact O-N 3.37Å; I700-G702 VanDerWaalsContact O-N 3.1Å; I700-I703 HydrophobicContact CB-CD1 3.68Å; I700-I703 HydrophobicContact CB-CG1 4.13Å; I700-I703 HydrophobicContact CD1-CD1 3.88Å; I700-I703 HydrophobicContact CG1-CD1 4.33Å; I700-I703 HydrophobicContact CG2-CD1 3.82Å; I700-I703 HydrophobicContact CG2-CG1 3.96Å; I700-I703 PolarHBondContact O-N 2.9Å; I700-Y737 HydrophobicContact CG2-CD1 3.61Å; I700-Y737 HydrophobicContact CG2-CE1 4.21Å; I700-Y737 HydrophobicContact CG2-CG 4.3Å; I700-L739 HydrophobicContact CD1-CD2 4.08Å
701	K	69.4	Low	80.1	Confident	208 Å²	208	56.9 Å²	56.9	90%	0.904	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	115.8	176.7	-68.9	-173	177.3	-175.8	0	111.4
702	G	73	Confident	80.5	Confident	52 Å²	52	55.2 Å²	55.2	54%	0.536	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	121.2	-14.5	175.9	0	0	0	0	0	114.5	I700 Y737	I700-G702 PolarHBondContact O-N 3.37Å; I700-G702 VanDerWaalsContact O-N 3.1Å; G702-Y737 WeakPolarHBondContact CA-OH 3.49Å; G702-Y737 PolarHBondContact O-OH 2.98Å
703	I	79.9	Confident	80.6	Confident	11 Å²	11	57 Å²	57	6%	0.056	31%	0.306	C	S	.	.			trans	-71.6	136.4	168.9	-63.6	-176.7	0	0	0	109.4	E698 I700 Y705 Y737 L739	E698-I703 HydrophobicContact CG-CB 4.33Å; I700-I703 HydrophobicContact CB-CD1 3.68Å; I700-I703 HydrophobicContact CB-CG1 4.13Å; I700-I703 HydrophobicContact CD1-CD1 3.88Å; I700-I703 HydrophobicContact CG1-CD1 4.33Å; I700-I703 HydrophobicContact CG2-CD1 3.82Å; I700-I703 HydrophobicContact CG2-CG1 3.96Å; I700-I703 PolarHBondContact O-N 2.9Å; I703-Y705 HydrophobicContact CG2-CD1 4.39Å; I703-Y705 HydrophobicContact CG2-CD2 4.14Å; I703-Y705 HydrophobicContact CG2-CE1 4.36Å; I703-Y705 HydrophobicContact CG2-CE2 4.06Å; I703-Y705 HydrophobicContact CG2-CG 4.28Å; I703-Y705 WeakPolarHBondContact CG2-O 3.42Å; I703-Y737 HydrophobicContact CD1-CD2 4.42Å; I703-Y737 HydrophobicContact CD1-CG 4.18Å; I703-Y737 HydrophobicContact CG1-CD1 4.08Å; I703-Y737 HydrophobicContact CG1-CD2 3.75Å; I703-Y737 HydrophobicContact CG1-CE1 4.31Å; I703-Y737 HydrophobicContact CG1-CE2 3.97Å; I703-Y737 HydrophobicContact CG1-CG 3.8Å; I703-L739 HydrophobicContact CD1-CD1 3.85Å
704	D	78.5	Confident	80.9	Confident	88 Å²	88	55.6 Å²	55.6	47%	0.471	30%	0.298	S	S	.	.			trans	-124.4	7.8	175	78.5	-25.8	0	0	0	113.4	K725	D704-K725 WeakPolarHBondContact O-CB 3.44Å; D704-K725 VanDerWaalsContact O-CD 3.24Å; D704-K725 WeakPolarHBondContact O-CD 3.48Å; D704-K725 IonicContact OD1-NZ 3.22Å; D704-K725 PolarHBondContact OD1-NZ 3.13Å; D704-K725 IonicContact OD2-NZ 3.16Å; D704-K725 PolarHBondContact OD2-NZ 2.78Å
705	Y	87.4	Confident	81.3	Confident	11 Å²	11	58.1 Å²	58.1	4%	0.043	31%	0.308	C	S	.	.	S	Bend	trans	-124.8	152	178.4	55.2	-96.8	0	0	0	111	I703 K725 Q729 D734 L739	I703-Y705 HydrophobicContact CG2-CD1 4.39Å; I703-Y705 HydrophobicContact CG2-CD2 4.14Å; I703-Y705 HydrophobicContact CG2-CE1 4.36Å; I703-Y705 HydrophobicContact CG2-CE2 4.06Å; I703-Y705 HydrophobicContact CG2-CG 4.28Å; I703-Y705 WeakPolarHBondContact CG2-O 3.42Å; Y705-K725 CarbonylContact C-O 3.53Å; Y705-K725 VanDerWaalsContact CA-O 3.28Å; Y705-K725 WeakPolarHBondContact CA-O 3.45Å; Y705-K725 WeakPolarHBondContact CB-O 3.41Å; Y705-Q729 HydrophobicContact CD1-CB 4.28Å; Y705-Q729 HydrophobicContact CD2-CB 4.22Å; Y705-Q729 HydrophobicContact CE1-CB 3.98Å; Y705-Q729 HydrophobicContact CE1-CG 4.29Å; Y705-Q729 HydrophobicContact CE2-CB 3.95Å; Y705-Q729 HydrophobicContact CG-CB 4.41Å; Y705-D734 WeakPolarHBondContact OH-CB 3.38Å; Y705-D734 VanDerWaalsContact OH-CG 3.26Å; Y705-D734 PolarHBondContact OH-OD2 3.13Å; Y705-L739 HydrophobicContact CE2-CD1 4.01Å
706	L	89.5	Confident	81.5	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	29%	0.289	C	S	.	.			trans	-76.4	136	178	-59.3	-179.7	0	0	0	110.7	I697 L711 M714 I724 K725 L726 S730 L755	I697-L706 HydrophobicContact CD1-CD2 4.03Å; L706-L711 HydrophobicContact CB-CD2 4.45Å; L706-L711 HydrophobicContact CB-CG 4.31Å; L706-L711 HydrophobicContact CD1-CD2 3.91Å; L706-M714 HydrophobicContact CD1-CE 4.39Å; L706-M714 HydrophobicContact CD1-SD 3.77Å; L706-M714 HydrophobicContact CD2-SD 3.83Å; L706-M714 HydrophobicContact CG-SD 4.48Å; L706-I724 HydrophobicContact CD1-CG2 3.92Å; L706-K725 PolarHBondContact N-O 2.83Å; L706-L726 HydrophobicContact CB-CD2 4.13Å; L706-S730 VanDerWaalsContact O-CB 3.24Å; L706-S730 WeakPolarHBondContact O-CB 3.5Å; L706-S730 PolarHBondContact O-OG 3.43Å; L706-L755 HydrophobicContact CD1-CD2 4.26Å
707	H	88.8	Confident	82	Confident	3 Å²	3	48.1 Å²	48.1	1%	0.014	26%	0.259	C	S	.	.			trans	-122.7	-179.7	166.5	67	107.2	0	0	0	110.6	E698 K709 S710 L711 L739 E744	E698-H707 IonicContact OE1-NE2 2.75Å; E698-H707 IonicContact OE2-CD2 3.28Å; E698-H707 IonicContact OE2-NE2 3.44Å; E698-H707 PolarHBondContact OE2-NE2 2.64Å; E698-H707 VanDerWaalsContact OE2-NE2 3.15Å; H707-K709 VanDerWaalsContact C-N 3.28Å; H707-K709 PolarHBondContact O-N 2.92Å; H707-S710 PolarHBondContact CD2-OG 3.26Å; H707-S710 PolarHBondContact N-OG 2.83Å; H707-S710 PolarHBondContact NE2-OG 2.97Å; H707-S710 PolarHBondContact O-N 2.81Å; H707-L711 PolarHBondContact O-N 3.13Å; H707-L739 HydrophobicContact CB-CD1 4.25Å; H707-E744 IonicContact CE1-OE2 2.73Å; H707-E744 PolarHBondContact CE1-OE2 3.34Å; H707-E744 IonicContact CG-OE2 3.75Å; H707-E744 IonicContact ND1-OE2 2.62Å; H707-E744 PolarHBondContact ND1-OE2 3.19Å
708	R	87	Confident	82.1	Confident	16 Å²	16	47.7 Å²	47.7	6%	0.06	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-36.7	-169.1	-168.9	168.4	-175.7	-140.4	-8.4	114	H712 D743 E744 D750 E1972 T1975	R708-H712 PolarHBondContact O-N 3.1Å; R708-H712 PolarHBondContact O-ND1 2.95Å; R708-D743 PolarHBondContact NH1-O 2.96Å; R708-E744 VanDerWaalsContact CB-O 3.26Å; R708-E744 WeakPolarHBondContact CB-O 3.4Å; R708-E744 PolarHBondContact N-O 3.4Å; R708-D750 HydrophobicContact CG-CB 4.29Å; R708-D750 WeakPolarHBondContact CG-OD1 3.23Å; R708-D750 IonicContact CZ-OD1 2.87Å; R708-D750 IonicContact NE-OD1 3.45Å; R708-D750 PolarHBondContact NE-OD1 3.47Å; R708-D750 IonicContact NE-OD2 3.47Å; R708-D750 IonicContact NH2-OD1 3.61Å; R708-E1972 IonicContact NH2-OE1 2.71Å; R708-E1972 PolarHBondContact NH2-OE1 2.86Å; R708-T1975 PolarHBondContact NH1-OG1 2.69Å
709	K	84.4	Confident	82.4	Confident	118 Å²	118	48 Å²	48	51%	0.513	26%	0.261	S	S	.	.	H	α-helix	trans	-70.5	-47.8	177.6	-71.7	171.1	179.7	161.5	0	112.7	H707 L711 H712 A713 E744	H707-K709 VanDerWaalsContact C-N 3.28Å; H707-K709 PolarHBondContact O-N 2.92Å; K709-L711 PolarHBondContact O-N 3.21Å; K709-H712 PolarHBondContact O-N 3.32Å; K709-H712 VanDerWaalsContact O-N 3.1Å; K709-A713 PolarHBondContact O-N 2.98Å; K709-E744 WeakPolarHBondContact CD-OE2 3.32Å; K709-E744 WeakPolarHBondContact CE-OE1 3.34Å; K709-E744 IonicContact NZ-OE1 2.77Å; K709-E744 PolarHBondContact NZ-OE1 3Å
710	S	88.1	Confident	83.4	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-40.2	177.1	-11	0	0	0	0	110.6	E698 H707 A713 M714	E698-S710 WeakPolarHBondContact OE2-CB 3.3Å; E698-S710 PolarHBondContact OE2-OG 3.26Å; H707-S710 PolarHBondContact CD2-OG 3.26Å; H707-S710 PolarHBondContact N-OG 2.83Å; H707-S710 PolarHBondContact NE2-OG 2.97Å; H707-S710 PolarHBondContact O-N 2.81Å; S710-A713 PolarHBondContact O-N 3.07Å; S710-M714 VanDerWaalsContact O-CG 3.29Å; S710-M714 WeakPolarHBondContact O-CG 3.32Å; S710-M714 PolarHBondContact O-N 3.05Å
711	L	89.7	Confident	83.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-39.2	174	-75.4	170.6	0	0	0	114.1	L706 H707 K709 M714 V746 D750 L751 G754 L755	L706-L711 HydrophobicContact CB-CD2 4.45Å; L706-L711 HydrophobicContact CB-CG 4.31Å; L706-L711 HydrophobicContact CD1-CD2 3.91Å; H707-L711 PolarHBondContact O-N 3.13Å; K709-L711 PolarHBondContact O-N 3.21Å; L711-M714 WeakPolarHBondContact O-CB 3.33Å; L711-M714 PolarHBondContact O-N 2.98Å; L711-V746 HydrophobicContact CD1-CB 4.26Å; L711-V746 HydrophobicContact CD1-CG1 3.54Å; L711-V746 HydrophobicContact CD1-CG2 3.65Å; L711-D750 HydrophobicContact CD1-CB 4.07Å; L711-L751 HydrophobicContact CD1-CD2 4.07Å; L711-L751 HydrophobicContact CD2-CD2 4.49Å; L711-G754 WeakPolarHBondContact O-CA 3.44Å; L711-L755 HydrophobicContact CD2-CD1 4.01Å; L711-L755 HydrophobicContact CD2-CD2 4.2Å; L711-L755 HydrophobicContact CD2-CG 3.83Å
712	H	87.2	Confident	84.5	Confident	73 Å²	73	36.3 Å²	36.3	34%	0.338	20%	0.199	S	C	.	.	H	α-helix	trans	-69.6	-37	174.9	-76.6	70.4	0	0	0	111.9	R708 K709 M714 E715 D750	R708-H712 PolarHBondContact O-N 3.1Å; R708-H712 PolarHBondContact O-ND1 2.95Å; K709-H712 PolarHBondContact O-N 3.32Å; K709-H712 VanDerWaalsContact O-N 3.1Å; H712-M714 PolarHBondContact O-N 2.98Å; H712-E715 WeakPolarHBondContact O-CB 3.07Å; H712-E715 PolarHBondContact O-N 2.92Å; H712-E715 VanDerWaalsContact O-N 3.1Å; H712-D750 IonicContact CE1-OD1 3.29Å; H712-D750 PolarHBondContact CE1-OD1 2.82Å
713	A	85.5	Confident	85.2	Confident	43 Å²	43	35.6 Å²	35.6	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-64.2	-25.2	171.5	0	0	0	0	0	112.4	K690 I697 K709 S710 E715	K690-A713 PolarHBondContact NZ-O 3.27Å; I697-A713 HydrophobicContact CB-CB 3.78Å; I697-A713 HydrophobicContact CG2-CB 3.85Å; K709-A713 PolarHBondContact O-N 2.98Å; S710-A713 PolarHBondContact O-N 3.07Å; A713-E715 VanDerWaalsContact C-N 3.26Å; A713-E715 PolarHBondContact O-N 3.18Å
714	M	88.4	Confident	85.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.3	172.9	-70	177	72.2	0	0	115.1	I697 L706 S710 L711 H712 N716 C717 F720 I724 G754 L755	I697-M714 HydrophobicContact CD1-CG 3.5Å; I697-M714 HydrophobicContact CD1-SD 3.59Å; I697-M714 VanDerWaalsContact CD1-SD 3.59Å; I697-M714 HydrophobicContact CG2-CG 4.08Å; L706-M714 HydrophobicContact CD1-CE 4.39Å; L706-M714 HydrophobicContact CD1-SD 3.77Å; L706-M714 HydrophobicContact CD2-SD 3.83Å; L706-M714 HydrophobicContact CG-SD 4.48Å; S710-M714 VanDerWaalsContact O-CG 3.29Å; S710-M714 WeakPolarHBondContact O-CG 3.32Å; S710-M714 PolarHBondContact O-N 3.05Å; L711-M714 WeakPolarHBondContact O-CB 3.33Å; L711-M714 PolarHBondContact O-N 2.98Å; H712-M714 PolarHBondContact O-N 2.98Å; M714-N716 PolarHBondContact O-N 2.59Å; M714-C717 VanDerWaalsContact C-SG 3.55Å; M714-C717 WeakPolarHBondContact CA-SG 3.35Å; M714-C717 HydrophobicContact CB-CB 4.5Å; M714-C717 VanDerWaalsContact O-CB 3.24Å; M714-C717 WeakPolarHBondContact O-CB 3.44Å; M714-C717 PolarHBondContact O-N 2.7Å; M714-C717 PolarHBondContact O-SG 3.16Å; M714-F720 HydrophobicContact CE-CB 4.45Å; M714-F720 HydrophobicContact CE-CD2 3.65Å; M714-F720 HydrophobicContact CE-CE2 4.13Å; M714-F720 HydrophobicContact CE-CG 4.12Å; M714-F720 HydrophobicContact SD-CD2 4.32Å; M714-F720 HydrophobicContact SD-CE2 4.22Å; M714-I724 HydrophobicContact CE-CD1 4.12Å; M714-G754 WeakPolarHBondContact CB-O 3.41Å; M714-L755 HydrophobicContact CE-CD2 3.53Å; M714-L755 HydrophobicContact SD-CD2 4.38Å
715	E	83.7	Confident	86.3	Confident	106 Å²	106	33.2 Å²	33.2	50%	0.495	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	129.2	178.6	-163	-158.7	151.1	0	0	111.6	K690 H712 A713 C717 I753	K690-E715 PolarHBondContact NZ-O 3.07Å; H712-E715 WeakPolarHBondContact O-CB 3.07Å; H712-E715 PolarHBondContact O-N 2.92Å; H712-E715 VanDerWaalsContact O-N 3.1Å; A713-E715 VanDerWaalsContact C-N 3.26Å; A713-E715 PolarHBondContact O-N 3.18Å; E715-C717 VanDerWaalsContact C-N 3.27Å; E715-C717 PolarHBondContact O-N 3.37Å; E715-I753 HydrophobicContact CB-CG2 4.25Å; E715-I753 HydrophobicContact CG-CG2 4.08Å
716	N	78.5	Confident	86.5	Confident	76 Å²	76	32.7 Å²	32.7	41%	0.406	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	12.3	-174.8	-55.9	-72.2	0	0	0	116.4	K690 M714 T718	K690-N716 WeakPolarHBondContact CB-O 3.26Å; M714-N716 PolarHBondContact O-N 2.59Å; N716-T718 PolarHBondContact O-N 2.76Å
717	C	85.2	Confident	86.5	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	128	172.6	-66.5	0	0	0	0	111.5	K690 C692 M714 E715 K757 L758	K690-C717 PolarHBondContact NZ-SG 2.86Å; C692-C717 HydrophobicContact CB-CB 3.94Å; C692-C717 WeakPolarHBondContact CB-SG 3.44Å; C692-C717 WeakPolarHBondContact SG-CB 3.04Å; C692-C717 CovalentContact SG-SG 2.02Å; C692-C717 PolarHBondContact SG-SG 3.35Å; M714-C717 VanDerWaalsContact C-SG 3.55Å; M714-C717 WeakPolarHBondContact CA-SG 3.35Å; M714-C717 HydrophobicContact CB-CB 4.5Å; M714-C717 VanDerWaalsContact O-CB 3.24Å; M714-C717 WeakPolarHBondContact O-CB 3.44Å; M714-C717 PolarHBondContact O-N 2.7Å; M714-C717 PolarHBondContact O-SG 3.16Å; E715-C717 VanDerWaalsContact C-N 3.27Å; E715-C717 PolarHBondContact O-N 3.37Å; C717-K757 CarbonylContact O-C 3.56Å; C717-K757 VanDerWaalsContact O-C 3.28Å; C717-L758 WeakPolarHBondContact O-CA 2.97Å; C717-L758 PolarHBondContact O-N 2.91Å
718	T	83.3	Confident	86.4	Confident	10 Å²	10	36.2 Å²	36.2	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-23.1	177.1	66.7	0	0	0	0	112.6	I687 P689 K690 N716 K757 E759 Y760	I687-T718 HydrophobicContact CG2-CG2 4.33Å; P689-T718 WeakPolarHBondContact CA-OG1 3.45Å; P689-T718 WeakPolarHBondContact CB-OG1 3.32Å; K690-T718 PolarHBondContact N-OG1 3.04Å; K690-T718 VanDerWaalsContact N-OG1 3.15Å; K690-T718 PolarHBondContact O-N 2.89Å; K690-T718 PolarHBondContact O-OG1 2.68Å; N716-T718 PolarHBondContact O-N 2.76Å; T718-K757 WeakPolarHBondContact CA-O 3.09Å; T718-E759 PolarHBondContact O-N 3.45Å; T718-Y760 PolarHBondContact O-N 2.92Å; T718-Y760 VanDerWaalsContact O-N 3.11Å
719	V	83.3	Confident	86.4	Confident	32 Å²	32	38.7 Å²	38.7	19%	0.194	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.8	173.8	-176.4	0	0	0	0	108.6	K690 I691 C692 Y760	K690-V719 PolarHBondContact O-N 3.2Å; I691-V719 HydrophobicContact CG1-CB 4.21Å; I691-V719 HydrophobicContact CG1-CG2 4.42Å; I691-V719 HydrophobicContact CG2-CB 4.43Å; I691-V719 HydrophobicContact CG2-CG1 4.44Å; C692-V719 PolarHBondContact N-O 3.34Å; V719-Y760 WeakPolarHBondContact CA-O 2.94Å; V719-Y760 HydrophobicContact CG2-CD2 4.03Å; V719-Y760 HydrophobicContact CG2-CG 4.49Å
720	F	88.5	Confident	86.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.4	171.4	-171.2	-102.8	0	0	0	110.9	C692 L694 I697 M714 D723 I724 L758 Y760 T762	C692-F720 HydrophobicContact CB-CD2 4.37Å; C692-F720 WeakPolarHBondContact O-CA 3.19Å; C692-F720 VanDerWaalsContact O-CD2 3.31Å; C692-F720 WeakPolarHBondContact O-CD2 3.47Å; L694-F720 HydrophobicContact CB-CZ 4.08Å; L694-F720 HydrophobicContact CD1-CZ 4.31Å; I697-F720 HydrophobicContact CD1-CE2 3.67Å; I697-F720 HydrophobicContact CD1-CZ 4.24Å; I697-F720 HydrophobicContact CG1-CE2 4.49Å; M714-F720 HydrophobicContact CE-CB 4.45Å; M714-F720 HydrophobicContact CE-CD2 3.65Å; M714-F720 HydrophobicContact CE-CE2 4.13Å; M714-F720 HydrophobicContact CE-CG 4.12Å; M714-F720 HydrophobicContact SD-CD2 4.32Å; M714-F720 HydrophobicContact SD-CE2 4.22Å; F720-D723 WeakPolarHBondContact CE1-O 3.32Å; F720-I724 HydrophobicContact CB-CD1 4.05Å; F720-I724 HydrophobicContact CB-CG1 4.5Å; F720-I724 HydrophobicContact CD1-CD1 3.89Å; F720-I724 HydrophobicContact CD1-CG1 3.41Å; F720-I724 VanDerWaalsContact CD1-CG1 3.41Å; F720-I724 HydrophobicContact CE1-CG1 3.81Å; F720-I724 HydrophobicContact CG-CD1 4.02Å; F720-I724 HydrophobicContact CG-CG1 4.05Å; F720-L758 HydrophobicContact CB-CD1 3.81Å; F720-L758 HydrophobicContact CB-CD2 4.45Å; F720-Y760 PolarHBondContact N-O 3.28Å; F720-T762 PolarHBondContact O-N 2.89Å
721	E	83	Confident	86.6	Confident	112 Å²	112	33.4 Å²	33.4	52%	0.523	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	98.1	178.2	-172.2	172.2	-178.9	0	0	110.4	C692 T693 T762	C692-E721 PolarHBondContact O-N 3.04Å; T693-E721 HydrophobicContact CG2-CB 4.09Å; E721-T762 WeakPolarHBondContact CA-OG1 3.4Å
722	G	81.9	Confident	86.3	Confident	9 Å²	9	36.1 Å²	36.1	9%	0.093	19%	0.187	C	C	.	.	S	Bend	trans	142.2	-170.7	-175.4	0	0	0	0	0	112.8	T762 G763	G722-T762 PolarHBondContact N-OG1 3.32Å; G722-G763 VanDerWaalsContact O-CA 3.24Å; G722-G763 WeakPolarHBondContact O-CA 2.95Å; G722-G763 PolarHBondContact O-N 3.14Å
723	D	86.4	Confident	85.9	Confident	36 Å²	36	32.8 Å²	32.8	19%	0.193	17%	0.172	C	C	.	.			trans	-88.3	135.5	173.5	-60.2	-68.2	0	0	0	110.9	F720 T764 S792	F720-D723 WeakPolarHBondContact CE1-O 3.32Å; D723-T764 WeakPolarHBondContact CA-O 3.24Å; D723-T764 WeakPolarHBondContact OD1-CB 3.24Å; D723-T764 PolarHBondContact OD1-N 3.08Å; D723-T764 PolarHBondContact OD1-OG1 2.93Å; D723-S792 VanDerWaalsContact OD1-CB 3.29Å; D723-S792 WeakPolarHBondContact OD1-CB 3.04Å; D723-S792 PolarHBondContact OD1-OG 3.37Å; D723-S792 VanDerWaalsContact OD2-CB 3.26Å; D723-S792 WeakPolarHBondContact OD2-CB 3.41Å; D723-S792 PolarHBondContact OD2-OG 2.95Å
724	I	90.7	Very high	85.6	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	113.5	170.9	-67.4	-167.3	0	0	0	109	L706 M714 F720 L755 L758 I761 T764 L765 Y766	L706-I724 HydrophobicContact CD1-CG2 3.92Å; M714-I724 HydrophobicContact CE-CD1 4.12Å; F720-I724 HydrophobicContact CB-CD1 4.05Å; F720-I724 HydrophobicContact CB-CG1 4.5Å; F720-I724 HydrophobicContact CD1-CD1 3.89Å; F720-I724 HydrophobicContact CD1-CG1 3.41Å; F720-I724 VanDerWaalsContact CD1-CG1 3.41Å; F720-I724 HydrophobicContact CE1-CG1 3.81Å; F720-I724 HydrophobicContact CG-CD1 4.02Å; F720-I724 HydrophobicContact CG-CG1 4.05Å; I724-L755 HydrophobicContact CD1-CD2 4.02Å; I724-L758 HydrophobicContact CD1-CD2 3.36Å; I724-I761 HydrophobicContact CB-CD1 4.44Å; I724-I761 HydrophobicContact CD1-CD1 3.85Å; I724-I761 HydrophobicContact CD1-CG1 3.92Å; I724-I761 HydrophobicContact CG1-CD1 4.33Å; I724-I761 HydrophobicContact CG1-CG1 4.47Å; I724-I761 HydrophobicContact CG1-CG2 4.34Å; I724-T764 PolarHBondContact N-O 3.13Å; I724-L765 HydrophobicContact CB-CD1 4.12Å; I724-L765 HydrophobicContact CG2-CD1 3.84Å; I724-L765 WeakPolarHBondContact O-CA 3.4Å; I724-Y766 PolarHBondContact O-N 3.08Å
725	K	91	Very high	84.8	Confident	48 Å²	48	35.3 Å²	35.3	21%	0.209	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.2	-176.3	-177.8	-171.7	-178.8	-169.8	0	110.7	D704 Y705 L706 Y766	D704-K725 WeakPolarHBondContact O-CB 3.44Å; D704-K725 VanDerWaalsContact O-CD 3.24Å; D704-K725 WeakPolarHBondContact O-CD 3.48Å; D704-K725 IonicContact OD1-NZ 3.22Å; D704-K725 PolarHBondContact OD1-NZ 3.13Å; D704-K725 IonicContact OD2-NZ 3.16Å; D704-K725 PolarHBondContact OD2-NZ 2.78Å; Y705-K725 CarbonylContact C-O 3.53Å; Y705-K725 VanDerWaalsContact CA-O 3.28Å; Y705-K725 WeakPolarHBondContact CA-O 3.45Å; Y705-K725 WeakPolarHBondContact CB-O 3.41Å; L706-K725 PolarHBondContact N-O 2.83Å; K725-Y766 WeakPolarHBondContact CA-O 3.06Å; K725-Y766 HydrophobicContact CG-CD1 3.66Å; K725-Y766 HydrophobicContact CG-CE1 4.35Å; K725-Y766 HydrophobicContact CG-CG 4.08Å
726	L	92	Very high	84.4	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	85	169.4	-66.5	171.2	0	0	0	108	L706 F731 L751 L755 Y766 I767 S768 F781	L706-L726 HydrophobicContact CB-CD2 4.13Å; L726-F731 HydrophobicContact CB-CE2 4.28Å; L726-F731 HydrophobicContact CB-CZ 4.21Å; L726-L751 HydrophobicContact CD1-CD2 3.61Å; L726-L751 HydrophobicContact CD2-CD2 3.8Å; L726-L751 HydrophobicContact CG-CD2 4.38Å; L726-L755 HydrophobicContact CD1-CD1 4.34Å; L726-Y766 PolarHBondContact N-O 3.35Å; L726-I767 HydrophobicContact CD1-CG1 4.47Å; L726-I767 CarbonylContact O-C 3.25Å; L726-I767 WeakPolarHBondContact O-CA 3.27Å; L726-S768 PolarHBondContact O-N 2.86Å; L726-F781 HydrophobicContact CD1-CE2 4.01Å; L726-F781 HydrophobicContact CD1-CZ 4.16Å
727	S	89.4	Confident	84.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	18%	0.176	C	C	.	.			trans	-93	177.4	178.3	65.6	0	0	0	0	111.5	Q729 S730 F731 S768	S727-Q729 PolarHBondContact O-N 3.09Å; S727-Q729 VanDerWaalsContact O-N 3.1Å; S727-Q729 PolarHBondContact OG-OE1 3.08Å; S727-S730 PolarHBondContact N-OG 2.74Å; S727-S730 VanDerWaalsContact O-CB 3.24Å; S727-S730 WeakPolarHBondContact O-CB 3.46Å; S727-S730 PolarHBondContact O-N 3.41Å; S727-S730 PolarHBondContact O-OG 3.14Å; S727-F731 VanDerWaalsContact O-CD2 3.24Å; S727-F731 WeakPolarHBondContact O-CD2 3.5Å; S727-S768 CarbonylContact C-O 3.38Å
728	M	87.4	Confident	83.4	Confident	78 Å²	78	40.6 Å²	40.6	38%	0.384	21%	0.205	S	C	.	.	H	α-helix	trans	-52.6	-36.6	179.1	-168	175.3	70.3	0	0	111.9	S730 F731 I732 S768	M728-S730 VanDerWaalsContact C-N 3.31Å; M728-S730 PolarHBondContact O-N 3.5Å; M728-F731 PolarHBondContact O-N 3.46Å; M728-I732 HydrophobicContact CE-CD1 3.95Å; M728-I732 HydrophobicContact CG-CD1 4.1Å; M728-I732 HydrophobicContact CG-CG2 4.31Å; M728-I732 WeakPolarHBondContact O-CG1 3.48Å; M728-I732 PolarHBondContact O-N 2.8Å; M728-S768 PolarHBondContact N-O 3.49Å
729	Q	86.7	Confident	82.8	Confident	68 Å²	68	40.3 Å²	40.3	32%	0.318	20%	0.203	S	C	.	.	H	α-helix	trans	-58.4	-34.2	174.3	-66.1	76.2	12.6	0	0	113.5	Y705 S727 F731 G733 D734	Y705-Q729 HydrophobicContact CD1-CB 4.28Å; Y705-Q729 HydrophobicContact CD2-CB 4.22Å; Y705-Q729 HydrophobicContact CE1-CB 3.98Å; Y705-Q729 HydrophobicContact CE1-CG 4.29Å; Y705-Q729 HydrophobicContact CE2-CB 3.95Å; Y705-Q729 HydrophobicContact CG-CB 4.41Å; S727-Q729 PolarHBondContact O-N 3.09Å; S727-Q729 VanDerWaalsContact O-N 3.1Å; S727-Q729 PolarHBondContact OG-OE1 3.08Å; Q729-F731 PolarHBondContact O-N 2.9Å; Q729-G733 WeakPolarHBondContact CA-O 3.26Å; Q729-G733 CarbonylContact O-C 3.6Å; Q729-G733 VanDerWaalsContact O-C 3.31Å; Q729-G733 WeakPolarHBondContact O-CA 3.38Å; Q729-G733 PolarHBondContact O-N 3.21Å; Q729-D734 HydrophobicContact CB-CB 4.49Å
730	S	89.2	Confident	82	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-30.4	174.1	-58.4	0	0	0	0	112.2	L706 S727 M728 V746	L706-S730 VanDerWaalsContact O-CB 3.24Å; L706-S730 WeakPolarHBondContact O-CB 3.5Å; L706-S730 PolarHBondContact O-OG 3.43Å; S727-S730 PolarHBondContact N-OG 2.74Å; S727-S730 VanDerWaalsContact O-CB 3.24Å; S727-S730 WeakPolarHBondContact O-CB 3.46Å; S727-S730 PolarHBondContact O-N 3.41Å; S727-S730 PolarHBondContact O-OG 3.14Å; M728-S730 VanDerWaalsContact C-N 3.31Å; M728-S730 PolarHBondContact O-N 3.5Å; S730-V746 WeakPolarHBondContact O-CB 3.46Å; S730-V746 VanDerWaalsContact O-CG2 3.31Å; S730-V746 WeakPolarHBondContact O-CG2 3.24Å; S730-V746 PolarHBondContact O-N 2.9Å
731	F	88.2	Confident	81	Confident	6 Å²	6	45.7 Å²	45.7	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-101.8	-23.9	-175.3	-53.4	-78.2	0	0	0	114.1	L726 S727 M728 Q729 Q741 V746 A769 H772 A773 W775 M776	L726-F731 HydrophobicContact CB-CE2 4.28Å; L726-F731 HydrophobicContact CB-CZ 4.21Å; S727-F731 VanDerWaalsContact O-CD2 3.24Å; S727-F731 WeakPolarHBondContact O-CD2 3.5Å; M728-F731 PolarHBondContact O-N 3.46Å; Q729-F731 PolarHBondContact O-N 2.9Å; F731-Q741 WeakPolarHBondContact O-CG 3.38Å; F731-Q741 PolarHBondContact O-NE2 2.83Å; F731-V746 HydrophobicContact CD1-CB 4.49Å; F731-V746 HydrophobicContact CE1-CG1 4.48Å; F731-A769 HydrophobicContact CD2-CB 3.68Å; F731-A769 HydrophobicContact CE2-CB 3.44Å; F731-A769 VanDerWaalsContact CE2-CB 3.44Å; F731-A769 HydrophobicContact CG-CB 4.33Å; F731-A769 HydrophobicContact CZ-CB 3.91Å; F731-H772 HydrophobicContact CB-CB 4.13Å; F731-A773 HydrophobicContact CD1-CB 3.8Å; F731-A773 HydrophobicContact CE1-CB 3.94Å; F731-A773 HydrophobicContact CG-CB 4.26Å; F731-W775 HydrophobicContact CD1-CH2 4.07Å; F731-W775 HydrophobicContact CD1-CZ2 4.01Å; F731-W775 AromaticContact CE1-CH2 3.84Å; F731-W775 HydrophobicContact CE1-CH2 3.84Å; F731-W775 HydrophobicContact CE1-CZ2 4.24Å; F731-M776 HydrophobicContact CE1-SD 4.44Å; F731-M776 HydrophobicContact CZ-SD 4.18Å
732	I	83.5	Confident	79.9	Confident	57 Å²	57	45 Å²	45	29%	0.292	23%	0.229	S	C	.	.	H	α-helix	trans	-106.3	-3.8	177	77.7	177.9	0	0	0	113.9	M728 Q741 H772	M728-I732 HydrophobicContact CE-CD1 3.95Å; M728-I732 HydrophobicContact CG-CD1 4.1Å; M728-I732 HydrophobicContact CG-CG2 4.31Å; M728-I732 WeakPolarHBondContact O-CG1 3.48Å; M728-I732 PolarHBondContact O-N 2.8Å; I732-Q741 WeakPolarHBondContact O-CB 3.5Å; I732-H772 HydrophobicContact CG2-CB 3.75Å; I732-H772 VanDerWaalsContact CG2-CG 3.41Å; I732-H772 WeakPolarHBondContact CG2-ND1 3.39Å
733	G	77.3	Confident	78.6	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.4	-172	-166.7	0	0	0	0	0	112.7	Q729 L739	Q729-G733 WeakPolarHBondContact CA-O 3.26Å; Q729-G733 CarbonylContact O-C 3.6Å; Q729-G733 VanDerWaalsContact O-C 3.31Å; Q729-G733 WeakPolarHBondContact O-CA 3.38Å; Q729-G733 PolarHBondContact O-N 3.21Å; G733-L739 CarbonylContact C-O 3.26Å; G733-L739 WeakPolarHBondContact CA-O 3.08Å
734	D	79.2	Confident	77.5	Confident	29 Å²	29	46.3 Å²	46.3	16%	0.155	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	102.9	177.6	-170.3	-16.4	0	0	0	110.3	Y705 Q729 F736 Y737 N738 L739	Y705-D734 WeakPolarHBondContact OH-CB 3.38Å; Y705-D734 VanDerWaalsContact OH-CG 3.26Å; Y705-D734 PolarHBondContact OH-OD2 3.13Å; Q729-D734 HydrophobicContact CB-CB 4.49Å; D734-F736 PolarHBondContact O-N 3.31Å; D734-F736 VanDerWaalsContact O-N 3.08Å; D734-F736 WeakPolarHBondContact OD1-CB 3.45Å; D734-F736 PolarHBondContact OD1-N 3.44Å; D734-Y737 PolarHBondContact O-N 2.82Å; D734-Y737 VanDerWaalsContact O-N 3.15Å; D734-Y737 WeakPolarHBondContact OD2-CD2 3.44Å; D734-N738 PolarHBondContact O-N 3.48Å; D734-L739 CarbonylContact C-O 3.42Å; D734-L739 HydrophobicContact CB-CB 4.45Å; D734-L739 HydrophobicContact CB-CD1 4.32Å; D734-L739 PolarHBondContact N-O 3.48Å; D734-L739 PolarHBondContact O-N 3.2Å
735	P	72	Confident	76.7	Confident	67 Å²	67	46.4 Å²	46.4	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-10.1	176.1	-24.9	35.6	0	0	0	115.1	S1994 I1995	P735-S1994 VanDerWaalsContact O-CA 3.32Å; P735-S1994 WeakPolarHBondContact O-CA 3.41Å; P735-S1994 PolarHBondContact O-N 2.89Å; P735-I1995 HydrophobicContact CB-CB 4.4Å; P735-I1995 HydrophobicContact CB-CD1 4.43Å; P735-I1995 HydrophobicContact CB-CG1 4.46Å
736	F	75.4	Confident	76.5	Confident	115 Å²	115	44.4 Å²	44.4	50%	0.504	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-44	171.4	-173.7	-96.7	0	0	0	111.5	D734 N738 S1993	D734-F736 PolarHBondContact O-N 3.31Å; D734-F736 VanDerWaalsContact O-N 3.08Å; D734-F736 WeakPolarHBondContact OD1-CB 3.45Å; D734-F736 PolarHBondContact OD1-N 3.44Å; F736-N738 VanDerWaalsContact C-N 3.31Å; F736-S1993 WeakPolarHBondContact O-CB 3.44Å
737	Y	73.7	Confident	76.2	Confident	62 Å²	62	46.5 Å²	46.5	24%	0.243	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9	176.5	-66.3	-68.3	0	0	0	113.7	I700 G702 I703 D734 L739	I700-Y737 HydrophobicContact CG2-CD1 3.61Å; I700-Y737 HydrophobicContact CG2-CE1 4.21Å; I700-Y737 HydrophobicContact CG2-CG 4.3Å; G702-Y737 WeakPolarHBondContact CA-OH 3.49Å; G702-Y737 PolarHBondContact O-OH 2.98Å; I703-Y737 HydrophobicContact CD1-CD2 4.42Å; I703-Y737 HydrophobicContact CD1-CG 4.18Å; I703-Y737 HydrophobicContact CG1-CD1 4.08Å; I703-Y737 HydrophobicContact CG1-CD2 3.75Å; I703-Y737 HydrophobicContact CG1-CE1 4.31Å; I703-Y737 HydrophobicContact CG1-CE2 3.97Å; I703-Y737 HydrophobicContact CG1-CG 3.8Å; D734-Y737 PolarHBondContact O-N 2.82Å; D734-Y737 VanDerWaalsContact O-N 3.15Å; D734-Y737 WeakPolarHBondContact OD2-CD2 3.44Å; Y737-L739 VanDerWaalsContact C-N 3.26Å; Y737-L739 PolarHBondContact O-N 2.94Å
738	N	69.4	Low	76.1	Confident	116 Å²	116	50 Å²	50	62%	0.62	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	35	-175.1	-163.3	87.3	0	0	0	112.8	D734 F736	D734-N738 PolarHBondContact O-N 3.48Å; F736-N738 VanDerWaalsContact C-N 3.31Å
739	L	71.1	Confident	76	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.2	173.5	-51.7	176.7	0	0	0	108.7	I700 I703 Y705 H707 G733 D734 Y737 E744	I700-L739 HydrophobicContact CD1-CD2 4.08Å; I703-L739 HydrophobicContact CD1-CD1 3.85Å; Y705-L739 HydrophobicContact CE2-CD1 4.01Å; H707-L739 HydrophobicContact CB-CD1 4.25Å; G733-L739 CarbonylContact C-O 3.26Å; G733-L739 WeakPolarHBondContact CA-O 3.08Å; D734-L739 CarbonylContact C-O 3.42Å; D734-L739 HydrophobicContact CB-CB 4.45Å; D734-L739 HydrophobicContact CB-CD1 4.32Å; D734-L739 PolarHBondContact N-O 3.48Å; D734-L739 PolarHBondContact O-N 3.2Å; Y737-L739 VanDerWaalsContact C-N 3.26Å; Y737-L739 PolarHBondContact O-N 2.94Å; L739-E744 HydrophobicContact CB-CB 3.95Å; L739-E744 HydrophobicContact CB-CG 4.21Å; L739-E744 HydrophobicContact CD2-CB 4.33Å; L739-E744 HydrophobicContact CD2-CG 3.98Å
740	S	66.8	Low	76.2	Confident	38 Å²	38	44.2 Å²	44.2	27%	0.266	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	150.1	178.5	106	0	0	0	0	111.3	I742 D743 E744 G745	S740-I742 PolarHBondContact O-N 3.32Å; S740-I742 PolarHBondContact OG-N 3.47Å; S740-I742 VanDerWaalsContact OG-N 3.11Å; S740-D743 WeakPolarHBondContact CB-OD2 3.44Å; S740-D743 VanDerWaalsContact OG-CG 3.29Å; S740-D743 PolarHBondContact OG-N 3.24Å; S740-D743 PolarHBondContact OG-OD2 2.97Å; S740-E744 WeakPolarHBondContact O-CA 3.47Å; S740-E744 WeakPolarHBondContact O-CB 3.42Å; S740-E744 PolarHBondContact O-N 2.98Å; S740-G745 PolarHBondContact O-N 2.96Å
741	Q	65.6	Low	76.4	Confident	107 Å²	107	44.1 Å²	44.1	50%	0.5	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.9	172.8	-167.1	170.3	27.5	0	0	112.8	F731 I732 G745	F731-Q741 WeakPolarHBondContact O-CG 3.38Å; F731-Q741 PolarHBondContact O-NE2 2.83Å; I732-Q741 WeakPolarHBondContact O-CB 3.5Å; Q741-G745 PolarHBondContact O-N 3.36Å
742	I	60.3	Low	76.4	Confident	97 Å²	97	46.7 Å²	46.7	50%	0.497	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-43.3	-173.2	-63.5	173.9	0	0	0	110.4	S740	S740-I742 PolarHBondContact O-N 3.32Å; S740-I742 PolarHBondContact OG-N 3.47Å; S740-I742 VanDerWaalsContact OG-N 3.11Å
743	D	55.4	Low	76.5	Confident	57 Å²	57	46.7 Å²	46.7	31%	0.305	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-44	-172.5	-50.2	-60.9	0	0	0	112.2	R708 S740	R708-D743 PolarHBondContact NH1-O 2.96Å; S740-D743 WeakPolarHBondContact CB-OD2 3.44Å; S740-D743 VanDerWaalsContact OG-CG 3.29Å; S740-D743 PolarHBondContact OG-N 3.24Å; S740-D743 PolarHBondContact OG-OD2 2.97Å
744	E	62.9	Low	77	Confident	16 Å²	16	46.6 Å²	46.6	8%	0.075	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-9.2	-166	-62.2	-97.6	-158.7	0	0	113.4	H707 R708 K709 L739 S740	H707-E744 IonicContact CE1-OE2 2.73Å; H707-E744 PolarHBondContact CE1-OE2 3.34Å; H707-E744 IonicContact CG-OE2 3.75Å; H707-E744 IonicContact ND1-OE2 2.62Å; H707-E744 PolarHBondContact ND1-OE2 3.19Å; R708-E744 VanDerWaalsContact CB-O 3.26Å; R708-E744 WeakPolarHBondContact CB-O 3.4Å; R708-E744 PolarHBondContact N-O 3.4Å; K709-E744 WeakPolarHBondContact CD-OE2 3.32Å; K709-E744 WeakPolarHBondContact CE-OE1 3.34Å; K709-E744 IonicContact NZ-OE1 2.77Å; K709-E744 PolarHBondContact NZ-OE1 3Å; L739-E744 HydrophobicContact CB-CB 3.95Å; L739-E744 HydrophobicContact CB-CG 4.21Å; L739-E744 HydrophobicContact CD2-CB 4.33Å; L739-E744 HydrophobicContact CD2-CG 3.98Å; S740-E744 WeakPolarHBondContact O-CA 3.47Å; S740-E744 WeakPolarHBondContact O-CB 3.42Å; S740-E744 PolarHBondContact O-N 2.98Å
745	G	73.4	Confident	77.6	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.031	23%	0.225	C	C	.	.			trans	-67.7	128.6	178.5	0	0	0	0	0	112.9	S740 Q741	S740-G745 PolarHBondContact O-N 2.96Å; Q741-G745 PolarHBondContact O-N 3.36Å
746	V	86.6	Confident	78.4	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.03	21%	0.213	C	C	.	.			trans	-73.8	132.1	-174.1	175.4	0	0	0	0	112.1	L711 S730 F731 D750 L751 W775	L711-V746 HydrophobicContact CD1-CB 4.26Å; L711-V746 HydrophobicContact CD1-CG1 3.54Å; L711-V746 HydrophobicContact CD1-CG2 3.65Å; S730-V746 WeakPolarHBondContact O-CB 3.46Å; S730-V746 VanDerWaalsContact O-CG2 3.31Å; S730-V746 WeakPolarHBondContact O-CG2 3.24Å; S730-V746 PolarHBondContact O-N 2.9Å; F731-V746 HydrophobicContact CD1-CB 4.49Å; F731-V746 HydrophobicContact CE1-CG1 4.48Å; V746-D750 HydrophobicContact CG1-CB 4.49Å; V746-L751 HydrophobicContact CG1-CD1 4.19Å; V746-L751 HydrophobicContact CG1-CD2 3.65Å; V746-L751 HydrophobicContact CG1-CG 3.6Å; V746-W775 VanDerWaalsContact O-CZ2 3.26Å; V746-W775 WeakPolarHBondContact O-CZ2 3.28Å
747	K	87	Confident	78.8	Confident	44 Å²	44	41.4 Å²	41.4	19%	0.191	20%	0.204	C	C	.	.			trans	-118.9	168.6	175.3	-59	147.3	-170.4	164.5	0	110	K749 D750 L751	K747-K749 VanDerWaalsContact C-N 3.28Å; K747-K749 HydrophobicContact CB-CG 4.28Å; K747-K749 PolarHBondContact O-N 3.38Å; K747-D750 WeakPolarHBondContact CA-OD2 3.28Å; K747-D750 VanDerWaalsContact CB-OD2 3.25Å; K747-D750 WeakPolarHBondContact CB-OD2 3.41Å; K747-D750 PolarHBondContact N-OD2 3.4Å; K747-D750 PolarHBondContact O-N 3.42Å; K747-L751 PolarHBondContact O-N 3.32Å
748	W	86.9	Confident	79.6	Confident	77 Å²	77	38.4 Å²	38.4	29%	0.292	19%	0.193	S	C	.	.	H	α-helix	trans	-48.9	-45.5	179.9	-173	-98.2	0	0	0	113.7	D750 L751 I752 W775 M776 N778 T780 F781	W748-D750 PolarHBondContact O-N 3.03Å; W748-L751 WeakPolarHBondContact O-CB 3.48Å; W748-L751 PolarHBondContact O-N 2.8Å; W748-I752 HydrophobicContact CZ2-CD1 4.38Å; W748-I752 WeakPolarHBondContact O-CG1 3.37Å; W748-I752 PolarHBondContact O-N 3.08Å; W748-W775 HydrophobicContact CB-CE3 3.84Å; W748-W775 HydrophobicContact CB-CZ3 3.95Å; W748-W775 AromaticContact CE3-CE3 3.97Å; W748-W775 HydrophobicContact CE3-CE3 3.97Å; W748-W775 AromaticContact CE3-CZ3 3.99Å; W748-W775 HydrophobicContact CE3-CZ3 3.99Å; W748-W775 VanDerWaalsContact N-CZ3 3.33Å; W748-M776 HydrophobicContact CZ3-CG 4.4Å; W748-N778 WeakPolarHBondContact CH2-OD1 3.33Å; W748-N778 VanDerWaalsContact CZ3-O 3.27Å; W748-N778 WeakPolarHBondContact CZ3-O 3.47Å; W748-T780 WeakPolarHBondContact CZ2-OG1 3.46Å; W748-F781 HydrophobicContact CE3-CD1 4.32Å; W748-F781 AromaticContact CH2-CD1 3.82Å; W748-F781 HydrophobicContact CH2-CD1 3.82Å; W748-F781 AromaticContact CZ3-CD1 3.71Å; W748-F781 HydrophobicContact CZ3-CD1 3.71Å; W748-F781 HydrophobicContact CZ3-CE1 4.09Å
749	K	86.3	Confident	80.4	Confident	23 Å²	23	35.2 Å²	35.2	10%	0.1	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-40	177.6	52.7	149.5	173.5	-154	0	113.8	K747 L751 I752 I753 Q1968 E1972	K747-K749 VanDerWaalsContact C-N 3.28Å; K747-K749 HydrophobicContact CB-CG 4.28Å; K747-K749 PolarHBondContact O-N 3.38Å; K749-L751 VanDerWaalsContact C-N 3.29Å; K749-L751 PolarHBondContact O-N 2.75Å; K749-I752 PolarHBondContact O-N 2.93Å; K749-I753 WeakPolarHBondContact O-CB 3.4Å; K749-I753 VanDerWaalsContact O-CG1 3.27Å; K749-I753 WeakPolarHBondContact O-CG1 3.47Å; K749-I753 PolarHBondContact O-N 2.84Å; K749-Q1968 VanDerWaalsContact CD-CD 3.47Å; K749-Q1968 HydrophobicContact CD-CG 3.68Å; K749-Q1968 VanDerWaalsContact CE-CD 3.49Å; K749-Q1968 HydrophobicContact CG-CG 4.34Å; K749-E1972 WeakPolarHBondContact CD-OE1 3.45Å; K749-E1972 WeakPolarHBondContact CE-OE1 3.07Å; K749-E1972 IonicContact NZ-OE1 2.76Å; K749-E1972 PolarHBondContact NZ-OE1 2.94Å; K749-E1972 IonicContact NZ-OE2 2.69Å; K749-E1972 PolarHBondContact NZ-OE2 2.75Å
750	D	90.6	Very high	81.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-34	-176.7	-43.6	-71.3	0	0	0	109.6	R708 L711 H712 V746 K747 W748 G754	R708-D750 HydrophobicContact CG-CB 4.29Å; R708-D750 WeakPolarHBondContact CG-OD1 3.23Å; R708-D750 IonicContact CZ-OD1 2.87Å; R708-D750 IonicContact NE-OD1 3.45Å; R708-D750 PolarHBondContact NE-OD1 3.47Å; R708-D750 IonicContact NE-OD2 3.47Å; R708-D750 IonicContact NH2-OD1 3.61Å; L711-D750 HydrophobicContact CD1-CB 4.07Å; H712-D750 IonicContact CE1-OD1 3.29Å; H712-D750 PolarHBondContact CE1-OD1 2.82Å; V746-D750 HydrophobicContact CG1-CB 4.49Å; K747-D750 WeakPolarHBondContact CA-OD2 3.28Å; K747-D750 VanDerWaalsContact CB-OD2 3.25Å; K747-D750 WeakPolarHBondContact CB-OD2 3.41Å; K747-D750 PolarHBondContact N-OD2 3.4Å; K747-D750 PolarHBondContact O-N 3.42Å; W748-D750 PolarHBondContact O-N 3.03Å; D750-G754 PolarHBondContact O-N 2.92Å
751	L	91.9	Very high	82.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-43.2	170.4	-63.5	169	0	0	0	112	L711 L726 V746 K747 W748 K749 L755 W775 F781	L711-L751 HydrophobicContact CD1-CD2 4.07Å; L711-L751 HydrophobicContact CD2-CD2 4.49Å; L726-L751 HydrophobicContact CD1-CD2 3.61Å; L726-L751 HydrophobicContact CD2-CD2 3.8Å; L726-L751 HydrophobicContact CG-CD2 4.38Å; V746-L751 HydrophobicContact CG1-CD1 4.19Å; V746-L751 HydrophobicContact CG1-CD2 3.65Å; V746-L751 HydrophobicContact CG1-CG 3.6Å; K747-L751 PolarHBondContact O-N 3.32Å; W748-L751 WeakPolarHBondContact O-CB 3.48Å; W748-L751 PolarHBondContact O-N 2.8Å; K749-L751 VanDerWaalsContact C-N 3.29Å; K749-L751 PolarHBondContact O-N 2.75Å; L751-L755 HydrophobicContact CD2-CD1 3.78Å; L751-L755 WeakPolarHBondContact O-CA 3.26Å; L751-L755 VanDerWaalsContact O-CB 3.24Å; L751-L755 WeakPolarHBondContact O-CB 3.29Å; L751-L755 PolarHBondContact O-N 2.83Å; L751-W775 HydrophobicContact CD1-CH2 4.06Å; L751-W775 HydrophobicContact CD1-CZ3 3.96Å; L751-F781 HydrophobicContact CB-CB 4.13Å; L751-F781 HydrophobicContact CB-CD1 4.22Å; L751-F781 HydrophobicContact CB-CD2 3.89Å; L751-F781 HydrophobicContact CB-CE2 4.35Å; L751-F781 HydrophobicContact CB-CG 3.83Å; L751-F781 HydrophobicContact CD1-CD1 4.1Å; L751-F781 HydrophobicContact CD1-CE1 3.82Å; L751-F781 HydrophobicContact CD1-CE2 4.3Å; L751-F781 HydrophobicContact CD1-CG 4.46Å; L751-F781 HydrophobicContact CD1-CZ 3.93Å; L751-F781 HydrophobicContact CD2-CD2 4.39Å; L751-F781 HydrophobicContact CD2-CE2 4.08Å; L751-F781 HydrophobicContact CD2-CZ 4.41Å; L751-F781 HydrophobicContact CG-CE2 4.48Å
752	I	88.7	Confident	83.2	Confident	60 Å²	60	34.8 Å²	34.8	31%	0.308	17%	0.168	S	C	.	.	H	α-helix	trans	-62.7	-46.1	175.9	-67.5	-72.1	0	0	0	110.9	W748 K749 S756 F781	W748-I752 HydrophobicContact CZ2-CD1 4.38Å; W748-I752 WeakPolarHBondContact O-CG1 3.37Å; W748-I752 PolarHBondContact O-N 3.08Å; K749-I752 PolarHBondContact O-N 2.93Å; I752-S756 WeakPolarHBondContact O-CB 3.47Å; I752-S756 PolarHBondContact O-N 3.2Å; I752-S756 VanDerWaalsContact O-N 3.12Å; I752-S756 PolarHBondContact O-OG 3.49Å; I752-F781 HydrophobicContact CD1-CB 3.74Å; I752-F781 HydrophobicContact CG1-CB 4.33Å
753	I	86.9	Confident	84.2	Confident	57 Å²	57	30.2 Å²	30.2	29%	0.292	14%	0.144	S	C	.	.	H	α-helix	trans	-59.7	-48.9	178.3	-70.3	164.4	0	0	0	111.2	E715 K749	E715-I753 HydrophobicContact CB-CG2 4.25Å; E715-I753 HydrophobicContact CG-CG2 4.08Å; K749-I753 WeakPolarHBondContact O-CB 3.4Å; K749-I753 VanDerWaalsContact O-CG1 3.27Å; K749-I753 WeakPolarHBondContact O-CG1 3.47Å; K749-I753 PolarHBondContact O-N 2.84Å
754	G	86.4	Confident	85.7	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-84.2	-24.2	-173.8	0	0	0	0	0	116.2	L711 M714 D750	L711-G754 WeakPolarHBondContact O-CA 3.44Å; M714-G754 WeakPolarHBondContact CB-O 3.41Å; D750-G754 PolarHBondContact O-N 2.92Å
755	L	92.7	Very high	87	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-124.7	-18.5	-168.3	-54.5	171.4	0	0	0	114.7	L706 L711 M714 I724 L726 L751 K757 L758 F781 L782	L706-L755 HydrophobicContact CD1-CD2 4.26Å; L711-L755 HydrophobicContact CD2-CD1 4.01Å; L711-L755 HydrophobicContact CD2-CD2 4.2Å; L711-L755 HydrophobicContact CD2-CG 3.83Å; M714-L755 HydrophobicContact CE-CD2 3.53Å; M714-L755 HydrophobicContact SD-CD2 4.38Å; I724-L755 HydrophobicContact CD1-CD2 4.02Å; L726-L755 HydrophobicContact CD1-CD1 4.34Å; L751-L755 HydrophobicContact CD2-CD1 3.78Å; L751-L755 WeakPolarHBondContact O-CA 3.26Å; L751-L755 VanDerWaalsContact O-CB 3.24Å; L751-L755 WeakPolarHBondContact O-CB 3.29Å; L751-L755 PolarHBondContact O-N 2.83Å; L755-K757 PolarHBondContact O-N 2.88Å; L755-K757 VanDerWaalsContact O-N 3.1Å; L755-L758 HydrophobicContact CD2-CD2 4.13Å; L755-L758 WeakPolarHBondContact O-CB 3.49Å; L755-L758 PolarHBondContact O-N 3.39Å; L755-F781 CarbonylContact C-O 3.6Å; L755-F781 VanDerWaalsContact C-O 3.31Å; L755-F781 HydrophobicContact CB-CD2 4.18Å; L755-F781 HydrophobicContact CD1-CD2 3.72Å; L755-F781 HydrophobicContact CD1-CE2 3.78Å; L755-L782 HydrophobicContact CB-CD2 3.98Å; L755-L782 HydrophobicContact CD1-CD2 4.16Å
756	S	88.3	Confident	87.9	Confident	25 Å²	25	30.5 Å²	30.5	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20	-174.8	67.2	0	0	0	0	114.9	I752 F781 N784	I752-S756 WeakPolarHBondContact O-CB 3.47Å; I752-S756 PolarHBondContact O-N 3.2Å; I752-S756 VanDerWaalsContact O-N 3.12Å; I752-S756 PolarHBondContact O-OG 3.49Å; S756-F781 WeakPolarHBondContact CA-O 3.42Å; S756-F781 PolarHBondContact N-O 2.88Å; S756-N784 PolarHBondContact O-ND2 3.09Å
757	K	84.5	Confident	88.3	Confident	76 Å²	76	30.3 Å²	30.3	33%	0.33	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	1.9	175.9	-58.6	-53.4	-175.6	-173.1	0	113.7	I687 C717 T718 L755	I687-K757 HydrophobicContact CD1-CD 4.23Å; C717-K757 CarbonylContact O-C 3.56Å; C717-K757 VanDerWaalsContact O-C 3.28Å; T718-K757 WeakPolarHBondContact CA-O 3.09Å; L755-K757 PolarHBondContact O-N 2.88Å; L755-K757 VanDerWaalsContact O-N 3.1Å
758	L	89.3	Confident	88.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.			trans	-80	124	-174	-171	68.5	0	0	0	111.8	C717 F720 I724 L755 I761 N784 V785	C717-L758 WeakPolarHBondContact O-CA 2.97Å; C717-L758 PolarHBondContact O-N 2.91Å; F720-L758 HydrophobicContact CB-CD1 3.81Å; F720-L758 HydrophobicContact CB-CD2 4.45Å; I724-L758 HydrophobicContact CD1-CD2 3.36Å; L755-L758 HydrophobicContact CD2-CD2 4.13Å; L755-L758 WeakPolarHBondContact O-CB 3.49Å; L755-L758 PolarHBondContact O-N 3.39Å; L758-I761 HydrophobicContact CD2-CD1 4.12Å; L758-I761 HydrophobicContact CD2-CG1 3.79Å; L758-I761 HydrophobicContact CG-CG1 4.46Å; L758-N784 CarbonylContact O-C 3.56Å; L758-N784 VanDerWaalsContact O-C 3.27Å; L758-V785 HydrophobicContact CB-CG2 4.48Å; L758-V785 HydrophobicContact CD2-CG2 4.43Å; L758-V785 HydrophobicContact CG-CG2 4.46Å; L758-V785 WeakPolarHBondContact O-CA 3.43Å; L758-V785 WeakPolarHBondContact O-CG2 3.31Å; L758-V785 PolarHBondContact O-N 2.03Å
759	E	87.6	Confident	88.6	Confident	49 Å²	49	25.1 Å²	25.1	23%	0.229	12%	0.121	C	C	.	.			trans	-107.9	-29	179	-58.9	-162.4	154.5	0	0	113.3	T718 N784 K786 I787	T718-E759 PolarHBondContact O-N 3.45Å; E759-N784 WeakPolarHBondContact CA-O 3.44Å; E759-K786 HydrophobicContact CB-CD 4.3Å; E759-K786 VanDerWaalsContact CD-CE 3.49Å; E759-K786 PolarHBondContact O-N 3.18Å; E759-K786 WeakPolarHBondContact OE1-CE 3.01Å; E759-K786 IonicContact OE1-NZ 3.3Å; E759-K786 PolarHBondContact OE1-NZ 2.91Å; E759-K786 IonicContact OE2-NZ 3.83Å; E759-K786 PolarHBondContact OE2-NZ 3.37Å; E759-I787 PolarHBondContact O-N 3.17Å
760	Y	87.4	Confident	88.5	Confident	93 Å²	93	24.7 Å²	24.7	37%	0.365	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	130.8	-173.7	-57.9	-90.2	0	0	0	112	T718 V719 F720 I787	T718-Y760 PolarHBondContact O-N 2.92Å; T718-Y760 VanDerWaalsContact O-N 3.11Å; V719-Y760 WeakPolarHBondContact CA-O 2.94Å; V719-Y760 HydrophobicContact CG2-CD2 4.03Å; V719-Y760 HydrophobicContact CG2-CG 4.49Å; F720-Y760 PolarHBondContact N-O 3.28Å; Y760-I787 HydrophobicContact CD1-CB 3.97Å; Y760-I787 HydrophobicContact CD1-CD1 4.08Å; Y760-I787 HydrophobicContact CD1-CG1 4.02Å; Y760-I787 HydrophobicContact CE1-CB 4.4Å; Y760-I787 HydrophobicContact CE1-CD1 3.76Å; Y760-I787 HydrophobicContact CE1-CG1 3.93Å
761	I	89.8	Confident	88.3	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.8	169.9	-59	172.2	0	0	0	107.5	I724 L758 L765 V785 I787 I788 G789	I724-I761 HydrophobicContact CB-CD1 4.44Å; I724-I761 HydrophobicContact CD1-CD1 3.85Å; I724-I761 HydrophobicContact CD1-CG1 3.92Å; I724-I761 HydrophobicContact CG1-CD1 4.33Å; I724-I761 HydrophobicContact CG1-CG1 4.47Å; I724-I761 HydrophobicContact CG1-CG2 4.34Å; L758-I761 HydrophobicContact CD2-CD1 4.12Å; L758-I761 HydrophobicContact CD2-CG1 3.79Å; L758-I761 HydrophobicContact CG-CG1 4.46Å; I761-L765 HydrophobicContact CD1-CD1 4.3Å; I761-V785 HydrophobicContact CD1-CG1 4.2Å; I761-V785 HydrophobicContact CG1-CG1 4.47Å; I761-I787 PolarHBondContact N-O 2.94Å; I761-I788 HydrophobicContact CB-CG2 4.4Å; I761-I788 HydrophobicContact CD1-CG1 4.35Å; I761-I788 HydrophobicContact CG2-CG2 4.42Å; I761-G789 PolarHBondContact O-N 3.02Å
762	T	83.8	Confident	87.9	Confident	45 Å²	45	31.3 Å²	31.3	28%	0.276	16%	0.161	S	C	.	.	S	Bend	trans	-79.7	-38.1	179.8	65.3	0	0	0	0	112.9	F720 E721 G722 G789 G790 I791	F720-T762 PolarHBondContact O-N 2.89Å; E721-T762 WeakPolarHBondContact CA-OG1 3.4Å; G722-T762 PolarHBondContact N-OG1 3.32Å; T762-G789 CarbonylContact O-C 3.32Å; T762-G789 VanDerWaalsContact O-CA 3.3Å; T762-G789 WeakPolarHBondContact O-CA 3.49Å; T762-G790 PolarHBondContact O-N 2.88Å; T762-I791 PolarHBondContact O-N 3.19Å
763	G	82	Confident	87.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-86.7	-144	176.5	0	0	0	0	0	113.2	G722 G790	G722-G763 VanDerWaalsContact O-CA 3.24Å; G722-G763 WeakPolarHBondContact O-CA 2.95Å; G722-G763 PolarHBondContact O-N 3.14Å; G763-G790 WeakPolarHBondContact O-CA 3.47Å; G763-G790 PolarHBondContact O-N 2.94Å
764	T	86.3	Confident	87.6	Confident	13 Å²	13	29.2 Å²	29.2	8%	0.08	16%	0.155	C	C	.	.			trans	-100.2	159.6	-177.2	63.1	0	0	0	0	112.9	D723 I724 R799 T800	D723-T764 WeakPolarHBondContact CA-O 3.24Å; D723-T764 WeakPolarHBondContact OD1-CB 3.24Å; D723-T764 PolarHBondContact OD1-N 3.08Å; D723-T764 PolarHBondContact OD1-OG1 2.93Å; I724-T764 PolarHBondContact N-O 3.13Å; T764-R799 VanDerWaalsContact CB-O 3.3Å; T764-R799 WeakPolarHBondContact CB-O 3.32Å; T764-R799 VanDerWaalsContact CG2-O 3.31Å; T764-R799 WeakPolarHBondContact CG2-O 3.33Å; T764-T800 WeakPolarHBondContact CA-O 3.47Å
765	L	91.5	Very high	87.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118	172.9	178.3	63.7	0	0	0	110.3	I724 I761 I767 L782 I788 T800 V801 N802 M814	I724-L765 HydrophobicContact CB-CD1 4.12Å; I724-L765 HydrophobicContact CG2-CD1 3.84Å; I724-L765 WeakPolarHBondContact O-CA 3.4Å; I761-L765 HydrophobicContact CD1-CD1 4.3Å; L765-I767 HydrophobicContact CD1-CD1 4.17Å; L765-I767 HydrophobicContact CD1-CG1 4.15Å; L765-I767 HydrophobicContact CD2-CD1 4.39Å; L765-I767 HydrophobicContact CG-CD1 4.31Å; L765-I767 HydrophobicContact CG-CG1 4.34Å; L765-L782 HydrophobicContact CD1-CD1 4.16Å; L765-L782 HydrophobicContact CD2-CD1 3.81Å; L765-I788 HydrophobicContact CB-CD1 4.07Å; L765-I788 HydrophobicContact CB-CG2 4.28Å; L765-I788 HydrophobicContact CD2-CD1 3.75Å; L765-T800 PolarHBondContact N-O 2.87Å; L765-V801 CarbonylContact O-C 3.59Å; L765-V801 WeakPolarHBondContact O-CA 3.33Å; L765-N802 PolarHBondContact O-N 3.1Å; L765-M814 HydrophobicContact CD2-CE 3.9Å
766	Y	92	Very high	87.5	Confident	69 Å²	69	33.5 Å²	33.5	27%	0.271	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	177.9	179	-76.6	0	0	0	110.5	I724 K725 L726 N802	I724-Y766 PolarHBondContact O-N 3.08Å; K725-Y766 WeakPolarHBondContact CA-O 3.06Å; K725-Y766 HydrophobicContact CG-CD1 3.66Å; K725-Y766 HydrophobicContact CG-CE1 4.35Å; K725-Y766 HydrophobicContact CG-CG 4.08Å; L726-Y766 PolarHBondContact N-O 3.35Å; Y766-N802 WeakPolarHBondContact CA-O 3.23Å; Y766-N802 HydrophobicContact CD2-CB 4.06Å; Y766-N802 WeakPolarHBondContact CD2-ND2 3.35Å
767	I	93.7	Very high	87.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	114.9	178.5	-54.4	179.1	0	0	0	109.5	L726 L765 M776 L779 L782 N802 I803 N804 N806	L726-I767 HydrophobicContact CD1-CG1 4.47Å; L726-I767 CarbonylContact O-C 3.25Å; L726-I767 WeakPolarHBondContact O-CA 3.27Å; L765-I767 HydrophobicContact CD1-CD1 4.17Å; L765-I767 HydrophobicContact CD1-CG1 4.15Å; L765-I767 HydrophobicContact CD2-CD1 4.39Å; L765-I767 HydrophobicContact CG-CD1 4.31Å; L765-I767 HydrophobicContact CG-CG1 4.34Å; I767-M776 HydrophobicContact CG2-CE 3.95Å; I767-L779 HydrophobicContact CD1-CD1 3.73Å; I767-L779 HydrophobicContact CD1-CD2 4.07Å; I767-L779 HydrophobicContact CD1-CG 4.49Å; I767-L779 HydrophobicContact CG2-CD2 4.49Å; I767-L782 HydrophobicContact CD1-CD1 4.09Å; I767-N802 PolarHBondContact N-O 2.96Å; I767-I803 HydrophobicContact CB-CG1 4.37Å; I767-I803 HydrophobicContact CD1-CG1 4.43Å; I767-I803 WeakPolarHBondContact O-CA 3.24Å; I767-N804 PolarHBondContact O-N 3.45Å; I767-N806 PolarHBondContact O-ND2 3.34Å
768	S	92.1	Very high	88	Confident	11 Å²	11	31.8 Å²	31.8	8%	0.077	17%	0.165	C	C	.	.			trans	-147.8	93.3	177.5	-170.5	0	0	0	0	111.2	L726 S727 M728 N804	L726-S768 PolarHBondContact O-N 2.86Å; S727-S768 CarbonylContact C-O 3.38Å; M728-S768 PolarHBondContact N-O 3.49Å; S768-N804 VanDerWaalsContact CA-O 3.28Å; S768-N804 WeakPolarHBondContact CA-O 3.49Å; S768-N804 WeakPolarHBondContact CB-OD1 3.44Å; S768-N804 PolarHBondContact OG-O 3.05Å; S768-N804 PolarHBondContact OG-OD1 2.67Å
769	A	88.1	Confident	88.2	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.008	17%	0.165	C	C	.	.			trans	-96	-11.9	-175.5	0	0	0	0	0	114.7	F731 S771 H772 A773 M776 N806	F731-A769 HydrophobicContact CD2-CB 3.68Å; F731-A769 HydrophobicContact CE2-CB 3.44Å; F731-A769 VanDerWaalsContact CE2-CB 3.44Å; F731-A769 HydrophobicContact CG-CB 4.33Å; F731-A769 HydrophobicContact CZ-CB 3.91Å; A769-S771 PolarHBondContact O-N 3.24Å; A769-H772 WeakPolarHBondContact O-CB 3.47Å; A769-H772 PolarHBondContact O-N 3.47Å; A769-A773 HydrophobicContact CB-CB 3.76Å; A769-M776 HydrophobicContact CB-CE 3.72Å; A769-N806 WeakPolarHBondContact CB-OD1 3.48Å; A769-N806 PolarHBondContact N-OD1 3.31Å
770	G	85.5	Confident	88.4	Confident	15 Å²	15	31.3 Å²	31.3	16%	0.155	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-131.7	-173.3	0	0	0	0	0	111.9	L805 H807	G770-L805 CarbonylContact C-O 3.59Å; G770-L805 WeakPolarHBondContact CA-O 3.39Å; G770-L805 PolarHBondContact N-O 3.19Å; G770-H807 PolarHBondContact O-N 3.12Å
771	S	85.5	Confident	88.5	Confident	61 Å²	61	26.9 Å²	26.9	43%	0.427	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4.6	168.4	51.5	0	0	0	0	113.5	A769	A769-S771 PolarHBondContact O-N 3.24Å
772	H	83.9	Confident	88.6	Confident	77 Å²	77	26.8 Å²	26.8	36%	0.356	15%	0.148	S	C	.	.	S	Bend	trans	-85.5	-9.7	-169.1	-58.4	-76.6	0	0	0	114.5	F731 I732 A769 P774	F731-H772 HydrophobicContact CB-CB 4.13Å; I732-H772 HydrophobicContact CG2-CB 3.75Å; I732-H772 VanDerWaalsContact CG2-CG 3.41Å; I732-H772 WeakPolarHBondContact CG2-ND1 3.39Å; A769-H772 WeakPolarHBondContact O-CB 3.47Å; A769-H772 PolarHBondContact O-N 3.47Å; H772-P774 WeakPolarHBondContact O-CD 3.31Å
773	A	85.4	Confident	88.8	Confident	4 Å²	4	25.2 Å²	25.2	3%	0.033	14%	0.139	C	C	.	.			trans	-118.6	68	172.8	0	0	0	0	0	111.5	F731 A769 W775 M776	F731-A773 HydrophobicContact CD1-CB 3.8Å; F731-A773 HydrophobicContact CE1-CB 3.94Å; F731-A773 HydrophobicContact CG-CB 4.26Å; 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 3.02Å; A773-W775 VanDerWaalsContact O-N 3.14Å; A773-M776 HydrophobicContact CB-CB 3.83Å; A773-M776 WeakPolarHBondContact O-CB 3.44Å; A773-M776 PolarHBondContact O-N 3.13Å
774	P	84.6	Confident	89	Confident	69 Å²	69	26.4 Å²	26.4	45%	0.448	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.3	-175.7	27.8	-36.3	0	0	0	114.2	H772	H772-P774 WeakPolarHBondContact O-CD 3.31Å
775	W	85.6	Confident	89.2	Confident	90 Å²	90	25.8 Å²	25.8	34%	0.341	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-11.4	174.8	45.6	-97.5	0	0	0	113.5	F731 V746 W748 L751 A773 T777	F731-W775 HydrophobicContact CD1-CH2 4.07Å; F731-W775 HydrophobicContact CD1-CZ2 4.01Å; F731-W775 AromaticContact CE1-CH2 3.84Å; F731-W775 HydrophobicContact CE1-CH2 3.84Å; F731-W775 HydrophobicContact CE1-CZ2 4.24Å; V746-W775 VanDerWaalsContact O-CZ2 3.26Å; V746-W775 WeakPolarHBondContact O-CZ2 3.28Å; W748-W775 HydrophobicContact CB-CE3 3.84Å; W748-W775 HydrophobicContact CB-CZ3 3.95Å; W748-W775 AromaticContact CE3-CE3 3.97Å; W748-W775 HydrophobicContact CE3-CE3 3.97Å; W748-W775 AromaticContact CE3-CZ3 3.99Å; W748-W775 HydrophobicContact CE3-CZ3 3.99Å; W748-W775 VanDerWaalsContact N-CZ3 3.33Å; L751-W775 HydrophobicContact CD1-CH2 4.06Å; L751-W775 HydrophobicContact CD1-CZ3 3.96Å; A773-W775 HydrophobicContact CB-CH2 4.18Å; A773-W775 HydrophobicContact CB-CZ2 3.84Å; A773-W775 PolarHBondContact O-N 3.02Å; A773-W775 VanDerWaalsContact O-N 3.14Å; W775-T777 VanDerWaalsContact C-N 3.29Å; W775-T777 PolarHBondContact O-N 2.95Å
776	M	89.9	Confident	89	Confident	2 Å²	2	28 Å²	28	1%	0.01	15%	0.151	C	C	.	.			trans	-85.8	68.7	-179.3	-166.9	178.9	72.3	0	0	110.6	F731 W748 I767 A769 A773 N778 L779 F781 N806	F731-M776 HydrophobicContact CE1-SD 4.44Å; F731-M776 HydrophobicContact CZ-SD 4.18Å; W748-M776 HydrophobicContact CZ3-CG 4.4Å; I767-M776 HydrophobicContact CG2-CE 3.95Å; A769-M776 HydrophobicContact CB-CE 3.72Å; A773-M776 HydrophobicContact CB-CB 3.83Å; A773-M776 WeakPolarHBondContact O-CB 3.44Å; A773-M776 PolarHBondContact O-N 3.13Å; M776-N778 VanDerWaalsContact C-N 3.27Å; M776-N778 PolarHBondContact O-N 3.48Å; M776-L779 HydrophobicContact CE-CD2 4.34Å; M776-L779 HydrophobicContact CG-CD2 4.32Å; M776-L779 HydrophobicContact SD-CD2 4.08Å; M776-F781 HydrophobicContact CG-CE1 4.37Å; M776-F781 HydrophobicContact SD-CE1 4.24Å; M776-F781 HydrophobicContact SD-CZ 4.4Å; M776-N806 HydrophobicContact CE-CB 4.36Å; M776-N806 WeakPolarHBondContact CE-OD1 3.29Å
777	T	92	Very high	88.7	Confident	46 Å²	46	26.2 Å²	26.2	28%	0.282	15%	0.146	S	C	.	.			trans	-76.3	-14	179.1	61	0	0	0	0	113.5	W775 H808 E810 F811	W775-T777 VanDerWaalsContact C-N 3.29Å; W775-T777 PolarHBondContact O-N 2.95Å; T777-H808 WeakPolarHBondContact CA-O 3.29Å; T777-E810 HydrophobicContact CG2-CG 4.49Å; T777-E810 PolarHBondContact O-N 3.1Å; T777-F811 PolarHBondContact O-N 2.8Å
778	N	93.2	Very high	88.4	Confident	18 Å²	18	26.2 Å²	26.2	10%	0.096	15%	0.146	C	C	.	.			trans	-156.1	174.3	178.6	65	90.7	0	0	0	111.4	W748 M776 T780 F811	W748-N778 WeakPolarHBondContact CH2-OD1 3.33Å; W748-N778 VanDerWaalsContact CZ3-O 3.27Å; W748-N778 WeakPolarHBondContact CZ3-O 3.47Å; M776-N778 VanDerWaalsContact C-N 3.27Å; M776-N778 PolarHBondContact O-N 3.48Å; N778-T780 VanDerWaalsContact OD1-CB 3.3Å; N778-T780 WeakPolarHBondContact OD1-CB 3.4Å; N778-T780 WeakPolarHBondContact OD1-CG2 3.32Å; N778-T780 PolarHBondContact OD1-N 3.4Å; N778-T780 VanDerWaalsContact OD1-N 3.1Å; N778-T780 PolarHBondContact OD1-OG1 3.03Å; N778-F811 VanDerWaalsContact CA-O 3.28Å; N778-F811 WeakPolarHBondContact CA-O 3.45Å; N778-F811 HydrophobicContact CB-CD1 3.91Å; N778-F811 HydrophobicContact CB-CD2 3.76Å; N778-F811 HydrophobicContact CB-CE1 3.66Å; N778-F811 HydrophobicContact CB-CE2 3.5Å; N778-F811 HydrophobicContact CB-CG 3.96Å; N778-F811 HydrophobicContact CB-CZ 3.45Å; N778-F811 VanDerWaalsContact CB-CZ 3.45Å
779	L	93.5	Very high	87.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.			trans	-114.1	32.4	178.7	-44.9	175.3	0	0	0	112.7	I767 M776 F781 L782 I803 L809 L812 M814	I767-L779 HydrophobicContact CD1-CD1 3.73Å; I767-L779 HydrophobicContact CD1-CD2 4.07Å; I767-L779 HydrophobicContact CD1-CG 4.49Å; I767-L779 HydrophobicContact CG2-CD2 4.49Å; M776-L779 HydrophobicContact CE-CD2 4.34Å; M776-L779 HydrophobicContact CG-CD2 4.32Å; M776-L779 HydrophobicContact SD-CD2 4.08Å; L779-F781 HydrophobicContact CB-CE1 4.19Å; L779-F781 HydrophobicContact CB-CZ 4.36Å; L779-F781 HydrophobicContact CD2-CE1 3.87Å; L779-F781 HydrophobicContact CD2-CZ 3.88Å; L779-F781 PolarHBondContact O-N 2.87Å; L779-F781 VanDerWaalsContact O-N 3.08Å; L779-L782 WeakPolarHBondContact O-CB 3.37Å; L779-L782 PolarHBondContact O-N 2.84Å; L779-I803 HydrophobicContact CD1-CD1 3.81Å; L779-I803 HydrophobicContact CD1-CG1 4.46Å; L779-L809 HydrophobicContact CD2-CD1 3.75Å; L779-L809 HydrophobicContact CD2-CD2 4.47Å; L779-L809 HydrophobicContact CG-CD1 3.94Å; L779-L809 HydrophobicContact CG-CD2 4.46Å; L779-L812 CarbonylContact C-O 3.55Å; L779-L812 VanDerWaalsContact CA-O 3.27Å; L779-L812 WeakPolarHBondContact CA-O 3.23Å; L779-L812 VanDerWaalsContact CB-O 3.23Å; L779-L812 WeakPolarHBondContact CB-O 3.48Å; L779-L812 HydrophobicContact CD1-CD2 4.06Å; L779-L812 PolarHBondContact N-O 2.89Å; L779-M814 HydrophobicContact CB-CG 4.47Å; L779-M814 HydrophobicContact CD1-SD 4.44Å
780	T	91	Very high	86.8	Confident	39 Å²	39	26.5 Å²	26.5	24%	0.239	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.9	-13.4	179.8	52	0	0	0	0	114.5	W748 N778 L782 S783 F811 F934	W748-T780 WeakPolarHBondContact CZ2-OG1 3.46Å; N778-T780 VanDerWaalsContact OD1-CB 3.3Å; N778-T780 WeakPolarHBondContact OD1-CB 3.4Å; N778-T780 WeakPolarHBondContact OD1-CG2 3.32Å; N778-T780 PolarHBondContact OD1-N 3.4Å; N778-T780 VanDerWaalsContact OD1-N 3.1Å; N778-T780 PolarHBondContact OD1-OG1 3.03Å; T780-L782 PolarHBondContact O-N 2.83Å; T780-L782 VanDerWaalsContact O-N 3.13Å; T780-S783 VanDerWaalsContact O-CB 3.24Å; T780-S783 WeakPolarHBondContact O-CB 3.48Å; T780-S783 PolarHBondContact O-N 2.99Å; T780-S783 PolarHBondContact O-OG 3.12Å; T780-F811 HydrophobicContact CG2-CE2 4.11Å; T780-F934 HydrophobicContact CG2-CE1 3.84Å; T780-F934 HydrophobicContact CG2-CZ 4.31Å
781	F	89.6	Confident	85.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.6	-9	165.3	64	-94.1	0	0	0	113.7	L726 W748 L751 I752 L755 S756 M776 L779	L726-F781 HydrophobicContact CD1-CE2 4.01Å; L726-F781 HydrophobicContact CD1-CZ 4.16Å; W748-F781 HydrophobicContact CE3-CD1 4.32Å; W748-F781 AromaticContact CH2-CD1 3.82Å; W748-F781 HydrophobicContact CH2-CD1 3.82Å; W748-F781 AromaticContact CZ3-CD1 3.71Å; W748-F781 HydrophobicContact CZ3-CD1 3.71Å; W748-F781 HydrophobicContact CZ3-CE1 4.09Å; L751-F781 HydrophobicContact CB-CB 4.13Å; L751-F781 HydrophobicContact CB-CD1 4.22Å; L751-F781 HydrophobicContact CB-CD2 3.89Å; L751-F781 HydrophobicContact CB-CE2 4.35Å; L751-F781 HydrophobicContact CB-CG 3.83Å; L751-F781 HydrophobicContact CD1-CD1 4.1Å; L751-F781 HydrophobicContact CD1-CE1 3.82Å; L751-F781 HydrophobicContact CD1-CE2 4.3Å; L751-F781 HydrophobicContact CD1-CG 4.46Å; L751-F781 HydrophobicContact CD1-CZ 3.93Å; L751-F781 HydrophobicContact CD2-CD2 4.39Å; L751-F781 HydrophobicContact CD2-CE2 4.08Å; L751-F781 HydrophobicContact CD2-CZ 4.41Å; L751-F781 HydrophobicContact CG-CE2 4.48Å; I752-F781 HydrophobicContact CD1-CB 3.74Å; I752-F781 HydrophobicContact CG1-CB 4.33Å; L755-F781 CarbonylContact C-O 3.6Å; L755-F781 VanDerWaalsContact C-O 3.31Å; L755-F781 HydrophobicContact CB-CD2 4.18Å; L755-F781 HydrophobicContact CD1-CD2 3.72Å; L755-F781 HydrophobicContact CD1-CE2 3.78Å; S756-F781 WeakPolarHBondContact CA-O 3.42Å; S756-F781 PolarHBondContact N-O 2.88Å; M776-F781 HydrophobicContact CG-CE1 4.37Å; M776-F781 HydrophobicContact SD-CE1 4.24Å; M776-F781 HydrophobicContact SD-CZ 4.4Å; L779-F781 HydrophobicContact CB-CE1 4.19Å; L779-F781 HydrophobicContact CB-CZ 4.36Å; L779-F781 HydrophobicContact CD2-CE1 3.87Å; L779-F781 HydrophobicContact CD2-CZ 3.88Å; L779-F781 PolarHBondContact O-N 2.87Å; L779-F781 VanDerWaalsContact O-N 3.08Å
782	L	92.2	Very high	84.8	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-111.2	19.5	169.6	-55.6	178.6	0	0	0	112.5	L755 L765 I767 L779 T780 N784 V785 M814	L755-L782 HydrophobicContact CB-CD2 3.98Å; L755-L782 HydrophobicContact CD1-CD2 4.16Å; L765-L782 HydrophobicContact CD1-CD1 4.16Å; L765-L782 HydrophobicContact CD2-CD1 3.81Å; I767-L782 HydrophobicContact CD1-CD1 4.09Å; L779-L782 WeakPolarHBondContact O-CB 3.37Å; L779-L782 PolarHBondContact O-N 2.84Å; T780-L782 PolarHBondContact O-N 2.83Å; T780-L782 VanDerWaalsContact O-N 3.13Å; L782-N784 PolarHBondContact O-N 3.21Å; L782-N784 VanDerWaalsContact O-N 3.09Å; L782-V785 HydrophobicContact CB-CG2 3.95Å; L782-V785 HydrophobicContact CD2-CG2 4.03Å; L782-V785 PolarHBondContact O-N 2.87Å; L782-V785 VanDerWaalsContact O-N 3.14Å; L782-M814 HydrophobicContact CB-CE 4.16Å; L782-M814 HydrophobicContact CB-CG 4.22Å; L782-M814 HydrophobicContact CD1-CE 4.1Å; L782-M814 HydrophobicContact CD1-SD 4.46Å
783	S	88.3	Confident	83.3	Confident	13 Å²	13	30.3 Å²	30.3	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.3	-177.9	61	0	0	0	0	112.9	T780 T815 S816 N948	T780-S783 VanDerWaalsContact O-CB 3.24Å; T780-S783 WeakPolarHBondContact O-CB 3.48Å; T780-S783 PolarHBondContact O-N 2.99Å; T780-S783 PolarHBondContact O-OG 3.12Å; S783-T815 PolarHBondContact O-N 3.5Å; S783-T815 PolarHBondContact O-OG1 2.72Å; S783-T815 VanDerWaalsContact O-OG1 3.08Å; S783-S816 WeakPolarHBondContact O-CB 3.47Å; S783-S816 PolarHBondContact O-N 2.86Å; S783-S816 PolarHBondContact O-OG 3.14Å; S783-N948 PolarHBondContact OG-O 3.48Å
784	N	85.8	Confident	81.6	Confident	24 Å²	24	35.2 Å²	35.2	13%	0.128	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5	-173.9	-69.1	-37.6	0	0	0	115.1	S756 L758 E759 L782 K786 N948 G949	S756-N784 PolarHBondContact O-ND2 3.09Å; L758-N784 CarbonylContact O-C 3.56Å; L758-N784 VanDerWaalsContact O-C 3.27Å; E759-N784 WeakPolarHBondContact CA-O 3.44Å; L782-N784 PolarHBondContact O-N 3.21Å; L782-N784 VanDerWaalsContact O-N 3.09Å; N784-K786 PolarHBondContact O-N 3.14Å; N784-K786 VanDerWaalsContact O-N 3.16Å; N784-N948 PolarHBondContact OD1-O 3.48Å; N784-G949 VanDerWaalsContact OD1-CA 3.23Å; N784-G949 WeakPolarHBondContact OD1-CA 3.4Å
785	V	90.2	Very high	79.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.			trans	-70.7	112.7	-178.7	177.6	0	0	0	0	110.1	L758 I761 L782 I788 S816 L817	L758-V785 HydrophobicContact CB-CG2 4.48Å; L758-V785 HydrophobicContact CD2-CG2 4.43Å; L758-V785 HydrophobicContact CG-CG2 4.46Å; L758-V785 WeakPolarHBondContact O-CA 3.43Å; L758-V785 WeakPolarHBondContact O-CG2 3.31Å; L758-V785 PolarHBondContact O-N 2.03Å; I761-V785 HydrophobicContact CD1-CG1 4.2Å; I761-V785 HydrophobicContact CG1-CG1 4.47Å; L782-V785 HydrophobicContact CB-CG2 3.95Å; L782-V785 HydrophobicContact CD2-CG2 4.03Å; L782-V785 PolarHBondContact O-N 2.87Å; L782-V785 VanDerWaalsContact O-N 3.14Å; V785-I788 HydrophobicContact CG1-CD1 4.32Å; V785-I788 HydrophobicContact CG1-CG1 3.85Å; V785-S816 CarbonylContact O-C 3.58Å; V785-L817 WeakPolarHBondContact O-CA 3.41Å; V785-L817 PolarHBondContact O-N 3.41Å
786	K	87.2	Confident	78	Confident	48 Å²	48	43.7 Å²	43.7	21%	0.209	24%	0.238	C	C	.	.			trans	-89.3	-40.5	-178.1	-63.2	168.2	-166.4	171.2	0	112.5	E759 N784 S816 Q818 K819	E759-K786 HydrophobicContact CB-CD 4.3Å; E759-K786 VanDerWaalsContact CD-CE 3.49Å; E759-K786 PolarHBondContact O-N 3.18Å; E759-K786 WeakPolarHBondContact OE1-CE 3.01Å; E759-K786 IonicContact OE1-NZ 3.3Å; E759-K786 PolarHBondContact OE1-NZ 2.91Å; E759-K786 IonicContact OE2-NZ 3.83Å; E759-K786 PolarHBondContact OE2-NZ 3.37Å; N784-K786 PolarHBondContact O-N 3.14Å; N784-K786 VanDerWaalsContact O-N 3.16Å; K786-S816 WeakPolarHBondContact CA-O 3.38Å; K786-Q818 PolarHBondContact O-N 3.15Å; K786-K819 PolarHBondContact O-N 2.92Å
787	I	85.4	Confident	76.1	Confident	32 Å²	32	52.3 Å²	52.3	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.9	-174.9	-49.9	-172.7	0	0	0	111.7	E759 Y760 I761 K819 F850	E759-I787 PolarHBondContact O-N 3.17Å; Y760-I787 HydrophobicContact CD1-CB 3.97Å; Y760-I787 HydrophobicContact CD1-CD1 4.08Å; Y760-I787 HydrophobicContact CD1-CG1 4.02Å; Y760-I787 HydrophobicContact CE1-CB 4.4Å; Y760-I787 HydrophobicContact CE1-CD1 3.76Å; Y760-I787 HydrophobicContact CE1-CG1 3.93Å; I761-I787 PolarHBondContact N-O 2.94Å; I787-K819 WeakPolarHBondContact CA-O 3.28Å; I787-K819 HydrophobicContact CG1-CB 4.28Å; I787-K819 HydrophobicContact CG2-CB 4.34Å; I787-F850 HydrophobicContact CD1-CE2 4.26Å; I787-F850 HydrophobicContact CG2-CE2 3.92Å; I787-F850 HydrophobicContact CG2-CZ 3.7Å
788	I	88.6	Confident	74.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	109.5	169.7	-52.3	175.6	0	0	0	108.2	I761 L765 V785 T800 V801 M814 L817 K819 L820 G821	I761-I788 HydrophobicContact CB-CG2 4.4Å; I761-I788 HydrophobicContact CD1-CG1 4.35Å; I761-I788 HydrophobicContact CG2-CG2 4.42Å; L765-I788 HydrophobicContact CB-CD1 4.07Å; L765-I788 HydrophobicContact CB-CG2 4.28Å; L765-I788 HydrophobicContact CD2-CD1 3.75Å; V785-I788 HydrophobicContact CG1-CD1 4.32Å; V785-I788 HydrophobicContact CG1-CG1 3.85Å; I788-T800 HydrophobicContact CG2-CG2 4.13Å; I788-V801 HydrophobicContact CD1-CG2 3.8Å; I788-M814 HydrophobicContact CD1-CE 4.13Å; I788-L817 HydrophobicContact CD1-CD1 4.14Å; I788-L817 HydrophobicContact CG1-CD1 4.1Å; I788-K819 PolarHBondContact N-O 3.21Å; I788-L820 HydrophobicContact CB-CD2 3.96Å; I788-L820 HydrophobicContact CD1-CD2 4.19Å; I788-L820 HydrophobicContact CG1-CD2 4.35Å; I788-G821 PolarHBondContact O-N 2.84Å
789	G	75.5	Confident	73.1	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.021	29%	0.291	C	S	.	.			trans	-76	-26.8	-165.6	0	0	0	0	0	115.5	I761 T762 I791 G821	I761-G789 PolarHBondContact O-N 3.02Å; T762-G789 CarbonylContact O-C 3.32Å; T762-G789 VanDerWaalsContact O-CA 3.3Å; T762-G789 WeakPolarHBondContact O-CA 3.49Å; G789-I791 VanDerWaalsContact C-N 3.29Å; G789-I791 PolarHBondContact O-N 2.78Å; G789-G821 CarbonylContact O-C 3.56Å; G789-G821 WeakPolarHBondContact O-CA 3.43Å
790	G	70.7	Confident	72.5	Confident	15 Å²	15	55.8 Å²	55.8	16%	0.155	29%	0.292	C	S	.	.			trans	76.1	7.4	178.2	0	0	0	0	0	115.6	T762 G763 S792	T762-G790 PolarHBondContact O-N 2.88Å; G763-G790 WeakPolarHBondContact O-CA 3.47Å; G763-G790 PolarHBondContact O-N 2.94Å; G790-S792 PolarHBondContact O-N 3.33Å
791	I	65.9	Low	72.3	Confident	105 Å²	105	54.1 Å²	54.1	54%	0.538	28%	0.281	S	S	.	.			trans	-96.6	81	-176.6	-51.9	179.7	0	0	0	109.6	T762 G789	T762-I791 PolarHBondContact O-N 3.19Å; G789-I791 VanDerWaalsContact C-N 3.29Å; G789-I791 PolarHBondContact O-N 2.78Å
792	S	61.9	Low	72.4	Confident	25 Å²	25	55.3 Å²	55.3	18%	0.175	29%	0.288	C	S	.	.			trans	-71.3	136.1	171.2	-178.5	0	0	0	0	111	D723 G790 N794	D723-S792 VanDerWaalsContact OD1-CB 3.29Å; D723-S792 WeakPolarHBondContact OD1-CB 3.04Å; D723-S792 PolarHBondContact OD1-OG 3.37Å; D723-S792 VanDerWaalsContact OD2-CB 3.26Å; D723-S792 WeakPolarHBondContact OD2-CB 3.41Å; D723-S792 PolarHBondContact OD2-OG 2.95Å; G790-S792 PolarHBondContact O-N 3.33Å; S792-N794 PolarHBondContact O-N 3.21Å; S792-N794 PolarHBondContact OG-N 3.39Å; S792-N794 PolarHBondContact OG-O 2.81Å
793	P	51.9	Low	72.4	Confident	104 Å²	104	55.3 Å²	55.3	68%	0.675	29%	0.288	S	S	*	.	S	Bend	trans	-65.1	-18.5	166.5	-20.9	33.6	0	0	0	113.8
794	N	51.4	Low	72.6	Confident	106 Å²	106	55.5 Å²	55.5	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	-122.4	122.2	-164.6	-72.6	-44.4	0	0	0	113.3	S792	S792-N794 PolarHBondContact O-N 3.21Å; S792-N794 PolarHBondContact OG-N 3.39Å; S792-N794 PolarHBondContact OG-O 2.81Å
795	I	49	Very low	72.7	Confident	157 Å²	157	58.8 Å²	58.8	81%	0.805	31%	0.305	S	S	*	.			trans	73.2	153.7	160.4	-54.9	170.6	0	0	0	115.1
796	Q	44.4	Very low	72.9	Confident	181 Å²	181	58.9 Å²	58.9	85%	0.846	31%	0.305	S	S	*	.	S	Bend	trans	-86.5	145.1	-178	-59.1	175.7	7.4	0	0	110.8
797	Q	49.7	Very low	73	Confident	183 Å²	183	60.8 Å²	60.8	86%	0.855	32%	0.315	S	S	*	.	S	Bend	trans	74.9	32	-178.6	-49.9	-174.4	-9.1	0	0	116.9
798	T	53.2	Low	73.3	Confident	55 Å²	55	61.3 Å²	61.3	34%	0.337	32%	0.316	S	S	.	.			trans	-69.1	146.1	165.2	55.4	0	0	0	0	111.1
799	R	70.7	Confident	73.6	Confident	80 Å²	80	61.3 Å²	61.3	30%	0.302	32%	0.316	S	S	.	.			trans	-105.8	136.2	173.8	-56.5	-164.9	-174.4	-144.9	6.1	109.1	T764 V801 N802 S824 L825	T764-R799 VanDerWaalsContact CB-O 3.3Å; T764-R799 WeakPolarHBondContact CB-O 3.32Å; T764-R799 VanDerWaalsContact CG2-O 3.31Å; T764-R799 WeakPolarHBondContact CG2-O 3.33Å; R799-V801 VanDerWaalsContact C-N 3.27Å; R799-V801 PolarHBondContact O-N 2.79Å; R799-N802 HydrophobicContact CB-CB 4.47Å; R799-S824 WeakPolarHBondContact CG-OG 3.44Å; R799-L825 PolarHBondContact NH1-O 3.36Å
800	T	79.5	Confident	74.5	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.012	33%	0.332	C	S	.	.	S	Bend	trans	-52.8	-44.3	-178	-40.8	0	0	0	0	112.3	T764 L765 I788 L820 H822 S824	T764-T800 WeakPolarHBondContact CA-O 3.47Å; L765-T800 PolarHBondContact N-O 2.87Å; I788-T800 HydrophobicContact CG2-CG2 4.13Å; T800-L820 HydrophobicContact CG2-CB 4.37Å; T800-L820 HydrophobicContact CG2-CD2 4.33Å; T800-H822 WeakPolarHBondContact CB-O 3.39Å; T800-H822 WeakPolarHBondContact OG1-CB 3.1Å; T800-H822 PolarHBondContact OG1-O 2.63Å; T800-S824 VanDerWaalsContact CB-O 3.29Å; T800-S824 WeakPolarHBondContact CB-O 3.21Å; T800-S824 PolarHBondContact N-O 2.56Å; T800-S824 PolarHBondContact OG1-O 3.04Å
801	V	88.2	Confident	75.6	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.1	173.7	-178.5	0	0	0	0	108.9	L765 I788 R799 I803 L820 L825 L826	L765-V801 CarbonylContact O-C 3.59Å; L765-V801 WeakPolarHBondContact O-CA 3.33Å; I788-V801 HydrophobicContact CD1-CG2 3.8Å; R799-V801 VanDerWaalsContact C-N 3.27Å; R799-V801 PolarHBondContact O-N 2.79Å; V801-I803 HydrophobicContact CG1-CD1 3.75Å; V801-I803 HydrophobicContact CG1-CG1 3.86Å; V801-L820 HydrophobicContact CG2-CD2 3.74Å; V801-L825 HydrophobicContact CB-CD1 3.88Å; V801-L825 HydrophobicContact CB-CG 4.31Å; V801-L825 HydrophobicContact CG1-CD1 4.43Å; V801-L825 HydrophobicContact CG2-CD1 4.24Å; V801-L825 CarbonylContact O-C 3.57Å; V801-L825 WeakPolarHBondContact O-CA 3.25Å; V801-L826 PolarHBondContact O-N 3.34Å
802	N	90.7	Very high	76.9	Confident	25 Å²	25	60.5 Å²	60.5	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	90.2	-179.3	-171.6	-1.2	0	0	0	110.7	L765 Y766 I767 R799 N804 L826	L765-N802 PolarHBondContact O-N 3.1Å; Y766-N802 WeakPolarHBondContact CA-O 3.23Å; Y766-N802 HydrophobicContact CD2-CB 4.06Å; Y766-N802 WeakPolarHBondContact CD2-ND2 3.35Å; I767-N802 PolarHBondContact N-O 2.96Å; R799-N802 HydrophobicContact CB-CB 4.47Å; N802-N804 PolarHBondContact OD1-ND2 3.33Å; N802-L826 CarbonylContact C-O 3.58Å; N802-L826 WeakPolarHBondContact CA-O 3.14Å; N802-L826 WeakPolarHBondContact OD1-CD2 3Å
803	I	92.7	Very high	78.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	95	-179	-59.2	167.4	0	0	0	107.8	I767 L779 V801 L809 L812 L826 I827 T828 N830	I767-I803 HydrophobicContact CB-CG1 4.37Å; I767-I803 HydrophobicContact CD1-CG1 4.43Å; I767-I803 WeakPolarHBondContact O-CA 3.24Å; L779-I803 HydrophobicContact CD1-CD1 3.81Å; L779-I803 HydrophobicContact CD1-CG1 4.46Å; V801-I803 HydrophobicContact CG1-CD1 3.75Å; V801-I803 HydrophobicContact CG1-CG1 3.86Å; I803-L809 HydrophobicContact CG2-CD2 3.77Å; I803-L812 HydrophobicContact CD1-CD2 4.02Å; I803-L826 PolarHBondContact N-O 3.2Å; I803-I827 HydrophobicContact CB-CG1 4.44Å; I803-I827 WeakPolarHBondContact O-CA 3.24Å; I803-T828 PolarHBondContact O-N 3Å; I803-N830 PolarHBondContact O-ND2 3.23Å
804	N	91.1	Very high	80	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.091	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.9	-173	72.2	71.5	0	0	0	114.3	I767 S768 N802 N806 T828	I767-N804 PolarHBondContact O-N 3.45Å; S768-N804 VanDerWaalsContact CA-O 3.28Å; S768-N804 WeakPolarHBondContact CA-O 3.49Å; S768-N804 WeakPolarHBondContact CB-OD1 3.44Å; S768-N804 PolarHBondContact OG-O 3.05Å; S768-N804 PolarHBondContact OG-OD1 2.67Å; N802-N804 PolarHBondContact OD1-ND2 3.33Å; N804-N806 VanDerWaalsContact C-N 3.25Å; N804-N806 PolarHBondContact N-ND2 2.69Å; N804-N806 PolarHBondContact O-N 3.04Å; N804-N806 PolarHBondContact O-ND2 3.41Å; N804-T828 CarbonylContact C-O 3.59Å; N804-T828 WeakPolarHBondContact CA-O 3.5Å; N804-T828 HydrophobicContact CB-CG2 4.15Å
805	L	89.8	Confident	81.6	Confident	92 Å²	92	50.8 Å²	50.8	48%	0.482	25%	0.247	S	C	.	.			trans	60	23.8	171.3	-56.4	174.1	0	0	0	115.2	G770 H807 T828 G829	G770-L805 CarbonylContact C-O 3.59Å; G770-L805 WeakPolarHBondContact CA-O 3.39Å; G770-L805 PolarHBondContact N-O 3.19Å; L805-H807 PolarHBondContact O-CD2 2.63Å; L805-H807 PolarHBondContact O-N 3.45Å; L805-T828 PolarHBondContact N-O 3.17Å; L805-G829 CarbonylContact C-O 3.41Å; L805-G829 VanDerWaalsContact CA-O 3.27Å; L805-G829 WeakPolarHBondContact CA-O 3.49Å
806	N	92.6	Very high	83.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	21%	0.214	C	C	.	.			trans	-88.4	95.4	-179.9	-53.5	-76.5	0	0	0	109.9	I767 A769 M776 N804 H808 L809 N830	I767-N806 PolarHBondContact O-ND2 3.34Å; A769-N806 WeakPolarHBondContact CB-OD1 3.48Å; A769-N806 PolarHBondContact N-OD1 3.31Å; M776-N806 HydrophobicContact CE-CB 4.36Å; M776-N806 WeakPolarHBondContact CE-OD1 3.29Å; N804-N806 VanDerWaalsContact C-N 3.25Å; N804-N806 PolarHBondContact N-ND2 2.69Å; N804-N806 PolarHBondContact O-N 3.04Å; N804-N806 PolarHBondContact O-ND2 3.41Å; N806-H808 PolarHBondContact O-N 2.84Å; N806-H808 VanDerWaalsContact O-N 3.1Å; N806-L809 HydrophobicContact CB-CB 3.74Å; N806-L809 HydrophobicContact CB-CD2 4.16Å; N806-L809 PolarHBondContact O-N 3.13Å; N806-N830 VanDerWaalsContact CB-OD1 3.3Å; N806-N830 WeakPolarHBondContact CB-OD1 3.48Å; N806-N830 PolarHBondContact N-OD1 3.24Å; N806-N830 PolarHBondContact ND2-OD1 3.28Å
807	H	90.4	Very high	85.3	Confident	87 Å²	87	36.1 Å²	36.1	40%	0.403	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	-169.4	-73.3	-166.9	0	0	0	114.9	G770 L805	G770-H807 PolarHBondContact O-N 3.12Å; L805-H807 PolarHBondContact O-CD2 2.63Å; L805-H807 PolarHBondContact O-N 3.45Å
808	H	92.5	Very high	86.8	Confident	43 Å²	43	33.8 Å²	33.8	20%	0.199	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-1.7	-173.1	-63.5	-101	0	0	0	113.7	T777 N806 E810	T777-H808 WeakPolarHBondContact CA-O 3.29Å; N806-H808 PolarHBondContact O-N 2.84Å; N806-H808 VanDerWaalsContact O-N 3.1Å; H808-E810 VanDerWaalsContact O-CG 3.26Å; H808-E810 WeakPolarHBondContact O-CG 3.43Å
809	L	94.3	Very high	88.1	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.			trans	-76.1	124.9	-176	-169	70	0	0	0	110.6	L779 I803 N806 L812 R832 L833	L779-L809 HydrophobicContact CD2-CD1 3.75Å; L779-L809 HydrophobicContact CD2-CD2 4.47Å; L779-L809 HydrophobicContact CG-CD1 3.94Å; L779-L809 HydrophobicContact CG-CD2 4.46Å; I803-L809 HydrophobicContact CG2-CD2 3.77Å; N806-L809 HydrophobicContact CB-CB 3.74Å; N806-L809 HydrophobicContact CB-CD2 4.16Å; N806-L809 PolarHBondContact O-N 3.13Å; L809-L812 HydrophobicContact CD2-CD2 4.39Å; L809-R832 CarbonylContact O-C 3.52Å; L809-R832 VanDerWaalsContact O-C 3.25Å; L809-R832 WeakPolarHBondContact O-CB 3.48Å; L809-L833 HydrophobicContact CD2-CD1 4.4Å; L809-L833 HydrophobicContact CD2-CD2 4.13Å; L809-L833 HydrophobicContact CG-CD1 4.25Å; L809-L833 WeakPolarHBondContact O-CA 3.02Å; L809-L833 WeakPolarHBondContact O-CB 3.35Å; L809-L833 PolarHBondContact O-N 2.91Å
810	E	93.8	Very high	88.7	Confident	74 Å²	74	29.5 Å²	29.5	35%	0.346	15%	0.145	S	C	.	.			trans	-113.6	-31.3	-170.1	-47.1	-163.4	147.9	0	0	112.6	T777 H808 R832 C834	T777-E810 HydrophobicContact CG2-CG 4.49Å; T777-E810 PolarHBondContact O-N 3.1Å; H808-E810 VanDerWaalsContact O-CG 3.26Å; H808-E810 WeakPolarHBondContact O-CG 3.43Å; E810-R832 HydrophobicContact CG-CB 4.01Å; E810-R832 VanDerWaalsContact OE1-CD 3.29Å; E810-R832 WeakPolarHBondContact OE1-CD 3.34Å; E810-R832 IonicContact OE1-CZ 2.86Å; E810-R832 IonicContact OE1-NH1 2.64Å; E810-R832 PolarHBondContact OE1-NH1 2.63Å; E810-C834 PolarHBondContact O-N 3.36Å
811	F	94.3	Very high	88.1	Confident	30 Å²	30	30.9 Å²	30.9	13%	0.132	16%	0.16	C	C	.	.			trans	-148.7	168.9	170.1	65.1	-85.9	0	0	0	111.6	T777 N778 T780 Y835 P930 F934	T777-F811 PolarHBondContact O-N 2.8Å; N778-F811 VanDerWaalsContact CA-O 3.28Å; N778-F811 WeakPolarHBondContact CA-O 3.45Å; N778-F811 HydrophobicContact CB-CD1 3.91Å; N778-F811 HydrophobicContact CB-CD2 3.76Å; N778-F811 HydrophobicContact CB-CE1 3.66Å; N778-F811 HydrophobicContact CB-CE2 3.5Å; N778-F811 HydrophobicContact CB-CG 3.96Å; N778-F811 HydrophobicContact CB-CZ 3.45Å; N778-F811 VanDerWaalsContact CB-CZ 3.45Å; T780-F811 HydrophobicContact CG2-CE2 4.11Å; F811-Y835 HydrophobicContact CB-CD2 3.53Å; F811-Y835 HydrophobicContact CB-CE2 3.88Å; F811-P930 HydrophobicContact CE1-CG 4.46Å; F811-F934 AromaticContact CE2-CE1 3.91Å; F811-F934 HydrophobicContact CE2-CE1 3.91Å; F811-F934 HydrophobicContact CE2-CE2 4.36Å; F811-F934 AromaticContact CE2-CZ 3.77Å; F811-F934 HydrophobicContact CE2-CZ 3.77Å; F811-F934 HydrophobicContact CZ-CZ 4.24Å
812	L	93.1	Very high	87.2	Confident	2 Å²	2	35 Å²	35	1%	0.01	18%	0.179	C	C	.	.			trans	-88	-51.7	-178.3	-66.7	-179.1	0	0	0	112.5	L779 I803 L809 M814 I827 L833 V836 W841 W928	L779-L812 CarbonylContact C-O 3.55Å; L779-L812 VanDerWaalsContact CA-O 3.27Å; L779-L812 WeakPolarHBondContact CA-O 3.23Å; L779-L812 VanDerWaalsContact CB-O 3.23Å; L779-L812 WeakPolarHBondContact CB-O 3.48Å; L779-L812 HydrophobicContact CD1-CD2 4.06Å; L779-L812 PolarHBondContact N-O 2.89Å; I803-L812 HydrophobicContact CD1-CD2 4.02Å; L809-L812 HydrophobicContact CD2-CD2 4.39Å; L812-M814 VanDerWaalsContact C-N 3.29Å; L812-M814 PolarHBondContact O-N 2.77Å; L812-I827 HydrophobicContact CD1-CD1 4.21Å; L812-L833 HydrophobicContact CD2-CD1 4.16Å; L812-L833 HydrophobicContact CD2-CD2 4.25Å; L812-L833 HydrophobicContact CG-CD1 4.28Å; L812-V836 HydrophobicContact CD1-CG2 4.04Å; L812-V836 HydrophobicContact CG-CG2 4.12Å; L812-W841 HydrophobicContact CD1-CH2 3.92Å; L812-W841 HydrophobicContact CD1-CZ2 3.95Å; L812-W928 HydrophobicContact CB-CE3 4.04Å; L812-W928 HydrophobicContact CD1-CE3 4.14Å; L812-W928 HydrophobicContact CD1-CZ3 3.97Å; L812-W928 PolarHBondContact N-O 2.88Å
813	G	89.1	Confident	86	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.			trans	71.7	12.6	178.8	0	0	0	0	0	116.2	T815 W928	G813-T815 PolarHBondContact O-N 3.36Å; G813-W928 PolarHBondContact N-O 3.04Å
814	M	89.4	Confident	85	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.025	19%	0.192	C	C	.	.			trans	-80.3	62	-179.6	-62.7	-177.5	69.3	0	0	112.2	L765 L779 L782 I788 L812 S816 L817 W928	L765-M814 HydrophobicContact CD2-CE 3.9Å; L779-M814 HydrophobicContact CB-CG 4.47Å; L779-M814 HydrophobicContact CD1-SD 4.44Å; L782-M814 HydrophobicContact CB-CE 4.16Å; L782-M814 HydrophobicContact CB-CG 4.22Å; L782-M814 HydrophobicContact CD1-CE 4.1Å; L782-M814 HydrophobicContact CD1-SD 4.46Å; I788-M814 HydrophobicContact CD1-CE 4.13Å; L812-M814 VanDerWaalsContact C-N 3.29Å; L812-M814 PolarHBondContact O-N 2.77Å; M814-S816 VanDerWaalsContact C-N 3.32Å; M814-S816 PolarHBondContact O-N 3.25Å; M814-L817 HydrophobicContact CB-CB 4.39Å; M814-L817 HydrophobicContact CE-CD2 4.21Å; M814-L817 WeakPolarHBondContact O-CB 3Å; M814-L817 PolarHBondContact O-N 2.8Å; M814-W928 HydrophobicContact CB-CE3 4.22Å; M814-W928 HydrophobicContact CB-CZ3 4.39Å; M814-W928 VanDerWaalsContact O-CE2 3.31Å; M814-W928 PolarHBondContact O-NE1 2.95Å
815	T	85.3	Confident	84.7	Confident	26 Å²	26	36.2 Å²	36.2	16%	0.16	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.2	-164.9	44.5	0	0	0	0	116.2	S783 G813 F934	S783-T815 PolarHBondContact O-N 3.5Å; S783-T815 PolarHBondContact O-OG1 2.72Å; S783-T815 VanDerWaalsContact O-OG1 3.08Å; G813-T815 PolarHBondContact O-N 3.36Å; T815-F934 HydrophobicContact CG2-CD1 3.64Å; T815-F934 HydrophobicContact CG2-CE1 4.34Å
816	S	83.5	Confident	84.6	Confident	18 Å²	18	33 Å²	33	13%	0.126	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.5	-176.8	-56.4	0	0	0	0	114.7	S783 V785 K786 M814 Q818 G949	S783-S816 WeakPolarHBondContact O-CB 3.47Å; S783-S816 PolarHBondContact O-N 2.86Å; S783-S816 PolarHBondContact O-OG 3.14Å; V785-S816 CarbonylContact O-C 3.58Å; K786-S816 WeakPolarHBondContact CA-O 3.38Å; M814-S816 VanDerWaalsContact C-N 3.32Å; M814-S816 PolarHBondContact O-N 3.25Å; S816-Q818 WeakPolarHBondContact O-CG 3.26Å; S816-Q818 PolarHBondContact O-N 2.92Å; S816-Q818 VanDerWaalsContact O-N 3.17Å; S816-G949 PolarHBondContact OG-O 3.34Å
817	L	87.6	Confident	84.5	Confident	12 Å²	12	32.9 Å²	32.9	6%	0.063	17%	0.171	C	C	.	.			trans	-67.2	114.7	-171.2	-174.6	63.7	0	0	0	112.1	V785 I788 M814 L820 L844 W928	V785-L817 WeakPolarHBondContact O-CA 3.41Å; V785-L817 PolarHBondContact O-N 3.41Å; I788-L817 HydrophobicContact CD1-CD1 4.14Å; I788-L817 HydrophobicContact CG1-CD1 4.1Å; M814-L817 HydrophobicContact CB-CB 4.39Å; M814-L817 HydrophobicContact CE-CD2 4.21Å; M814-L817 WeakPolarHBondContact O-CB 3Å; M814-L817 PolarHBondContact O-N 2.8Å; L817-L820 HydrophobicContact CD1-CD2 4.25Å; L817-L820 HydrophobicContact CD2-CD2 4.33Å; L817-L844 HydrophobicContact CD2-CD1 4.49Å; L817-L844 WeakPolarHBondContact O-CD2 3.39Å; L817-W928 HydrophobicContact CB-CH2 4.17Å; L817-W928 HydrophobicContact CB-CZ2 3.95Å; L817-W928 HydrophobicContact CD2-CH2 3.86Å; L817-W928 HydrophobicContact CD2-CZ2 4.47Å; L817-W928 HydrophobicContact CD2-CZ3 4.5Å; L817-W928 HydrophobicContact CG-CH2 4.44Å
818	Q	81.9	Confident	84.6	Confident	133 Å²	133	30.5 Å²	30.5	62%	0.621	16%	0.163	S	C	*	.			trans	-114.2	-33.7	-172.9	-75	162.2	29.9	0	0	113.7	K786 S816 L844	K786-Q818 PolarHBondContact O-N 3.15Å; S816-Q818 WeakPolarHBondContact O-CG 3.26Å; S816-Q818 PolarHBondContact O-N 2.92Å; S816-Q818 VanDerWaalsContact O-N 3.17Å; Q818-L844 WeakPolarHBondContact O-CD2 3.28Å
819	K	80.5	Confident	84.4	Confident	39 Å²	39	29.6 Å²	29.6	17%	0.17	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	135.9	-174.8	-173.6	158.9	178.3	155.8	0	113.6	K786 I787 I788 N846 D847 F850	K786-K819 PolarHBondContact O-N 2.92Å; I787-K819 WeakPolarHBondContact CA-O 3.28Å; I787-K819 HydrophobicContact CG1-CB 4.28Å; I787-K819 HydrophobicContact CG2-CB 4.34Å; I788-K819 PolarHBondContact N-O 3.21Å; K819-N846 WeakPolarHBondContact CE-O 3.23Å; K819-N846 PolarHBondContact NZ-O 3.05Å; K819-D847 PolarHBondContact NZ-O 3.48Å; K819-F850 HydrophobicContact CD-CD2 4.49Å
820	L	81.8	Confident	84.4	Confident	7 Å²	7	29.6 Å²	29.6	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.4	169.8	-64.6	178.4	0	0	0	109.1	I788 T800 V801 L817 H822 L825 W841 L844 L845	I788-L820 HydrophobicContact CB-CD2 3.96Å; I788-L820 HydrophobicContact CD1-CD2 4.19Å; I788-L820 HydrophobicContact CG1-CD2 4.35Å; T800-L820 HydrophobicContact CG2-CB 4.37Å; T800-L820 HydrophobicContact CG2-CD2 4.33Å; V801-L820 HydrophobicContact CG2-CD2 3.74Å; L817-L820 HydrophobicContact CD1-CD2 4.25Å; L817-L820 HydrophobicContact CD2-CD2 4.33Å; L820-H822 VanDerWaalsContact C-N 3.29Å; L820-H822 PolarHBondContact O-N 2.76Å; L820-L825 HydrophobicContact CD1-CD1 3.7Å; L820-W841 HydrophobicContact CD1-CE3 4.46Å; L820-L844 HydrophobicContact CD1-CB 4.37Å; L820-L844 HydrophobicContact CD1-CD1 4.48Å; L820-L844 HydrophobicContact CG-CB 4.33Å; L820-L844 PolarHBondContact N-O 2.64Å; L820-L845 HydrophobicContact CB-CD2 3.68Å; L820-L845 HydrophobicContact CD1-CD2 4.46Å
821	G	67.7	Low	84.3	Confident	31 Å²	31	29.4 Å²	29.4	32%	0.32	17%	0.17	S	C	.	.	S	Bend	trans	-75.5	-9.7	-173	0	0	0	0	0	115.5	I788 G789	I788-G821 PolarHBondContact O-N 2.84Å; G789-G821 CarbonylContact O-C 3.56Å; G789-G821 WeakPolarHBondContact O-CA 3.43Å
822	H	68.4	Low	84.2	Confident	91 Å²	91	33.1 Å²	33.1	42%	0.421	18%	0.184	S	C	.	.	S	Bend	trans	-150.4	141.1	176.5	-173.5	-90.7	0	0	0	111.6	T800 L820 S824	T800-H822 WeakPolarHBondContact CB-O 3.39Å; T800-H822 WeakPolarHBondContact OG1-CB 3.1Å; T800-H822 PolarHBondContact OG1-O 2.63Å; L820-H822 VanDerWaalsContact C-N 3.29Å; L820-H822 PolarHBondContact O-N 2.76Å; H822-S824 VanDerWaalsContact C-N 3.3Å; H822-S824 PolarHBondContact O-N 3.2Å
823	P	66.1	Low	84.3	Confident	52 Å²	52	33.2 Å²	33.2	34%	0.338	18%	0.184	S	C	.	.	S	Bend	trans	-84.1	58.3	-173.5	35.4	-38.4	0	0	0	113.6	L845 T898	P823-L845 HydrophobicContact CB-CD1 4.01Å; P823-L845 HydrophobicContact CB-CD2 4.01Å; P823-T898 PolarHBondContact O-N 2.99Å
824	S	71.9	Confident	84.5	Confident	12 Å²	12	33.6 Å²	33.6	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	113.6	172.5	-167.8	0	0	0	0	110.5	R799 T800 H822	R799-S824 WeakPolarHBondContact CG-OG 3.44Å; T800-S824 VanDerWaalsContact CB-O 3.29Å; T800-S824 WeakPolarHBondContact CB-O 3.21Å; T800-S824 PolarHBondContact N-O 2.56Å; T800-S824 PolarHBondContact OG1-O 3.04Å; H822-S824 VanDerWaalsContact C-N 3.3Å; H822-S824 PolarHBondContact O-N 3.2Å
825	L	83.8	Confident	84.6	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.3	-170.3	-171.4	123.4	0	0	0	110	R799 V801 L820 I827 W841 T898 I899 F900 V901	R799-L825 PolarHBondContact NH1-O 3.36Å; V801-L825 HydrophobicContact CB-CD1 3.88Å; V801-L825 HydrophobicContact CB-CG 4.31Å; V801-L825 HydrophobicContact CG1-CD1 4.43Å; V801-L825 HydrophobicContact CG2-CD1 4.24Å; V801-L825 CarbonylContact O-C 3.57Å; V801-L825 WeakPolarHBondContact O-CA 3.25Å; L820-L825 HydrophobicContact CD1-CD1 3.7Å; L825-I827 HydrophobicContact CD2-CD1 3.93Å; L825-I827 HydrophobicContact CD2-CG1 3.9Å; L825-I827 HydrophobicContact CG-CG1 4.47Å; L825-W841 HydrophobicContact CD1-CD2 4.46Å; L825-W841 HydrophobicContact CD1-CE3 3.52Å; L825-W841 HydrophobicContact CD1-CH2 4.46Å; L825-W841 HydrophobicContact CD1-CZ3 3.52Å; L825-W841 HydrophobicContact CD2-CD2 4.15Å; L825-W841 HydrophobicContact CD2-CE3 4.01Å; L825-W841 HydrophobicContact CD2-CZ3 4.35Å; L825-W841 HydrophobicContact CG-CE3 4.44Å; L825-T898 PolarHBondContact N-O 3.34Å; L825-I899 HydrophobicContact CB-CG2 4.47Å; L825-I899 HydrophobicContact CD2-CG2 4.07Å; L825-F900 PolarHBondContact O-N 3.18Å; L825-V901 HydrophobicContact CD2-CG2 3.89Å
826	L	88.1	Confident	84.8	Confident	24 Å²	24	33.3 Å²	33.3	13%	0.126	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	118.3	175.2	-178.4	54.3	0	0	0	110.4	V801 N802 I803 T828 F900	V801-L826 PolarHBondContact O-N 3.34Å; N802-L826 CarbonylContact C-O 3.58Å; N802-L826 WeakPolarHBondContact CA-O 3.14Å; N802-L826 WeakPolarHBondContact OD1-CD2 3Å; I803-L826 PolarHBondContact N-O 3.2Å; L826-T828 HydrophobicContact CD1-CG2 3.55Å; L826-T828 HydrophobicContact CD2-CG2 4.34Å; L826-T828 HydrophobicContact CG-CG2 3.97Å; L826-F900 WeakPolarHBondContact CA-O 3.49Å; L826-F900 HydrophobicContact CD1-CB 4Å; L826-F900 HydrophobicContact CD1-CD1 3.58Å; L826-F900 HydrophobicContact CD1-CE1 4.48Å; L826-F900 HydrophobicContact CD1-CG 4.14Å
827	I	91.4	Very high	84.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	98.7	170.3	-53	-179.2	0	0	0	107.7	I803 L812 L825 L833 V836 W841 F900 V901 G902 N904	I803-I827 HydrophobicContact CB-CG1 4.44Å; I803-I827 WeakPolarHBondContact O-CA 3.24Å; L812-I827 HydrophobicContact CD1-CD1 4.21Å; L825-I827 HydrophobicContact CD2-CD1 3.93Å; L825-I827 HydrophobicContact CD2-CG1 3.9Å; L825-I827 HydrophobicContact CG-CG1 4.47Å; I827-L833 HydrophobicContact CG2-CD2 3.55Å; I827-V836 HydrophobicContact CD1-CG1 3.83Å; I827-V836 HydrophobicContact CG2-CG1 4.28Å; I827-V836 HydrophobicContact CG2-CG2 4.47Å; I827-W841 HydrophobicContact CD1-CH2 3.71Å; I827-W841 HydrophobicContact CD1-CZ2 3.67Å; I827-W841 HydrophobicContact CD1-CZ3 4.45Å; I827-F900 PolarHBondContact N-O 3.17Å; I827-V901 HydrophobicContact CB-CG2 4.38Å; I827-V901 HydrophobicContact CD1-CG2 4.48Å; I827-G902 PolarHBondContact O-N 3.35Å; I827-N904 PolarHBondContact O-ND2 3.16Å
828	T	92	Very high	84.9	Confident	38 Å²	38	38.8 Å²	38.8	23%	0.233	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	150.7	-172.9	-163.5	0	0	0	0	114.4	I803 N804 L805 L826 N830 G902 N904	I803-T828 PolarHBondContact O-N 3Å; N804-T828 CarbonylContact C-O 3.59Å; N804-T828 WeakPolarHBondContact CA-O 3.5Å; N804-T828 HydrophobicContact CB-CG2 4.15Å; L805-T828 PolarHBondContact N-O 3.17Å; L826-T828 HydrophobicContact CD1-CG2 3.55Å; L826-T828 HydrophobicContact CD2-CG2 4.34Å; L826-T828 HydrophobicContact CG-CG2 3.97Å; T828-N830 VanDerWaalsContact C-N 3.31Å; T828-N830 PolarHBondContact N-ND2 2.92Å; T828-N830 PolarHBondContact O-ND2 3.43Å; T828-G902 VanDerWaalsContact CA-O 3.26Å; T828-G902 WeakPolarHBondContact CA-O 3.43Å; T828-G902 WeakPolarHBondContact CB-O 3.31Å; T828-G902 PolarHBondContact OG1-O 3.3Å; T828-N904 WeakPolarHBondContact CA-OD1 3.13Å
829	G	88.4	Confident	85.1	Confident	23 Å²	23	33.1 Å²	33.1	24%	0.237	19%	0.186	C	C	.	.	S	Bend	trans	72.5	25.9	178.5	0	0	0	0	0	113.2	L805 P831 G903	L805-G829 CarbonylContact C-O 3.41Å; L805-G829 VanDerWaalsContact CA-O 3.27Å; L805-G829 WeakPolarHBondContact CA-O 3.49Å; G829-P831 WeakPolarHBondContact O-CD 3.23Å; G829-G903 VanDerWaalsContact CA-O 3.29Å; G829-G903 WeakPolarHBondContact CA-O 3.43Å; G829-G903 PolarHBondContact N-O 2.85Å
830	N	93.8	Very high	85.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-109.4	80.1	177.9	-46	-75.6	0	0	0	108.2	I803 N806 T828 R832 L833 G903 N904 A905	I803-N830 PolarHBondContact O-ND2 3.23Å; N806-N830 VanDerWaalsContact CB-OD1 3.3Å; N806-N830 WeakPolarHBondContact CB-OD1 3.48Å; N806-N830 PolarHBondContact N-OD1 3.24Å; N806-N830 PolarHBondContact ND2-OD1 3.28Å; T828-N830 VanDerWaalsContact C-N 3.31Å; T828-N830 PolarHBondContact N-ND2 2.92Å; T828-N830 PolarHBondContact O-ND2 3.43Å; N830-R832 PolarHBondContact O-N 2.9Å; N830-L833 HydrophobicContact CB-CB 3.58Å; N830-L833 HydrophobicContact CB-CD2 3.65Å; N830-L833 HydrophobicContact CB-CG 4.28Å; N830-L833 VanDerWaalsContact O-CB 3.29Å; N830-L833 WeakPolarHBondContact O-CB 3.17Å; N830-L833 PolarHBondContact O-N 2.99Å; N830-G903 PolarHBondContact N-O 3.2Å; N830-N904 WeakPolarHBondContact CB-OD1 3.26Å; N830-N904 PolarHBondContact N-OD1 2.98Å; N830-N904 PolarHBondContact ND2-OD1 3.25Å; N830-N904 VanDerWaalsContact O-CA 3.28Å; N830-N904 WeakPolarHBondContact O-CA 3.08Å; N830-A905 PolarHBondContact O-N 3.25Å
831	P	91.7	Very high	85.2	Confident	70 Å²	70	35.4 Å²	35.4	46%	0.455	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.3	-161.7	27.7	-38	0	0	0	115.9	G829	G829-P831 WeakPolarHBondContact O-CD 3.23Å
832	R	92.9	Very high	85.6	Confident	109 Å²	109	38 Å²	38	41%	0.411	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-6.8	173.7	-57.5	-172.7	-176.6	-160.4	-0.3	113.6	L809 E810 N830 C834	L809-R832 CarbonylContact O-C 3.52Å; L809-R832 VanDerWaalsContact O-C 3.25Å; L809-R832 WeakPolarHBondContact O-CB 3.48Å; E810-R832 HydrophobicContact CG-CB 4.01Å; E810-R832 VanDerWaalsContact OE1-CD 3.29Å; E810-R832 WeakPolarHBondContact OE1-CD 3.34Å; E810-R832 IonicContact OE1-CZ 2.86Å; E810-R832 IonicContact OE1-NH1 2.64Å; E810-R832 PolarHBondContact OE1-NH1 2.63Å; N830-R832 PolarHBondContact O-N 2.9Å; R832-C834 PolarHBondContact O-N 3.44Å
833	L	94.6	Very high	85.9	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	21%	0.21	C	C	.	.			trans	-76.3	110.2	-166.1	176.4	57.2	0	0	0	111.3	L809 L812 I827 N830 V836 N904 A905	L809-L833 HydrophobicContact CD2-CD1 4.4Å; L809-L833 HydrophobicContact CD2-CD2 4.13Å; L809-L833 HydrophobicContact CG-CD1 4.25Å; L809-L833 WeakPolarHBondContact O-CA 3.02Å; L809-L833 WeakPolarHBondContact O-CB 3.35Å; L809-L833 PolarHBondContact O-N 2.91Å; L812-L833 HydrophobicContact CD2-CD1 4.16Å; L812-L833 HydrophobicContact CD2-CD2 4.25Å; L812-L833 HydrophobicContact CG-CD1 4.28Å; I827-L833 HydrophobicContact CG2-CD2 3.55Å; N830-L833 HydrophobicContact CB-CB 3.58Å; N830-L833 HydrophobicContact CB-CD2 3.65Å; N830-L833 HydrophobicContact CB-CG 4.28Å; N830-L833 VanDerWaalsContact O-CB 3.29Å; N830-L833 WeakPolarHBondContact O-CB 3.17Å; N830-L833 PolarHBondContact O-N 2.99Å; L833-V836 HydrophobicContact CD1-CG2 3.79Å; L833-V836 HydrophobicContact CD2-CG2 3.7Å; L833-V836 HydrophobicContact CG-CG2 3.52Å; L833-N904 HydrophobicContact CB-CB 4.31Å; L833-A905 WeakPolarHBondContact O-CB 3.28Å; L833-A905 PolarHBondContact O-N 2.94Å
834	C	93.3	Very high	86.4	Confident	8 Å²	8	34.9 Å²	34.9	5%	0.054	20%	0.197	C	C	.	.			trans	-98.7	-177.3	175.7	-70.3	0	0	0	0	111.6	E810 R832 V836 C910 A915	E810-C834 PolarHBondContact O-N 3.36Å; R832-C834 PolarHBondContact O-N 3.44Å; C834-V836 PolarHBondContact O-N 3.31Å; C834-C910 WeakPolarHBondContact CA-SG 3.41Å; C834-C910 HydrophobicContact CB-CB 3.78Å; C834-C910 WeakPolarHBondContact CB-SG 3.49Å; C834-C910 VanDerWaalsContact SG-CA 3.53Å; C834-C910 WeakPolarHBondContact SG-CB 3.19Å; C834-C910 CovalentContact SG-SG 2.04Å; C834-C910 PolarHBondContact SG-SG 2.87Å; C834-A915 HydrophobicContact CB-CB 4.09Å
835	Y	92.2	Very high	86.2	Confident	23 Å²	23	36.3 Å²	36.3	9%	0.09	20%	0.203	C	C	.	.	S	Bend	trans	66.9	-24.3	176.5	-49.8	-84.3	0	0	0	117.2	F811 D837 T838 A915 C927 P930	F811-Y835 HydrophobicContact CB-CD2 3.53Å; F811-Y835 HydrophobicContact CB-CE2 3.88Å; Y835-D837 PolarHBondContact O-N 3.3Å; Y835-T838 WeakPolarHBondContact O-CB 3.19Å; Y835-T838 PolarHBondContact O-N 3.2Å; Y835-T838 PolarHBondContact O-OG1 3.26Å; Y835-A915 HydrophobicContact CE2-CB 4.09Å; Y835-A915 VanDerWaalsContact OH-CA 3.28Å; Y835-A915 WeakPolarHBondContact OH-CA 3.31Å; Y835-C927 VanDerWaalsContact CD1-SG 3.52Å; Y835-P930 WeakPolarHBondContact OH-CB 3.34Å
836	V	89.5	Confident	84.8	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-57.1	-34.3	-178.1	-170.9	0	0	0	0	112.8	L812 I827 L833 C834 T838 I839 W841 V901	L812-V836 HydrophobicContact CD1-CG2 4.04Å; L812-V836 HydrophobicContact CG-CG2 4.12Å; I827-V836 HydrophobicContact CD1-CG1 3.83Å; I827-V836 HydrophobicContact CG2-CG1 4.28Å; I827-V836 HydrophobicContact CG2-CG2 4.47Å; L833-V836 HydrophobicContact CD1-CG2 3.79Å; L833-V836 HydrophobicContact CD2-CG2 3.7Å; L833-V836 HydrophobicContact CG-CG2 3.52Å; C834-V836 PolarHBondContact O-N 3.31Å; V836-T838 PolarHBondContact O-N 3.05Å; V836-I839 PolarHBondContact O-N 3.37Å; V836-W841 HydrophobicContact CG1-CZ2 3.83Å; V836-W841 PolarHBondContact O-NE1 3.43Å; V836-V901 HydrophobicContact CB-CG1 4.29Å; V836-V901 HydrophobicContact CG1-CB 4.45Å; V836-V901 HydrophobicContact CG1-CG1 3.5Å; V836-V901 HydrophobicContact CG1-CG2 4.04Å
837	D	85.6	Confident	82.8	Confident	95 Å²	95	44.8 Å²	44.8	51%	0.508	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72.5	-9.9	177.6	-58.2	-19.9	0	0	0	113.5	Y835	Y835-D837 PolarHBondContact O-N 3.3Å
838	T	87.7	Confident	80.5	Confident	50 Å²	50	53.7 Å²	53.7	31%	0.307	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-89.3	-15.9	178.4	74.6	0	0	0	0	113.4	Y835 V836 G926 C927	Y835-T838 WeakPolarHBondContact O-CB 3.19Å; Y835-T838 PolarHBondContact O-N 3.2Å; Y835-T838 PolarHBondContact O-OG1 3.26Å; V836-T838 PolarHBondContact O-N 3.05Å; T838-G926 VanDerWaalsContact O-CA 3.28Å; T838-G926 WeakPolarHBondContact O-CA 3.33Å; T838-C927 PolarHBondContact OG1-N 3.38Å; T838-C927 PolarHBondContact OG1-O 2.77Å
839	I	86.1	Confident	78	Confident	15 Å²	15	55.1 Å²	55.1	8%	0.077	30%	0.299	C	S	.	.	S	Bend	trans	-91.2	127.2	-171.6	-64.3	158	0	0	0	109.5	V836 W841 W928	V836-I839 PolarHBondContact O-N 3.37Å; I839-W841 VanDerWaalsContact C-N 3.34Å; I839-W841 HydrophobicContact CB-CZ2 4.32Å; I839-W841 HydrophobicContact CD1-CZ2 3.96Å; I839-W841 HydrophobicContact CG2-CD2 4.11Å; I839-W841 HydrophobicContact CG2-CG 4.38Å; I839-W841 HydrophobicContact CG2-CZ2 4.14Å; I839-W841 PolarHBondContact O-N 3.09Å; I839-W928 HydrophobicContact CD1-CD2 4.09Å; I839-W928 HydrophobicContact CD1-CE3 3.49Å; I839-W928 VanDerWaalsContact CD1-CE3 3.49Å; I839-W928 HydrophobicContact CD1-CH2 4.16Å; I839-W928 HydrophobicContact CD1-CZ3 3.54Å; I839-W928 HydrophobicContact CG2-CH2 4.26Å
840	D	81.8	Confident	75.4	Confident	70 Å²	70	55.5 Å²	55.5	37%	0.374	29%	0.294	S	S	.	.			trans	-74.4	89.3	167.7	178.4	12.2	0	0	0	110.3	T842 S843	D840-T842 PolarHBondContact O-N 3.28Å; D840-T842 VanDerWaalsContact O-N 3.13Å; D840-T842 WeakPolarHBondContact OD1-CA 3.37Å; D840-T842 WeakPolarHBondContact OD1-CB 3.45Å; D840-T842 PolarHBondContact OD1-N 3.47Å; D840-T842 PolarHBondContact OD1-OG1 3.36Å; D840-T842 PolarHBondContact OD2-OG1 3.5Å; D840-S843 WeakPolarHBondContact O-CB 3.43Å; D840-S843 PolarHBondContact O-N 3.2Å; D840-S843 VanDerWaalsContact O-N 3.12Å; D840-S843 PolarHBondContact O-OG 2.87Å; D840-S843 PolarHBondContact OD1-N 2.98Å; D840-S843 WeakPolarHBondContact OD2-CB 3.22Å; D840-S843 PolarHBondContact OD2-N 3.42Å
841	W	82.5	Confident	72.6	Confident	24 Å²	24	59.9 Å²	59.9	9%	0.091	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.7	174.5	-66.5	96	0	0	0	114.2	L812 L820 L825 I827 V836 I839 L844 L845 I899 W928	L812-W841 HydrophobicContact CD1-CH2 3.92Å; L812-W841 HydrophobicContact CD1-CZ2 3.95Å; L820-W841 HydrophobicContact CD1-CE3 4.46Å; L825-W841 HydrophobicContact CD1-CD2 4.46Å; L825-W841 HydrophobicContact CD1-CE3 3.52Å; L825-W841 HydrophobicContact CD1-CH2 4.46Å; L825-W841 HydrophobicContact CD1-CZ3 3.52Å; L825-W841 HydrophobicContact CD2-CD2 4.15Å; L825-W841 HydrophobicContact CD2-CE3 4.01Å; L825-W841 HydrophobicContact CD2-CZ3 4.35Å; L825-W841 HydrophobicContact CG-CE3 4.44Å; I827-W841 HydrophobicContact CD1-CH2 3.71Å; I827-W841 HydrophobicContact CD1-CZ2 3.67Å; I827-W841 HydrophobicContact CD1-CZ3 4.45Å; V836-W841 HydrophobicContact CG1-CZ2 3.83Å; V836-W841 PolarHBondContact O-NE1 3.43Å; I839-W841 VanDerWaalsContact C-N 3.34Å; I839-W841 HydrophobicContact CB-CZ2 4.32Å; I839-W841 HydrophobicContact CD1-CZ2 3.96Å; I839-W841 HydrophobicContact CG2-CD2 4.11Å; I839-W841 HydrophobicContact CG2-CG 4.38Å; I839-W841 HydrophobicContact CG2-CZ2 4.14Å; I839-W841 PolarHBondContact O-N 3.09Å; W841-L844 HydrophobicContact CE3-CD1 3.94Å; W841-L844 HydrophobicContact CZ3-CD1 4.07Å; W841-L845 WeakPolarHBondContact O-CD1 3.44Å; W841-I899 HydrophobicContact CB-CG2 4.26Å; W841-W928 HydrophobicContact CH2-CH2 4.17Å; W841-W928 AromaticContact CH2-CZ3 3.86Å; W841-W928 HydrophobicContact CH2-CZ3 3.86Å; W841-W928 HydrophobicContact CZ2-CZ3 4.33Å; W841-W928 HydrophobicContact CZ3-CH2 4.49Å
842	T	76.7	Confident	69.8	Low	85 Å²	85	61.9 Å²	61.9	52%	0.521	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-28.9	175.2	75.8	0	0	0	0	112.3	D840 L844 L845 N846 I899	D840-T842 PolarHBondContact O-N 3.28Å; D840-T842 VanDerWaalsContact O-N 3.13Å; D840-T842 WeakPolarHBondContact OD1-CA 3.37Å; D840-T842 WeakPolarHBondContact OD1-CB 3.45Å; D840-T842 PolarHBondContact OD1-N 3.47Å; D840-T842 PolarHBondContact OD1-OG1 3.36Å; D840-T842 PolarHBondContact OD2-OG1 3.5Å; T842-L844 VanDerWaalsContact C-N 3.28Å; T842-L844 PolarHBondContact O-N 3.31Å; T842-L845 PolarHBondContact O-N 3.33Å; T842-L845 VanDerWaalsContact O-N 3.15Å; T842-N846 PolarHBondContact O-ND2 2.83Å; T842-N846 VanDerWaalsContact O-ND2 3.14Å; T842-I899 HydrophobicContact CG2-CD1 4.41Å
843	S	74	Confident	67	Low	65 Å²	65	62 Å²	62	46%	0.455	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-39.7	174.4	71.8	0	0	0	0	112.6	D840 L845 N846	D840-S843 WeakPolarHBondContact O-CB 3.43Å; D840-S843 PolarHBondContact O-N 3.2Å; D840-S843 VanDerWaalsContact O-N 3.12Å; D840-S843 PolarHBondContact O-OG 2.87Å; D840-S843 PolarHBondContact OD1-N 2.98Å; D840-S843 WeakPolarHBondContact OD2-CB 3.22Å; D840-S843 PolarHBondContact OD2-N 3.42Å; S843-L845 PolarHBondContact O-N 3.16Å; S843-N846 PolarHBondContact O-ND2 3.3Å
844	L	76.3	Confident	64.2	Low	12 Å²	12	65.6 Å²	65.6	6%	0.063	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.3	179.9	-59.8	175.3	0	0	0	114.4	L817 Q818 L820 W841 T842 W928	L817-L844 HydrophobicContact CD2-CD1 4.49Å; L817-L844 WeakPolarHBondContact O-CD2 3.39Å; Q818-L844 WeakPolarHBondContact O-CD2 3.28Å; L820-L844 HydrophobicContact CD1-CB 4.37Å; L820-L844 HydrophobicContact CD1-CD1 4.48Å; L820-L844 HydrophobicContact CG-CB 4.33Å; L820-L844 PolarHBondContact N-O 2.64Å; W841-L844 HydrophobicContact CE3-CD1 3.94Å; W841-L844 HydrophobicContact CZ3-CD1 4.07Å; T842-L844 VanDerWaalsContact C-N 3.28Å; T842-L844 PolarHBondContact O-N 3.31Å; L844-W928 HydrophobicContact CD1-CH2 4.18Å
845	L	67.2	Low	61.4	Low	42 Å²	42	70.6 Å²	70.6	22%	0.22	38%	0.375	C	S	.	.	S	Bend	trans	-114.8	59.6	-171.3	-70.4	170.9	0	0	0	111.7	L820 P823 W841 T842 S843 I899	L820-L845 HydrophobicContact CB-CD2 3.68Å; L820-L845 HydrophobicContact CD1-CD2 4.46Å; P823-L845 HydrophobicContact CB-CD1 4.01Å; P823-L845 HydrophobicContact CB-CD2 4.01Å; W841-L845 WeakPolarHBondContact O-CD1 3.44Å; T842-L845 PolarHBondContact O-N 3.33Å; T842-L845 VanDerWaalsContact O-N 3.15Å; S843-L845 PolarHBondContact O-N 3.16Å; L845-I899 HydrophobicContact CD1-CD1 3.62Å; L845-I899 HydrophobicContact CD1-CG1 4.16Å
846	N	55.9	Low	58.7	Low	98 Å²	98	72.8 Å²	72.8	52%	0.524	39%	0.388	S	S	.	.			trans	-131.7	153.6	-175.1	-80	-74.3	0	0	0	115.4	K819 T842 S843	K819-N846 WeakPolarHBondContact CE-O 3.23Å; K819-N846 PolarHBondContact NZ-O 3.05Å; T842-N846 PolarHBondContact O-ND2 2.83Å; T842-N846 VanDerWaalsContact O-ND2 3.14Å; S843-N846 PolarHBondContact O-ND2 3.3Å
847	D	46.1	Very low	56.1	Low	108 Å²	108	79.1 Å²	79.1	58%	0.578	42%	0.415	S	S	*	.			trans	65.1	113.8	-178.3	-87.2	-51	0	0	0	117.5	K819 T849	K819-D847 PolarHBondContact NZ-O 3.48Å; D847-T849 PolarHBondContact O-N 3.03Å
848	E	42.3	Very low	53.6	Low	187 Å²	187	76.2 Å²	76.2	87%	0.874	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.4	177.8	-59.6	-176.2	128	0	0	113.1	F850	E848-F850 PolarHBondContact O-N 2.86Å; E848-F850 VanDerWaalsContact O-N 3.15Å
849	T	38.4	Very low	51.1	Low	69 Å²	69	75.7 Å²	75.7	42%	0.423	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-12.3	-177	58.1	0	0	0	0	115.2	D847 V851 D852 E853	D847-T849 PolarHBondContact O-N 3.03Å; T849-V851 VanDerWaalsContact C-N 3.26Å; T849-V851 PolarHBondContact O-N 3.26Å; T849-D852 PolarHBondContact O-N 3.23Å; T849-E853 PolarHBondContact O-N 2.7Å
850	F	34.3	Very low	48.7	Very low	30 Å²	30	80.5 Å²	80.5	13%	0.132	43%	0.425	C	S	.	.	H	α-helix	trans	-63.1	-33.3	-178	-174.8	-115.5	0	0	0	112.9	I787 K819 E848 D852 L854	I787-F850 HydrophobicContact CD1-CE2 4.26Å; I787-F850 HydrophobicContact CG2-CE2 3.92Å; I787-F850 HydrophobicContact CG2-CZ 3.7Å; K819-F850 HydrophobicContact CD-CD2 4.49Å; E848-F850 PolarHBondContact O-N 2.86Å; E848-F850 VanDerWaalsContact O-N 3.15Å; F850-D852 VanDerWaalsContact C-N 3.33Å; F850-L854 HydrophobicContact CD1-CD1 4.1Å; F850-L854 HydrophobicContact CE1-CD1 3.53Å; F850-L854 HydrophobicContact CE2-CD1 4.06Å; F850-L854 HydrophobicContact CZ-CD1 3.52Å; F850-L854 HydrophobicContact CZ-CG 4.42Å; F850-L854 PolarHBondContact O-N 3.22Å
851	V	35.8	Very low	46.5	Very low	93 Å²	93	82.3 Å²	82.3	56%	0.564	43%	0.433	S	S	*	.	H	α-helix	trans	-62.3	-45.4	172.7	-179.9	0	0	0	0	109.3	T849 L854 H855	T849-V851 VanDerWaalsContact C-N 3.26Å; T849-V851 PolarHBondContact O-N 3.26Å; V851-L854 PolarHBondContact O-N 3.49Å; V851-H855 VanDerWaalsContact O-CB 3.28Å; V851-H855 WeakPolarHBondContact O-CB 3.45Å; V851-H855 PolarHBondContact O-N 2.91Å
852	D	33.4	Very low	44.1	Very low	111 Å²	111	83 Å²	83	59%	0.594	44%	0.441	S	S	*	.	H	α-helix	trans	-72.9	-32.8	-177.1	-68.4	-39.2	0	0	0	114.1	T849 F850 H855 D856	T849-D852 PolarHBondContact O-N 3.23Å; F850-D852 VanDerWaalsContact C-N 3.33Å; D852-H855 CarbonylContact O-C 3.6Å; D852-H855 PolarHBondContact O-N 3.02Å; D852-D856 WeakPolarHBondContact O-CB 3.5Å; D852-D856 PolarHBondContact O-N 3.06Å
853	E	34	Very low	42	Very low	113 Å²	113	85.2 Å²	85.2	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-68.9	-39.6	172.9	-78.4	-158.6	107.2	0	0	112.5	T849 H855 D856 K857	T849-E853 PolarHBondContact O-N 2.7Å; E853-H855 VanDerWaalsContact C-N 3.29Å; E853-D856 PolarHBondContact O-N 3.31Å; E853-K857 PolarHBondContact O-N 3.13Å
854	L	34.7	Very low	40	Very low	77 Å²	77	87.6 Å²	87.6	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-33.3	168.7	-83.5	166.1	0	0	0	111	F850 V851 G858	F850-L854 HydrophobicContact CD1-CD1 4.1Å; F850-L854 HydrophobicContact CE1-CD1 3.53Å; F850-L854 HydrophobicContact CE2-CD1 4.06Å; F850-L854 HydrophobicContact CZ-CD1 3.52Å; F850-L854 HydrophobicContact CZ-CG 4.42Å; F850-L854 PolarHBondContact O-N 3.22Å; V851-L854 PolarHBondContact O-N 3.49Å; L854-G858 VanDerWaalsContact O-CA 3.3Å; L854-G858 WeakPolarHBondContact O-CA 3.33Å; L854-G858 PolarHBondContact O-N 2.9Å
855	H	35.7	Very low	38	Very low	114 Å²	114	91.7 Å²	91.7	53%	0.528	47%	0.472	S	S	.	.	H	α-helix	trans	-71.5	-31.1	174.5	-137.7	-88.2	0	0	0	112.6	V851 D852 E853 T859	V851-H855 VanDerWaalsContact O-CB 3.28Å; V851-H855 WeakPolarHBondContact O-CB 3.45Å; V851-H855 PolarHBondContact O-N 2.91Å; D852-H855 CarbonylContact O-C 3.6Å; D852-H855 PolarHBondContact O-N 3.02Å; E853-H855 VanDerWaalsContact C-N 3.29Å; H855-T859 WeakPolarHBondContact ND1-CG2 3.47Å; H855-T859 WeakPolarHBondContact O-CA 3.24Å; H855-T859 WeakPolarHBondContact O-CB 3.36Å; H855-T859 WeakPolarHBondContact O-CG2 3.09Å; H855-T859 PolarHBondContact O-N 3.19Å; H855-T859 PolarHBondContact O-OG1 3.38Å
856	D	34.5	Very low	36.3	Very low	69 Å²	69	97.5 Å²	97.5	37%	0.369	50%	0.496	S	S	.	.	H	α-helix	trans	-82.2	-38.6	177.5	-177.8	65.1	0	0	0	112.1	D852 E853 T859 K860	D852-D856 WeakPolarHBondContact O-CB 3.5Å; D852-D856 PolarHBondContact O-N 3.06Å; E853-D856 PolarHBondContact O-N 3.31Å; D856-T859 PolarHBondContact O-N 3.25Å; D856-K860 WeakPolarHBondContact O-CB 3.45Å; D856-K860 WeakPolarHBondContact O-CG 3.42Å; D856-K860 PolarHBondContact O-N 3.43Å; D856-K860 IonicContact OD1-NZ 3.7Å; D856-K860 VanDerWaalsContact OD2-CE 3.32Å; D856-K860 WeakPolarHBondContact OD2-CE 3.03Å; D856-K860 IonicContact OD2-NZ 3.74Å; D856-K860 PolarHBondContact OD2-NZ 2.86Å
857	K	35.8	Very low	35.2	Very low	135 Å²	135	98.2 Å²	98.2	59%	0.587	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-45.1	167.6	-71.8	170.9	-178.7	164.5	0	110.4	E853 T859 K860 I861	E853-K857 PolarHBondContact O-N 3.13Å; K857-T859 PolarHBondContact O-N 2.9Å; K857-K860 PolarHBondContact O-N 3.32Å; K857-I861 WeakPolarHBondContact O-CG1 3.17Å; K857-I861 PolarHBondContact O-N 2.83Å; K857-I861 VanDerWaalsContact O-N 3.14Å
858	G	33.4	Very low	34.6	Very low	34 Å²	34	100 Å²	100	35%	0.351	51%	0.506	S	S	.	.	H	α-helix	trans	-65.9	-31.7	175.4	0	0	0	0	0	114.6	L854 I861 S862	L854-G858 VanDerWaalsContact O-CA 3.3Å; L854-G858 WeakPolarHBondContact O-CA 3.33Å; L854-G858 PolarHBondContact O-N 2.9Å; G858-I861 CarbonylContact O-C 3.37Å; G858-S862 WeakPolarHBondContact O-CB 3.29Å; G858-S862 PolarHBondContact O-N 2.83Å
859	T	33.3	Very low	34.1	Very low	39 Å²	39	97.4 Å²	97.4	24%	0.239	50%	0.498	C	S	.	.	H	α-helix	trans	-95.6	-5.8	175.2	62.3	0	0	0	0	114.4	H855 D856 K857 K863	H855-T859 WeakPolarHBondContact ND1-CG2 3.47Å; H855-T859 WeakPolarHBondContact O-CA 3.24Å; H855-T859 WeakPolarHBondContact O-CB 3.36Å; H855-T859 WeakPolarHBondContact O-CG2 3.09Å; H855-T859 PolarHBondContact O-N 3.19Å; H855-T859 PolarHBondContact O-OG1 3.38Å; D856-T859 PolarHBondContact O-N 3.25Å; K857-T859 PolarHBondContact O-N 2.9Å; T859-K863 WeakPolarHBondContact O-CA 3.48Å; T859-K863 WeakPolarHBondContact O-CB 3.45Å; T859-K863 WeakPolarHBondContact O-CG 3.08Å; T859-K863 PolarHBondContact O-N 2.89Å
860	K	36.4	Very low	33.7	Very low	116 Å²	116	99.6 Å²	99.6	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-69.2	-45.2	153.5	-81	160.8	178	156.6	0	109.7	D856 K857 K863 L864	D856-K860 WeakPolarHBondContact O-CB 3.45Å; D856-K860 WeakPolarHBondContact O-CG 3.42Å; D856-K860 PolarHBondContact O-N 3.43Å; D856-K860 IonicContact OD1-NZ 3.7Å; D856-K860 VanDerWaalsContact OD2-CE 3.32Å; D856-K860 WeakPolarHBondContact OD2-CE 3.03Å; D856-K860 IonicContact OD2-NZ 3.74Å; D856-K860 PolarHBondContact OD2-NZ 2.86Å; K857-K860 PolarHBondContact O-N 3.32Å; K860-K863 PolarHBondContact O-N 2.9Å; K860-L864 PolarHBondContact O-N 3.05Å
861	I	36.2	Very low	33.6	Very low	107 Å²	107	102.4 Å²	102.4	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-43.4	170.2	-64.2	167.4	0	0	0	110.9	K857 G858 K863 L864 I865	K857-I861 WeakPolarHBondContact O-CG1 3.17Å; K857-I861 PolarHBondContact O-N 2.83Å; K857-I861 VanDerWaalsContact O-N 3.14Å; G858-I861 CarbonylContact O-C 3.37Å; I861-K863 VanDerWaalsContact C-N 3.32Å; I861-K863 PolarHBondContact O-N 3.22Å; I861-L864 VanDerWaalsContact O-CB 3.32Å; I861-L864 WeakPolarHBondContact O-CB 3.37Å; I861-L864 PolarHBondContact O-N 3.23Å; I861-I865 HydrophobicContact CG2-CD1 4.09Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3Å
862	S	31.1	Very low	33.4	Very low	38 Å²	38	106 Å²	106	27%	0.266	54%	0.543	S	S	.	.	H	α-helix	trans	-73.4	-16.8	175.3	132.7	0	0	0	0	114	G858 K866	G858-S862 WeakPolarHBondContact O-CB 3.29Å; G858-S862 PolarHBondContact O-N 2.83Å; S862-K866 VanDerWaalsContact O-CB 3.28Å; S862-K866 WeakPolarHBondContact O-CB 3.46Å; S862-K866 WeakPolarHBondContact O-CG 3.35Å; S862-K866 PolarHBondContact O-N 2.89Å
863	K	33.2	Very low	33.3	Very low	133 Å²	133	107.2 Å²	107.2	58%	0.578	55%	0.55	S	S	*	*	H	α-helix	trans	-75	-41.6	166.2	-87.7	170	177.7	173.3	0	110.5	T859 K860 I861 I865 K866 T867	T859-K863 WeakPolarHBondContact O-CA 3.48Å; T859-K863 WeakPolarHBondContact O-CB 3.45Å; T859-K863 WeakPolarHBondContact O-CG 3.08Å; T859-K863 PolarHBondContact O-N 2.89Å; K860-K863 PolarHBondContact O-N 2.9Å; I861-K863 VanDerWaalsContact C-N 3.32Å; I861-K863 PolarHBondContact O-N 3.22Å; K863-I865 VanDerWaalsContact C-N 3.32Å; K863-I865 PolarHBondContact O-N 2.99Å; K863-K866 CarbonylContact O-C 3.54Å; K863-K866 PolarHBondContact O-N 3.31Å; K863-T867 PolarHBondContact O-N 2.89Å; K863-T867 PolarHBondContact O-OG1 3.19Å
864	L	32.3	Very low	33.4	Very low	114 Å²	114	108.2 Å²	108.2	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-56.1	-46	168.7	-89.6	143.3	0	0	0	111.1	K860 I861 T867	K860-L864 PolarHBondContact O-N 3.05Å; I861-L864 VanDerWaalsContact O-CB 3.32Å; I861-L864 WeakPolarHBondContact O-CB 3.37Å; I861-L864 PolarHBondContact O-N 3.23Å; L864-T867 WeakPolarHBondContact O-CB 3.09Å; L864-T867 PolarHBondContact O-N 3.06Å; L864-T867 VanDerWaalsContact O-N 3.08Å
865	I	34.2	Very low	33.3	Very low	98 Å²	98	111 Å²	111	50%	0.503	57%	0.574	S	S	.	*	H	α-helix	trans	-66.6	-37.9	175.8	-63.7	163.7	0	0	0	112	I861 K863 T867 F868 N869	I861-I865 HydrophobicContact CG2-CD1 4.09Å; I861-I865 WeakPolarHBondContact O-CG1 3.39Å; I861-I865 PolarHBondContact O-N 3Å; K863-I865 VanDerWaalsContact C-N 3.32Å; K863-I865 PolarHBondContact O-N 2.99Å; I865-T867 PolarHBondContact O-N 3.01Å; I865-F868 PolarHBondContact O-N 3.36Å; I865-N869 PolarHBondContact O-N 3.1Å
866	K	30.7	Very low	33.2	Very low	165 Å²	165	109.5 Å²	109.5	72%	0.717	58%	0.576	S	S	*	*	H	α-helix	trans	-70.4	-8.6	171.7	-78.4	177	176.1	-173.2	0	114.4	S862 K863 F868	S862-K866 VanDerWaalsContact O-CB 3.28Å; S862-K866 WeakPolarHBondContact O-CB 3.46Å; S862-K866 WeakPolarHBondContact O-CG 3.35Å; S862-K866 PolarHBondContact O-N 2.89Å; K863-K866 CarbonylContact O-C 3.54Å; K863-K866 PolarHBondContact O-N 3.31Å; K866-F868 VanDerWaalsContact C-N 3.32Å
867	T	33.8	Very low	33.1	Very low	112 Å²	112	110.5 Å²	110.5	69%	0.687	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	0.4	170.5	-44.8	0	0	0	0	111.2	K863 L864 I865	K863-T867 PolarHBondContact O-N 2.89Å; K863-T867 PolarHBondContact O-OG1 3.19Å; L864-T867 WeakPolarHBondContact O-CB 3.09Å; L864-T867 PolarHBondContact O-N 3.06Å; L864-T867 VanDerWaalsContact O-N 3.08Å; I865-T867 PolarHBondContact O-N 3.01Å
868	F	33.8	Very low	33	Very low	146 Å²	146	105.9 Å²	105.9	64%	0.64	57%	0.569	S	S	*	*	S	Bend	trans	-129	5.7	-172.7	-98.6	-78.5	0	0	0	115.2	I865 K866	I865-F868 PolarHBondContact O-N 3.36Å; K866-F868 VanDerWaalsContact C-N 3.32Å
869	N	30.2	Very low	33.1	Very low	132 Å²	132	109.8 Å²	109.8	71%	0.706	58%	0.578	S	S	*	*			trans	-134.3	79.2	173.1	-84.7	-25.6	0	0	0	110.4	I865	I865-N869 PolarHBondContact O-N 3.1Å
870	T	30.3	Very low	33.4	Very low	116 Å²	116	112.3 Å²	112.3	71%	0.712	59%	0.588	S	S	*	*			trans	-77.1	168.8	140.7	47.7	0	0	0	0	108.9
871	N	32	Very low	33.4	Very low	88 Å²	88	110.6 Å²	110.6	47%	0.471	58%	0.584	S	S	.	*			trans	69	70.2	173.7	-52.8	20.9	0	0	0	115.3	E40	E40-N871 PolarHBondContact OE1-ND2 2.71Å
872	L	32.1	Very low	33.5	Very low	169 Å²	169	110.5 Å²	110.5	89%	0.885	58%	0.584	S	S	*	*	S	Bend	trans	-164.2	136.4	148.7	-107.7	164.3	0	0	0	110.8
873	N	32	Very low	33.8	Very low	137 Å²	137	116.4 Å²	116.4	73%	0.733	60%	0.601	S	S	*	*			trans	-64	137.7	-157.8	-75.8	-10	0	0	0	117.1	D875 S876	N873-D875 PolarHBondContact O-N 2.98Å; N873-S876 PolarHBondContact O-N 3.28Å
874	N	34.8	Very low	34	Very low	134 Å²	134	116.7 Å²	116.7	72%	0.717	60%	0.604	S	S	*	*	H	α-helix	trans	-60.4	-35.3	-169.4	-86.6	-51.3	0	0	0	115.5	S876 L877 A878	N874-S876 PolarHBondContact O-N 3.4Å; N874-L877 WeakPolarHBondContact O-CB 3.19Å; N874-L877 PolarHBondContact O-N 2.85Å; N874-A878 PolarHBondContact O-N 2.86Å
875	D	32.9	Very low	34.2	Very low	135 Å²	135	118 Å²	118	72%	0.722	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-30.9	-176.7	-101.9	-29.4	0	0	0	113.6	N873 L877 A878 Q879	N873-D875 PolarHBondContact O-N 2.98Å; D875-L877 VanDerWaalsContact C-N 3.34Å; D875-A878 PolarHBondContact O-N 3.41Å; D875-Q879 PolarHBondContact O-N 2.85Å
876	S	33.4	Very low	34.1	Very low	82 Å²	82	121 Å²	121	57%	0.573	61%	0.614	S	S	*	*	H	α-helix	trans	-65.5	-41.4	171.8	-71.9	0	0	0	0	110.8	N873 N874 Q879 I880	N873-S876 PolarHBondContact O-N 3.28Å; N874-S876 PolarHBondContact O-N 3.4Å; S876-Q879 PolarHBondContact O-N 3.22Å; S876-I880 VanDerWaalsContact O-CG1 3.29Å; S876-I880 WeakPolarHBondContact O-CG1 3.48Å; S876-I880 PolarHBondContact O-N 2.88Å
877	L	33.7	Very low	34.2	Very low	91 Å²	91	117.4 Å²	117.4	48%	0.476	60%	0.603	S	S	.	*	H	α-helix	trans	-67.1	-38.5	175.2	-165.5	68.5	0	0	0	111.5	N874 D875 I880 I881	N874-L877 WeakPolarHBondContact O-CB 3.19Å; N874-L877 PolarHBondContact O-N 2.85Å; D875-L877 VanDerWaalsContact C-N 3.34Å; L877-I880 PolarHBondContact O-N 3.17Å; L877-I881 HydrophobicContact CD2-CD1 4.43Å; L877-I881 HydrophobicContact CG-CD1 3.96Å; L877-I881 WeakPolarHBondContact O-CB 3.31Å; L877-I881 VanDerWaalsContact O-CG1 3.28Å; L877-I881 WeakPolarHBondContact O-CG1 3.42Å; L877-I881 PolarHBondContact O-N 3.18Å
878	A	33.2	Very low	34.2	Very low	38 Å²	38	116.3 Å²	116.3	31%	0.314	60%	0.599	S	S	.	*	H	α-helix	trans	-60.9	-44	173.6	0	0	0	0	0	111.8	N874 D875 I881 L882	N874-A878 PolarHBondContact O-N 2.86Å; D875-A878 PolarHBondContact O-N 3.41Å; A878-I881 PolarHBondContact O-N 3.18Å; A878-L882 VanDerWaalsContact O-CB 3.29Å; A878-L882 WeakPolarHBondContact O-CB 3.46Å; A878-L882 VanDerWaalsContact O-CG 3.25Å; A878-L882 WeakPolarHBondContact O-CG 3.39Å; A878-L882 PolarHBondContact O-N 2.94Å
879	Q	36.5	Very low	34	Very low	116 Å²	116	118.3 Å²	118.3	54%	0.542	61%	0.608	S	S	.	*	H	α-helix	trans	-65.2	-39.3	173.9	-75.5	-140.5	30	0	0	113.1	D875 S876 L882 R883	D875-Q879 PolarHBondContact O-N 2.85Å; S876-Q879 PolarHBondContact O-N 3.22Å; Q879-L882 PolarHBondContact O-N 3.12Å; Q879-R883 WeakPolarHBondContact O-CB 3.24Å; Q879-R883 WeakPolarHBondContact O-CG 3.36Å; Q879-R883 PolarHBondContact O-N 2.89Å
880	I	38	Very low	33.9	Very low	91 Å²	91	121.4 Å²	121.4	47%	0.467	61%	0.61	S	S	.	*	H	α-helix	trans	-64.6	-45.7	176.2	-70	164.5	0	0	0	110.5	S876 L877 L882 R883 H884	S876-I880 VanDerWaalsContact O-CG1 3.29Å; S876-I880 WeakPolarHBondContact O-CG1 3.48Å; S876-I880 PolarHBondContact O-N 2.88Å; L877-I880 PolarHBondContact O-N 3.17Å; I880-L882 VanDerWaalsContact C-N 3.32Å; I880-L882 PolarHBondContact O-N 2.03Å; I880-R883 PolarHBondContact O-N 3.1Å; I880-H884 PolarHBondContact O-CD2 2.91Å; I880-H884 PolarHBondContact O-N 3.13Å
881	I	37.5	Very low	33.8	Very low	81 Å²	81	124.5 Å²	124.5	42%	0.415	61%	0.613	S	S	.	*	H	α-helix	trans	-63.6	-36.8	175.6	-69.3	169	0	0	0	111.3	L877 A878 K885	L877-I881 HydrophobicContact CD2-CD1 4.43Å; L877-I881 HydrophobicContact CG-CD1 3.96Å; L877-I881 WeakPolarHBondContact O-CB 3.31Å; L877-I881 VanDerWaalsContact O-CG1 3.28Å; L877-I881 WeakPolarHBondContact O-CG1 3.42Å; L877-I881 PolarHBondContact O-N 3.18Å; A878-I881 PolarHBondContact O-N 3.18Å; I881-K885 HydrophobicContact CG2-CD 4.13Å; I881-K885 VanDerWaalsContact O-CB 3.29Å; I881-K885 WeakPolarHBondContact O-CB 3.45Å; I881-K885 WeakPolarHBondContact O-CG 3.46Å; I881-K885 PolarHBondContact O-N 3.03Å
882	L	37.9	Very low	33.6	Very low	105 Å²	105	130.8 Å²	130.8	55%	0.55	63%	0.63	S	S	.	*	H	α-helix	trans	-72.9	-30.8	175.4	-76.2	168.3	0	0	0	113.3	A878 Q879 I880 K886	A878-L882 VanDerWaalsContact O-CB 3.29Å; A878-L882 WeakPolarHBondContact O-CB 3.46Å; A878-L882 VanDerWaalsContact O-CG 3.25Å; A878-L882 WeakPolarHBondContact O-CG 3.39Å; A878-L882 PolarHBondContact O-N 2.94Å; Q879-L882 PolarHBondContact O-N 3.12Å; I880-L882 VanDerWaalsContact C-N 3.32Å; I880-L882 PolarHBondContact O-N 2.03Å; L882-K886 WeakPolarHBondContact O-CB 3.23Å; L882-K886 WeakPolarHBondContact O-CG 3.47Å; L882-K886 PolarHBondContact O-N 2.96Å
883	R	36.5	Very low	33.3	Very low	161 Å²	161	128.6 Å²	128.6	61%	0.608	63%	0.626	S	S	*	*	H	α-helix	trans	-67.2	-52.6	169.7	-73.6	176.8	-168.4	-164.5	5.4	110.2	Q879 I880 K885 K886 D887	Q879-R883 WeakPolarHBondContact O-CB 3.24Å; Q879-R883 WeakPolarHBondContact O-CG 3.36Å; Q879-R883 PolarHBondContact O-N 2.89Å; I880-R883 PolarHBondContact O-N 3.1Å; R883-K885 VanDerWaalsContact C-N 3.32Å; R883-K885 PolarHBondContact O-N 2.93Å; R883-K886 WeakPolarHBondContact O-CA 3.3Å; R883-K886 PolarHBondContact O-N 2.8Å; R883-D887 PolarHBondContact O-N 2.8Å
884	H	38.4	Very low	33.3	Very low	140 Å²	140	130.4 Å²	130.4	65%	0.648	63%	0.628	S	S	*	*	H	α-helix	trans	-58	-39.4	175	-83.7	-85.3	0	0	0	113	I880 K886 S888	I880-H884 PolarHBondContact O-CD2 2.91Å; I880-H884 PolarHBondContact O-N 3.13Å; H884-K886 PolarHBondContact O-N 3.16Å; H884-S888 WeakPolarHBondContact O-CB 3.36Å; H884-S888 PolarHBondContact O-N 3.43Å
885	K	36.1	Very low	33.2	Very low	142 Å²	142	132.3 Å²	132.3	62%	0.617	63%	0.63	S	S	*	*	H	α-helix	trans	-70.8	-23.9	174	-77.8	-179.8	176	176	0	114.1	I881 R883	I881-K885 HydrophobicContact CG2-CD 4.13Å; I881-K885 VanDerWaalsContact O-CB 3.29Å; I881-K885 WeakPolarHBondContact O-CB 3.45Å; I881-K885 WeakPolarHBondContact O-CG 3.46Å; I881-K885 PolarHBondContact O-N 3.03Å; R883-K885 VanDerWaalsContact C-N 3.32Å; R883-K885 PolarHBondContact O-N 2.93Å
886	K	33	Very low	33.7	Very low	160 Å²	160	132.2 Å²	132.2	70%	0.696	63%	0.629	S	S	*	*	H	α-helix	trans	-77.7	-44.7	171.6	-86.2	179.3	174.7	174.4	0	111.9	L882 R883 H884 K889	L882-K886 WeakPolarHBondContact O-CB 3.23Å; L882-K886 WeakPolarHBondContact O-CG 3.47Å; L882-K886 PolarHBondContact O-N 2.96Å; R883-K886 WeakPolarHBondContact O-CA 3.3Å; R883-K886 PolarHBondContact O-N 2.8Å; H884-K886 PolarHBondContact O-N 3.16Å; K886-K889 PolarHBondContact O-N 2.89Å
887	D	33.2	Very low	34.5	Very low	89 Å²	89	132.9 Å²	132.9	48%	0.476	63%	0.634	S	S	.	*	H	α-helix	trans	-76.3	-25.2	179.6	-68.8	-49.9	0	0	0	113	R883 K889 R890	R883-D887 PolarHBondContact O-N 2.8Å; D887-K889 PolarHBondContact O-N 2.63Å; D887-R890 WeakPolarHBondContact O-CB 3.45Å; D887-R890 PolarHBondContact O-N 3.4Å; D887-R890 IonicContact OD1-NH1 2.69Å; D887-R890 PolarHBondContact OD1-NH1 2.78Å
888	S	32	Very low	35.9	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-61.5	-20.8	167.4	-169.9	0	0	0	0	113.3	H884 R890	H884-S888 WeakPolarHBondContact O-CB 3.36Å; H884-S888 PolarHBondContact O-N 3.43Å; S888-R890 VanDerWaalsContact C-N 3.33Å
889	K	30	Very low	37.8	Very low	189 Å²	189	133 Å²	133	82%	0.822	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-90	11.6	172.5	-69.9	-171.5	175	-174.2	0	113.7	K886 D887	K886-K889 PolarHBondContact O-N 2.89Å; D887-K889 PolarHBondContact O-N 2.63Å
890	R	28.5	Very low	40	Very low	196 Å²	196	132.5 Å²	132.5	74%	0.74	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-112.6	7.7	177.5	-80.2	176.6	157.9	177.2	-8.2	115.1	D887 S888 R892	D887-R890 WeakPolarHBondContact O-CB 3.45Å; D887-R890 PolarHBondContact O-N 3.4Å; D887-R890 IonicContact OD1-NH1 2.69Å; D887-R890 PolarHBondContact OD1-NH1 2.78Å; S888-R890 VanDerWaalsContact C-N 3.33Å; R890-R892 PolarHBondContact O-N 2.92Å
891	K	29	Very low	42.2	Very low	181 Å²	181	130.2 Å²	130.2	79%	0.787	62%	0.618	S	S	*	*			trans	-76.2	114.2	169.4	-70.9	-170.2	175.4	-175.8	0	110.2
892	R	26.2	Very low	44.3	Very low	220 Å²	220	127.3 Å²	127.3	83%	0.83	61%	0.608	S	S	*	*			trans	-63.7	148.3	168.3	-62.5	178.7	-177.3	175.8	1.2	108.9	R890 F894	R890-R892 PolarHBondContact O-N 2.92Å; R892-F894 PolarHBondContact O-N 3.39Å
893	P	25.9	Very low	46.4	Very low	123 Å²	123	125.1 Å²	125.1	80%	0.799	61%	0.611	S	S	*	*			trans	-64.2	119.2	170.8	27.4	-33.1	0	0	0	109.2	K895	P893-K895 VanDerWaalsContact C-N 3.33Å; P893-K895 PolarHBondContact O-N 3.24Å
894	F	33.5	Very low	49	Very low	175 Å²	175	118.7 Å²	118.7	77%	0.768	59%	0.589	S	S	*	*			trans	-72.3	90.7	170.6	-79.6	-89.6	0	0	0	108.8	R892	R892-F894 PolarHBondContact O-N 3.39Å
895	K	32.2	Very low	51.5	Low	175 Å²	175	112.4 Å²	112.4	76%	0.761	56%	0.561	S	S	*	*			trans	-64.9	163.8	152.2	-76.1	-169.6	169.9	-171.4	0	109.2	P893	P893-K895 VanDerWaalsContact C-N 3.33Å; P893-K895 PolarHBondContact O-N 3.24Å
896	D	43.3	Very low	53.9	Low	132 Å²	132	111.4 Å²	111.4	71%	0.706	56%	0.558	S	S	*	*			trans	74.5	54.7	173.5	-44.5	-22.8	0	0	0	114	T898	D896-T898 HydrophobicContact CB-CG2 4.39Å; D896-T898 WeakPolarHBondContact O-CG2 3.17Å; D896-T898 PolarHBondContact O-N 3.36Å; D896-T898 VanDerWaalsContact O-N 3.13Å; D896-T898 PolarHBondContact O-OG1 3.1Å
897	S	50.9	Low	56.3	Low	97 Å²	97	109.2 Å²	109.2	68%	0.678	55%	0.549	S	S	*	.			trans	-53	113.7	154.5	39.1	0	0	0	0	109.2
898	T	62.1	Low	58.7	Low	60 Å²	60	111.4 Å²	111.4	37%	0.368	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.1	84	-162.5	27.3	0	0	0	0	110.1	P823 L825 D896	P823-T898 PolarHBondContact O-N 2.99Å; L825-T898 PolarHBondContact N-O 3.34Å; D896-T898 HydrophobicContact CB-CG2 4.39Å; D896-T898 WeakPolarHBondContact O-CG2 3.17Å; D896-T898 PolarHBondContact O-N 3.36Å; D896-T898 VanDerWaalsContact O-N 3.13Å; D896-T898 PolarHBondContact O-OG1 3.1Å
899	I	73.1	Confident	61.4	Low	70 Å²	70	111.4 Å²	111.4	36%	0.359	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.3	160.2	-54.8	174.7	0	0	0	106.5	L825 W841 T842 L845	L825-I899 HydrophobicContact CB-CG2 4.47Å; L825-I899 HydrophobicContact CD2-CG2 4.07Å; W841-I899 HydrophobicContact CB-CG2 4.26Å; T842-I899 HydrophobicContact CG2-CD1 4.41Å; L845-I899 HydrophobicContact CD1-CD1 3.62Å; L845-I899 HydrophobicContact CD1-CG1 4.16Å
900	F	82.8	Confident	64.3	Low	106 Å²	106	102.8 Å²	102.8	47%	0.465	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	103.8	173	-170.7	-85.1	0	0	0	110.1	L825 L826 I827	L825-F900 PolarHBondContact O-N 3.18Å; L826-F900 WeakPolarHBondContact CA-O 3.49Å; L826-F900 HydrophobicContact CD1-CB 4Å; L826-F900 HydrophobicContact CD1-CD1 3.58Å; L826-F900 HydrophobicContact CD1-CE1 4.48Å; L826-F900 HydrophobicContact CD1-CG 4.14Å; I827-F900 PolarHBondContact N-O 3.17Å
901	V	83.7	Confident	67.1	Low	43 Å²	43	99.9 Å²	99.9	26%	0.261	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118	166.2	175.6	0	0	0	0	106.3	L825 I827 V836	L825-V901 HydrophobicContact CD2-CG2 3.89Å; I827-V901 HydrophobicContact CB-CG2 4.38Å; I827-V901 HydrophobicContact CD1-CG2 4.48Å; V836-V901 HydrophobicContact CB-CG1 4.29Å; V836-V901 HydrophobicContact CG1-CB 4.45Å; V836-V901 HydrophobicContact CG1-CG1 3.5Å; V836-V901 HydrophobicContact CG1-CG2 4.04Å
902	G	81.2	Confident	69.7	Low	21 Å²	21	94.7 Å²	94.7	22%	0.216	50%	0.499	C	S	.	.			trans	169.5	154.2	-177.8	0	0	0	0	0	113	I827 T828 N904	I827-G902 PolarHBondContact O-N 3.35Å; T828-G902 VanDerWaalsContact CA-O 3.26Å; T828-G902 WeakPolarHBondContact CA-O 3.43Å; T828-G902 WeakPolarHBondContact CB-O 3.31Å; T828-G902 PolarHBondContact OG1-O 3.3Å; G902-N904 VanDerWaalsContact C-N 3.32Å; G902-N904 PolarHBondContact N-ND2 3.17Å
903	G	82.3	Confident	72.6	Confident	59 Å²	59	92.8 Å²	92.8	61%	0.608	49%	0.492	S	S	*	.	S	Bend	trans	70.7	29.8	-169.3	0	0	0	0	0	112.9	G829 N830	G829-G903 VanDerWaalsContact CA-O 3.29Å; G829-G903 WeakPolarHBondContact CA-O 3.43Å; G829-G903 PolarHBondContact N-O 2.85Å; N830-G903 PolarHBondContact N-O 3.2Å
904	N	92.3	Very high	75.4	Confident	25 Å²	25	89.4 Å²	89.4	13%	0.134	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-104.1	-163.4	169.3	-53.9	-52.2	0	0	0	108.9	I827 T828 N830 L833 G902	I827-N904 PolarHBondContact O-ND2 3.16Å; T828-N904 WeakPolarHBondContact CA-OD1 3.13Å; N830-N904 WeakPolarHBondContact CB-OD1 3.26Å; N830-N904 PolarHBondContact N-OD1 2.98Å; N830-N904 PolarHBondContact ND2-OD1 3.25Å; N830-N904 VanDerWaalsContact O-CA 3.28Å; N830-N904 WeakPolarHBondContact O-CA 3.08Å; L833-N904 HydrophobicContact CB-CB 4.31Å; G902-N904 VanDerWaalsContact C-N 3.32Å; G902-N904 PolarHBondContact N-ND2 3.17Å
905	A	89.6	Confident	78	Confident	9 Å²	9	82 Å²	82	7%	0.074	45%	0.451	C	S	.	.			trans	-65.8	144.1	173.1	0	0	0	0	0	111.4	N830 L833 F909	N830-A905 PolarHBondContact O-N 3.25Å; L833-A905 WeakPolarHBondContact O-CB 3.28Å; L833-A905 PolarHBondContact O-N 2.94Å; A905-F909 HydrophobicContact CB-CD1 3.76Å; A905-F909 HydrophobicContact CB-CE1 3.86Å
906	H	87.1	Confident	80.7	Confident	120 Å²	120	77.4 Å²	77.4	56%	0.556	44%	0.437	S	S	*	.			trans	-74.9	143.1	178.7	-167.4	-125.8	0	0	0	111.1	E908 F909 C910	H906-E908 IonicContact CE1-OE2 3.34Å; H906-E908 PolarHBondContact CE1-OE2 2.67Å; H906-E908 IonicContact ND1-OE2 3.16Å; H906-E908 PolarHBondContact ND1-OE2 3.45Å; H906-E908 PolarHBondContact O-N 3.28Å; H906-E908 VanDerWaalsContact O-N 3.12Å; H906-F909 HydrophobicContact CB-CB 4.4Å; H906-F909 WeakPolarHBondContact O-CA 3.26Å; H906-F909 WeakPolarHBondContact O-CB 3.26Å; H906-F909 PolarHBondContact O-N 2.92Å; H906-C910 PolarHBondContact O-N 2.84Å
907	F	82.5	Confident	82.9	Confident	114 Å²	114	73.1 Å²	73.1	50%	0.5	42%	0.417	S	S	.	.	H	α-helix	trans	-48.1	-42.8	177.7	172.5	-100	0	0	0	113.5	F909 C910 K911	F907-F909 PolarHBondContact O-N 2.87Å; F907-C910 PolarHBondContact O-N 3.02Å; F907-K911 HydrophobicContact CE1-CD 4.21Å; F907-K911 HydrophobicContact CZ-CD 4.31Å; F907-K911 WeakPolarHBondContact O-CB 3.27Å; F907-K911 PolarHBondContact O-N 3.46Å
908	E	84.5	Confident	84.8	Confident	135 Å²	135	70.9 Å²	70.9	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-66.8	-34.6	178.8	-62.2	176.7	138.1	0	0	113.2	H906 G912	H906-E908 IonicContact CE1-OE2 3.34Å; H906-E908 PolarHBondContact CE1-OE2 2.67Å; H906-E908 IonicContact ND1-OE2 3.16Å; H906-E908 PolarHBondContact ND1-OE2 3.45Å; H906-E908 PolarHBondContact O-N 3.28Å; H906-E908 VanDerWaalsContact O-N 3.12Å; E908-G912 PolarHBondContact O-N 2.83Å
909	F	89.1	Confident	86.1	Confident	90 Å²	90	76.3 Å²	76.3	40%	0.395	42%	0.419	S	S	.	.	H	α-helix	trans	-68.9	-38.2	175.1	165.8	-76.7	0	0	0	110.9	A905 H906 F907 R913	A905-F909 HydrophobicContact CB-CD1 3.76Å; A905-F909 HydrophobicContact CB-CE1 3.86Å; H906-F909 HydrophobicContact CB-CB 4.4Å; H906-F909 WeakPolarHBondContact O-CA 3.26Å; H906-F909 WeakPolarHBondContact O-CB 3.26Å; H906-F909 PolarHBondContact O-N 2.92Å; F907-F909 PolarHBondContact O-N 2.87Å; F909-R913 PolarHBondContact O-N 3.3Å
910	C	90.7	Very high	86.8	Confident	8 Å²	8	74.5 Å²	74.5	5%	0.054	41%	0.409	C	S	.	.	H	α-helix	trans	-66.2	-50.4	173.6	-62.8	0	0	0	0	111	C834 H906 F907 G912 R913 G914 A915	C834-C910 WeakPolarHBondContact CA-SG 3.41Å; C834-C910 HydrophobicContact CB-CB 3.78Å; C834-C910 WeakPolarHBondContact CB-SG 3.49Å; C834-C910 VanDerWaalsContact SG-CA 3.53Å; C834-C910 WeakPolarHBondContact SG-CB 3.19Å; C834-C910 CovalentContact SG-SG 2.04Å; C834-C910 PolarHBondContact SG-SG 2.87Å; H906-C910 PolarHBondContact O-N 2.84Å; F907-C910 PolarHBondContact O-N 3.02Å; C910-G912 VanDerWaalsContact C-N 3.31Å; C910-G912 PolarHBondContact O-N 3.32Å; C910-R913 CarbonylContact O-C 3.54Å; C910-R913 WeakPolarHBondContact O-CA 3.02Å; C910-R913 WeakPolarHBondContact O-CB 3.01Å; C910-R913 PolarHBondContact O-N 3.06Å; C910-G914 PolarHBondContact O-N 2.8Å; C910-A915 HydrophobicContact CB-CB 4.14Å; C910-A915 WeakPolarHBondContact O-CB 3.39Å; C910-A915 PolarHBondContact O-N 2.98Å
911	K	86.2	Confident	87	Confident	135 Å²	135	69.7 Å²	69.7	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-58.5	-41.7	176.2	-171.8	177	-179.6	-179.9	0	112.1	F907 R913 G914	F907-K911 HydrophobicContact CE1-CD 4.21Å; F907-K911 HydrophobicContact CZ-CD 4.31Å; F907-K911 WeakPolarHBondContact O-CB 3.27Å; F907-K911 PolarHBondContact O-N 3.46Å; K911-R913 PolarHBondContact O-N 2.75Å; K911-G914 PolarHBondContact O-N 3.06Å
912	G	84.4	Confident	87	Confident	71 Å²	71	69.9 Å²	69.9	73%	0.732	39%	0.387	S	S	*	.	H	α-helix	trans	-67.2	-17	175.5	0	0	0	0	0	114.8	E908 C910	E908-G912 PolarHBondContact O-N 2.83Å; C910-G912 VanDerWaalsContact C-N 3.31Å; C910-G912 PolarHBondContact O-N 3.32Å
913	R	86.5	Confident	86.7	Confident	181 Å²	181	74.3 Å²	74.3	68%	0.683	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-0.2	170	-84.5	-173.4	146.2	80.3	6.9	114	F909 C910 K911 A915	F909-R913 PolarHBondContact O-N 3.3Å; C910-R913 CarbonylContact O-C 3.54Å; C910-R913 WeakPolarHBondContact O-CA 3.02Å; C910-R913 WeakPolarHBondContact O-CB 3.01Å; C910-R913 PolarHBondContact O-N 3.06Å; K911-R913 PolarHBondContact O-N 2.75Å; R913-A915 HydrophobicContact CB-CB 4.49Å; R913-A915 PolarHBondContact O-N 2.82Å
914	G	85.2	Confident	86.3	Confident	52 Å²	52	79.7 Å²	79.7	54%	0.536	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	14.1	-169.5	0	0	0	0	0	113.7	C910 K911 V916	C910-G914 PolarHBondContact O-N 2.8Å; K911-G914 PolarHBondContact O-N 3.06Å; G914-V916 VanDerWaalsContact C-N 3.26Å; G914-V916 PolarHBondContact O-N 3.19Å
915	A	88.3	Confident	85.5	Confident	19 Å²	19	80 Å²	80	16%	0.157	43%	0.425	C	S	.	.			trans	-79.2	74.9	179.6	0	0	0	0	0	110.8	C834 Y835 C910 R913	C834-A915 HydrophobicContact CB-CB 4.09Å; Y835-A915 HydrophobicContact CE2-CB 4.09Å; Y835-A915 VanDerWaalsContact OH-CA 3.28Å; Y835-A915 WeakPolarHBondContact OH-CA 3.31Å; C910-A915 HydrophobicContact CB-CB 4.14Å; C910-A915 WeakPolarHBondContact O-CB 3.39Å; C910-A915 PolarHBondContact O-N 2.98Å; R913-A915 HydrophobicContact CB-CB 4.49Å; R913-A915 PolarHBondContact O-N 2.82Å
916	V	89.2	Confident	85.4	Confident	78 Å²	78	79.9 Å²	79.9	47%	0.473	43%	0.425	S	S	.	.			trans	-127.8	164.4	-179.4	-61.2	0	0	0	0	111.1	G914	G914-V916 VanDerWaalsContact C-N 3.26Å; G914-V916 PolarHBondContact O-N 3.19Å
917	C	89.7	Confident	85.6	Confident	42 Å²	42	74.2 Å²	74.2	28%	0.284	40%	0.398	S	S	.	.			trans	-73.3	156.9	177.7	-58.6	0	0	0	0	112.6	C921 C927	C917-C921 HydrophobicContact CB-CB 4.31Å; C917-C927 WeakPolarHBondContact CA-SG 3.16Å; C917-C927 HydrophobicContact CB-CB 3.82Å; C917-C927 WeakPolarHBondContact CB-SG 3.33Å; C917-C927 WeakPolarHBondContact SG-CB 3.49Å; C917-C927 PolarHBondContact SG-N 3.16Å; C917-C927 VanDerWaalsContact SG-N 3.38Å; C917-C927 CovalentContact SG-SG 2.04Å; C917-C927 PolarHBondContact SG-SG 3.32Å
918	D	90.7	Very high	85.9	Confident	50 Å²	50	69 Å²	69	27%	0.267	38%	0.375	S	S	.	.			trans	-69.1	149.7	176.5	-165.8	-68.2	0	0	0	111.8	L920 C921 R932	D918-L920 PolarHBondContact O-N 3.1Å; D918-L920 WeakPolarHBondContact OD1-CB 3.4Å; D918-L920 PolarHBondContact OD1-N 3.16Å; D918-C921 VanDerWaalsContact O-CB 3.26Å; D918-C921 WeakPolarHBondContact O-CB 3.28Å; D918-C921 PolarHBondContact O-N 3.3Å; D918-R932 HydrophobicContact CB-CB 4.4Å; D918-R932 VanDerWaalsContact CG-N 3.31Å; D918-R932 WeakPolarHBondContact OD2-CB 3.47Å; D918-R932 PolarHBondContact OD2-N 3.28Å
919	E	88.7	Confident	86.3	Confident	175 Å²	175	62.6 Å²	62.6	82%	0.818	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.2	179.9	-60.4	-170	175.3	0	0	113.5	K939	E919-K939 WeakPolarHBondContact O-CD 3.16Å
920	L	88.6	Confident	86.1	Confident	31 Å²	31	61 Å²	61	16%	0.162	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.8	171.1	-60.3	176.4	0	0	0	113.3	D918 R932 K939 Y940 C953	D918-L920 PolarHBondContact O-N 3.1Å; D918-L920 WeakPolarHBondContact OD1-CB 3.4Å; D918-L920 PolarHBondContact OD1-N 3.16Å; L920-R932 HydrophobicContact CB-CB 4.43Å; L920-R932 HydrophobicContact CD1-CB 4.24Å; L920-K939 WeakPolarHBondContact O-CB 3.32Å; L920-K939 PolarHBondContact O-N 2.02Å; L920-Y940 HydrophobicContact CD2-CD2 4.05Å; L920-Y940 HydrophobicContact CD2-CE2 4.12Å; L920-C953 HydrophobicContact CB-CB 3.84Å
921	C	87.5	Confident	85.9	Confident	6 Å²	6	61.5 Å²	61.5	4%	0.041	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-78.9	148.1	170	-57.7	0	0	0	0	111.3	C917 D918 P923 C935	C917-C921 HydrophobicContact CB-CB 4.31Å; D918-C921 VanDerWaalsContact O-CB 3.26Å; D918-C921 WeakPolarHBondContact O-CB 3.28Å; D918-C921 PolarHBondContact O-N 3.3Å; C921-P923 WeakPolarHBondContact O-CD 3.48Å; C921-C935 WeakPolarHBondContact CA-SG 3.36Å; C921-C935 HydrophobicContact CB-CB 3.65Å; C921-C935 WeakPolarHBondContact CB-SG 3.27Å; C921-C935 PolarHBondContact N-SG 3.29Å; C921-C935 VanDerWaalsContact N-SG 3.45Å; C921-C935 WeakPolarHBondContact SG-CA 3.26Å; C921-C935 WeakPolarHBondContact SG-CB 3.49Å; C921-C935 CovalentContact SG-SG 2.03Å; C921-C935 PolarHBondContact SG-SG 2.91Å
922	Q	83.2	Confident	86	Confident	47 Å²	47	61.1 Å²	61.1	22%	0.22	35%	0.345	C	S	.	.			trans	-70.6	121.1	172.5	-171.5	171.4	22.1	0	0	110.8	H924 S925 G926 L937	Q922-H924 PolarHBondContact O-N 2.92Å; Q922-S925 PolarHBondContact O-N 3Å; Q922-S925 PolarHBondContact OE1-OG 2.93Å; Q922-S925 VanDerWaalsContact OE1-OG 3.13Å; Q922-G926 PolarHBondContact O-N 2.88Å; Q922-L937 HydrophobicContact CB-CB 4.2Å; Q922-L937 PolarHBondContact N-O 3.4Å
923	P	74.7	Confident	86	Confident	114 Å²	114	61.3 Å²	61.3	74%	0.74	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.9	-170.3	-27.3	36.3	0	0	0	117.2	C921	C921-P923 WeakPolarHBondContact O-CD 3.48Å
924	H	74	Confident	86.2	Confident	172 Å²	172	53.9 Å²	53.9	80%	0.796	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.5	179	-60.2	-24.7	0	0	0	113.3	Q922	Q922-H924 PolarHBondContact O-N 2.92Å
925	S	75.9	Confident	86.3	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.224	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-22.7	-177.2	-47.5	0	0	0	0	112	Q922 T936	Q922-S925 PolarHBondContact O-N 3Å; Q922-S925 PolarHBondContact OE1-OG 2.93Å; Q922-S925 VanDerWaalsContact OE1-OG 3.13Å; S925-T936 WeakPolarHBondContact CB-OG1 3.27Å; S925-T936 WeakPolarHBondContact O-CG2 3.35Å; S925-T936 PolarHBondContact O-OG1 3Å
926	G	86.1	Confident	86	Confident	6 Å²	6	52.3 Å²	52.3	6%	0.062	28%	0.278	C	S	.	.			trans	80	-163.1	176.6	0	0	0	0	0	114.9	T838 Q922 T936	T838-G926 VanDerWaalsContact O-CA 3.28Å; T838-G926 WeakPolarHBondContact O-CA 3.33Å; Q922-G926 PolarHBondContact O-N 2.88Å; G926-T936 PolarHBondContact O-N 3.07Å; G926-T936 PolarHBondContact O-OG1 2.89Å; G926-T936 VanDerWaalsContact O-OG1 3.05Å
927	C	91.1	Very high	85.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-151.5	155.3	179.1	61.9	0	0	0	0	111.9	Y835 T838 C917 G929 F934	Y835-C927 VanDerWaalsContact CD1-SG 3.52Å; T838-C927 PolarHBondContact OG1-N 3.38Å; T838-C927 PolarHBondContact OG1-O 2.77Å; C917-C927 WeakPolarHBondContact CA-SG 3.16Å; C917-C927 HydrophobicContact CB-CB 3.82Å; C917-C927 WeakPolarHBondContact CB-SG 3.33Å; C917-C927 WeakPolarHBondContact SG-CB 3.49Å; C917-C927 PolarHBondContact SG-N 3.16Å; C917-C927 VanDerWaalsContact SG-N 3.38Å; C917-C927 CovalentContact SG-SG 2.04Å; C917-C927 PolarHBondContact SG-SG 3.32Å; C927-G929 PolarHBondContact SG-O 3.19Å; C927-F934 CarbonylContact C-O 3.46Å; C927-F934 WeakPolarHBondContact CA-O 3.49Å; C927-F934 WeakPolarHBondContact CB-O 3.41Å
928	W	90.6	Very high	85.3	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.019	25%	0.252	C	S	.	.	S	Bend	trans	-85.6	-7.9	179	-63.9	105.3	0	0	0	113.9	L812 G813 M814 L817 I839 W841 L844 F934	L812-W928 HydrophobicContact CB-CE3 4.04Å; L812-W928 HydrophobicContact CD1-CE3 4.14Å; L812-W928 HydrophobicContact CD1-CZ3 3.97Å; L812-W928 PolarHBondContact N-O 2.88Å; G813-W928 PolarHBondContact N-O 3.04Å; M814-W928 HydrophobicContact CB-CE3 4.22Å; M814-W928 HydrophobicContact CB-CZ3 4.39Å; M814-W928 VanDerWaalsContact O-CE2 3.31Å; M814-W928 PolarHBondContact O-NE1 2.95Å; L817-W928 HydrophobicContact CB-CH2 4.17Å; L817-W928 HydrophobicContact CB-CZ2 3.95Å; L817-W928 HydrophobicContact CD2-CH2 3.86Å; L817-W928 HydrophobicContact CD2-CZ2 4.47Å; L817-W928 HydrophobicContact CD2-CZ3 4.5Å; L817-W928 HydrophobicContact CG-CH2 4.44Å; I839-W928 HydrophobicContact CD1-CD2 4.09Å; I839-W928 HydrophobicContact CD1-CE3 3.49Å; I839-W928 VanDerWaalsContact CD1-CE3 3.49Å; I839-W928 HydrophobicContact CD1-CH2 4.16Å; I839-W928 HydrophobicContact CD1-CZ3 3.54Å; I839-W928 HydrophobicContact CG2-CH2 4.26Å; W841-W928 HydrophobicContact CH2-CH2 4.17Å; W841-W928 AromaticContact CH2-CZ3 3.86Å; W841-W928 HydrophobicContact CH2-CZ3 3.86Å; W841-W928 HydrophobicContact CZ2-CZ3 4.33Å; W841-W928 HydrophobicContact CZ3-CH2 4.49Å; L844-W928 HydrophobicContact CD1-CH2 4.18Å; W928-F934 HydrophobicContact CB-CB 4.39Å; W928-F934 PolarHBondContact N-O 3.21Å
929	G	90.9	Very high	84.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	171.7	-173.1	-171.7	0	0	0	0	0	113.1	C927 G931 F934	C927-G929 PolarHBondContact SG-O 3.19Å; G929-G931 PolarHBondContact O-N 3.01Å; G929-F934 WeakPolarHBondContact O-CB 3.38Å
930	P	86.8	Confident	84.5	Confident	58 Å²	58	47.2 Å²	47.2	38%	0.377	24%	0.24	S	C	.	.	S	Bend	trans	-77.5	113.9	-174.8	26.8	-32	0	0	0	114.7	F811 Y835 F934	F811-P930 HydrophobicContact CE1-CG 4.46Å; Y835-P930 WeakPolarHBondContact OH-CB 3.34Å; P930-F934 WeakPolarHBondContact O-CD2 3.45Å; P930-F934 WeakPolarHBondContact O-CE2 3.42Å
931	G	86.2	Confident	84.2	Confident	18 Å²	18	47.6 Å²	47.6	19%	0.186	24%	0.239	C	C	.	.	S	Bend	trans	111.1	163.3	167.8	0	0	0	0	0	115.7	G929 Q933 F934	G929-G931 PolarHBondContact O-N 3.01Å; G931-Q933 PolarHBondContact O-N 2.8Å; G931-F934 PolarHBondContact O-N 2.78Å
932	R	88.3	Confident	83.9	Confident	127 Å²	127	47.4 Å²	47.4	48%	0.479	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-10.9	-175.7	58.6	178.4	171.6	179.6	-4.4	117.5	D918 L920 C953	D918-R932 HydrophobicContact CB-CB 4.4Å; D918-R932 VanDerWaalsContact CG-N 3.31Å; D918-R932 WeakPolarHBondContact OD2-CB 3.47Å; D918-R932 PolarHBondContact OD2-N 3.28Å; L920-R932 HydrophobicContact CB-CB 4.43Å; L920-R932 HydrophobicContact CD1-CB 4.24Å; R932-C953 HydrophobicContact CB-CB 4.27Å; R932-C953 PolarHBondContact O-N 3.42Å; R932-C953 PolarHBondContact O-SG 2.63Å; R932-C953 VanDerWaalsContact O-SG 3.39Å
933	Q	84.3	Confident	83.6	Confident	75 Å²	75	45.9 Å²	45.9	35%	0.35	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-8	173.7	72.8	-77.6	10.9	0	0	114.1	G931 R951 I952	G931-Q933 PolarHBondContact O-N 2.8Å; Q933-R951 CarbonylContact C-O 3.36Å; Q933-R951 VanDerWaalsContact CA-O 3.32Å; Q933-R951 WeakPolarHBondContact CA-O 3.4Å; Q933-I952 HydrophobicContact CB-CG1 4.31Å
934	F	89.3	Confident	83.2	Confident	25 Å²	25	46.1 Å²	46.1	11%	0.11	22%	0.222	C	C	.	.	S	Bend	trans	-113.1	3.6	-179.7	-61.9	-72	0	0	0	114.3	T780 F811 T815 C927 W928 G929 P930 G931	T780-F934 HydrophobicContact CG2-CE1 3.84Å; T780-F934 HydrophobicContact CG2-CZ 4.31Å; F811-F934 AromaticContact CE2-CE1 3.91Å; F811-F934 HydrophobicContact CE2-CE1 3.91Å; F811-F934 HydrophobicContact CE2-CE2 4.36Å; F811-F934 AromaticContact CE2-CZ 3.77Å; F811-F934 HydrophobicContact CE2-CZ 3.77Å; F811-F934 HydrophobicContact CZ-CZ 4.24Å; T815-F934 HydrophobicContact CG2-CD1 3.64Å; T815-F934 HydrophobicContact CG2-CE1 4.34Å; C927-F934 CarbonylContact C-O 3.46Å; C927-F934 WeakPolarHBondContact CA-O 3.49Å; C927-F934 WeakPolarHBondContact CB-O 3.41Å; W928-F934 HydrophobicContact CB-CB 4.39Å; W928-F934 PolarHBondContact N-O 3.21Å; G929-F934 WeakPolarHBondContact O-CB 3.38Å; P930-F934 WeakPolarHBondContact O-CD2 3.45Å; P930-F934 WeakPolarHBondContact O-CE2 3.42Å; G931-F934 PolarHBondContact O-N 2.78Å
935	C	87.2	Confident	82.6	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.027	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-59.9	137.3	174.4	-55.5	0	0	0	0	111.1	C921 C953	C921-C935 WeakPolarHBondContact CA-SG 3.36Å; C921-C935 HydrophobicContact CB-CB 3.65Å; C921-C935 WeakPolarHBondContact CB-SG 3.27Å; C921-C935 PolarHBondContact N-SG 3.29Å; C921-C935 VanDerWaalsContact N-SG 3.45Å; C921-C935 WeakPolarHBondContact SG-CA 3.26Å; C921-C935 WeakPolarHBondContact SG-CB 3.49Å; C921-C935 CovalentContact SG-SG 2.03Å; C921-C935 PolarHBondContact SG-SG 2.91Å; C935-C953 VanDerWaalsContact CB-SG 3.59Å; C935-C953 VanDerWaalsContact SG-SG 3.63Å
936	T	83.1	Confident	81.4	Confident	34 Å²	34	45.5 Å²	45.5	21%	0.209	22%	0.22	C	C	.	.	S	Bend	trans	-69.9	-39.5	173	53.7	0	0	0	0	111.1	S925 G926 R951	S925-T936 WeakPolarHBondContact CB-OG1 3.27Å; S925-T936 WeakPolarHBondContact O-CG2 3.35Å; S925-T936 PolarHBondContact O-OG1 3Å; G926-T936 PolarHBondContact O-N 3.07Å; G926-T936 PolarHBondContact O-OG1 2.89Å; G926-T936 VanDerWaalsContact O-OG1 3.05Å; T936-R951 PolarHBondContact O-NH1 2.98Å
937	L	79.7	Confident	79.4	Confident	33 Å²	33	51.3 Å²	51.3	17%	0.173	25%	0.25	C	S	.	.	S	Bend	trans	-135.3	144.1	166.7	-142.4	80.3	0	0	0	110.8	Q922	Q922-L937 HydrophobicContact CB-CB 4.2Å; Q922-L937 PolarHBondContact N-O 3.4Å
938	C	83.9	Confident	77.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.034	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-82.7	146.1	174.2	-58	0	0	0	0	111.3	Y940 R951 C953	C938-Y940 VanDerWaalsContact C-N 3.33Å; C938-R951 VanDerWaalsContact SG-CD 3.55Å; C938-C953 WeakPolarHBondContact CA-SG 3.24Å; C938-C953 HydrophobicContact CB-CB 3.58Å; C938-C953 WeakPolarHBondContact CB-SG 3.46Å; C938-C953 WeakPolarHBondContact SG-CA 3.5Å; C938-C953 WeakPolarHBondContact SG-CB 3.4Å; C938-C953 CovalentContact SG-SG 2.03Å; C938-C953 PolarHBondContact SG-SG 3.25Å
939	K	81	Confident	75.2	Confident	108 Å²	108	57.7 Å²	57.7	47%	0.47	29%	0.293	S	S	.	.	S	Bend	trans	-68.2	-29.6	175.5	-176.4	-176.2	175.1	-154.4	0	113.4	E919 L920	E919-K939 WeakPolarHBondContact O-CD 3.16Å; L920-K939 WeakPolarHBondContact O-CB 3.32Å; L920-K939 PolarHBondContact O-N 2.02Å
940	Y	82.1	Confident	73.7	Confident	92 Å²	92	58.2 Å²	58.2	36%	0.361	30%	0.298	S	S	.	.	S	Bend	trans	-131.6	-117.1	-178.9	-51.5	-76.7	0	0	0	110.2	L920 C938 M954 E955	L920-Y940 HydrophobicContact CD2-CD2 4.05Å; L920-Y940 HydrophobicContact CD2-CE2 4.12Å; C938-Y940 VanDerWaalsContact C-N 3.33Å; Y940-M954 WeakPolarHBondContact CB-O 3.25Å; Y940-E955 HydrophobicContact CD2-CB 4.39Å; Y940-E955 HydrophobicContact CD2-CG 4.13Å; Y940-E955 HydrophobicContact CE2-CG 4.13Å
941	W	81.7	Confident	73	Confident	39 Å²	39	59 Å²	59	15%	0.148	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	165.8	-177.2	-62.5	89.9	0	0	0	112.7	M954 E955 T965 P966 L968 A1023	W941-M954 HydrophobicContact CB-CG 4.38Å; W941-M954 PolarHBondContact N-O 3.17Å; W941-M954 PolarHBondContact O-N 3.43Å; W941-M954 VanDerWaalsContact O-N 3.1Å; W941-E955 VanDerWaalsContact CD1-O 3.24Å; W941-T965 HydrophobicContact CH2-CG2 3.6Å; W941-T965 HydrophobicContact CZ2-CG2 3.43Å; W941-T965 VanDerWaalsContact CZ2-CG2 3.43Å; W941-T965 HydrophobicContact CZ3-CG2 4.23Å; W941-P966 HydrophobicContact CZ3-CG 4.47Å; W941-L968 HydrophobicContact CH2-CD1 3.78Å; W941-L968 HydrophobicContact CZ2-CD1 3.87Å; W941-A1023 CarbonylContact C-O 3.37Å; W941-A1023 VanDerWaalsContact CA-O 3.25Å; W941-A1023 WeakPolarHBondContact CA-O 3.24Å; W941-A1023 HydrophobicContact CD2-CB 4.1Å; W941-A1023 HydrophobicContact CE3-CB 3.47Å; W941-A1023 VanDerWaalsContact CE3-CB 3.47Å; W941-A1023 VanDerWaalsContact CE3-O 3.28Å; W941-A1023 HydrophobicContact CH2-CB 3.77Å; W941-A1023 HydrophobicContact CZ2-CB 4.37Å; W941-A1023 HydrophobicContact CZ3-CB 3.28Å
942	S	81.7	Confident	72.9	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.3	176.1	70	0	0	0	0	114.9	I952 S1022 A1023 Q1024 C1025	S942-I952 VanDerWaalsContact CA-O 3.29Å; S942-I952 WeakPolarHBondContact CA-O 3.3Å; S942-S1022 PolarHBondContact OG-O 3.21Å; S942-S1022 VanDerWaalsContact OG-O 3.13Å; S942-A1023 PolarHBondContact N-O 3.41Å; S942-Q1024 WeakPolarHBondContact O-CA 3.15Å; S942-C1025 PolarHBondContact O-N 2.81Å
943	I	77.6	Confident	72.8	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139	170	-73	-179.6	0	0	0	109.3	I952 M954 L960 F963 C1025	I943-I952 PolarHBondContact N-O 3.06Å; I943-I952 PolarHBondContact O-N 3.04Å; I943-M954 HydrophobicContact CD1-CE 3.64Å; I943-M954 HydrophobicContact CD1-SD 3.49Å; I943-M954 WeakPolarHBondContact CD1-SD 3.2Å; I943-M954 HydrophobicContact CG1-CE 4.37Å; I943-M954 HydrophobicContact CG1-SD 3.77Å; I943-L960 HydrophobicContact CD1-CB 4.5Å; I943-L960 HydrophobicContact CD1-CD2 3.53Å; I943-F963 HydrophobicContact CD1-CD1 4Å; I943-F963 HydrophobicContact CD1-CD2 4.2Å; I943-F963 HydrophobicContact CD1-CE1 4.02Å; I943-F963 HydrophobicContact CD1-CE2 4.23Å; I943-F963 HydrophobicContact CD1-CG 4.09Å; I943-F963 HydrophobicContact CD1-CZ 4.13Å; I943-F963 HydrophobicContact CG1-CD1 4.34Å; I943-F963 HydrophobicContact CG1-CE1 4.22Å; I943-F963 HydrophobicContact CG2-CE1 4.39Å; I943-F963 HydrophobicContact CG2-CZ 4.31Å; I943-C1025 HydrophobicContact CD1-CB 4.26Å; I943-C1025 HydrophobicContact CG1-CB 3.7Å
944	E	66.5	Low	72.8	Confident	120 Å²	120	52 Å²	52	56%	0.561	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	123.8	169.8	-66.3	-179.5	173.6	0	0	109.5	I946 Q1024	E944-I946 PolarHBondContact O-N 2.84Å; E944-Q1024 PolarHBondContact OE1-NE2 2.79Å
945	N	60.6	Low	72.4	Confident	39 Å²	39	55.6 Å²	55.6	21%	0.209	28%	0.28	C	S	.	.			trans	-76.1	107.4	-177.4	-177.2	-35.9	0	0	0	109.8	D947 N948 G949 G950 I952	N945-D947 PolarHBondContact O-N 2.95Å; N945-D947 PolarHBondContact OD1-N 3.19Å; N945-N948 PolarHBondContact O-N 3.33Å; N945-N948 PolarHBondContact OD1-N 2.93Å; N945-G949 WeakPolarHBondContact O-CA 3.49Å; N945-G949 PolarHBondContact O-N 3.43Å; N945-G950 VanDerWaalsContact CB-O 3.26Å; N945-G950 WeakPolarHBondContact CB-O 3.42Å; N945-G950 PolarHBondContact N-O 3.37Å; N945-I952 HydrophobicContact CB-CD1 4.27Å; N945-I952 HydrophobicContact CB-CG1 4.31Å
946	I	49.8	Very low	72.2	Confident	151 Å²	151	59.9 Å²	59.9	77%	0.774	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-37	-172.6	-60.9	174.1	0	0	0	112.5	E944	E944-I946 PolarHBondContact O-N 2.84Å
947	D	43.9	Very low	72.1	Confident	129 Å²	129	58.3 Å²	58.3	69%	0.69	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-28.4	-170.9	-57.4	-56.9	0	0	0	113.6	N945	N945-D947 PolarHBondContact O-N 2.95Å; N945-D947 PolarHBondContact OD1-N 3.19Å
948	N	47.9	Very low	72.1	Confident	106 Å²	106	59.6 Å²	59.6	57%	0.567	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	-5.6	-171.1	-72.4	-77.1	0	0	0	115.5	S783 N784 N945 G950	S783-N948 PolarHBondContact OG-O 3.48Å; N784-N948 PolarHBondContact OD1-O 3.48Å; N945-N948 PolarHBondContact O-N 3.33Å; N945-N948 PolarHBondContact OD1-N 2.93Å; N948-G950 PolarHBondContact O-N 3.18Å; N948-G950 VanDerWaalsContact O-N 3.17Å
949	G	47.6	Very low	71.6	Confident	33 Å²	33	64.5 Å²	64.5	34%	0.34	32%	0.321	S	S	.	.			trans	65.9	11.5	176.8	0	0	0	0	0	116.4	N784 S816 N945	N784-G949 VanDerWaalsContact OD1-CA 3.23Å; N784-G949 WeakPolarHBondContact OD1-CA 3.4Å; S816-G949 PolarHBondContact OG-O 3.34Å; N945-G949 WeakPolarHBondContact O-CA 3.49Å; N945-G949 PolarHBondContact O-N 3.43Å
950	G	58.2	Low	71.3	Confident	11 Å²	11	62.8 Å²	62.8	11%	0.113	32%	0.316	C	S	.	.			trans	-74.6	175.4	164.7	0	0	0	0	0	112.9	N945 N948	N945-G950 VanDerWaalsContact CB-O 3.26Å; N945-G950 WeakPolarHBondContact CB-O 3.42Å; N945-G950 PolarHBondContact N-O 3.37Å; N948-G950 PolarHBondContact O-N 3.18Å; N948-G950 VanDerWaalsContact O-N 3.17Å
951	R	73.3	Confident	71	Confident	73 Å²	73	60.5 Å²	60.5	28%	0.275	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.5	174.9	178.5	-170.8	-82.7	153	-13.3	109.2	Q933 T936 C938 S1022	Q933-R951 CarbonylContact C-O 3.36Å; Q933-R951 VanDerWaalsContact CA-O 3.32Å; Q933-R951 WeakPolarHBondContact CA-O 3.4Å; T936-R951 PolarHBondContact O-NH1 2.98Å; C938-R951 VanDerWaalsContact SG-CD 3.55Å; R951-S1022 PolarHBondContact NE-OG 3.24Å; R951-S1022 PolarHBondContact NH1-OG 3.43Å; R951-S1022 PolarHBondContact NH2-OG 3.1Å
952	I	82.6	Confident	70.9	Confident	49 Å²	49	59 Å²	59	25%	0.251	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.8	174.6	-57.9	173.8	0	0	0	109	Q933 S942 I943 N945	Q933-I952 HydrophobicContact CB-CG1 4.31Å; S942-I952 VanDerWaalsContact CA-O 3.29Å; S942-I952 WeakPolarHBondContact CA-O 3.3Å; I943-I952 PolarHBondContact N-O 3.06Å; I943-I952 PolarHBondContact O-N 3.04Å; N945-I952 HydrophobicContact CB-CD1 4.27Å; N945-I952 HydrophobicContact CB-CG1 4.31Å
953	C	85.8	Confident	71.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.007	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.1	174.6	-54.1	0	0	0	0	112.5	L920 R932 C935 C938	L920-C953 HydrophobicContact CB-CB 3.84Å; R932-C953 HydrophobicContact CB-CB 4.27Å; R932-C953 PolarHBondContact O-N 3.42Å; R932-C953 PolarHBondContact O-SG 2.63Å; R932-C953 VanDerWaalsContact O-SG 3.39Å; C935-C953 VanDerWaalsContact CB-SG 3.59Å; C935-C953 VanDerWaalsContact SG-SG 3.63Å; C938-C953 WeakPolarHBondContact CA-SG 3.24Å; C938-C953 HydrophobicContact CB-CB 3.58Å; C938-C953 WeakPolarHBondContact CB-SG 3.46Å; C938-C953 WeakPolarHBondContact SG-CA 3.5Å; C938-C953 WeakPolarHBondContact SG-CB 3.4Å; C938-C953 CovalentContact SG-SG 2.03Å; C938-C953 PolarHBondContact SG-SG 3.25Å
954	M	84.7	Confident	71.4	Confident	25 Å²	25	61.5 Å²	61.5	12%	0.123	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	161.8	-179.1	45.5	168.3	42.9	0	0	112.2	Y940 W941 I943 L960 C1025	Y940-M954 WeakPolarHBondContact CB-O 3.25Å; W941-M954 HydrophobicContact CB-CG 4.38Å; W941-M954 PolarHBondContact N-O 3.17Å; W941-M954 PolarHBondContact O-N 3.43Å; W941-M954 VanDerWaalsContact O-N 3.1Å; I943-M954 HydrophobicContact CD1-CE 3.64Å; I943-M954 HydrophobicContact CD1-SD 3.49Å; I943-M954 WeakPolarHBondContact CD1-SD 3.2Å; I943-M954 HydrophobicContact CG1-CE 4.37Å; I943-M954 HydrophobicContact CG1-SD 3.77Å; M954-L960 HydrophobicContact CE-CB 4.39Å; M954-C1025 VanDerWaalsContact SD-SG 3.68Å
955	E	82.1	Confident	72.2	Confident	100 Å²	100	57.6 Å²	57.6	47%	0.467	30%	0.303	S	S	.	.	S	Bend	trans	-90.3	-36.1	-172.2	-165.3	168.8	-164.7	0	0	113.7	Y940 W941	Y940-E955 HydrophobicContact CD2-CB 4.39Å; Y940-E955 HydrophobicContact CD2-CG 4.13Å; Y940-E955 HydrophobicContact CE2-CG 4.13Å; W941-E955 VanDerWaalsContact CD1-O 3.24Å
956	H	82	Confident	72.6	Confident	94 Å²	94	57 Å²	57	44%	0.435	30%	0.302	S	S	.	.			trans	-134.1	152.5	170.5	-45.1	89.8	0	0	0	110.1	D959	H956-D959 IonicContact CG-OD2 2.8Å; H956-D959 IonicContact ND1-OD2 3.75Å; H956-D959 PolarHBondContact ND1-OD2 2.81Å
957	C	82.2	Confident	73.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-84.4	-27.1	177.6	-61.1	0	0	0	0	112.9	D959 L960 T965 C1025	C957-D959 PolarHBondContact O-N 3.12Å; C957-L960 PolarHBondContact O-N 3.28Å; C957-T965 VanDerWaalsContact CB-OG1 3.31Å; C957-T965 WeakPolarHBondContact CB-OG1 3.17Å; C957-T965 PolarHBondContact N-OG1 2.95Å; C957-C1025 VanDerWaalsContact CA-SG 3.52Å; C957-C1025 HydrophobicContact CB-CB 3.62Å; C957-C1025 WeakPolarHBondContact CB-SG 3.45Å; C957-C1025 WeakPolarHBondContact SG-CA 3.1Å; C957-C1025 WeakPolarHBondContact SG-CB 3.5Å; C957-C1025 CovalentContact SG-SG 2.03Å; C957-C1025 PolarHBondContact SG-SG 3.18Å
958	E	78.6	Confident	73.6	Confident	61 Å²	61	54.8 Å²	54.8	29%	0.285	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.5	177.6	-71.4	66.3	-150.9	0	0	113.2	L960 T965 Q1037	E958-L960 PolarHBondContact O-N 3.11Å; E958-T965 VanDerWaalsContact CD-OG1 3.29Å; E958-T965 WeakPolarHBondContact OE1-CB 3.42Å; E958-T965 PolarHBondContact OE1-N 3.3Å; E958-T965 PolarHBondContact OE1-OG1 3.21Å; E958-T965 WeakPolarHBondContact OE2-CB 3.39Å; E958-T965 PolarHBondContact OE2-OG1 2.85Å; E958-Q1037 HydrophobicContact CG-CG 4.27Å
959	D	74.4	Confident	73.2	Confident	107 Å²	107	55 Å²	55	57%	0.572	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-10.6	174.9	-65.8	-24.8	0	0	0	112.8	H956 C957	H956-D959 IonicContact CG-OD2 2.8Å; H956-D959 IonicContact ND1-OD2 3.75Å; H956-D959 PolarHBondContact ND1-OD2 2.81Å; C957-D959 PolarHBondContact O-N 3.12Å
960	L	72.9	Confident	72.6	Confident	73 Å²	73	59.3 Å²	59.3	38%	0.382	30%	0.3	S	S	.	.	S	Bend	trans	-125.3	114.6	176.4	-164.9	69.5	0	0	0	111.5	I943 M954 C957 E958 F963	I943-L960 HydrophobicContact CD1-CB 4.5Å; I943-L960 HydrophobicContact CD1-CD2 3.53Å; M954-L960 HydrophobicContact CE-CB 4.39Å; C957-L960 PolarHBondContact O-N 3.28Å; E958-L960 PolarHBondContact O-N 3.11Å; L960-F963 HydrophobicContact CB-CD2 4.27Å; L960-F963 HydrophobicContact CD2-CD2 3.78Å; L960-F963 HydrophobicContact CD2-CE2 3.67Å; L960-F963 HydrophobicContact CG-CD2 4.08Å; L960-F963 HydrophobicContact CG-CE2 4.34Å; L960-F963 PolarHBondContact O-N 2.76Å
961	P	77.3	Confident	71.4	Confident	44 Å²	44	63.6 Å²	63.6	29%	0.286	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.9	179.7	-28.7	35.9	0	0	0	113.7
962	G	79.3	Confident	69.5	Low	8 Å²	8	63 Å²	63	8%	0.082	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	1.6	-175.4	0	0	0	0	0	115.6	C1028 T1038	G962-C1028 PolarHBondContact O-N 3.03Å; G962-T1038 PolarHBondContact N-OG1 3.19Å; G962-T1038 VanDerWaalsContact N-OG1 3.15Å
963	F	84.8	Confident	67.1	Low	40 Å²	40	64 Å²	64	18%	0.175	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	159.4	170.2	-67.8	-97.4	0	0	0	111.7	I943 L960 C1025 K1026 K1027	I943-F963 HydrophobicContact CD1-CD1 4Å; I943-F963 HydrophobicContact CD1-CD2 4.2Å; I943-F963 HydrophobicContact CD1-CE1 4.02Å; I943-F963 HydrophobicContact CD1-CE2 4.23Å; I943-F963 HydrophobicContact CD1-CG 4.09Å; I943-F963 HydrophobicContact CD1-CZ 4.13Å; I943-F963 HydrophobicContact CG1-CD1 4.34Å; I943-F963 HydrophobicContact CG1-CE1 4.22Å; I943-F963 HydrophobicContact CG2-CE1 4.39Å; I943-F963 HydrophobicContact CG2-CZ 4.31Å; L960-F963 HydrophobicContact CB-CD2 4.27Å; L960-F963 HydrophobicContact CD2-CD2 3.78Å; L960-F963 HydrophobicContact CD2-CE2 3.67Å; L960-F963 HydrophobicContact CG-CD2 4.08Å; L960-F963 HydrophobicContact CG-CE2 4.34Å; L960-F963 PolarHBondContact O-N 2.76Å; F963-C1025 HydrophobicContact CD1-CB 4.05Å; F963-K1026 CarbonylContact C-O 3.43Å; F963-K1026 VanDerWaalsContact CA-O 3.3Å; F963-K1026 WeakPolarHBondContact CA-O 3.33Å; F963-K1027 HydrophobicContact CE1-CB 4.35Å
964	Y	84.7	Confident	64.6	Low	28 Å²	28	69.1 Å²	69.1	11%	0.11	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.7	171.4	73.4	-80	0	0	0	110.4	P966 K1026 C1039 P1042	Y964-P966 HydrophobicContact CE2-CB 4.35Å; Y964-P966 HydrophobicContact CE2-CG 4.26Å; Y964-P966 VanDerWaalsContact O-CD 3.31Å; Y964-P966 WeakPolarHBondContact O-CD 3.45Å; Y964-K1026 HydrophobicContact CD1-CB 4.14Å; Y964-K1026 WeakPolarHBondContact CD1-O 3.22Å; Y964-K1026 HydrophobicContact CE1-CB 3.41Å; Y964-K1026 VanDerWaalsContact CE1-CB 3.41Å; Y964-K1026 HydrophobicContact CE2-CB 4.34Å; Y964-K1026 PolarHBondContact N-O 3.18Å; Y964-K1026 PolarHBondContact O-N 3.11Å; Y964-K1026 WeakPolarHBondContact OH-CB 3.38Å; Y964-C1039 WeakPolarHBondContact CD1-SG 3.22Å; Y964-P1042 WeakPolarHBondContact OH-CD 3.23Å
965	T	82.7	Confident	62.1	Low	37 Å²	37	70.5 Å²	70.5	23%	0.227	37%	0.371	C	S	.	.			trans	-75	115.4	167	-68.6	0	0	0	0	108.4	W941 C957 E958 K967	W941-T965 HydrophobicContact CH2-CG2 3.6Å; W941-T965 HydrophobicContact CZ2-CG2 3.43Å; W941-T965 VanDerWaalsContact CZ2-CG2 3.43Å; W941-T965 HydrophobicContact CZ3-CG2 4.23Å; C957-T965 VanDerWaalsContact CB-OG1 3.31Å; C957-T965 WeakPolarHBondContact CB-OG1 3.17Å; C957-T965 PolarHBondContact N-OG1 2.95Å; E958-T965 VanDerWaalsContact CD-OG1 3.29Å; E958-T965 WeakPolarHBondContact OE1-CB 3.42Å; E958-T965 PolarHBondContact OE1-N 3.3Å; E958-T965 PolarHBondContact OE1-OG1 3.21Å; E958-T965 WeakPolarHBondContact OE2-CB 3.39Å; E958-T965 PolarHBondContact OE2-OG1 2.85Å; T965-K967 PolarHBondContact O-N 2.85Å
966	P	69.9	Low	59.7	Low	28 Å²	28	71.3 Å²	71.3	18%	0.182	38%	0.375	C	S	.	.			trans	-60.1	135.4	170.4	-20.5	33.6	0	0	0	110.2	W941 Y964 L968 K1026	W941-P966 HydrophobicContact CZ3-CG 4.47Å; Y964-P966 HydrophobicContact CE2-CB 4.35Å; Y964-P966 HydrophobicContact CE2-CG 4.26Å; Y964-P966 VanDerWaalsContact O-CD 3.31Å; Y964-P966 WeakPolarHBondContact O-CD 3.45Å; P966-L968 PolarHBondContact O-N 2.81Å; P966-K1026 HydrophobicContact CG-CB 4.15Å; P966-K1026 HydrophobicContact CG-CG 3.59Å
967	K	62.8	Low	57.5	Low	152 Å²	152	73.5 Å²	73.5	66%	0.661	39%	0.385	S	S	*	.			trans	-59.1	128.5	168.1	-66.9	175.8	-177.1	171.1	0	107.5	T965 N969 D970	T965-K967 PolarHBondContact O-N 2.85Å; K967-N969 PolarHBondContact O-N 2.97Å; K967-D970 PolarHBondContact O-N 3.29Å
968	L	52.8	Low	55.1	Low	81 Å²	81	80.2 Å²	80.2	42%	0.424	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-58.8	-10.3	177.5	-91	83.1	0	0	0	113.4	W941 P966 T971 H972 F1020	W941-L968 HydrophobicContact CH2-CD1 3.78Å; W941-L968 HydrophobicContact CZ2-CD1 3.87Å; P966-L968 PolarHBondContact O-N 2.81Å; L968-T971 PolarHBondContact O-OG1 2.71Å; L968-T971 VanDerWaalsContact O-OG1 3.13Å; L968-H972 PolarHBondContact O-CD2 3.5Å; L968-F1020 HydrophobicContact CD2-CE1 4.02Å; L968-F1020 HydrophobicContact CD2-CZ 3.87Å
969	N	38.3	Very low	53	Low	111 Å²	111	82.2 Å²	82.2	59%	0.594	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-83.6	-12.3	-177.4	-62.8	27.8	0	0	0	114.4	K967 T971 H972	K967-N969 PolarHBondContact O-N 2.97Å; N969-T971 VanDerWaalsContact C-N 3.26Å; N969-T971 PolarHBondContact O-N 2.77Å; N969-H972 HydrophobicContact CB-CB 4.44Å; N969-H972 WeakPolarHBondContact O-CA 3.34Å; N969-H972 WeakPolarHBondContact O-CB 3.19Å; N969-H972 PolarHBondContact O-N 2.85Å
970	D	34.9	Very low	51.1	Low	122 Å²	122	82.4 Å²	82.4	65%	0.652	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-76.9	-14	178.1	-69.4	-43.4	0	0	0	113.1	K967 S973	K967-D970 PolarHBondContact O-N 3.29Å; D970-S973 PolarHBondContact O-OG 3.38Å
971	T	33.4	Very low	49.2	Very low	101 Å²	101	85.8 Å²	85.8	62%	0.62	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.2	160.6	40.2	0	0	0	0	113.5	L968 N969 S973 N974 L975	L968-T971 PolarHBondContact O-OG1 2.71Å; L968-T971 VanDerWaalsContact O-OG1 3.13Å; N969-T971 VanDerWaalsContact C-N 3.26Å; N969-T971 PolarHBondContact O-N 2.77Å; T971-S973 VanDerWaalsContact C-N 3.32Å; T971-S973 PolarHBondContact O-N 3.19Å; T971-N974 PolarHBondContact O-N 2.89Å; T971-L975 PolarHBondContact O-N 3.33Å; T971-L975 VanDerWaalsContact O-N 3.14Å
972	H	32.3	Very low	47.2	Very low	62 Å²	62	94 Å²	94	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-71.2	-21.4	179.4	-90.5	-122.6	0	0	0	113.7	L968 N969 N974 L975 E976	L968-H972 PolarHBondContact O-CD2 3.5Å; N969-H972 HydrophobicContact CB-CB 4.44Å; N969-H972 WeakPolarHBondContact O-CA 3.34Å; N969-H972 WeakPolarHBondContact O-CB 3.19Å; N969-H972 PolarHBondContact O-N 2.85Å; H972-N974 VanDerWaalsContact C-N 3.31Å; H972-N974 PolarHBondContact O-N 2.92Å; H972-L975 PolarHBondContact O-N 3.29Å; H972-E976 HydrophobicContact CB-CG 4.33Å; H972-E976 IonicContact ND1-OE1 3.53Å; H972-E976 VanDerWaalsContact O-CB 3.24Å; H972-E976 WeakPolarHBondContact O-CB 3.44Å; H972-E976 WeakPolarHBondContact O-CG 3.34Å; H972-E976 PolarHBondContact O-N 2.71Å
973	S	33.8	Very low	44.8	Very low	69 Å²	69	98.2 Å²	98.2	48%	0.483	51%	0.507	S	S	.	.	H	α-helix	trans	-56.8	-44.4	173.5	53.4	0	0	0	0	112.5	D970 T971	D970-S973 PolarHBondContact O-OG 3.38Å; T971-S973 VanDerWaalsContact C-N 3.32Å; T971-S973 PolarHBondContact O-N 3.19Å
974	N	32.4	Very low	42.1	Very low	108 Å²	108	103.4 Å²	103.4	58%	0.578	54%	0.536	S	S	*	.	H	α-helix	trans	-80.2	-31.9	173.8	-68.6	-62.7	0	0	0	112.5	T971 H972 M978	T971-N974 PolarHBondContact O-N 2.89Å; H972-N974 VanDerWaalsContact C-N 3.31Å; H972-N974 PolarHBondContact O-N 2.92Å; N974-M978 WeakPolarHBondContact O-CG 3.43Å; N974-M978 PolarHBondContact O-N 3.16Å; N974-M978 VanDerWaalsContact O-N 3.11Å
975	L	33	Very low	39.6	Very low	55 Å²	55	108.2 Å²	108.2	29%	0.288	56%	0.563	S	S	.	*	H	α-helix	trans	-74.2	-37.4	-178.8	-155.8	72.7	0	0	0	112.5	T971 H972 M978 I979	T971-L975 PolarHBondContact O-N 3.33Å; T971-L975 VanDerWaalsContact O-N 3.14Å; H972-L975 PolarHBondContact O-N 3.29Å; L975-M978 CarbonylContact O-C 3.59Å; L975-M978 WeakPolarHBondContact O-CA 3.48Å; L975-M978 PolarHBondContact O-N 3.09Å; L975-M978 VanDerWaalsContact O-N 3.13Å; L975-I979 HydrophobicContact CD2-CD1 4.1Å; L975-I979 HydrophobicContact CG-CD1 3.86Å; L975-I979 HydrophobicContact CG-CG1 4.46Å; L975-I979 WeakPolarHBondContact O-CB 3.45Å; L975-I979 WeakPolarHBondContact O-CD1 3.43Å; L975-I979 WeakPolarHBondContact O-CG1 3.39Å; L975-I979 PolarHBondContact O-N 3.04Å
976	E	31.8	Very low	37	Very low	116 Å²	116	115.8 Å²	115.8	54%	0.542	60%	0.598	S	S	.	*	H	α-helix	trans	-65.2	-40.8	175	-72.9	-179.7	165.2	0	0	110.8	H972 M978 I979 T980	H972-E976 HydrophobicContact CB-CG 4.33Å; H972-E976 IonicContact ND1-OE1 3.53Å; H972-E976 VanDerWaalsContact O-CB 3.24Å; H972-E976 WeakPolarHBondContact O-CB 3.44Å; H972-E976 WeakPolarHBondContact O-CG 3.34Å; H972-E976 PolarHBondContact O-N 2.71Å; E976-M978 VanDerWaalsContact C-N 3.3Å; E976-M978 PolarHBondContact O-N 2.85Å; E976-I979 PolarHBondContact O-N 2.9Å; E976-I979 VanDerWaalsContact O-N 3.11Å; E976-T980 PolarHBondContact O-N 3.2Å; E976-T980 PolarHBondContact O-OG1 2.71Å; E976-T980 VanDerWaalsContact O-OG1 3.1Å
977	Q	34.7	Very low	35.3	Very low	141 Å²	141	120.3 Å²	120.3	66%	0.659	62%	0.619	S	S	*	*	H	α-helix	trans	-61.3	-34.9	170	-73.6	-171.5	-42.9	0	0	112.8	T980	Q977-T980 PolarHBondContact O-OG1 2.84Å
978	M	31.8	Very low	33.9	Very low	140 Å²	140	117.1 Å²	117.1	69%	0.69	61%	0.609	S	S	*	*	H	α-helix	trans	-76	-23.3	172.7	-75	-170.5	171.5	0	0	114.2	N974 L975 E976	N974-M978 WeakPolarHBondContact O-CG 3.43Å; N974-M978 PolarHBondContact O-N 3.16Å; N974-M978 VanDerWaalsContact O-N 3.11Å; L975-M978 CarbonylContact O-C 3.59Å; L975-M978 WeakPolarHBondContact O-CA 3.48Å; L975-M978 PolarHBondContact O-N 3.09Å; L975-M978 VanDerWaalsContact O-N 3.13Å; E976-M978 VanDerWaalsContact C-N 3.3Å; E976-M978 PolarHBondContact O-N 2.85Å
979	I	35.4	Very low	33.1	Very low	103 Å²	103	117.9 Å²	117.9	53%	0.528	62%	0.617	S	S	.	*	H	α-helix	trans	-86.1	-36.6	-178.9	-75	165.9	0	0	0	111.2	L975 E976 D981 R982	L975-I979 HydrophobicContact CD2-CD1 4.1Å; L975-I979 HydrophobicContact CG-CD1 3.86Å; L975-I979 HydrophobicContact CG-CG1 4.46Å; L975-I979 WeakPolarHBondContact O-CB 3.45Å; L975-I979 WeakPolarHBondContact O-CD1 3.43Å; L975-I979 WeakPolarHBondContact O-CG1 3.39Å; L975-I979 PolarHBondContact O-N 3.04Å; E976-I979 PolarHBondContact O-N 2.9Å; E976-I979 VanDerWaalsContact O-N 3.11Å; I979-D981 PolarHBondContact O-N 3.2Å; I979-R982 PolarHBondContact O-N 2.98Å
980	T	33.1	Very low	32.9	Very low	111 Å²	111	120.5 Å²	120.5	68%	0.681	63%	0.626	S	S	*	*	H	α-helix	trans	-61.2	-32.1	174.4	42	0	0	0	0	112.8	E976 Q977 R982	E976-T980 PolarHBondContact O-N 3.2Å; E976-T980 PolarHBondContact O-OG1 2.71Å; E976-T980 VanDerWaalsContact O-OG1 3.1Å; Q977-T980 PolarHBondContact O-OG1 2.84Å; T980-R982 VanDerWaalsContact C-N 3.31Å; T980-R982 PolarHBondContact O-N 3.06Å
981	D	34.7	Very low	32.9	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-4.3	-177.1	-113	13.7	0	0	0	114.5	I979	I979-D981 PolarHBondContact O-N 3.2Å
982	R	34.4	Very low	33.1	Very low	217 Å²	217	118 Å²	118	82%	0.819	61%	0.608	S	S	*	*			trans	-135.5	63.6	-179.2	-68.8	-165.5	174.7	-164	-1.8	113.9	I979 T980	I979-R982 PolarHBondContact O-N 2.98Å; T980-R982 VanDerWaalsContact C-N 3.31Å; T980-R982 PolarHBondContact O-N 3.06Å
983	S	28.3	Very low	33.1	Very low	96 Å²	96	118.4 Å²	118.4	67%	0.671	62%	0.618	S	S	*	*			trans	-55	149.1	161.8	58.9	0	0	0	0	112.2
984	N	29.8	Very low	33.3	Very low	149 Å²	149	119.1 Å²	119.1	80%	0.797	62%	0.62	S	S	*	*	S	Bend	trans	75.9	73.7	-174.7	-45.2	-78.3	0	0	0	116.1
985	I	32.3	Very low	33.5	Very low	130 Å²	130	116 Å²	116	67%	0.667	61%	0.609	S	S	*	*				-171.9	102.6	119.6	-88.6	147.3	0	0	0	107.3	I987	I985-I987 HydrophobicContact CG2-CG1 4.48Å
986	M	26.7	Very low	33.6	Very low	195 Å²	195	118.6 Å²	118.6	96%	0.961	63%	0.627	S	S	*	*			trans	-105.9	116.3	160.2	-83.4	-173	173.4	0	0	107.4
987	I	34	Very low	33.8	Very low	124 Å²	124	122.9 Å²	122.9	64%	0.636	64%	0.64	S	S	*	*			trans	-133.3	136.7	167	-62.5	-178.5	0	0	0	107	I985 V989 L992	I985-I987 HydrophobicContact CG2-CG1 4.48Å; I987-V989 PolarHBondContact O-N 3.1Å; I987-V989 VanDerWaalsContact O-N 3.1Å; I987-L992 HydrophobicContact CG2-CD1 4.06Å
988	D	34.2	Very low	33.6	Very low	85 Å²	85	121.2 Å²	121.2	46%	0.455	64%	0.635	S	S	.	*			trans	-71	100.8	-163.3	-175.1	-12.9	0	0	0	113.4	Q990 N991 L992	D988-Q990 VanDerWaalsContact C-N 3.34Å; D988-Q990 PolarHBondContact O-N 3.33Å; D988-Q990 PolarHBondContact OD1-N 3.25Å; D988-N991 HydrophobicContact CB-CB 4.4Å; D988-N991 PolarHBondContact O-N 2.98Å; D988-N991 PolarHBondContact OD1-N 2.84Å; D988-N991 PolarHBondContact OD2-ND2 2.87Å; D988-L992 WeakPolarHBondContact O-CD1 3.34Å; D988-L992 PolarHBondContact O-N 3.42Å
989	V	35.6	Very low	33.6	Very low	96 Å²	96	122.3 Å²	122.3	58%	0.582	64%	0.644	S	S	*	*	H	α-helix	trans	-66.8	-31.8	-175.4	-177	0	0	0	0	112.5	I987 N991 L992 S993	I987-V989 PolarHBondContact O-N 3.1Å; I987-V989 VanDerWaalsContact O-N 3.1Å; V989-N991 VanDerWaalsContact C-N 3.34Å; V989-N991 PolarHBondContact O-N 2.75Å; V989-L992 PolarHBondContact O-N 3.21Å; V989-S993 PolarHBondContact O-N 2.88Å
990	Q	34.6	Very low	33.4	Very low	166 Å²	166	125.5 Å²	125.5	78%	0.776	66%	0.656	S	S	*	*	H	α-helix	trans	-68.4	-36.6	179.6	-74.8	-179.5	-56.9	0	0	111	D988 S993	D988-Q990 VanDerWaalsContact C-N 3.34Å; D988-Q990 PolarHBondContact O-N 3.33Å; D988-Q990 PolarHBondContact OD1-N 3.25Å; Q990-S993 PolarHBondContact O-OG 2.88Å
991	N	34.5	Very low	33.3	Very low	106 Å²	106	126.2 Å²	126.2	57%	0.567	66%	0.655	S	S	*	*	H	α-helix	trans	-72.2	-29.6	171.9	-83.7	-58.5	0	0	0	113.4	D988 V989 A995	D988-N991 HydrophobicContact CB-CB 4.4Å; D988-N991 PolarHBondContact O-N 2.98Å; D988-N991 PolarHBondContact OD1-N 2.84Å; D988-N991 PolarHBondContact OD2-ND2 2.87Å; V989-N991 VanDerWaalsContact C-N 3.34Å; V989-N991 PolarHBondContact O-N 2.75Å; N991-A995 PolarHBondContact O-N 2.98Å
992	L	37.1	Very low	33.5	Very low	64 Å²	64	125.2 Å²	125.2	34%	0.335	65%	0.649	S	S	.	*	H	α-helix	trans	-67.4	-38.8	175	-98.9	80.7	0	0	0	113.6	I987 D988 V989 T994 A995 V996 I1009	I987-L992 HydrophobicContact CG2-CD1 4.06Å; D988-L992 WeakPolarHBondContact O-CD1 3.34Å; D988-L992 PolarHBondContact O-N 3.42Å; V989-L992 PolarHBondContact O-N 3.21Å; L992-T994 PolarHBondContact O-N 2.96Å; L992-A995 PolarHBondContact O-N 3.2Å; L992-A995 VanDerWaalsContact O-N 3.1Å; L992-V996 WeakPolarHBondContact O-CG2 3.46Å; L992-V996 PolarHBondContact O-N 3.31Å; L992-I1009 HydrophobicContact CD2-CD1 4.14Å
993	S	33.7	Very low	33.4	Very low	71 Å²	71	122.7 Å²	122.7	50%	0.497	64%	0.644	S	S	.	*	H	α-helix	trans	-58.4	-39.4	178.8	68.5	0	0	0	0	112.3	V989 Q990	V989-S993 PolarHBondContact O-N 2.88Å; Q990-S993 PolarHBondContact O-OG 2.88Å
994	T	36.8	Very low	33.9	Very low	84 Å²	84	121.5 Å²	121.5	52%	0.515	64%	0.636	S	S	.	*	H	α-helix	trans	-73.3	-31.4	177.4	-50.4	0	0	0	0	111.9	L992 N998	L992-T994 PolarHBondContact O-N 2.96Å; T994-N998 PolarHBondContact O-ND2 2.88Å
995	A	36.4	Very low	34.2	Very low	43 Å²	43	117 Å²	117	36%	0.355	61%	0.614	S	S	.	*	H	α-helix	trans	-72.5	-39.1	175.5	0	0	0	0	0	112.9	N991 L992 Y997 N998	N991-A995 PolarHBondContact O-N 2.98Å; L992-A995 PolarHBondContact O-N 3.2Å; L992-A995 VanDerWaalsContact O-N 3.1Å; A995-Y997 PolarHBondContact O-N 3.25Å; A995-N998 CarbonylContact O-C 3.51Å; A995-N998 WeakPolarHBondContact O-CA 3.15Å; A995-N998 PolarHBondContact O-N 3.44Å
996	V	36.9	Very low	34.5	Very low	109 Å²	109	113.9 Å²	113.9	66%	0.661	60%	0.601	S	S	*	*	H	α-helix	trans	-61.7	-30.6	176.9	170.3	0	0	0	0	111.9	L992 N998	L992-V996 WeakPolarHBondContact O-CG2 3.46Å; L992-V996 PolarHBondContact O-N 3.31Å; V996-N998 PolarHBondContact O-N 2.91Å
997	Y	34.3	Very low	35.1	Very low	207 Å²	207	110.6 Å²	110.6	81%	0.812	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-11.7	173.7	-147.5	-93.1	0	0	0	113.7	A995	A995-Y997 PolarHBondContact O-N 3.25Å
998	N	32.1	Very low	35.4	Very low	106 Å²	106	110.4 Å²	110.4	57%	0.567	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	41.4	-171.2	-74.6	-71.9	0	0	0	114	T994 A995 V996 E1000	T994-N998 PolarHBondContact O-ND2 2.88Å; A995-N998 CarbonylContact O-C 3.51Å; A995-N998 WeakPolarHBondContact O-CA 3.15Å; A995-N998 PolarHBondContact O-N 3.44Å; V996-N998 PolarHBondContact O-N 2.91Å; N998-E1000 VanDerWaalsContact C-N 3.27Å; N998-E1000 PolarHBondContact O-N 2.89Å
999	N	31.3	Very low	35.6	Very low	163 Å²	163	108.2 Å²	108.2	87%	0.872	57%	0.571	S	S	*	*	S	Bend	trans	60.5	6.1	145.4	-129.8	7.5	0	0	0	120.2
1000	E	30.6	Very low	35.8	Very low	169 Å²	169	108.2 Å²	108.2	79%	0.79	57%	0.568	S	S	*	*			trans	-131.3	118.7	173.3	-66	-169.8	170.9	0	0	111.4	N998	N998-E1000 VanDerWaalsContact C-N 3.27Å; N998-E1000 PolarHBondContact O-N 2.89Å
1001	I	31.4	Very low	36.1	Very low	127 Å²	127	107.4 Å²	107.4	65%	0.651	56%	0.562	S	S	*	*			trans	173.4	155.5	149.8	-95.1	155.6	0	0	0	110.4	T1005	I1001-T1005 HydrophobicContact CG2-CG2 3.65Å
1002	N	39.1	Very low	36	Very low	122 Å²	122	108.6 Å²	108.6	65%	0.652	56%	0.559	S	S	*	*			trans	-66	148.7	-168.8	-89.6	-49.2	0	0	0	115.9	S1004 T1005 T1006	N1002-S1004 VanDerWaalsContact C-N 3.29Å; N1002-S1004 PolarHBondContact O-N 2.69Å; N1002-T1005 WeakPolarHBondContact O-CA 3.43Å; N1002-T1005 VanDerWaalsContact O-CB 3.26Å; N1002-T1005 WeakPolarHBondContact O-CB 3.49Å; N1002-T1005 PolarHBondContact O-N 2.63Å; N1002-T1006 PolarHBondContact O-N 3.49Å; N1002-T1006 PolarHBondContact O-OG1 2.8Å
1003	K	32.8	Very low	35.9	Very low	164 Å²	164	110.4 Å²	110.4	71%	0.713	56%	0.562	S	S	*	*	H	α-helix	trans	-54.8	-35.3	179.3	-161.4	175.6	-175.1	-179	0	114.5	T1005 T1006 E1007	K1003-T1005 VanDerWaalsContact C-N 3.35Å; K1003-T1006 WeakPolarHBondContact O-CB 3.34Å; K1003-T1006 PolarHBondContact O-N 2.68Å; K1003-E1007 WeakPolarHBondContact O-CG 3.19Å; K1003-E1007 PolarHBondContact O-N 3.49Å
1004	S	37.1	Very low	36	Very low	71 Å²	71	110.3 Å²	110.3	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-70.5	-30.1	174.8	53.3	0	0	0	0	113	N1002 L1008	N1002-S1004 VanDerWaalsContact C-N 3.29Å; N1002-S1004 PolarHBondContact O-N 2.69Å; S1004-L1008 WeakPolarHBondContact O-CB 3.3Å; S1004-L1008 WeakPolarHBondContact O-CG 3.48Å; S1004-L1008 PolarHBondContact O-N 3.24Å
1005	T	36.8	Very low	36	Very low	55 Å²	55	113.9 Å²	113.9	34%	0.337	57%	0.57	S	S	.	*	H	α-helix	trans	-72.6	-38.6	171.2	-42.7	0	0	0	0	110.2	I1001 N1002 K1003 L1008 I1009	I1001-T1005 HydrophobicContact CG2-CG2 3.65Å; N1002-T1005 WeakPolarHBondContact O-CA 3.43Å; N1002-T1005 VanDerWaalsContact O-CB 3.26Å; N1002-T1005 WeakPolarHBondContact O-CB 3.49Å; N1002-T1005 PolarHBondContact O-N 2.63Å; K1003-T1005 VanDerWaalsContact C-N 3.35Å; T1005-L1008 PolarHBondContact O-N 2.77Å; T1005-I1009 HydrophobicContact CG2-CD1 3.85Å; T1005-I1009 HydrophobicContact CG2-CG1 4.39Å; T1005-I1009 WeakPolarHBondContact O-CB 3.34Å; T1005-I1009 VanDerWaalsContact O-CG1 3.23Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.21Å; T1005-I1009 PolarHBondContact O-N 3.1Å
1006	T	38.1	Very low	36	Very low	65 Å²	65	116.1 Å²	116.1	40%	0.399	57%	0.573	S	S	.	*	H	α-helix	trans	-59.3	-44.8	170.6	-35.4	0	0	0	0	111.6	N1002 K1003 I1009 N1010	N1002-T1006 PolarHBondContact O-N 3.49Å; N1002-T1006 PolarHBondContact O-OG1 2.8Å; K1003-T1006 WeakPolarHBondContact O-CB 3.34Å; K1003-T1006 PolarHBondContact O-N 2.68Å; T1006-I1009 PolarHBondContact O-N 2.85Å; T1006-N1010 VanDerWaalsContact O-CB 3.28Å; T1006-N1010 WeakPolarHBondContact O-CB 3.5Å; T1006-N1010 PolarHBondContact O-N 2.95Å; T1006-N1010 PolarHBondContact O-OD1 2.91Å
1007	E	40.6	Very low	36	Very low	125 Å²	125	114 Å²	114	58%	0.584	56%	0.558	S	S	*	*	H	α-helix	trans	-63.4	-41.1	175.5	-75.8	173	173.5	0	0	112.4	K1003 K1011	K1003-E1007 WeakPolarHBondContact O-CG 3.19Å; K1003-E1007 PolarHBondContact O-N 3.49Å; E1007-K1011 WeakPolarHBondContact O-CB 3.13Å; E1007-K1011 PolarHBondContact O-N 3.35Å
1008	L	39.8	Very low	36.1	Very low	120 Å²	120	111.6 Å²	111.6	63%	0.628	55%	0.552	S	S	*	*	H	α-helix	trans	-67.2	-43.1	175.7	-81.3	165.1	0	0	0	112.7	S1004 T1005 K1011 Y1012	S1004-L1008 WeakPolarHBondContact O-CB 3.3Å; S1004-L1008 WeakPolarHBondContact O-CG 3.48Å; S1004-L1008 PolarHBondContact O-N 3.24Å; T1005-L1008 PolarHBondContact O-N 2.77Å; L1008-K1011 CarbonylContact O-C 3.51Å; L1008-K1011 PolarHBondContact O-N 3.36Å; L1008-Y1012 PolarHBondContact O-N 2.73Å
1009	I	38	Very low	36.4	Very low	40 Å²	40	112 Å²	112	21%	0.205	55%	0.553	C	S	.	*	H	α-helix	trans	-62.5	-49	175.9	-71.9	168.1	0	0	0	109.7	L992 T1005 T1006 K1011 Y1012 Y1013	L992-I1009 HydrophobicContact CD2-CD1 4.14Å; T1005-I1009 HydrophobicContact CG2-CD1 3.85Å; T1005-I1009 HydrophobicContact CG2-CG1 4.39Å; T1005-I1009 WeakPolarHBondContact O-CB 3.34Å; T1005-I1009 VanDerWaalsContact O-CG1 3.23Å; T1005-I1009 WeakPolarHBondContact O-CG1 3.21Å; T1005-I1009 PolarHBondContact O-N 3.1Å; T1006-I1009 PolarHBondContact O-N 2.85Å; I1009-K1011 PolarHBondContact O-N 3.49Å; I1009-Y1012 WeakPolarHBondContact O-CB 3.33Å; I1009-Y1012 PolarHBondContact O-N 3.24Å; I1009-Y1013 HydrophobicContact CG2-CD2 3.61Å; I1009-Y1013 HydrophobicContact CG2-CE2 3.79Å; I1009-Y1013 WeakPolarHBondContact O-CD2 3.49Å; I1009-Y1013 PolarHBondContact O-N 3.22Å
1010	N	40	Very low	36.8	Very low	96 Å²	96	110.3 Å²	110.3	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-60.9	-34	176	-70.3	-4.5	0	0	0	112.1	T1006 Y1012 S1014	T1006-N1010 VanDerWaalsContact O-CB 3.28Å; T1006-N1010 WeakPolarHBondContact O-CB 3.5Å; T1006-N1010 PolarHBondContact O-N 2.95Å; T1006-N1010 PolarHBondContact O-OD1 2.91Å; N1010-Y1012 VanDerWaalsContact C-N 3.34Å; N1010-S1014 WeakPolarHBondContact O-CB 3.44Å; N1010-S1014 PolarHBondContact O-N 2.66Å; N1010-S1014 PolarHBondContact O-OG 2.96Å
1011	K	40	Very low	37.5	Very low	149 Å²	149	105.4 Å²	105.4	65%	0.648	52%	0.522	S	S	*	.	H	α-helix	trans	-74.3	-20.6	175.7	-165.6	169.2	-172.2	172.3	0	113.8	E1007 L1008 I1009 S1014	E1007-K1011 WeakPolarHBondContact O-CB 3.13Å; E1007-K1011 PolarHBondContact O-N 3.35Å; L1008-K1011 CarbonylContact O-C 3.51Å; L1008-K1011 PolarHBondContact O-N 3.36Å; I1009-K1011 PolarHBondContact O-N 3.49Å; K1011-S1014 WeakPolarHBondContact CA-OG 3.4Å; K1011-S1014 PolarHBondContact O-OG 2.99Å
1012	Y	33.8	Very low	38.6	Very low	131 Å²	131	99.5 Å²	99.5	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-84.2	-52.6	171.6	-138.1	-83.9	0	0	0	110.4	L1008 I1009 N1010 S1014 K1015 E1016	L1008-Y1012 PolarHBondContact O-N 2.73Å; I1009-Y1012 WeakPolarHBondContact O-CB 3.33Å; I1009-Y1012 PolarHBondContact O-N 3.24Å; N1010-Y1012 VanDerWaalsContact C-N 3.34Å; Y1012-S1014 VanDerWaalsContact C-N 3.27Å; Y1012-S1014 PolarHBondContact O-N 2.9Å; Y1012-K1015 WeakPolarHBondContact O-CA 3.31Å; Y1012-K1015 WeakPolarHBondContact O-CB 3.33Å; Y1012-K1015 PolarHBondContact O-N 2.97Å; Y1012-E1016 HydrophobicContact CD1-CG 4.43Å; Y1012-E1016 WeakPolarHBondContact CD1-OE2 3.47Å; Y1012-E1016 PolarHBondContact O-N 2.68Å
1013	Y	34.4	Very low	39.7	Very low	101 Å²	101	95.5 Å²	95.5	40%	0.396	48%	0.476	S	S	.	.	H	α-helix	trans	-57.6	-34.6	175.3	-90.2	-90.6	0	0	0	112.9	I1009 K1015 E1016 N1017	I1009-Y1013 HydrophobicContact CG2-CD2 3.61Å; I1009-Y1013 HydrophobicContact CG2-CE2 3.79Å; I1009-Y1013 WeakPolarHBondContact O-CD2 3.49Å; I1009-Y1013 PolarHBondContact O-N 3.22Å; Y1013-K1015 VanDerWaalsContact C-N 3.25Å; Y1013-K1015 PolarHBondContact O-N 2.69Å; Y1013-E1016 PolarHBondContact O-N 2.83Å; Y1013-N1017 WeakPolarHBondContact O-CB 3.42Å; Y1013-N1017 VanDerWaalsContact O-CG 3.27Å; Y1013-N1017 PolarHBondContact O-N 3.21Å
1014	S	35.8	Very low	41.7	Very low	69 Å²	69	90.5 Å²	90.5	48%	0.483	46%	0.455	S	S	.	.	H	α-helix	trans	-73.1	-11.7	174.4	53.7	0	0	0	0	114.6	N1010 K1011 Y1012	N1010-S1014 WeakPolarHBondContact O-CB 3.44Å; N1010-S1014 PolarHBondContact O-N 2.66Å; N1010-S1014 PolarHBondContact O-OG 2.96Å; K1011-S1014 WeakPolarHBondContact CA-OG 3.4Å; K1011-S1014 PolarHBondContact O-OG 2.99Å; Y1012-S1014 VanDerWaalsContact C-N 3.27Å; Y1012-S1014 PolarHBondContact O-N 2.9Å
1015	K	37	Very low	43.8	Very low	160 Å²	160	87.6 Å²	87.6	70%	0.696	44%	0.435	S	S	*	.	H	α-helix	trans	-89.8	-41.4	166.4	-80	-167.7	167	-166.5	0	112.1	Y1012 Y1013 K1018	Y1012-K1015 WeakPolarHBondContact O-CA 3.31Å; Y1012-K1015 WeakPolarHBondContact O-CB 3.33Å; Y1012-K1015 PolarHBondContact O-N 2.97Å; Y1013-K1015 VanDerWaalsContact C-N 3.25Å; Y1013-K1015 PolarHBondContact O-N 2.69Å; K1015-K1018 WeakPolarHBondContact O-CB 3.38Å; K1015-K1018 PolarHBondContact O-N 3.44Å
1016	E	37	Very low	45.9	Very low	89 Å²	89	89 Å²	89	42%	0.416	44%	0.436	S	S	.	.	H	α-helix	trans	-77.2	-31.8	-179	-68.5	176.8	144.5	0	0	112.7	Y1012 Y1013 K1018 I1019 F1020	Y1012-E1016 HydrophobicContact CD1-CG 4.43Å; Y1012-E1016 WeakPolarHBondContact CD1-OE2 3.47Å; Y1012-E1016 PolarHBondContact O-N 2.68Å; Y1013-E1016 PolarHBondContact O-N 2.83Å; E1016-K1018 PolarHBondContact O-N 3.18Å; E1016-I1019 CarbonylContact O-C 3.58Å; E1016-I1019 WeakPolarHBondContact O-CA 3.37Å; E1016-I1019 VanDerWaalsContact O-CB 3.3Å; E1016-I1019 WeakPolarHBondContact O-CB 3.17Å; E1016-I1019 PolarHBondContact O-N 3.29Å; E1016-F1020 PolarHBondContact O-N 3.42Å
1017	N	36.9	Very low	48	Very low	66 Å²	66	91 Å²	91	35%	0.353	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-10.8	170.3	-69.3	-13.4	0	0	0	113.5	Y1013 I1019 F1020	Y1013-N1017 WeakPolarHBondContact O-CB 3.42Å; Y1013-N1017 VanDerWaalsContact O-CG 3.27Å; Y1013-N1017 PolarHBondContact O-N 3.21Å; N1017-I1019 VanDerWaalsContact C-N 3.31Å; N1017-F1020 CarbonylContact O-C 3.23Å
1018	K	36.5	Very low	50.1	Low	156 Å²	156	85.4 Å²	85.4	68%	0.678	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.6	163.3	-81.3	-169.6	172.5	-169.8	0	112.2	K1015 E1016 S1021	K1015-K1018 WeakPolarHBondContact O-CB 3.38Å; K1015-K1018 PolarHBondContact O-N 3.44Å; E1016-K1018 PolarHBondContact O-N 3.18Å; K1018-S1021 PolarHBondContact O-OG 3.33Å
1019	I	37	Very low	52.2	Low	113 Å²	113	80.7 Å²	80.7	58%	0.579	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-40.6	173.6	-56.8	168.8	0	0	0	109.4	E1016 N1017 S1021	E1016-I1019 CarbonylContact O-C 3.58Å; E1016-I1019 WeakPolarHBondContact O-CA 3.37Å; E1016-I1019 VanDerWaalsContact O-CB 3.3Å; E1016-I1019 WeakPolarHBondContact O-CB 3.17Å; E1016-I1019 PolarHBondContact O-N 3.29Å; N1017-I1019 VanDerWaalsContact C-N 3.31Å; I1019-S1021 PolarHBondContact O-N 3.13Å; I1019-S1021 VanDerWaalsContact O-N 3.09Å
1020	F	39.5	Very low	54.4	Low	129 Å²	129	82.8 Å²	82.8	57%	0.566	40%	0.402	S	S	*	.	S	Bend	trans	-82.8	47.6	171.9	-89.8	-86.5	0	0	0	114.1	L968 E1016 N1017 S1022	L968-F1020 HydrophobicContact CD2-CE1 4.02Å; L968-F1020 HydrophobicContact CD2-CZ 3.87Å; E1016-F1020 PolarHBondContact O-N 3.42Å; N1017-F1020 CarbonylContact O-C 3.23Å; F1020-S1022 VanDerWaalsContact C-N 3.3Å; F1020-S1022 PolarHBondContact O-N 2.92Å
1021	S	46.6	Very low	56.6	Low	66 Å²	66	80.1 Å²	80.1	46%	0.462	39%	0.387	S	S	.	.	S	Bend	trans	-78.5	71.5	178.3	44.5	0	0	0	0	112.8	K1018 I1019	K1018-S1021 PolarHBondContact O-OG 3.33Å; I1019-S1021 PolarHBondContact O-N 3.13Å; I1019-S1021 VanDerWaalsContact O-N 3.09Å
1022	S	53	Low	58.8	Low	3 Å²	3	73.2 Å²	73.2	2%	0.021	36%	0.358	C	S	.	.			trans	42.6	84.7	178.8	57.4	0	0	0	0	113.7	S942 R951 F1020 Q1024	S942-S1022 PolarHBondContact OG-O 3.21Å; S942-S1022 VanDerWaalsContact OG-O 3.13Å; R951-S1022 PolarHBondContact NE-OG 3.24Å; R951-S1022 PolarHBondContact NH1-OG 3.43Å; R951-S1022 PolarHBondContact NH2-OG 3.1Å; F1020-S1022 VanDerWaalsContact C-N 3.3Å; F1020-S1022 PolarHBondContact O-N 2.92Å; S1022-Q1024 PolarHBondContact O-N 3.2Å
1023	A	63.9	Low	61.2	Low	37 Å²	37	68.8 Å²	68.8	31%	0.306	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-50.6	131.4	-170	0	0	0	0	0	112.1	W941 S942	W941-A1023 CarbonylContact C-O 3.37Å; W941-A1023 VanDerWaalsContact CA-O 3.25Å; W941-A1023 WeakPolarHBondContact CA-O 3.24Å; W941-A1023 HydrophobicContact CD2-CB 4.1Å; W941-A1023 HydrophobicContact CE3-CB 3.47Å; W941-A1023 VanDerWaalsContact CE3-CB 3.47Å; W941-A1023 VanDerWaalsContact CE3-O 3.28Å; W941-A1023 HydrophobicContact CH2-CB 3.77Å; W941-A1023 HydrophobicContact CZ2-CB 4.37Å; W941-A1023 HydrophobicContact CZ3-CB 3.28Å; S942-A1023 PolarHBondContact N-O 3.41Å
1024	Q	73.7	Confident	63.3	Low	59 Å²	59	68.4 Å²	68.4	28%	0.276	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-87.3	129.2	-173.8	-70.8	-171.1	-32.4	0	0	111.2	S942 E944 S1022	S942-Q1024 WeakPolarHBondContact O-CA 3.15Å; E944-Q1024 PolarHBondContact OE1-NE2 2.79Å; S1022-Q1024 PolarHBondContact O-N 3.2Å
1025	C	80.8	Confident	65.1	Low	10 Å²	10	69.4 Å²	69.4	7%	0.068	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.3	143.6	161.9	-57.1	0	0	0	0	109.5	S942 I943 M954 C957 F963	S942-C1025 PolarHBondContact O-N 2.81Å; I943-C1025 HydrophobicContact CD1-CB 4.26Å; I943-C1025 HydrophobicContact CG1-CB 3.7Å; M954-C1025 VanDerWaalsContact SD-SG 3.68Å; C957-C1025 VanDerWaalsContact CA-SG 3.52Å; C957-C1025 HydrophobicContact CB-CB 3.62Å; C957-C1025 WeakPolarHBondContact CB-SG 3.45Å; C957-C1025 WeakPolarHBondContact SG-CA 3.1Å; C957-C1025 WeakPolarHBondContact SG-CB 3.5Å; C957-C1025 CovalentContact SG-SG 2.03Å; C957-C1025 PolarHBondContact SG-SG 3.18Å; F963-C1025 HydrophobicContact CD1-CB 4.05Å
1026	K	81	Confident	66.6	Low	86 Å²	86	68 Å²	68	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.9	179.4	-64	-60.4	179.8	-172.8	0	110.2	F963 Y964 P966	F963-K1026 CarbonylContact C-O 3.43Å; F963-K1026 VanDerWaalsContact CA-O 3.3Å; F963-K1026 WeakPolarHBondContact CA-O 3.33Å; Y964-K1026 HydrophobicContact CD1-CB 4.14Å; Y964-K1026 WeakPolarHBondContact CD1-O 3.22Å; Y964-K1026 HydrophobicContact CE1-CB 3.41Å; Y964-K1026 VanDerWaalsContact CE1-CB 3.41Å; Y964-K1026 HydrophobicContact CE2-CB 4.34Å; Y964-K1026 PolarHBondContact N-O 3.18Å; Y964-K1026 PolarHBondContact O-N 3.11Å; Y964-K1026 WeakPolarHBondContact OH-CB 3.38Å; P966-K1026 HydrophobicContact CG-CB 4.15Å; P966-K1026 HydrophobicContact CG-CG 3.59Å
1027	K	82.8	Confident	68.5	Low	107 Å²	107	69.9 Å²	69.9	47%	0.465	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	141.2	-176.8	-162.4	-160.8	170.8	-170.8	0	110.1	F963 D1030	F963-K1027 HydrophobicContact CE1-CB 4.35Å; K1027-D1030 IonicContact NZ-OD1 2.64Å; K1027-D1030 PolarHBondContact NZ-OD1 2.82Å; K1027-D1030 IonicContact NZ-OD2 3.54Å; K1027-D1030 PolarHBondContact NZ-OD2 2.78Å
1028	C	84.2	Confident	70.6	Confident	6 Å²	6	66.9 Å²	66.9	4%	0.041	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.1	163.1	166.1	-59.4	0	0	0	0	111.7	G962 T1038 C1039	G962-C1028 PolarHBondContact O-N 3.03Å; C1028-T1038 HydrophobicContact CB-CG2 3.83Å; C1028-C1039 WeakPolarHBondContact CA-SG 3.16Å; C1028-C1039 HydrophobicContact CB-CB 3.69Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.42Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.4Å; C1028-C1039 CovalentContact SG-SG 2.03Å; C1028-C1039 PolarHBondContact SG-SG 3.32Å
1029	S	85.4	Confident	73	Confident	21 Å²	21	59.8 Å²	59.8	15%	0.147	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-60	140.3	168.7	172.9	0	0	0	0	111.3	M1031 C1032 P1042 D1044	S1029-M1031 PolarHBondContact O-N 3.09Å; S1029-M1031 VanDerWaalsContact O-N 3.09Å; S1029-M1031 WeakPolarHBondContact OG-CB 3.34Å; S1029-M1031 PolarHBondContact OG-N 2.8Å; S1029-M1031 VanDerWaalsContact OG-N 3.08Å; S1029-C1032 WeakPolarHBondContact O-CB 3.48Å; S1029-C1032 PolarHBondContact O-N 2.97Å; S1029-C1032 PolarHBondContact O-SG 3.13Å; S1029-P1042 WeakPolarHBondContact CB-O 3.17Å; S1029-P1042 PolarHBondContact N-O 2.93Å; S1029-D1044 WeakPolarHBondContact CB-OD1 3.3Å; S1029-D1044 PolarHBondContact OG-OD1 2.85Å
1030	D	83.5	Confident	75.4	Confident	84 Å²	84	61 Å²	61	45%	0.449	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.3	171.9	-72.5	-67.1	0	0	0	113.6	K1027 R1052	K1027-D1030 IonicContact NZ-OD1 2.64Å; K1027-D1030 PolarHBondContact NZ-OD1 2.82Å; K1027-D1030 IonicContact NZ-OD2 3.54Å; K1027-D1030 PolarHBondContact NZ-OD2 2.78Å; D1030-R1052 WeakPolarHBondContact O-CD 3.33Å; D1030-R1052 PolarHBondContact O-NH1 3.32Å
1031	M	86.7	Confident	77.4	Confident	41 Å²	41	55 Å²	55	20%	0.202	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.4	171.5	-58.3	-58.1	108.4	0	0	113.4	S1029 D1044 R1052 F1053 C1060 A1062	S1029-M1031 PolarHBondContact O-N 3.09Å; S1029-M1031 VanDerWaalsContact O-N 3.09Å; S1029-M1031 WeakPolarHBondContact OG-CB 3.34Å; S1029-M1031 PolarHBondContact OG-N 2.8Å; S1029-M1031 VanDerWaalsContact OG-N 3.08Å; M1031-D1044 VanDerWaalsContact CG-OD1 3.26Å; M1031-D1044 WeakPolarHBondContact CG-OD1 3.27Å; M1031-R1052 WeakPolarHBondContact O-CB 3.47Å; M1031-R1052 PolarHBondContact O-N 3.03Å; M1031-F1053 HydrophobicContact CE-CE2 4.2Å; M1031-F1053 HydrophobicContact SD-CD2 4.01Å; M1031-F1053 HydrophobicContact SD-CE2 4.29Å; M1031-C1060 HydrophobicContact CB-CB 3.77Å; M1031-A1062 HydrophobicContact SD-CB 4.04Å; M1031-A1062 PolarHBondContact SD-N 2.82Å; M1031-A1062 VanDerWaalsContact SD-N 3.43Å
1032	C	85.3	Confident	79	Confident	4 Å²	4	55 Å²	55	3%	0.027	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-75.6	150.6	174.9	-51.9	0	0	0	0	111.3	S1029 T1038 C1047	S1029-C1032 WeakPolarHBondContact O-CB 3.48Å; S1029-C1032 PolarHBondContact O-N 2.97Å; S1029-C1032 PolarHBondContact O-SG 3.13Å; C1032-T1038 HydrophobicContact CB-CG2 3.64Å; C1032-C1047 WeakPolarHBondContact CA-SG 3.31Å; C1032-C1047 HydrophobicContact CB-CB 3.67Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.17Å; C1032-C1047 WeakPolarHBondContact SG-CA 3.45Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.3Å; C1032-C1047 CovalentContact SG-SG 2.04Å; C1032-C1047 PolarHBondContact SG-SG 2.96Å
1033	S	83.6	Confident	80.2	Confident	38 Å²	38	58.8 Å²	58.8	27%	0.266	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-80.5	130.3	169.3	-172.3	0	0	0	0	110.2	Q1035 L1050	S1033-Q1035 PolarHBondContact O-N 3.49Å; S1033-L1050 WeakPolarHBondContact CB-O 3.24Å; S1033-L1050 PolarHBondContact N-O 3.46Å
1034	L	80.2	Confident	81.1	Confident	93 Å²	93	59.6 Å²	59.6	49%	0.487	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-61.6	119.8	175	-67.4	170.4	0	0	0	110.3
1035	Q	72.6	Confident	81.6	Confident	90 Å²	90	59.5 Å²	59.5	42%	0.421	30%	0.302	S	S	.	.			trans	-156.1	160.6	177.4	-59.6	-172.1	3.5	0	0	108.5	S1033 Q1037 T1038	S1033-Q1035 PolarHBondContact O-N 3.49Å; Q1035-Q1037 PolarHBondContact O-N 3Å; Q1035-T1038 PolarHBondContact N-OG1 3.22Å; Q1035-T1038 PolarHBondContact O-N 2.8Å; Q1035-T1038 VanDerWaalsContact O-N 3.11Å; Q1035-T1038 PolarHBondContact O-OG1 3.45Å
1036	N	68.6	Low	81.9	Confident	131 Å²	131	61 Å²	61	70%	0.701	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	131.9	166.9	-78.4	9.5	0	0	0	109.5
1037	Q	76.1	Confident	82.1	Confident	128 Å²	128	57.9 Å²	57.9	60%	0.598	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	55.3	-168.7	-55.9	178.6	-2.9	0	0	112.6	E958 Q1035 C1039 I1048	E958-Q1037 HydrophobicContact CG-CG 4.27Å; Q1035-Q1037 PolarHBondContact O-N 3Å; Q1037-C1039 VanDerWaalsContact C-N 3.26Å; Q1037-C1039 PolarHBondContact O-N 2.72Å; Q1037-I1048 HydrophobicContact CB-CD1 4.48Å; Q1037-I1048 WeakPolarHBondContact O-CB 3.34Å; Q1037-I1048 WeakPolarHBondContact O-CD1 3.48Å
1038	T	81.8	Confident	82	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.29	C	S	.	.			trans	-55.6	-32.7	-177.1	-63.1	0	0	0	0	114.2	G962 C1028 C1032 Q1035 I1048	G962-T1038 PolarHBondContact N-OG1 3.19Å; G962-T1038 VanDerWaalsContact N-OG1 3.15Å; C1028-T1038 HydrophobicContact CB-CG2 3.83Å; C1032-T1038 HydrophobicContact CB-CG2 3.64Å; Q1035-T1038 PolarHBondContact N-OG1 3.22Å; Q1035-T1038 PolarHBondContact O-N 2.8Å; Q1035-T1038 VanDerWaalsContact O-N 3.11Å; Q1035-T1038 PolarHBondContact O-OG1 3.45Å; T1038-I1048 PolarHBondContact O-N 2.69Å
1039	C	87.4	Confident	81.6	Confident	7 Å²	7	58.5 Å²	58.5	5%	0.047	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-156.3	168	-177.8	69.7	0	0	0	0	111.6	Y964 C1028 Q1037 G1041 Q1046	Y964-C1039 WeakPolarHBondContact CD1-SG 3.22Å; C1028-C1039 WeakPolarHBondContact CA-SG 3.16Å; C1028-C1039 HydrophobicContact CB-CB 3.69Å; C1028-C1039 WeakPolarHBondContact CB-SG 3.42Å; C1028-C1039 WeakPolarHBondContact SG-CB 3.4Å; C1028-C1039 CovalentContact SG-SG 2.03Å; C1028-C1039 PolarHBondContact SG-SG 3.32Å; Q1037-C1039 VanDerWaalsContact C-N 3.26Å; Q1037-C1039 PolarHBondContact O-N 2.72Å; C1039-G1041 WeakPolarHBondContact CB-O 3.13Å; C1039-G1041 PolarHBondContact SG-O 3.4Å; C1039-Q1046 WeakPolarHBondContact CA-O 3.33Å; C1039-Q1046 VanDerWaalsContact CB-O 3.29Å; C1039-Q1046 WeakPolarHBondContact CB-O 3.23Å
1040	Y	85.9	Confident	81.2	Confident	138 Å²	138	63.8 Å²	63.8	54%	0.541	35%	0.345	S	S	.	.	S	Bend	trans	-112.2	8.2	168.4	58.7	-99.1	0	0	0	113.5	D1045 Q1046 I1048	Y1040-D1045 PolarHBondContact OH-O 3.45Å; Y1040-Q1046 HydrophobicContact CD2-CB 4.08Å; Y1040-Q1046 HydrophobicContact CD2-CG 4.3Å; Y1040-Q1046 HydrophobicContact CE2-CB 3.74Å; Y1040-Q1046 HydrophobicContact CE2-CG 3.67Å; Y1040-Q1046 PolarHBondContact N-O 3.24Å; Y1040-Q1046 VanDerWaalsContact N-O 3.08Å; Y1040-I1048 HydrophobicContact CD1-CD1 4.07Å; Y1040-I1048 HydrophobicContact CD1-CG1 3.79Å; Y1040-I1048 HydrophobicContact CE1-CG1 4.41Å
1041	G	81.3	Confident	81.2	Confident	3 Å²	3	60.4 Å²	60.4	3%	0.031	33%	0.328	C	S	.	.	S	Bend	trans	-178	171.6	-178.2	0	0	0	0	0	111.5	C1039 N1043 Q1046	C1039-G1041 WeakPolarHBondContact CB-O 3.13Å; C1039-G1041 PolarHBondContact SG-O 3.4Å; G1041-N1043 PolarHBondContact O-N 3.05Å; G1041-Q1046 VanDerWaalsContact CA-OE1 3.29Å
1042	P	80.2	Confident	81.1	Confident	65 Å²	65	64.1 Å²	64.1	42%	0.422	34%	0.339	S	S	.	.	S	Bend	trans	-81	-12.8	-167.8	32.8	-35.4	0	0	0	114.6	Y964 S1029 Q1046	Y964-P1042 WeakPolarHBondContact OH-CD 3.23Å; S1029-P1042 WeakPolarHBondContact CB-O 3.17Å; S1029-P1042 PolarHBondContact N-O 2.93Å; P1042-Q1046 VanDerWaalsContact N-OE1 3.15Å
1043	N	78.9	Confident	81.1	Confident	83 Å²	83	68 Å²	68	44%	0.444	36%	0.356	S	S	.	.	S	Bend	trans	-87.6	162	-169.1	-58.5	-19.2	0	0	0	114.1	G1041 D1045 Q1046	G1041-N1043 PolarHBondContact O-N 3.05Å; N1043-D1045 WeakPolarHBondContact CB-OD1 3.48Å; N1043-D1045 PolarHBondContact O-N 2.89Å; N1043-Q1046 HydrophobicContact CB-CG 4.04Å; N1043-Q1046 PolarHBondContact O-N 3.37Å
1044	D	82.6	Confident	81.2	Confident	54 Å²	54	66.7 Å²	66.7	29%	0.289	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.2	176.9	-71.7	-15.8	0	0	0	114.8	S1029 M1031 F1059 C1060	S1029-D1044 WeakPolarHBondContact CB-OD1 3.3Å; S1029-D1044 PolarHBondContact OG-OD1 2.85Å; M1031-D1044 VanDerWaalsContact CG-OD1 3.26Å; M1031-D1044 WeakPolarHBondContact CG-OD1 3.27Å; D1044-F1059 HydrophobicContact CB-CB 4.48Å; D1044-F1059 HydrophobicContact CB-CD1 4.4Å; D1044-C1060 WeakPolarHBondContact CB-O 3.43Å; D1044-C1060 WeakPolarHBondContact O-CB 3.43Å; D1044-C1060 PolarHBondContact O-N 2.98Å
1045	D	84.1	Confident	81.4	Confident	58 Å²	58	65.4 Å²	65.4	31%	0.31	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	2.5	174.5	62.5	-55.8	0	0	0	113.9	Y1040 N1043 P1058 F1059	Y1040-D1045 PolarHBondContact OH-O 3.45Å; N1043-D1045 WeakPolarHBondContact CB-OD1 3.48Å; N1043-D1045 PolarHBondContact O-N 2.89Å; D1045-P1058 HydrophobicContact CB-CB 4.41Å; D1045-F1059 HydrophobicContact CB-CD1 3.69Å; D1045-F1059 HydrophobicContact CB-CE1 3.82Å
1046	Q	87.6	Confident	81.9	Confident	41 Å²	41	61.1 Å²	61.1	19%	0.192	32%	0.318	C	S	.	.			trans	-114.9	9.6	-173.4	-59.9	178.3	-39.3	0	0	113.6	C1039 Y1040 G1041 P1042 N1043	C1039-Q1046 WeakPolarHBondContact CA-O 3.33Å; C1039-Q1046 VanDerWaalsContact CB-O 3.29Å; C1039-Q1046 WeakPolarHBondContact CB-O 3.23Å; Y1040-Q1046 HydrophobicContact CD2-CB 4.08Å; Y1040-Q1046 HydrophobicContact CD2-CG 4.3Å; Y1040-Q1046 HydrophobicContact CE2-CB 3.74Å; Y1040-Q1046 HydrophobicContact CE2-CG 3.67Å; Y1040-Q1046 PolarHBondContact N-O 3.24Å; Y1040-Q1046 VanDerWaalsContact N-O 3.08Å; G1041-Q1046 VanDerWaalsContact CA-OE1 3.29Å; P1042-Q1046 VanDerWaalsContact N-OE1 3.15Å; N1043-Q1046 HydrophobicContact CB-CG 4.04Å; N1043-Q1046 PolarHBondContact O-N 3.37Å
1047	C	86.3	Confident	82.5	Confident	20 Å²	20	56.8 Å²	56.8	14%	0.135	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-66	141.2	170.5	-57.1	0	0	0	0	111.5	C1032	C1032-C1047 WeakPolarHBondContact CA-SG 3.31Å; C1032-C1047 HydrophobicContact CB-CB 3.67Å; C1032-C1047 WeakPolarHBondContact CB-SG 3.17Å; C1032-C1047 WeakPolarHBondContact SG-CA 3.45Å; C1032-C1047 WeakPolarHBondContact SG-CB 3.3Å; C1032-C1047 CovalentContact SG-SG 2.04Å; C1032-C1047 PolarHBondContact SG-SG 2.96Å
1048	I	79	Confident	82.8	Confident	65 Å²	65	54.2 Å²	54.2	33%	0.333	30%	0.299	S	S	.	.	S	Bend	trans	-97.6	134.6	171.6	-66.1	169.6	0	0	0	108.3	Q1037 T1038 Y1040	Q1037-I1048 HydrophobicContact CB-CD1 4.48Å; Q1037-I1048 WeakPolarHBondContact O-CB 3.34Å; Q1037-I1048 WeakPolarHBondContact O-CD1 3.48Å; T1038-I1048 PolarHBondContact O-N 2.69Å; Y1040-I1048 HydrophobicContact CD1-CD1 4.07Å; Y1040-I1048 HydrophobicContact CD1-CG1 3.79Å; Y1040-I1048 HydrophobicContact CE1-CG1 4.41Å
1049	G	76	Confident	83	Confident	62 Å²	62	56.6 Å²	56.6	64%	0.639	31%	0.309	S	S	*	.	S	Bend	trans	84.6	-139	-179.1	0	0	0	0	0	113.8
1050	L	77.4	Confident	82.9	Confident	131 Å²	131	56.5 Å²	56.5	69%	0.686	31%	0.308	S	S	*	.	S	Bend	trans	-92.1	141.3	-175.7	-68.1	173.3	0	0	0	112	S1033	S1033-L1050 WeakPolarHBondContact CB-O 3.24Å; S1033-L1050 PolarHBondContact N-O 3.46Å
1051	C	84.5	Confident	82.7	Confident	14 Å²	14	52.5 Å²	52.5	10%	0.095	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-61	141	169	-59.8	0	0	0	0	111.3	F1053 V1054 C1060	C1051-F1053 VanDerWaalsContact C-N 3.27Å; C1051-F1053 PolarHBondContact O-N 2.72Å; C1051-V1054 WeakPolarHBondContact CB-O 2.99Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.31Å; C1051-C1060 HydrophobicContact CB-CB 3.6Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.34Å; C1051-C1060 WeakPolarHBondContact SG-CA 3Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.22Å; C1051-C1060 CovalentContact SG-SG 2.04Å; C1051-C1060 PolarHBondContact SG-SG 3.4Å
1052	R	84.3	Confident	82.4	Confident	118 Å²	118	53.6 Å²	53.6	45%	0.445	30%	0.301	S	S	.	.	S	Bend	trans	-59	-38.1	179.6	-172.2	177.5	-175	173.1	6.2	112.9	D1030 M1031	D1030-R1052 WeakPolarHBondContact O-CD 3.33Å; D1030-R1052 PolarHBondContact O-NH1 3.32Å; M1031-R1052 WeakPolarHBondContact O-CB 3.47Å; M1031-R1052 PolarHBondContact O-N 3.03Å
1053	F	85	Confident	82.1	Confident	85 Å²	85	55.9 Å²	55.9	37%	0.373	30%	0.302	S	S	.	.	S	Bend	trans	-116	-82.3	-176.8	-56.3	-74	0	0	0	111.5	M1031 C1051 R1061 A1062	M1031-F1053 HydrophobicContact CE-CE2 4.2Å; M1031-F1053 HydrophobicContact SD-CD2 4.01Å; M1031-F1053 HydrophobicContact SD-CE2 4.29Å; C1051-F1053 VanDerWaalsContact C-N 3.27Å; C1051-F1053 PolarHBondContact O-N 2.72Å; F1053-R1061 WeakPolarHBondContact CB-O 3.19Å; F1053-A1062 HydrophobicContact CD2-CB 4.23Å
1054	V	84.9	Confident	81.9	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.3	179.4	-60	0	0	0	0	112.7	C1051 C1060 R1061 T1070 K1075	C1051-V1054 WeakPolarHBondContact CB-O 2.99Å; V1054-C1060 WeakPolarHBondContact O-CA 3.33Å; V1054-R1061 HydrophobicContact CG2-CB 4.27Å; V1054-R1061 WeakPolarHBondContact CG2-O 3.5Å; V1054-R1061 PolarHBondContact N-O 3.19Å; V1054-R1061 PolarHBondContact O-N 3.49Å; V1054-T1070 HydrophobicContact CB-CG2 4.47Å; V1054-T1070 HydrophobicContact CG1-CG2 3.45Å; V1054-T1070 VanDerWaalsContact CG1-CG2 3.45Å; V1054-K1075 CarbonylContact C-O 3.56Å; V1054-K1075 VanDerWaalsContact CA-O 3.24Å; V1054-K1075 WeakPolarHBondContact CA-O 3.39Å; V1054-K1075 WeakPolarHBondContact CB-O 3.46Å
1055	Q	85	Confident	81.2	Confident	67 Å²	67	50.7 Å²	50.7	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.7	177.1	-173.3	177.4	40.1	0	0	111.8	G1057 K1075 K1076 C1077	Q1055-G1057 VanDerWaalsContact CG-O 3.31Å; Q1055-G1057 WeakPolarHBondContact CG-O 3.16Å; Q1055-K1075 PolarHBondContact N-O 3.36Å; Q1055-K1076 HydrophobicContact CB-CG 4.31Å; Q1055-K1076 CarbonylContact O-C 3.58Å; Q1055-K1076 WeakPolarHBondContact O-CA 3.29Å; Q1055-K1076 VanDerWaalsContact OE1-CE 3.27Å; Q1055-C1077 PolarHBondContact O-N 3.49Å
1056	D	83.6	Confident	80.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	94.1	177.2	-180	44.6	0	0	0	110.1	Y628 F1059 R1061 P1065 K1068 C1077	Y628-D1056 PolarHBondContact OH-OD2 2.89Å; D1056-F1059 PolarHBondContact N-O 2.7Å; D1056-F1059 PolarHBondContact O-N 3.15Å; D1056-R1061 HydrophobicContact CB-CG 4.23Å; D1056-R1061 IonicContact OD2-CZ 3.13Å; D1056-R1061 VanDerWaalsContact OD2-CZ 3.3Å; D1056-R1061 IonicContact OD2-NE 2.78Å; D1056-R1061 PolarHBondContact OD2-NE 3.11Å; D1056-R1061 IonicContact OD2-NH2 2.69Å; D1056-R1061 PolarHBondContact OD2-NH2 2.93Å; D1056-P1065 WeakPolarHBondContact OD2-CG 3.3Å; D1056-K1068 IonicContact OD1-NZ 2.63Å; D1056-K1068 PolarHBondContact OD1-NZ 3.39Å; D1056-C1077 HydrophobicContact CB-CB 4.18Å
1057	G	81	Confident	79.2	Confident	40 Å²	40	51.3 Å²	51.3	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-132	-169.2	0	0	0	0	0	110.7	Q1055 F1059	Q1055-G1057 VanDerWaalsContact CG-O 3.31Å; Q1055-G1057 WeakPolarHBondContact CG-O 3.16Å; G1057-F1059 VanDerWaalsContact C-N 3.31Å
1058	P	82.5	Confident	78.8	Confident	74 Å²	74	51.3 Å²	51.3	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.8	174.7	32.8	-34.2	0	0	0	113.2	D1045	D1045-P1058 HydrophobicContact CB-CB 4.41Å
1059	F	84.6	Confident	78.7	Confident	52 Å²	52	49.4 Å²	49.4	23%	0.228	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.6	-171.3	-55.9	-76.9	0	0	0	112.7	F633 D1044 D1045 D1056 G1057	F633-F1059 HydrophobicContact CB-CD2 4.12Å; F633-F1059 HydrophobicContact CB-CE2 4.05Å; D1044-F1059 HydrophobicContact CB-CB 4.48Å; D1044-F1059 HydrophobicContact CB-CD1 4.4Å; D1045-F1059 HydrophobicContact CB-CD1 3.69Å; D1045-F1059 HydrophobicContact CB-CE1 3.82Å; D1056-F1059 PolarHBondContact N-O 2.7Å; D1056-F1059 PolarHBondContact O-N 3.15Å; G1057-F1059 VanDerWaalsContact C-N 3.31Å
1060	C	86.3	Confident	78.8	Confident	6 Å²	6	48.7 Å²	48.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	137.9	160.9	-63.9	0	0	0	0	110.5	M1031 D1044 C1051 V1054	M1031-C1060 HydrophobicContact CB-CB 3.77Å; D1044-C1060 WeakPolarHBondContact CB-O 3.43Å; D1044-C1060 WeakPolarHBondContact O-CB 3.43Å; D1044-C1060 PolarHBondContact O-N 2.98Å; C1051-C1060 WeakPolarHBondContact CA-SG 3.31Å; C1051-C1060 HydrophobicContact CB-CB 3.6Å; C1051-C1060 WeakPolarHBondContact CB-SG 3.34Å; C1051-C1060 WeakPolarHBondContact SG-CA 3Å; C1051-C1060 WeakPolarHBondContact SG-CB 3.22Å; C1051-C1060 CovalentContact SG-SG 2.04Å; C1051-C1060 PolarHBondContact SG-SG 3.4Å; V1054-C1060 WeakPolarHBondContact O-CA 3.33Å
1061	R	81.6	Confident	78.9	Confident	53 Å²	53	43.7 Å²	43.7	20%	0.2	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.9	176.4	-57	-163.9	-163.3	-70.5	5.1	111	Y628 F633 F1053 V1054 D1056	Y628-R1061 PolarHBondContact OH-NH2 3.45Å; F633-R1061 PolarHBondContact O-NH2 2.67Å; F1053-R1061 WeakPolarHBondContact CB-O 3.19Å; V1054-R1061 HydrophobicContact CG2-CB 4.27Å; V1054-R1061 WeakPolarHBondContact CG2-O 3.5Å; V1054-R1061 PolarHBondContact N-O 3.19Å; V1054-R1061 PolarHBondContact O-N 3.49Å; D1056-R1061 HydrophobicContact CB-CG 4.23Å; D1056-R1061 IonicContact OD2-CZ 3.13Å; D1056-R1061 VanDerWaalsContact OD2-CZ 3.3Å; D1056-R1061 IonicContact OD2-NE 2.78Å; D1056-R1061 PolarHBondContact OD2-NE 3.11Å; D1056-R1061 IonicContact OD2-NH2 2.69Å; D1056-R1061 PolarHBondContact OD2-NH2 2.93Å
1062	A	74.7	Confident	78	Confident	27 Å²	27	48.6 Å²	48.6	22%	0.223	26%	0.258	C	S	.	.	S	Bend	trans	-66.4	-35.3	171.1	0	0	0	0	0	113	M1031 F1053	M1031-A1062 HydrophobicContact SD-CB 4.04Å; M1031-A1062 PolarHBondContact SD-N 2.82Å; M1031-A1062 VanDerWaalsContact SD-N 3.43Å; F1053-A1062 HydrophobicContact CD2-CB 4.23Å
1063	Y	73.3	Confident	77.4	Confident	113 Å²	113	50.2 Å²	50.2	44%	0.443	27%	0.274	S	S	.	.	S	Bend	trans	-145.5	152.7	-175.1	-49	-66.4	0	0	0	110.8	N1108	Y1063-N1108 HydrophobicContact CE1-CB 4.45Å; Y1063-N1108 VanDerWaalsContact CE1-ND2 3.26Å; Y1063-N1108 WeakPolarHBondContact CE1-ND2 3.33Å; Y1063-N1108 VanDerWaalsContact CZ-ND2 3.31Å; Y1063-N1108 VanDerWaalsContact CZ-OD1 3.3Å; Y1063-N1108 PolarHBondContact OH-ND2 2.86Å; Y1063-N1108 PolarHBondContact OH-OD1 3.32Å
1064	C	74.9	Confident	77.2	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.054	28%	0.278	C	S	.	.			trans	-71.4	151	171.8	-65	0	0	0	0	112.4	K1068 T1070 C1077 Y1112	C1064-K1068 HydrophobicContact CB-CB 4.16Å; C1064-T1070 PolarHBondContact SG-OG1 2.89Å; C1064-C1077 WeakPolarHBondContact CA-SG 3.25Å; C1064-C1077 HydrophobicContact CB-CB 3.74Å; C1064-C1077 WeakPolarHBondContact CB-SG 3.29Å; C1064-C1077 WeakPolarHBondContact SG-CA 3.37Å; C1064-C1077 WeakPolarHBondContact SG-CB 3.21Å; C1064-C1077 CovalentContact SG-SG 2.04Å; C1064-C1077 PolarHBondContact SG-SG 3.24Å; C1064-Y1112 HydrophobicContact CB-CE1 4.45Å
1065	P	68.7	Low	77	Confident	20 Å²	20	54.2 Å²	54.2	13%	0.13	30%	0.297	C	S	.	.			trans	-57	154.2	171.5	-24.7	33.9	0	0	0	112.9	D1056 N1067 K1068	D1056-P1065 WeakPolarHBondContact OD2-CG 3.3Å; P1065-N1067 VanDerWaalsContact C-N 3.28Å; P1065-N1067 PolarHBondContact O-N 3.15Å; P1065-N1067 VanDerWaalsContact O-N 3.09Å; P1065-K1068 HydrophobicContact CG-CD 4.4Å; P1065-K1068 WeakPolarHBondContact O-CA 3.44Å; P1065-K1068 WeakPolarHBondContact O-CB 3.5Å; P1065-K1068 PolarHBondContact O-N 3.19Å
1066	P	62.5	Low	77	Confident	46 Å²	46	56 Å²	56	30%	0.299	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.9	-172.2	-31.1	38	0	0	0	117	K1068 K1111 Y1113	P1066-K1068 PolarHBondContact O-N 3.39Å; P1066-K1111 VanDerWaalsContact CA-O 3.22Å; P1066-K1111 WeakPolarHBondContact CA-O 3.15Å; P1066-K1111 VanDerWaalsContact CB-O 3.24Å; P1066-K1111 WeakPolarHBondContact CB-O 3.34Å; P1066-Y1113 HydrophobicContact CB-CD2 4.16Å; P1066-Y1113 HydrophobicContact CB-CE1 4.4Å; P1066-Y1113 HydrophobicContact CB-CE2 3.44Å; P1066-Y1113 VanDerWaalsContact CB-CE2 3.44Å; P1066-Y1113 WeakPolarHBondContact O-CD2 3.37Å; P1066-Y1113 PolarHBondContact O-N 2.97Å; P1066-Y1113 VanDerWaalsContact O-N 3.16Å
1067	N	68	Low	77	Confident	65 Å²	65	56.6 Å²	56.6	35%	0.348	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	6	176.5	-64.3	73	0	0	0	113.6	P1065 C1080	P1065-N1067 VanDerWaalsContact C-N 3.28Å; P1065-N1067 PolarHBondContact O-N 3.15Å; P1065-N1067 VanDerWaalsContact O-N 3.09Å; N1067-C1080 PolarHBondContact O-N 2.94Å; N1067-C1080 PolarHBondContact O-SG 3.08Å
1068	K	76.9	Confident	77.1	Confident	20 Å²	20	58.8 Å²	58.8	9%	0.087	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.5	-178	-67.1	-170.6	170.8	-169.9	0	112.1	D1056 C1064 P1065 P1066 C1077 M1078 E1079	D1056-K1068 IonicContact OD1-NZ 2.63Å; D1056-K1068 PolarHBondContact OD1-NZ 3.39Å; C1064-K1068 HydrophobicContact CB-CB 4.16Å; P1065-K1068 HydrophobicContact CG-CD 4.4Å; P1065-K1068 WeakPolarHBondContact O-CA 3.44Å; P1065-K1068 WeakPolarHBondContact O-CB 3.5Å; P1065-K1068 PolarHBondContact O-N 3.19Å; P1066-K1068 PolarHBondContact O-N 3.39Å; K1068-C1077 HydrophobicContact CB-CB 4.23Å; K1068-C1077 HydrophobicContact CD-CB 3.67Å; K1068-C1077 PolarHBondContact NZ-O 2.99Å; K1068-M1078 CarbonylContact C-O 3.28Å; K1068-M1078 WeakPolarHBondContact CA-O 3.39Å; K1068-M1078 WeakPolarHBondContact CB-O 3.34Å; K1068-E1079 WeakPolarHBondContact CE-OE1 2.93Å; K1068-E1079 IonicContact NZ-OE1 2.66Å
1069	Y	76.2	Confident	77	Confident	25 Å²	25	61 Å²	61	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	160.6	167.1	68.9	-80.4	0	0	0	111	C1077 M1078 E1079 C1114	Y1069-C1077 CarbonylContact O-C 3.6Å; Y1069-C1077 WeakPolarHBondContact O-CA 3.29Å; Y1069-M1078 HydrophobicContact CD1-CB 4.12Å; Y1069-M1078 WeakPolarHBondContact CD1-O 3.49Å; Y1069-M1078 HydrophobicContact CE1-CB 3.62Å; Y1069-M1078 HydrophobicContact CE2-CB 4.14Å; Y1069-M1078 HydrophobicContact CE2-SD 4.15Å; Y1069-M1078 PolarHBondContact N-O 2.92Å; Y1069-M1078 PolarHBondContact O-N 3.32Å; Y1069-M1078 WeakPolarHBondContact OH-CE 3.29Å; Y1069-E1079 WeakPolarHBondContact CE1-O 3.4Å; Y1069-C1114 VanDerWaalsContact CD1-SG 3.56Å
1070	T	79.8	Confident	76.4	Confident	48 Å²	48	59.8 Å²	59.8	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.4	171.1	-54.3	0	0	0	0	109.6	V1054 C1064 P1072	V1054-T1070 HydrophobicContact CB-CG2 4.47Å; V1054-T1070 HydrophobicContact CG1-CG2 3.45Å; V1054-T1070 VanDerWaalsContact CG1-CG2 3.45Å; C1064-T1070 PolarHBondContact SG-OG1 2.89Å; T1070-P1072 WeakPolarHBondContact O-CD 3.5Å
1071	D	78.1	Confident	75.7	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.139	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.3	116.9	163.2	173.2	5.1	0	0	0	109.3	I1073 T1074 K1075 K1076 M1078	D1071-I1073 PolarHBondContact O-N 3Å; D1071-I1073 WeakPolarHBondContact OD1-CB 3.49Å; D1071-I1073 PolarHBondContact OD1-N 3.29Å; D1071-T1074 PolarHBondContact OD1-N 3.5Å; D1071-T1074 WeakPolarHBondContact OD2-CB 3.3Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 3.49Å; D1071-T1074 PolarHBondContact OD2-N 2.86Å; D1071-T1074 VanDerWaalsContact OD2-N 3.11Å; D1071-T1074 PolarHBondContact OD2-OG1 2.98Å; D1071-K1075 VanDerWaalsContact O-CA 3.25Å; D1071-K1075 WeakPolarHBondContact O-CA 3.28Å; D1071-K1075 PolarHBondContact O-N 2.89Å; D1071-K1076 PolarHBondContact N-O 2.92Å; D1071-M1078 HydrophobicContact CB-CG 4.34Å; D1071-M1078 HydrophobicContact CB-SD 3.88Å
1072	P	67	Low	75.2	Confident	116 Å²	116	63.6 Å²	63.6	75%	0.753	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	-178.9	28.9	-35.5	0	0	0	113.6	T1070	T1070-P1072 WeakPolarHBondContact O-CD 3.5Å
1073	I	71.6	Confident	74.9	Confident	152 Å²	152	63.2 Å²	63.2	78%	0.779	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-59.8	179.2	-58	175.4	0	0	0	110.2	D1071	D1071-I1073 PolarHBondContact O-N 3Å; D1071-I1073 WeakPolarHBondContact OD1-CB 3.49Å; D1071-I1073 PolarHBondContact OD1-N 3.29Å
1074	T	80.7	Confident	74.7	Confident	73 Å²	73	58.2 Å²	58.2	45%	0.448	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.9	-174.9	71.5	0	0	0	0	114.9	D1071 K1076	D1071-T1074 PolarHBondContact OD1-N 3.5Å; D1071-T1074 WeakPolarHBondContact OD2-CB 3.3Å; D1071-T1074 WeakPolarHBondContact OD2-CG2 3.49Å; D1071-T1074 PolarHBondContact OD2-N 2.86Å; D1071-T1074 VanDerWaalsContact OD2-N 3.11Å; D1071-T1074 PolarHBondContact OD2-OG1 2.98Å; T1074-K1076 PolarHBondContact O-N 3.07Å; T1074-K1076 WeakPolarHBondContact OG1-CB 3.36Å; T1074-K1076 PolarHBondContact OG1-N 2.81Å
1075	K	79.5	Confident	73.9	Confident	107 Å²	107	59.2 Å²	59.2	47%	0.465	33%	0.327	S	S	.	.			trans	57.4	20.9	-171.3	-62.9	-179.1	168.6	-171.1	0	114.5	V1054 Q1055 D1071	V1054-K1075 CarbonylContact C-O 3.56Å; V1054-K1075 VanDerWaalsContact CA-O 3.24Å; V1054-K1075 WeakPolarHBondContact CA-O 3.39Å; V1054-K1075 WeakPolarHBondContact CB-O 3.46Å; Q1055-K1075 PolarHBondContact N-O 3.36Å; D1071-K1075 VanDerWaalsContact O-CA 3.25Å; D1071-K1075 WeakPolarHBondContact O-CA 3.28Å; D1071-K1075 PolarHBondContact O-N 2.89Å
1076	K	84.7	Confident	73.3	Confident	104 Å²	104	59.1 Å²	59.1	45%	0.452	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-94.6	155.1	178.6	-66.4	175.4	-178.5	-179.2	0	111.9	Q1055 D1071 T1074	Q1055-K1076 HydrophobicContact CB-CG 4.31Å; Q1055-K1076 CarbonylContact O-C 3.58Å; Q1055-K1076 WeakPolarHBondContact O-CA 3.29Å; Q1055-K1076 VanDerWaalsContact OE1-CE 3.27Å; D1071-K1076 PolarHBondContact N-O 2.92Å; T1074-K1076 PolarHBondContact O-N 3.07Å; T1074-K1076 WeakPolarHBondContact OG1-CB 3.36Å; T1074-K1076 PolarHBondContact OG1-N 2.81Å
1077	C	84.6	Confident	72.6	Confident	14 Å²	14	60.3 Å²	60.3	10%	0.095	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	114.2	178.7	-60.3	0	0	0	0	112.4	Q1055 D1056 C1064 K1068 Y1069	Q1055-C1077 PolarHBondContact O-N 3.49Å; D1056-C1077 HydrophobicContact CB-CB 4.18Å; C1064-C1077 WeakPolarHBondContact CA-SG 3.25Å; C1064-C1077 HydrophobicContact CB-CB 3.74Å; C1064-C1077 WeakPolarHBondContact CB-SG 3.29Å; C1064-C1077 WeakPolarHBondContact SG-CA 3.37Å; C1064-C1077 WeakPolarHBondContact SG-CB 3.21Å; C1064-C1077 CovalentContact SG-SG 2.04Å; C1064-C1077 PolarHBondContact SG-SG 3.24Å; K1068-C1077 HydrophobicContact CB-CB 4.23Å; K1068-C1077 HydrophobicContact CD-CB 3.67Å; K1068-C1077 PolarHBondContact NZ-O 2.99Å; Y1069-C1077 CarbonylContact O-C 3.6Å; Y1069-C1077 WeakPolarHBondContact O-CA 3.29Å
1078	M	83.9	Confident	71.4	Confident	86 Å²	86	60.2 Å²	60.2	42%	0.424	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	146.9	-178.3	-63.7	-176.3	70.8	0	0	112	K1068 Y1069 D1071	K1068-M1078 CarbonylContact C-O 3.28Å; K1068-M1078 WeakPolarHBondContact CA-O 3.39Å; K1068-M1078 WeakPolarHBondContact CB-O 3.34Å; Y1069-M1078 HydrophobicContact CD1-CB 4.12Å; Y1069-M1078 WeakPolarHBondContact CD1-O 3.49Å; Y1069-M1078 HydrophobicContact CE1-CB 3.62Å; Y1069-M1078 HydrophobicContact CE2-CB 4.14Å; Y1069-M1078 HydrophobicContact CE2-SD 4.15Å; Y1069-M1078 PolarHBondContact N-O 2.92Å; Y1069-M1078 PolarHBondContact O-N 3.32Å; Y1069-M1078 WeakPolarHBondContact OH-CE 3.29Å; D1071-M1078 HydrophobicContact CB-CG 4.34Å; D1071-M1078 HydrophobicContact CB-SD 3.88Å
1079	E	78.6	Confident	69.1	Low	119 Å²	119	65.6 Å²	65.6	56%	0.556	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	146	-179.7	-61.6	-67.8	152.5	0	0	113.3	K1068 Y1069	K1068-E1079 WeakPolarHBondContact CE-OE1 2.93Å; K1068-E1079 IonicContact NZ-OE1 2.66Å; Y1069-E1079 WeakPolarHBondContact CE1-O 3.4Å
1080	C	72.6	Confident	67	Low	28 Å²	28	71.3 Å²	71.3	19%	0.189	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-72	157.4	173.1	-67.2	0	0	0	0	114	N1067 C1084 C1114	N1067-C1080 PolarHBondContact O-N 2.94Å; N1067-C1080 PolarHBondContact O-SG 3.08Å; C1080-C1084 HydrophobicContact CB-CB 4.32Å; C1080-C1114 WeakPolarHBondContact CA-SG 3.43Å; C1080-C1114 HydrophobicContact CB-CB 3.68Å; C1080-C1114 WeakPolarHBondContact CB-SG 3.2Å; C1080-C1114 WeakPolarHBondContact SG-CB 3Å; C1080-C1114 PolarHBondContact SG-N 3.47Å; C1080-C1114 VanDerWaalsContact SG-N 3.43Å; C1080-C1114 CovalentContact SG-SG 2.03Å; C1080-C1114 PolarHBondContact SG-SG 2.61Å
1081	S	72.1	Confident	64.4	Low	26 Å²	26	77.4 Å²	77.4	18%	0.182	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-63.6	149.1	165.9	-176	0	0	0	0	111.2	T1083 C1084 D1119	S1081-T1083 PolarHBondContact O-N 3.34Å; S1081-T1083 PolarHBondContact OG-OG1 2.77Å; S1081-C1084 VanDerWaalsContact O-CB 3.31Å; S1081-C1084 WeakPolarHBondContact O-CB 3.29Å; S1081-C1084 PolarHBondContact O-N 2.87Å; S1081-D1119 PolarHBondContact OG-OD1 3.25Å
1082	S	71.6	Confident	61.9	Low	112 Å²	112	83.3 Å²	83.3	78%	0.783	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-9.7	178.3	57.6	0	0	0	0	114	C1084	S1082-C1084 VanDerWaalsContact C-N 3.34Å
1083	T	68.4	Low	59.9	Low	19 Å²	19	80.1 Å²	80.1	12%	0.117	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-17.8	168	54.6	0	0	0	0	112.7	S1081 T1085 D1119	S1081-T1083 PolarHBondContact O-N 3.34Å; S1081-T1083 PolarHBondContact OG-OG1 2.77Å; T1083-T1085 PolarHBondContact O-N 3.23Å; T1083-T1085 VanDerWaalsContact O-N 3.08Å; T1083-D1119 HydrophobicContact CG2-CB 4.33Å; T1083-D1119 WeakPolarHBondContact CG2-OD1 3.44Å; T1083-D1119 PolarHBondContact OG1-OD1 3.42Å
1084	C	67.4	Low	57.8	Low	9 Å²	9	75 Å²	75	6%	0.061	43%	0.428	C	S	.	.			trans	-86.3	77.3	-177.8	-54.7	0	0	0	0	111.2	C1080 S1081 S1082 C1114 C1126	C1080-C1084 HydrophobicContact CB-CB 4.32Å; S1081-C1084 VanDerWaalsContact O-CB 3.31Å; S1081-C1084 WeakPolarHBondContact O-CB 3.29Å; S1081-C1084 PolarHBondContact O-N 2.87Å; S1082-C1084 VanDerWaalsContact C-N 3.34Å; C1084-C1114 HydrophobicContact CB-CB 4.04Å; C1084-C1126 WeakPolarHBondContact CA-SG 3.36Å; C1084-C1126 HydrophobicContact CB-CB 3.64Å; C1084-C1126 WeakPolarHBondContact CB-SG 3.21Å; C1084-C1126 PolarHBondContact N-SG 2.86Å; C1084-C1126 VanDerWaalsContact N-SG 3.4Å; C1084-C1126 WeakPolarHBondContact SG-CA 3.43Å; C1084-C1126 WeakPolarHBondContact SG-CB 3.45Å; C1084-C1126 CovalentContact SG-SG 2.04Å; C1084-C1126 PolarHBondContact SG-SG 2.93Å
1085	T	59.7	Low	55.4	Low	29 Å²	29	78.4 Å²	78.4	18%	0.178	44%	0.442	C	S	.	.			trans	-61.3	143.2	178.9	39.1	0	0	0	0	112.9	T1083 F1128 K1130	T1083-T1085 PolarHBondContact O-N 3.23Å; T1083-T1085 VanDerWaalsContact O-N 3.08Å; T1085-F1128 PolarHBondContact N-O 3.23Å; T1085-F1128 WeakPolarHBondContact O-CD1 3.15Å; T1085-F1128 WeakPolarHBondContact OG1-CD1 3.12Å; T1085-F1128 PolarHBondContact OG1-O 2.03Å; T1085-K1130 HydrophobicContact CG2-CB 4.39Å; T1085-K1130 PolarHBondContact OG1-N 3.35Å
1086	P	54.9	Low	52.9	Low	18 Å²	18	78 Å²	78	12%	0.117	44%	0.438	C	S	.	.			trans	-77.1	156.1	166.7	32.9	-34.3	0	0	0	111.5	G1088 D1089 Y1113	P1086-G1088 VanDerWaalsContact C-N 3.27Å; P1086-G1088 PolarHBondContact O-N 3.11Å; P1086-D1089 HydrophobicContact CG-CB 3.84Å; P1086-D1089 VanDerWaalsContact CG-CG 3.41Å; P1086-D1089 WeakPolarHBondContact CG-OD2 3.47Å; P1086-Y1113 HydrophobicContact CB-CD1 3.79Å; P1086-Y1113 HydrophobicContact CB-CD2 3.72Å; P1086-Y1113 HydrophobicContact CB-CE1 3.67Å; P1086-Y1113 HydrophobicContact CB-CE2 3.58Å; P1086-Y1113 HydrophobicContact CB-CG 3.82Å
1087	P	48.7	Very low	50.2	Low	70 Å²	70	79.1 Å²	79.1	46%	0.455	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	84	164.1	-3.9	21.7	0	0	0	108.9	Y1113 Y1224	P1087-Y1113 VanDerWaalsContact CD-CE1 3.46Å; P1087-Y1224 WeakPolarHBondContact CG-OH 3.02Å
1088	G	42.5	Very low	47.5	Very low	64 Å²	64	83.4 Å²	83.4	66%	0.66	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.2	-21.8	177.6	0	0	0	0	0	117.2	P1086 I1090	P1086-G1088 VanDerWaalsContact C-N 3.27Å; P1086-G1088 PolarHBondContact O-N 3.11Å; G1088-I1090 VanDerWaalsContact C-N 3.26Å; G1088-I1090 PolarHBondContact O-N 3.29Å
1089	D	29.2	Very low	44.9	Very low	133 Å²	133	85.2 Å²	85.2	71%	0.711	48%	0.482	S	S	*	.			trans	-81.7	65.3	-176.7	-77.2	-14.5	0	0	0	112.5	P1086	P1086-D1089 HydrophobicContact CG-CB 3.84Å; P1086-D1089 VanDerWaalsContact CG-CG 3.41Å; P1086-D1089 WeakPolarHBondContact CG-OD2 3.47Å
1090	I	31.2	Very low	42.8	Very low	144 Å²	144	86 Å²	86	74%	0.738	49%	0.49	S	S	*	.	S	Bend	trans	-135	133.8	161.6	-58.4	-178.1	0	0	0	109.1	G1088 N1092	G1088-I1090 VanDerWaalsContact C-N 3.26Å; G1088-I1090 PolarHBondContact O-N 3.29Å; I1090-N1092 PolarHBondContact O-N 2.87Å
1091	E	24.6	Very low	40.9	Very low	176 Å²	176	89.4 Å²	89.4	82%	0.822	51%	0.505	S	S	*	.	S	Bend	trans	-68.9	120.1	-179.6	-58.2	173.3	133.9	0	0	111.3
1092	N	26	Very low	39	Very low	151 Å²	151	92.8 Å²	92.8	81%	0.807	52%	0.521	S	S	*	.	S	Bend	trans	73.8	105.7	177.5	-39.8	-89.2	0	0	0	116.1	I1090	I1090-N1092 PolarHBondContact O-N 2.87Å
1093	G	26.4	Very low	37	Very low	48 Å²	48	94.9 Å²	94.9	50%	0.495	52%	0.523	S	S	.	.			trans	142.1	106	161.8	0	0	0	0	0	113.7
1094	N	27.3	Very low	35.2	Very low	44 Å²	44	101.8 Å²	101.8	24%	0.235	55%	0.554	C	S	.	*			trans	-94.9	152.6	-171.3	-45.6	-19.8	0	0	0	112.1	S592 E593 D620	S592-N1094 PolarHBondContact OG-N 2.77Å; S592-N1094 PolarHBondContact OG-O 3.4Å; E593-N1094 HydrophobicContact CG-CB 4.27Å; E593-N1094 WeakPolarHBondContact OE1-CB 3.36Å; D620-N1094 HydrophobicContact CB-CB 3.65Å; D620-N1094 WeakPolarHBondContact CB-ND2 3.48Å; D620-N1094 VanDerWaalsContact CG-ND2 3.26Å; D620-N1094 PolarHBondContact N-ND2 3.38Å; D620-N1094 VanDerWaalsContact N-ND2 3.19Å; D620-N1094 PolarHBondContact OD1-ND2 3.35Å
1095	I	29.1	Very low	33.5	Very low	145 Å²	145	111.6 Å²	111.6	74%	0.744	60%	0.596	S	S	*	*			trans	-125.2	158.9	176.3	-68.2	-179	0	0	0	110.2	R611	R611-I1095 PolarHBondContact NH1-O 2.94Å; R611-I1095 PolarHBondContact NH2-O 3.05Å; R611-I1095 VanDerWaalsContact NH2-O 3.14Å
1096	Y	26.4	Very low	32.3	Very low	98 Å²	98	114 Å²	114	38%	0.384	61%	0.607	S	S	.	*			trans	-96.4	106	-171.6	-75.6	-116.8	0	0	0	112.1	E593 L610 R611	E593-Y1096 WeakPolarHBondContact OE1-CE2 3.26Å; E593-Y1096 PolarHBondContact OE2-OH 3.06Å; L610-Y1096 WeakPolarHBondContact CB-OH 3.03Å; L610-Y1096 HydrophobicContact CD2-CE1 4.27Å; L610-Y1096 HydrophobicContact CD2-CE2 3.7Å; L610-Y1096 VanDerWaalsContact CD2-CZ 3.46Å; L610-Y1096 WeakPolarHBondContact CD2-OH 3.39Å; L610-Y1096 HydrophobicContact CG-CE1 4.13Å; L610-Y1096 HydrophobicContact CG-CE2 4.31Å; L610-Y1096 WeakPolarHBondContact CG-OH 3.43Å; R611-Y1096 HydrophobicContact CG-CD1 4.36Å; R611-Y1096 HydrophobicContact CG-CE1 3.46Å; R611-Y1096 VanDerWaalsContact CG-CE1 3.46Å; R611-Y1096 VanDerWaalsContact CG-OH 3.26Å; R611-Y1096 WeakPolarHBondContact CG-OH 3.2Å; R611-Y1096 VanDerWaalsContact CZ-CD2 3.4Å; R611-Y1096 VanDerWaalsContact CZ-CZ 3.43Å; R611-Y1096 PolarHBondContact N-OH 3.36Å; R611-Y1096 VanDerWaalsContact NE-CE1 3.28Å; R611-Y1096 VanDerWaalsContact NE-CE2 3.35Å; R611-Y1096 PolarHBondContact NE-OH 3.44Å
1097	I	28	Very low	31.3	Very low	129 Å²	129	119.4 Å²	119.4	66%	0.662	63%	0.631	S	S	*	*			trans	-86.4	117.7	160.5	-59.4	-179.9	0	0	0	107.8	N1099	I1097-N1099 PolarHBondContact O-N 2.96Å
1098	N	29.1	Very low	30.7	Very low	104 Å²	104	119.8 Å²	119.8	56%	0.556	63%	0.629	S	S	*	*			trans	-84.1	110.1	-176.4	-171.3	-27.3	0	0	0	110.7	N1100 L1101	N1098-N1100 PolarHBondContact O-N 2.77Å; N1098-N1100 PolarHBondContact OD1-N 2.92Å; N1098-N1100 PolarHBondContact OD1-ND2 2.81Å; N1098-L1101 PolarHBondContact O-N 3.05Å; N1098-L1101 VanDerWaalsContact O-N 3.12Å
1099	N	30.1	Very low	30.6	Very low	124 Å²	124	125.4 Å²	125.4	66%	0.663	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-57.7	-11.4	-175.8	-76.2	-17.6	0	0	0	115.3	I1097 L1101	I1097-N1099 PolarHBondContact O-N 2.96Å; N1099-L1101 VanDerWaalsContact C-N 3.29Å; N1099-L1101 PolarHBondContact O-N 3.08Å
1100	N	33.3	Very low	31.3	Very low	135 Å²	135	123.2 Å²	123.2	72%	0.722	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-74.9	-10.5	175.7	-66.1	-79.3	0	0	0	114.5	N1098	N1098-N1100 PolarHBondContact O-N 2.77Å; N1098-N1100 PolarHBondContact OD1-N 2.92Å; N1098-N1100 PolarHBondContact OD1-ND2 2.81Å
1101	L	33.5	Very low	32.1	Very low	99 Å²	99	122.3 Å²	122.3	52%	0.518	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-90.9	-11.4	179.1	-123.1	79.4	0	0	0	114.9	N1098 N1099 N1103 Q1222	N1098-L1101 PolarHBondContact O-N 3.05Å; N1098-L1101 VanDerWaalsContact O-N 3.12Å; N1099-L1101 VanDerWaalsContact C-N 3.29Å; N1099-L1101 PolarHBondContact O-N 3.08Å; L1101-N1103 PolarHBondContact O-N 3.13Å; L1101-Q1222 VanDerWaalsContact CD2-OE1 3.31Å
1102	L	30.7	Very low	33.6	Very low	98 Å²	98	116.5 Å²	116.5	51%	0.513	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.1	-30.9	-167.9	-124.2	71.8	0	0	0	114.3	Q1104	L1102-Q1104 PolarHBondContact O-N 3.23Å
1103	N	31.6	Very low	35.4	Very low	155 Å²	155	112 Å²	112	83%	0.829	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	10.9	-166.2	-70.3	-14.7	0	0	0	115.7	L1101	L1101-N1103 PolarHBondContact O-N 3.13Å
1104	Q	29.3	Very low	37.3	Very low	164 Å²	164	109.8 Å²	109.8	77%	0.766	53%	0.533	S	S	*	.	S	Bend	trans	-139.7	90.7	176.5	-65.5	-167.7	5.8	0	0	114	L1102 I1106	L1102-Q1104 PolarHBondContact O-N 3.23Å; Q1104-I1106 WeakPolarHBondContact O-CG1 3.37Å; Q1104-I1106 PolarHBondContact O-N 3.39Å
1105	K	31.5	Very low	39.2	Very low	216 Å²	216	110.4 Å²	110.4	94%	0.939	54%	0.539	S	S	*	.	S	Bend	trans	71.1	18.1	154.7	-67.6	-177.4	171.4	175.7	0	120.2
1106	I	34.9	Very low	41.2	Very low	80 Å²	80	103.8 Å²	103.8	41%	0.41	51%	0.507	S	S	.	.			trans	-119.6	15.7	-179.2	-26.9	-175.4	0	0	0	115.4	Q1104 N1108 L1110	Q1104-I1106 WeakPolarHBondContact O-CG1 3.37Å; Q1104-I1106 PolarHBondContact O-N 3.39Å; I1106-N1108 VanDerWaalsContact C-N 3.3Å; I1106-N1108 PolarHBondContact O-N 3.44Å; I1106-L1110 HydrophobicContact CG2-CD1 3.93Å
1107	E	34.1	Very low	43.3	Very low	131 Å²	131	103.3 Å²	103.3	61%	0.612	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.8	-177.9	-66.2	-165.2	97.2	0	0	115.1
1108	N	36.3	Very low	45.2	Very low	78 Å²	78	97.8 Å²	97.8	42%	0.417	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5.6	-168.6	-65.2	9.7	0	0	0	115.3	Y1063 I1106	Y1063-N1108 HydrophobicContact CE1-CB 4.45Å; Y1063-N1108 VanDerWaalsContact CE1-ND2 3.26Å; Y1063-N1108 WeakPolarHBondContact CE1-ND2 3.33Å; Y1063-N1108 VanDerWaalsContact CZ-ND2 3.31Å; Y1063-N1108 VanDerWaalsContact CZ-OD1 3.3Å; Y1063-N1108 PolarHBondContact OH-ND2 2.86Å; Y1063-N1108 PolarHBondContact OH-OD1 3.32Å; I1106-N1108 VanDerWaalsContact C-N 3.3Å; I1106-N1108 PolarHBondContact O-N 3.44Å
1109	K	40.5	Very low	47.2	Very low	182 Å²	182	94.9 Å²	94.9	79%	0.791	48%	0.477	S	S	*	.	S	Bend	trans	-130.5	7.2	-172.7	-93.4	-157.9	170.9	-160.1	0	116.4
1110	L	43.1	Very low	49.1	Very low	87 Å²	87	93.8 Å²	93.8	46%	0.455	46%	0.463	S	S	.	.	S	Bend	trans	-129.2	3.3	-175.8	-91.8	172	0	0	0	114.8	I1106 Q1220 L1223	I1106-L1110 HydrophobicContact CG2-CD1 3.93Å; L1110-Q1220 HydrophobicContact CD2-CG 4.46Å; L1110-L1223 HydrophobicContact CD1-CD1 4.16Å; L1110-L1223 HydrophobicContact CD2-CD1 3.51Å
1111	K	48.5	Very low	50.6	Low	125 Å²	125	88.6 Å²	88.6	54%	0.543	44%	0.437	S	S	.	.	S	Bend	trans	-105.3	-1.7	-165.2	-123	172.7	-172.6	168.8	0	115.6	P1066	P1066-K1111 VanDerWaalsContact CA-O 3.22Å; P1066-K1111 WeakPolarHBondContact CA-O 3.15Å; P1066-K1111 VanDerWaalsContact CB-O 3.24Å; P1066-K1111 WeakPolarHBondContact CB-O 3.34Å
1112	Y	56.3	Low	51.9	Low	54 Å²	54	84.4 Å²	84.4	21%	0.212	42%	0.418	C	S	.	.			trans	-110.6	126.8	-176.2	-47.1	-74.5	0	0	0	110.3	C1064 C1114 S1127	C1064-Y1112 HydrophobicContact CB-CE1 4.45Å; Y1112-C1114 VanDerWaalsContact C-N 3.3Å; Y1112-C1114 VanDerWaalsContact CB-O 3.28Å; Y1112-C1114 WeakPolarHBondContact CB-O 3.4Å; Y1112-S1127 WeakPolarHBondContact O-CB 3.42Å; Y1112-S1127 PolarHBondContact O-OG 3.2Å
1113	Y	62.9	Low	53.3	Low	57 Å²	57	87.3 Å²	87.3	22%	0.224	43%	0.434	C	S	.	.	S	Bend	trans	-80.2	-16.7	178.8	-48.4	-43.6	0	0	0	112.7	P1066 P1086 P1087 S1127	P1066-Y1113 HydrophobicContact CB-CD2 4.16Å; P1066-Y1113 HydrophobicContact CB-CE1 4.4Å; P1066-Y1113 HydrophobicContact CB-CE2 3.44Å; P1066-Y1113 VanDerWaalsContact CB-CE2 3.44Å; P1066-Y1113 WeakPolarHBondContact O-CD2 3.37Å; P1066-Y1113 PolarHBondContact O-N 2.97Å; P1066-Y1113 VanDerWaalsContact O-N 3.16Å; P1086-Y1113 HydrophobicContact CB-CD1 3.79Å; P1086-Y1113 HydrophobicContact CB-CD2 3.72Å; P1086-Y1113 HydrophobicContact CB-CE1 3.67Å; P1086-Y1113 HydrophobicContact CB-CE2 3.58Å; P1086-Y1113 HydrophobicContact CB-CG 3.82Å; P1087-Y1113 VanDerWaalsContact CD-CE1 3.46Å; Y1113-S1127 PolarHBondContact O-N 2.93Å; Y1113-S1127 PolarHBondContact O-OG 2.76Å
1114	C	67.8	Low	54.9	Low	0 Å²	0	82.1 Å²	82.1	0%	0	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-135.7	160.5	167.2	68.2	0	0	0	0	110.8	Y1069 C1080 C1084 Y1112 G1116 G1125	Y1069-C1114 VanDerWaalsContact CD1-SG 3.56Å; C1080-C1114 WeakPolarHBondContact CA-SG 3.43Å; C1080-C1114 HydrophobicContact CB-CB 3.68Å; C1080-C1114 WeakPolarHBondContact CB-SG 3.2Å; C1080-C1114 WeakPolarHBondContact SG-CB 3Å; C1080-C1114 PolarHBondContact SG-N 3.47Å; C1080-C1114 VanDerWaalsContact SG-N 3.43Å; C1080-C1114 CovalentContact SG-SG 2.03Å; C1080-C1114 PolarHBondContact SG-SG 2.61Å; C1084-C1114 HydrophobicContact CB-CB 4.04Å; Y1112-C1114 VanDerWaalsContact C-N 3.3Å; Y1112-C1114 VanDerWaalsContact CB-O 3.28Å; Y1112-C1114 WeakPolarHBondContact CB-O 3.4Å; C1114-G1116 WeakPolarHBondContact CB-O 3.34Å; C1114-G1125 CarbonylContact C-O 3.21Å; C1114-G1125 VanDerWaalsContact CA-O 3.22Å; C1114-G1125 WeakPolarHBondContact CA-O 3.41Å; C1114-G1125 WeakPolarHBondContact CB-O 3.44Å
1115	T	66.9	Low	57	Low	57 Å²	57	74.3 Å²	74.3	35%	0.35	38%	0.38	S	S	.	.	S	Bend	trans	-117.7	2.2	172.8	63	0	0	0	0	112	G1122 N1123 G1124 G1125	T1115-G1122 PolarHBondContact OG1-O 3.25Å; T1115-N1123 VanDerWaalsContact OG1-CA 3.29Å; T1115-N1123 WeakPolarHBondContact OG1-CA 3.41Å; T1115-G1124 PolarHBondContact OG1-N 2.75Å; T1115-G1125 PolarHBondContact N-O 3.11Å; T1115-G1125 PolarHBondContact OG1-O 3.31Å
1116	G	70.3	Confident	58.8	Low	7 Å²	7	64 Å²	64	7%	0.072	34%	0.336	C	S	.	.	S	Bend	trans	-176.2	-171.2	177.2	0	0	0	0	0	110.8	C1114 G1124	C1114-G1116 WeakPolarHBondContact CB-O 3.34Å; G1116-G1124 CarbonylContact C-O 3.58Å; G1116-G1124 WeakPolarHBondContact CA-O 3.45Å
1117	S	70.1	Confident	60.1	Low	87 Å²	87	62.3 Å²	62.3	61%	0.608	33%	0.331	S	S	*	.	S	Bend	trans	-84.1	-7.7	-174.8	48.4	0	0	0	0	115.8	G1124	S1117-G1124 PolarHBondContact N-O 2.91Å
1118	G	68.8	Low	61.5	Low	13 Å²	13	58.7 Å²	58.7	13%	0.134	31%	0.313	C	S	.	.			trans	-80.5	150.8	-170.7	0	0	0	0	0	115.9	W1120 G1124 G1125	G1118-W1120 PolarHBondContact O-N 3.22Å; G1118-W1120 VanDerWaalsContact O-N 3.13Å; G1118-G1124 PolarHBondContact N-O 2.75Å; G1118-G1124 VanDerWaalsContact N-O 3.12Å; G1118-G1125 WeakPolarHBondContact O-CA 3.42Å
1119	D	71	Confident	62.9	Low	44 Å²	44	55.4 Å²	55.4	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-76.5	17.8	170.2	-63.4	-30.6	0	0	0	113.6	S1081 T1083 K1146 C1147	S1081-D1119 PolarHBondContact OG-OD1 3.25Å; T1083-D1119 HydrophobicContact CG2-CB 4.33Å; T1083-D1119 WeakPolarHBondContact CG2-OD1 3.44Å; T1083-D1119 PolarHBondContact OG1-OD1 3.42Å; D1119-K1146 HydrophobicContact CB-CD 4.46Å; D1119-K1146 HydrophobicContact CB-CG 4.36Å; D1119-K1146 WeakPolarHBondContact OD2-CE 3.49Å; D1119-K1146 IonicContact OD2-NZ 2.72Å; D1119-K1146 PolarHBondContact OD2-NZ 3.06Å; D1119-C1147 WeakPolarHBondContact O-CB 3.28Å; D1119-C1147 PolarHBondContact O-N 3Å
1120	W	70.4	Confident	64.1	Low	100 Å²	100	51.6 Å²	51.6	38%	0.379	28%	0.28	S	S	.	.	S	Bend	trans	-109.5	141.3	-172.1	-38.4	104.7	0	0	0	109.1	G1118 G1125 C1126 H1144 K1146	G1118-W1120 PolarHBondContact O-N 3.22Å; G1118-W1120 VanDerWaalsContact O-N 3.13Å; W1120-G1125 CarbonylContact O-C 3.38Å; W1120-G1125 VanDerWaalsContact O-CA 3.24Å; W1120-G1125 WeakPolarHBondContact O-CA 3.47Å; W1120-C1126 PolarHBondContact O-N 2.95Å; W1120-H1144 HydrophobicContact CE3-CB 4.01Å; W1120-H1144 HydrophobicContact CZ3-CB 3.83Å; W1120-K1146 HydrophobicContact CE3-CB 4Å; W1120-K1146 HydrophobicContact CE3-CG 4.33Å; W1120-K1146 HydrophobicContact CH2-CD 4.32Å; W1120-K1146 HydrophobicContact CZ3-CB 3.79Å; W1120-K1146 HydrophobicContact CZ3-CD 4.07Å; W1120-K1146 HydrophobicContact CZ3-CG 4.17Å
1121	P	63.3	Low	65.4	Low	26 Å²	26	48 Å²	48	17%	0.169	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-83.3	133	-175	32.3	-32.3	0	0	0	112.1	C1126 T1132 L1145 W1214	P1121-C1126 CarbonylContact C-O 3.54Å; P1121-C1126 WeakPolarHBondContact CA-O 3.47Å; P1121-T1132 HydrophobicContact CG-CG2 4.15Å; P1121-L1145 WeakPolarHBondContact CD-O 3.41Å; P1121-L1145 HydrophobicContact CG-CB 4.03Å; P1121-W1214 VanDerWaalsContact CB-NE1 3.25Å; P1121-W1214 HydrophobicContact CG-CG 4.15Å
1122	G	61.2	Low	66.4	Low	12 Å²	12	42.1 Å²	42.1	12%	0.124	24%	0.235	C	C	.	.	S	Bend	trans	112.8	-158.5	-178.6	0	0	0	0	0	113.4	T1115 G1124 G1125 C1126	T1115-G1122 PolarHBondContact OG1-O 3.25Å; G1122-G1124 PolarHBondContact O-N 2.61Å; G1122-G1125 CarbonylContact O-C 3.44Å; G1122-G1125 PolarHBondContact O-N 2.96Å; G1122-C1126 PolarHBondContact N-O 3.15Å
1123	N	61.2	Low	67.1	Low	159 Å²	159	40.2 Å²	40.2	85%	0.85	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	126.2	-179.7	-75.7	-14	0	0	0	111.3	T1115	T1115-N1123 VanDerWaalsContact OG1-CA 3.29Å; T1115-N1123 WeakPolarHBondContact OG1-CA 3.41Å
1124	G	65.5	Low	67.2	Low	45 Å²	45	38.6 Å²	38.6	46%	0.464	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-5.6	-177.6	0	0	0	0	0	114.8	T1115 G1116 S1117 G1118 G1122	T1115-G1124 PolarHBondContact OG1-N 2.75Å; G1116-G1124 CarbonylContact C-O 3.58Å; G1116-G1124 WeakPolarHBondContact CA-O 3.45Å; S1117-G1124 PolarHBondContact N-O 2.91Å; G1118-G1124 PolarHBondContact N-O 2.75Å; G1118-G1124 VanDerWaalsContact N-O 3.12Å; G1122-G1124 PolarHBondContact O-N 2.61Å
1125	G	72.4	Confident	67	Low	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-148.2	-134.6	176.5	0	0	0	0	0	112.1	C1114 T1115 G1118 W1120 G1122	C1114-G1125 CarbonylContact C-O 3.21Å; C1114-G1125 VanDerWaalsContact CA-O 3.22Å; C1114-G1125 WeakPolarHBondContact CA-O 3.41Å; C1114-G1125 WeakPolarHBondContact CB-O 3.44Å; T1115-G1125 PolarHBondContact N-O 3.11Å; T1115-G1125 PolarHBondContact OG1-O 3.31Å; G1118-G1125 WeakPolarHBondContact O-CA 3.42Å; W1120-G1125 CarbonylContact O-C 3.38Å; W1120-G1125 VanDerWaalsContact O-CA 3.24Å; W1120-G1125 WeakPolarHBondContact O-CA 3.47Å; G1122-G1125 CarbonylContact O-C 3.44Å; G1122-G1125 PolarHBondContact O-N 2.96Å
1126	C	70.3	Confident	66.4	Low	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-80.8	137.1	-170.4	-55	0	0	0	0	113.7	C1084 W1120 P1121 G1122 C1129	C1084-C1126 WeakPolarHBondContact CA-SG 3.36Å; C1084-C1126 HydrophobicContact CB-CB 3.64Å; C1084-C1126 WeakPolarHBondContact CB-SG 3.21Å; C1084-C1126 PolarHBondContact N-SG 2.86Å; C1084-C1126 VanDerWaalsContact N-SG 3.4Å; C1084-C1126 WeakPolarHBondContact SG-CA 3.43Å; C1084-C1126 WeakPolarHBondContact SG-CB 3.45Å; C1084-C1126 CovalentContact SG-SG 2.04Å; C1084-C1126 PolarHBondContact SG-SG 2.93Å; W1120-C1126 PolarHBondContact O-N 2.95Å; P1121-C1126 CarbonylContact C-O 3.54Å; P1121-C1126 WeakPolarHBondContact CA-O 3.47Å; G1122-C1126 PolarHBondContact N-O 3.15Å; C1126-C1129 WeakPolarHBondContact CB-SG 2.98Å
1127	S	61.8	Low	65.4	Low	44 Å²	44	48.8 Å²	48.8	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-82.5	-20.5	174.4	-47.1	0	0	0	0	113.1	Y1112 Y1113	Y1112-S1127 WeakPolarHBondContact O-CB 3.42Å; Y1112-S1127 PolarHBondContact O-OG 3.2Å; Y1113-S1127 PolarHBondContact O-N 2.93Å; Y1113-S1127 PolarHBondContact O-OG 2.76Å
1128	F	63.1	Low	64.2	Low	55 Å²	55	50.3 Å²	50.3	24%	0.241	27%	0.273	C	S	.	.	S	Bend	trans	-150	132.4	178.2	178.1	-98.8	0	0	0	109.2	T1085 Y1224	T1085-F1128 PolarHBondContact N-O 3.23Å; T1085-F1128 WeakPolarHBondContact O-CD1 3.15Å; T1085-F1128 WeakPolarHBondContact OG1-CD1 3.12Å; T1085-F1128 PolarHBondContact OG1-O 2.03Å; F1128-Y1224 AromaticContact CD2-CE1 3.81Å; F1128-Y1224 HydrophobicContact CD2-CE1 3.81Å; F1128-Y1224 HydrophobicContact CD2-CE2 4.38Å; F1128-Y1224 AromaticContact CD2-CZ 3.66Å; F1128-Y1224 HydrophobicContact CE2-CD1 4.05Å; F1128-Y1224 AromaticContact CE2-CE1 3.43Å; F1128-Y1224 HydrophobicContact CE2-CE1 3.43Å; F1128-Y1224 VanDerWaalsContact CE2-CE1 3.43Å; F1128-Y1224 AromaticContact CE2-CZ 3.81Å; F1128-Y1224 HydrophobicContact CZ-CE1 4.34Å
1129	C	66.6	Low	62.9	Low	10 Å²	10	59.1 Å²	59.1	7%	0.068	31%	0.308	C	S	.	.			trans	-131	132.6	-177.6	-65.9	0	0	0	0	110.8	C1126 Q1131 T1132 C1147	C1126-C1129 WeakPolarHBondContact CB-SG 2.98Å; C1129-Q1131 PolarHBondContact O-N 3.16Å; C1129-T1132 HydrophobicContact CB-CG2 4.24Å; C1129-C1147 HydrophobicContact CB-CB 3.59Å; C1129-C1147 WeakPolarHBondContact CB-SG 3.33Å; C1129-C1147 WeakPolarHBondContact SG-CB 3.39Å; C1129-C1147 CovalentContact SG-SG 2.02Å; C1129-C1147 PolarHBondContact SG-SG 2.72Å
1130	K	64.4	Low	61.4	Low	101 Å²	101	60 Å²	60	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-56.6	-48.3	-179.1	-170.3	-173.3	177.7	-164.5	0	112.7	T1085 N1149	T1085-K1130 HydrophobicContact CG2-CB 4.39Å; T1085-K1130 PolarHBondContact OG1-N 3.35Å; K1130-N1149 PolarHBondContact NZ-O 3.28Å
1131	Q	70.7	Confident	59.8	Low	13 Å²	13	60.3 Å²	60.3	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	149.3	172.4	-57.4	-171.8	-26.1	0	0	108.8	C1129 V1148 S1150 C1151 Q1228	C1129-Q1131 PolarHBondContact O-N 3.16Å; Q1131-V1148 HydrophobicContact CB-CG2 4.09Å; Q1131-V1148 PolarHBondContact N-O 3.32Å; Q1131-V1148 PolarHBondContact O-N 2.8Å; Q1131-S1150 VanDerWaalsContact OE1-CA 3.31Å; Q1131-C1151 VanDerWaalsContact OE1-N 3.17Å; Q1131-Q1228 HydrophobicContact CG-CB 4.01Å
1132	T	69.9	Low	58.9	Low	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.4	169.1	49.8	0	0	0	0	110.7	P1121 C1129 K1146 W1214 Q1228 I1229 C1230	P1121-T1132 HydrophobicContact CG-CG2 4.15Å; C1129-T1132 HydrophobicContact CB-CG2 4.24Å; T1132-K1146 WeakPolarHBondContact CA-O 3.04Å; T1132-W1214 HydrophobicContact CG2-CD2 4.32Å; T1132-W1214 HydrophobicContact CG2-CH2 3.97Å; T1132-W1214 HydrophobicContact CG2-CZ2 3.48Å; T1132-W1214 VanDerWaalsContact CG2-CZ2 3.48Å; T1132-W1214 VanDerWaalsContact OG1-CH2 3.25Å; T1132-W1214 WeakPolarHBondContact OG1-CH2 3.34Å; T1132-W1214 WeakPolarHBondContact OG1-CZ3 3.36Å; T1132-Q1228 PolarHBondContact N-O 3.2Å; T1132-I1229 CarbonylContact O-C 3.5Å; T1132-I1229 WeakPolarHBondContact O-CA 3.49Å; T1132-C1230 PolarHBondContact O-N 2.94Å
1133	V	70.3	Confident	58.6	Low	14 Å²	14	63.5 Å²	63.5	9%	0.085	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.6	168.1	68.3	0	0	0	0	109.5	Y1135 L1145 K1146 V1148 P1152 C1230	V1133-Y1135 PolarHBondContact O-N 2.83Å; V1133-Y1135 VanDerWaalsContact O-N 3.16Å; V1133-L1145 WeakPolarHBondContact O-CA 3.14Å; V1133-K1146 HydrophobicContact CG1-CB 4.12Å; V1133-K1146 PolarHBondContact N-O 3.21Å; V1133-K1146 PolarHBondContact O-N 3.04Å; V1133-V1148 HydrophobicContact CB-CG1 4.41Å; V1133-V1148 HydrophobicContact CB-CG2 4.05Å; V1133-V1148 HydrophobicContact CG1-CG1 3.62Å; V1133-V1148 HydrophobicContact CG1-CG2 4.15Å; V1133-P1152 HydrophobicContact CG2-CG 3.8Å; V1133-C1230 HydrophobicContact CB-CB 4.1Å; V1133-C1230 HydrophobicContact CG2-CB 4Å
1134	L	65.3	Low	58.6	Low	24 Å²	24	59.6 Å²	59.6	13%	0.126	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	104.3	165.4	-171	73.9	0	0	0	109.3	H1143 L1145 I1207	L1134-H1143 HydrophobicContact CD1-CB 4.31Å; L1134-L1145 HydrophobicContact CD1-CD2 4.34Å; L1134-I1207 HydrophobicContact CD1-CB 4.44Å; L1134-I1207 HydrophobicContact CD1-CG1 4.08Å; L1134-I1207 HydrophobicContact CD1-CG2 3.77Å; L1134-I1207 HydrophobicContact CD2-CD1 3.66Å; L1134-I1207 HydrophobicContact CD2-CG1 3.9Å; L1134-I1207 HydrophobicContact CD2-CG2 3.84Å; L1134-I1207 HydrophobicContact CG-CG2 4.45Å
1135	Y	64.1	Low	58.7	Low	102 Å²	102	58 Å²	58	40%	0.4	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	127.9	175.2	-165.4	-102.3	0	0	0	110	V1133 E1137 H1144	V1133-Y1135 PolarHBondContact O-N 2.83Å; V1133-Y1135 VanDerWaalsContact O-N 3.16Å; Y1135-E1137 HydrophobicContact CD1-CG 4.34Å; Y1135-E1137 HydrophobicContact CE1-CG 4.3Å; Y1135-H1144 WeakPolarHBondContact CA-O 3.39Å; Y1135-H1144 VanDerWaalsContact CB-O 3.22Å; Y1135-H1144 WeakPolarHBondContact CB-O 3.18Å; Y1135-H1144 PolarHBondContact N-O 3.47Å; Y1135-H1144 PolarHBondContact O-N 3.14Å
1136	L	53	Low	58.8	Low	107 Å²	107	60.6 Å²	60.6	56%	0.56	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.2	172.1	-64.5	171.6	0	0	0	107.7	P1138 H1143	L1136-P1138 WeakPolarHBondContact O-CD 3.32Å; L1136-H1143 WeakPolarHBondContact CD2-CD2 3.39Å
1137	E	49.1	Very low	59.1	Low	69 Å²	69	60.7 Å²	60.7	32%	0.322	31%	0.31	S	S	.	.			trans	-67.6	126.2	171.9	-74	-149.2	136.1	0	0	110.1	Y1135 K1139	Y1135-E1137 HydrophobicContact CD1-CG 4.34Å; Y1135-E1137 HydrophobicContact CE1-CG 4.3Å; E1137-K1139 PolarHBondContact O-N 3.16Å
1138	P	45	Very low	59.6	Low	119 Å²	119	60 Å²	60	77%	0.773	31%	0.305	S	S	*	.	S	Bend	trans	-71.2	12	-177.4	-22	34.9	0	0	0	116	L1136	L1136-P1138 WeakPolarHBondContact O-CD 3.32Å
1139	K	43.2	Very low	59.9	Low	198 Å²	198	61.4 Å²	61.4	86%	0.861	32%	0.315	S	S	*	.	S	Bend	trans	-141.3	-42.2	-170.1	-69.9	-168.1	174.1	-172.6	0	114.6	E1137	E1137-K1139 PolarHBondContact O-N 3.16Å
1140	N	38.5	Very low	60	Low	63 Å²	63	65.2 Å²	65.2	34%	0.337	34%	0.341	S	S	.	.	S	Bend	trans	-104.8	143	170.2	-70.6	-48.1	0	0	0	109.1	N1142	N1140-N1142 HydrophobicContact CB-CB 4.5Å; N1140-N1142 PolarHBondContact O-N 3.45Å
1141	S	37.3	Very low	60	Low	106 Å²	106	62.2 Å²	62.2	74%	0.741	33%	0.332	S	S	*	.	S	Bend	trans	-75.8	32.3	174.7	53.2	0	0	0	0	113.4	K1206	S1141-K1206 PolarHBondContact O-NZ 2.98Å
1142	N	44.2	Very low	59.8	Low	67 Å²	67	64.7 Å²	64.7	36%	0.358	35%	0.35	S	S	.	.			trans	-88.2	133.9	168.4	-72	-22.4	0	0	0	109.3	N1140 K1206	N1140-N1142 HydrophobicContact CB-CB 4.5Å; N1140-N1142 PolarHBondContact O-N 3.45Å; N1142-K1206 PolarHBondContact OD1-NZ 3.29Å
1143	H	54.4	Low	59.3	Low	38 Å²	38	73.7 Å²	73.7	18%	0.176	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	149	169.5	-53.6	59.8	0	0	0	104.5	L1134 L1136 I1207 E1210	L1134-H1143 HydrophobicContact CD1-CB 4.31Å; L1136-H1143 WeakPolarHBondContact CD2-CD2 3.39Å; H1143-I1207 HydrophobicContact CB-CG1 4.42Å; H1143-I1207 VanDerWaalsContact CD2-CD1 3.5Å; H1143-I1207 WeakPolarHBondContact CD2-CD1 3.26Å; H1143-I1207 WeakPolarHBondContact CD2-CG1 3.49Å; H1143-E1210 WeakPolarHBondContact CB-OE1 3.45Å; H1143-E1210 VanDerWaalsContact CB-OE2 3.31Å; H1143-E1210 WeakPolarHBondContact CB-OE2 3.32Å; H1143-E1210 VanDerWaalsContact O-CD 3.28Å; H1143-E1210 VanDerWaalsContact O-OE1 3.12Å
1144	H	61.1	Low	58.7	Low	77 Å²	77	75 Å²	75	36%	0.356	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	133.1	172.8	-71.1	-55.3	0	0	0	108.6	W1120 Y1135 K1146 E1210	W1120-H1144 HydrophobicContact CE3-CB 4.01Å; W1120-H1144 HydrophobicContact CZ3-CB 3.83Å; Y1135-H1144 WeakPolarHBondContact CA-O 3.39Å; Y1135-H1144 VanDerWaalsContact CB-O 3.22Å; Y1135-H1144 WeakPolarHBondContact CB-O 3.18Å; Y1135-H1144 PolarHBondContact N-O 3.47Å; Y1135-H1144 PolarHBondContact O-N 3.14Å; H1144-K1146 PolarHBondContact O-N 2.94Å; H1144-E1210 PolarHBondContact N-OE2 2.99Å
1145	L	68	Low	58.8	Low	11 Å²	11	75.6 Å²	75.6	6%	0.058	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118.6	168.5	-72.3	161.6	0	0	0	108.3	P1121 V1133 L1134 I1211 W1214 I1229	P1121-L1145 WeakPolarHBondContact CD-O 3.41Å; P1121-L1145 HydrophobicContact CG-CB 4.03Å; V1133-L1145 WeakPolarHBondContact O-CA 3.14Å; L1134-L1145 HydrophobicContact CD1-CD2 4.34Å; L1145-I1211 HydrophobicContact CD1-CG1 4.1Å; L1145-I1211 HydrophobicContact CD2-CG1 4.23Å; L1145-W1214 HydrophobicContact CD1-CB 3.44Å; L1145-W1214 VanDerWaalsContact CD1-CB 3.44Å; L1145-W1214 HydrophobicContact CD1-CD2 4.2Å; L1145-W1214 HydrophobicContact CD1-CE3 4.33Å; L1145-W1214 HydrophobicContact CD1-CG 3.82Å; L1145-I1229 HydrophobicContact CD2-CD1 4.19Å
1146	K	74.7	Confident	58.8	Low	54 Å²	54	72.4 Å²	72.4	24%	0.235	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135	174.3	-178	158.5	179.9	138.4	0	110.2	D1119 W1120 T1132 V1133 H1144 V1148	D1119-K1146 HydrophobicContact CB-CD 4.46Å; D1119-K1146 HydrophobicContact CB-CG 4.36Å; D1119-K1146 WeakPolarHBondContact OD2-CE 3.49Å; D1119-K1146 IonicContact OD2-NZ 2.72Å; D1119-K1146 PolarHBondContact OD2-NZ 3.06Å; W1120-K1146 HydrophobicContact CE3-CB 4Å; W1120-K1146 HydrophobicContact CE3-CG 4.33Å; W1120-K1146 HydrophobicContact CH2-CD 4.32Å; W1120-K1146 HydrophobicContact CZ3-CB 3.79Å; W1120-K1146 HydrophobicContact CZ3-CD 4.07Å; W1120-K1146 HydrophobicContact CZ3-CG 4.17Å; T1132-K1146 WeakPolarHBondContact CA-O 3.04Å; V1133-K1146 HydrophobicContact CG1-CB 4.12Å; V1133-K1146 PolarHBondContact N-O 3.21Å; V1133-K1146 PolarHBondContact O-N 3.04Å; H1144-K1146 PolarHBondContact O-N 2.94Å; K1146-V1148 HydrophobicContact CG-CG1 4.41Å
1147	C	75.7	Confident	59.5	Low	2 Å²	2	71.7 Å²	71.7	1%	0.014	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.8	173.9	-61.7	0	0	0	0	110.6	D1119 C1129	D1119-C1147 WeakPolarHBondContact O-CB 3.28Å; D1119-C1147 PolarHBondContact O-N 3Å; C1129-C1147 HydrophobicContact CB-CB 3.59Å; C1129-C1147 WeakPolarHBondContact CB-SG 3.33Å; C1129-C1147 WeakPolarHBondContact SG-CB 3.39Å; C1129-C1147 CovalentContact SG-SG 2.02Å; C1129-C1147 PolarHBondContact SG-SG 2.72Å
1148	V	72.6	Confident	60.5	Low	31 Å²	31	69.4 Å²	69.4	19%	0.188	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	154.2	-174.8	-67.2	0	0	0	0	111.6	Q1131 V1133 K1146	Q1131-V1148 HydrophobicContact CB-CG2 4.09Å; Q1131-V1148 PolarHBondContact N-O 3.32Å; Q1131-V1148 PolarHBondContact O-N 2.8Å; V1133-V1148 HydrophobicContact CB-CG1 4.41Å; V1133-V1148 HydrophobicContact CB-CG2 4.05Å; V1133-V1148 HydrophobicContact CG1-CG1 3.62Å; V1133-V1148 HydrophobicContact CG1-CG2 4.15Å; K1146-V1148 HydrophobicContact CG-CG1 4.41Å
1149	N	70.2	Confident	61.3	Low	84 Å²	84	66.2 Å²	66.2	45%	0.449	36%	0.359	S	S	.	.	S	Bend	trans	-86.1	-18.5	179.5	-71.1	-30.4	0	0	0	113.8	K1130	K1130-N1149 PolarHBondContact NZ-O 3.28Å
1150	S	67.7	Low	62.1	Low	89 Å²	89	56.9 Å²	56.9	62%	0.622	32%	0.318	S	S	*	.	S	Bend	trans	-155.4	148.8	179.4	-54.9	0	0	0	0	110.3	Q1131	Q1131-S1150 VanDerWaalsContact OE1-CA 3.31Å
1151	C	64.5	Low	62.8	Low	38 Å²	38	57.5 Å²	57.5	26%	0.257	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-69.2	143.4	172.9	-63.4	0	0	0	0	113.8	Q1131 C1230	Q1131-C1151 VanDerWaalsContact OE1-N 3.17Å; C1151-C1230 WeakPolarHBondContact CA-SG 3.3Å; C1151-C1230 HydrophobicContact CB-CB 3.67Å; C1151-C1230 WeakPolarHBondContact CB-SG 3.3Å; C1151-C1230 WeakPolarHBondContact SG-CB 3.4Å; C1151-C1230 CovalentContact SG-SG 2.04Å; C1151-C1230 PolarHBondContact SG-SG 2.89Å
1152	P	66.3	Low	63.4	Low	65 Å²	65	53.5 Å²	53.5	42%	0.422	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-82.9	165.9	178	33.7	-36.1	0	0	0	114.1	V1133 T1155	V1133-P1152 HydrophobicContact CG2-CG 3.8Å; P1152-T1155 WeakPolarHBondContact CD-OG1 3.21Å; P1152-T1155 HydrophobicContact CG-CG2 4.17Å; P1152-T1155 PolarHBondContact O-N 3.46Å; P1152-T1155 PolarHBondContact O-OG1 2.95Å
1153	F	59.6	Low	63.4	Low	190 Å²	190	55 Å²	55	83%	0.833	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	139.6	178.8	-171.2	-90.9	0	0	0	112.8	T1155	F1153-T1155 VanDerWaalsContact C-N 3.28Å
1154	G	59.1	Low	62.7	Low	42 Å²	42	58.3 Å²	58.3	43%	0.433	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-0.2	-176.1	0	0	0	0	0	115.1	C1233	G1154-C1233 PolarHBondContact O-N 3.43Å
1155	T	66.3	Low	61.3	Low	36 Å²	36	66 Å²	66	22%	0.221	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	155.8	172.1	70.7	0	0	0	0	111.8	P1152 F1153 L1231	P1152-T1155 WeakPolarHBondContact CD-OG1 3.21Å; P1152-T1155 HydrophobicContact CG-CG2 4.17Å; P1152-T1155 PolarHBondContact O-N 3.46Å; P1152-T1155 PolarHBondContact O-OG1 2.95Å; F1153-T1155 VanDerWaalsContact C-N 3.28Å; T1155-L1231 CarbonylContact C-O 3.53Å; T1155-L1231 WeakPolarHBondContact CA-O 3.33Å; T1155-L1231 VanDerWaalsContact CB-O 3.22Å; T1155-L1231 WeakPolarHBondContact CB-O 3.47Å
1156	Y	64.4	Low	59.4	Low	34 Å²	34	68.5 Å²	68.5	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	152.1	166.8	64.4	-89.4	0	0	0	110.1	H1158 L1199 C1230 L1231 P1232 P1260	Y1156-H1158 HydrophobicContact CD2-CB 4.29Å; Y1156-H1158 HydrophobicContact CE2-CB 3.84Å; Y1156-H1158 PolarHBondContact O-N 2.83Å; Y1156-L1199 WeakPolarHBondContact OH-CD1 3.07Å; Y1156-C1230 CarbonylContact O-C 3.54Å; Y1156-C1230 WeakPolarHBondContact O-CA 3.41Å; Y1156-L1231 HydrophobicContact CD1-CB 4.48Å; Y1156-L1231 VanDerWaalsContact CD1-O 3.26Å; Y1156-L1231 WeakPolarHBondContact CD1-O 3.38Å; Y1156-L1231 HydrophobicContact CE1-CB 3.88Å; Y1156-L1231 HydrophobicContact CE2-CB 3.93Å; Y1156-L1231 HydrophobicContact CE2-CD1 4.13Å; Y1156-L1231 HydrophobicContact CE2-CG 4.47Å; Y1156-L1231 PolarHBondContact N-O 3.49Å; Y1156-L1231 PolarHBondContact O-N 2.8Å; Y1156-P1232 VanDerWaalsContact CE1-O 3.29Å; Y1156-P1232 WeakPolarHBondContact CE1-O 3.4Å; Y1156-P1260 HydrophobicContact CD1-CB 3.81Å; Y1156-P1260 HydrophobicContact CD2-CB 3.49Å; Y1156-P1260 VanDerWaalsContact CD2-CB 3.49Å; Y1156-P1260 HydrophobicContact CE1-CB 3.55Å; Y1156-P1260 WeakPolarHBondContact CE1-O 3.15Å; Y1156-P1260 HydrophobicContact CE2-CB 3.21Å; Y1156-P1260 HydrophobicContact CE2-CG 4.45Å; Y1156-P1260 HydrophobicContact CG-CB 3.78Å; Y1156-P1260 PolarHBondContact OH-O 2.64Å
1157	Q	68.3	Low	57	Low	93 Å²	93	69.4 Å²	69.4	44%	0.435	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118	170.7	-176.6	-177.6	-34.2	0	0	109.5	Q1228	Q1157-Q1228 VanDerWaalsContact NE2-CD 3.28Å; Q1157-Q1228 VanDerWaalsContact NE2-OE1 3.1Å
1158	H	69.2	Low	54.6	Low	21 Å²	21	71.6 Å²	71.6	10%	0.097	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	151.6	167.2	-166.6	54.4	0	0	0	110.7	Y1156 D1196 L1199 I1229 L1231	Y1156-H1158 HydrophobicContact CD2-CB 4.29Å; Y1156-H1158 HydrophobicContact CE2-CB 3.84Å; Y1156-H1158 PolarHBondContact O-N 2.83Å; H1158-D1196 IonicContact CD2-OD1 2.68Å; H1158-D1196 IonicContact CE1-OD1 3.42Å; H1158-D1196 IonicContact NE2-OD1 2.69Å; H1158-D1196 PolarHBondContact NE2-OD1 2.79Å; H1158-L1199 HydrophobicContact CB-CD2 4.4Å; H1158-I1229 HydrophobicContact CB-CG2 3.95Å; H1158-I1229 PolarHBondContact N-O 3.14Å; H1158-I1229 PolarHBondContact O-N 3.06Å; H1158-L1231 HydrophobicContact CB-CD1 3.7Å; H1158-L1231 HydrophobicContact CB-CG 4.18Å
1159	V	61.7	Low	52.4	Low	52 Å²	52	74.5 Å²	74.5	32%	0.315	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	109.1	177.3	-172.7	0	0	0	0	109.3	L1226 A1227	V1159-L1226 HydrophobicContact CG1-CB 3.95Å; V1159-L1226 HydrophobicContact CG1-CD1 4.31Å; V1159-L1226 HydrophobicContact CG1-CD2 3.95Å; V1159-L1226 HydrophobicContact CG1-CG 4.28Å; V1159-A1227 WeakPolarHBondContact CA-O 3.21Å
1160	I	60.1	Low	50.5	Low	1 Å²	1	76.9 Å²	76.9	1%	0.005	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.3	178.4	-62.1	172.5	0	0	0	108.9	L1162 W1192 F1200 L1215 L1226 A1227 I1229	I1160-L1162 HydrophobicContact CG2-CD2 4.24Å; I1160-W1192 HydrophobicContact CB-CZ3 4.2Å; I1160-W1192 HydrophobicContact CD1-CH2 3.96Å; I1160-W1192 HydrophobicContact CD1-CZ3 3.88Å; I1160-W1192 HydrophobicContact CG1-CH2 4.47Å; I1160-W1192 HydrophobicContact CG1-CZ3 3.88Å; I1160-W1192 HydrophobicContact CG2-CE3 4Å; I1160-W1192 HydrophobicContact CG2-CH2 4.13Å; I1160-W1192 HydrophobicContact CG2-CZ3 3.37Å; I1160-F1200 HydrophobicContact CD1-CE2 4.35Å; I1160-F1200 HydrophobicContact CD1-CZ 3.91Å; I1160-F1200 HydrophobicContact CG1-CE2 4.29Å; I1160-F1200 HydrophobicContact CG1-CZ 4.15Å; I1160-L1215 HydrophobicContact CD1-CD1 4.16Å; I1160-L1215 HydrophobicContact CD1-CD2 4.16Å; I1160-L1215 HydrophobicContact CG2-CD2 4.44Å; I1160-L1226 CarbonylContact O-C 3.52Å; I1160-L1226 VanDerWaalsContact O-CA 3.22Å; I1160-L1226 WeakPolarHBondContact O-CA 3.38Å; I1160-A1227 HydrophobicContact CB-CB 4.3Å; I1160-A1227 PolarHBondContact N-O 2.97Å; I1160-A1227 PolarHBondContact O-N 3.41Å; I1160-I1229 HydrophobicContact CD1-CB 4.48Å; I1160-I1229 HydrophobicContact CD1-CG2 3.79Å; I1160-I1229 HydrophobicContact CG1-CG2 4.1Å
1161	N	53.7	Low	48.7	Very low	77 Å²	77	79.4 Å²	79.4	41%	0.412	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	124.8	172.1	-170.4	-20.3	0	0	0	111.1	H1163 G1225 L1226	N1161-H1163 PolarHBondContact OD1-N 3.28Å; N1161-H1163 VanDerWaalsContact OD1-N 3.1Å; N1161-G1225 PolarHBondContact OD1-O 2.97Å; N1161-L1226 HydrophobicContact CB-CD2 4.34Å
1162	L	50	Low	47	Very low	21 Å²	21	88.3 Å²	88.3	11%	0.11	48%	0.48	C	S	.	.			trans	-102.5	-1.2	-174	-75.6	179.6	0	0	0	114.4	I1160 H1164 F1190 L1215 T1219 G1225 A1227	I1160-L1162 HydrophobicContact CG2-CD2 4.24Å; L1162-H1164 PolarHBondContact O-N 2.89Å; L1162-F1190 HydrophobicContact CD2-CE1 4.11Å; L1162-L1215 HydrophobicContact CD2-CD2 3.89Å; L1162-T1219 HydrophobicContact CB-CG2 4.35Å; L1162-T1219 HydrophobicContact CD1-CG2 3.74Å; L1162-T1219 HydrophobicContact CD2-CG2 3.45Å; L1162-T1219 VanDerWaalsContact CD2-CG2 3.45Å; L1162-T1219 HydrophobicContact CG-CG2 4.04Å; L1162-G1225 PolarHBondContact N-O 2.92Å; L1162-A1227 HydrophobicContact CD1-CB 3.85Å; L1162-A1227 HydrophobicContact CG-CB 4.33Å
1163	H	43.7	Very low	45.1	Very low	100 Å²	100	94.2 Å²	94.2	46%	0.463	50%	0.502	S	S	.	.			trans	-72.9	124.5	-173.8	-79	-63.3	0	0	0	114.1	N1161 G1225	N1161-H1163 PolarHBondContact OD1-N 3.28Å; N1161-H1163 VanDerWaalsContact OD1-N 3.1Å; H1163-G1225 WeakPolarHBondContact NE2-CA 3.23Å
1164	H	39.2	Very low	43.6	Very low	107 Å²	107	88.2 Å²	88.2	50%	0.495	48%	0.483	S	S	.	.			trans	-94.1	9.5	178.9	-135.9	-75.8	0	0	0	114.8	L1162 R1189	L1162-H1164 PolarHBondContact O-N 2.89Å; H1164-R1189 PolarHBondContact NE2-O 3.19Å
1165	R	33.3	Very low	42	Very low	239 Å²	239	91.4 Å²	91.4	90%	0.902	50%	0.495	S	S	*	.	S	Bend	trans	-148.9	132.2	-175.4	-70.1	-171.9	174.4	-176	-2.4	115.1
1166	G	27.2	Very low	40.3	Very low	62 Å²	62	91.7 Å²	91.7	64%	0.639	50%	0.496	S	S	*	.			trans	117.7	-14.7	134.7	0	0	0	0	0	119.2
1167	G	24.3	Very low	38.7	Very low	74 Å²	74	92.6 Å²	92.6	76%	0.763	51%	0.508	S	S	*	.			trans	-81.1	134.7	178.2	0	0	0	0	0	113.1
1168	S	25.4	Very low	37.1	Very low	47 Å²	47	90.6 Å²	90.6	33%	0.329	50%	0.498	S	S	.	.			trans	-79.2	167.2	165.9	-144.3	0	0	0	0	111	T485 V486 I487	T485-S1168 VanDerWaalsContact CG2-CB 3.49Å; T485-S1168 WeakPolarHBondContact CG2-OG 3.46Å; V486-S1168 PolarHBondContact O-OG 3.15Å; I487-S1168 WeakPolarHBondContact CG1-OG 3.49Å
1169	S	26.5	Very low	35.3	Very low	93 Å²	93	93 Å²	93	65%	0.65	51%	0.511	S	S	*	.			trans	57.9	69.9	173.3	71.6	0	0	0	0	118.1
1170	V	29.7	Very low	34.1	Very low	134 Å²	134	93.8 Å²	93.8	81%	0.812	51%	0.513	S	S	*	.			trans	-135	127.6	140	-174.4	0	0	0	0	107.4
1171	D	30.6	Very low	32.6	Very low	141 Å²	141	99.7 Å²	99.7	75%	0.754	54%	0.538	S	S	*	.			trans	-74.3	141.5	-174.3	-103	-56.5	0	0	0	113.5	Q1173	D1171-Q1173 PolarHBondContact O-N 3.26Å
1172	R	28.9	Very low	31.5	Very low	226 Å²	226	104 Å²	104	85%	0.853	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	55	180	-72.3	-175.3	170.8	-174.7	-2.6	112.5
1173	Q	27	Very low	30.5	Very low	189 Å²	189	111 Å²	111	88%	0.883	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	12.9	173.1	-69.3	-160.2	-3.7	0	0	114.9	D1171	D1171-Q1173 PolarHBondContact O-N 3.26Å
1174	S	26.2	Very low	30	Very low	63 Å²	63	114 Å²	114	44%	0.441	61%	0.608	S	S	.	*			trans	-157.6	124.1	159.8	50	0	0	0	0	110.3	Q1194	S1174-Q1194 PolarHBondContact O-OE1 3.5Å; S1174-Q1194 PolarHBondContact OG-OE1 2.74Å
1175	T	26.8	Very low	29.4	Very low	110 Å²	110	112.1 Å²	112.1	68%	0.675	61%	0.606	S	S	*	*			trans	-145.8	99.7	179.7	49.2	0	0	0	0	110.3	S1177	T1175-S1177 PolarHBondContact O-N 2.82Å
1176	V	30	Very low	29.2	Very low	41 Å²	41	105.2 Å²	105.2	25%	0.248	60%	0.595	C	S	.	*			trans	-74	121.5	173.2	-178.5	0	0	0	0	108.9	F1178 A1197	V1176-F1178 HydrophobicContact CG1-CD2 4.15Å; V1176-F1178 HydrophobicContact CG1-CE1 4.19Å; V1176-F1178 HydrophobicContact CG1-CE2 3.63Å; V1176-F1178 HydrophobicContact CG1-CZ 3.66Å; V1176-A1197 HydrophobicContact CB-CB 3.89Å; V1176-A1197 HydrophobicContact CG2-CB 3.81Å
1177	S	31.9	Very low	29.2	Very low	54 Å²	54	108.9 Å²	108.9	38%	0.378	60%	0.597	S	S	.	*			trans	-116.5	120.7	174.7	-57.1	0	0	0	0	108.2	T1175	T1175-S1177 PolarHBondContact O-N 2.82Å
1178	F	34.4	Very low	29.7	Very low	51 Å²	51	109.4 Å²	109.4	22%	0.224	58%	0.582	C	S	.	*			trans	-92.8	115.4	175.8	-70.3	-71.7	0	0	0	110	V1176 I1180 F1200 I1208	V1176-F1178 HydrophobicContact CG1-CD2 4.15Å; V1176-F1178 HydrophobicContact CG1-CE1 4.19Å; V1176-F1178 HydrophobicContact CG1-CE2 3.63Å; V1176-F1178 HydrophobicContact CG1-CZ 3.66Å; F1178-I1180 PolarHBondContact O-N 3.2Å; F1178-F1200 HydrophobicContact CE2-CB 4.22Å; F1178-F1200 HydrophobicContact CZ-CB 4.44Å; F1178-I1208 HydrophobicContact CB-CG2 4.26Å; F1178-I1208 HydrophobicContact CD1-CD1 4.24Å; F1178-I1208 HydrophobicContact CD1-CG2 3.91Å; F1178-I1208 HydrophobicContact CD2-CG2 3.82Å; F1178-I1208 HydrophobicContact CE1-CD1 3.62Å; F1178-I1208 HydrophobicContact CE1-CG2 4.18Å; F1178-I1208 HydrophobicContact CE2-CG2 4.08Å; F1178-I1208 HydrophobicContact CG-CG2 3.73Å; F1178-I1208 HydrophobicContact CZ-CD1 3.81Å; F1178-I1208 HydrophobicContact CZ-CG2 4.26Å
1179	N	31.5	Very low	30.3	Very low	72 Å²	72	110 Å²	110	39%	0.385	58%	0.578	S	S	.	*			trans	-81.4	89.7	174.6	-79.7	-3.2	0	0	0	110	D473	D473-N1179 WeakPolarHBondContact CB-ND2 3.42Å; D473-N1179 PolarHBondContact OD2-ND2 2.69Å
1180	I	35.3	Very low	31	Very low	67 Å²	67	107.5 Å²	107.5	34%	0.344	56%	0.555	S	S	.	*			trans	-63.1	132.4	163.2	-46.5	174.1	0	0	0	107.4	F1178 L1216	F1178-I1180 PolarHBondContact O-N 3.2Å; I1180-L1216 HydrophobicContact CD1-CD1 3.99Å
1181	K	29.5	Very low	31.7	Very low	125 Å²	125	105.7 Å²	105.7	54%	0.543	54%	0.544	S	S	.	.			trans	-87.3	152.5	178.6	-67.7	-169.7	174.8	-171.3	0	111.8	H1439	K1181-H1439 PolarHBondContact NZ-O 2.04Å
1182	E	30.2	Very low	32.3	Very low	168 Å²	168	100.7 Å²	100.7	79%	0.785	52%	0.515	S	S	*	.	S	Bend	trans	82.6	120.1	165.1	-58	-175.9	-176.1	0	0	118.9
1183	Q	29.3	Very low	33.1	Very low	169 Å²	169	92.3 Å²	92.3	79%	0.79	49%	0.491	S	S	*	.	S	Bend	trans	58.8	76.7	148.4	-55.7	-178.6	34.9	0	0	119.2
1184	N	32.9	Very low	34	Very low	163 Å²	163	86.3 Å²	86.3	87%	0.872	46%	0.463	S	S	*	.				166.2	113.1	129.9	-91.3	-61.3	0	0	0	112	S1186	N1184-S1186 PolarHBondContact O-N 3.01Å
1185	S	27.2	Very low	35	Very low	66 Å²	66	87.1 Å²	87.1	46%	0.462	47%	0.465	S	S	.	.			trans	-94.4	80.3	-175.8	55.4	0	0	0	0	114.9	D1859	S1185-D1859 WeakPolarHBondContact CB-OD1 3.26Å; S1185-D1859 PolarHBondContact OG-OD1 3.42Å
1186	S	28.2	Very low	36.3	Very low	95 Å²	95	82.2 Å²	82.2	66%	0.664	44%	0.435	S	S	*	.	S	Bend	trans	-156.8	17.5	159.7	91.2	0	0	0	0	116.4	N1184	N1184-S1186 PolarHBondContact O-N 3.01Å
1187	M	27.6	Very low	37.3	Very low	139 Å²	139	80.4 Å²	80.4	69%	0.685	42%	0.424	S	S	*	.			trans	-157.2	173.1	-175.5	-140.7	160.4	178.2	0	0	110.8
1188	N	34	Very low	38.3	Very low	85 Å²	85	80.4 Å²	80.4	46%	0.455	42%	0.42	S	S	.	.			trans	80.8	94.8	159.8	-49.2	-19.3	0	0	0	117.4	Y477 L1216	Y477-N1188 PolarHBondContact OH-O 3.34Å; N1188-L1216 HydrophobicContact CB-CD1 4.11Å; N1188-L1216 HydrophobicContact CB-CD2 3.59Å; N1188-L1216 HydrophobicContact CB-CG 4.49Å; N1188-L1216 VanDerWaalsContact OD1-CD2 3.32Å; N1188-L1216 WeakPolarHBondContact OD1-CD2 3.37Å
1189	R	39.2	Very low	39.4	Very low	60 Å²	60	78.4 Å²	78.4	23%	0.226	41%	0.412	C	S	.	.			trans	-144.4	116.7	150.3	-156.9	-171.4	-42.7	-151.6	-3.7	109.8	Y477 E478 H1164	Y477-R1189 HydrophobicContact CE1-CB 3.86Å; Y477-R1189 HydrophobicContact CE1-CG 4.39Å; Y477-R1189 PolarHBondContact OH-NE 3.14Å; Y477-R1189 PolarHBondContact OH-NH2 3.17Å; E478-R1189 VanDerWaalsContact CD-NH2 3.33Å; E478-R1189 IonicContact OE1-NH2 2.64Å; E478-R1189 PolarHBondContact OE1-NH2 2.79Å; H1164-R1189 PolarHBondContact NE2-O 3.19Å
1190	F	41.2	Very low	40.8	Very low	39 Å²	39	75.1 Å²	75.1	17%	0.171	39%	0.394	C	S	.	.			trans	-83.6	119	170.8	-77.1	-55.8	0	0	0	110.6	L1162 W1192 L1215 L1216 T1219	L1162-F1190 HydrophobicContact CD2-CE1 4.11Å; F1190-W1192 PolarHBondContact O-N 3.49Å; F1190-L1215 HydrophobicContact CD2-CB 4.45Å; F1190-L1215 HydrophobicContact CE2-CB 3.5Å; F1190-L1215 VanDerWaalsContact CE2-CB 3.5Å; F1190-L1215 HydrophobicContact CZ-CB 3.67Å; F1190-L1216 HydrophobicContact CD2-CD2 4.08Å; F1190-L1216 HydrophobicContact CE2-CD2 3.41Å; F1190-L1216 VanDerWaalsContact CE2-CD2 3.41Å; F1190-L1216 HydrophobicContact CE2-CG 3.75Å; F1190-L1216 HydrophobicContact CZ-CD2 3.82Å; F1190-L1216 HydrophobicContact CZ-CG 4.42Å; F1190-T1219 HydrophobicContact CE1-CG2 3.72Å; F1190-T1219 HydrophobicContact CZ-CG2 3.71Å; F1190-T1219 WeakPolarHBondContact CZ-OG1 3.2Å
1191	T	43.6	Very low	41.7	Very low	97 Å²	97	78.2 Å²	78.2	60%	0.595	41%	0.407	S	S	*	.			trans	-87	84	165	51	0	0	0	0	108.6
1192	W	44.2	Very low	42.9	Very low	36 Å²	36	77.9 Å²	77.9	14%	0.136	41%	0.411	C	S	.	.			trans	-58.9	152.2	171.1	-64.5	97.1	0	0	0	111.4	I1160 F1190 D1196 A1197 F1200 I1211 L1215	I1160-W1192 HydrophobicContact CB-CZ3 4.2Å; I1160-W1192 HydrophobicContact CD1-CH2 3.96Å; I1160-W1192 HydrophobicContact CD1-CZ3 3.88Å; I1160-W1192 HydrophobicContact CG1-CH2 4.47Å; I1160-W1192 HydrophobicContact CG1-CZ3 3.88Å; I1160-W1192 HydrophobicContact CG2-CE3 4Å; I1160-W1192 HydrophobicContact CG2-CH2 4.13Å; I1160-W1192 HydrophobicContact CG2-CZ3 3.37Å; F1190-W1192 PolarHBondContact O-N 3.49Å; W1192-D1196 HydrophobicContact CB-CB 4.22Å; W1192-D1196 HydrophobicContact CD2-CB 4.38Å; W1192-D1196 HydrophobicContact CE3-CB 3.56Å; W1192-D1196 HydrophobicContact CZ3-CB 4.21Å; W1192-A1197 HydrophobicContact CB-CB 4.36Å; W1192-F1200 HydrophobicContact CD2-CD2 4.5Å; W1192-F1200 HydrophobicContact CE3-CD2 4.03Å; W1192-F1200 AromaticContact CE3-CE2 3.96Å; W1192-F1200 HydrophobicContact CE3-CE2 3.96Å; W1192-F1200 AromaticContact CH2-CD2 3.77Å; W1192-F1200 HydrophobicContact CH2-CD2 3.77Å; W1192-F1200 AromaticContact CH2-CE2 3.55Å; W1192-F1200 HydrophobicContact CH2-CE2 3.55Å; W1192-F1200 HydrophobicContact CH2-CG 4.49Å; W1192-F1200 HydrophobicContact CH2-CZ 4.06Å; W1192-F1200 HydrophobicContact CZ2-CD2 4.33Å; W1192-F1200 AromaticContact CZ3-CD2 3.62Å; W1192-F1200 HydrophobicContact CZ3-CD2 3.62Å; W1192-F1200 AromaticContact CZ3-CE2 3.22Å; W1192-F1200 HydrophobicContact CZ3-CE2 3.22Å; W1192-F1200 HydrophobicContact CZ3-CZ 4.04Å; W1192-I1211 HydrophobicContact CH2-CG2 4.36Å; W1192-L1215 HydrophobicContact CH2-CD1 3.37Å; W1192-L1215 HydrophobicContact CZ2-CD1 3.67Å; W1192-L1215 HydrophobicContact CZ3-CD1 4.32Å
1193	S	45	Very low	44.2	Very low	50 Å²	50	71.5 Å²	71.5	35%	0.35	38%	0.381	S	S	.	.			trans	-67.8	158.3	166.3	80.3	0	0	0	0	109.9	T1195 D1196 A1197	S1193-T1195 PolarHBondContact O-N 3.21Å; S1193-T1195 PolarHBondContact OG-N 3.02Å; S1193-D1196 VanDerWaalsContact CB-OD2 3.27Å; S1193-D1196 WeakPolarHBondContact CB-OD2 3.37Å; S1193-D1196 PolarHBondContact N-OD2 3.44Å; S1193-D1196 PolarHBondContact O-N 3.02Å; S1193-D1196 VanDerWaalsContact O-N 3.16Å; S1193-D1196 VanDerWaalsContact OG-CG 3.24Å; S1193-D1196 PolarHBondContact OG-N 3.49Å; S1193-D1196 VanDerWaalsContact OG-N 3.16Å; S1193-D1196 PolarHBondContact OG-OD2 2.86Å; S1193-A1197 VanDerWaalsContact O-CB 3.28Å; S1193-A1197 WeakPolarHBondContact O-CB 3.33Å; S1193-A1197 PolarHBondContact O-N 2.93Å
1194	Q	45	Very low	45.7	Very low	62 Å²	62	67.2 Å²	67.2	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-60.2	-30.4	177	-169.5	58.1	42.3	0	0	112.2	S1174 N1198	S1174-Q1194 PolarHBondContact O-OE1 3.5Å; S1174-Q1194 PolarHBondContact OG-OE1 2.74Å; Q1194-N1198 PolarHBondContact NE2-OD1 2.86Å; Q1194-N1198 WeakPolarHBondContact O-CB 3.18Å; Q1194-N1198 VanDerWaalsContact O-CG 3.24Å; Q1194-N1198 PolarHBondContact O-N 3.42Å; Q1194-N1198 PolarHBondContact O-OD1 3.34Å
1195	T	47.2	Very low	46.9	Very low	81 Å²	81	63.5 Å²	63.5	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-48.2	175.3	-42.8	0	0	0	0	111.4	S1193 L1199	S1193-T1195 PolarHBondContact O-N 3.21Å; S1193-T1195 PolarHBondContact OG-N 3.02Å; T1195-L1199 PolarHBondContact O-N 2.97Å
1196	D	54.5	Low	48.3	Very low	6 Å²	6	64 Å²	64	3%	0.032	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-43.7	176.7	-56.8	-60.6	0	0	0	110.9	H1158 W1192 S1193 N1198 L1199 F1200	H1158-D1196 IonicContact CD2-OD1 2.68Å; H1158-D1196 IonicContact CE1-OD1 3.42Å; H1158-D1196 IonicContact NE2-OD1 2.69Å; H1158-D1196 PolarHBondContact NE2-OD1 2.79Å; W1192-D1196 HydrophobicContact CB-CB 4.22Å; W1192-D1196 HydrophobicContact CD2-CB 4.38Å; W1192-D1196 HydrophobicContact CE3-CB 3.56Å; W1192-D1196 HydrophobicContact CZ3-CB 4.21Å; S1193-D1196 VanDerWaalsContact CB-OD2 3.27Å; S1193-D1196 WeakPolarHBondContact CB-OD2 3.37Å; S1193-D1196 PolarHBondContact N-OD2 3.44Å; S1193-D1196 PolarHBondContact O-N 3.02Å; S1193-D1196 VanDerWaalsContact O-N 3.16Å; S1193-D1196 VanDerWaalsContact OG-CG 3.24Å; S1193-D1196 PolarHBondContact OG-N 3.49Å; S1193-D1196 VanDerWaalsContact OG-N 3.16Å; S1193-D1196 PolarHBondContact OG-OD2 2.86Å; D1196-N1198 VanDerWaalsContact C-N 3.34Å; D1196-N1198 PolarHBondContact O-N 2.84Å; D1196-L1199 WeakPolarHBondContact O-CA 3.44Å; D1196-L1199 VanDerWaalsContact O-CB 3.26Å; D1196-L1199 WeakPolarHBondContact O-CB 3.45Å; D1196-L1199 PolarHBondContact O-N 2.8Å; D1196-F1200 HydrophobicContact CB-CD2 4.29Å; D1196-F1200 HydrophobicContact CB-CE2 4.21Å; D1196-F1200 WeakPolarHBondContact O-CD2 3.32Å; D1196-F1200 PolarHBondContact O-N 3.29Å
1197	A	52	Low	49.8	Very low	3 Å²	3	59.9 Å²	59.9	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-57.5	-44.4	178.7	0	0	0	0	0	112.3	V1176 W1192 S1193 L1199 H1201	V1176-A1197 HydrophobicContact CB-CB 3.89Å; V1176-A1197 HydrophobicContact CG2-CB 3.81Å; W1192-A1197 HydrophobicContact CB-CB 4.36Å; S1193-A1197 VanDerWaalsContact O-CB 3.28Å; S1193-A1197 WeakPolarHBondContact O-CB 3.33Å; S1193-A1197 PolarHBondContact O-N 2.93Å; A1197-L1199 VanDerWaalsContact C-N 3.3Å; A1197-L1199 PolarHBondContact O-N 3.47Å; A1197-H1201 WeakPolarHBondContact O-CB 3.04Å; A1197-H1201 PolarHBondContact O-N 3.24Å; A1197-H1201 VanDerWaalsContact O-N 3.15Å
1198	N	51.4	Low	51.5	Low	54 Å²	54	53.8 Å²	53.8	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-35.2	173.1	-74.5	8.9	0	0	0	112.3	Q1194 D1196 N1202 E1263	Q1194-N1198 PolarHBondContact NE2-OD1 2.86Å; Q1194-N1198 WeakPolarHBondContact O-CB 3.18Å; Q1194-N1198 VanDerWaalsContact O-CG 3.24Å; Q1194-N1198 PolarHBondContact O-N 3.42Å; Q1194-N1198 PolarHBondContact O-OD1 3.34Å; D1196-N1198 VanDerWaalsContact C-N 3.34Å; D1196-N1198 PolarHBondContact O-N 2.84Å; N1198-N1202 PolarHBondContact O-ND2 3.08Å; N1198-E1263 PolarHBondContact ND2-OE2 2.61Å
1199	L	58.4	Low	52.7	Low	10 Å²	10	52 Å²	52	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-67.8	-51.5	-179.5	-154.4	72.9	0	0	0	111.2	Y1156 H1158 T1195 D1196 A1197 H1201 F1203 L1231	Y1156-L1199 WeakPolarHBondContact OH-CD1 3.07Å; H1158-L1199 HydrophobicContact CB-CD2 4.4Å; T1195-L1199 PolarHBondContact O-N 2.97Å; D1196-L1199 WeakPolarHBondContact O-CA 3.44Å; D1196-L1199 VanDerWaalsContact O-CB 3.26Å; D1196-L1199 WeakPolarHBondContact O-CB 3.45Å; D1196-L1199 PolarHBondContact O-N 2.8Å; A1197-L1199 VanDerWaalsContact C-N 3.3Å; A1197-L1199 PolarHBondContact O-N 3.47Å; L1199-H1201 VanDerWaalsContact C-N 3.32Å; L1199-H1201 PolarHBondContact O-N 3.14Å; L1199-F1203 WeakPolarHBondContact O-CD2 3.46Å; L1199-L1231 HydrophobicContact CD2-CD1 3.63Å; L1199-L1231 HydrophobicContact CG-CD1 4.39Å
1200	F	60.5	Low	53.6	Low	2 Å²	2	50.9 Å²	50.9	1%	0.009	28%	0.276	C	S	.	.	H	α-helix	trans	-72.6	-21.2	-178	-67.2	-66.7	0	0	0	113.6	I1160 F1178 W1192 D1196 N1202 F1203 I1208 I1211 L1231	I1160-F1200 HydrophobicContact CD1-CE2 4.35Å; I1160-F1200 HydrophobicContact CD1-CZ 3.91Å; I1160-F1200 HydrophobicContact CG1-CE2 4.29Å; I1160-F1200 HydrophobicContact CG1-CZ 4.15Å; F1178-F1200 HydrophobicContact CE2-CB 4.22Å; F1178-F1200 HydrophobicContact CZ-CB 4.44Å; W1192-F1200 HydrophobicContact CD2-CD2 4.5Å; W1192-F1200 HydrophobicContact CE3-CD2 4.03Å; W1192-F1200 AromaticContact CE3-CE2 3.96Å; W1192-F1200 HydrophobicContact CE3-CE2 3.96Å; W1192-F1200 AromaticContact CH2-CD2 3.77Å; W1192-F1200 HydrophobicContact CH2-CD2 3.77Å; W1192-F1200 AromaticContact CH2-CE2 3.55Å; W1192-F1200 HydrophobicContact CH2-CE2 3.55Å; W1192-F1200 HydrophobicContact CH2-CG 4.49Å; W1192-F1200 HydrophobicContact CH2-CZ 4.06Å; W1192-F1200 HydrophobicContact CZ2-CD2 4.33Å; W1192-F1200 AromaticContact CZ3-CD2 3.62Å; W1192-F1200 HydrophobicContact CZ3-CD2 3.62Å; W1192-F1200 AromaticContact CZ3-CE2 3.22Å; W1192-F1200 HydrophobicContact CZ3-CE2 3.22Å; W1192-F1200 HydrophobicContact CZ3-CZ 4.04Å; D1196-F1200 HydrophobicContact CB-CD2 4.29Å; D1196-F1200 HydrophobicContact CB-CE2 4.21Å; D1196-F1200 WeakPolarHBondContact O-CD2 3.32Å; D1196-F1200 PolarHBondContact O-N 3.29Å; F1200-N1202 PolarHBondContact O-N 3.27Å; F1200-F1203 HydrophobicContact CD1-CD2 4.23Å; F1200-F1203 PolarHBondContact O-N 2.94Å; F1200-I1208 VanDerWaalsContact O-CD1 3.23Å; F1200-I1208 WeakPolarHBondContact O-CD1 3.44Å; F1200-I1211 HydrophobicContact CD1-CD1 4.46Å; F1200-I1211 HydrophobicContact CE1-CD1 4.05Å; F1200-I1211 HydrophobicContact CE1-CG2 4.45Å; F1200-L1231 HydrophobicContact CE1-CD1 4.22Å; F1200-L1231 HydrophobicContact CE1-CD2 4.42Å; F1200-L1231 HydrophobicContact CZ-CD1 4.27Å
1201	H	55	Low	54.6	Low	132 Å²	132	49.1 Å²	49.1	61%	0.611	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.3	174.8	-166.7	-65.3	0	0	0	114.2	A1197 L1199	A1197-H1201 WeakPolarHBondContact O-CB 3.04Å; A1197-H1201 PolarHBondContact O-N 3.24Å; A1197-H1201 VanDerWaalsContact O-N 3.15Å; L1199-H1201 VanDerWaalsContact C-N 3.32Å; L1199-H1201 PolarHBondContact O-N 3.14Å
1202	N	54.8	Low	55.4	Low	118 Å²	118	44.8 Å²	44.8	63%	0.631	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	1.1	-179.1	-61.4	-63.5	0	0	0	114.4	N1198 F1200	N1198-N1202 PolarHBondContact O-ND2 3.08Å; F1200-N1202 PolarHBondContact O-N 3.27Å
1203	F	57.5	Low	56	Low	35 Å²	35	47.3 Å²	47.3	15%	0.154	26%	0.258	C	S	.	.	S	Bend	trans	-92.3	145.8	179.8	-74.5	-100.3	0	0	0	111.9	L1199 F1200 I1207 I1208 L1231	L1199-F1203 WeakPolarHBondContact O-CD2 3.46Å; F1200-F1203 HydrophobicContact CD1-CD2 4.23Å; F1200-F1203 PolarHBondContact O-N 2.94Å; F1203-I1207 HydrophobicContact CB-CG2 4.38Å; F1203-I1207 HydrophobicContact CD1-CG2 3.84Å; F1203-I1207 HydrophobicContact CG-CG2 4.49Å; F1203-I1208 HydrophobicContact CB-CD1 4.22Å; F1203-I1208 HydrophobicContact CB-CG1 3.83Å; F1203-I1208 WeakPolarHBondContact O-CD1 3.43Å; F1203-L1231 HydrophobicContact CE1-CD2 4.08Å; F1203-L1231 HydrophobicContact CE2-CD1 4.49Å; F1203-L1231 HydrophobicContact CZ-CB 4.2Å; F1203-L1231 HydrophobicContact CZ-CD1 4.17Å; F1203-L1231 HydrophobicContact CZ-CD2 3.86Å; F1203-L1231 HydrophobicContact CZ-CG 4.3Å
1204	P	61	Low	56.7	Low	78 Å²	78	45.8 Å²	45.8	51%	0.506	25%	0.245	S	C	.	.			trans	-54.8	142	168.6	-26.9	33.4	0	0	0	112.5	K1206 I1207 I1208	P1204-K1206 VanDerWaalsContact C-N 3.33Å; P1204-K1206 PolarHBondContact O-N 2.74Å; P1204-I1207 HydrophobicContact CB-CD1 4.07Å; P1204-I1207 HydrophobicContact CG-CD1 3.86Å; P1204-I1207 WeakPolarHBondContact O-CB 3.38Å; P1204-I1207 PolarHBondContact O-N 3.05Å; P1204-I1208 PolarHBondContact O-N 2.77Å
1205	S	56.9	Low	57.4	Low	85 Å²	85	42.9 Å²	42.9	59%	0.594	23%	0.231	S	C	*	.	H	α-helix	trans	-55.3	-43.9	-173	66.2	0	0	0	0	113	I1207 I1208 D1209	S1205-I1207 PolarHBondContact O-N 3.28Å; S1205-I1207 VanDerWaalsContact O-N 3.1Å; S1205-I1208 CarbonylContact O-C 3.47Å; S1205-I1208 WeakPolarHBondContact O-CA 3.44Å; S1205-I1208 WeakPolarHBondContact O-CB 3.5Å; S1205-I1208 PolarHBondContact O-N 3.11Å; S1205-D1209 VanDerWaalsContact C-OD2 3.28Å; S1205-D1209 VanDerWaalsContact O-CG 3.23Å; S1205-D1209 PolarHBondContact O-N 3.19Å
1206	K	56.3	Low	57.7	Low	77 Å²	77	40.7 Å²	40.7	34%	0.335	22%	0.216	S	C	.	.	H	α-helix	trans	-52.9	-35.5	177.4	-172.6	173.5	179.8	177.6	0	113	S1141 N1142 P1204 E1210	S1141-K1206 PolarHBondContact O-NZ 2.98Å; N1142-K1206 PolarHBondContact OD1-NZ 3.29Å; P1204-K1206 VanDerWaalsContact C-N 3.33Å; P1204-K1206 PolarHBondContact O-N 2.74Å; K1206-E1210 WeakPolarHBondContact O-CB 3.29Å; K1206-E1210 WeakPolarHBondContact O-CG 3.44Å; K1206-E1210 PolarHBondContact O-N 2.93Å
1207	I	60.5	Low	57.5	Low	9 Å²	9	45.7 Å²	45.7	5%	0.046	24%	0.243	C	C	.	.	H	α-helix	trans	-74.3	-39.4	176	-66.4	161.1	0	0	0	111.1	L1134 H1143 F1203 P1204 S1205 D1209 I1211	L1134-I1207 HydrophobicContact CD1-CB 4.44Å; L1134-I1207 HydrophobicContact CD1-CG1 4.08Å; L1134-I1207 HydrophobicContact CD1-CG2 3.77Å; L1134-I1207 HydrophobicContact CD2-CD1 3.66Å; L1134-I1207 HydrophobicContact CD2-CG1 3.9Å; L1134-I1207 HydrophobicContact CD2-CG2 3.84Å; L1134-I1207 HydrophobicContact CG-CG2 4.45Å; H1143-I1207 HydrophobicContact CB-CG1 4.42Å; H1143-I1207 VanDerWaalsContact CD2-CD1 3.5Å; H1143-I1207 WeakPolarHBondContact CD2-CD1 3.26Å; H1143-I1207 WeakPolarHBondContact CD2-CG1 3.49Å; F1203-I1207 HydrophobicContact CB-CG2 4.38Å; F1203-I1207 HydrophobicContact CD1-CG2 3.84Å; F1203-I1207 HydrophobicContact CG-CG2 4.49Å; P1204-I1207 HydrophobicContact CB-CD1 4.07Å; P1204-I1207 HydrophobicContact CG-CD1 3.86Å; P1204-I1207 WeakPolarHBondContact O-CB 3.38Å; P1204-I1207 PolarHBondContact O-N 3.05Å; S1205-I1207 PolarHBondContact O-N 3.28Å; S1205-I1207 VanDerWaalsContact O-N 3.1Å; I1207-D1209 VanDerWaalsContact C-N 3.35Å; I1207-I1211 HydrophobicContact CG2-CD1 3.63Å; I1207-I1211 HydrophobicContact CG2-CG1 4.34Å; I1207-I1211 VanDerWaalsContact O-CB 3.31Å; I1207-I1211 WeakPolarHBondContact O-CB 3.05Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.16Å; I1207-I1211 PolarHBondContact O-N 2.99Å
1208	I	62.4	Low	57.6	Low	10 Å²	10	46.7 Å²	46.7	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-39.1	175.4	-56.6	176	0	0	0	110.6	F1178 F1200 F1203 P1204 S1205 S1212	F1178-I1208 HydrophobicContact CB-CG2 4.26Å; F1178-I1208 HydrophobicContact CD1-CD1 4.24Å; F1178-I1208 HydrophobicContact CD1-CG2 3.91Å; F1178-I1208 HydrophobicContact CD2-CG2 3.82Å; F1178-I1208 HydrophobicContact CE1-CD1 3.62Å; F1178-I1208 HydrophobicContact CE1-CG2 4.18Å; F1178-I1208 HydrophobicContact CE2-CG2 4.08Å; F1178-I1208 HydrophobicContact CG-CG2 3.73Å; F1178-I1208 HydrophobicContact CZ-CD1 3.81Å; F1178-I1208 HydrophobicContact CZ-CG2 4.26Å; F1200-I1208 VanDerWaalsContact O-CD1 3.23Å; F1200-I1208 WeakPolarHBondContact O-CD1 3.44Å; F1203-I1208 HydrophobicContact CB-CD1 4.22Å; F1203-I1208 HydrophobicContact CB-CG1 3.83Å; F1203-I1208 WeakPolarHBondContact O-CD1 3.43Å; P1204-I1208 PolarHBondContact O-N 2.77Å; S1205-I1208 CarbonylContact O-C 3.47Å; S1205-I1208 WeakPolarHBondContact O-CA 3.44Å; S1205-I1208 WeakPolarHBondContact O-CB 3.5Å; S1205-I1208 PolarHBondContact O-N 3.11Å; I1208-S1212 WeakPolarHBondContact O-CB 3.38Å; I1208-S1212 PolarHBondContact O-N 3.33Å; I1208-S1212 PolarHBondContact O-OG 3.26Å
1209	D	59.1	Low	57.3	Low	49 Å²	49	45.4 Å²	45.4	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-46.5	176.2	-64.6	-44.6	0	0	0	110.5	S1205 I1207 S1212 L1213	S1205-D1209 VanDerWaalsContact C-OD2 3.28Å; S1205-D1209 VanDerWaalsContact O-CG 3.23Å; S1205-D1209 PolarHBondContact O-N 3.19Å; I1207-D1209 VanDerWaalsContact C-N 3.35Å; D1209-S1212 PolarHBondContact O-N 3.45Å; D1209-L1213 VanDerWaalsContact O-CB 3.31Å; D1209-L1213 WeakPolarHBondContact O-CB 3.32Å; D1209-L1213 WeakPolarHBondContact O-CG 3.46Å; D1209-L1213 PolarHBondContact O-N 3.28Å
1210	E	58.8	Low	56.5	Low	36 Å²	36	48.7 Å²	48.7	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-65.5	-44.6	175.1	-77.6	173.8	-145.6	0	0	113.1	H1143 H1144 K1206 S1212 L1213 W1214	H1143-E1210 WeakPolarHBondContact CB-OE1 3.45Å; H1143-E1210 VanDerWaalsContact CB-OE2 3.31Å; H1143-E1210 WeakPolarHBondContact CB-OE2 3.32Å; H1143-E1210 VanDerWaalsContact O-CD 3.28Å; H1143-E1210 VanDerWaalsContact O-OE1 3.12Å; H1144-E1210 PolarHBondContact N-OE2 2.99Å; K1206-E1210 WeakPolarHBondContact O-CB 3.29Å; K1206-E1210 WeakPolarHBondContact O-CG 3.44Å; K1206-E1210 PolarHBondContact O-N 2.93Å; E1210-S1212 VanDerWaalsContact C-N 3.29Å; E1210-S1212 PolarHBondContact O-N 2.93Å; E1210-L1213 PolarHBondContact O-N 3.42Å; E1210-W1214 VanDerWaalsContact O-CB 3.29Å; E1210-W1214 WeakPolarHBondContact O-CB 3.48Å; E1210-W1214 PolarHBondContact O-N 2.71Å
1211	I	63.5	Low	55.4	Low	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-40.3	174.4	-71.1	169.2	0	0	0	110.4	L1145 W1192 F1200 I1207 W1214 L1215 I1229	L1145-I1211 HydrophobicContact CD1-CG1 4.1Å; L1145-I1211 HydrophobicContact CD2-CG1 4.23Å; W1192-I1211 HydrophobicContact CH2-CG2 4.36Å; F1200-I1211 HydrophobicContact CD1-CD1 4.46Å; F1200-I1211 HydrophobicContact CE1-CD1 4.05Å; F1200-I1211 HydrophobicContact CE1-CG2 4.45Å; I1207-I1211 HydrophobicContact CG2-CD1 3.63Å; I1207-I1211 HydrophobicContact CG2-CG1 4.34Å; I1207-I1211 VanDerWaalsContact O-CB 3.31Å; I1207-I1211 WeakPolarHBondContact O-CB 3.05Å; I1207-I1211 WeakPolarHBondContact O-CG1 3.16Å; I1207-I1211 PolarHBondContact O-N 2.99Å; I1211-W1214 PolarHBondContact O-N 2.87Å; I1211-L1215 HydrophobicContact CG2-CD1 3.72Å; I1211-L1215 HydrophobicContact CG2-CG 4.39Å; I1211-L1215 WeakPolarHBondContact O-CB 3.32Å; I1211-L1215 WeakPolarHBondContact O-CD1 3.24Å; I1211-L1215 WeakPolarHBondContact O-CG 3.49Å; I1211-L1215 PolarHBondContact O-N 2.92Å; I1211-I1229 HydrophobicContact CD1-CD1 3.64Å; I1211-I1229 HydrophobicContact CG1-CD1 3.79Å; I1211-I1229 HydrophobicContact CG2-CD1 4.35Å
1212	S	59.8	Low	54.7	Low	6 Å²	6	54.8 Å²	54.8	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-49.4	177.4	-58.3	0	0	0	0	111.2	I1208 D1209 E1210 W1214 L1215 L1216	I1208-S1212 WeakPolarHBondContact O-CB 3.38Å; I1208-S1212 PolarHBondContact O-N 3.33Å; I1208-S1212 PolarHBondContact O-OG 3.26Å; D1209-S1212 PolarHBondContact O-N 3.45Å; E1210-S1212 VanDerWaalsContact C-N 3.29Å; E1210-S1212 PolarHBondContact O-N 2.93Å; S1212-W1214 PolarHBondContact O-N 2.72Å; S1212-L1215 PolarHBondContact O-N 2.03Å; S1212-L1216 VanDerWaalsContact O-CB 3.3Å; S1212-L1216 WeakPolarHBondContact O-CB 3.49Å; S1212-L1216 WeakPolarHBondContact O-CG 3.36Å; S1212-L1216 PolarHBondContact O-N 3.22Å
1213	L	55.9	Low	54	Low	90 Å²	90	52.6 Å²	52.6	47%	0.471	28%	0.282	S	S	.	.	H	α-helix	trans	-56.2	-37.7	174	-81.7	162.6	0	0	0	112.3	D1209 E1210 N1217	D1209-L1213 VanDerWaalsContact O-CB 3.31Å; D1209-L1213 WeakPolarHBondContact O-CB 3.32Å; D1209-L1213 WeakPolarHBondContact O-CG 3.46Å; D1209-L1213 PolarHBondContact O-N 3.28Å; E1210-L1213 PolarHBondContact O-N 3.42Å; L1213-N1217 PolarHBondContact O-N 2.64Å; L1213-N1217 VanDerWaalsContact O-N 3.12Å; L1213-N1217 PolarHBondContact O-ND2 2.75Å
1214	W	60.6	Low	53.2	Low	17 Å²	17	54.2 Å²	54.2	6%	0.064	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-57.1	173.1	172.5	55.9	0	0	0	111.7	P1121 T1132 L1145 E1210 I1211 S1212 L1216 N1217 H1218 A1227	P1121-W1214 VanDerWaalsContact CB-NE1 3.25Å; P1121-W1214 HydrophobicContact CG-CG 4.15Å; T1132-W1214 HydrophobicContact CG2-CD2 4.32Å; T1132-W1214 HydrophobicContact CG2-CH2 3.97Å; T1132-W1214 HydrophobicContact CG2-CZ2 3.48Å; T1132-W1214 VanDerWaalsContact CG2-CZ2 3.48Å; T1132-W1214 VanDerWaalsContact OG1-CH2 3.25Å; T1132-W1214 WeakPolarHBondContact OG1-CH2 3.34Å; T1132-W1214 WeakPolarHBondContact OG1-CZ3 3.36Å; L1145-W1214 HydrophobicContact CD1-CB 3.44Å; L1145-W1214 VanDerWaalsContact CD1-CB 3.44Å; L1145-W1214 HydrophobicContact CD1-CD2 4.2Å; L1145-W1214 HydrophobicContact CD1-CE3 4.33Å; L1145-W1214 HydrophobicContact CD1-CG 3.82Å; E1210-W1214 VanDerWaalsContact O-CB 3.29Å; E1210-W1214 WeakPolarHBondContact O-CB 3.48Å; E1210-W1214 PolarHBondContact O-N 2.71Å; I1211-W1214 PolarHBondContact O-N 2.87Å; S1212-W1214 PolarHBondContact O-N 2.72Å; W1214-L1216 VanDerWaalsContact C-N 3.26Å; W1214-L1216 PolarHBondContact O-N 3.44Å; W1214-N1217 PolarHBondContact O-N 3.03Å; W1214-N1217 VanDerWaalsContact O-N 3.11Å; W1214-H1218 AromaticContact CD1-CE1 3.26Å; W1214-H1218 AromaticContact CD1-CG 3.99Å; W1214-H1218 AromaticContact CD1-ND1 3.3Å; W1214-H1218 VanDerWaalsContact CD1-ND1 3.3Å; W1214-H1218 AromaticContact CD1-NE2 3.84Å; W1214-H1218 AromaticContact NE1-CD2 3.51Å; W1214-H1218 AromaticContact NE1-CE1 3.16Å; W1214-H1218 PolarHBondContact NE1-CE1 2.7Å; W1214-H1218 AromaticContact NE1-CG 3.54Å; W1214-H1218 AromaticContact NE1-ND1 3.28Å; W1214-H1218 PolarHBondContact NE1-ND1 3.49Å; W1214-H1218 AromaticContact NE1-NE2 3.23Å; W1214-H1218 PolarHBondContact NE1-NE2 3.12Å; W1214-H1218 PolarHBondContact O-N 2.71Å; W1214-H1218 VanDerWaalsContact O-N 3.11Å; W1214-H1218 PolarHBondContact O-ND1 3.26Å; W1214-A1227 HydrophobicContact CH2-CB 4Å; W1214-A1227 HydrophobicContact CZ3-CB 4.36Å
1215	L	59.7	Low	52.4	Low	2 Å²	2	51.3 Å²	51.3	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-57.4	-41.4	179.8	-66.4	162.8	0	0	0	110.9	I1160 L1162 F1190 W1192 I1211 S1212 N1217 H1218 T1219 A1227	I1160-L1215 HydrophobicContact CD1-CD1 4.16Å; I1160-L1215 HydrophobicContact CD1-CD2 4.16Å; I1160-L1215 HydrophobicContact CG2-CD2 4.44Å; L1162-L1215 HydrophobicContact CD2-CD2 3.89Å; F1190-L1215 HydrophobicContact CD2-CB 4.45Å; F1190-L1215 HydrophobicContact CE2-CB 3.5Å; F1190-L1215 VanDerWaalsContact CE2-CB 3.5Å; F1190-L1215 HydrophobicContact CZ-CB 3.67Å; W1192-L1215 HydrophobicContact CH2-CD1 3.37Å; W1192-L1215 HydrophobicContact CZ2-CD1 3.67Å; W1192-L1215 HydrophobicContact CZ3-CD1 4.32Å; I1211-L1215 HydrophobicContact CG2-CD1 3.72Å; I1211-L1215 HydrophobicContact CG2-CG 4.39Å; I1211-L1215 WeakPolarHBondContact O-CB 3.32Å; I1211-L1215 WeakPolarHBondContact O-CD1 3.24Å; I1211-L1215 WeakPolarHBondContact O-CG 3.49Å; I1211-L1215 PolarHBondContact O-N 2.92Å; S1212-L1215 PolarHBondContact O-N 2.03Å; L1215-N1217 PolarHBondContact O-N 3.04Å; L1215-H1218 CarbonylContact O-C 3.58Å; L1215-H1218 PolarHBondContact O-N 3.23Å; L1215-T1219 WeakPolarHBondContact O-CB 3.18Å; L1215-T1219 VanDerWaalsContact O-CG2 3.32Å; L1215-T1219 WeakPolarHBondContact O-CG2 3.35Å; L1215-T1219 PolarHBondContact O-N 2.78Å; L1215-T1219 PolarHBondContact O-OG1 3.13Å; L1215-T1219 VanDerWaalsContact O-OG1 3.05Å; L1215-A1227 HydrophobicContact CD2-CB 4.05Å
1216	L	53.3	Low	52.1	Low	34 Å²	34	50.8 Å²	50.8	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-41	177.1	-72.8	178.2	0	0	0	113	I1180 N1188 F1190 S1212 W1214 H1218	I1180-L1216 HydrophobicContact CD1-CD1 3.99Å; N1188-L1216 HydrophobicContact CB-CD1 4.11Å; N1188-L1216 HydrophobicContact CB-CD2 3.59Å; N1188-L1216 HydrophobicContact CB-CG 4.49Å; N1188-L1216 VanDerWaalsContact OD1-CD2 3.32Å; N1188-L1216 WeakPolarHBondContact OD1-CD2 3.37Å; F1190-L1216 HydrophobicContact CD2-CD2 4.08Å; F1190-L1216 HydrophobicContact CE2-CD2 3.41Å; F1190-L1216 VanDerWaalsContact CE2-CD2 3.41Å; F1190-L1216 HydrophobicContact CE2-CG 3.75Å; F1190-L1216 HydrophobicContact CZ-CD2 3.82Å; F1190-L1216 HydrophobicContact CZ-CG 4.42Å; S1212-L1216 VanDerWaalsContact O-CB 3.3Å; S1212-L1216 WeakPolarHBondContact O-CB 3.49Å; S1212-L1216 WeakPolarHBondContact O-CG 3.36Å; S1212-L1216 PolarHBondContact O-N 3.22Å; W1214-L1216 VanDerWaalsContact C-N 3.26Å; W1214-L1216 PolarHBondContact O-N 3.44Å; L1216-H1218 VanDerWaalsContact C-N 3.26Å; L1216-H1218 PolarHBondContact O-N 3.24Å
1217	N	50.4	Low	52.2	Low	112 Å²	112	47.7 Å²	47.7	60%	0.599	25%	0.251	S	S	*	.	H	α-helix	trans	-73	-17.7	175	-75.1	-53.2	0	0	0	113.2	L1213 W1214 L1215	L1213-N1217 PolarHBondContact O-N 2.64Å; L1213-N1217 VanDerWaalsContact O-N 3.12Å; L1213-N1217 PolarHBondContact O-ND2 2.75Å; W1214-N1217 PolarHBondContact O-N 3.03Å; W1214-N1217 VanDerWaalsContact O-N 3.11Å; L1215-N1217 PolarHBondContact O-N 3.04Å
1218	H	53.3	Low	52.5	Low	24 Å²	24	50 Å²	50	11%	0.111	26%	0.261	C	S	.	.	H	α-helix	trans	-103	-21.1	-177.7	-70.4	60.1	0	0	0	113.5	W1214 L1215 L1216 Q1220	W1214-H1218 AromaticContact CD1-CE1 3.26Å; W1214-H1218 AromaticContact CD1-CG 3.99Å; W1214-H1218 AromaticContact CD1-ND1 3.3Å; W1214-H1218 VanDerWaalsContact CD1-ND1 3.3Å; W1214-H1218 AromaticContact CD1-NE2 3.84Å; W1214-H1218 AromaticContact NE1-CD2 3.51Å; W1214-H1218 AromaticContact NE1-CE1 3.16Å; W1214-H1218 PolarHBondContact NE1-CE1 2.7Å; W1214-H1218 AromaticContact NE1-CG 3.54Å; W1214-H1218 AromaticContact NE1-ND1 3.28Å; W1214-H1218 PolarHBondContact NE1-ND1 3.49Å; W1214-H1218 AromaticContact NE1-NE2 3.23Å; W1214-H1218 PolarHBondContact NE1-NE2 3.12Å; W1214-H1218 PolarHBondContact O-N 2.71Å; W1214-H1218 VanDerWaalsContact O-N 3.11Å; W1214-H1218 PolarHBondContact O-ND1 3.26Å; L1215-H1218 CarbonylContact O-C 3.58Å; L1215-H1218 PolarHBondContact O-N 3.23Å; L1216-H1218 VanDerWaalsContact C-N 3.26Å; L1216-H1218 PolarHBondContact O-N 3.24Å; H1218-Q1220 PolarHBondContact O-N 3.33Å; H1218-Q1220 VanDerWaalsContact O-N 3.11Å
1219	T	45	Very low	52.9	Low	26 Å²	26	49.5 Å²	49.5	16%	0.16	26%	0.258	C	S	.	.			trans	-87	83.5	-179.7	55.5	0	0	0	0	112.6	L1162 F1190 L1215 P1221	L1162-T1219 HydrophobicContact CB-CG2 4.35Å; L1162-T1219 HydrophobicContact CD1-CG2 3.74Å; L1162-T1219 HydrophobicContact CD2-CG2 3.45Å; L1162-T1219 VanDerWaalsContact CD2-CG2 3.45Å; L1162-T1219 HydrophobicContact CG-CG2 4.04Å; F1190-T1219 HydrophobicContact CE1-CG2 3.72Å; F1190-T1219 HydrophobicContact CZ-CG2 3.71Å; F1190-T1219 WeakPolarHBondContact CZ-OG1 3.2Å; L1215-T1219 WeakPolarHBondContact O-CB 3.18Å; L1215-T1219 VanDerWaalsContact O-CG2 3.32Å; L1215-T1219 WeakPolarHBondContact O-CG2 3.35Å; L1215-T1219 PolarHBondContact O-N 2.78Å; L1215-T1219 PolarHBondContact O-OG1 3.13Å; L1215-T1219 VanDerWaalsContact O-OG1 3.05Å; T1219-P1221 WeakPolarHBondContact O-CD 3.5Å
1220	Q	42.4	Very low	53.6	Low	80 Å²	80	47.2 Å²	47.2	37%	0.374	25%	0.246	S	C	.	.			trans	-71.6	117.7	145	-65.3	-141.6	16	0	0	108.3	L1110 H1218 Q1222 L1223	L1110-Q1220 HydrophobicContact CD2-CG 4.46Å; H1218-Q1220 PolarHBondContact O-N 3.33Å; H1218-Q1220 VanDerWaalsContact O-N 3.11Å; Q1220-Q1222 PolarHBondContact O-N 3.17Å; Q1220-L1223 HydrophobicContact CB-CB 4.48Å; Q1220-L1223 HydrophobicContact CB-CD1 3.93Å; Q1220-L1223 HydrophobicContact CG-CD1 4.45Å; Q1220-L1223 PolarHBondContact O-N 3.13Å
1221	P	36.9	Very low	54	Low	103 Å²	103	45.5 Å²	45.5	67%	0.669	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	15.3	-168.6	-23.9	35.9	0	0	0	117.1	T1219	T1219-P1221 WeakPolarHBondContact O-CD 3.5Å
1222	Q	40.6	Very low	54.2	Low	159 Å²	159	48.9 Å²	48.9	74%	0.743	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.7	0.2	-178	-55.8	-168.7	23.8	0	0	113.5	L1101 Q1220	L1101-Q1222 VanDerWaalsContact CD2-OE1 3.31Å; Q1220-Q1222 PolarHBondContact O-N 3.17Å
1223	L	40	Very low	54.5	Low	72 Å²	72	50 Å²	50	38%	0.377	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-30.7	-172.6	-87.5	158	0	0	0	115.2	L1110 Q1220	L1110-L1223 HydrophobicContact CD1-CD1 4.16Å; L1110-L1223 HydrophobicContact CD2-CD1 3.51Å; Q1220-L1223 HydrophobicContact CB-CB 4.48Å; Q1220-L1223 HydrophobicContact CB-CD1 3.93Å; Q1220-L1223 HydrophobicContact CG-CD1 4.45Å; Q1220-L1223 PolarHBondContact O-N 3.13Å
1224	Y	41.9	Very low	55.1	Low	69 Å²	69	48 Å²	48	27%	0.271	26%	0.258	S	S	.	.			trans	-135.6	140.9	-174	-55.7	-69.6	0	0	0	112.6	P1087 F1128	P1087-Y1224 WeakPolarHBondContact CG-OH 3.02Å; F1128-Y1224 AromaticContact CD2-CE1 3.81Å; F1128-Y1224 HydrophobicContact CD2-CE1 3.81Å; F1128-Y1224 HydrophobicContact CD2-CE2 4.38Å; F1128-Y1224 AromaticContact CD2-CZ 3.66Å; F1128-Y1224 HydrophobicContact CE2-CD1 4.05Å; F1128-Y1224 AromaticContact CE2-CE1 3.43Å; F1128-Y1224 HydrophobicContact CE2-CE1 3.43Å; F1128-Y1224 VanDerWaalsContact CE2-CE1 3.43Å; F1128-Y1224 AromaticContact CE2-CZ 3.81Å; F1128-Y1224 HydrophobicContact CZ-CE1 4.34Å
1225	G	43.3	Very low	55.5	Low	16 Å²	16	55.7 Å²	55.7	17%	0.165	29%	0.294	C	S	.	.	S	Bend	trans	-106.4	-18.8	175	0	0	0	0	0	114.5	N1161 L1162 H1163	N1161-G1225 PolarHBondContact OD1-O 2.97Å; L1162-G1225 PolarHBondContact N-O 2.92Å; H1163-G1225 WeakPolarHBondContact NE2-CA 3.23Å
1226	L	49.5	Very low	56.1	Low	74 Å²	74	56.9 Å²	56.9	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.7	-172.9	-59	171.3	0	0	0	110.6	E556 V1159 I1160 N1161	E556-L1226 HydrophobicContact CG-CD1 3.86Å; E556-L1226 VanDerWaalsContact OE1-CD1 3.22Å; E556-L1226 WeakPolarHBondContact OE1-CD1 3.31Å; V1159-L1226 HydrophobicContact CG1-CB 3.95Å; V1159-L1226 HydrophobicContact CG1-CD1 4.31Å; V1159-L1226 HydrophobicContact CG1-CD2 3.95Å; V1159-L1226 HydrophobicContact CG1-CG 4.28Å; I1160-L1226 CarbonylContact O-C 3.52Å; I1160-L1226 VanDerWaalsContact O-CA 3.22Å; I1160-L1226 WeakPolarHBondContact O-CA 3.38Å; N1161-L1226 HydrophobicContact CB-CD2 4.34Å
1227	A	59.7	Low	56.9	Low	13 Å²	13	55.6 Å²	55.6	11%	0.107	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.6	170.4	0	0	0	0	0	111	V1159 I1160 L1162 W1214 L1215	V1159-A1227 WeakPolarHBondContact CA-O 3.21Å; I1160-A1227 HydrophobicContact CB-CB 4.3Å; I1160-A1227 PolarHBondContact N-O 2.97Å; I1160-A1227 PolarHBondContact O-N 3.41Å; L1162-A1227 HydrophobicContact CD1-CB 3.85Å; L1162-A1227 HydrophobicContact CG-CB 4.33Å; W1214-A1227 HydrophobicContact CH2-CB 4Å; W1214-A1227 HydrophobicContact CZ3-CB 4.36Å; L1215-A1227 HydrophobicContact CD2-CB 4.05Å
1228	Q	66.1	Low	57.7	Low	56 Å²	56	51.9 Å²	51.9	26%	0.262	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	-177.4	-58.9	-174.6	6.3	0	0	110.8	Q1131 T1132 Q1157	Q1131-Q1228 HydrophobicContact CG-CB 4.01Å; T1132-Q1228 PolarHBondContact N-O 3.2Å; Q1157-Q1228 VanDerWaalsContact NE2-CD 3.28Å; Q1157-Q1228 VanDerWaalsContact NE2-OE1 3.1Å
1229	I	71.1	Confident	57.8	Low	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141	-179.3	-171.1	168.3	0	0	0	110.9	T1132 L1145 H1158 I1160 I1211 L1231	T1132-I1229 CarbonylContact O-C 3.5Å; T1132-I1229 WeakPolarHBondContact O-CA 3.49Å; L1145-I1229 HydrophobicContact CD2-CD1 4.19Å; H1158-I1229 HydrophobicContact CB-CG2 3.95Å; H1158-I1229 PolarHBondContact N-O 3.14Å; H1158-I1229 PolarHBondContact O-N 3.06Å; I1160-I1229 HydrophobicContact CD1-CB 4.48Å; I1160-I1229 HydrophobicContact CD1-CG2 3.79Å; I1160-I1229 HydrophobicContact CG1-CG2 4.1Å; I1211-I1229 HydrophobicContact CD1-CD1 3.64Å; I1211-I1229 HydrophobicContact CG1-CD1 3.79Å; I1211-I1229 HydrophobicContact CG2-CD1 4.35Å; I1229-L1231 HydrophobicContact CD1-CD2 3.94Å; I1229-L1231 HydrophobicContact CG1-CD2 3.91Å; I1229-L1231 HydrophobicContact CG2-CD1 4.32Å; I1229-L1231 HydrophobicContact CG2-CD2 4.16Å; I1229-L1231 HydrophobicContact CG2-CG 4.07Å
1230	C	72.9	Confident	58	Low	1 Å²	1	56 Å²	56	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.2	178.6	-51.7	0	0	0	0	110.1	T1132 V1133 C1151 Y1156	T1132-C1230 PolarHBondContact O-N 2.94Å; V1133-C1230 HydrophobicContact CB-CB 4.1Å; V1133-C1230 HydrophobicContact CG2-CB 4Å; C1151-C1230 WeakPolarHBondContact CA-SG 3.3Å; C1151-C1230 HydrophobicContact CB-CB 3.67Å; C1151-C1230 WeakPolarHBondContact CB-SG 3.3Å; C1151-C1230 WeakPolarHBondContact SG-CB 3.4Å; C1151-C1230 CovalentContact SG-SG 2.04Å; C1151-C1230 PolarHBondContact SG-SG 2.89Å; Y1156-C1230 CarbonylContact O-C 3.54Å; Y1156-C1230 WeakPolarHBondContact O-CA 3.41Å
1231	L	69.1	Low	57.7	Low	1 Å²	1	59.3 Å²	59.3	1%	0.005	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.6	-173	-61.8	-177	0	0	0	112.2	T1155 Y1156 H1158 L1199 F1200 F1203 I1229	T1155-L1231 CarbonylContact C-O 3.53Å; T1155-L1231 WeakPolarHBondContact CA-O 3.33Å; T1155-L1231 VanDerWaalsContact CB-O 3.22Å; T1155-L1231 WeakPolarHBondContact CB-O 3.47Å; Y1156-L1231 HydrophobicContact CD1-CB 4.48Å; Y1156-L1231 VanDerWaalsContact CD1-O 3.26Å; Y1156-L1231 WeakPolarHBondContact CD1-O 3.38Å; Y1156-L1231 HydrophobicContact CE1-CB 3.88Å; Y1156-L1231 HydrophobicContact CE2-CB 3.93Å; Y1156-L1231 HydrophobicContact CE2-CD1 4.13Å; Y1156-L1231 HydrophobicContact CE2-CG 4.47Å; Y1156-L1231 PolarHBondContact N-O 3.49Å; Y1156-L1231 PolarHBondContact O-N 2.8Å; H1158-L1231 HydrophobicContact CB-CD1 3.7Å; H1158-L1231 HydrophobicContact CB-CG 4.18Å; L1199-L1231 HydrophobicContact CD2-CD1 3.63Å; L1199-L1231 HydrophobicContact CG-CD1 4.39Å; F1200-L1231 HydrophobicContact CE1-CD1 4.22Å; F1200-L1231 HydrophobicContact CE1-CD2 4.42Å; F1200-L1231 HydrophobicContact CZ-CD1 4.27Å; F1203-L1231 HydrophobicContact CE1-CD2 4.08Å; F1203-L1231 HydrophobicContact CE2-CD1 4.49Å; F1203-L1231 HydrophobicContact CZ-CB 4.2Å; F1203-L1231 HydrophobicContact CZ-CD1 4.17Å; F1203-L1231 HydrophobicContact CZ-CD2 3.86Å; F1203-L1231 HydrophobicContact CZ-CG 4.3Å; I1229-L1231 HydrophobicContact CD1-CD2 3.94Å; I1229-L1231 HydrophobicContact CG1-CD2 3.91Å; I1229-L1231 HydrophobicContact CG2-CD1 4.32Å; I1229-L1231 HydrophobicContact CG2-CD2 4.16Å; I1229-L1231 HydrophobicContact CG2-CG 4.07Å
1232	P	65.9	Low	57.5	Low	71 Å²	71	61 Å²	61	46%	0.461	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.3	177.8	-17.8	31.1	0	0	0	112.3	Y1156	Y1156-P1232 VanDerWaalsContact CE1-O 3.29Å; Y1156-P1232 WeakPolarHBondContact CE1-O 3.4Å
1233	C	67.3	Low	56.9	Low	31 Å²	31	57.8 Å²	57.8	21%	0.209	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-65.5	149.6	175.4	-63.7	0	0	0	0	113	G1154 C1257	G1154-C1233 PolarHBondContact O-N 3.43Å; C1233-C1257 HydrophobicContact CB-CB 3.68Å; C1233-C1257 WeakPolarHBondContact CB-SG 3.5Å; C1233-C1257 WeakPolarHBondContact SG-CB 3.37Å; C1233-C1257 CovalentContact SG-SG 2.03Å; C1233-C1257 PolarHBondContact SG-SG 3.14Å
1234	N	68.8	Low	56.3	Low	48 Å²	48	59 Å²	59	26%	0.257	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-72.9	132.9	176.6	-171.6	-87.9	0	0	0	112.3	Q1236 C1237	N1234-Q1236 PolarHBondContact O-N 3.36Å; N1234-Q1236 VanDerWaalsContact O-N 3.1Å; N1234-Q1236 WeakPolarHBondContact OD1-CB 3.37Å; N1234-Q1236 PolarHBondContact OD1-N 2.03Å; N1234-C1237 WeakPolarHBondContact O-CB 3.45Å; N1234-C1237 PolarHBondContact O-N 3.38Å
1235	E	67.5	Low	55.7	Low	177 Å²	177	66.8 Å²	66.8	83%	0.827	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.6	-178.3	-59.5	177.2	-173.1	0	0	115	C1237	E1235-C1237 VanDerWaalsContact C-N 3.34Å
1236	Q	74	Confident	55.2	Low	28 Å²	28	75.1 Å²	75.1	13%	0.131	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9	177.9	-64.5	-60.9	-58.4	0	0	113.2	N1234 C1268 A1269 C1277 S1279	N1234-Q1236 PolarHBondContact O-N 3.36Å; N1234-Q1236 VanDerWaalsContact O-N 3.1Å; N1234-Q1236 WeakPolarHBondContact OD1-CB 3.37Å; N1234-Q1236 PolarHBondContact OD1-N 2.03Å; Q1236-C1268 CarbonylContact O-C 3.53Å; Q1236-C1268 WeakPolarHBondContact O-CA 3.43Å; Q1236-A1269 PolarHBondContact O-N 2.93Å; Q1236-C1277 HydrophobicContact CB-CB 3.99Å; Q1236-S1279 VanDerWaalsContact OE1-CA 3.22Å
1237	C	69.8	Low	54.1	Low	6 Å²	6	76.2 Å²	76.2	4%	0.041	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-89.1	126.7	172.7	-65.5	0	0	0	0	110.5	N1234 E1235 S1239 G1259 C1265	N1234-C1237 WeakPolarHBondContact O-CB 3.45Å; N1234-C1237 PolarHBondContact O-N 3.38Å; E1235-C1237 VanDerWaalsContact C-N 3.34Å; C1237-S1239 PolarHBondContact O-N 3.06Å; C1237-G1259 PolarHBondContact SG-O 3.45Å; C1237-G1259 VanDerWaalsContact SG-O 3.4Å; C1237-C1265 WeakPolarHBondContact CA-SG 3.48Å; C1237-C1265 HydrophobicContact CB-CB 4.49Å; C1237-C1265 WeakPolarHBondContact CB-SG 3.1Å; C1237-C1265 WeakPolarHBondContact SG-CB 3.41Å; C1237-C1265 CovalentContact SG-SG 2.04Å; C1237-C1265 PolarHBondContact SG-SG 3.28Å
1238	H	65.8	Low	52.5	Low	34 Å²	34	80.6 Å²	80.6	16%	0.157	43%	0.434	C	S	.	.			trans	-63	126.2	-176.8	-164.9	53.7	0	0	0	110.5	Y1258 R1267	H1238-Y1258 HydrophobicContact CB-CD2 4.3Å; H1238-Y1258 VanDerWaalsContact O-CD2 3.27Å; H1238-Y1258 WeakPolarHBondContact O-CD2 3.5Å; H1238-R1267 HydrophobicContact CB-CB 4.37Å; H1238-R1267 HydrophobicContact CB-CG 4.03Å; H1238-R1267 WeakPolarHBondContact CB-O 3.2Å; H1238-R1267 VanDerWaalsContact CD2-CZ 3.49Å; H1238-R1267 PolarHBondContact CD2-NE 3.35Å; H1238-R1267 PolarHBondContact N-O 3.44Å
1239	S	55.4	Low	50.6	Low	58 Å²	58	85.8 Å²	85.8	41%	0.406	46%	0.462	S	S	.	.			trans	-113.3	140.1	166	58.5	0	0	0	0	108.4	C1237 I1241	C1237-S1239 PolarHBondContact O-N 3.06Å; S1239-I1241 PolarHBondContact O-N 2.96Å
1240	E	50.4	Low	48.6	Very low	79 Å²	79	94.1 Å²	94.1	37%	0.369	51%	0.505	S	S	.	.			trans	-75.4	97.7	177.7	-65.4	-165.8	150.9	0	0	110.5	I1242	E1240-I1242 PolarHBondContact O-N 3.4Å
1241	I	35.6	Very low	46.3	Very low	150 Å²	150	97 Å²	97	77%	0.769	54%	0.535	S	S	*	.			trans	-76.4	89.4	177.3	-56	175.8	0	0	0	108.9	S1239 S1243	S1239-I1241 PolarHBondContact O-N 2.96Å; I1241-S1243 PolarHBondContact O-N 3.49Å
1242	I	31.9	Very low	44.2	Very low	138 Å²	138	102.6 Å²	102.6	71%	0.708	58%	0.575	S	S	*	*			trans	-80.5	111.7	158.9	-61.6	-177.7	0	0	0	107.7	E1240	E1240-I1242 PolarHBondContact O-N 3.4Å
1243	S	29.4	Very low	42.6	Very low	92 Å²	92	103.1 Å²	103.1	64%	0.643	58%	0.58	S	S	*	*			trans	-81.2	123.2	-174.8	57.8	0	0	0	0	113.2	I1241	I1241-S1243 PolarHBondContact O-N 3.49Å
1244	S	27.6	Very low	41.1	Very low	97 Å²	97	109.3 Å²	109.3	68%	0.678	61%	0.611	S	S	*	*	S	Bend	trans	67.9	125.4	150.8	73	0	0	0	0	120.4
1245	R	28	Very low	40	Very low	233 Å²	233	112 Å²	112	88%	0.879	63%	0.629	S	S	*	*			trans	74.6	151.3	161	-57.2	174.4	174.7	-177.7	-2.7	116.5
1246	Q	33.6	Very low	39.2	Very low	190 Å²	190	107.4 Å²	107.4	89%	0.888	62%	0.621	S	S	*	*			trans	66.2	153.4	-177.5	-60.7	176.1	-28.2	0	0	114.9
1247	S	26.8	Very low	38.4	Very low	97 Å²	97	107.3 Å²	107.3	68%	0.678	62%	0.623	S	S	*	*			cis	-171.2	138.7	-48.3	43.2	0	0	0	0	108.4
1248	S	26.7	Very low	38.2	Very low	105 Å²	105	111.6 Å²	111.6	73%	0.734	64%	0.639	S	S	*	*			trans	2.4	139.2	162.7	56.6	0	0	0	0	120.9
1249	L	25.8	Very low	38	Very low	165 Å²	165	110.1 Å²	110.1	86%	0.864	63%	0.633	S	S	*	*			trans	95.5	157.2	171.9	-61.3	151.4	0	0	0	115.4
1250	I	28.5	Very low	38.4	Very low	175 Å²	175	108.9 Å²	108.9	90%	0.897	62%	0.623	S	S	*	*			trans	72.3	139.7	-172.3	-49.3	171.9	0	0	0	112.7
1251	G	25.2	Very low	38.8	Very low	61 Å²	61	105.5 Å²	105.5	63%	0.629	61%	0.609	S	S	*	*			trans	-118.3	-161.7	176.4	0	0	0	0	0	112.3
1252	S	24	Very low	40.2	Very low	120 Å²	120	99.6 Å²	99.6	84%	0.839	58%	0.58	S	S	*	*			trans	85.5	162.6	-174.7	-158.3	0	0	0	0	116.2
1253	S	31.9	Very low	41.6	Very low	81 Å²	81	96.6 Å²	96.6	57%	0.566	56%	0.563	S	S	*	*			trans	55	93.9	160.3	50.5	0	0	0	0	119.7
1254	N	37	Very low	43.2	Very low	162 Å²	162	96.3 Å²	96.3	87%	0.866	55%	0.552	S	S	*	*				35.2	90	112	-55.1	-6.4	0	0	0	117.5
1255	V	44.7	Very low	45.3	Very low	104 Å²	104	92.3 Å²	92.3	63%	0.63	52%	0.523	S	S	*	.			trans	-113.6	77.5	154.8	-174.8	0	0	0	0	108.1
1256	A	51.7	Low	47.2	Very low	80 Å²	80	86.7 Å²	86.7	66%	0.661	52%	0.515	S	S	*	.			trans	-80.6	134.5	175	0	0	0	0	0	110
1257	C	57.5	Low	48.9	Very low	27 Å²	27	81.5 Å²	81.5	18%	0.182	49%	0.487	C	S	.	.			trans	-60	138.9	169.7	-53.8	0	0	0	0	109.6	C1233 G1259	C1233-C1257 HydrophobicContact CB-CB 3.68Å; C1233-C1257 WeakPolarHBondContact CB-SG 3.5Å; C1233-C1257 WeakPolarHBondContact SG-CB 3.37Å; C1233-C1257 CovalentContact SG-SG 2.03Å; C1233-C1257 PolarHBondContact SG-SG 3.14Å; C1257-G1259 PolarHBondContact O-N 2.79Å
1258	Y	65.2	Low	51.2	Low	96 Å²	96	77.5 Å²	77.5	38%	0.376	46%	0.459	S	S	.	.	S	Bend	trans	-66.7	6.8	-177.1	-67.8	-67.6	0	0	0	114.8	H1238 C1265 V1266 R1267	H1238-Y1258 HydrophobicContact CB-CD2 4.3Å; H1238-Y1258 VanDerWaalsContact O-CD2 3.27Å; H1238-Y1258 WeakPolarHBondContact O-CD2 3.5Å; Y1258-C1265 CarbonylContact O-C 3.6Å; Y1258-V1266 PolarHBondContact O-N 3.19Å; Y1258-R1267 HydrophobicContact CD2-CB 4.12Å; Y1258-R1267 HydrophobicContact CG-CB 4.06Å
1259	G	61.9	Low	53.4	Low	3 Å²	3	73.7 Å²	73.7	3%	0.031	43%	0.434	C	S	.	.			trans	-171.9	145.7	160.3	0	0	0	0	0	111.8	C1237 C1257 Q1264	C1237-G1259 PolarHBondContact SG-O 3.45Å; C1237-G1259 VanDerWaalsContact SG-O 3.4Å; C1257-G1259 PolarHBondContact O-N 2.79Å; G1259-Q1264 VanDerWaalsContact CA-O 3.29Å; G1259-Q1264 WeakPolarHBondContact CA-O 3.15Å
1260	P	62.8	Low	55.8	Low	31 Å²	31	72.6 Å²	72.6	20%	0.201	42%	0.419	C	S	.	.	S	Bend	trans	-72.9	-32	171.3	28.1	-35.7	0	0	0	113.3	Y1156 Q1264	Y1156-P1260 HydrophobicContact CD1-CB 3.81Å; Y1156-P1260 HydrophobicContact CD2-CB 3.49Å; Y1156-P1260 VanDerWaalsContact CD2-CB 3.49Å; Y1156-P1260 HydrophobicContact CE1-CB 3.55Å; Y1156-P1260 WeakPolarHBondContact CE1-O 3.15Å; Y1156-P1260 HydrophobicContact CE2-CB 3.21Å; Y1156-P1260 HydrophobicContact CE2-CG 4.45Å; Y1156-P1260 HydrophobicContact CG-CB 3.78Å; Y1156-P1260 PolarHBondContact OH-O 2.64Å; P1260-Q1264 HydrophobicContact CG-CB 3.77Å; P1260-Q1264 HydrophobicContact CG-CG 4.33Å
1261	S	59.8	Low	58.1	Low	8 Å²	8	64.5 Å²	64.5	6%	0.056	38%	0.379	C	S	.	.	S	Bend	trans	-133.3	162.7	-175.3	70.3	0	0	0	0	110	E1263 Q1264 C1265	S1261-E1263 PolarHBondContact O-N 3.41Å; S1261-E1263 VanDerWaalsContact O-N 3.09Å; S1261-E1263 PolarHBondContact OG-N 2.92Å; S1261-Q1264 PolarHBondContact O-N 3.38Å; S1261-Q1264 PolarHBondContact OG-N 2.72Å; S1261-Q1264 PolarHBondContact OG-OE1 3.22Å; S1261-C1265 WeakPolarHBondContact O-CB 3.21Å; S1261-C1265 PolarHBondContact O-N 2.76Å
1262	P	64	Low	60.8	Low	27 Å²	27	61.9 Å²	61.9	18%	0.175	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.2	174.4	-26.5	35.8	0	0	0	114	C1265 R1276 C1277	P1262-C1265 WeakPolarHBondContact O-CB 3.28Å; P1262-R1276 CarbonylContact O-C 3.53Å; P1262-R1276 VanDerWaalsContact O-CA 3.29Å; P1262-R1276 WeakPolarHBondContact O-CA 3.04Å; P1262-C1277 PolarHBondContact O-N 2.97Å
1263	E	62	Low	63.4	Low	75 Å²	75	58.6 Å²	58.6	35%	0.35	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-28.3	-176.8	-75.2	133.5	-132.5	0	0	113.8	N1198 S1261 C1265 R1276	N1198-E1263 PolarHBondContact ND2-OE2 2.61Å; S1261-E1263 PolarHBondContact O-N 3.41Å; S1261-E1263 VanDerWaalsContact O-N 3.09Å; S1261-E1263 PolarHBondContact OG-N 2.92Å; E1263-C1265 VanDerWaalsContact C-N 3.31Å; E1263-R1276 HydrophobicContact CG-CB 4.35Å; E1263-R1276 VanDerWaalsContact CG-CD 3.48Å; E1263-R1276 HydrophobicContact CG-CG 3.6Å; E1263-R1276 IonicContact OE1-CZ 2.64Å; E1263-R1276 IonicContact OE1-NE 3.91Å; E1263-R1276 IonicContact OE1-NH1 2.71Å; E1263-R1276 PolarHBondContact OE1-NH1 3.18Å; E1263-R1276 IonicContact OE2-NH1 2.64Å
1264	Q	62.9	Low	65.3	Low	86 Å²	86	61.5 Å²	61.5	40%	0.402	33%	0.325	S	S	.	.	S	Bend	trans	-98.5	17.5	178.5	-66.1	159.1	-79.2	0	0	111.6	G1259 P1260 S1261 V1266	G1259-Q1264 VanDerWaalsContact CA-O 3.29Å; G1259-Q1264 WeakPolarHBondContact CA-O 3.15Å; P1260-Q1264 HydrophobicContact CG-CB 3.77Å; P1260-Q1264 HydrophobicContact CG-CG 4.33Å; S1261-Q1264 PolarHBondContact O-N 3.38Å; S1261-Q1264 PolarHBondContact OG-N 2.72Å; S1261-Q1264 PolarHBondContact OG-OE1 3.22Å; Q1264-V1266 PolarHBondContact O-N 3.11Å
1265	C	70.5	Confident	66.8	Low	12 Å²	12	56.6 Å²	56.6	8%	0.081	31%	0.312	C	S	.	.			trans	-94.8	99.9	-168	-157.9	0	0	0	0	112.8	C1237 Y1258 S1261 P1262 E1263 R1267 C1277	C1237-C1265 WeakPolarHBondContact CA-SG 3.48Å; C1237-C1265 HydrophobicContact CB-CB 4.49Å; C1237-C1265 WeakPolarHBondContact CB-SG 3.1Å; C1237-C1265 WeakPolarHBondContact SG-CB 3.41Å; C1237-C1265 CovalentContact SG-SG 2.04Å; C1237-C1265 PolarHBondContact SG-SG 3.28Å; Y1258-C1265 CarbonylContact O-C 3.6Å; S1261-C1265 WeakPolarHBondContact O-CB 3.21Å; S1261-C1265 PolarHBondContact O-N 2.76Å; P1262-C1265 WeakPolarHBondContact O-CB 3.28Å; E1263-C1265 VanDerWaalsContact C-N 3.31Å; C1265-R1267 VanDerWaalsContact C-N 3.25Å; C1265-R1267 PolarHBondContact O-N 3.37Å; C1265-C1277 HydrophobicContact CB-CB 4.28Å; C1265-C1277 WeakPolarHBondContact CB-SG 3.26Å; C1265-C1277 PolarHBondContact SG-SG 2.92Å
1266	V	67.6	Low	68	Low	116 Å²	116	57.1 Å²	57.1	70%	0.703	30%	0.303	S	S	*	.	S	Bend	trans	-66.4	-27.1	-179.2	-171.1	0	0	0	0	111.8	Y1258 Q1264	Y1258-V1266 PolarHBondContact O-N 3.19Å; Q1264-V1266 PolarHBondContact O-N 3.11Å
1267	R	70.1	Confident	69.3	Low	80 Å²	80	53.6 Å²	53.6	30%	0.302	27%	0.273	S	S	.	.	S	Bend	trans	-139	98.7	-177.3	-167.3	172.4	179.3	-171.4	-2.7	112.5	H1238 Y1258 C1265	H1238-R1267 HydrophobicContact CB-CB 4.37Å; H1238-R1267 HydrophobicContact CB-CG 4.03Å; H1238-R1267 WeakPolarHBondContact CB-O 3.2Å; H1238-R1267 VanDerWaalsContact CD2-CZ 3.49Å; H1238-R1267 PolarHBondContact CD2-NE 3.35Å; H1238-R1267 PolarHBondContact N-O 3.44Å; Y1258-R1267 HydrophobicContact CD2-CB 4.12Å; Y1258-R1267 HydrophobicContact CG-CB 4.06Å; C1265-R1267 VanDerWaalsContact C-N 3.25Å; C1265-R1267 PolarHBondContact O-N 3.37Å
1268	C	74.2	Confident	70.1	Confident	13 Å²	13	54 Å²	54	9%	0.088	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-71.8	144.9	175	-48.7	0	0	0	0	112.6	Q1236 A1271 C1277	Q1236-C1268 CarbonylContact O-C 3.53Å; Q1236-C1268 WeakPolarHBondContact O-CA 3.43Å; C1268-A1271 WeakPolarHBondContact CB-O 3.25Å; C1268-A1271 PolarHBondContact SG-O 3.36Å; C1268-C1277 WeakPolarHBondContact CA-SG 3.18Å; C1268-C1277 HydrophobicContact CB-CB 3.69Å; C1268-C1277 WeakPolarHBondContact CB-SG 3.47Å; C1268-C1277 WeakPolarHBondContact SG-CA 3.48Å; C1268-C1277 WeakPolarHBondContact SG-CB 3.02Å; C1268-C1277 CovalentContact SG-SG 2.02Å; C1268-C1277 PolarHBondContact SG-SG 3.31Å
1269	A	73	Confident	70.5	Confident	25 Å²	25	52.9 Å²	52.9	21%	0.207	28%	0.281	C	S	.	.	S	Bend	trans	-72.3	-36.1	172.4	0	0	0	0	0	113.5	Q1236	Q1236-A1269 PolarHBondContact O-N 2.93Å
1270	Y	77	Confident	71.2	Confident	143 Å²	143	57.6 Å²	57.6	56%	0.561	31%	0.309	S	S	*	.	S	Bend	trans	-125.8	-72.2	-173.5	-63.4	-88.2	0	0	0	113.6	S1314 F1315	Y1270-S1314 WeakPolarHBondContact O-CA 3.47Å; Y1270-F1315 PolarHBondContact O-N 2.7Å; Y1270-F1315 VanDerWaalsContact O-N 3.13Å
1271	A	77.3	Confident	71.9	Confident	5 Å²	5	57.7 Å²	57.7	4%	0.041	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	170.8	-176.6	0	0	0	0	0	112.5	C1268 C1277 V1278 F1315	C1268-A1271 WeakPolarHBondContact CB-O 3.25Å; C1268-A1271 PolarHBondContact SG-O 3.36Å; A1271-C1277 WeakPolarHBondContact O-CA 3.35Å; A1271-V1278 CarbonylContact C-O 3.45Å; A1271-V1278 WeakPolarHBondContact CA-O 3.48Å; A1271-V1278 HydrophobicContact CB-CG2 3.96Å; A1271-V1278 WeakPolarHBondContact CB-O 3.41Å; A1271-V1278 PolarHBondContact N-O 3.5Å; A1271-V1278 PolarHBondContact O-N 2.9Å; A1271-F1315 CarbonylContact C-O 3.49Å; A1271-F1315 WeakPolarHBondContact CA-O 3.5Å; A1271-F1315 HydrophobicContact CB-CB 3.97Å
1272	S	81.1	Confident	72.4	Confident	5 Å²	5	59.5 Å²	59.5	4%	0.035	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.5	178.2	53.1	0	0	0	0	111.9	R1276 K1290 F1315 E1316 C1317	S1272-R1276 CarbonylContact C-O 3.45Å; S1272-R1276 WeakPolarHBondContact CA-O 3.36Å; S1272-K1290 PolarHBondContact OG-NZ 3.43Å; S1272-F1315 PolarHBondContact N-O 2.85Å; S1272-F1315 PolarHBondContact OG-O 3.08Å; S1272-E1316 CarbonylContact O-C 3.55Å; S1272-E1316 WeakPolarHBondContact O-CA 3.28Å; S1272-C1317 PolarHBondContact O-N 3.39Å
1273	Y	78.9	Confident	72.6	Confident	51 Å²	51	63.6 Å²	63.6	20%	0.2	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.8	176.3	179.4	-121.9	0	0	0	110	G1275 R1276 P1282 T1285 C1317	Y1273-G1275 PolarHBondContact O-N 3.42Å; Y1273-G1275 VanDerWaalsContact O-N 3.08Å; Y1273-R1276 PolarHBondContact N-O 3.21Å; Y1273-R1276 PolarHBondContact O-N 3.29Å; Y1273-P1282 HydrophobicContact CD1-CG 3.49Å; Y1273-P1282 VanDerWaalsContact CD1-CG 3.49Å; Y1273-P1282 HydrophobicContact CD2-CG 4.33Å; Y1273-P1282 HydrophobicContact CE1-CG 3.85Å; Y1273-P1282 HydrophobicContact CG-CG 3.73Å; Y1273-T1285 HydrophobicContact CD2-CG2 3.9Å; Y1273-T1285 HydrophobicContact CE1-CG2 4.4Å; Y1273-T1285 HydrophobicContact CE2-CG2 3.33Å; Y1273-C1317 HydrophobicContact CD2-CB 3.78Å; Y1273-C1317 WeakPolarHBondContact CD2-O 3.24Å; Y1273-C1317 HydrophobicContact CG-CB 4.24Å
1274	Q	72.4	Confident	72.8	Confident	143 Å²	143	60.9 Å²	60.9	67%	0.668	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	38	-179.2	-63.1	179.9	-11.3	0	0	113.6	R1276	Q1274-R1276 VanDerWaalsContact C-N 3.3Å; Q1274-R1276 PolarHBondContact O-N 2.92Å
1275	G	68.6	Low	73.5	Confident	58 Å²	58	57.4 Å²	57.4	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-14	-177.3	0	0	0	0	0	115.7	Y1273	Y1273-G1275 PolarHBondContact O-N 3.42Å; Y1273-G1275 VanDerWaalsContact O-N 3.08Å
1276	R	70.3	Confident	73.8	Confident	116 Å²	116	59.1 Å²	59.1	44%	0.438	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.3	179.7	-44.1	-169.7	-178.1	-159.1	8.3	111.5	P1262 E1263 S1272 Y1273 Q1274	P1262-R1276 CarbonylContact O-C 3.53Å; P1262-R1276 VanDerWaalsContact O-CA 3.29Å; P1262-R1276 WeakPolarHBondContact O-CA 3.04Å; E1263-R1276 HydrophobicContact CG-CB 4.35Å; E1263-R1276 VanDerWaalsContact CG-CD 3.48Å; E1263-R1276 HydrophobicContact CG-CG 3.6Å; E1263-R1276 IonicContact OE1-CZ 2.64Å; E1263-R1276 IonicContact OE1-NE 3.91Å; E1263-R1276 IonicContact OE1-NH1 2.71Å; E1263-R1276 PolarHBondContact OE1-NH1 3.18Å; E1263-R1276 IonicContact OE2-NH1 2.64Å; S1272-R1276 CarbonylContact C-O 3.45Å; S1272-R1276 WeakPolarHBondContact CA-O 3.36Å; Y1273-R1276 PolarHBondContact N-O 3.21Å; Y1273-R1276 PolarHBondContact O-N 3.29Å; Q1274-R1276 VanDerWaalsContact C-N 3.3Å; Q1274-R1276 PolarHBondContact O-N 2.92Å
1277	C	78.8	Confident	74.1	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.034	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	138.1	172.4	-62.7	0	0	0	0	112.1	Q1236 P1262 C1265 C1268 A1271	Q1236-C1277 HydrophobicContact CB-CB 3.99Å; P1262-C1277 PolarHBondContact O-N 2.97Å; C1265-C1277 HydrophobicContact CB-CB 4.28Å; C1265-C1277 WeakPolarHBondContact CB-SG 3.26Å; C1265-C1277 PolarHBondContact SG-SG 2.92Å; C1268-C1277 WeakPolarHBondContact CA-SG 3.18Å; C1268-C1277 HydrophobicContact CB-CB 3.69Å; C1268-C1277 WeakPolarHBondContact CB-SG 3.47Å; C1268-C1277 WeakPolarHBondContact SG-CA 3.48Å; C1268-C1277 WeakPolarHBondContact SG-CB 3.02Å; C1268-C1277 CovalentContact SG-SG 2.02Å; C1268-C1277 PolarHBondContact SG-SG 3.31Å; A1271-C1277 WeakPolarHBondContact O-CA 3.35Å
1278	V	74.2	Confident	74.3	Confident	35 Å²	35	58.4 Å²	58.4	21%	0.212	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.4	-178.2	-66.3	0	0	0	0	110.2	A1271 T1280	A1271-V1278 CarbonylContact C-O 3.45Å; A1271-V1278 WeakPolarHBondContact CA-O 3.48Å; A1271-V1278 HydrophobicContact CB-CG2 3.96Å; A1271-V1278 WeakPolarHBondContact CB-O 3.41Å; A1271-V1278 PolarHBondContact N-O 3.5Å; A1271-V1278 PolarHBondContact O-N 2.9Å; V1278-T1280 VanDerWaalsContact C-N 3.31Å; V1278-T1280 WeakPolarHBondContact CB-O 3.05Å; V1278-T1280 WeakPolarHBondContact CG2-O 3.31Å
1279	S	72.5	Confident	74.1	Confident	73 Å²	73	64.6 Å²	64.6	51%	0.51	36%	0.356	S	S	.	.	S	Bend	trans	-69.5	-30.1	178.6	53.2	0	0	0	0	112.8	Q1236	Q1236-S1279 VanDerWaalsContact OE1-CA 3.22Å
1280	T	77.5	Confident	73.3	Confident	102 Å²	102	68 Å²	68	63%	0.626	37%	0.367	S	S	*	.	S	Bend	trans	-142.5	155.6	174.5	52	0	0	0	0	109.2	V1278	V1278-T1280 VanDerWaalsContact C-N 3.31Å; V1278-T1280 WeakPolarHBondContact CB-O 3.05Å; V1278-T1280 WeakPolarHBondContact CG2-O 3.31Å
1281	C	78	Confident	71.9	Confident	34 Å²	34	65.9 Å²	65.9	23%	0.23	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.6	131.4	173.8	-72.1	0	0	0	0	110.3	T1285 C1317	C1281-T1285 WeakPolarHBondContact CB-OG1 3.16Å; C1281-C1317 WeakPolarHBondContact CA-SG 3.05Å; C1281-C1317 HydrophobicContact CB-CB 3.71Å; C1281-C1317 WeakPolarHBondContact CB-SG 3.45Å; C1281-C1317 WeakPolarHBondContact SG-CB 3.25Å; C1281-C1317 CovalentContact SG-SG 2.04Å; C1281-C1317 PolarHBondContact SG-SG 3.43Å
1282	P	69.6	Low	70	Confident	45 Å²	45	73.3 Å²	73.3	29%	0.292	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-67.7	159.1	-176.2	24.8	-31.2	0	0	0	112.5	Y1273 T1285	Y1273-P1282 HydrophobicContact CD1-CG 3.49Å; Y1273-P1282 VanDerWaalsContact CD1-CG 3.49Å; Y1273-P1282 HydrophobicContact CD2-CG 4.33Å; Y1273-P1282 HydrophobicContact CE1-CG 3.85Å; Y1273-P1282 HydrophobicContact CG-CG 3.73Å; P1282-T1285 WeakPolarHBondContact CD-OG1 3.18Å; P1282-T1285 HydrophobicContact CG-CG2 3.96Å; P1282-T1285 WeakPolarHBondContact O-CB 3.25Å; P1282-T1285 PolarHBondContact O-N 2.93Å; P1282-T1285 VanDerWaalsContact O-N 3.13Å; P1282-T1285 PolarHBondContact O-OG1 3.01Å
1283	S	67.1	Low	67.6	Low	113 Å²	113	83.5 Å²	83.5	79%	0.79	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	143.7	176.5	-64.4	0	0	0	0	111.2	T1285	S1283-T1285 VanDerWaalsContact C-N 3.31Å
1284	G	67.1	Low	65.5	Low	18 Å²	18	88.7 Å²	88.7	19%	0.186	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	15.1	-170.3	0	0	0	0	0	114.3	C1320	G1284-C1320 WeakPolarHBondContact O-CB 3.24Å; G1284-C1320 PolarHBondContact O-N 2.73Å; G1284-C1320 PolarHBondContact O-SG 3.19Å
1285	T	76.7	Confident	63.7	Low	14 Å²	14	90.4 Å²	90.4	9%	0.086	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.2	173.2	77.7	0	0	0	0	113.2	Y1273 C1281 P1282 S1283 L1318 C1320	Y1273-T1285 HydrophobicContact CD2-CG2 3.9Å; Y1273-T1285 HydrophobicContact CE1-CG2 4.4Å; Y1273-T1285 HydrophobicContact CE2-CG2 3.33Å; C1281-T1285 WeakPolarHBondContact CB-OG1 3.16Å; P1282-T1285 WeakPolarHBondContact CD-OG1 3.18Å; P1282-T1285 HydrophobicContact CG-CG2 3.96Å; P1282-T1285 WeakPolarHBondContact O-CB 3.25Å; P1282-T1285 PolarHBondContact O-N 2.93Å; P1282-T1285 VanDerWaalsContact O-N 3.13Å; P1282-T1285 PolarHBondContact O-OG1 3.01Å; S1283-T1285 VanDerWaalsContact C-N 3.31Å; T1285-L1318 CarbonylContact C-O 3.6Å; T1285-L1318 WeakPolarHBondContact CA-O 3.49Å; T1285-L1318 VanDerWaalsContact CB-O 3.22Å; T1285-L1318 WeakPolarHBondContact CB-O 3.49Å; T1285-C1320 VanDerWaalsContact C-SG 3.56Å; T1285-C1320 VanDerWaalsContact CA-SG 3.51Å; T1285-C1320 PolarHBondContact N-SG 3.36Å
1286	Y	77.9	Confident	61.9	Low	48 Å²	48	92.5 Å²	92.5	19%	0.188	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.8	173.9	71.5	-83.5	0	0	0	112.1	C1317 L1318 P1331	Y1286-C1317 WeakPolarHBondContact O-CA 3.49Å; Y1286-L1318 HydrophobicContact CD1-CB 4.21Å; Y1286-L1318 VanDerWaalsContact CD1-O 3.24Å; Y1286-L1318 WeakPolarHBondContact CD1-O 3.11Å; Y1286-L1318 HydrophobicContact CE1-CB 3.68Å; Y1286-L1318 HydrophobicContact CE2-CB 4.43Å; Y1286-L1318 HydrophobicContact CE2-CD1 4.35Å; Y1286-L1318 PolarHBondContact N-O 3.43Å; Y1286-L1318 PolarHBondContact O-N 2.95Å; Y1286-P1331 HydrophobicContact CE1-CB 3.87Å; Y1286-P1331 HydrophobicContact CE1-CG 4.44Å
1287	P	74.9	Confident	60.2	Low	80 Å²	80	92.6 Å²	92.6	52%	0.519	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	138	-178.6	31.2	-34.2	0	0	0	113.7	F1315	P1287-F1315 HydrophobicContact CB-CB 4.36Å; P1287-F1315 HydrophobicContact CB-CD1 3.96Å; P1287-F1315 HydrophobicContact CB-CG 4.33Å
1288	K	73.8	Confident	58.2	Low	100 Å²	100	98 Å²	98	44%	0.435	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.9	172.6	173.3	-174.3	163.6	-149.8	0	109	F1315 E1316 L1318	K1288-F1315 CarbonylContact O-C 3.54Å; K1288-F1315 WeakPolarHBondContact O-CA 3.48Å; K1288-E1316 WeakPolarHBondContact CB-O 3.42Å; K1288-E1316 WeakPolarHBondContact CD-OE2 3.45Å; K1288-E1316 WeakPolarHBondContact CE-OE2 3.15Å; K1288-E1316 PolarHBondContact N-O 3.07Å; K1288-E1316 IonicContact NZ-OE2 2.69Å; K1288-E1316 PolarHBondContact NZ-OE2 3.23Å; K1288-E1316 PolarHBondContact O-N 2.04Å; K1288-L1318 HydrophobicContact CB-CD1 4.33Å; K1288-L1318 HydrophobicContact CD-CD1 3.51Å; K1288-L1318 HydrophobicContact CD-CG 4.39Å
1289	K	69.7	Low	56.5	Low	144 Å²	144	103.5 Å²	103.5	63%	0.626	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	133.1	178.6	-76.7	-171.6	173	-173.7	0	111.3	F1315	K1289-F1315 HydrophobicContact CG-CD1 4.21Å; K1289-F1315 HydrophobicContact CG-CE1 3.9Å
1290	K	55.8	Low	54.5	Low	97 Å²	97	106.1 Å²	106.1	42%	0.422	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-82.5	128.2	179.2	-148.2	168.3	-171.8	172.5	0	110	S1272 S1314 E1316	S1272-K1290 PolarHBondContact OG-NZ 3.43Å; K1290-S1314 WeakPolarHBondContact CB-O 3.3Å; K1290-S1314 PolarHBondContact N-O 3.07Å; K1290-S1314 VanDerWaalsContact N-O 3.13Å; K1290-E1316 HydrophobicContact CG-CB 4.49Å
1291	S	46.8	Very low	52.3	Low	98 Å²	98	107.9 Å²	107.9	69%	0.685	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-97	118.3	-172	179.5	0	0	0	0	112.7	R1293	S1291-R1293 PolarHBondContact O-N 3.08Å
1292	L	38.6	Very low	49.9	Very low	161 Å²	161	112.7 Å²	112.7	84%	0.843	60%	0.595	S	S	*	*			trans	-78.9	92.7	177	-70.7	161.7	0	0	0	111.4
1293	R	31.1	Very low	47.9	Very low	218 Å²	218	120.6 Å²	120.6	82%	0.823	62%	0.621	S	S	*	*			trans	-142.2	2	173.6	-72	-162.6	-175.4	-132.3	1.2	117.3	S1291	S1291-R1293 PolarHBondContact O-N 3.08Å
1294	N	33.3	Very low	46.3	Very low	161 Å²	161	124.2 Å²	124.2	86%	0.861	62%	0.619	S	S	*	*			trans	-120.6	47.3	-173.7	-68.7	11.6	0	0	0	113.5
1295	F	34.6	Very low	44.4	Very low	178 Å²	178	129.9 Å²	129.9	78%	0.781	64%	0.643	S	S	*	*			trans	-118.3	135	170.7	-90.6	-86.8	0	0	0	110.7
1296	D	31.9	Very low	42.2	Very low	102 Å²	102	132.1 Å²	132.1	55%	0.545	67%	0.669	S	S	.	*			trans	-76.1	123.4	179.8	-167.6	-46.1	0	0	0	110.3	T1298	D1296-T1298 PolarHBondContact O-N 2.6Å; D1296-T1298 WeakPolarHBondContact OD1-CB 3.4Å; D1296-T1298 WeakPolarHBondContact OD1-CG2 3.01Å; D1296-T1298 PolarHBondContact OD1-N 3.46Å; D1296-T1298 PolarHBondContact OD1-OG1 3.28Å
1297	P	34.8	Very low	40.1	Very low	118 Å²	118	140.6 Å²	140.6	77%	0.766	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-66.9	-11.9	-179.2	-21.6	34.1	0	0	0	115.3	L1299	P1297-L1299 PolarHBondContact O-N 3.08Å
1298	T	36.1	Very low	38	Very low	119 Å²	119	141.4 Å²	141.4	73%	0.73	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-83.1	-7.3	-169.6	61.3	0	0	0	0	115.2	D1296	D1296-T1298 PolarHBondContact O-N 2.6Å; D1296-T1298 WeakPolarHBondContact OD1-CB 3.4Å; D1296-T1298 WeakPolarHBondContact OD1-CG2 3.01Å; D1296-T1298 PolarHBondContact OD1-N 3.46Å; D1296-T1298 PolarHBondContact OD1-OG1 3.28Å
1299	L	38.3	Very low	36.1	Very low	151 Å²	151	141.1 Å²	141.1	79%	0.791	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-97.8	16.4	-177.4	-83.8	163.3	0	0	0	114.4	P1297	P1297-L1299 PolarHBondContact O-N 3.08Å
1300	L	30.5	Very low	34.4	Very low	127 Å²	127	142.2 Å²	142.2	67%	0.665	72%	0.723	S	S	*	*			trans	-133	70.2	-171.3	-143.5	81	0	0	0	114.4	I1305	L1300-I1305 HydrophobicContact CD2-CD1 4.45Å; L1300-I1305 HydrophobicContact CD2-CG1 4.5Å
1301	N	31.2	Very low	33.6	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	74%	0.741	S	S	*	*			trans	-151.2	139	158.3	-89.9	-14	0	0	0	106.2
1302	D	27.4	Very low	33.6	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	73%	0.727	S	S	*	*	S	Bend	cis	-122.8	173.3	2.4	-68.8	-55.3	0	0	0	111.6
1303	Y	29.4	Very low	34.2	Very low	211 Å²	211	139.6 Å²	139.6	83%	0.827	71%	0.709	S	S	*	*	S	Bend	trans	73.6	145.1	-174.3	-75.2	-107	0	0	0	116.2
1304	Y	31.5	Very low	35.6	Very low	189 Å²	189	130.9 Å²	130.9	74%	0.741	68%	0.681	S	S	*	*			trans	67.8	26.1	175.2	-64.6	-77.6	0	0	0	119.8	G1306	Y1304-G1306 PolarHBondContact O-N 3.09Å
1305	I	28.8	Very low	37.5	Very low	136 Å²	136	126.6 Å²	126.6	70%	0.697	66%	0.655	S	S	*	*			trans	-83.3	107.7	153.4	-59.7	179.3	0	0	0	108.6	L1300	L1300-I1305 HydrophobicContact CD2-CD1 4.45Å; L1300-I1305 HydrophobicContact CD2-CG1 4.5Å
1306	G	30.7	Very low	39.6	Very low	61 Å²	61	121 Å²	121	63%	0.629	63%	0.631	S	S	*	*	S	Bend	trans	172.6	-24.5	174.3	0	0	0	0	0	118.4	Y1304	Y1304-G1306 PolarHBondContact O-N 3.09Å
1307	Y	32.7	Very low	42.1	Very low	226 Å²	226	116.4 Å²	116.4	89%	0.886	61%	0.607	S	S	*	*			trans	-140.6	72.2	-169.9	-70.7	-83.1	0	0	0	114.4
1308	L	32.2	Very low	44.2	Very low	97 Å²	97	113.3 Å²	113.3	51%	0.508	58%	0.584	S	S	.	*			trans	-137.1	122.9	166	-88.9	172.1	0	0	0	110.8
1309	P	33.2	Very low	46.1	Very low	95 Å²	95	111.1 Å²	111.1	62%	0.617	57%	0.573	S	S	*	*			trans	-89.5	146.9	-174.4	33.8	-35	0	0	0	114.3	N1311	P1309-N1311 PolarHBondContact O-N 2.56Å
1310	D	34	Very low	47.4	Very low	167 Å²	167	105 Å²	105	89%	0.893	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	6.3	-167.7	-60.2	-71.7	0	0	0	118.2
1311	N	39.7	Very low	49.2	Very low	149 Å²	149	102 Å²	102	80%	0.797	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	3.3	-163.7	-90.8	-29.3	0	0	0	116.8	P1309 T1313	P1309-N1311 PolarHBondContact O-N 2.56Å; N1311-T1313 PolarHBondContact O-N 3.44Å
1312	I	45.2	Very low	50.6	Low	77 Å²	77	103.6 Å²	103.6	40%	0.395	53%	0.525	S	S	.	.			trans	-89.2	82.4	-177.2	-50.8	-179.1	0	0	0	111.3	S1314	I1312-S1314 PolarHBondContact O-N 3.46Å
1313	T	52.6	Low	52.1	Low	75 Å²	75	103.4 Å²	103.4	46%	0.46	52%	0.52	S	S	.	.			trans	-84.3	96.3	174.6	60.3	0	0	0	0	112	N1311 F1315	N1311-T1313 PolarHBondContact O-N 3.44Å; T1313-F1315 WeakPolarHBondContact O-CD2 3.44Å; T1313-F1315 VanDerWaalsContact O-CE2 3.32Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.14Å
1314	S	60	Low	53.4	Low	35 Å²	35	93.4 Å²	93.4	25%	0.245	48%	0.481	C	S	.	.			trans	-73.4	143.7	173.5	74.3	0	0	0	0	113	Y1270 K1290 I1312	Y1270-S1314 WeakPolarHBondContact O-CA 3.47Å; K1290-S1314 WeakPolarHBondContact CB-O 3.3Å; K1290-S1314 PolarHBondContact N-O 3.07Å; K1290-S1314 VanDerWaalsContact N-O 3.13Å; I1312-S1314 PolarHBondContact O-N 3.46Å
1315	F	72.2	Confident	54.3	Low	71 Å²	71	91 Å²	91	31%	0.311	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	153.3	177.9	-61.3	-89.7	0	0	0	113.1	Y1270 A1271 S1272 P1287 K1288 K1289 T1313	Y1270-F1315 PolarHBondContact O-N 2.7Å; Y1270-F1315 VanDerWaalsContact O-N 3.13Å; A1271-F1315 CarbonylContact C-O 3.49Å; A1271-F1315 WeakPolarHBondContact CA-O 3.5Å; A1271-F1315 HydrophobicContact CB-CB 3.97Å; S1272-F1315 PolarHBondContact N-O 2.85Å; S1272-F1315 PolarHBondContact OG-O 3.08Å; P1287-F1315 HydrophobicContact CB-CB 4.36Å; P1287-F1315 HydrophobicContact CB-CD1 3.96Å; P1287-F1315 HydrophobicContact CB-CG 4.33Å; K1288-F1315 CarbonylContact O-C 3.54Å; K1288-F1315 WeakPolarHBondContact O-CA 3.48Å; K1289-F1315 HydrophobicContact CG-CD1 4.21Å; K1289-F1315 HydrophobicContact CG-CE1 3.9Å; T1313-F1315 WeakPolarHBondContact O-CD2 3.44Å; T1313-F1315 VanDerWaalsContact O-CE2 3.32Å; T1313-F1315 WeakPolarHBondContact O-CE2 3.14Å
1316	E	80.1	Confident	55.3	Low	61 Å²	61	91.7 Å²	91.7	29%	0.285	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121	166.1	174.2	177.9	-101.3	0	0	107.4	S1272 K1288 K1290 L1318	S1272-E1316 CarbonylContact O-C 3.55Å; S1272-E1316 WeakPolarHBondContact O-CA 3.28Å; K1288-E1316 WeakPolarHBondContact CB-O 3.42Å; K1288-E1316 WeakPolarHBondContact CD-OE2 3.45Å; K1288-E1316 WeakPolarHBondContact CE-OE2 3.15Å; K1288-E1316 PolarHBondContact N-O 3.07Å; K1288-E1316 IonicContact NZ-OE2 2.69Å; K1288-E1316 PolarHBondContact NZ-OE2 3.23Å; K1288-E1316 PolarHBondContact O-N 2.04Å; K1290-E1316 HydrophobicContact CG-CB 4.49Å; E1316-L1318 HydrophobicContact CG-CD2 4.17Å
1317	C	83.3	Confident	56.4	Low	5 Å²	5	91.2 Å²	91.2	3%	0.034	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134	179.2	-48.7	0	0	0	0	109.5	S1272 Y1273 C1281 Y1286	S1272-C1317 PolarHBondContact O-N 3.39Å; Y1273-C1317 HydrophobicContact CD2-CB 3.78Å; Y1273-C1317 WeakPolarHBondContact CD2-O 3.24Å; Y1273-C1317 HydrophobicContact CG-CB 4.24Å; C1281-C1317 WeakPolarHBondContact CA-SG 3.05Å; C1281-C1317 HydrophobicContact CB-CB 3.71Å; C1281-C1317 WeakPolarHBondContact CB-SG 3.45Å; C1281-C1317 WeakPolarHBondContact SG-CB 3.25Å; C1281-C1317 CovalentContact SG-SG 2.04Å; C1281-C1317 PolarHBondContact SG-SG 3.43Å; Y1286-C1317 WeakPolarHBondContact O-CA 3.49Å
1318	L	79.1	Confident	57.3	Low	53 Å²	53	82 Å²	82	28%	0.277	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.2	-177.4	-64.7	179.9	0	0	0	111.1	T1285 Y1286 K1288 E1316	T1285-L1318 CarbonylContact C-O 3.6Å; T1285-L1318 WeakPolarHBondContact CA-O 3.49Å; T1285-L1318 VanDerWaalsContact CB-O 3.22Å; T1285-L1318 WeakPolarHBondContact CB-O 3.49Å; Y1286-L1318 HydrophobicContact CD1-CB 4.21Å; Y1286-L1318 VanDerWaalsContact CD1-O 3.24Å; Y1286-L1318 WeakPolarHBondContact CD1-O 3.11Å; Y1286-L1318 HydrophobicContact CE1-CB 3.68Å; Y1286-L1318 HydrophobicContact CE2-CB 4.43Å; Y1286-L1318 HydrophobicContact CE2-CD1 4.35Å; Y1286-L1318 PolarHBondContact N-O 3.43Å; Y1286-L1318 PolarHBondContact O-N 2.95Å; K1288-L1318 HydrophobicContact CB-CD1 4.33Å; K1288-L1318 HydrophobicContact CD-CD1 3.51Å; K1288-L1318 HydrophobicContact CD-CG 4.39Å; E1316-L1318 HydrophobicContact CG-CD2 4.17Å
1319	S	75.7	Confident	58.4	Low	73 Å²	73	81.5 Å²	81.5	51%	0.51	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140	-179	-55	0	0	0	0	112.5
1320	C	66.6	Low	59.8	Low	21 Å²	21	77.1 Å²	77.1	14%	0.142	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-74.3	168.9	176	-59.7	0	0	0	0	112.8	G1284 T1285 C1324 C1328	G1284-C1320 WeakPolarHBondContact O-CB 3.24Å; G1284-C1320 PolarHBondContact O-N 2.73Å; G1284-C1320 PolarHBondContact O-SG 3.19Å; T1285-C1320 VanDerWaalsContact C-SG 3.56Å; T1285-C1320 VanDerWaalsContact CA-SG 3.51Å; T1285-C1320 PolarHBondContact N-SG 3.36Å; C1320-C1324 HydrophobicContact CB-CB 3.94Å; C1320-C1328 HydrophobicContact CB-CB 3.47Å; C1320-C1328 VanDerWaalsContact CB-CB 3.47Å; C1320-C1328 WeakPolarHBondContact CB-SG 3.1Å; C1320-C1328 WeakPolarHBondContact SG-CB 3.02Å; C1320-C1328 CovalentContact SG-SG 2.02Å; C1320-C1328 PolarHBondContact SG-SG 3.14Å
1321	H	68.1	Low	60.8	Low	66 Å²	66	72.4 Å²	72.4	31%	0.306	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.9	151.1	165.5	-173.1	-107.1	0	0	0	111.3	E1323 C1324 A1333	H1321-E1323 IonicContact CE1-OE1 3.6Å; H1321-E1323 PolarHBondContact ND1-N 3.26Å; H1321-E1323 PolarHBondContact O-N 3.48Å; H1321-C1324 WeakPolarHBondContact O-CA 3.37Å; H1321-C1324 WeakPolarHBondContact O-CB 3.08Å; H1321-C1324 PolarHBondContact O-N 3.11Å; H1321-A1333 WeakPolarHBondContact ND1-CA 3.42Å
1322	K	60.8	Low	61.6	Low	173 Å²	173	68.4 Å²	68.4	75%	0.752	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.9	-172	-156.3	174	-173.2	178.8	0	114.1	C1324	K1322-C1324 VanDerWaalsContact C-N 3.3Å
1323	E	57.5	Low	62	Low	131 Å²	131	66.4 Å²	66.4	61%	0.612	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-77	-15.1	172.9	-68.5	169.3	-155.2	0	0	113.3	H1321 C1336	H1321-E1323 IonicContact CE1-OE1 3.6Å; H1321-E1323 PolarHBondContact ND1-N 3.26Å; H1321-E1323 PolarHBondContact O-N 3.48Å; E1323-C1336 HydrophobicContact CB-CB 4.01Å
1324	C	57.6	Low	62	Low	1 Å²	1	71 Å²	71	1%	0.007	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-99.3	12	-175.4	-48.6	0	0	0	0	113	C1320 H1321 K1322 I1326 G1327 C1328 T1332 C1336	C1320-C1324 HydrophobicContact CB-CB 3.94Å; H1321-C1324 WeakPolarHBondContact O-CA 3.37Å; H1321-C1324 WeakPolarHBondContact O-CB 3.08Å; H1321-C1324 PolarHBondContact O-N 3.11Å; K1322-C1324 VanDerWaalsContact C-N 3.3Å; C1324-I1326 PolarHBondContact O-N 2.81Å; C1324-G1327 CarbonylContact O-C 3.52Å; C1324-G1327 PolarHBondContact O-N 3.11Å; C1324-C1328 HydrophobicContact CB-CB 3.24Å; C1324-T1332 PolarHBondContact SG-O 2.9Å; C1324-C1336 WeakPolarHBondContact CA-SG 3.38Å; C1324-C1336 HydrophobicContact CB-CB 3.61Å; C1324-C1336 WeakPolarHBondContact CB-SG 3.17Å; C1324-C1336 PolarHBondContact N-SG 2.95Å; C1324-C1336 WeakPolarHBondContact SG-CA 3.37Å; C1324-C1336 WeakPolarHBondContact SG-CB 3.32Å; C1324-C1336 CovalentContact SG-SG 2.01Å; C1324-C1336 PolarHBondContact SG-SG 3.28Å
1325	E	51.2	Low	61.9	Low	138 Å²	138	72.6 Å²	72.6	65%	0.645	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.1	-166.6	-159.8	161.6	-129.8	0	0	113.4
1326	I	50.1	Low	61.2	Low	151 Å²	151	69.8 Å²	69.8	77%	0.774	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.4	-179.6	-54.9	175.8	0	0	0	112.5	C1324	C1324-I1326 PolarHBondContact O-N 2.81Å
1327	G	52.2	Low	59.6	Low	51 Å²	51	71.8 Å²	71.8	53%	0.526	40%	0.4	S	S	.	.			trans	152.1	109.5	169.6	0	0	0	0	0	113.9	C1324	C1324-G1327 CarbonylContact O-C 3.52Å; C1324-G1327 PolarHBondContact O-N 3.11Å
1328	C	51.5	Low	58	Low	31 Å²	31	82.1 Å²	82.1	21%	0.209	44%	0.438	C	S	.	.			trans	-114.5	163.4	-179.9	94.8	0	0	0	0	114	C1320 C1324 G1330	C1320-C1328 HydrophobicContact CB-CB 3.47Å; C1320-C1328 VanDerWaalsContact CB-CB 3.47Å; C1320-C1328 WeakPolarHBondContact CB-SG 3.1Å; C1320-C1328 WeakPolarHBondContact SG-CB 3.02Å; C1320-C1328 CovalentContact SG-SG 2.02Å; C1320-C1328 PolarHBondContact SG-SG 3.14Å; C1324-C1328 HydrophobicContact CB-CB 3.24Å; C1328-G1330 PolarHBondContact SG-O 3.13Å
1329	S	56.1	Low	56.6	Low	88 Å²	88	82 Å²	82	62%	0.615	44%	0.442	S	S	*	.	S	Bend	trans	-114.9	0.1	166.2	58.7	0	0	0	0	114.2
1330	G	63.1	Low	55.2	Low	2 Å²	2	89.4 Å²	89.4	2%	0.021	46%	0.458	C	S	.	.	S	Bend	trans	-176.8	-175.9	-176.8	0	0	0	0	0	114.4	C1328 E1335	C1328-G1330 PolarHBondContact SG-O 3.13Å; G1330-E1335 VanDerWaalsContact C-OE2 3.25Å; G1330-E1335 WeakPolarHBondContact CA-OE2 3.38Å
1331	P	55.2	Low	54.9	Low	69 Å²	69	93.6 Å²	93.6	45%	0.448	48%	0.476	S	S	.	.	S	Bend	trans	-83.4	-3.6	-169.4	32.4	-35.5	0	0	0	115.8	Y1286 E1335	Y1286-P1331 HydrophobicContact CE1-CB 3.87Å; Y1286-P1331 HydrophobicContact CE1-CG 4.44Å; P1331-E1335 WeakPolarHBondContact CD-OE2 3.4Å
1332	T	55	Low	54.9	Low	65 Å²	65	90.9 Å²	90.9	40%	0.399	46%	0.464	S	S	.	.	S	Bend	trans	-107.3	156.5	-172.2	70.3	0	0	0	0	113.9	C1324 E1334 E1335 C1336	C1324-T1332 PolarHBondContact SG-O 2.9Å; T1332-E1334 PolarHBondContact O-N 3.31Å; T1332-E1335 WeakPolarHBondContact CB-OE2 3.26Å; T1332-E1335 PolarHBondContact N-OE2 3Å; T1332-E1335 PolarHBondContact O-N 3.15Å; T1332-E1335 VanDerWaalsContact OG1-CD 3.29Å; T1332-E1335 WeakPolarHBondContact OG1-CG 3.44Å; T1332-E1335 PolarHBondContact OG1-OE2 3.18Å; T1332-C1336 PolarHBondContact O-SG 3.36Å
1333	A	53.5	Low	55.4	Low	34 Å²	34	84.1 Å²	84.1	28%	0.281	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-56.1	-36.1	173.6	0	0	0	0	0	113.2	H1321 E1335 C1336	H1321-A1333 WeakPolarHBondContact ND1-CA 3.42Å; A1333-E1335 PolarHBondContact O-N 3.4Å; A1333-C1336 VanDerWaalsContact O-CB 3.32Å; A1333-C1336 WeakPolarHBondContact O-CB 3.24Å; A1333-C1336 PolarHBondContact O-N 3.31Å; A1333-C1336 VanDerWaalsContact O-N 3.16Å; A1333-C1336 PolarHBondContact O-SG 2.85Å
1334	E	54.1	Low	56.3	Low	171 Å²	171	78.4 Å²	78.4	80%	0.799	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-67.3	-21.5	-175.9	-155	160.2	-156.2	0	0	112.5	T1332	T1332-E1334 PolarHBondContact O-N 3.31Å
1335	E	57	Low	56.6	Low	69 Å²	69	79.9 Å²	79.9	32%	0.322	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-87.7	-5.1	178.6	-66.1	164.9	118.5	0	0	113.7	G1330 P1331 T1332 A1333	G1330-E1335 VanDerWaalsContact C-OE2 3.25Å; G1330-E1335 WeakPolarHBondContact CA-OE2 3.38Å; P1331-E1335 WeakPolarHBondContact CD-OE2 3.4Å; T1332-E1335 WeakPolarHBondContact CB-OE2 3.26Å; T1332-E1335 PolarHBondContact N-OE2 3Å; T1332-E1335 PolarHBondContact O-N 3.15Å; T1332-E1335 VanDerWaalsContact OG1-CD 3.29Å; T1332-E1335 WeakPolarHBondContact OG1-CG 3.44Å; T1332-E1335 PolarHBondContact OG1-OE2 3.18Å; A1333-E1335 PolarHBondContact O-N 3.4Å
1336	C	56.7	Low	57.4	Low	12 Å²	12	79 Å²	79	8%	0.081	41%	0.409	C	S	.	.			trans	-83.8	-24.7	-170.6	-57.9	0	0	0	0	116.5	E1323 C1324 T1332 A1333 R1338	E1323-C1336 HydrophobicContact CB-CB 4.01Å; C1324-C1336 WeakPolarHBondContact CA-SG 3.38Å; C1324-C1336 HydrophobicContact CB-CB 3.61Å; C1324-C1336 WeakPolarHBondContact CB-SG 3.17Å; C1324-C1336 PolarHBondContact N-SG 2.95Å; C1324-C1336 WeakPolarHBondContact SG-CA 3.37Å; C1324-C1336 WeakPolarHBondContact SG-CB 3.32Å; C1324-C1336 CovalentContact SG-SG 2.01Å; C1324-C1336 PolarHBondContact SG-SG 3.28Å; T1332-C1336 PolarHBondContact O-SG 3.36Å; A1333-C1336 VanDerWaalsContact O-CB 3.32Å; A1333-C1336 WeakPolarHBondContact O-CB 3.24Å; A1333-C1336 PolarHBondContact O-N 3.31Å; A1333-C1336 VanDerWaalsContact O-N 3.16Å; A1333-C1336 PolarHBondContact O-SG 2.85Å; C1336-R1338 VanDerWaalsContact C-N 3.32Å; C1336-R1338 PolarHBondContact O-N 2.99Å
1337	T	48.1	Very low	57.3	Low	104 Å²	104	73.8 Å²	73.8	64%	0.638	38%	0.383	S	S	*	.			trans	-85.8	33.1	-139.7	47.9	0	0	0	0	116.5
1338	R	48.6	Very low	57.2	Low	221 Å²	221	77.2 Å²	77.2	83%	0.834	40%	0.399	S	S	*	.			trans	-130.2	0.7	-155.3	-68.2	-170.1	-175.7	156.2	7.2	122.3	C1336	C1336-R1338 VanDerWaalsContact C-N 3.32Å; C1336-R1338 PolarHBondContact O-N 2.99Å
1339	C	48.9	Very low	57.1	Low	52 Å²	52	81.8 Å²	81.8	35%	0.351	42%	0.417	S	S	.	.			trans	-131.9	140.8	166.7	-154.3	0	0	0	0	114.3	C1355	C1339-C1355 HydrophobicContact CB-CB 4.09Å; C1339-C1355 WeakPolarHBondContact CB-SG 3.46Å; C1339-C1355 WeakPolarHBondContact SG-CB 3.43Å; C1339-C1355 CovalentContact SG-SG 2.04Å; C1339-C1355 PolarHBondContact SG-SG 2.99Å
1340	R	47.3	Very low	57.2	Low	228 Å²	228	81.8 Å²	81.8	86%	0.86	41%	0.408	S	S	*	.			trans	-152.7	-1.7	-169.7	-99.9	-173.5	176	-177.1	-0.5	117.9
1341	H	59.3	Low	56.4	Low	109 Å²	109	88.9 Å²	88.9	51%	0.505	44%	0.439	S	S	.	.	S	Bend	trans	-134.1	-16.4	-149.2	-63	135.4	0	0	0	121.5	N1356 N1357 K1366	H1341-N1356 CarbonylContact C-O 3.39Å; H1341-N1357 HydrophobicContact CB-CB 4.36Å; H1341-N1357 PolarHBondContact ND1-OD1 3.39Å; H1341-K1366 PolarHBondContact O-NZ 2.93Å
1342	V	69	Low	55.8	Low	9 Å²	9	88.2 Å²	88.2	6%	0.055	44%	0.435	C	S	.	.			trans	-179.5	153.5	171.2	119.7	0	0	0	0	112.1	I1344 C1355 N1356 K1366 I1375	V1342-I1344 HydrophobicContact CG1-CG1 4.16Å; V1342-C1355 WeakPolarHBondContact O-CA 3.28Å; V1342-N1356 WeakPolarHBondContact CA-O 3.2Å; V1342-N1356 WeakPolarHBondContact CB-O 3.38Å; V1342-N1356 HydrophobicContact CG1-CB 4.47Å; V1342-N1356 PolarHBondContact N-O 3.23Å; V1342-N1356 PolarHBondContact O-N 3.17Å; V1342-K1366 HydrophobicContact CG2-CD 3.79Å; V1342-K1366 HydrophobicContact CG2-CG 4.05Å; V1342-I1375 HydrophobicContact CG2-CB 4.32Å; V1342-I1375 HydrophobicContact CG2-CG2 3.71Å
1343	K	70.4	Confident	56	Low	30 Å²	30	90.9 Å²	90.9	13%	0.13	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.9	165.7	-73.6	-170.6	178.2	-177.4	0	112.8	W1353 E1374 I1375 I1376 C1377	K1343-W1353 HydrophobicContact CB-CB 4.34Å; K1343-W1353 HydrophobicContact CB-CG 4.47Å; K1343-W1353 HydrophobicContact CD-CB 4.36Å; K1343-W1353 HydrophobicContact CD-CD2 3.97Å; K1343-W1353 HydrophobicContact CD-CG 3.73Å; K1343-W1353 HydrophobicContact CG-CB 4.5Å; K1343-W1353 HydrophobicContact CG-CG 4.11Å; K1343-E1374 WeakPolarHBondContact CD-OE2 3.43Å; K1343-E1374 VanDerWaalsContact CE-CD 3.48Å; K1343-E1374 WeakPolarHBondContact CE-OE1 3.5Å; K1343-E1374 VanDerWaalsContact CE-OE2 3.3Å; K1343-E1374 WeakPolarHBondContact CE-OE2 2.97Å; K1343-E1374 IonicContact NZ-OE1 3.49Å; K1343-E1374 PolarHBondContact NZ-OE1 3.07Å; K1343-E1374 IonicContact NZ-OE2 3.42Å; K1343-E1374 PolarHBondContact NZ-OE2 3.37Å; K1343-I1375 PolarHBondContact N-O 3.4Å; K1343-I1376 WeakPolarHBondContact O-CA 3.34Å; K1343-C1377 PolarHBondContact O-N 2.95Å; K1343-C1377 PolarHBondContact O-SG 3.23Å; K1343-C1377 VanDerWaalsContact O-SG 3.4Å
1344	I	76.5	Confident	56	Low	11 Å²	11	94.1 Å²	94.1	6%	0.056	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.9	171.2	-55.3	168.8	0	0	0	107.9	V1342 W1353 L1354 N1356 P1360	V1342-I1344 HydrophobicContact CG1-CG1 4.16Å; I1344-W1353 CarbonylContact O-C 3.55Å; I1344-W1353 WeakPolarHBondContact O-CA 3.31Å; I1344-W1353 WeakPolarHBondContact O-CB 3.5Å; I1344-L1354 PolarHBondContact N-O 2.76Å; I1344-L1354 PolarHBondContact O-N 2.88Å; I1344-N1356 HydrophobicContact CD1-CB 3.59Å; I1344-N1356 WeakPolarHBondContact CD1-ND2 3.41Å; I1344-N1356 HydrophobicContact CG1-CB 4.3Å; I1344-P1360 HydrophobicContact CD1-CG 4.25Å; I1344-P1360 HydrophobicContact CG2-CG 4.03Å
1345	Y	65.3	Low	55.9	Low	32 Å²	32	88.4 Å²	88.4	13%	0.125	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	140.3	175.7	-65.1	-71.8	0	0	0	112.1	M1350 S1352 W1353 I1376	Y1345-M1350 HydrophobicContact CD1-CB 3.77Å; Y1345-M1350 HydrophobicContact CD1-CG 4.1Å; Y1345-M1350 WeakPolarHBondContact CD1-O 3.37Å; Y1345-M1350 HydrophobicContact CD2-CB 4.31Å; Y1345-M1350 HydrophobicContact CD2-CE 3.91Å; Y1345-M1350 HydrophobicContact CD2-CG 3.76Å; Y1345-M1350 HydrophobicContact CD2-SD 4.11Å; Y1345-M1350 HydrophobicContact CE1-CB 3.76Å; Y1345-M1350 HydrophobicContact CE1-CG 4.27Å; Y1345-M1350 WeakPolarHBondContact CE1-O 3.05Å; Y1345-M1350 HydrophobicContact CE2-CB 4.27Å; Y1345-M1350 HydrophobicContact CE2-CE 3.93Å; Y1345-M1350 HydrophobicContact CE2-CG 3.92Å; Y1345-M1350 HydrophobicContact CE2-SD 3.79Å; Y1345-M1350 HydrophobicContact CG-CB 4.07Å; Y1345-M1350 HydrophobicContact CG-CG 3.86Å; Y1345-S1352 VanDerWaalsContact CA-O 3.31Å; Y1345-S1352 WeakPolarHBondContact CA-O 3.03Å; Y1345-W1353 HydrophobicContact CD1-CB 3.93Å; Y1345-W1353 HydrophobicContact CE1-CB 4.2Å; Y1345-W1353 HydrophobicContact CE1-CE3 4.13Å; Y1345-I1376 HydrophobicContact CD2-CB 4.38Å; Y1345-I1376 HydrophobicContact CD2-CD1 4.45Å; Y1345-I1376 HydrophobicContact CE2-CB 3.75Å; Y1345-I1376 HydrophobicContact CE2-CD1 3.85Å; Y1345-I1376 HydrophobicContact CE2-CG1 4.42Å; Y1345-I1376 HydrophobicContact CE2-CG2 3.54Å
1346	H	67.1	Low	56	Low	119 Å²	119	88.1 Å²	88.1	55%	0.551	43%	0.429	S	S	*	.	S	Bend	trans	-102.6	-2.4	176.3	-79	-92.6	0	0	0	113.3	S1352 L1354	H1346-S1352 PolarHBondContact N-O 3.08Å; H1346-L1354 WeakPolarHBondContact NE2-CD1 3.47Å
1347	D	48.8	Very low	56.4	Low	43 Å²	43	92 Å²	92	23%	0.23	45%	0.449	C	S	.	.	S	Bend	trans	-134	135.3	-173.3	158.9	42	0	0	0	109.6	Q1349 M1350 K1351	D1347-Q1349 PolarHBondContact O-N 2.87Å; D1347-Q1349 PolarHBondContact OD1-N 2.83Å; D1347-Q1349 VanDerWaalsContact OD2-C 3.23Å; D1347-Q1349 WeakPolarHBondContact OD2-CA 3.45Å; D1347-Q1349 VanDerWaalsContact OD2-CB 3.31Å; D1347-Q1349 WeakPolarHBondContact OD2-CB 3.39Å; D1347-Q1349 PolarHBondContact OD2-N 3.32Å; D1347-M1350 WeakPolarHBondContact O-CA 3.26Å; D1347-M1350 PolarHBondContact O-N 2.04Å; D1347-M1350 PolarHBondContact OD2-N 3.33Å; D1347-K1351 VanDerWaalsContact OD2-CB 3.25Å; D1347-K1351 WeakPolarHBondContact OD2-CB 3.28Å; D1347-K1351 PolarHBondContact OD2-N 3.49Å
1348	S	50.2	Low	57.6	Low	123 Å²	123	91.2 Å²	91.2	86%	0.86	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.6	173.9	56.7	0	0	0	0	114.5
1349	Q	48.4	Very low	59	Low	127 Å²	127	81.6 Å²	81.6	59%	0.593	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	7.5	174	-47.2	-177.2	-1	0	0	112.7	D1347 K1351	D1347-Q1349 PolarHBondContact O-N 2.87Å; D1347-Q1349 PolarHBondContact OD1-N 2.83Å; D1347-Q1349 VanDerWaalsContact OD2-C 3.23Å; D1347-Q1349 WeakPolarHBondContact OD2-CA 3.45Å; D1347-Q1349 VanDerWaalsContact OD2-CB 3.31Å; D1347-Q1349 WeakPolarHBondContact OD2-CB 3.39Å; D1347-Q1349 PolarHBondContact OD2-N 3.32Å; Q1349-K1351 HydrophobicContact CB-CD 4.13Å; Q1349-K1351 HydrophobicContact CB-CG 4.21Å; Q1349-K1351 PolarHBondContact O-N 2.6Å
1350	M	59.5	Low	60.3	Low	88 Å²	88	80.5 Å²	80.5	43%	0.433	40%	0.403	S	S	.	.	S	Bend	trans	59.2	19.5	179.2	-66.4	-177.1	163.9	0	0	115.9	Y1345 D1347 S1352 I1376	Y1345-M1350 HydrophobicContact CD1-CB 3.77Å; Y1345-M1350 HydrophobicContact CD1-CG 4.1Å; Y1345-M1350 WeakPolarHBondContact CD1-O 3.37Å; Y1345-M1350 HydrophobicContact CD2-CB 4.31Å; Y1345-M1350 HydrophobicContact CD2-CE 3.91Å; Y1345-M1350 HydrophobicContact CD2-CG 3.76Å; Y1345-M1350 HydrophobicContact CD2-SD 4.11Å; Y1345-M1350 HydrophobicContact CE1-CB 3.76Å; Y1345-M1350 HydrophobicContact CE1-CG 4.27Å; Y1345-M1350 WeakPolarHBondContact CE1-O 3.05Å; Y1345-M1350 HydrophobicContact CE2-CB 4.27Å; Y1345-M1350 HydrophobicContact CE2-CE 3.93Å; Y1345-M1350 HydrophobicContact CE2-CG 3.92Å; Y1345-M1350 HydrophobicContact CE2-SD 3.79Å; Y1345-M1350 HydrophobicContact CG-CB 4.07Å; Y1345-M1350 HydrophobicContact CG-CG 3.86Å; D1347-M1350 WeakPolarHBondContact O-CA 3.26Å; D1347-M1350 PolarHBondContact O-N 2.04Å; D1347-M1350 PolarHBondContact OD2-N 3.33Å; M1350-S1352 PolarHBondContact O-N 2.71Å; M1350-I1376 HydrophobicContact CE-CD1 3.73Å
1351	K	44.4	Very low	61.6	Low	151 Å²	151	77.3 Å²	77.3	66%	0.657	40%	0.403	S	S	*	.			trans	-80.9	-11.2	-175.6	-62.9	171.5	174.8	172	0	114.8	D1347 Q1349	D1347-K1351 VanDerWaalsContact OD2-CB 3.25Å; D1347-K1351 WeakPolarHBondContact OD2-CB 3.28Å; D1347-K1351 PolarHBondContact OD2-N 3.49Å; Q1349-K1351 HydrophobicContact CB-CD 4.13Å; Q1349-K1351 HydrophobicContact CB-CG 4.21Å; Q1349-K1351 PolarHBondContact O-N 2.6Å
1352	S	43.4	Very low	61.9	Low	54 Å²	54	79.2 Å²	79.2	38%	0.378	41%	0.41	S	S	.	.			trans	-139.3	138.5	179.8	63.5	0	0	0	0	111.5	Y1345 H1346 M1350	Y1345-S1352 VanDerWaalsContact CA-O 3.31Å; Y1345-S1352 WeakPolarHBondContact CA-O 3.03Å; H1346-S1352 PolarHBondContact N-O 3.08Å; M1350-S1352 PolarHBondContact O-N 2.71Å
1353	W	58.9	Low	62	Low	121 Å²	121	79.4 Å²	79.4	46%	0.458	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	155.6	-178.5	64.2	83.5	0	0	0	113.6	K1343 I1344 Y1345	K1343-W1353 HydrophobicContact CB-CB 4.34Å; K1343-W1353 HydrophobicContact CB-CG 4.47Å; K1343-W1353 HydrophobicContact CD-CB 4.36Å; K1343-W1353 HydrophobicContact CD-CD2 3.97Å; K1343-W1353 HydrophobicContact CD-CG 3.73Å; K1343-W1353 HydrophobicContact CG-CB 4.5Å; K1343-W1353 HydrophobicContact CG-CG 4.11Å; I1344-W1353 CarbonylContact O-C 3.55Å; I1344-W1353 WeakPolarHBondContact O-CA 3.31Å; I1344-W1353 WeakPolarHBondContact O-CB 3.5Å; Y1345-W1353 HydrophobicContact CD1-CB 3.93Å; Y1345-W1353 HydrophobicContact CE1-CB 4.2Å; Y1345-W1353 HydrophobicContact CE1-CE3 4.13Å
1354	L	54.1	Low	62.2	Low	102 Å²	102	81.3 Å²	81.3	53%	0.534	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.2	168	-119.8	156.4	0	0	0	109.7	I1344 H1346	I1344-L1354 PolarHBondContact N-O 2.76Å; I1344-L1354 PolarHBondContact O-N 2.88Å; H1346-L1354 WeakPolarHBondContact NE2-CD1 3.47Å
1355	C	51.2	Low	62	Low	51 Å²	51	84.8 Å²	84.8	35%	0.345	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.5	175.5	-164.7	0	0	0	0	109.2	C1339 V1342	C1339-C1355 HydrophobicContact CB-CB 4.09Å; C1339-C1355 WeakPolarHBondContact CB-SG 3.46Å; C1339-C1355 WeakPolarHBondContact SG-CB 3.43Å; C1339-C1355 CovalentContact SG-SG 2.04Å; C1339-C1355 PolarHBondContact SG-SG 2.99Å; V1342-C1355 WeakPolarHBondContact O-CA 3.28Å
1356	N	60.9	Low	62.7	Low	63 Å²	63	88.2 Å²	88.2	34%	0.337	46%	0.458	S	S	.	.			trans	-140.5	166.8	-175.1	-163.5	-1.5	0	0	0	111	H1341 V1342 I1344 T1358	H1341-N1356 CarbonylContact C-O 3.39Å; V1342-N1356 WeakPolarHBondContact CA-O 3.2Å; V1342-N1356 WeakPolarHBondContact CB-O 3.38Å; V1342-N1356 HydrophobicContact CG1-CB 4.47Å; V1342-N1356 PolarHBondContact N-O 3.23Å; V1342-N1356 PolarHBondContact O-N 3.17Å; I1344-N1356 HydrophobicContact CD1-CB 3.59Å; I1344-N1356 WeakPolarHBondContact CD1-ND2 3.41Å; I1344-N1356 HydrophobicContact CG1-CB 4.3Å; N1356-T1358 PolarHBondContact ND2-O 3.07Å
1357	N	64.8	Low	62.6	Low	93 Å²	93	85 Å²	85	50%	0.497	44%	0.444	S	S	.	.	S	Bend	trans	-83	-27.8	178.7	-62	-46.3	0	0	0	113	H1341 K1366	H1341-N1357 HydrophobicContact CB-CB 4.36Å; H1341-N1357 PolarHBondContact ND1-OD1 3.39Å; N1357-K1366 PolarHBondContact O-NZ 3.17Å
1358	T	73.3	Confident	63.4	Low	88 Å²	88	89.1 Å²	89.1	54%	0.54	46%	0.46	S	S	.	.	S	Bend	trans	-135.1	155	-174.2	47.7	0	0	0	0	110.5	N1356	N1356-T1358 PolarHBondContact ND2-O 3.07Å
1359	C	78.2	Confident	64	Low	19 Å²	19	84.3 Å²	84.3	13%	0.128	43%	0.425	C	S	.	.			trans	-75.2	150.2	167.5	-67.3	0	0	0	0	110.7	S1363 K1366 C1377	C1359-S1363 VanDerWaalsContact CB-O 3.27Å; C1359-S1363 WeakPolarHBondContact CB-O 3.02Å; C1359-K1366 VanDerWaalsContact SG-CG 3.56Å; C1359-C1377 WeakPolarHBondContact CA-SG 3.47Å; C1359-C1377 HydrophobicContact CB-CB 3.69Å; C1359-C1377 WeakPolarHBondContact CB-SG 3.41Å; C1359-C1377 WeakPolarHBondContact SG-CA 3.21Å; C1359-C1377 WeakPolarHBondContact SG-CB 3.44Å; C1359-C1377 CovalentContact SG-SG 2.03Å; C1359-C1377 PolarHBondContact SG-SG 2.91Å
1360	P	74.7	Confident	63.9	Low	29 Å²	29	85.5 Å²	85.5	19%	0.188	43%	0.43	C	S	.	.			trans	-81.1	159.1	174.6	35.4	-33.6	0	0	0	110.4	I1344 F1362 S1363	I1344-P1360 HydrophobicContact CD1-CG 4.25Å; I1344-P1360 HydrophobicContact CG2-CG 4.03Å; P1360-F1362 HydrophobicContact CB-CD1 3.83Å; P1360-F1362 HydrophobicContact CB-CE1 3.48Å; P1360-F1362 VanDerWaalsContact CB-CE1 3.48Å; P1360-F1362 HydrophobicContact CB-CZ 3.91Å; P1360-F1362 HydrophobicContact CG-CD1 3.93Å; P1360-F1362 HydrophobicContact CG-CD2 4.14Å; P1360-F1362 HydrophobicContact CG-CE1 3.45Å; P1360-F1362 VanDerWaalsContact CG-CE1 3.45Å; P1360-F1362 HydrophobicContact CG-CE2 3.67Å; P1360-F1362 HydrophobicContact CG-CG 4.27Å; P1360-F1362 HydrophobicContact CG-CZ 3.3Å; P1360-F1362 PolarHBondContact O-N 3.02Å; P1360-S1363 WeakPolarHBondContact CG-OG 3.32Å; P1360-S1363 CarbonylContact O-C 3.56Å; P1360-S1363 PolarHBondContact O-N 2.62Å
1361	D	74.9	Confident	63.4	Low	161 Å²	161	90.9 Å²	90.9	86%	0.861	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19.9	-170.8	-54.7	-47.9	0	0	0	114.6
1362	F	67.1	Low	64.1	Low	150 Å²	150	87.1 Å²	87.1	66%	0.658	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11.2	176.3	62.8	-102.8	0	0	0	114.5	P1360	P1360-F1362 HydrophobicContact CB-CD1 3.83Å; P1360-F1362 HydrophobicContact CB-CE1 3.48Å; P1360-F1362 VanDerWaalsContact CB-CE1 3.48Å; P1360-F1362 HydrophobicContact CB-CZ 3.91Å; P1360-F1362 HydrophobicContact CG-CD1 3.93Å; P1360-F1362 HydrophobicContact CG-CD2 4.14Å; P1360-F1362 HydrophobicContact CG-CE1 3.45Å; P1360-F1362 VanDerWaalsContact CG-CE1 3.45Å; P1360-F1362 HydrophobicContact CG-CE2 3.67Å; P1360-F1362 HydrophobicContact CG-CG 4.27Å; P1360-F1362 HydrophobicContact CG-CZ 3.3Å; P1360-F1362 PolarHBondContact O-N 3.02Å
1363	S	70	Confident	64.8	Low	13 Å²	13	86.6 Å²	86.6	9%	0.091	44%	0.444	C	S	.	.	S	Bend	trans	-143.4	57.4	175.3	48.7	0	0	0	0	110.5	C1359 P1360 F1365 C1377 S1378	C1359-S1363 VanDerWaalsContact CB-O 3.27Å; C1359-S1363 WeakPolarHBondContact CB-O 3.02Å; P1360-S1363 WeakPolarHBondContact CG-OG 3.32Å; P1360-S1363 CarbonylContact O-C 3.56Å; P1360-S1363 PolarHBondContact O-N 2.62Å; S1363-F1365 VanDerWaalsContact C-N 3.25Å; S1363-F1365 PolarHBondContact O-N 3.22Å; S1363-F1365 VanDerWaalsContact O-N 3.14Å; S1363-C1377 WeakPolarHBondContact O-CB 3.45Å; S1363-S1378 CarbonylContact C-O 3.51Å; S1363-S1378 VanDerWaalsContact CA-O 3.24Å; S1363-S1378 WeakPolarHBondContact CA-O 3.47Å; S1363-S1378 PolarHBondContact O-N 2.97Å
1364	P	74.7	Confident	65	Low	69 Å²	69	84.1 Å²	84.1	45%	0.448	44%	0.437	S	S	.	.			trans	-70.5	-16.4	-160.9	30.7	-37.1	0	0	0	114.3	K1366	P1364-K1366 PolarHBondContact O-N 2.78Å
1365	F	73.1	Confident	65.9	Low	84 Å²	84	83.2 Å²	83.2	37%	0.368	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.5	-175.8	-55.5	-66.6	0	0	0	110.6	S1363 I1367 S1378 S1379	S1363-F1365 VanDerWaalsContact C-N 3.25Å; S1363-F1365 PolarHBondContact O-N 3.22Å; S1363-F1365 VanDerWaalsContact O-N 3.14Å; F1365-I1367 HydrophobicContact CB-CG2 4.13Å; F1365-I1367 PolarHBondContact O-N 3.05Å; F1365-S1378 WeakPolarHBondContact CD2-O 3.4Å; F1365-S1378 PolarHBondContact N-O 2.77Å; F1365-S1378 VanDerWaalsContact N-O 3.07Å; F1365-S1378 PolarHBondContact O-N 3.46Å; F1365-S1379 WeakPolarHBondContact CD2-O 3.31Å; F1365-S1379 VanDerWaalsContact CE2-O 3.27Å; F1365-S1379 WeakPolarHBondContact CE2-O 3.34Å
1366	K	78.6	Confident	67.2	Low	105 Å²	105	80.9 Å²	80.9	46%	0.457	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	98.8	163.9	-71.3	-166.2	-179.6	-151.5	0	108.4	H1341 V1342 N1357 C1359 P1364 I1375 I1376	H1341-K1366 PolarHBondContact O-NZ 2.93Å; V1342-K1366 HydrophobicContact CG2-CD 3.79Å; V1342-K1366 HydrophobicContact CG2-CG 4.05Å; N1357-K1366 PolarHBondContact O-NZ 3.17Å; C1359-K1366 VanDerWaalsContact SG-CG 3.56Å; P1364-K1366 PolarHBondContact O-N 2.78Å; K1366-I1375 HydrophobicContact CB-CG2 4.04Å; K1366-I1375 HydrophobicContact CD-CG2 4.19Å; K1366-I1375 HydrophobicContact CG-CG2 4.34Å; K1366-I1376 CarbonylContact C-O 3.45Å; K1366-I1376 WeakPolarHBondContact CA-O 3.04Å
1367	I	66	Low	68.3	Low	52 Å²	52	78.5 Å²	78.5	27%	0.267	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	157.6	173	69.9	169.2	0	0	0	110.3	F1365 I1376	F1365-I1367 HydrophobicContact CB-CG2 4.13Å; F1365-I1367 PolarHBondContact O-N 3.05Å; I1367-I1376 HydrophobicContact CD1-CD1 4.07Å; I1367-I1376 HydrophobicContact CD1-CG1 4.23Å; I1367-I1376 HydrophobicContact CG1-CD1 3.98Å; I1367-I1376 HydrophobicContact CG1-CG1 3.56Å; I1367-I1376 PolarHBondContact N-O 3.45Å; I1367-I1376 PolarHBondContact O-N 3.29Å
1368	F	66	Low	68.4	Low	129 Å²	129	75 Å²	75	57%	0.566	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	115.4	172.8	-155.3	-93.3	0	0	0	107.8	Q1370 G1373 I1375	F1368-Q1370 PolarHBondContact O-N 2.91Å; F1368-G1373 WeakPolarHBondContact CZ-O 3.4Å; F1368-I1375 HydrophobicContact CD2-CG1 4.25Å; F1368-I1375 HydrophobicContact CE2-CG1 4.43Å
1369	D	61.8	Low	68.3	Low	22 Å²	22	74.4 Å²	74.4	12%	0.118	39%	0.387	C	S	.	.			trans	-70.1	118.9	178.8	177.7	12.5	0	0	0	110	K1371 T1372 G1373 E1374 I1376	D1369-K1371 PolarHBondContact O-N 3.08Å; D1369-K1371 PolarHBondContact OD1-N 3.21Å; D1369-T1372 WeakPolarHBondContact CB-OG1 3.49Å; D1369-T1372 VanDerWaalsContact CG-OG1 3.27Å; D1369-T1372 VanDerWaalsContact OD2-CB 3.32Å; D1369-T1372 WeakPolarHBondContact OD2-CB 3.39Å; D1369-T1372 WeakPolarHBondContact OD2-CG2 3.48Å; D1369-T1372 PolarHBondContact OD2-N 3.46Å; D1369-T1372 PolarHBondContact OD2-OG1 2.7Å; D1369-G1373 WeakPolarHBondContact O-CA 3.19Å; D1369-G1373 PolarHBondContact O-N 2.92Å; D1369-E1374 PolarHBondContact N-O 2.83Å; D1369-I1376 HydrophobicContact CB-CD1 3.83Å; D1369-I1376 HydrophobicContact CB-CG1 4.02Å; D1369-I1376 HydrophobicContact CB-CG2 4.01Å
1370	Q	46.9	Very low	67.3	Low	152 Å²	152	78.9 Å²	78.9	71%	0.71	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.8	179.4	-63.8	-174	-4	0	0	113.4	F1368	F1368-Q1370 PolarHBondContact O-N 2.91Å
1371	K	49.5	Very low	66	Low	200 Å²	200	80.3 Å²	80.3	87%	0.87	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-33.3	176.1	-74.3	-175	174.6	-180	0	114.2	D1369	D1369-K1371 PolarHBondContact O-N 3.08Å; D1369-K1371 PolarHBondContact OD1-N 3.21Å
1372	T	59.1	Low	64.1	Low	73 Å²	73	79.3 Å²	79.3	45%	0.448	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-20	-179.3	60	0	0	0	0	114.5	D1369 E1374	D1369-T1372 WeakPolarHBondContact CB-OG1 3.49Å; D1369-T1372 VanDerWaalsContact CG-OG1 3.27Å; D1369-T1372 VanDerWaalsContact OD2-CB 3.32Å; D1369-T1372 WeakPolarHBondContact OD2-CB 3.39Å; D1369-T1372 WeakPolarHBondContact OD2-CG2 3.48Å; D1369-T1372 PolarHBondContact OD2-N 3.46Å; D1369-T1372 PolarHBondContact OD2-OG1 2.7Å; T1372-E1374 VanDerWaalsContact C-N 3.29Å; T1372-E1374 PolarHBondContact OG1-N 3.03Å
1373	G	57.1	Low	62.5	Low	42 Å²	42	79.3 Å²	79.3	43%	0.433	42%	0.42	S	S	.	.			trans	75.8	14.4	-174	0	0	0	0	0	114.2	F1368 D1369	F1368-G1373 WeakPolarHBondContact CZ-O 3.4Å; D1369-G1373 WeakPolarHBondContact O-CA 3.19Å; D1369-G1373 PolarHBondContact O-N 2.92Å
1374	E	62.8	Low	60.6	Low	69 Å²	69	84.9 Å²	84.9	32%	0.322	45%	0.448	S	S	.	.			trans	-102.6	159.3	-175.5	-59.8	-173.7	116.4	0	0	112.7	K1343 D1369 T1372 I1376	K1343-E1374 WeakPolarHBondContact CD-OE2 3.43Å; K1343-E1374 VanDerWaalsContact CE-CD 3.48Å; K1343-E1374 WeakPolarHBondContact CE-OE1 3.5Å; K1343-E1374 VanDerWaalsContact CE-OE2 3.3Å; K1343-E1374 WeakPolarHBondContact CE-OE2 2.97Å; K1343-E1374 IonicContact NZ-OE1 3.49Å; K1343-E1374 PolarHBondContact NZ-OE1 3.07Å; K1343-E1374 IonicContact NZ-OE2 3.42Å; K1343-E1374 PolarHBondContact NZ-OE2 3.37Å; D1369-E1374 PolarHBondContact N-O 2.83Å; T1372-E1374 VanDerWaalsContact C-N 3.29Å; T1372-E1374 PolarHBondContact OG1-N 3.03Å; E1374-I1376 HydrophobicContact CB-CG2 4.26Å; E1374-I1376 PolarHBondContact O-N 3.29Å
1375	I	72.6	Confident	58.4	Low	83 Å²	83	89.3 Å²	89.3	43%	0.426	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.5	174	-52.6	177.6	0	0	0	108.8	V1342 K1343 K1366 F1368	V1342-I1375 HydrophobicContact CG2-CB 4.32Å; V1342-I1375 HydrophobicContact CG2-CG2 3.71Å; K1343-I1375 PolarHBondContact N-O 3.4Å; K1366-I1375 HydrophobicContact CB-CG2 4.04Å; K1366-I1375 HydrophobicContact CD-CG2 4.19Å; K1366-I1375 HydrophobicContact CG-CG2 4.34Å; F1368-I1375 HydrophobicContact CD2-CG1 4.25Å; F1368-I1375 HydrophobicContact CE2-CG1 4.43Å
1376	I	78.9	Confident	56.4	Low	3 Å²	3	91.9 Å²	91.9	2%	0.015	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	164.9	-173.1	71.3	158.4	0	0	0	111.2	K1343 Y1345 M1350 K1366 I1367 D1369 E1374	K1343-I1376 WeakPolarHBondContact O-CA 3.34Å; Y1345-I1376 HydrophobicContact CD2-CB 4.38Å; Y1345-I1376 HydrophobicContact CD2-CD1 4.45Å; Y1345-I1376 HydrophobicContact CE2-CB 3.75Å; Y1345-I1376 HydrophobicContact CE2-CD1 3.85Å; Y1345-I1376 HydrophobicContact CE2-CG1 4.42Å; Y1345-I1376 HydrophobicContact CE2-CG2 3.54Å; M1350-I1376 HydrophobicContact CE-CD1 3.73Å; K1366-I1376 CarbonylContact C-O 3.45Å; K1366-I1376 WeakPolarHBondContact CA-O 3.04Å; I1367-I1376 HydrophobicContact CD1-CD1 4.07Å; I1367-I1376 HydrophobicContact CD1-CG1 4.23Å; I1367-I1376 HydrophobicContact CG1-CD1 3.98Å; I1367-I1376 HydrophobicContact CG1-CG1 3.56Å; I1367-I1376 PolarHBondContact N-O 3.45Å; I1367-I1376 PolarHBondContact O-N 3.29Å; D1369-I1376 HydrophobicContact CB-CD1 3.83Å; D1369-I1376 HydrophobicContact CB-CG1 4.02Å; D1369-I1376 HydrophobicContact CB-CG2 4.01Å; E1374-I1376 HydrophobicContact CB-CG2 4.26Å; E1374-I1376 PolarHBondContact O-N 3.29Å
1377	C	83.5	Confident	54	Low	13 Å²	13	92.9 Å²	92.9	9%	0.088	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	132.1	178.4	-60.5	0	0	0	0	112	K1343 C1359 S1363	K1343-C1377 PolarHBondContact O-N 2.95Å; K1343-C1377 PolarHBondContact O-SG 3.23Å; K1343-C1377 VanDerWaalsContact O-SG 3.4Å; C1359-C1377 WeakPolarHBondContact CA-SG 3.47Å; C1359-C1377 HydrophobicContact CB-CB 3.69Å; C1359-C1377 WeakPolarHBondContact CB-SG 3.41Å; C1359-C1377 WeakPolarHBondContact SG-CA 3.21Å; C1359-C1377 WeakPolarHBondContact SG-CB 3.44Å; C1359-C1377 CovalentContact SG-SG 2.03Å; C1359-C1377 PolarHBondContact SG-SG 2.91Å; S1363-C1377 WeakPolarHBondContact O-CB 3.45Å
1378	S	68.4	Low	52.2	Low	18 Å²	18	95.9 Å²	95.9	13%	0.126	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.3	-173.4	173.9	0	0	0	0	112.6	S1363 F1365 D1380	S1363-S1378 CarbonylContact C-O 3.51Å; S1363-S1378 VanDerWaalsContact CA-O 3.24Å; S1363-S1378 WeakPolarHBondContact CA-O 3.47Å; S1363-S1378 PolarHBondContact O-N 2.97Å; F1365-S1378 WeakPolarHBondContact CD2-O 3.4Å; F1365-S1378 PolarHBondContact N-O 2.77Å; F1365-S1378 VanDerWaalsContact N-O 3.07Å; F1365-S1378 PolarHBondContact O-N 3.46Å; S1378-D1380 VanDerWaalsContact C-N 3.31Å; S1378-D1380 PolarHBondContact OG-N 3.43Å; S1378-D1380 PolarHBondContact OG-O 3.01Å
1379	S	70.5	Confident	50.2	Low	77 Å²	77	99.1 Å²	99.1	54%	0.538	52%	0.52	S	S	.	.	S	Bend	trans	-70.5	-26.4	166.5	45.1	0	0	0	0	113.1	F1365	F1365-S1379 WeakPolarHBondContact CD2-O 3.31Å; F1365-S1379 VanDerWaalsContact CE2-O 3.27Å; F1365-S1379 WeakPolarHBondContact CE2-O 3.34Å
1380	D	57.4	Low	48.5	Very low	112 Å²	112	107.3 Å²	107.3	60%	0.599	55%	0.551	S	S	*	*			trans	-112	145.7	-170.2	-66.3	-78.8	0	0	0	112.5	S1378	S1378-D1380 VanDerWaalsContact C-N 3.31Å; S1378-D1380 PolarHBondContact OG-N 3.43Å; S1378-D1380 PolarHBondContact OG-O 3.01Å
1381	S	47.9	Very low	47.6	Very low	60 Å²	60	107.3 Å²	107.3	42%	0.42	56%	0.556	S	S	.	*			trans	-118.4	0.1	-169.7	49.5	0	0	0	0	114.8
1382	I	34.6	Very low	46.6	Very low	140 Å²	140	100.4 Å²	100.4	72%	0.718	54%	0.542	S	S	*	.			trans	-121.5	91	-163.4	-51.9	-179.6	0	0	0	111.2
1383	N	34.2	Very low	45	Very low	149 Å²	149	105.6 Å²	105.6	80%	0.797	56%	0.561	S	S	*	*			trans	169.7	70.6	137.3	-86.8	-34.4	0	0	0	110.6
1384	L	28.8	Very low	43.4	Very low	130 Å²	130	113 Å²	113	68%	0.681	58%	0.577	S	S	*	*			trans	-96.6	95.3	-178.1	-81.8	157	0	0	0	112
1385	H	29.7	Very low	41.4	Very low	163 Å²	163	113.7 Å²	113.7	76%	0.755	59%	0.59	S	S	*	*			trans	-143.5	90.5	159.2	-96.1	-84.2	0	0	0	108.1
1386	I	31.3	Very low	39.2	Very low	137 Å²	137	117.1 Å²	117.1	70%	0.703	61%	0.607	S	S	*	*				69.7	95.4	88.7	-63	166.9	0	0	0	111.4
1387	I	27.3	Very low	36.7	Very low	127 Å²	127	124.1 Å²	124.1	65%	0.651	64%	0.64	S	S	*	*			trans	-88.1	141.5	170.2	-60.1	160.4	0	0	0	108.4
1388	P	27.5	Very low	34.1	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	67%	0.667	S	S	*	*			trans	-134.8	134.4	138.5	22.7	-3.9	0	0	0	113.8
1389	Y	23.8	Very low	32	Very low	197 Å²	197	136.2 Å²	136.2	77%	0.773	70%	0.697	S	S	*	*			trans	-61.5	162.5	155.1	-101.1	-129.8	0	0	0	111.4
1390	Y	26.8	Very low	29.8	Very low	194 Å²	194	138 Å²	138	76%	0.761	70%	0.7	S	S	*	*			trans	115	130.4	147.7	-77.3	-72.2	0	0	0	121.5
1391	N	28.6	Very low	28.2	Very low	152 Å²	152	140 Å²	140	81%	0.813	71%	0.711	S	S	*	*			trans	72.9	140.3	141.7	-67.7	-23.9	0	0	0	121.9
1392	G	28.3	Very low	27.1	Very low	56 Å²	56	140.7 Å²	140.7	58%	0.577	72%	0.716	S	S	*	*			trans	160.8	37.5	148.9	0	0	0	0	0	122.5
1393	Q	25.3	Very low	26.5	Very low	182 Å²	182	139 Å²	139	85%	0.85	71%	0.712	S	S	*	*	S	Bend	trans	-99.8	114.5	131.5	-122.2	-169.2	4.6	0	0	105.6
1394	Y	22.8	Very low	26.2	Very low	196 Å²	196	138.3 Å²	138.3	77%	0.769	71%	0.707	S	S	*	*	S	Bend	cis	-95.1	160.9	3.7	-106	-106.5	0	0	0	115.3
1395	S	22.2	Very low	26	Very low	85 Å²	85	139.3 Å²	139.3	59%	0.594	71%	0.712	S	S	*	*			trans	-45.4	137.7	171.8	53.2	0	0	0	0	116.4
1396	I	25.1	Very low	26	Very low	154 Å²	154	138.4 Å²	138.4	79%	0.79	71%	0.708	S	S	*	*			trans	176.9	129.9	136.7	-96	154.8	0	0	0	106.2
1397	E	26.4	Very low	25.9	Very low	151 Å²	151	138.1 Å²	138.1	71%	0.706	71%	0.708	S	S	*	*			cis	-159.2	-179	-11.4	-126.6	-178.3	-157.6	0	0	108.7	H1399	E1397-H1399 PolarHBondContact O-N 2.93Å
1398	N	29.1	Very low	26.2	Very low	121 Å²	121	136.1 Å²	136.1	65%	0.647	71%	0.705	S	S	*	*			trans	12.3	104.6	147	-58.1	-49.4	0	0	0	117.9
1399	H	24.8	Very low	26.4	Very low	164 Å²	164	140.8 Å²	140.8	76%	0.759	71%	0.709	S	S	*	*				-174.9	132.5	111.3	-104.1	-68.3	0	0	0	113.8	E1397	E1397-H1399 PolarHBondContact O-N 2.93Å
1400	L	25	Very low	26.8	Very low	114 Å²	114	136.4 Å²	136.4	60%	0.597	70%	0.699	S	S	*	*			trans	66.8	138.6	147.6	-55	170.6	0	0	0	118.8	S1402	L1400-S1402 WeakPolarHBondContact CB-O 3.33Å; L1400-S1402 WeakPolarHBondContact CD1-O 3Å; L1400-S1402 WeakPolarHBondContact CD2-O 3.43Å; L1400-S1402 WeakPolarHBondContact CG-O 3.26Å
1401	N	22.1	Very low	27	Very low	155 Å²	155	132.4 Å²	132.4	83%	0.829	69%	0.691	S	S	*	*	S	Bend	cis	60.2	87.6	-6.6	-151.4	15.2	0	0	0	117.2
1402	S	26.1	Very low	27.2	Very low	74 Å²	74	132.1 Å²	132.1	52%	0.517	69%	0.689	S	S	.	*			trans	66.9	147.1	-177.1	79.8	0	0	0	0	115.1	L1400	L1400-S1402 WeakPolarHBondContact CB-O 3.33Å; L1400-S1402 WeakPolarHBondContact CD1-O 3Å; L1400-S1402 WeakPolarHBondContact CD2-O 3.43Å; L1400-S1402 WeakPolarHBondContact CG-O 3.26Å
1403	T	22.6	Very low	27.4	Very low	105 Å²	105	137 Å²	137	64%	0.644	70%	0.701	S	S	*	*				-162.2	95.4	88.4	-63.9	0	0	0	0	106.1
1404	I	26.6	Very low	27.7	Very low	134 Å²	134	134.2 Å²	134.2	69%	0.687	70%	0.696	S	S	*	*				62.2	91.2	101.7	-59	157.3	0	0	0	111.8
1405	L	24.7	Very low	28.1	Very low	150 Å²	150	130.3 Å²	130.3	79%	0.785	69%	0.692	S	S	*	*			trans	-169.4	111.9	151	-97.6	164	0	0	0	104.3
1406	H	29.5	Very low	28.5	Very low	144 Å²	144	134.8 Å²	134.8	67%	0.667	71%	0.706	S	S	*	*	S	Bend	cis	-129.1	155.6	11.7	-110.5	-73.4	0	0	0	112.3
1407	N	30.3	Very low	28.8	Very low	132 Å²	132	131.4 Å²	131.4	71%	0.706	70%	0.701	S	S	*	*				25.3	136.3	129.5	-65.6	7.2	0	0	0	118
1408	S	32.3	Very low	28.8	Very low	84 Å²	84	130.9 Å²	130.9	59%	0.587	71%	0.708	S	S	*	*			cis	176.3	146.1	20.2	130.5	0	0	0	0	109.7
1409	Y	33	Very low	28.7	Very low	212 Å²	212	134.7 Å²	134.7	83%	0.831	72%	0.719	S	S	*	*			trans	64.3	152.6	153.6	-79.4	-131.7	0	0	0	115.5
1410	N	31.2	Very low	29	Very low	106 Å²	106	133.1 Å²	133.1	57%	0.567	72%	0.716	S	S	*	*			cis	-165.6	174	-25.9	-139.8	-29.9	0	0	0	105.8
1411	N	32.3	Very low	29.4	Very low	110 Å²	110	135.1 Å²	135.1	59%	0.588	73%	0.727	S	S	*	*			trans	41.8	111.4	145.1	-63	-29.5	0	0	0	120.3
1412	N	30.9	Very low	29.5	Very low	145 Å²	145	134.1 Å²	134.1	78%	0.775	72%	0.722	S	S	*	*			trans	68.3	-170.6	143.1	-46.9	-31	0	0	0	115.5
1413	I	33.7	Very low	29.4	Very low	160 Å²	160	138.8 Å²	138.8	82%	0.821	73%	0.733	S	S	*	*			trans	57.5	104.8	168.6	-48.4	176.6	0	0	0	114.8
1414	V	30.8	Very low	29.5	Very low	122 Å²	122	139.3 Å²	139.3	74%	0.739	73%	0.731	S	S	*	*			cis	-161.9	-174.4	-8.7	79.2	0	0	0	0	107
1415	T	32.4	Very low	29.6	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	73%	0.73	S	S	*	*			trans	-36.6	137.4	161.4	46.8	0	0	0	0	112.4
1416	M	30.4	Very low	29.8	Very low	180 Å²	180	138.7 Å²	138.7	89%	0.887	73%	0.725	S	S	*	*				-142.6	154	68.3	-72.1	176.5	175	0	0	114.9
1417	A	31	Very low	29.6	Very low	83 Å²	83	138.9 Å²	138.9	69%	0.686	73%	0.73	S	S	*	*			trans	2	127.6	166.7	0	0	0	0	0	118.3
1418	T	26.2	Very low	29.4	Very low	139 Å²	139	139.8 Å²	139.8	85%	0.853	73%	0.729	S	S	*	*			cis	55.7	65.7	16.9	25.9	0	0	0	0	116.1
1419	K	27.8	Very low	29	Very low	201 Å²	201	142.7 Å²	142.7	87%	0.874	74%	0.735	S	S	*	*			trans	-174.1	174.4	147.8	-106.6	165.7	-178.5	-177.7	0	111.5
1420	N	29.5	Very low	28.6	Very low	132 Å²	132	140.4 Å²	140.4	71%	0.706	73%	0.734	S	S	*	*				-171.1	149.8	-69.4	-150.1	-11.8	0	0	0	109.5
1421	L	34.4	Very low	28.3	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	74%	0.74	S	S	*	*	S	Bend	trans	63.7	-148.3	151.9	-138.3	75.9	0	0	0	116.9
1422	N	24.3	Very low	28.1	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	75%	0.753	S	S	*	*	S	Bend	trans	-45.8	174.6	176.4	-95.5	-21.8	0	0	0	116.3
1423	F	23.7	Very low	27.9	Very low	172 Å²	172	144.8 Å²	144.8	75%	0.754	74%	0.743	S	S	*	*			trans	83.2	133.1	166.8	-89.4	-152.8	0	0	0	114.4
1424	L	24.7	Very low	27.6	Very low	115 Å²	115	144 Å²	144	60%	0.602	74%	0.74	S	S	*	*				60.4	137.3	76.2	-54.3	-172.8	0	0	0	111.1
1425	Q	29	Very low	27.5	Very low	142 Å²	142	145.4 Å²	145.4	66%	0.664	74%	0.742	S	S	*	*			cis	-158.9	-179.4	11.3	-134.1	151.6	-10	0	0	111.2
1426	N	28.3	Very low	27.2	Very low	130 Å²	130	149.8 Å²	149.8	70%	0.695	75%	0.746	S	S	*	*			trans	-19.9	144.4	153.8	-38.8	-18.2	0	0	0	115.2
1427	I	25.6	Very low	27	Very low	147 Å²	147	148.3 Å²	148.3	75%	0.754	74%	0.736	S	S	*	*				174.6	145.5	117.9	-91.4	157.1	0	0	0	111.6
1428	H	25.3	Very low	26.8	Very low	151 Å²	151	152 Å²	152	70%	0.699	73%	0.734	S	S	*	*			trans	52.2	112.1	175.7	-63.2	-46.7	0	0	0	118.2
1429	M	24.2	Very low	27	Very low	145 Å²	145	152 Å²	152	71%	0.714	72%	0.724	S	S	*	*			cis	84.5	141.7	49.8	-69.5	-143.6	-56.8	0	0	114.5
1430	M	24.1	Very low	26.9	Very low	164 Å²	164	148.4 Å²	148.4	81%	0.808	71%	0.706	S	S	*	*			trans	71.8	101.4	164.1	-68.7	175.9	179.4	0	0	118.8
1431	N	26.6	Very low	27	Very low	127 Å²	127	147.7 Å²	147.7	68%	0.679	70%	0.701	S	S	*	*				59.6	81.1	111.8	-169.1	33.9	0	0	0	118.8
1432	Y	27.8	Very low	26.8	Very low	220 Å²	220	142.9 Å²	142.9	86%	0.863	68%	0.681	S	S	*	*			trans	-134.1	118.3	136.3	-92.4	-92.6	0	0	0	106.6
1433	N	27.2	Very low	26.9	Very low	107 Å²	107	140.8 Å²	140.8	57%	0.572	67%	0.673	S	S	*	*				54.8	120.2	73.5	-81.7	-35.7	0	0	0	113.7
1434	N	26.9	Very low	27.3	Very low	143 Å²	143	141.3 Å²	141.3	77%	0.765	68%	0.678	S	S	*	*			trans	28.7	125.8	149.4	-54.1	-22.9	0	0	0	118.5
1435	I	27.3	Very low	27.7	Very low	152 Å²	152	141.1 Å²	141.1	78%	0.779	68%	0.682	S	S	*	*				-171.6	117.9	116.3	-96.6	152.1	0	0	0	113
1436	W	26.9	Very low	27.9	Very low	206 Å²	206	139.1 Å²	139.1	78%	0.78	69%	0.689	S	S	*	*			trans	66	113.9	139.1	-70	51.6	0	0	0	123.3
1437	H	25.7	Very low	28.7	Very low	148 Å²	148	136 Å²	136	69%	0.685	69%	0.687	S	S	*	*				65.8	154.8	103.7	-113	-115.5	0	0	0	121.9
1438	Y	27.7	Very low	29.3	Very low	161 Å²	161	134.9 Å²	134.9	63%	0.631	68%	0.682	S	S	*	*			trans	62.3	167.2	172.2	-65.4	-73.2	0	0	0	116.9
1439	H	29.4	Very low	29.9	Very low	138 Å²	138	130.7 Å²	130.7	64%	0.639	66%	0.664	S	S	*	*			cis	-106.8	-151.2	-19.4	-145.4	-75.3	0	0	0	110.4	K1181	K1181-H1439 PolarHBondContact NZ-O 2.04Å
1440	Y	25.8	Very low	31	Very low	126 Å²	126	128.3 Å²	128.3	49%	0.494	66%	0.662	S	S	.	*			trans	-178.9	104.1	-172.5	172.1	-96.4	0	0	0	105.7
1441	L	31.2	Very low	32	Very low	118 Å²	118	123.1 Å²	123.1	62%	0.618	64%	0.642	S	S	*	*			trans	-163.9	101.1	155.8	-138.6	77.8	0	0	0	115.8	T471	T471-L1441 CarbonylContact O-C 3.52Å; T471-L1441 VanDerWaalsContact O-O 3.09Å
1442	S	30.7	Very low	33.1	Very low	54 Å²	54	118.9 Å²	118.9	38%	0.378	62%	0.619	S	S	.	*			trans	42.6	124.5	136.4	78.3	0	0	0	0	124.3
1443	T	27.2	Very low	34.1	Very low	91 Å²	91	111.1 Å²	111.1	56%	0.558	60%	0.597	S	S	*	*				57.4	152.4	120.7	71.8	0	0	0	0	123.9
1444	Q	32.4	Very low	35.2	Very low	183 Å²	183	108.4 Å²	108.4	86%	0.855	59%	0.589	S	S	*	*			trans	65.2	75.2	158.1	-66	-174.1	37.5	0	0	120
1445	T	31.7	Very low	36.5	Very low	111 Å²	111	103.5 Å²	103.5	68%	0.681	56%	0.563	S	S	*	*			trans	-132	90.6	134.3	41.7	0	0	0	0	110.7
1446	A	34.6	Very low	37.7	Very low	100 Å²	100	101.2 Å²	101.2	83%	0.826	55%	0.548	S	S	*	.			trans	-75.3	147.6	174.2	0	0	0	0	0	111.8
1447	G	43.5	Very low	39.1	Very low	63 Å²	63	95.8 Å²	95.8	65%	0.649	53%	0.533	S	S	*	.	S	Bend	trans	96	-13.8	151.3	0	0	0	0	0	119.9
1448	L	38.2	Very low	40.5	Very low	125 Å²	125	92.8 Å²	92.8	65%	0.654	52%	0.52	S	S	*	.	S	Bend	trans	-117.6	-21.8	-169.3	-88.8	166.2	0	0	0	118.5	S1451 L1452	L1448-S1451 PolarHBondContact O-OG 2.88Å; L1448-S1451 VanDerWaalsContact O-OG 3.07Å; L1448-L1452 WeakPolarHBondContact O-CB 3.44Å; L1448-L1452 WeakPolarHBondContact O-CD1 3.46Å; L1448-L1452 WeakPolarHBondContact O-CG 3.47Å
1449	I	38.3	Very low	42.1	Very low	63 Å²	63	87.5 Å²	87.5	32%	0.323	50%	0.502	S	S	.	.	S	Bend	trans	-93.3	-25.3	-179.2	-56.5	171.6	0	0	0	112	L466 S1451 L1452 S1453	L466-I1449 WeakPolarHBondContact O-CG1 3.4Å; I1449-S1451 VanDerWaalsContact C-N 3.28Å; I1449-S1451 PolarHBondContact O-N 2.8Å; I1449-L1452 WeakPolarHBondContact O-CA 3.46Å; I1449-L1452 PolarHBondContact O-N 2.9Å; I1449-S1453 PolarHBondContact O-N 2.87Å; I1449-S1453 PolarHBondContact O-OG 3.27Å
1450	S	47.3	Very low	43.4	Very low	94 Å²	94	85.2 Å²	85.2	66%	0.657	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.2	176	47.3	0	0	0	0	113.8	L1452	S1450-L1452 VanDerWaalsContact C-N 3.27Å
1451	S	44.5	Very low	44.9	Very low	56 Å²	56	79.6 Å²	79.6	39%	0.392	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.1	171.5	46.6	0	0	0	0	113.4	L1448 I1449 L1455	L1448-S1451 PolarHBondContact O-OG 2.88Å; L1448-S1451 VanDerWaalsContact O-OG 3.07Å; I1449-S1451 VanDerWaalsContact C-N 3.28Å; I1449-S1451 PolarHBondContact O-N 2.8Å; S1451-L1455 WeakPolarHBondContact O-CD1 3.47Å
1452	L	50.8	Low	46.4	Very low	38 Å²	38	76 Å²	76	20%	0.199	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-56.2	-158.4	-78.6	-169	0	0	0	113.1	S464 V465 L466 L1448 I1449 S1450 L1455 F1456	S464-L1452 WeakPolarHBondContact CA-O 3.39Å; S464-L1452 WeakPolarHBondContact CB-O 3.41Å; V465-L1452 HydrophobicContact CG1-CB 4.26Å; L466-L1452 VanDerWaalsContact N-CD1 3.32Å; L1448-L1452 WeakPolarHBondContact O-CB 3.44Å; L1448-L1452 WeakPolarHBondContact O-CD1 3.46Å; L1448-L1452 WeakPolarHBondContact O-CG 3.47Å; I1449-L1452 WeakPolarHBondContact O-CA 3.46Å; I1449-L1452 PolarHBondContact O-N 2.9Å; S1450-L1452 VanDerWaalsContact C-N 3.27Å; L1452-L1455 PolarHBondContact O-N 3.43Å; L1452-F1456 PolarHBondContact O-N 3.47Å
1453	S	47.9	Very low	47.9	Very low	56 Å²	56	76.4 Å²	76.4	39%	0.392	46%	0.457	S	S	.	.	H	α-helix	trans	-69.6	-43.2	179.7	61.4	0	0	0	0	112.8	I1449 L1455 F1456 I1457	I1449-S1453 PolarHBondContact O-N 2.87Å; I1449-S1453 PolarHBondContact O-OG 3.27Å; S1453-L1455 PolarHBondContact O-N 2.88Å; S1453-L1455 VanDerWaalsContact O-N 3.08Å; S1453-F1456 PolarHBondContact O-N 2.83Å; S1453-F1456 VanDerWaalsContact O-N 3.14Å; S1453-I1457 PolarHBondContact O-N 3.27Å
1454	A	50.6	Low	49.2	Very low	51 Å²	51	74.6 Å²	74.6	42%	0.421	44%	0.443	S	S	.	.	H	α-helix	trans	-54.8	-28	171.7	0	0	0	0	0	112	M1458	A1454-M1458 WeakPolarHBondContact O-CB 3.3Å; A1454-M1458 WeakPolarHBondContact O-CG 3.42Å; A1454-M1458 PolarHBondContact O-N 3.18Å
1455	L	54.5	Low	50.5	Low	40 Å²	40	67.5 Å²	67.5	21%	0.209	41%	0.411	C	S	.	.	H	α-helix	trans	-90.3	-13.9	-177.2	-101.2	167.1	0	0	0	115.3	K462 I463 S1451 L1452 S1453 L1459	K462-L1455 HydrophobicContact CB-CD2 3.67Å; K462-L1455 HydrophobicContact CD-CD2 3.69Å; K462-L1455 HydrophobicContact CG-CD2 3.63Å; I463-L1455 HydrophobicContact CG1-CD2 4.46Å; S1451-L1455 WeakPolarHBondContact O-CD1 3.47Å; L1452-L1455 PolarHBondContact O-N 3.43Å; S1453-L1455 PolarHBondContact O-N 2.88Å; S1453-L1455 VanDerWaalsContact O-N 3.08Å; L1455-L1459 WeakPolarHBondContact O-CB 3.47Å; L1455-L1459 PolarHBondContact O-N 2.99Å
1456	F	52.7	Low	51.8	Low	104 Å²	104	66.2 Å²	66.2	46%	0.456	40%	0.399	S	S	.	.	H	α-helix	trans	-82.2	-39.6	165.9	-154.9	-113.9	0	0	0	110.6	S464 V465 L1452 S1453 L1459 L1460	S464-F1456 WeakPolarHBondContact OG-CD2 3.35Å; V465-F1456 HydrophobicContact CG2-CB 3.58Å; V465-F1456 HydrophobicContact CG2-CD2 3.68Å; V465-F1456 HydrophobicContact CG2-CG 3.81Å; L1452-F1456 PolarHBondContact O-N 3.47Å; S1453-F1456 PolarHBondContact O-N 2.83Å; S1453-F1456 VanDerWaalsContact O-N 3.14Å; F1456-L1459 CarbonylContact O-C 3.53Å; F1456-L1459 WeakPolarHBondContact O-CA 3.43Å; F1456-L1459 VanDerWaalsContact O-CB 3.29Å; F1456-L1459 WeakPolarHBondContact O-CB 3.04Å; F1456-L1459 PolarHBondContact O-N 3.46Å; F1456-L1460 HydrophobicContact CD1-CD1 4Å; F1456-L1460 HydrophobicContact CD1-CG 4.48Å; F1456-L1460 HydrophobicContact CE1-CD1 4.08Å; F1456-L1460 HydrophobicContact CE1-CG 4.48Å; F1456-L1460 PolarHBondContact O-N 3.42Å
1457	I	56.5	Low	52.4	Low	91 Å²	91	68.4 Å²	68.4	47%	0.467	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-44.6	173.3	-63.8	173.3	0	0	0	109.1	S1453 L1459 L1460 L1461	S1453-I1457 PolarHBondContact O-N 3.27Å; I1457-L1459 PolarHBondContact O-N 3.41Å; I1457-L1459 VanDerWaalsContact O-N 3.08Å; I1457-L1460 PolarHBondContact O-N 3.41Å; I1457-L1461 HydrophobicContact CG2-CD1 4.13Å; I1457-L1461 HydrophobicContact CG2-CG 4.47Å; I1457-L1461 VanDerWaalsContact O-CB 3.24Å; I1457-L1461 WeakPolarHBondContact O-CB 3.05Å; I1457-L1461 WeakPolarHBondContact O-CG 3.5Å; I1457-L1461 PolarHBondContact O-N 2.77Å
1458	M	54.1	Low	52.3	Low	85 Å²	85	69.2 Å²	69.2	42%	0.419	37%	0.371	S	S	.	.	H	α-helix	trans	-70.5	6.9	168.6	-68.2	-73.4	-74.5	0	0	114.4	A1454 L1462	A1454-M1458 WeakPolarHBondContact O-CB 3.3Å; A1454-M1458 WeakPolarHBondContact O-CG 3.42Å; A1454-M1458 PolarHBondContact O-N 3.18Å; M1458-L1462 WeakPolarHBondContact O-CB 3.3Å
1459	L	62.2	Low	52.9	Low	50 Å²	50	64.6 Å²	64.6	26%	0.262	35%	0.348	S	S	.	.	H	α-helix	trans	-109.3	-41.5	171.5	-129.1	-169.8	0	0	0	112.5	I463 L1455 F1456 I1457 L1461 L1462 S1463	I463-L1459 HydrophobicContact CB-CD1 4.43Å; I463-L1459 HydrophobicContact CD1-CD1 3.66Å; I463-L1459 HydrophobicContact CD1-CD2 4.08Å; I463-L1459 HydrophobicContact CD1-CG 3.68Å; I463-L1459 HydrophobicContact CG1-CD1 3.55Å; I463-L1459 HydrophobicContact CG1-CG 3.68Å; I463-L1459 HydrophobicContact CG2-CD1 3.9Å; L1455-L1459 WeakPolarHBondContact O-CB 3.47Å; L1455-L1459 PolarHBondContact O-N 2.99Å; F1456-L1459 CarbonylContact O-C 3.53Å; F1456-L1459 WeakPolarHBondContact O-CA 3.43Å; F1456-L1459 VanDerWaalsContact O-CB 3.29Å; F1456-L1459 WeakPolarHBondContact O-CB 3.04Å; F1456-L1459 PolarHBondContact O-N 3.46Å; I1457-L1459 PolarHBondContact O-N 3.41Å; I1457-L1459 VanDerWaalsContact O-N 3.08Å; L1459-L1461 VanDerWaalsContact C-N 3.3Å; L1459-L1462 VanDerWaalsContact C-N 3.32Å; L1459-L1462 HydrophobicContact CD2-CB 4.38Å; L1459-L1462 CarbonylContact O-C 3.52Å; L1459-L1462 WeakPolarHBondContact O-CA 3.46Å; L1459-L1462 PolarHBondContact O-N 3.12Å; L1459-S1463 WeakPolarHBondContact O-CB 3.45Å; L1459-S1463 PolarHBondContact O-N 3.28Å; L1459-S1463 PolarHBondContact O-OG 2.76Å
1460	L	55.8	Low	53.4	Low	90 Å²	90	67.4 Å²	67.4	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-50.7	166.6	-75.3	166.8	0	0	0	107.9	F1456 I1457 L1462 S1463 L1464	F1456-L1460 HydrophobicContact CD1-CD1 4Å; F1456-L1460 HydrophobicContact CD1-CG 4.48Å; F1456-L1460 HydrophobicContact CE1-CD1 4.08Å; F1456-L1460 HydrophobicContact CE1-CG 4.48Å; F1456-L1460 PolarHBondContact O-N 3.42Å; I1457-L1460 PolarHBondContact O-N 3.41Å; L1460-L1462 PolarHBondContact O-N 3.03Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.49Å; L1460-S1463 PolarHBondContact O-N 3.29Å; L1460-S1463 VanDerWaalsContact O-N 3.11Å; L1460-S1463 PolarHBondContact O-OG 2.71Å; L1460-S1463 VanDerWaalsContact O-OG 3.12Å; L1460-L1464 VanDerWaalsContact O-CB 3.23Å; L1460-L1464 WeakPolarHBondContact O-CB 3.48Å; L1460-L1464 WeakPolarHBondContact O-CD1 3.46Å; L1460-L1464 WeakPolarHBondContact O-CG 3.39Å; L1460-L1464 PolarHBondContact O-N 3.47Å
1461	L	58.9	Low	52.9	Low	9 Å²	9	71.1 Å²	71.1	5%	0.047	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-25.4	169.6	-60.9	-178.7	0	0	0	113.3	I1457 L1459 L1464 I1465 E1605 K1606	I1457-L1461 HydrophobicContact CG2-CD1 4.13Å; I1457-L1461 HydrophobicContact CG2-CG 4.47Å; I1457-L1461 VanDerWaalsContact O-CB 3.24Å; I1457-L1461 WeakPolarHBondContact O-CB 3.05Å; I1457-L1461 WeakPolarHBondContact O-CG 3.5Å; I1457-L1461 PolarHBondContact O-N 2.77Å; L1459-L1461 VanDerWaalsContact C-N 3.3Å; L1461-L1464 HydrophobicContact CD2-CD1 4.38Å; L1461-I1465 WeakPolarHBondContact O-CB 3.48Å; L1461-I1465 VanDerWaalsContact O-CD1 3.27Å; L1461-I1465 WeakPolarHBondContact O-CD1 3.38Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.39Å; L1461-I1465 PolarHBondContact O-N 3.1Å; L1461-I1465 VanDerWaalsContact O-N 3.11Å; L1461-E1605 HydrophobicContact CD2-CB 3.71Å; L1461-E1605 HydrophobicContact CD2-CG 4.42Å; L1461-K1606 HydrophobicContact CD1-CB 4.33Å; L1461-K1606 HydrophobicContact CD1-CD 3.45Å; L1461-K1606 VanDerWaalsContact CD1-CD 3.45Å; L1461-K1606 VanDerWaalsContact CD1-CE 3.49Å; L1461-K1606 HydrophobicContact CD1-CG 3.84Å
1462	L	61.3	Low	52.4	Low	43 Å²	43	71.6 Å²	71.6	23%	0.225	36%	0.358	C	S	.	.	H	α-helix	trans	-81.7	-24.7	173.2	-128.3	76.4	0	0	0	115.1	K462 M1458 L1459 L1460 I1465 I1466	K462-L1462 HydrophobicContact CD-CD2 4.1Å; K462-L1462 VanDerWaalsContact NZ-CD2 3.29Å; M1458-L1462 WeakPolarHBondContact O-CB 3.3Å; L1459-L1462 VanDerWaalsContact C-N 3.32Å; L1459-L1462 HydrophobicContact CD2-CB 4.38Å; L1459-L1462 CarbonylContact O-C 3.52Å; L1459-L1462 WeakPolarHBondContact O-CA 3.46Å; L1459-L1462 PolarHBondContact O-N 3.12Å; L1460-L1462 PolarHBondContact O-N 3.03Å; L1462-I1465 HydrophobicContact CD1-CD1 4.17Å; L1462-I1465 HydrophobicContact CD1-CG2 4.34Å; L1462-I1465 HydrophobicContact CG-CG2 4.03Å; L1462-I1465 VanDerWaalsContact O-CB 3.28Å; L1462-I1465 WeakPolarHBondContact O-CB 3.46Å; L1462-I1465 WeakPolarHBondContact O-CG2 3.36Å; L1462-I1466 WeakPolarHBondContact O-CD1 3.41Å; L1462-I1466 VanDerWaalsContact O-CG1 3.31Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.45Å; L1462-I1466 PolarHBondContact O-N 2.71Å
1463	S	62.6	Low	51.7	Low	62 Å²	62	79.2 Å²	79.2	43%	0.434	38%	0.384	S	S	.	.	H	α-helix	trans	-95.1	-37.8	-175.1	51.6	0	0	0	0	111.4	L1459 L1460 I1466 Y1467	L1459-S1463 WeakPolarHBondContact O-CB 3.45Å; L1459-S1463 PolarHBondContact O-N 3.28Å; L1459-S1463 PolarHBondContact O-OG 2.76Å; L1460-S1463 WeakPolarHBondContact CA-OG 3.49Å; L1460-S1463 PolarHBondContact O-N 3.29Å; L1460-S1463 VanDerWaalsContact O-N 3.11Å; L1460-S1463 PolarHBondContact O-OG 2.71Å; L1460-S1463 VanDerWaalsContact O-OG 3.12Å; S1463-I1466 PolarHBondContact O-N 2.69Å; S1463-Y1467 PolarHBondContact O-N 3.29Å
1464	L	55.7	Low	51	Low	52 Å²	52	80.6 Å²	80.6	27%	0.272	39%	0.394	S	S	.	.	H	α-helix	trans	-52.6	-49.4	154	-62.4	167.1	0	0	0	108.5	L1460 L1461 I1466 Y1467 D1603 E1604	L1460-L1464 VanDerWaalsContact O-CB 3.23Å; L1460-L1464 WeakPolarHBondContact O-CB 3.48Å; L1460-L1464 WeakPolarHBondContact O-CD1 3.46Å; L1460-L1464 WeakPolarHBondContact O-CG 3.39Å; L1460-L1464 PolarHBondContact O-N 3.47Å; L1461-L1464 HydrophobicContact CD2-CD1 4.38Å; L1464-I1466 PolarHBondContact O-N 2.87Å; L1464-Y1467 WeakPolarHBondContact O-CA 3.35Å; L1464-Y1467 WeakPolarHBondContact O-CB 3.45Å; L1464-Y1467 PolarHBondContact O-N 2.96Å; L1464-D1603 CarbonylContact C-O 3.56Å; L1464-D1603 WeakPolarHBondContact O-CB 3.49Å; L1464-E1604 HydrophobicContact CB-CB 3.88Å; L1464-E1604 HydrophobicContact CB-CG 4.13Å; L1464-E1604 HydrophobicContact CD1-CB 4.07Å; L1464-E1604 HydrophobicContact CD1-CG 4.4Å; L1464-E1604 WeakPolarHBondContact CD1-OE2 3.29Å; L1464-E1604 HydrophobicContact CD2-CG 4.37Å; L1464-E1604 HydrophobicContact CG-CB 4.46Å
1465	I	59.7	Low	49.9	Very low	35 Å²	35	87.3 Å²	87.3	18%	0.179	41%	0.413	C	S	.	.	H	α-helix	trans	-45.2	-60.1	172.8	-95.6	170.1	0	0	0	111	L1461 L1462 Y1467 W1468 M1602 D1603	L1461-I1465 WeakPolarHBondContact O-CB 3.48Å; L1461-I1465 VanDerWaalsContact O-CD1 3.27Å; L1461-I1465 WeakPolarHBondContact O-CD1 3.38Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.39Å; L1461-I1465 PolarHBondContact O-N 3.1Å; L1461-I1465 VanDerWaalsContact O-N 3.11Å; L1462-I1465 HydrophobicContact CD1-CD1 4.17Å; L1462-I1465 HydrophobicContact CD1-CG2 4.34Å; L1462-I1465 HydrophobicContact CG-CG2 4.03Å; L1462-I1465 VanDerWaalsContact O-CB 3.28Å; L1462-I1465 WeakPolarHBondContact O-CB 3.46Å; L1462-I1465 WeakPolarHBondContact O-CG2 3.36Å; I1465-Y1467 PolarHBondContact O-N 2.81Å; I1465-W1468 PolarHBondContact O-N 3.05Å; I1465-M1602 HydrophobicContact CB-CB 3.55Å; I1465-M1602 HydrophobicContact CB-CG 4.48Å; I1465-M1602 HydrophobicContact CG1-CB 3.77Å; I1465-M1602 HydrophobicContact CG2-CB 3.28Å; I1465-M1602 HydrophobicContact CG2-CG 3.91Å; I1465-M1602 HydrophobicContact CG2-SD 3.43Å; I1465-M1602 WeakPolarHBondContact CG2-SD 3.39Å; I1465-M1602 WeakPolarHBondContact O-CB 3.37Å; I1465-M1602 WeakPolarHBondContact O-CG 2.74Å; I1465-D1603 VanDerWaalsContact CA-O 3.26Å; I1465-D1603 WeakPolarHBondContact CA-O 3.31Å; I1465-D1603 VanDerWaalsContact CG1-O 3.26Å; I1465-D1603 WeakPolarHBondContact CG1-O 3.13Å; I1465-D1603 PolarHBondContact N-O 2.88Å; I1465-D1603 PolarHBondContact O-N 3.2Å
1466	I	57.8	Low	48.6	Very low	84 Å²	84	93.9 Å²	93.9	43%	0.431	44%	0.437	S	S	.	.	H	α-helix	trans	-56.6	-25.8	-176.7	-71.6	160.2	0	0	0	113.5	L1462 S1463 L1464 T1469 I1470 M1602	L1462-I1466 WeakPolarHBondContact O-CD1 3.41Å; L1462-I1466 VanDerWaalsContact O-CG1 3.31Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.45Å; L1462-I1466 PolarHBondContact O-N 2.71Å; S1463-I1466 PolarHBondContact O-N 2.69Å; L1464-I1466 PolarHBondContact O-N 2.87Å; I1466-T1469 PolarHBondContact O-OG1 3.45Å; I1466-I1470 HydrophobicContact CG2-CD1 3.95Å; I1466-I1470 WeakPolarHBondContact O-CG1 3.43Å; I1466-M1602 HydrophobicContact CB-CE 4.46Å; I1466-M1602 HydrophobicContact CB-SD 4.39Å; I1466-M1602 HydrophobicContact CG1-CE 3.96Å; I1466-M1602 HydrophobicContact CG1-SD 3.79Å
1467	Y	48	Very low	47.5	Very low	146 Å²	146	95.1 Å²	95.1	57%	0.573	45%	0.447	S	S	*	.	H	α-helix	trans	-61.9	-45.3	178.1	-159.4	-117.8	0	0	0	114.1	S1463 L1464 I1465 T1469 I1470 Y1471	S1463-Y1467 PolarHBondContact O-N 3.29Å; L1464-Y1467 WeakPolarHBondContact O-CA 3.35Å; L1464-Y1467 WeakPolarHBondContact O-CB 3.45Å; L1464-Y1467 PolarHBondContact O-N 2.96Å; I1465-Y1467 PolarHBondContact O-N 2.81Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; Y1467-I1470 PolarHBondContact O-N 2.86Å; Y1467-I1470 VanDerWaalsContact O-N 3.17Å; Y1467-Y1471 PolarHBondContact O-N 3.21Å
1468	W	41.9	Very low	46.1	Very low	79 Å²	79	101.7 Å²	101.7	30%	0.299	47%	0.466	S	S	.	.	H	α-helix	trans	-61.5	-45.8	-175.7	-135.6	25.5	0	0	0	111.7	I1465 I1470 Y1471 K1472 M1586 D1603	I1465-W1468 PolarHBondContact O-N 3.05Å; W1468-I1470 PolarHBondContact O-N 2.98Å; W1468-Y1471 CarbonylContact O-C 3.58Å; W1468-Y1471 PolarHBondContact O-N 3.43Å; W1468-Y1471 VanDerWaalsContact O-N 3.07Å; W1468-K1472 HydrophobicContact CD2-CD 3.78Å; W1468-K1472 HydrophobicContact CE3-CD 4.34Å; W1468-K1472 HydrophobicContact CG-CB 4.42Å; W1468-K1472 HydrophobicContact CG-CD 3.97Å; W1468-K1472 HydrophobicContact CZ2-CD 4.46Å; W1468-K1472 WeakPolarHBondContact O-CA 3.49Å; W1468-K1472 WeakPolarHBondContact O-CB 3.14Å; W1468-K1472 PolarHBondContact O-N 2.95Å; W1468-M1586 HydrophobicContact CH2-SD 4.48Å; W1468-M1586 HydrophobicContact CZ2-CE 4.49Å; W1468-M1586 HydrophobicContact CZ2-SD 3.77Å; W1468-D1603 VanDerWaalsContact CA-OD2 3.24Å; W1468-D1603 WeakPolarHBondContact CA-OD2 3.36Å; W1468-D1603 HydrophobicContact CB-CB 3.45Å; W1468-D1603 VanDerWaalsContact CB-CB 3.45Å; W1468-D1603 VanDerWaalsContact CB-CG 3.41Å; W1468-D1603 WeakPolarHBondContact CB-OD2 3.3Å; W1468-D1603 HydrophobicContact CD2-CB 4.5Å; W1468-D1603 HydrophobicContact CG-CB 3.85Å; W1468-D1603 PolarHBondContact N-OD2 3.03Å; W1468-D1603 PolarHBondContact NE1-OD1 2.81Å
1469	T	50.9	Low	44.8	Very low	29 Å²	29	103.7 Å²	103.7	18%	0.178	48%	0.477	C	S	.	.	H	α-helix	trans	-72.7	-12	-173.9	51.2	0	0	0	0	113.1	I1466 Y1467 R1473 M1602	I1466-T1469 PolarHBondContact O-OG1 3.45Å; Y1467-T1469 PolarHBondContact O-N 2.84Å; T1469-R1473 WeakPolarHBondContact O-CB 3.46Å; T1469-M1602 HydrophobicContact CG2-CB 4.4Å; T1469-M1602 HydrophobicContact CG2-CE 4.28Å; T1469-M1602 HydrophobicContact CG2-CG 3.38Å; T1469-M1602 WeakPolarHBondContact OG1-CE 3.44Å; T1469-M1602 VanDerWaalsContact OG1-CG 3.31Å; T1469-M1602 WeakPolarHBondContact OG1-CG 3.4Å
1470	I	47.1	Very low	43.2	Very low	122 Å²	122	108.2 Å²	108.2	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-86.6	-42.3	168.2	-61.1	173.5	0	0	0	109.2	I1466 Y1467 W1468	I1466-I1470 HydrophobicContact CG2-CD1 3.95Å; I1466-I1470 WeakPolarHBondContact O-CG1 3.43Å; Y1467-I1470 PolarHBondContact O-N 2.86Å; Y1467-I1470 VanDerWaalsContact O-N 3.17Å; W1468-I1470 PolarHBondContact O-N 2.98Å
1471	Y	36.8	Very low	41.7	Very low	172 Å²	172	111 Å²	111	68%	0.675	51%	0.507	S	S	*	.	H	α-helix	trans	-77.8	-24.6	-179	-160.7	-109.8	0	0	0	115.5	Y1467 W1468	Y1467-Y1471 PolarHBondContact O-N 3.21Å; W1468-Y1471 CarbonylContact O-C 3.58Å; W1468-Y1471 PolarHBondContact O-N 3.43Å; W1468-Y1471 VanDerWaalsContact O-N 3.07Å
1472	K	34.4	Very low	40	Very low	65 Å²	65	119.7 Å²	119.7	28%	0.283	54%	0.541	S	S	.	.	S	Bend	trans	-108.4	0.4	-168.1	-145.9	176.3	-164.2	170.2	0	114.3	W1468 M1586 N1587	W1468-K1472 HydrophobicContact CD2-CD 3.78Å; W1468-K1472 HydrophobicContact CE3-CD 4.34Å; W1468-K1472 HydrophobicContact CG-CB 4.42Å; W1468-K1472 HydrophobicContact CG-CD 3.97Å; W1468-K1472 HydrophobicContact CZ2-CD 4.46Å; W1468-K1472 WeakPolarHBondContact O-CA 3.49Å; W1468-K1472 WeakPolarHBondContact O-CB 3.14Å; W1468-K1472 PolarHBondContact O-N 2.95Å; K1472-M1586 PolarHBondContact NZ-SD 3.03Å; K1472-N1587 WeakPolarHBondContact CE-OD1 3.39Å; K1472-N1587 WeakPolarHBondContact CG-OD1 3.47Å
1473	R	37.2	Very low	38.3	Very low	199 Å²	199	123.7 Å²	123.7	75%	0.751	56%	0.562	S	S	*	*	S	Bend	trans	-111.4	28.8	-171	-154.2	173.9	-175	170.6	1.9	114.1	T1469	T1469-R1473 WeakPolarHBondContact O-CB 3.46Å
1474	S	32	Very low	36.5	Very low	85 Å²	85	125.6 Å²	125.6	59%	0.594	57%	0.571	S	S	*	*			trans	-139.9	29.9	-174.6	58	0	0	0	0	116.6
1475	K	27	Very low	35	Very low	191 Å²	191	129 Å²	129	83%	0.83	60%	0.595	S	S	*	*			trans	-136.5	116.4	152.4	-89.2	-168.6	172.8	178.2	0	108.1
1476	Y	28.9	Very low	33.4	Very low	179 Å²	179	133.9 Å²	133.9	70%	0.702	62%	0.619	S	S	*	*			cis	57.9	126.4	19.2	-69.1	-84.5	0	0	0	112.4
1477	I	29.4	Very low	31.7	Very low	130 Å²	130	135.9 Å²	135.9	67%	0.667	63%	0.631	S	S	*	*			cis	-130.4	134.3	16	-78.4	100.1	0	0	0	106.9	I1479	I1477-I1479 HydrophobicContact CG2-CD1 3.76Å; I1477-I1479 HydrophobicContact CG2-CG1 4.03Å
1478	R	25.8	Very low	30.7	Very low	228 Å²	228	134.8 Å²	134.8	86%	0.86	64%	0.64	S	S	*	*				65.4	174.3	70.5	-131	-170.4	-161.2	-166.1	6.8	113
1479	I	26.8	Very low	30	Very low	127 Å²	127	136 Å²	136	65%	0.651	66%	0.656	S	S	*	*			trans	76.2	127.4	175.7	-62.1	170.4	0	0	0	112.4	I1477	I1477-I1479 HydrophobicContact CG2-CD1 3.76Å; I1477-I1479 HydrophobicContact CG2-CG1 4.03Å
1480	E	28.6	Very low	28.9	Very low	146 Å²	146	141 Å²	141	68%	0.682	68%	0.682	S	S	*	*			cis	-154.8	135.1	-1.4	-111.8	167.2	-166.2	0	0	107.7
1481	Q	24.6	Very low	28	Very low	147 Å²	147	141.5 Å²	141.5	69%	0.687	69%	0.686	S	S	*	*				91	140.6	77.4	-92.1	-167.8	7	0	0	116
1482	Y	24.7	Very low	27.5	Very low	193 Å²	193	139 Å²	139	76%	0.757	69%	0.689	S	S	*	*			trans	65.3	137.9	157.5	-79.3	-118.6	0	0	0	115.6
1483	D	24.9	Very low	27.3	Very low	126 Å²	126	141 Å²	141	67%	0.674	71%	0.706	S	S	*	*				89.7	149.5	54.8	-160.2	10.4	0	0	0	112.8
1484	T	24.9	Very low	26.9	Very low	102 Å²	102	138 Å²	138	63%	0.626	71%	0.706	S	S	*	*			trans	65.9	118.9	171.4	60.4	0	0	0	0	121.3
1485	T	23.7	Very low	26.8	Very low	125 Å²	125	139.4 Å²	139.4	77%	0.767	71%	0.71	S	S	*	*			trans	69.7	161	136.9	65.8	0	0	0	0	120.2
1486	I	25.4	Very low	26.8	Very low	136 Å²	136	137 Å²	137	70%	0.697	71%	0.712	S	S	*	*			cis	-155.7	155.7	-20.4	-108.8	164.9	0	0	0	109.4
1487	N	23.8	Very low	27	Very low	126 Å²	126	132 Å²	132	67%	0.674	71%	0.714	S	S	*	*			trans	-0.6	169.1	161.8	-50.6	-31.5	0	0	0	124.3
1488	T	26.9	Very low	27	Very low	123 Å²	123	132 Å²	132	76%	0.755	72%	0.721	S	S	*	*			trans	70.1	160.7	154.1	60.3	0	0	0	0	118.9
1489	T	27.1	Very low	27.2	Very low	106 Å²	106	127.5 Å²	127.5	65%	0.65	71%	0.714	S	S	*	*			cis	-157.1	148.2	-37.9	26.9	0	0	0	0	109.4
1490	D	26.4	Very low	27.3	Very low	132 Å²	132	127.6 Å²	127.6	71%	0.706	72%	0.716	S	S	*	*			trans	39	144.8	135	-44.5	-20.9	0	0	0	125.1
1491	N	28.1	Very low	27.3	Very low	133 Å²	133	126.8 Å²	126.8	71%	0.711	72%	0.716	S	S	*	*			trans	83.5	128.6	133.6	-77.8	-16.6	0	0	0	124.7
1492	T	28.2	Very low	27.5	Very low	121 Å²	121	126 Å²	126	74%	0.742	72%	0.717	S	S	*	*			trans	71.5	150.9	136.7	60.1	0	0	0	0	119.6
1493	T	28.6	Very low	27.9	Very low	106 Å²	106	123.1 Å²	123.1	65%	0.65	71%	0.714	S	S	*	*			cis	-169.4	160.6	-5.4	18.5	0	0	0	0	112.3
1494	N	28.6	Very low	28.1	Very low	137 Å²	137	123 Å²	123	73%	0.733	71%	0.714	S	S	*	*			trans	67.5	156.2	145.6	-65.5	-2.1	0	0	0	120.1
1495	T	30.3	Very low	28.2	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	72%	0.724	S	S	*	*			cis	-163.2	143.2	-10	18.5	0	0	0	0	113.4
1496	T	28.1	Very low	28.5	Very low	141 Å²	141	125 Å²	125	87%	0.865	72%	0.724	S	S	*	*			trans	30.2	139.9	144.3	60.4	0	0	0	0	125.3
1497	G	32.5	Very low	28.7	Very low	73 Å²	73	125.3 Å²	125.3	75%	0.753	73%	0.727	S	S	*	*			trans	-179.4	154.7	159.4	0	0	0	0	0	113.6
1498	T	28.7	Very low	28.9	Very low	131 Å²	131	128 Å²	128	80%	0.804	73%	0.733	S	S	*	*			trans	-146.9	168.7	-167	55	0	0	0	0	117
1499	N	30	Very low	28.9	Very low	134 Å²	134	127.5 Å²	127.5	72%	0.717	73%	0.734	S	S	*	*			trans	97.2	126.3	152.7	-67.3	-0.5	0	0	0	123.5
1500	N	29.9	Very low	28.9	Very low	129 Å²	129	127.6 Å²	127.6	69%	0.69	74%	0.738	S	S	*	*			trans	76.3	120.2	131.4	-64.1	6.6	0	0	0	125.5
1501	N	28.5	Very low	28.8	Very low	128 Å²	128	127.3 Å²	127.3	68%	0.684	73%	0.731	S	S	*	*				77	127.5	124.7	-66.3	7.8	0	0	0	124.9
1502	N	29	Very low	28.8	Very low	132 Å²	132	127 Å²	127	71%	0.706	73%	0.728	S	S	*	*			trans	85.3	139.3	132.8	-69.7	0.4	0	0	0	123.8
1503	N	31.6	Very low	28.7	Very low	132 Å²	132	125.7 Å²	125.7	71%	0.706	72%	0.724	S	S	*	*			trans	87.7	114.5	140.6	-72.7	-15.8	0	0	0	123.4
1504	N	29.8	Very low	28.5	Very low	123 Å²	123	127.7 Å²	127.7	66%	0.658	73%	0.73	S	S	*	*				75.8	126.4	126.5	-79.8	-54.6	0	0	0	123.5
1505	K	27.2	Very low	28.5	Very low	196 Å²	196	127.9 Å²	127.9	85%	0.852	73%	0.731	S	S	*	*			trans	61.5	130	136.8	-63.1	175.5	179.9	-178.7	0	120.5
1506	G	29.2	Very low	28.3	Very low	74 Å²	74	131.2 Å²	131.2	76%	0.763	74%	0.735	S	S	*	*			trans	166.2	100.6	149.4	0	0	0	0	0	118.8
1507	N	29.8	Very low	28.2	Very low	142 Å²	142	132.1 Å²	132.1	76%	0.759	73%	0.733	S	S	*	*			trans	27.1	121.7	144.6	-74.9	-43.4	0	0	0	122.6
1508	K	28.3	Very low	27.8	Very low	181 Å²	181	132.9 Å²	132.9	79%	0.787	73%	0.726	S	S	*	*				62.7	133.4	123.7	-60	-178.3	-179.9	-174.8	0	121.8
1509	S	28.1	Very low	27.5	Very low	113 Å²	113	134 Å²	134	79%	0.79	72%	0.722	S	S	*	*			trans	88.4	120.8	144.4	72.8	0	0	0	0	120.9
1510	C	26	Very low	27.2	Very low	109 Å²	109	134.7 Å²	134.7	74%	0.736	72%	0.719	S	S	*	*			trans	58.9	110.8	136.6	-63.9	0	0	0	0	123.4
1511	F	24.3	Very low	27	Very low	126 Å²	126	137.3 Å²	137.3	55%	0.553	73%	0.725	S	S	*	*				80.4	143.1	125.1	-87.7	-100	0	0	0	122.3	A1944 T1945	F1511-A1944 VanDerWaalsContact CE1-C 3.5Å; F1511-A1944 HydrophobicContact CE1-CB 4.32Å; F1511-A1944 WeakPolarHBondContact CE1-O 3.22Å; F1511-A1944 VanDerWaalsContact CZ-O 3.29Å; F1511-A1944 WeakPolarHBondContact CZ-O 3.34Å; F1511-T1945 HydrophobicContact CE1-CG2 3.38Å; F1511-T1945 HydrophobicContact CZ-CG2 3.44Å; F1511-T1945 VanDerWaalsContact CZ-CG2 3.44Å
1512	I	27.4	Very low	26.8	Very low	126 Å²	126	141.8 Å²	141.8	65%	0.646	73%	0.732	S	S	*	*			trans	67.7	93.6	161.7	-61.4	173.8	0	0	0	116.7
1513	S	26.4	Very low	26.6	Very low	94 Å²	94	140.4 Å²	140.4	66%	0.657	73%	0.729	S	S	*	*				58.5	140	121.6	-60	0	0	0	0	123.7
1514	L	25.8	Very low	26.2	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	74%	0.737	S	S	*	*			trans	69	99.6	140.7	-73	166.6	0	0	0	119.5
1515	N	27.6	Very low	26.1	Very low	140 Å²	140	140.8 Å²	140.8	75%	0.749	74%	0.742	S	S	*	*				44.3	89.1	118.2	-80.4	-36.1	0	0	0	117.3
1516	K	26.9	Very low	26	Very low	183 Å²	183	141.3 Å²	141.3	80%	0.796	75%	0.745	S	S	*	*				-174.3	136.8	102.3	-93.6	148.9	-172.5	171.3	0	111.7
1517	I	25.1	Very low	25.8	Very low	160 Å²	160	143.2 Å²	143.2	82%	0.821	74%	0.743	S	S	*	*				-171.9	106.5	123.1	-92.5	150.2	0	0	0	103.2
1518	C	23.1	Very low	25.5	Very low	90 Å²	90	144.3 Å²	144.3	61%	0.608	74%	0.744	S	S	*	*				61.6	139.2	69.5	-60.5	0	0	0	0	112.3
1519	E	24	Very low	25.2	Very low	153 Å²	153	142 Å²	142	72%	0.715	74%	0.739	S	S	*	*			trans	47.6	105.7	152.7	-66.1	-173.2	-171.3	0	0	117.7
1520	K	23.4	Very low	25	Very low	149 Å²	149	140.6 Å²	140.6	65%	0.648	73%	0.726	S	S	*	*			cis	-173.3	-172.4	48.8	-84.9	123.7	175.1	143.1	0	108.7
1521	F	25	Very low	25	Very low	184 Å²	184	139.5 Å²	139.5	81%	0.807	71%	0.712	S	S	*	*			trans	71.6	130.1	164.4	-57.2	-71.6	0	0	0	114.7
1522	W	25.4	Very low	25	Very low	222 Å²	222	139.7 Å²	139.7	84%	0.841	71%	0.713	S	S	*	*			cis	-135.6	161.7	-6.3	-92	21.8	0	0	0	107.3
1523	T	24.8	Very low	25	Very low	104 Å²	104	141.3 Å²	141.3	64%	0.638	72%	0.715	S	S	*	*			cis	-159	165.1	-23.7	26.7	0	0	0	0	109.6
1524	Q	23.4	Very low	25.1	Very low	188 Å²	188	144.2 Å²	144.2	88%	0.879	72%	0.716	S	S	*	*			trans	-30.5	153.7	163.4	-56	154.1	10.3	0	0	115.9
1525	G	26.1	Very low	25.2	Very low	75 Å²	75	144.1 Å²	144.1	77%	0.773	71%	0.709	S	S	*	*			cis	172.6	-163.3	3.8	0	0	0	0	0	114.1
1526	K	25.1	Very low	25.2	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.896	71%	0.705	S	S	*	*			trans	-63.8	163.5	171.4	-61	178.5	-178.1	178	0	110.9
1527	P	25.4	Very low	25.3	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	69%	0.691	S	S	*	*			cis	-148.4	169.1	25.4	44.6	-24.8	0	0	0	119.9
1528	Q	23.5	Very low	25.5	Very low	166 Å²	166	142.6 Å²	142.6	78%	0.776	69%	0.692	S	S	*	*			trans	9.9	153.2	135.4	-55.1	-172.5	-31.4	0	0	123.4
1529	L	23.1	Very low	25.8	Very low	131 Å²	131	144.6 Å²	144.6	69%	0.686	70%	0.696	S	S	*	*			trans	82.5	130.7	141.2	-77.5	157.4	0	0	0	119.8
1530	V	23	Very low	26	Very low	85 Å²	85	146.2 Å²	146.2	52%	0.515	70%	0.701	S	S	.	*				91.1	104.5	128.5	153	0	0	0	0	119.3
1531	I	25.3	Very low	26.3	Very low	86 Å²	86	144.9 Å²	144.9	44%	0.441	70%	0.697	S	S	.	*				76	129.7	117.4	-82.2	175.4	0	0	0	115.8
1532	K	25.5	Very low	26.6	Very low	129 Å²	129	143.3 Å²	143.3	56%	0.561	69%	0.69	S	S	*	*			cis	-177.4	158.7	23.7	-116	174.3	-145.7	112.2	0	109.9
1533	K	27.6	Very low	26.8	Very low	161 Å²	161	142 Å²	142	70%	0.7	69%	0.685	S	S	*	*			trans	67.4	153.1	143.6	-69.4	167.2	173	169.7	0	116.7
1534	K	28.1	Very low	27	Very low	154 Å²	154	145.3 Å²	145.3	67%	0.67	69%	0.69	S	S	*	*			cis	-172.9	157.3	-13.8	-114.6	178.2	-175.9	-174.8	0	108.9
1535	K	27.3	Very low	27.3	Very low	146 Å²	146	145.1 Å²	145.1	64%	0.635	69%	0.687	S	S	*	*			trans	71.3	158.6	147.4	-77.8	175.9	167.5	-173.3	0	115.1
1536	K	27.5	Very low	27.3	Very low	153 Å²	153	145.5 Å²	145.5	67%	0.665	68%	0.678	S	S	*	*			cis	-151.5	133.8	15.3	-145.4	165.4	174.3	-169.6	0	116.2
1537	E	29.9	Very low	27.5	Very low	107 Å²	107	144.5 Å²	144.5	50%	0.5	67%	0.673	S	S	.	*			trans	13.8	123.8	138.6	-44.5	142.6	-145.4	0	0	119.4
1538	K	29.8	Very low	27.6	Very low	191 Å²	191	144.1 Å²	144.1	83%	0.83	67%	0.669	S	S	*	*				-176.3	125.2	109.4	-91.9	150.4	-175.7	-179.3	0	110.1
1539	N	28.2	Very low	27.7	Very low	133 Å²	133	144 Å²	144	71%	0.711	67%	0.666	S	S	*	*				79.2	100.4	58.1	-72.1	-38.1	0	0	0	114.8
1540	K	28.7	Very low	27.8	Very low	187 Å²	187	142.7 Å²	142.7	81%	0.813	66%	0.664	S	S	*	*				-169.7	109.7	115.1	-98	161.1	-179.2	-176.4	0	108.8
1541	E	30.1	Very low	28	Very low	121 Å²	121	145.5 Å²	145.5	57%	0.565	68%	0.675	S	S	*	*				87.3	135.7	102.5	-75.3	-157.2	130.8	0	0	113.4
1542	K	30.1	Very low	28.1	Very low	151 Å²	151	144.7 Å²	144.7	66%	0.657	68%	0.681	S	S	*	*			cis	-142.4	125.5	4	-102.2	138.7	174	141	0	108.3
1543	R	29.4	Very low	28.2	Very low	193 Å²	193	144.9 Å²	144.9	73%	0.728	69%	0.693	S	S	*	*				64.1	120.8	88.2	-81.7	171	158.6	-176.6	-6	112.7
1544	K	29.6	Very low	28.2	Very low	174 Å²	174	145.3 Å²	145.3	76%	0.757	69%	0.694	S	S	*	*			cis	-171.3	168.4	48.2	-88.4	128.8	174	-174.3	0	107.4
1545	K	29.4	Very low	28.2	Very low	185 Å²	185	143.8 Å²	143.8	80%	0.804	69%	0.694	S	S	*	*			cis	-176	167.4	0.1	-113.4	178.2	174.3	-166.6	0	105.7
1546	S	27.5	Very low	28.4	Very low	83 Å²	83	143.4 Å²	143.4	58%	0.58	69%	0.694	S	S	*	*			cis	-163.3	138.7	-9.9	-144.5	0	0	0	0	105.9
1547	K	28.3	Very low	28.4	Very low	184 Å²	184	146.2 Å²	146.2	80%	0.8	70%	0.7	S	S	*	*				45.2	146.7	90.5	-44.3	-175.3	175.1	-166.3	0	115.9
1548	T	27.2	Very low	28.3	Very low	107 Å²	107	144.7 Å²	144.7	66%	0.656	70%	0.701	S	S	*	*			cis	-149.7	-152.4	14.1	-15	0	0	0	0	108.5
1549	F	25.9	Very low	28.2	Very low	163 Å²	163	141.6 Å²	141.6	72%	0.715	69%	0.692	S	S	*	*			cis	-151.6	116.5	8.2	-143	-81	0	0	0	108.3	I1551	F1549-I1551 HydrophobicContact CD1-CD1 4.42Å; F1549-I1551 HydrophobicContact CE1-CD1 3.82Å; F1549-I1551 HydrophobicContact CE1-CG1 4.45Å
1550	T	25.6	Very low	28.2	Very low	103 Å²	103	141.7 Å²	141.7	63%	0.632	69%	0.692	S	S	*	*				59.2	142.4	89.4	-10.6	0	0	0	0	117.9
1551	I	27	Very low	28.1	Very low	145 Å²	145	138 Å²	138	74%	0.744	68%	0.681	S	S	*	*			trans	88.9	137.6	164.5	-57.3	167.9	0	0	0	115.5	F1549	F1549-I1551 HydrophobicContact CD1-CD1 4.42Å; F1549-I1551 HydrophobicContact CE1-CD1 3.82Å; F1549-I1551 HydrophobicContact CE1-CG1 4.45Å
1552	A	27.5	Very low	28	Very low	69 Å²	69	142.2 Å²	142.2	57%	0.57	69%	0.694	S	S	*	*			cis	-173.1	169.9	-28.3	0	0	0	0	0	110.3
1553	T	28.2	Very low	28	Very low	132 Å²	132	141.8 Å²	141.8	81%	0.81	69%	0.692	S	S	*	*			trans	65.6	155.3	152.6	44.2	0	0	0	0	119.2
1554	K	26.3	Very low	27.9	Very low	170 Å²	170	138.5 Å²	138.5	74%	0.739	69%	0.689	S	S	*	*			cis	-178	174.8	-29.4	-147.8	179.7	-179.3	-173.6	0	107.5
1555	N	29.8	Very low	28	Very low	123 Å²	123	135.9 Å²	135.9	66%	0.658	68%	0.683	S	S	*	*			trans	69.9	155.1	159.1	-61	-9.8	0	0	0	115.5
1556	H	31	Very low	27.9	Very low	138 Å²	138	134.2 Å²	134.2	64%	0.639	68%	0.678	S	S	*	*			cis	-166.2	149.3	-27.8	-122.7	-52.5	0	0	0	109.3
1557	R	27.4	Very low	27.9	Very low	212 Å²	212	136.4 Å²	136.4	80%	0.8	68%	0.682	S	S	*	*			trans	67.4	161.5	147.9	-80.2	169.5	179.4	174.8	-1.6	116.9
1558	S	26.9	Very low	27.8	Very low	74 Å²	74	133.9 Å²	133.9	52%	0.517	68%	0.676	S	S	.	*			cis	179.6	-170.5	-30.2	54	0	0	0	0	108.5
1559	I	28	Very low	27.7	Very low	126 Å²	126	135.9 Å²	135.9	65%	0.646	68%	0.676	S	S	*	*			trans	75.6	130.9	158.1	-67.1	158.2	0	0	0	114.5	Y1665	I1559-Y1665 WeakPolarHBondContact O-CD1 3.3Å
1560	L	27.7	Very low	27.7	Very low	135 Å²	135	133.9 Å²	133.9	71%	0.707	67%	0.669	S	S	*	*			cis	-160.2	169.8	-18.3	-151.7	80.1	0	0	0	110.7
1561	N	27.5	Very low	27.6	Very low	109 Å²	109	136.6 Å²	136.6	58%	0.583	67%	0.672	S	S	*	*			trans	-25.9	146.4	161.8	-46.8	-39	0	0	0	117.3
1562	Y	27.7	Very low	27.6	Very low	210 Å²	210	136.4 Å²	136.4	82%	0.824	67%	0.672	S	S	*	*				-155.3	113.5	98.7	-108	-87.2	0	0	0	108.2
1563	K	29.3	Very low	27.4	Very low	142 Å²	142	140.1 Å²	140.1	62%	0.617	68%	0.681	S	S	*	*				78.3	121.7	65.8	-101.6	-163.5	170.5	-173.7	0	115.2
1564	N	29	Very low	27.2	Very low	124 Å²	124	143.1 Å²	143.1	66%	0.663	68%	0.684	S	S	*	*			trans	67.7	153.8	142.2	-69.3	32.1	0	0	0	117.7
1565	N	30.1	Very low	27.1	Very low	119 Å²	119	143.4 Å²	143.4	64%	0.636	69%	0.687	S	S	*	*			cis	-129.6	152.7	-5.2	-97.2	-20.6	0	0	0	107.8
1566	Q	28.9	Very low	26.9	Very low	151 Å²	151	142.2 Å²	142.2	71%	0.706	69%	0.686	S	S	*	*			cis	73.9	143.3	40.3	-149.7	-157.2	33.7	0	0	114
1567	L	26.1	Very low	26.7	Very low	128 Å²	128	142.6 Å²	142.6	67%	0.67	69%	0.692	S	S	*	*			trans	65.4	137.4	179.2	-96.3	64.6	0	0	0	113
1568	I	27.1	Very low	26.5	Very low	131 Å²	131	138 Å²	138	67%	0.672	68%	0.683	S	S	*	*			cis	-153.6	132.3	45.4	-117.9	141.9	0	0	0	107.3
1569	K	25.2	Very low	26.4	Very low	149 Å²	149	144.5 Å²	144.5	65%	0.648	70%	0.697	S	S	*	*				62.1	142	106.8	-61.9	-172.3	-171	-177.4	0	114.9
1570	E	26	Very low	26.3	Very low	121 Å²	121	144.3 Å²	144.3	57%	0.565	70%	0.697	S	S	*	*			cis	-155.3	160.5	3	-119.5	165.5	155.8	0	0	112.8
1571	K	24	Very low	26.2	Very low	160 Å²	160	146.1 Å²	146.1	70%	0.696	70%	0.701	S	S	*	*			trans	15.1	165.5	135.1	-60	164.3	-167.6	160.9	0	121.3
1572	L	26.1	Very low	26	Very low	142 Å²	142	145.5 Å²	145.5	74%	0.743	71%	0.706	S	S	*	*			trans	94.4	107.8	165.8	-53.9	165.9	0	0	0	112.4
1573	L	23.6	Very low	25.8	Very low	147 Å²	147	143 Å²	143	77%	0.77	71%	0.705	S	S	*	*			cis	77.8	65	41.3	-58.6	162.6	0	0	0	114.7
1574	F	24.6	Very low	25.6	Very low	195 Å²	195	143.7 Å²	143.7	86%	0.855	72%	0.715	S	S	*	*			trans	-160.4	131	159.8	-77.2	-62.7	0	0	0	104.6
1575	H	23.3	Very low	25.6	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.815	72%	0.716	S	S	*	*			cis	59.2	122.6	21.2	-120.8	-51.9	0	0	0	112.9
1576	P	26.5	Very low	25.4	Very low	97 Å²	97	143.3 Å²	143.3	63%	0.63	72%	0.716	S	S	*	*			cis	-135.6	-166.5	9.8	46.2	-29.3	0	0	0	114.7
1577	L	26.2	Very low	25.3	Very low	147 Å²	147	141.7 Å²	141.7	77%	0.77	71%	0.712	S	S	*	*			trans	59.5	123.8	148.4	-71.8	169.9	0	0	0	122.2
1578	N	23.7	Very low	25.4	Very low	116 Å²	116	138.4 Å²	138.4	62%	0.62	71%	0.709	S	S	*	*				47.6	139.2	122.9	-100.2	-8	0	0	0	123.8
1579	W	24.4	Very low	25.4	Very low	210 Å²	210	137 Å²	137	80%	0.795	71%	0.711	S	S	*	*			trans	88.5	129.2	142.8	-69.5	7.3	0	0	0	121.4
1580	N	24.6	Very low	25.5	Very low	121 Å²	121	136.8 Å²	136.8	65%	0.647	72%	0.716	S	S	*	*			trans	62.8	113.1	140.4	-60.8	-6.5	0	0	0	121.8
1581	H	25.7	Very low	25.6	Very low	174 Å²	174	137.4 Å²	137.4	81%	0.806	72%	0.723	S	S	*	*			trans	61.4	155.5	132.5	-77.1	-92.3	0	0	0	121.8
1582	S	24.6	Very low	25.9	Very low	96 Å²	96	136.4 Å²	136.4	67%	0.671	72%	0.724	S	S	*	*			trans	77.5	99.8	157.2	-59.5	0	0	0	0	119.4
1583	L	22.9	Very low	26.1	Very low	156 Å²	156	133.8 Å²	133.8	82%	0.817	71%	0.711	S	S	*	*				61.9	155	113.6	-71.3	163	0	0	0	122.1
1584	I	24.7	Very low	26.5	Very low	158 Å²	158	133.8 Å²	133.8	81%	0.81	71%	0.705	S	S	*	*			trans	83	143.5	154.3	-77.1	157.4	0	0	0	117.8
1585	P	29.2	Very low	26.8	Very low	106 Å²	106	131 Å²	131	69%	0.688	70%	0.699	S	S	*	*			trans	-138.3	-173.6	-135.6	44.9	-27.3	0	0	0	117.6
1586	M	25.8	Very low	27.2	Very low	129 Å²	129	127.4 Å²	127.4	64%	0.635	69%	0.685	S	S	*	*			trans	35.7	122.1	152.4	-71.5	-164.6	-177.4	0	0	121.8	W1468 K1472	W1468-M1586 HydrophobicContact CH2-SD 4.48Å; W1468-M1586 HydrophobicContact CZ2-CE 4.49Å; W1468-M1586 HydrophobicContact CZ2-SD 3.77Å; K1472-M1586 PolarHBondContact NZ-SD 3.03Å
1587	N	26.6	Very low	27.4	Very low	116 Å²	116	132 Å²	132	62%	0.62	70%	0.695	S	S	*	*			trans	-179.6	153.4	137.2	-90.4	-25.6	0	0	0	110.9	K1472	K1472-N1587 WeakPolarHBondContact CE-OD1 3.39Å; K1472-N1587 WeakPolarHBondContact CG-OD1 3.47Å
1588	G	28.4	Very low	27.3	Very low	59 Å²	59	135.5 Å²	135.5	61%	0.608	70%	0.699	S	S	*	*			cis	161.3	120.6	-13.3	0	0	0	0	0	116
1589	S	27.9	Very low	27.4	Very low	103 Å²	103	137.6 Å²	137.6	72%	0.72	71%	0.706	S	S	*	*			trans	88.3	155.9	144.9	-136.2	0	0	0	0	124.2
1590	L	27.5	Very low	27.6	Very low	144 Å²	144	132.9 Å²	132.9	75%	0.754	70%	0.697	S	S	*	*			trans	71.7	142.5	164.5	-95.5	67.7	0	0	0	119
1591	L	27.4	Very low	27.8	Very low	134 Å²	134	132.6 Å²	132.6	70%	0.702	70%	0.695	S	S	*	*			cis	-138.2	148.8	9.3	-78.5	104.6	0	0	0	113.6
1592	L	30	Very low	27.8	Very low	138 Å²	138	126.3 Å²	126.3	72%	0.723	67%	0.667	S	S	*	*			trans	41.7	138.9	140	-52.3	172.5	0	0	0	119.7
1593	D	31.6	Very low	27.9	Very low	88 Å²	88	123 Å²	123	47%	0.471	64%	0.642	S	S	.	*			cis	-169.6	178.5	-0.5	-114.8	-0.4	0	0	0	105.9	N1596	D1593-N1596 PolarHBondContact OD1-ND2 2.78Å
1594	K	31.6	Very low	28	Very low	147 Å²	147	121.1 Å²	121.1	64%	0.639	63%	0.629	S	S	*	*	S	Bend	cis	-160.4	169.3	4.3	-126.7	-170.8	-168	70.5	0	108.1
1595	D	31.1	Very low	28	Very low	136 Å²	136	120 Å²	120	73%	0.727	62%	0.62	S	S	*	*	S	Bend	cis	-102.7	134.2	-30.2	-75.6	-74.8	0	0	0	106.4
1596	N	30.5	Very low	27.9	Very low	100 Å²	100	121 Å²	121	54%	0.535	61%	0.613	S	S	.	*			cis	105	126.6	27.8	-86.9	-39.8	0	0	0	113.9	D1593	D1593-N1596 PolarHBondContact OD1-ND2 2.78Å
1597	K	30.7	Very low	27.9	Very low	193 Å²	193	120.6 Å²	120.6	84%	0.839	62%	0.624	S	S	*	*			trans	76.4	122	-177.1	-53.4	169	-174.4	170.8	0	113.5
1598	W	24.5	Very low	27.9	Very low	222 Å²	222	119.8 Å²	119.8	84%	0.841	63%	0.625	S	S	*	*	S	Bend	cis	-104.1	124.5	6	-69.8	-26.1	0	0	0	114.8
1599	M	25.3	Very low	28	Very low	159 Å²	159	121.4 Å²	121.4	78%	0.783	62%	0.623	S	S	*	*			trans	-133.4	161.8	145.8	-83.3	-178.5	66.1	0	0	107
1600	N	28.8	Very low	28	Very low	112 Å²	112	124.6 Å²	124.6	60%	0.599	63%	0.626	S	S	*	*			trans	63.8	56.2	164.6	-54.4	-36.1	0	0	0	116.3
1601	N	29.6	Very low	28.1	Very low	115 Å²	115	120.4 Å²	120.4	62%	0.615	61%	0.609	S	S	*	*				-135.3	133.4	119.1	-85.5	-12.6	0	0	0	103.6
1602	M	26	Very low	28.1	Very low	42 Å²	42	122.1 Å²	122.1	21%	0.207	61%	0.613	C	S	.	*			cis	177.2	-160.6	14.1	-116.7	164.8	-176.5	0	0	105.9	I1465 I1466 T1469	I1465-M1602 HydrophobicContact CB-CB 3.55Å; I1465-M1602 HydrophobicContact CB-CG 4.48Å; I1465-M1602 HydrophobicContact CG1-CB 3.77Å; I1465-M1602 HydrophobicContact CG2-CB 3.28Å; I1465-M1602 HydrophobicContact CG2-CG 3.91Å; I1465-M1602 HydrophobicContact CG2-SD 3.43Å; I1465-M1602 WeakPolarHBondContact CG2-SD 3.39Å; I1465-M1602 WeakPolarHBondContact O-CB 3.37Å; I1465-M1602 WeakPolarHBondContact O-CG 2.74Å; I1466-M1602 HydrophobicContact CB-CE 4.46Å; I1466-M1602 HydrophobicContact CB-SD 4.39Å; I1466-M1602 HydrophobicContact CG1-CE 3.96Å; I1466-M1602 HydrophobicContact CG1-SD 3.79Å; T1469-M1602 HydrophobicContact CG2-CB 4.4Å; T1469-M1602 HydrophobicContact CG2-CE 4.28Å; T1469-M1602 HydrophobicContact CG2-CG 3.38Å; T1469-M1602 WeakPolarHBondContact OG1-CE 3.44Å; T1469-M1602 VanDerWaalsContact OG1-CG 3.31Å; T1469-M1602 WeakPolarHBondContact OG1-CG 3.4Å
1603	D	26.4	Very low	28	Very low	26 Å²	26	118.5 Å²	118.5	14%	0.139	60%	0.599	C	S	.	*			trans	-78.1	161.6	-170.3	-123.1	-28.7	0	0	0	120.4	L1464 I1465 W1468	L1464-D1603 CarbonylContact C-O 3.56Å; L1464-D1603 WeakPolarHBondContact O-CB 3.49Å; I1465-D1603 VanDerWaalsContact CA-O 3.26Å; I1465-D1603 WeakPolarHBondContact CA-O 3.31Å; I1465-D1603 VanDerWaalsContact CG1-O 3.26Å; I1465-D1603 WeakPolarHBondContact CG1-O 3.13Å; I1465-D1603 PolarHBondContact N-O 2.88Å; I1465-D1603 PolarHBondContact O-N 3.2Å; W1468-D1603 VanDerWaalsContact CA-OD2 3.24Å; W1468-D1603 WeakPolarHBondContact CA-OD2 3.36Å; W1468-D1603 HydrophobicContact CB-CB 3.45Å; W1468-D1603 VanDerWaalsContact CB-CB 3.45Å; W1468-D1603 VanDerWaalsContact CB-CG 3.41Å; W1468-D1603 WeakPolarHBondContact CB-OD2 3.3Å; W1468-D1603 HydrophobicContact CD2-CB 4.5Å; W1468-D1603 HydrophobicContact CG-CB 3.85Å; W1468-D1603 PolarHBondContact N-OD2 3.03Å; W1468-D1603 PolarHBondContact NE1-OD1 2.81Å
1604	E	23.9	Very low	28.1	Very low	117 Å²	117	119.5 Å²	119.5	55%	0.547	60%	0.604	S	S	.	*	S	Bend	trans	52.3	-178.9	178.5	-58.1	-160.4	-163	0	0	116.1	L1464	L1464-E1604 HydrophobicContact CB-CB 3.88Å; L1464-E1604 HydrophobicContact CB-CG 4.13Å; L1464-E1604 HydrophobicContact CD1-CB 4.07Å; L1464-E1604 HydrophobicContact CD1-CG 4.4Å; L1464-E1604 WeakPolarHBondContact CD1-OE2 3.29Å; L1464-E1604 HydrophobicContact CD2-CG 4.37Å; L1464-E1604 HydrophobicContact CG-CB 4.46Å
1605	E	24.8	Very low	28.1	Very low	134 Å²	134	119.9 Å²	119.9	63%	0.626	61%	0.606	S	S	*	*	S	Bend	trans	-42.5	152.1	-160.8	-54.1	172.9	151.2	0	0	118.5	L1461	L1461-E1605 HydrophobicContact CD2-CB 3.71Å; L1461-E1605 HydrophobicContact CD2-CG 4.42Å
1606	K	26.8	Very low	28	Very low	126 Å²	126	114.6 Å²	114.6	55%	0.548	58%	0.579	S	S	.	*			trans	74.6	70.6	175.8	-50.8	-176.2	-167.6	163.6	0	116	L1461 P1608	L1461-K1606 HydrophobicContact CD1-CB 4.33Å; L1461-K1606 HydrophobicContact CD1-CD 3.45Å; L1461-K1606 VanDerWaalsContact CD1-CD 3.45Å; L1461-K1606 VanDerWaalsContact CD1-CE 3.49Å; L1461-K1606 HydrophobicContact CD1-CG 3.84Å; K1606-P1608 WeakPolarHBondContact O-CG 3.35Å
1607	S	25.9	Very low	28.3	Very low	122 Å²	122	114.6 Å²	114.6	85%	0.853	58%	0.579	S	S	*	*			trans	-65.8	120.4	164.1	53.3	0	0	0	0	111.9
1608	P	27.8	Very low	28.7	Very low	99 Å²	99	110.4 Å²	110.4	64%	0.643	56%	0.564	S	S	*	*			trans	-110.1	134.5	-157.8	12.5	9.3	0	0	0	116.7	K1606	K1606-P1608 WeakPolarHBondContact O-CG 3.35Å
1609	T	30.8	Very low	29	Very low	93 Å²	93	104.1 Å²	104.1	57%	0.571	56%	0.559	S	S	*	*			trans	25.2	100.9	134.2	60.2	0	0	0	0	119.8
1610	H	26.8	Very low	30.3	Very low	170 Å²	170	99.5 Å²	99.5	79%	0.787	54%	0.54	S	S	*	.				-132.4	50.5	112.7	-113.9	-77.6	0	0	0	109.1	E1612	H1610-E1612 VanDerWaalsContact C-N 3.29Å; H1610-E1612 PolarHBondContact O-N 2.93Å
1611	S	29	Very low	31.8	Very low	56 Å²	56	95.3 Å²	95.3	39%	0.392	52%	0.517	S	S	.	.			trans	-75.7	77.8	178.6	49.4	0	0	0	0	110.1	S1613	S1611-S1613 PolarHBondContact O-N 3.08Å
1612	E	27.8	Very low	33.8	Very low	170 Å²	170	96.7 Å²	96.7	79%	0.794	51%	0.514	S	S	*	.	S	Bend	trans	-68.2	78.5	168.6	-72.4	-164.4	152.2	0	0	109.9	H1610	H1610-E1612 VanDerWaalsContact C-N 3.29Å; H1610-E1612 PolarHBondContact O-N 2.93Å
1613	S	27.9	Very low	36.2	Very low	62 Å²	62	99.9 Å²	99.9	43%	0.434	53%	0.531	S	S	.	.			trans	63.6	121	-172.8	63	0	0	0	0	116.7	S1611 K1615	S1611-S1613 PolarHBondContact O-N 3.08Å; S1613-K1615 PolarHBondContact O-N 3.06Å; S1613-K1615 WeakPolarHBondContact OG-CD 3.33Å; S1613-K1615 WeakPolarHBondContact OG-CE 3.49Å; S1613-K1615 WeakPolarHBondContact OG-CG 3.38Å; S1613-K1615 PolarHBondContact OG-NZ 3.21Å
1614	L	35	Very low	38.5	Very low	109 Å²	109	99 Å²	99	57%	0.571	53%	0.526	S	S	*	.			trans	-70.5	49.6	145.9	-91.8	83.3	0	0	0	109.8	T1835	L1614-T1835 HydrophobicContact CD1-CG2 3.98Å
1615	K	30.2	Very low	41.1	Very low	154 Å²	154	96.6 Å²	96.6	67%	0.67	52%	0.519	S	S	*	.			trans	-59	152.5	160	-89.1	165.6	-153.6	151.2	0	107.5	S1613 N1617	S1613-K1615 PolarHBondContact O-N 3.06Å; S1613-K1615 WeakPolarHBondContact OG-CD 3.33Å; S1613-K1615 WeakPolarHBondContact OG-CE 3.49Å; S1613-K1615 WeakPolarHBondContact OG-CG 3.38Å; S1613-K1615 PolarHBondContact OG-NZ 3.21Å; K1615-N1617 PolarHBondContact O-N 3.05Å
1616	P	29.9	Very low	43.6	Very low	26 Å²	26	93.4 Å²	93.4	17%	0.169	50%	0.504	C	S	.	.			trans	-48.6	145.3	167.2	-25.4	32.7	0	0	0	111.2	M1618 K1735 T1739	P1616-M1618 HydrophobicContact CB-SD 4.06Å; P1616-M1618 HydrophobicContact CG-SD 4.49Å; P1616-M1618 PolarHBondContact O-N 2.87Å; P1616-K1735 HydrophobicContact CB-CB 4.37Å; P1616-K1735 WeakPolarHBondContact CB-O 3.32Å; P1616-K1735 HydrophobicContact CG-CB 3.52Å; P1616-K1735 HydrophobicContact CG-CD 4.38Å; P1616-K1735 HydrophobicContact CG-CG 3.83Å; P1616-K1735 WeakPolarHBondContact CG-O 3.39Å; P1616-T1739 HydrophobicContact CB-CG2 3.86Å; P1616-T1739 HydrophobicContact CG-CG2 4.49Å
1617	N	35.5	Very low	45.9	Very low	100 Å²	100	91.1 Å²	91.1	54%	0.535	50%	0.504	S	S	.	.			trans	-70.7	80.2	168.2	-177.4	5.9	0	0	0	108.7	K1615 A1619 T1620	K1615-N1617 PolarHBondContact O-N 3.05Å; N1617-A1619 PolarHBondContact O-N 3.01Å; N1617-A1619 WeakPolarHBondContact OD1-CB 3.18Å; N1617-T1620 HydrophobicContact CB-CG2 4.42Å; N1617-T1620 PolarHBondContact O-N 3.45Å; N1617-T1620 PolarHBondContact O-OG1 3.24Å
1618	M	40.8	Very low	48.5	Very low	104 Å²	104	86.4 Å²	86.4	51%	0.512	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-57	-16.1	-173.5	-63.4	-69.2	-72.9	0	0	113.3	P1616 T1620 L1621	P1616-M1618 HydrophobicContact CB-SD 4.06Å; P1616-M1618 HydrophobicContact CG-SD 4.49Å; P1616-M1618 PolarHBondContact O-N 2.87Å; M1618-T1620 PolarHBondContact O-N 2.84Å; M1618-L1621 HydrophobicContact CE-CD1 4.15Å; M1618-L1621 WeakPolarHBondContact O-CB 3.48Å; M1618-L1621 PolarHBondContact O-N 3.03Å; M1618-L1621 VanDerWaalsContact O-N 3.12Å; M1618-L1621 HydrophobicContact SD-CD1 4.1Å
1619	A	30.3	Very low	51.2	Low	90 Å²	90	82.7 Å²	82.7	74%	0.744	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67.7	-16.7	172.1	0	0	0	0	0	114.1	N1617	N1617-A1619 PolarHBondContact O-N 3.01Å; N1617-A1619 WeakPolarHBondContact OD1-CB 3.18Å
1620	T	52.9	Low	53.4	Low	63 Å²	63	82.8 Å²	82.8	39%	0.387	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-83.7	-22.2	169.4	63.7	0	0	0	0	112.5	N1617 M1618 R1622 A1738	N1617-T1620 HydrophobicContact CB-CG2 4.42Å; N1617-T1620 PolarHBondContact O-N 3.45Å; N1617-T1620 PolarHBondContact O-OG1 3.24Å; M1618-T1620 PolarHBondContact O-N 2.84Å; T1620-R1622 VanDerWaalsContact C-N 3.35Å; T1620-R1622 PolarHBondContact O-N 2.91Å; T1620-A1738 PolarHBondContact OG1-O 2.87Å
1621	L	59.2	Low	55.9	Low	24 Å²	24	79.7 Å²	79.7	13%	0.126	42%	0.421	C	S	.	.			trans	-79	81.7	-175.9	-162.4	160.7	0	0	0	109.8	M1618 I1623 A1738 F1748 L1751	M1618-L1621 HydrophobicContact CE-CD1 4.15Å; M1618-L1621 WeakPolarHBondContact O-CB 3.48Å; M1618-L1621 PolarHBondContact O-N 3.03Å; M1618-L1621 VanDerWaalsContact O-N 3.12Å; M1618-L1621 HydrophobicContact SD-CD1 4.1Å; L1621-I1623 HydrophobicContact CD2-CG1 4.08Å; L1621-I1623 PolarHBondContact O-N 3.25Å; L1621-A1738 HydrophobicContact CB-CB 4.18Å; L1621-A1738 HydrophobicContact CD1-CB 4.36Å; L1621-A1738 HydrophobicContact CG-CB 4.47Å; L1621-F1748 HydrophobicContact CG-CE1 4.16Å; L1621-L1751 HydrophobicContact CD2-CB 4.03Å; L1621-L1751 HydrophobicContact CD2-CD2 4.03Å
1622	R	71.5	Confident	58.1	Low	144 Å²	144	78.4 Å²	78.4	54%	0.543	42%	0.416	S	S	.	.			trans	-65.8	126.7	171.8	-70.8	-175.2	172.7	-155.8	-0.5	109.9	T1620 A1750 L1751	T1620-R1622 VanDerWaalsContact C-N 3.35Å; T1620-R1622 PolarHBondContact O-N 2.91Å; R1622-A1750 HydrophobicContact CB-CB 4.17Å; R1622-A1750 CarbonylContact O-C 3.58Å; R1622-A1750 VanDerWaalsContact O-CA 3.25Å; R1622-A1750 WeakPolarHBondContact O-CA 3.49Å; R1622-L1751 PolarHBondContact O-N 3.31Å
1623	I	76.4	Confident	59.9	Low	108 Å²	108	72.2 Å²	72.2	55%	0.554	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	132.1	164.6	-65.9	165.1	0	0	0	107.6	L1621 L1751 L1753	L1621-I1623 HydrophobicContact CD2-CG1 4.08Å; L1621-I1623 PolarHBondContact O-N 3.25Å; I1623-L1751 WeakPolarHBondContact CA-O 3.28Å; I1623-L1753 HydrophobicContact CD1-CD1 3.84Å; I1623-L1753 HydrophobicContact CG1-CD1 4.11Å; I1623-L1753 HydrophobicContact CG2-CD1 3.78Å; I1623-L1753 HydrophobicContact CG2-CG 3.97Å
1624	I	76.2	Confident	62.3	Low	9 Å²	9	74.1 Å²	74.1	5%	0.046	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	161.2	175.9	66.1	167.3	0	0	0	111.1	L1629 W1648 A1750 L1751 C1752 I1760	I1624-L1629 HydrophobicContact CD1-CD1 4.09Å; I1624-L1629 HydrophobicContact CD1-CD2 3.72Å; I1624-L1629 HydrophobicContact CD1-CG 3.77Å; I1624-W1648 HydrophobicContact CD1-CD2 4.38Å; I1624-W1648 HydrophobicContact CD1-CG 4.09Å; I1624-W1648 HydrophobicContact CG2-CZ2 3.59Å; I1624-A1750 HydrophobicContact CB-CB 4.35Å; I1624-A1750 HydrophobicContact CD1-CB 3.87Å; I1624-A1750 HydrophobicContact CG1-CB 3.81Å; I1624-A1750 HydrophobicContact CG2-CB 3.69Å; I1624-L1751 PolarHBondContact N-O 3.02Å; I1624-C1752 HydrophobicContact CG1-CB 4.08Å; I1624-C1752 PolarHBondContact O-SG 3.49Å; I1624-I1760 HydrophobicContact CD1-CG1 4.05Å
1625	T	76.8	Confident	64	Low	66 Å²	66	72.4 Å²	72.4	41%	0.405	39%	0.386	S	S	.	.			trans	-89.4	154.8	177.1	65.8	0	0	0	0	111.8	S1627 E1628	T1625-S1627 PolarHBondContact O-N 2.97Å; T1625-S1627 VanDerWaalsContact O-N 3.16Å; T1625-S1627 PolarHBondContact OG1-OG 2.77Å; T1625-E1628 WeakPolarHBondContact CB-OE1 3.22Å; T1625-E1628 PolarHBondContact N-OE1 3.1Å; T1625-E1628 WeakPolarHBondContact O-CB 3.39Å; T1625-E1628 PolarHBondContact O-N 3.38Å; T1625-E1628 WeakPolarHBondContact OG1-CG 3.24Å; T1625-E1628 PolarHBondContact OG1-OE1 3.22Å
1626	E	78.8	Confident	65.7	Low	67 Å²	67	66.5 Å²	66.5	31%	0.313	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.4	172.8	-159	156.2	-132.2	0	0	111.4	I3 E1628 L1629 C1752 T1754 Q1758	I3-E1626 WeakPolarHBondContact CD1-OE2 3.18Å; I3-E1626 WeakPolarHBondContact CG1-OE2 3.41Å; E1626-E1628 PolarHBondContact O-N 2.9Å; E1626-L1629 PolarHBondContact O-N 3.29Å; E1626-C1752 PolarHBondContact N-SG 2.7Å; E1626-C1752 VanDerWaalsContact N-SG 3.4Å; E1626-T1754 HydrophobicContact CB-CG2 3.72Å; E1626-T1754 HydrophobicContact CG-CG2 3.91Å; E1626-T1754 WeakPolarHBondContact OE1-CG2 3.22Å; E1626-T1754 PolarHBondContact OE1-OG1 3.05Å; E1626-T1754 WeakPolarHBondContact OE2-CB 3.04Å; E1626-Q1758 PolarHBondContact OE1-NE2 3.4Å
1627	S	75	Confident	67.4	Low	77 Å²	77	69.5 Å²	69.5	54%	0.538	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-75.4	8.5	173.9	71.9	0	0	0	0	115.5	T1625 K1651	T1625-S1627 PolarHBondContact O-N 2.97Å; T1625-S1627 VanDerWaalsContact O-N 3.16Å; T1625-S1627 PolarHBondContact OG1-OG 2.77Å; S1627-K1651 WeakPolarHBondContact O-CE 3.45Å; S1627-K1651 PolarHBondContact O-NZ 3.28Å; S1627-K1651 PolarHBondContact OG-NZ 3.47Å
1628	E	80.2	Confident	68.3	Low	23 Å²	23	67.3 Å²	67.3	11%	0.107	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-111.7	-1.6	166.6	-68.8	163.4	-100.1	0	0	111.8	T1625 E1626 W1648 C1649 K1651	T1625-E1628 WeakPolarHBondContact CB-OE1 3.22Å; T1625-E1628 PolarHBondContact N-OE1 3.1Å; T1625-E1628 WeakPolarHBondContact O-CB 3.39Å; T1625-E1628 PolarHBondContact O-N 3.38Å; T1625-E1628 WeakPolarHBondContact OG1-CG 3.24Å; T1625-E1628 PolarHBondContact OG1-OE1 3.22Å; E1626-E1628 PolarHBondContact O-N 2.9Å; E1628-W1648 CarbonylContact O-C 3.15Å; E1628-W1648 WeakPolarHBondContact O-CA 3.27Å; E1628-W1648 PolarHBondContact OE2-NE1 3.38Å; E1628-C1649 WeakPolarHBondContact CB-O 3.07Å; E1628-C1649 PolarHBondContact O-N 3.12Å; E1628-K1651 HydrophobicContact CG-CB 3.89Å; E1628-K1651 HydrophobicContact CG-CD 3.8Å; E1628-K1651 HydrophobicContact CG-CG 3.68Å; E1628-K1651 PolarHBondContact OE2-N 2.93Å
1629	L	83.5	Confident	68.8	Low	21 Å²	21	65 Å²	65	11%	0.11	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.8	-178.3	-70.1	175.6	0	0	0	111.6	I1624 E1626 V1647 W1648 V1713 I1715 C1752 I1760	I1624-L1629 HydrophobicContact CD1-CD1 4.09Å; I1624-L1629 HydrophobicContact CD1-CD2 3.72Å; I1624-L1629 HydrophobicContact CD1-CG 3.77Å; E1626-L1629 PolarHBondContact O-N 3.29Å; L1629-V1647 WeakPolarHBondContact CA-O 3.29Å; L1629-W1648 HydrophobicContact CD2-CB 4Å; L1629-W1648 HydrophobicContact CD2-CG 4.44Å; L1629-V1713 HydrophobicContact CD2-CG2 4.27Å; L1629-I1715 HydrophobicContact CB-CD1 4.42Å; L1629-I1715 HydrophobicContact CD1-CD1 4.43Å; L1629-I1715 HydrophobicContact CD2-CD1 4.08Å; L1629-C1752 HydrophobicContact CD1-CB 3.73Å; L1629-I1760 HydrophobicContact CD1-CD1 3.46Å; L1629-I1760 VanDerWaalsContact CD1-CD1 3.46Å; L1629-I1760 HydrophobicContact CD1-CG1 4.24Å; L1629-I1760 HydrophobicContact CD2-CD1 4.03Å; L1629-I1760 HydrophobicContact CD2-CG1 4.46Å; L1629-I1760 HydrophobicContact CD2-CG2 4.25Å; L1629-I1760 HydrophobicContact CG-CD1 4.4Å
1630	I	77.5	Confident	70	Confident	96 Å²	96	61.9 Å²	61.9	49%	0.492	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	110.2	164.4	-54.6	176.5	0	0	0	106.6	G1646 V1647	I1630-G1646 CarbonylContact O-C 3.48Å; I1630-G1646 WeakPolarHBondContact O-CA 3.41Å; I1630-V1647 HydrophobicContact CB-CB 4.34Å; I1630-V1647 PolarHBondContact N-O 3.12Å; I1630-V1647 PolarHBondContact O-N 3.07Å
1631	R	79.9	Confident	70.6	Confident	104 Å²	104	59.1 Å²	59.1	39%	0.392	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	124.2	177.7	-174.2	-178.6	-69.1	152.2	7.5	109.9	Y1644 I1715 Q1758	R1631-Y1644 VanDerWaalsContact CD-CG 3.48Å; R1631-Y1644 HydrophobicContact CG-CD1 3.88Å; R1631-Y1644 HydrophobicContact CG-CD2 4.18Å; R1631-Y1644 HydrophobicContact CG-CG 3.63Å; R1631-I1715 HydrophobicContact CB-CD1 4.39Å; R1631-Q1758 VanDerWaalsContact NH2-NE2 3.14Å
1632	G	73.9	Confident	71.5	Confident	29 Å²	29	59.5 Å²	59.5	30%	0.299	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-160.8	173.2	0	0	0	0	0	112.6	C1645	G1632-C1645 WeakPolarHBondContact CA-O 3.38Å; G1632-C1645 PolarHBondContact N-O 2.86Å
1633	P	66.8	Low	71.9	Confident	41 Å²	41	54.5 Å²	54.5	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	160.6	-179.6	20.9	-32.3	0	0	0	115	Y1644 C1645 D1980	P1633-Y1644 WeakPolarHBondContact O-CA 3.21Å; P1633-C1645 WeakPolarHBondContact CD-SG 3.13Å; P1633-C1645 PolarHBondContact O-N 3.41Å; P1633-C1645 PolarHBondContact O-SG 3.41Å; P1633-C1645 VanDerWaalsContact O-SG 3.4Å; P1633-D1980 HydrophobicContact CB-CB 4.12Å; P1633-D1980 WeakPolarHBondContact CB-OD2 3.47Å; P1633-D1980 HydrophobicContact CG-CB 3.93Å
1634	L	77.8	Confident	72.3	Confident	101 Å²	101	52.4 Å²	52.4	53%	0.529	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.4	174.3	172.3	58.6	0	0	0	110.4	G1636 T1642 V1643 Y1644	L1634-G1636 VanDerWaalsContact CD1-O 3.26Å; L1634-G1636 WeakPolarHBondContact CD1-O 2.88Å; L1634-T1642 HydrophobicContact CD1-CG2 3.34Å; L1634-V1643 WeakPolarHBondContact CD1-O 3.43Å; L1634-Y1644 HydrophobicContact CB-CD1 4.37Å; L1634-Y1644 HydrophobicContact CB-CE1 4.4Å
1635	I	70.9	Confident	72.5	Confident	73 Å²	73	53 Å²	53	37%	0.374	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-5.8	176.9	64	173.9	0	0	0	113.7	V1643 C1645 A1714 Y1763	I1635-V1643 HydrophobicContact CD1-CG1 3.93Å; I1635-V1643 HydrophobicContact CG1-CB 4.17Å; I1635-V1643 HydrophobicContact CG1-CG1 3.87Å; I1635-V1643 WeakPolarHBondContact CG1-O 3.49Å; I1635-V1643 PolarHBondContact N-O 2.98Å; I1635-C1645 HydrophobicContact CD1-CB 4.29Å; I1635-C1645 HydrophobicContact CG2-CB 3.79Å; I1635-A1714 HydrophobicContact CD1-CB 4.24Å; I1635-Y1763 HydrophobicContact CD1-CD2 3.98Å; I1635-Y1763 HydrophobicContact CD1-CE2 3.75Å; I1635-Y1763 HydrophobicContact CG2-CE2 4.42Å
1636	G	66.5	Low	72.8	Confident	31 Å²	31	50.4 Å²	50.4	32%	0.32	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	163	171.7	0	0	0	0	0	113.8	L1634 V1643	L1634-G1636 VanDerWaalsContact CD1-O 3.26Å; L1634-G1636 WeakPolarHBondContact CD1-O 2.88Å; G1636-V1643 PolarHBondContact N-O 3.32Å; G1636-V1643 VanDerWaalsContact N-O 3.16Å; G1636-V1643 PolarHBondContact O-N 2.92Å
1637	S	64.4	Low	72.9	Confident	88 Å²	88	48.1 Å²	48.1	62%	0.615	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.5	169.6	-69.6	0	0	0	0	110.1	G1641	S1637-G1641 WeakPolarHBondContact CA-O 3.45Å
1638	G	54.9	Low	73.3	Confident	54 Å²	54	45 Å²	45	56%	0.557	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	-176.1	-177.3	0	0	0	0	0	112.6	F1640 G1641	G1638-F1640 PolarHBondContact O-N 2.97Å; G1638-G1641 PolarHBondContact N-O 3.27Å; G1638-G1641 PolarHBondContact O-N 3.33Å
1639	A	51.9	Low	73.1	Confident	56 Å²	56	45 Å²	45	46%	0.463	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.2	-175.5	0	0	0	0	0	114.3	R1846	A1639-R1846 PolarHBondContact O-NH1 3.24Å
1640	F	55.6	Low	72.1	Confident	24 Å²	24	45 Å²	45	11%	0.105	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	14.9	179.7	-54.7	-71.3	0	0	0	113.5	G1638 L1829	G1638-F1640 PolarHBondContact O-N 2.97Å; F1640-L1829 HydrophobicContact CE2-CG 4.42Å; F1640-L1829 HydrophobicContact CZ-CD2 3.92Å; F1640-L1829 HydrophobicContact CZ-CG 3.9Å
1641	G	64.9	Low	70.8	Confident	6 Å²	6	45.8 Å²	45.8	6%	0.062	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	113.1	-155.1	175.7	0	0	0	0	0	114.8	S1637 G1638 V1717	S1637-G1641 WeakPolarHBondContact CA-O 3.45Å; G1638-G1641 PolarHBondContact N-O 3.27Å; G1638-G1641 PolarHBondContact O-N 3.33Å; G1641-V1717 CarbonylContact C-O 3.55Å; G1641-V1717 WeakPolarHBondContact CA-O 3.15Å
1642	T	77.4	Confident	69	Low	31 Å²	31	46.4 Å²	46.4	19%	0.19	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	-161	-57.1	0	0	0	0	110.2	L1634 Y1644 V1717	L1634-T1642 HydrophobicContact CD1-CG2 3.34Å; T1642-Y1644 HydrophobicContact CG2-CD2 4.28Å; T1642-Y1644 HydrophobicContact CG2-CE1 4.34Å; T1642-Y1644 HydrophobicContact CG2-CE2 3.57Å; T1642-V1717 PolarHBondContact N-O 3.42Å; T1642-V1717 PolarHBondContact O-N 2.9Å
1643	V	81	Confident	66.9	Low	39 Å²	39	50.7 Å²	50.7	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	-179.2	-167.5	0	0	0	0	109.7	L1634 I1635 G1636 A1714 I1715 K1716	L1634-V1643 WeakPolarHBondContact CD1-O 3.43Å; I1635-V1643 HydrophobicContact CD1-CG1 3.93Å; I1635-V1643 HydrophobicContact CG1-CB 4.17Å; I1635-V1643 HydrophobicContact CG1-CG1 3.87Å; I1635-V1643 WeakPolarHBondContact CG1-O 3.49Å; I1635-V1643 PolarHBondContact N-O 2.98Å; G1636-V1643 PolarHBondContact N-O 3.32Å; G1636-V1643 VanDerWaalsContact N-O 3.16Å; G1636-V1643 PolarHBondContact O-N 2.92Å; V1643-A1714 HydrophobicContact CG1-CB 4.15Å; V1643-I1715 WeakPolarHBondContact CA-O 3.37Å; V1643-K1716 HydrophobicContact CG2-CB 4.21Å; V1643-K1716 HydrophobicContact CG2-CG 4.14Å
1644	Y	83.8	Confident	64.9	Low	64 Å²	64	56.2 Å²	56.2	25%	0.251	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	151.9	172.4	-57.4	-95.9	0	0	0	109.5	R1631 P1633 L1634 T1642 A1714 I1715 V1717	R1631-Y1644 VanDerWaalsContact CD-CG 3.48Å; R1631-Y1644 HydrophobicContact CG-CD1 3.88Å; R1631-Y1644 HydrophobicContact CG-CD2 4.18Å; R1631-Y1644 HydrophobicContact CG-CG 3.63Å; P1633-Y1644 WeakPolarHBondContact O-CA 3.21Å; L1634-Y1644 HydrophobicContact CB-CD1 4.37Å; L1634-Y1644 HydrophobicContact CB-CE1 4.4Å; T1642-Y1644 HydrophobicContact CG2-CD2 4.28Å; T1642-Y1644 HydrophobicContact CG2-CE1 4.34Å; T1642-Y1644 HydrophobicContact CG2-CE2 3.57Å; Y1644-A1714 WeakPolarHBondContact O-CA 3.27Å; Y1644-I1715 PolarHBondContact N-O 3.24Å; Y1644-I1715 PolarHBondContact O-N 3.06Å; Y1644-V1717 HydrophobicContact CD2-CG2 3.88Å; Y1644-V1717 HydrophobicContact CE2-CB 4.27Å; Y1644-V1717 HydrophobicContact CE2-CG2 3.98Å
1645	C	81.9	Confident	62.5	Low	22 Å²	22	59.4 Å²	59.4	15%	0.149	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	169.5	156.4	67.3	0	0	0	0	109.5	G1632 P1633 I1635 V1713 Y1763	G1632-C1645 WeakPolarHBondContact CA-O 3.38Å; G1632-C1645 PolarHBondContact N-O 2.86Å; P1633-C1645 WeakPolarHBondContact CD-SG 3.13Å; P1633-C1645 PolarHBondContact O-N 3.41Å; P1633-C1645 PolarHBondContact O-SG 3.41Å; P1633-C1645 VanDerWaalsContact O-SG 3.4Å; I1635-C1645 HydrophobicContact CD1-CB 4.29Å; I1635-C1645 HydrophobicContact CG2-CB 3.79Å; C1645-V1713 CarbonylContact C-O 3.56Å; C1645-Y1763 HydrophobicContact CB-CD2 4.14Å; C1645-Y1763 HydrophobicContact CB-CE2 3.96Å
1646	G	81.6	Confident	60.3	Low	11 Å²	11	58.3 Å²	58.3	11%	0.113	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-173.3	176.6	0	0	0	0	0	112.6	I1630 V1713	I1630-G1646 CarbonylContact O-C 3.48Å; I1630-G1646 WeakPolarHBondContact O-CA 3.41Å; G1646-V1713 PolarHBondContact N-O 3.27Å; G1646-V1713 PolarHBondContact O-N 2.79Å
1647	V	81.5	Confident	58.3	Low	20 Å²	20	64 Å²	64	12%	0.121	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.2	177.6	-173	0	0	0	0	108.6	L1629 I1630 H1710 I1711 M2028	L1629-V1647 WeakPolarHBondContact CA-O 3.29Å; I1630-V1647 HydrophobicContact CB-CB 4.34Å; I1630-V1647 PolarHBondContact N-O 3.12Å; I1630-V1647 PolarHBondContact O-N 3.07Å; V1647-H1710 HydrophobicContact CG1-CB 3.53Å; V1647-I1711 CarbonylContact C-O 3.57Å; V1647-I1711 WeakPolarHBondContact CA-O 3.05Å; V1647-M2028 HydrophobicContact CG2-CE 3.91Å
1648	W	82.9	Confident	56.4	Low	11 Å²	11	62.1 Å²	62.1	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.1	163.1	176.4	31.9	0	0	0	108.3	I1624 E1628 L1629 P1650 I1711 V1713 L1749	I1624-W1648 HydrophobicContact CD1-CD2 4.38Å; I1624-W1648 HydrophobicContact CD1-CG 4.09Å; I1624-W1648 HydrophobicContact CG2-CZ2 3.59Å; E1628-W1648 CarbonylContact O-C 3.15Å; E1628-W1648 WeakPolarHBondContact O-CA 3.27Å; E1628-W1648 PolarHBondContact OE2-NE1 3.38Å; L1629-W1648 HydrophobicContact CD2-CB 4Å; L1629-W1648 HydrophobicContact CD2-CG 4.44Å; W1648-P1650 HydrophobicContact CD2-CG 3.95Å; W1648-P1650 HydrophobicContact CE3-CG 4.45Å; W1648-P1650 HydrophobicContact CG-CG 4.32Å; W1648-P1650 HydrophobicContact CZ2-CB 4.06Å; W1648-P1650 HydrophobicContact CZ2-CG 4.05Å; W1648-P1650 WeakPolarHBondContact O-CD 3.36Å; W1648-I1711 HydrophobicContact CB-CB 4.42Å; W1648-I1711 HydrophobicContact CD2-CD1 4.44Å; W1648-I1711 HydrophobicContact CE3-CD1 3.76Å; W1648-I1711 HydrophobicContact CZ3-CD1 4.06Å; W1648-I1711 PolarHBondContact N-O 2.04Å; W1648-I1711 PolarHBondContact O-N 3.13Å; W1648-V1713 HydrophobicContact CB-CG1 3.82Å; W1648-V1713 HydrophobicContact CB-CG2 4.15Å; W1648-L1749 HydrophobicContact CE3-CB 4.4Å; W1648-L1749 HydrophobicContact CZ3-CB 4.13Å
1649	C	76.3	Confident	55	Low	23 Å²	23	65.1 Å²	65.1	16%	0.155	34%	0.341	C	S	.	.			trans	-110.5	89.6	175.4	-52.6	0	0	0	0	107.1	E1628 K1651 H1710	E1628-C1649 WeakPolarHBondContact CB-O 3.07Å; E1628-C1649 PolarHBondContact O-N 3.12Å; C1649-K1651 PolarHBondContact O-N 3.37Å; C1649-H1710 PolarHBondContact SG-CD2 3.49Å; C1649-H1710 PolarHBondContact SG-NE2 3.24Å; C1649-H1710 VanDerWaalsContact SG-NE2 3.39Å
1650	P	62.7	Low	53.7	Low	21 Å²	21	69.8 Å²	69.8	14%	0.136	36%	0.357	C	S	.	.			trans	-64	128.2	-170.1	-19.2	31.1	0	0	0	111.4	W1648 F1652 L1709 I1711	W1648-P1650 HydrophobicContact CD2-CG 3.95Å; W1648-P1650 HydrophobicContact CE3-CG 4.45Å; W1648-P1650 HydrophobicContact CG-CG 4.32Å; W1648-P1650 HydrophobicContact CZ2-CB 4.06Å; W1648-P1650 HydrophobicContact CZ2-CG 4.05Å; W1648-P1650 WeakPolarHBondContact O-CD 3.36Å; P1650-F1652 PolarHBondContact O-N 2.87Å; P1650-L1709 WeakPolarHBondContact CD-O 3.02Å; P1650-I1711 HydrophobicContact CG-CD1 3.97Å
1651	K	51.2	Low	52.4	Low	113 Å²	113	75.6 Å²	75.6	49%	0.491	39%	0.388	S	S	.	.			trans	-74.5	96.1	175.1	-86.3	174.6	-177	-177.9	0	110.2	S1627 E1628 C1649 T1653	S1627-K1651 WeakPolarHBondContact O-CE 3.45Å; S1627-K1651 PolarHBondContact O-NZ 3.28Å; S1627-K1651 PolarHBondContact OG-NZ 3.47Å; E1628-K1651 HydrophobicContact CG-CB 3.89Å; E1628-K1651 HydrophobicContact CG-CD 3.8Å; E1628-K1651 HydrophobicContact CG-CG 3.68Å; E1628-K1651 PolarHBondContact OE2-N 2.93Å; C1649-K1651 PolarHBondContact O-N 3.37Å; K1651-T1653 PolarHBondContact O-N 3.43Å
1652	F	41.1	Very low	50.5	Low	117 Å²	117	82.1 Å²	82.1	51%	0.513	42%	0.422	S	S	.	.			trans	-66.7	71.5	164	-70	-75.4	0	0	0	110.5	P1650 R1654 L1709	P1650-F1652 PolarHBondContact O-N 2.87Å; F1652-R1654 PolarHBondContact O-N 3.13Å; F1652-L1709 HydrophobicContact CE2-CB 4.24Å; F1652-L1709 HydrophobicContact CE2-CD2 4.45Å; F1652-L1709 HydrophobicContact CZ-CD2 4.34Å
1653	T	30.4	Very low	48.1	Very low	119 Å²	119	88 Å²	88	73%	0.73	45%	0.452	S	S	*	.			trans	-53.9	132.6	159.3	43.2	0	0	0	0	107.8	K1651 Q1655	K1651-T1653 PolarHBondContact O-N 3.43Å; T1653-Q1655 PolarHBondContact O-N 2.73Å
1654	R	24.5	Very low	45.6	Very low	157 Å²	157	92.9 Å²	92.9	59%	0.592	48%	0.482	S	S	*	.			trans	-61.7	100.1	177.2	-65	-174.9	-169.9	163.1	4.9	108.3	N279 F1652 K1656 D1704	N279-R1654 PolarHBondContact ND2-O 2.77Å; F1652-R1654 PolarHBondContact O-N 3.13Å; R1654-K1656 PolarHBondContact O-N 3.07Å; R1654-D1704 IonicContact CZ-OD1 2.77Å; R1654-D1704 IonicContact NH2-OD1 3.66Å; R1654-D1704 PolarHBondContact NH2-OD1 2.95Å; R1654-D1704 IonicContact NH2-OD2 2.63Å
1655	Q	26.2	Very low	42.7	Very low	168 Å²	168	99 Å²	99	79%	0.785	51%	0.507	S	S	*	.			trans	-50.6	117.8	154	-82	-169.8	-14.3	0	0	105.5	T1653 L1657	T1653-Q1655 PolarHBondContact O-N 2.73Å; Q1655-L1657 PolarHBondContact O-N 3.12Å
1656	K	25.2	Very low	40	Very low	49 Å²	49	103.3 Å²	103.3	21%	0.213	54%	0.536	C	S	.	.			trans	-74.1	79.9	170.5	164.6	-107.1	-165.8	-169.6	0	105.5	N279 S281 R1654 D1658	N279-K1656 HydrophobicContact CB-CB 4.42Å; N279-K1656 WeakPolarHBondContact O-CD 3.47Å; N279-K1656 WeakPolarHBondContact O-CE 3.26Å; S281-K1656 WeakPolarHBondContact O-CD 3.39Å; S281-K1656 PolarHBondContact O-NZ 2.87Å; S281-K1656 WeakPolarHBondContact OG-CA 3.48Å; S281-K1656 VanDerWaalsContact OG-CB 3.28Å; S281-K1656 WeakPolarHBondContact OG-CB 3.44Å; S281-K1656 PolarHBondContact OG-N 2.76Å; S281-K1656 PolarHBondContact OG-O 3.3Å; R1654-K1656 PolarHBondContact O-N 3.07Å; K1656-D1658 WeakPolarHBondContact CE-OD1 3.35Å; K1656-D1658 IonicContact NZ-OD1 2.81Å; K1656-D1658 PolarHBondContact NZ-OD1 3.32Å; K1656-D1658 PolarHBondContact O-N 3.37Å; K1656-D1658 VanDerWaalsContact O-N 3.1Å
1657	L	24.9	Very low	37.4	Very low	150 Å²	150	108.6 Å²	108.6	79%	0.785	57%	0.567	S	S	*	*			trans	-43.6	111.7	147	-81.5	159.5	0	0	0	105.3	Q1655	Q1655-L1657 PolarHBondContact O-N 3.12Å
1658	D	24.3	Very low	34.8	Very low	50 Å²	50	114.7 Å²	114.7	27%	0.267	60%	0.597	S	S	.	*			trans	-58.1	149.5	-178.9	-74.4	-76.9	0	0	0	110.5	H282 K1656 I1660	H282-D1658 IonicContact CD2-OD2 2.62Å; H282-D1658 PolarHBondContact CD2-OD2 3.48Å; H282-D1658 IonicContact CG-OD2 3.29Å; H282-D1658 IonicContact ND1-OD2 2.67Å; H282-D1658 IonicContact NE2-OD2 2.65Å; K1656-D1658 WeakPolarHBondContact CE-OD1 3.35Å; K1656-D1658 IonicContact NZ-OD1 2.81Å; K1656-D1658 PolarHBondContact NZ-OD1 3.32Å; K1656-D1658 PolarHBondContact O-N 3.37Å; K1656-D1658 VanDerWaalsContact O-N 3.1Å; D1658-I1660 PolarHBondContact O-N 3.28Å
1659	P	25.5	Very low	32.2	Very low	116 Å²	116	119.8 Å²	119.8	75%	0.753	63%	0.63	S	S	*	*			trans	-67.7	85.1	170.1	30.2	-33.6	0	0	0	108.3	N1661	P1659-N1661 VanDerWaalsContact C-N 3.26Å; P1659-N1661 PolarHBondContact O-N 3.13Å
1660	I	25.5	Very low	29.7	Very low	155 Å²	155	126.5 Å²	126.5	80%	0.795	66%	0.664	S	S	*	*			trans	-63	95.5	169.8	-60.7	178.4	0	0	0	106.3	D1658	D1658-I1660 PolarHBondContact O-N 3.28Å
1661	N	26.9	Very low	28.1	Very low	145 Å²	145	131.2 Å²	131.2	78%	0.775	70%	0.697	S	S	*	*			trans	-63.7	146.5	170.4	-127.8	-6.7	0	0	0	108	P1659 D1663	P1659-N1661 VanDerWaalsContact C-N 3.26Å; P1659-N1661 PolarHBondContact O-N 3.13Å; N1661-D1663 PolarHBondContact O-N 3.26Å
1662	N	25.1	Very low	26.8	Very low	144 Å²	144	132.6 Å²	132.6	77%	0.77	72%	0.716	S	S	*	*	S	Bend	trans	-67.6	120.5	179.3	-48.5	-85	0	0	0	108.8
1663	D	27.7	Very low	26.1	Very low	154 Å²	154	135 Å²	135	82%	0.824	73%	0.732	S	S	*	*			trans	173.7	74.1	136.6	-85.9	-18	0	0	0	111.7	N1661	N1661-D1663 PolarHBondContact O-N 3.26Å
1664	T	29.1	Very low	25.8	Very low	141 Å²	141	135 Å²	135	87%	0.865	73%	0.732	S	S	*	*			trans	-164.9	69	152.8	22.4	0	0	0	0	110.2
1665	Y	23.1	Very low	25.7	Very low	194 Å²	194	132.5 Å²	132.5	76%	0.761	74%	0.736	S	S	*	*			trans	-90.4	159.6	153.3	-121.5	-114.8	0	0	0	108.3	I1559	I1559-Y1665 WeakPolarHBondContact O-CD1 3.3Å
1666	S	25.4	Very low	25.6	Very low	111 Å²	111	130.7 Å²	130.7	78%	0.776	74%	0.737	S	S	*	*	S	Bend	trans	64.5	67.1	169.2	61.6	0	0	0	0	120
1667	T	26.6	Very low	25.7	Very low	123 Å²	123	132.6 Å²	132.6	76%	0.755	76%	0.756	S	S	*	*			trans	-152.6	143.5	137.4	9.7	0	0	0	0	111.7
1668	I	27.3	Very low	25.6	Very low	147 Å²	147	131 Å²	131	75%	0.754	75%	0.749	S	S	*	*			trans	47.5	92	156.2	-51.1	163.2	0	0	0	115
1669	T	26.7	Very low	25.7	Very low	118 Å²	118	133.3 Å²	133.3	72%	0.724	76%	0.764	S	S	*	*			cis	60.2	115.2	43.2	80	0	0	0	0	116.6
1670	N	25.3	Very low	25.7	Very low	164 Å²	164	136.1 Å²	136.1	88%	0.877	77%	0.765	S	S	*	*			trans	70.6	76.5	158.6	-61	-7.2	0	0	0	119.6
1671	S	28	Very low	25.6	Very low	120 Å²	120	135.9 Å²	135.9	84%	0.839	77%	0.766	S	S	*	*			trans	-143	135.8	145.6	58.5	0	0	0	0	110.5
1672	T	24.6	Very low	25.5	Very low	143 Å²	143	133.1 Å²	133.1	88%	0.877	76%	0.758	S	S	*	*			trans	-99.1	120.2	-164.4	47.1	0	0	0	0	114.6
1673	I	26	Very low	25.6	Very low	167 Å²	167	135.9 Å²	135.9	86%	0.856	76%	0.763	S	S	*	*			trans	-128.8	144.1	145.8	-65.3	-174.2	0	0	0	108.3
1674	T	23.9	Very low	25.4	Very low	118 Å²	118	135.6 Å²	135.6	72%	0.724	75%	0.754	S	S	*	*			trans	-77	144.5	-164.9	46.8	0	0	0	0	114.9
1675	P	22.9	Very low	25.3	Very low	106 Å²	106	134 Å²	134	69%	0.688	74%	0.735	S	S	*	*			trans	-81.4	136.3	170.9	33.2	-33.7	0	0	0	112.8	S1677	P1675-S1677 PolarHBondContact O-OG 3.12Å
1676	T	24.5	Very low	25.4	Very low	130 Å²	130	128.8 Å²	128.8	80%	0.798	72%	0.721	S	S	*	*			trans	-142	96.7	157.4	53.6	0	0	0	0	106.6
1677	S	25.9	Very low	25.4	Very low	89 Å²	89	127.1 Å²	127.1	62%	0.622	70%	0.697	S	S	*	*			cis	56.8	54.3	28.2	87.2	0	0	0	0	113.8	P1675	P1675-S1677 PolarHBondContact O-OG 3.12Å
1678	N	23.4	Very low	25.4	Very low	117 Å²	117	126.9 Å²	126.9	63%	0.626	69%	0.692	S	S	*	*			trans	179.4	90.3	144.1	-88	-15.5	0	0	0	110.5
1679	V	27	Very low	25.4	Very low	98 Å²	98	127.6 Å²	127.6	59%	0.594	69%	0.689	S	S	*	*	S	Bend	trans	-137.2	-29.9	168.5	-174.1	0	0	0	0	112
1680	F	25.4	Very low	25.4	Very low	174 Å²	174	128.8 Å²	128.8	76%	0.763	69%	0.691	S	S	*	*	S	Bend	trans	-127.1	55.6	171.9	-75.5	-89.1	0	0	0	111.3
1681	N	22.2	Very low	25.5	Very low	151 Å²	151	126.4 Å²	126.4	81%	0.807	68%	0.682	S	S	*	*			trans	-179.5	66.9	158.1	-103.7	-46.2	0	0	0	114.6
1682	S	25.4	Very low	25.4	Very low	87 Å²	87	128.3 Å²	128.3	61%	0.608	68%	0.683	S	S	*	*	S	Bend	trans	-170.4	121.7	158.8	57.9	0	0	0	0	110.5
1683	K	27.2	Very low	25.6	Very low	202 Å²	202	125.3 Å²	125.3	88%	0.878	68%	0.681	S	S	*	*	S	Bend	cis	-133.8	145.5	-2.4	-60	168.7	-176.9	165.5	0	108.6
1684	K	24.5	Very low	25.6	Very low	147 Å²	147	123.7 Å²	123.7	64%	0.639	68%	0.679	S	S	*	*			trans	20	106.4	163.7	-71.8	-169.8	167.7	-147.4	0	118.2	D1686	K1684-D1686 HydrophobicContact CB-CB 4.36Å; K1684-D1686 HydrophobicContact CD-CB 4.1Å; K1684-D1686 WeakPolarHBondContact CD-OD1 3.34Å; K1684-D1686 WeakPolarHBondContact CE-OD1 3.5Å; K1684-D1686 HydrophobicContact CG-CB 4.41Å; K1684-D1686 IonicContact NZ-OD1 2.77Å; K1684-D1686 PolarHBondContact NZ-OD1 3.17Å; K1684-D1686 IonicContact NZ-OD2 2.68Å; K1684-D1686 PolarHBondContact NZ-OD2 2.62Å
1685	F	25.5	Very low	25.8	Very low	108 Å²	108	126.5 Å²	126.5	47%	0.474	68%	0.684	S	S	.	*				-89	136.9	115.3	-118.9	-82.6	0	0	0	106.3	W1687 Q1817	F1685-W1687 HydrophobicContact CD1-CD2 4.11Å; F1685-W1687 AromaticContact CD1-CE2 3.33Å; F1685-W1687 HydrophobicContact CD1-CH2 4.12Å; F1685-W1687 AromaticContact CD1-CZ2 3.36Å; F1685-W1687 HydrophobicContact CD1-CZ2 3.36Å; F1685-W1687 AromaticContact CD1-NE1 3.47Å; F1685-W1687 AromaticContact CE1-CE2 3.77Å; F1685-W1687 AromaticContact CE1-CH2 3.78Å; F1685-W1687 HydrophobicContact CE1-CH2 3.78Å; F1685-W1687 AromaticContact CE1-CZ2 3.24Å; F1685-W1687 HydrophobicContact CE1-CZ2 3.24Å; F1685-W1687 HydrophobicContact CZ-CZ2 4.36Å; F1685-Q1817 HydrophobicContact CE2-CG 4.46Å
1686	D	26	Very low	26.1	Very low	85 Å²	85	126.2 Å²	126.2	46%	0.455	68%	0.68	S	S	.	*			trans	-116.5	65.9	-160.8	-152.8	47.1	0	0	0	111.1	K1684 D1688	K1684-D1686 HydrophobicContact CB-CB 4.36Å; K1684-D1686 HydrophobicContact CD-CB 4.1Å; K1684-D1686 WeakPolarHBondContact CD-OD1 3.34Å; K1684-D1686 WeakPolarHBondContact CE-OD1 3.5Å; K1684-D1686 HydrophobicContact CG-CB 4.41Å; K1684-D1686 IonicContact NZ-OD1 2.77Å; K1684-D1686 PolarHBondContact NZ-OD1 3.17Å; K1684-D1686 IonicContact NZ-OD2 2.68Å; K1684-D1686 PolarHBondContact NZ-OD2 2.62Å; D1686-D1688 VanDerWaalsContact C-N 3.31Å; D1686-D1688 PolarHBondContact O-N 3.42Å
1687	W	25.4	Very low	26.3	Very low	75 Å²	75	127.2 Å²	127.2	28%	0.284	68%	0.679	S	S	.	*			trans	-82.5	11.2	-167.1	-71	139.3	0	0	0	117.3	F1685 Q2027 D2031 N2034 N2035	F1685-W1687 HydrophobicContact CD1-CD2 4.11Å; F1685-W1687 AromaticContact CD1-CE2 3.33Å; F1685-W1687 HydrophobicContact CD1-CH2 4.12Å; F1685-W1687 AromaticContact CD1-CZ2 3.36Å; F1685-W1687 HydrophobicContact CD1-CZ2 3.36Å; F1685-W1687 AromaticContact CD1-NE1 3.47Å; F1685-W1687 AromaticContact CE1-CE2 3.77Å; F1685-W1687 AromaticContact CE1-CH2 3.78Å; F1685-W1687 HydrophobicContact CE1-CH2 3.78Å; F1685-W1687 AromaticContact CE1-CZ2 3.24Å; F1685-W1687 HydrophobicContact CE1-CZ2 3.24Å; F1685-W1687 HydrophobicContact CZ-CZ2 4.36Å; W1687-Q2027 PolarHBondContact O-NE2 3.42Å; W1687-Q2027 VanDerWaalsContact O-NE2 3.1Å; W1687-D2031 VanDerWaalsContact CD1-CG 3.42Å; W1687-D2031 HydrophobicContact CD2-CB 3.88Å; W1687-D2031 VanDerWaalsContact CE2-CB 3.41Å; W1687-D2031 HydrophobicContact CE3-CB 4.29Å; W1687-D2031 HydrophobicContact CG-CB 4.44Å; W1687-D2031 VanDerWaalsContact CG-CG 3.46Å; W1687-D2031 VanDerWaalsContact CH2-CA 3.48Å; W1687-D2031 HydrophobicContact CH2-CB 4.01Å; W1687-D2031 WeakPolarHBondContact CH2-O 3.35Å; W1687-D2031 HydrophobicContact CZ2-CB 3.47Å; W1687-D2031 VanDerWaalsContact CZ2-CB 3.47Å; W1687-D2031 WeakPolarHBondContact CZ2-O 3Å; W1687-D2031 HydrophobicContact CZ3-CB 4.38Å; W1687-D2031 VanDerWaalsContact NE1-CG 3.33Å; W1687-D2031 PolarHBondContact NE1-OD2 2.87Å; W1687-N2034 HydrophobicContact CH2-CB 4.05Å; W1687-N2034 HydrophobicContact CZ3-CB 3.62Å; W1687-N2035 WeakPolarHBondContact CH2-ND2 3.23Å; W1687-N2035 VanDerWaalsContact CZ2-ND2 3.32Å; W1687-N2035 WeakPolarHBondContact CZ2-ND2 3.31Å
1688	D	26.3	Very low	26.4	Very low	119 Å²	119	126.6 Å²	126.6	64%	0.636	67%	0.673	S	S	*	*			trans	-154.1	110.2	178.4	-119.9	-45.2	0	0	0	112.9	D1686 Q2027	D1686-D1688 VanDerWaalsContact C-N 3.31Å; D1686-D1688 PolarHBondContact O-N 3.42Å; D1688-Q2027 PolarHBondContact OD2-NE2 3.2Å
1689	K	28	Very low	26.6	Very low	162 Å²	162	124.9 Å²	124.9	70%	0.704	68%	0.683	S	S	*	*			trans	-152.2	129.8	159.2	-84.2	-150	171.7	-165.7	0	112.3
1690	N	26.6	Very low	26.4	Very low	143 Å²	143	123.7 Å²	123.7	77%	0.765	69%	0.691	S	S	*	*			trans	77.6	122.5	178.1	-52.7	-19.8	0	0	0	113.4
1691	T	27.3	Very low	26.6	Very low	113 Å²	113	124 Å²	124	69%	0.693	69%	0.692	S	S	*	*			cis	-157.1	130.3	6.1	-2.2	0	0	0	0	114.6
1692	N	25.7	Very low	27.1	Very low	160 Å²	160	124 Å²	124	86%	0.856	69%	0.692	S	S	*	*			trans	42.3	107	142.8	-56.8	-10.8	0	0	0	120.8
1693	G	28.3	Very low	27.1	Very low	81 Å²	81	126.3 Å²	126.3	84%	0.835	70%	0.698	S	S	*	*			trans	-167	123.7	157.7	0	0	0	0	0	112.1
1694	T	26.8	Very low	27.1	Very low	132 Å²	132	121.8 Å²	121.8	81%	0.81	68%	0.683	S	S	*	*			trans	-120.9	132.4	-173.5	51.9	0	0	0	0	112.6
1695	E	27.5	Very low	27.3	Very low	178 Å²	178	118.8 Å²	118.8	83%	0.832	67%	0.674	S	S	*	*				177.7	116.6	127.8	-100	176.3	-167.5	0	0	116.6
1696	T	28.9	Very low	27.4	Very low	99 Å²	99	121.8 Å²	121.8	61%	0.607	68%	0.683	S	S	*	*			trans	46.9	124.7	142.6	61.7	0	0	0	0	124.5
1697	I	29.7	Very low	27.7	Very low	152 Å²	152	124.3 Å²	124.3	78%	0.779	69%	0.691	S	S	*	*			trans	-94.9	138.5	167.8	-62	156.5	0	0	0	110.3
1698	P	28.2	Very low	28.4	Very low	76 Å²	76	124.6 Å²	124.6	49%	0.494	70%	0.698	S	S	.	*				-158.8	125.1	108.9	36.6	-14.8	0	0	0	119.3
1699	G	25.7	Very low	29.6	Very low	81 Å²	81	122.7 Å²	122.7	84%	0.835	69%	0.687	S	S	*	*				107.2	110.9	115.9	0	0	0	0	0	119.6
1700	G	24.5	Very low	31.4	Very low	73 Å²	73	117.2 Å²	117.2	75%	0.753	66%	0.664	S	S	*	*			trans	152.3	44.8	158.5	0	0	0	0	0	119
1701	F	29.9	Very low	33.7	Very low	179 Å²	179	112.7 Å²	112.7	79%	0.785	64%	0.639	S	S	*	*			trans	-121.2	145.6	169.2	-78.2	-91.6	0	0	0	111
1702	N	31.1	Very low	36.1	Very low	153 Å²	153	110.2 Å²	110.2	82%	0.818	63%	0.625	S	S	*	*			trans	-95.7	138.3	177.7	-61.9	-37.5	0	0	0	109.3
1703	N	26.9	Very low	39	Very low	134 Å²	134	102.6 Å²	102.6	72%	0.717	58%	0.584	S	S	*	*	S	Bend	trans	2.9	115.9	159	-44.7	-13.8	0	0	0	114.7
1704	D	26.4	Very low	41.9	Very low	108 Å²	108	99.1 Å²	99.1	58%	0.578	55%	0.548	S	S	*	.				-153.9	40.9	63	-92.7	-44.6	0	0	0	115.3	R1654 Y1706	R1654-D1704 IonicContact CZ-OD1 2.77Å; R1654-D1704 IonicContact NH2-OD1 3.66Å; R1654-D1704 PolarHBondContact NH2-OD1 2.95Å; R1654-D1704 IonicContact NH2-OD2 2.63Å; D1704-Y1706 PolarHBondContact O-N 3.49Å
1705	N	27.6	Very low	44.7	Very low	84 Å²	84	92.9 Å²	92.9	45%	0.449	51%	0.509	S	S	.	.			trans	-67.8	87.9	174	-68.7	24.6	0	0	0	112.2	N2018	N1705-N2018 VanDerWaalsContact CG-ND2 3.31Å; N1705-N2018 VanDerWaalsContact ND2-CG 3.34Å; N1705-N2018 PolarHBondContact ND2-ND2 2.84Å; N1705-N2018 PolarHBondContact ND2-OD1 3.25Å; N1705-N2018 PolarHBondContact OD1-ND2 3.45Å; N1705-N2018 PolarHBondContact OD1-OD1 2.9Å
1706	Y	28.8	Very low	47.5	Very low	170 Å²	170	85.5 Å²	85.5	67%	0.667	48%	0.475	S	S	*	.			trans	-110.4	85.7	158.7	-102.8	-98.6	0	0	0	108.4	D1704	D1704-Y1706 PolarHBondContact O-N 3.49Å
1707	F	32.9	Very low	49.9	Very low	138 Å²	138	81 Å²	81	61%	0.605	45%	0.447	S	S	*	.			trans	10.9	111.5	172.5	-67.2	-87.2	0	0	0	116.8	L1709	F1707-L1709 PolarHBondContact O-N 3.39Å
1708	N	39.2	Very low	51.6	Low	82 Å²	82	74 Å²	74	44%	0.439	41%	0.411	S	S	.	.			trans	-70.7	74.7	167.5	-70.2	-68.3	0	0	0	110.7	H1710 D2021 Q2024	N1708-H1710 VanDerWaalsContact C-N 3.31Å; N1708-H1710 PolarHBondContact O-CD2 2.54Å; N1708-H1710 PolarHBondContact O-N 3.11Å; N1708-D2021 WeakPolarHBondContact CB-OD1 3.49Å; N1708-D2021 PolarHBondContact ND2-OD1 2.99Å; N1708-D2021 PolarHBondContact ND2-OD2 2.87Å; N1708-Q2024 PolarHBondContact O-OE1 2.92Å
1709	L	51.2	Low	53.1	Low	78 Å²	78	72.2 Å²	72.2	41%	0.408	40%	0.401	S	S	.	.			trans	-65.2	87.6	179.1	-178.2	68.8	0	0	0	110.1	P1650 F1652 F1707 I1711	P1650-L1709 WeakPolarHBondContact CD-O 3.02Å; F1652-L1709 HydrophobicContact CE2-CB 4.24Å; F1652-L1709 HydrophobicContact CE2-CD2 4.45Å; F1652-L1709 HydrophobicContact CZ-CD2 4.34Å; F1707-L1709 PolarHBondContact O-N 3.39Å; L1709-I1711 HydrophobicContact CD2-CD1 4.16Å; L1709-I1711 HydrophobicContact CD2-CG1 4.42Å; L1709-I1711 HydrophobicContact CG-CD1 4.36Å; L1709-I1711 HydrophobicContact CG-CG1 4.09Å; L1709-I1711 PolarHBondContact O-N 2.94Å
1710	H	67.2	Low	54.4	Low	48 Å²	48	73.1 Å²	73.1	22%	0.222	39%	0.386	C	S	.	.			trans	-77.2	111.8	178.2	-75.2	-168	0	0	0	109.8	V1647 C1649 N1708 Y2025 M2028	V1647-H1710 HydrophobicContact CG1-CB 3.53Å; C1649-H1710 PolarHBondContact SG-CD2 3.49Å; C1649-H1710 PolarHBondContact SG-NE2 3.24Å; C1649-H1710 VanDerWaalsContact SG-NE2 3.39Å; N1708-H1710 VanDerWaalsContact C-N 3.31Å; N1708-H1710 PolarHBondContact O-CD2 2.54Å; N1708-H1710 PolarHBondContact O-N 3.11Å; H1710-Y2025 AromaticContact ND1-CD2 3.82Å; H1710-M2028 HydrophobicContact CB-CE 4.28Å; H1710-M2028 HydrophobicContact CB-SD 4.07Å
1711	I	73.8	Confident	55.6	Low	47 Å²	47	74.2 Å²	74.2	24%	0.241	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.1	178.8	-56.8	174.5	0	0	0	108	V1647 W1648 P1650 L1709 V1713 L1749	V1647-I1711 CarbonylContact C-O 3.57Å; V1647-I1711 WeakPolarHBondContact CA-O 3.05Å; W1648-I1711 HydrophobicContact CB-CB 4.42Å; W1648-I1711 HydrophobicContact CD2-CD1 4.44Å; W1648-I1711 HydrophobicContact CE3-CD1 3.76Å; W1648-I1711 HydrophobicContact CZ3-CD1 4.06Å; W1648-I1711 PolarHBondContact N-O 2.04Å; W1648-I1711 PolarHBondContact O-N 3.13Å; P1650-I1711 HydrophobicContact CG-CD1 3.97Å; L1709-I1711 HydrophobicContact CD2-CD1 4.16Å; L1709-I1711 HydrophobicContact CD2-CG1 4.42Å; L1709-I1711 HydrophobicContact CG-CD1 4.36Å; L1709-I1711 HydrophobicContact CG-CG1 4.09Å; L1709-I1711 PolarHBondContact O-N 2.94Å; I1711-V1713 HydrophobicContact CG2-CG1 4.02Å; I1711-V1713 PolarHBondContact O-N 2.88Å; I1711-L1749 HydrophobicContact CG2-CD1 4.24Å
1712	P	77.9	Confident	56.5	Low	61 Å²	61	65.8 Å²	65.8	40%	0.396	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.1	175.7	28.4	-33.2	0	0	0	110.6	Y1763 M2028	P1712-Y1763 PolarHBondContact O-N 3.36Å; P1712-M2028 HydrophobicContact CB-SD 4.46Å; P1712-M2028 HydrophobicContact CG-SD 4.44Å
1713	V	87.4	Confident	57.4	Low	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.7	-171.4	-64.6	0	0	0	0	112.8	L1629 C1645 G1646 W1648 I1711 I1715 L1749 I1760 T1761	L1629-V1713 HydrophobicContact CD2-CG2 4.27Å; C1645-V1713 CarbonylContact C-O 3.56Å; G1646-V1713 PolarHBondContact N-O 3.27Å; G1646-V1713 PolarHBondContact O-N 2.79Å; W1648-V1713 HydrophobicContact CB-CG1 3.82Å; W1648-V1713 HydrophobicContact CB-CG2 4.15Å; I1711-V1713 HydrophobicContact CG2-CG1 4.02Å; I1711-V1713 PolarHBondContact O-N 2.88Å; V1713-I1715 HydrophobicContact CG2-CD1 4.18Å; V1713-I1715 HydrophobicContact CG2-CG1 3.89Å; V1713-L1749 HydrophobicContact CG1-CD1 3.72Å; V1713-I1760 HydrophobicContact CB-CG2 3.73Å; V1713-I1760 HydrophobicContact CG1-CG2 3.77Å; V1713-I1760 HydrophobicContact CG2-CG2 3.96Å; V1713-T1761 CarbonylContact C-O 3.11Å; V1713-T1761 WeakPolarHBondContact CA-O 3.39Å; V1713-T1761 VanDerWaalsContact CB-O 3.32Å; V1713-T1761 WeakPolarHBondContact CB-O 3.35Å
1714	A	87.8	Confident	58.7	Low	9 Å²	9	59.3 Å²	59.3	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.9	163.2	0	0	0	0	0	109.2	I1635 V1643 Y1644 I1760 T1761	I1635-A1714 HydrophobicContact CD1-CB 4.24Å; V1643-A1714 HydrophobicContact CG1-CB 4.15Å; Y1644-A1714 WeakPolarHBondContact O-CA 3.27Å; A1714-I1760 WeakPolarHBondContact O-CA 3.39Å; A1714-T1761 PolarHBondContact N-O 2.96Å; A1714-T1761 PolarHBondContact O-N 3.09Å; A1714-T1761 PolarHBondContact O-OG1 3.14Å
1715	I	87.1	Confident	60.2	Low	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	95.3	-172.6	-53	178.6	0	0	0	107.8	L1629 R1631 V1643 Y1644 V1713 V1717 Q1758 L1759 I1760	L1629-I1715 HydrophobicContact CB-CD1 4.42Å; L1629-I1715 HydrophobicContact CD1-CD1 4.43Å; L1629-I1715 HydrophobicContact CD2-CD1 4.08Å; R1631-I1715 HydrophobicContact CB-CD1 4.39Å; V1643-I1715 WeakPolarHBondContact CA-O 3.37Å; Y1644-I1715 PolarHBondContact N-O 3.24Å; Y1644-I1715 PolarHBondContact O-N 3.06Å; V1713-I1715 HydrophobicContact CG2-CD1 4.18Å; V1713-I1715 HydrophobicContact CG2-CG1 3.89Å; I1715-V1717 HydrophobicContact CG2-CG2 3.81Å; I1715-Q1758 HydrophobicContact CG2-CB 4.08Å; I1715-L1759 WeakPolarHBondContact CA-O 3.32Å; I1715-I1760 HydrophobicContact CB-CD1 4.26Å; I1715-I1760 HydrophobicContact CG1-CD1 4.08Å; I1715-I1760 HydrophobicContact CG2-CD1 3.8Å
1716	K	85	Confident	61.6	Low	24 Å²	24	55.9 Å²	55.9	10%	0.104	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.5	177.8	-177.7	-174.7	-165.4	-174.3	0	109.2	V1643 L1730 E1733 Q1758 L1759 D1826	V1643-K1716 HydrophobicContact CG2-CB 4.21Å; V1643-K1716 HydrophobicContact CG2-CG 4.14Å; K1716-L1730 HydrophobicContact CD-CD1 4.4Å; K1716-E1733 IonicContact NZ-OE1 2.72Å; K1716-E1733 PolarHBondContact NZ-OE1 2.04Å; K1716-E1733 IonicContact NZ-OE2 3.8Å; K1716-E1733 PolarHBondContact NZ-OE2 2.94Å; K1716-Q1758 CarbonylContact O-C 3.55Å; K1716-Q1758 VanDerWaalsContact O-CA 3.23Å; K1716-Q1758 WeakPolarHBondContact O-CA 3.46Å; K1716-L1759 HydrophobicContact CB-CB 4.27Å; K1716-L1759 PolarHBondContact N-O 2.97Å; K1716-L1759 PolarHBondContact O-N 2.73Å; K1716-D1826 IonicContact NZ-OD1 3.78Å; K1716-D1826 PolarHBondContact NZ-OD1 2.82Å
1717	V	79.4	Confident	63.3	Low	4 Å²	4	49.6 Å²	49.6	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	129.3	-173.6	-173.5	0	0	0	0	110.4	G1641 T1642 Y1644 I1715 K1756 Q1758	G1641-V1717 CarbonylContact C-O 3.55Å; G1641-V1717 WeakPolarHBondContact CA-O 3.15Å; T1642-V1717 PolarHBondContact N-O 3.42Å; T1642-V1717 PolarHBondContact O-N 2.9Å; Y1644-V1717 HydrophobicContact CD2-CG2 3.88Å; Y1644-V1717 HydrophobicContact CE2-CB 4.27Å; Y1644-V1717 HydrophobicContact CE2-CG2 3.98Å; I1715-V1717 HydrophobicContact CG2-CG2 3.81Å; V1717-K1756 HydrophobicContact CG1-CB 3.82Å; V1717-K1756 HydrophobicContact CG1-CD 3.7Å; V1717-K1756 HydrophobicContact CG1-CG 4.43Å; V1717-Q1758 HydrophobicContact CG1-CG 4.44Å; V1717-Q1758 HydrophobicContact CG2-CB 4.26Å; V1717-Q1758 HydrophobicContact CG2-CG 4.19Å
1718	L	65.7	Low	64.9	Low	4 Å²	4	47.5 Å²	47.5	2%	0.021	26%	0.264	C	S	.	.			trans	-56.5	144.6	176.4	-74.3	172.5	0	0	0	113.4	A1722 T1726 N1727 L1730 L1757	L1718-A1722 HydrophobicContact CB-CB 3.83Å; L1718-A1722 HydrophobicContact CD1-CB 3.84Å; L1718-A1722 HydrophobicContact CD2-CB 3.89Å; L1718-A1722 HydrophobicContact CG-CB 4.07Å; L1718-T1726 HydrophobicContact CD2-CG2 3.79Å; L1718-N1727 WeakPolarHBondContact CD1-OD1 3.09Å; L1718-L1730 HydrophobicContact CD1-CD2 3.81Å; L1718-L1730 HydrophobicContact CD2-CB 4.43Å; L1718-L1730 HydrophobicContact CD2-CD2 3.52Å; L1718-L1730 HydrophobicContact CG-CD2 3.4Å; L1718-L1757 HydrophobicContact CD1-CB 3.97Å; L1718-L1757 PolarHBondContact N-O 3.22Å
1719	S	60.1	Low	66.1	Low	40 Å²	40	46.7 Å²	46.7	28%	0.28	26%	0.257	S	S	.	.			trans	-66	154	167.3	55.3	0	0	0	0	111.3	S1721 A1722	S1719-S1721 PolarHBondContact O-N 2.83Å; S1719-S1721 PolarHBondContact OG-OG 2.91Å; S1719-A1722 WeakPolarHBondContact O-CB 3.4Å; S1719-A1722 PolarHBondContact O-N 2.91Å
1720	D	53.1	Low	66.6	Low	99 Å²	99	43.2 Å²	43.2	53%	0.529	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-6.9	-179.1	-62.6	-85.9	0	0	0	114.8	K1756	D1720-K1756 WeakPolarHBondContact OD1-CE 3.31Å; D1720-K1756 IonicContact OD1-NZ 3.15Å; D1720-K1756 PolarHBondContact OD1-NZ 2.8Å; D1720-K1756 IonicContact OD2-NZ 3.68Å; D1720-K1756 PolarHBondContact OD2-NZ 3.36Å
1721	S	48.4	Very low	66.8	Low	97 Å²	97	44.3 Å²	44.3	68%	0.678	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-0	176.3	51.8	0	0	0	0	115.1	S1719 D1723	S1719-S1721 PolarHBondContact O-N 2.83Å; S1719-S1721 PolarHBondContact OG-OG 2.91Å; S1721-D1723 PolarHBondContact O-N 3.25Å; S1721-D1723 VanDerWaalsContact O-N 3.14Å
1722	A	48.7	Very low	66.6	Low	2 Å²	2	45.6 Å²	45.6	2%	0.017	25%	0.251	C	S	.	.			trans	-71	105.5	-170.6	0	0	0	0	0	113.5	S148 L1718 S1719 T1726 N1727	S148-A1722 WeakPolarHBondContact CB-O 3.17Å; L1718-A1722 HydrophobicContact CB-CB 3.83Å; L1718-A1722 HydrophobicContact CD1-CB 3.84Å; L1718-A1722 HydrophobicContact CD2-CB 3.89Å; L1718-A1722 HydrophobicContact CG-CB 4.07Å; S1719-A1722 WeakPolarHBondContact O-CB 3.4Å; S1719-A1722 PolarHBondContact O-N 2.91Å; A1722-T1726 HydrophobicContact CB-CG2 3.89Å; A1722-N1727 PolarHBondContact O-ND2 3.35Å
1723	D	49.8	Very low	66.2	Low	78 Å²	78	43 Å²	43	42%	0.417	23%	0.234	S	C	.	.			trans	-65.6	171.9	178.1	68.4	24.4	0	0	0	112.8	S1721 Q1725 T1726 N1727	S1721-D1723 PolarHBondContact O-N 3.25Å; S1721-D1723 VanDerWaalsContact O-N 3.14Å; D1723-Q1725 PolarHBondContact O-N 2.96Å; D1723-Q1725 WeakPolarHBondContact OD1-CA 3.38Å; D1723-Q1725 WeakPolarHBondContact OD1-CB 3.48Å; D1723-Q1725 PolarHBondContact OD1-N 2.66Å; D1723-Q1725 VanDerWaalsContact OD1-N 3.07Å; D1723-T1726 PolarHBondContact N-OG1 3.07Å; D1723-T1726 WeakPolarHBondContact O-CB 3.34Å; D1723-T1726 PolarHBondContact O-N 2.82Å; D1723-T1726 VanDerWaalsContact O-N 3.12Å; D1723-T1726 WeakPolarHBondContact OD1-CB 3.27Å; D1723-T1726 PolarHBondContact OD1-N 3.16Å; D1723-T1726 PolarHBondContact OD1-OG1 3.36Å; D1723-N1727 PolarHBondContact O-N 2.96Å; D1723-N1727 PolarHBondContact O-ND2 3.3Å
1724	P	55.7	Low	65.5	Low	73 Å²	73	43 Å²	43	47%	0.474	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-27.1	178.8	-26.2	36.6	0	0	0	113.9	R149 K1728	R149-P1724 HydrophobicContact CG-CG 4.38Å; P1724-K1728 WeakPolarHBondContact O-CB 3.49Å; P1724-K1728 PolarHBondContact O-N 3.01Å
1725	Q	58	Low	64.8	Low	88 Å²	88	45.8 Å²	45.8	41%	0.411	24%	0.244	S	C	.	.	H	α-helix	trans	-73.8	-35.2	176.2	174.6	61.9	24.1	0	0	111	D1723 K1728 E1729	D1723-Q1725 PolarHBondContact O-N 2.96Å; D1723-Q1725 WeakPolarHBondContact OD1-CA 3.38Å; D1723-Q1725 WeakPolarHBondContact OD1-CB 3.48Å; D1723-Q1725 PolarHBondContact OD1-N 2.66Å; D1723-Q1725 VanDerWaalsContact OD1-N 3.07Å; Q1725-K1728 CarbonylContact O-C 3.39Å; Q1725-K1728 WeakPolarHBondContact O-CB 3.11Å; Q1725-K1728 PolarHBondContact O-N 2.81Å; Q1725-E1729 WeakPolarHBondContact CG-OE1 3.31Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.77Å; Q1725-E1729 WeakPolarHBondContact O-CB 3.22Å; Q1725-E1729 WeakPolarHBondContact O-CG 3.39Å; Q1725-E1729 PolarHBondContact O-N 3.04Å
1726	T	56.4	Low	64.3	Low	31 Å²	31	46.1 Å²	46.1	19%	0.19	25%	0.246	C	C	.	.	H	α-helix	trans	-68	-39.9	173.7	-48.3	0	0	0	0	111	L1718 A1722 D1723 K1728 E1729 L1730	L1718-T1726 HydrophobicContact CD2-CG2 3.79Å; A1722-T1726 HydrophobicContact CB-CG2 3.89Å; D1723-T1726 PolarHBondContact N-OG1 3.07Å; D1723-T1726 WeakPolarHBondContact O-CB 3.34Å; D1723-T1726 PolarHBondContact O-N 2.82Å; D1723-T1726 VanDerWaalsContact O-N 3.12Å; D1723-T1726 WeakPolarHBondContact OD1-CB 3.27Å; D1723-T1726 PolarHBondContact OD1-N 3.16Å; D1723-T1726 PolarHBondContact OD1-OG1 3.36Å; T1726-K1728 VanDerWaalsContact C-N 3.32Å; T1726-E1729 PolarHBondContact O-N 2.99Å; T1726-L1730 WeakPolarHBondContact O-CB 3.26Å; T1726-L1730 PolarHBondContact O-N 2.92Å
1727	N	64.7	Low	63.9	Low	38 Å²	38	45.2 Å²	45.2	20%	0.203	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-38	171.3	-76.9	-82.8	0	0	0	111.8	L1718 A1722 D1723 L1731	L1718-N1727 WeakPolarHBondContact CD1-OD1 3.09Å; A1722-N1727 PolarHBondContact O-ND2 3.35Å; D1723-N1727 PolarHBondContact O-N 2.96Å; D1723-N1727 PolarHBondContact O-ND2 3.3Å; N1727-L1731 WeakPolarHBondContact O-CB 2.96Å; N1727-L1731 WeakPolarHBondContact O-CG 3.49Å; N1727-L1731 PolarHBondContact O-N 2.91Å
1728	K	65.8	Low	63.7	Low	95 Å²	95	45.4 Å²	45.4	41%	0.413	24%	0.244	S	C	.	.	H	α-helix	trans	-67.8	-45.3	174.9	-179.6	-175.5	170.3	-166.3	0	111.6	P1724 Q1725 T1726 L1730 L1731 E1732	P1724-K1728 WeakPolarHBondContact O-CB 3.49Å; P1724-K1728 PolarHBondContact O-N 3.01Å; Q1725-K1728 CarbonylContact O-C 3.39Å; Q1725-K1728 WeakPolarHBondContact O-CB 3.11Å; Q1725-K1728 PolarHBondContact O-N 2.81Å; T1726-K1728 VanDerWaalsContact C-N 3.32Å; K1728-L1730 VanDerWaalsContact C-N 3.34Å; K1728-L1730 PolarHBondContact O-N 3.41Å; K1728-L1731 CarbonylContact O-C 3.5Å; K1728-L1731 WeakPolarHBondContact O-CA 2.97Å; K1728-L1731 WeakPolarHBondContact O-CB 3.4Å; K1728-L1731 PolarHBondContact O-N 2.92Å; K1728-L1731 VanDerWaalsContact O-N 3.14Å; K1728-E1732 WeakPolarHBondContact O-CG 3.33Å; K1728-E1732 PolarHBondContact O-N 3.22Å
1729	E	64.1	Low	64.3	Low	64 Å²	64	46.8 Å²	46.8	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-59.4	-43.3	175.4	-77.4	168.4	-165.3	0	0	111.4	Q1725 T1726 L1731 E1732 E1733	Q1725-E1729 WeakPolarHBondContact CG-OE1 3.31Å; Q1725-E1729 PolarHBondContact NE2-OE1 2.77Å; Q1725-E1729 WeakPolarHBondContact O-CB 3.22Å; Q1725-E1729 WeakPolarHBondContact O-CG 3.39Å; Q1725-E1729 PolarHBondContact O-N 3.04Å; T1726-E1729 PolarHBondContact O-N 2.99Å; E1729-L1731 VanDerWaalsContact C-N 3.33Å; E1729-L1731 PolarHBondContact O-N 2.84Å; E1729-E1732 CarbonylContact O-C 3.59Å; E1729-E1732 PolarHBondContact O-N 2.81Å; E1729-E1732 VanDerWaalsContact O-N 3.16Å; E1729-E1733 PolarHBondContact O-N 2.85Å
1730	L	62.9	Low	65.2	Low	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-26	175.6	-171.2	61.6	0	0	0	113.4	K1716 L1718 T1726 K1728 E1733 A1734 L1757 L1759	K1716-L1730 HydrophobicContact CD-CD1 4.4Å; L1718-L1730 HydrophobicContact CD1-CD2 3.81Å; L1718-L1730 HydrophobicContact CD2-CB 4.43Å; L1718-L1730 HydrophobicContact CD2-CD2 3.52Å; L1718-L1730 HydrophobicContact CG-CD2 3.4Å; T1726-L1730 WeakPolarHBondContact O-CB 3.26Å; T1726-L1730 PolarHBondContact O-N 2.92Å; K1728-L1730 VanDerWaalsContact C-N 3.34Å; K1728-L1730 PolarHBondContact O-N 3.41Å; L1730-E1733 HydrophobicContact CD1-CB 4.24Å; L1730-E1733 HydrophobicContact CD1-CG 4.49Å; L1730-E1733 WeakPolarHBondContact CD1-OE2 3.44Å; L1730-A1734 WeakPolarHBondContact O-CB 3.18Å; L1730-A1734 PolarHBondContact O-N 2.83Å; L1730-L1757 HydrophobicContact CB-CD2 4.11Å; L1730-L1757 HydrophobicContact CD2-CB 4.24Å; L1730-L1757 HydrophobicContact CD2-CD2 3.96Å; L1730-L1757 HydrophobicContact CD2-CG 4.11Å; L1730-L1757 HydrophobicContact CG-CD2 3.94Å; L1730-L1757 HydrophobicContact CG-CG 4.5Å; L1730-L1759 HydrophobicContact CD1-CD1 3.56Å; L1730-L1759 HydrophobicContact CD1-CD2 3.64Å; L1730-L1759 HydrophobicContact CD1-CG 4.19Å; L1730-L1759 HydrophobicContact CD2-CD1 3.8Å; L1730-L1759 HydrophobicContact CG-CD1 3.45Å; L1730-L1759 VanDerWaalsContact CG-CD1 3.45Å; L1730-L1759 HydrophobicContact CG-CD2 4.39Å
1731	L	71.6	Confident	66.6	Low	71 Å²	71	45.3 Å²	45.3	37%	0.372	24%	0.242	S	C	.	.	H	α-helix	trans	-72.7	-35.7	167.5	-84.7	164.5	0	0	0	112.3	N1727 K1728 E1729 K1735 L1751 L1757	N1727-L1731 WeakPolarHBondContact O-CB 2.96Å; N1727-L1731 WeakPolarHBondContact O-CG 3.49Å; N1727-L1731 PolarHBondContact O-N 2.91Å; K1728-L1731 CarbonylContact O-C 3.5Å; K1728-L1731 WeakPolarHBondContact O-CA 2.97Å; K1728-L1731 WeakPolarHBondContact O-CB 3.4Å; K1728-L1731 PolarHBondContact O-N 2.92Å; K1728-L1731 VanDerWaalsContact O-N 3.14Å; E1729-L1731 VanDerWaalsContact C-N 3.33Å; E1729-L1731 PolarHBondContact O-N 2.84Å; L1731-K1735 WeakPolarHBondContact O-CB 3.43Å; L1731-K1735 WeakPolarHBondContact O-CD 3.31Å; L1731-K1735 WeakPolarHBondContact O-CG 3.21Å; L1731-K1735 PolarHBondContact O-N 2.91Å; L1731-L1751 HydrophobicContact CD2-CD2 3.95Å; L1731-L1757 HydrophobicContact CD2-CD2 4.34Å; L1731-L1757 HydrophobicContact CG-CD2 3.87Å
1732	E	69.6	Low	68.4	Low	75 Å²	75	42.3 Å²	42.3	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-68.1	-37.2	169.7	-59.6	-45.7	134.9	0	0	111.5	K1728 E1729 K1735 V1736	K1728-E1732 WeakPolarHBondContact O-CG 3.33Å; K1728-E1732 PolarHBondContact O-N 3.22Å; E1729-E1732 CarbonylContact O-C 3.59Å; E1729-E1732 PolarHBondContact O-N 2.81Å; E1729-E1732 VanDerWaalsContact O-N 3.16Å; E1732-K1735 VanDerWaalsContact CD-NZ 3.26Å; E1732-K1735 WeakPolarHBondContact O-CB 3.09Å; E1732-K1735 PolarHBondContact O-N 2.85Å; E1732-K1735 IonicContact OE1-NZ 3.94Å; E1732-K1735 PolarHBondContact OE1-NZ 3.09Å; E1732-K1735 WeakPolarHBondContact OE2-CD 3.49Å; E1732-K1735 IonicContact OE2-NZ 2.86Å; E1732-K1735 PolarHBondContact OE2-NZ 3.13Å; E1732-K1735 VanDerWaalsContact OE2-NZ 3.16Å; E1732-V1736 VanDerWaalsContact O-CG2 3.3Å; E1732-V1736 WeakPolarHBondContact O-CG2 3.29Å; E1732-V1736 PolarHBondContact O-N 3.22Å
1733	E	68.3	Low	70.3	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-54	170.1	-179.4	177.9	171	0	0	110.7	K1716 E1729 L1730 K1735 V1736 M1737 L1759 F1827 G1828	K1716-E1733 IonicContact NZ-OE1 2.72Å; K1716-E1733 PolarHBondContact NZ-OE1 2.04Å; K1716-E1733 IonicContact NZ-OE2 3.8Å; K1716-E1733 PolarHBondContact NZ-OE2 2.94Å; E1729-E1733 PolarHBondContact O-N 2.85Å; L1730-E1733 HydrophobicContact CD1-CB 4.24Å; L1730-E1733 HydrophobicContact CD1-CG 4.49Å; L1730-E1733 WeakPolarHBondContact CD1-OE2 3.44Å; E1733-K1735 PolarHBondContact O-N 2.85Å; E1733-V1736 PolarHBondContact O-N 3.36Å; E1733-V1736 VanDerWaalsContact O-N 3.1Å; E1733-M1737 HydrophobicContact CG-CG 4.08Å; E1733-M1737 HydrophobicContact CG-SD 3.9Å; E1733-M1737 WeakPolarHBondContact O-CB 3.35Å; E1733-M1737 VanDerWaalsContact O-CG 3.29Å; E1733-M1737 WeakPolarHBondContact O-CG 3.16Å; E1733-M1737 PolarHBondContact O-N 2.91Å; E1733-L1759 HydrophobicContact CB-CD2 4.34Å; E1733-L1759 HydrophobicContact CG-CD2 3.85Å; E1733-F1827 HydrophobicContact CG-CB 4.18Å; E1733-G1828 VanDerWaalsContact OE2-CA 3.24Å; E1733-G1828 WeakPolarHBondContact OE2-CA 3.43Å
1734	A	73.9	Confident	72.3	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-36.4	178.8	0	0	0	0	0	112.5	L1730 A1738 F1748 L1751 L1759	L1730-A1734 WeakPolarHBondContact O-CB 3.18Å; L1730-A1734 PolarHBondContact O-N 2.83Å; A1734-A1738 WeakPolarHBondContact O-CB 3.46Å; A1734-A1738 PolarHBondContact O-N 3.32Å; A1734-F1748 HydrophobicContact CB-CE2 4.38Å; A1734-F1748 HydrophobicContact CB-CZ 4.15Å; A1734-L1751 HydrophobicContact CB-CD1 3.84Å; A1734-L1751 HydrophobicContact CB-CD2 4.41Å; A1734-L1759 HydrophobicContact CB-CD1 4.3Å; A1734-L1759 HydrophobicContact CB-CD2 4.09Å; A1734-L1759 HydrophobicContact CB-CG 4.15Å
1735	K	73.4	Confident	73.9	Confident	67 Å²	67	39.8 Å²	39.8	29%	0.291	21%	0.205	S	C	.	.	H	α-helix	trans	-64.8	-47.5	172.8	-81.2	171.1	-177.7	175.6	0	112.7	P1616 L1731 E1732 E1733	P1616-K1735 HydrophobicContact CB-CB 4.37Å; P1616-K1735 WeakPolarHBondContact CB-O 3.32Å; P1616-K1735 HydrophobicContact CG-CB 3.52Å; P1616-K1735 HydrophobicContact CG-CD 4.38Å; P1616-K1735 HydrophobicContact CG-CG 3.83Å; P1616-K1735 WeakPolarHBondContact CG-O 3.39Å; L1731-K1735 WeakPolarHBondContact O-CB 3.43Å; L1731-K1735 WeakPolarHBondContact O-CD 3.31Å; L1731-K1735 WeakPolarHBondContact O-CG 3.21Å; L1731-K1735 PolarHBondContact O-N 2.91Å; E1732-K1735 VanDerWaalsContact CD-NZ 3.26Å; E1732-K1735 WeakPolarHBondContact O-CB 3.09Å; E1732-K1735 PolarHBondContact O-N 2.85Å; E1732-K1735 IonicContact OE1-NZ 3.94Å; E1732-K1735 PolarHBondContact OE1-NZ 3.09Å; E1732-K1735 WeakPolarHBondContact OE2-CD 3.49Å; E1732-K1735 IonicContact OE2-NZ 2.86Å; E1732-K1735 PolarHBondContact OE2-NZ 3.13Å; E1732-K1735 VanDerWaalsContact OE2-NZ 3.16Å; E1733-K1735 PolarHBondContact O-N 2.85Å
1736	V	76.1	Confident	75.4	Confident	7 Å²	7	35.6 Å²	35.6	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-52.9	176.4	173.4	0	0	0	0	109.3	E1732 E1733 A1738 T1739 I1804 F1827 A1830	E1732-V1736 VanDerWaalsContact O-CG2 3.3Å; E1732-V1736 WeakPolarHBondContact O-CG2 3.29Å; E1732-V1736 PolarHBondContact O-N 3.22Å; E1733-V1736 PolarHBondContact O-N 3.36Å; E1733-V1736 VanDerWaalsContact O-N 3.1Å; V1736-A1738 VanDerWaalsContact C-N 3.27Å; V1736-A1738 PolarHBondContact O-N 3.4Å; V1736-T1739 WeakPolarHBondContact O-CB 3.38Å; V1736-T1739 PolarHBondContact O-N 2.83Å; V1736-T1739 PolarHBondContact O-OG1 2.97Å; V1736-I1804 HydrophobicContact CG1-CD1 4.31Å; V1736-I1804 HydrophobicContact CG1-CG2 3.78Å; V1736-F1827 HydrophobicContact CG1-CB 4.37Å; V1736-F1827 HydrophobicContact CG1-CD1 4.22Å; V1736-A1830 HydrophobicContact CG1-CB 4.1Å
1737	M	76	Confident	76.6	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.02	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-35.3	-179.4	-67.8	-166.2	75.6	0	0	113	E1733 T1739 V1740 F1748 L1759 T1761 F1827	E1733-M1737 HydrophobicContact CG-CG 4.08Å; E1733-M1737 HydrophobicContact CG-SD 3.9Å; E1733-M1737 WeakPolarHBondContact O-CB 3.35Å; E1733-M1737 VanDerWaalsContact O-CG 3.29Å; E1733-M1737 WeakPolarHBondContact O-CG 3.16Å; E1733-M1737 PolarHBondContact O-N 2.91Å; M1737-T1739 PolarHBondContact O-N 2.91Å; M1737-V1740 PolarHBondContact O-N 2.96Å; M1737-F1748 HydrophobicContact CB-CB 3.96Å; M1737-F1748 HydrophobicContact CB-CD2 3.93Å; M1737-F1748 HydrophobicContact CB-CG 4.08Å; M1737-F1748 HydrophobicContact SD-CD2 4.41Å; M1737-L1759 HydrophobicContact SD-CD2 4.22Å; M1737-T1761 HydrophobicContact CE-CG2 3.66Å; M1737-F1827 HydrophobicContact CE-CD2 3.85Å; M1737-F1827 HydrophobicContact CE-CE2 4.27Å; M1737-F1827 HydrophobicContact CG-CB 3.71Å; M1737-F1827 HydrophobicContact CG-CD2 3.6Å; M1737-F1827 HydrophobicContact CG-CG 3.88Å; M1737-F1827 HydrophobicContact SD-CB 4.43Å; M1737-F1827 HydrophobicContact SD-CD2 4.03Å
1738	A	76.2	Confident	77.5	Confident	8 Å²	8	37.1 Å²	37.1	7%	0.066	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.1	174.2	0	0	0	0	0	114.1	T1620 L1621 A1734 V1736 F1748	T1620-A1738 PolarHBondContact OG1-O 2.87Å; L1621-A1738 HydrophobicContact CB-CB 4.18Å; L1621-A1738 HydrophobicContact CD1-CB 4.36Å; L1621-A1738 HydrophobicContact CG-CB 4.47Å; A1734-A1738 WeakPolarHBondContact O-CB 3.46Å; A1734-A1738 PolarHBondContact O-N 3.32Å; V1736-A1738 VanDerWaalsContact C-N 3.27Å; V1736-A1738 PolarHBondContact O-N 3.4Å; A1738-F1748 HydrophobicContact CB-CD1 4.2Å
1739	T	77	Confident	78.3	Confident	34 Å²	34	34.2 Å²	34.2	21%	0.209	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-10.4	172.9	70.2	0	0	0	0	114.4	P1616 V1736 M1737 D1741 Y1798	P1616-T1739 HydrophobicContact CB-CG2 3.86Å; P1616-T1739 HydrophobicContact CG-CG2 4.49Å; V1736-T1739 WeakPolarHBondContact O-CB 3.38Å; V1736-T1739 PolarHBondContact O-N 2.83Å; V1736-T1739 PolarHBondContact O-OG1 2.97Å; M1737-T1739 PolarHBondContact O-N 2.91Å; T1739-D1741 PolarHBondContact O-N 3.09Å; T1739-Y1798 PolarHBondContact O-OH 2.97Å
1740	V	79	Confident	79.2	Confident	6 Å²	6	31.1 Å²	31.1	4%	0.036	16%	0.16	C	C	.	.			trans	-91.5	106	-175.1	178.8	0	0	0	0	109.9	M1737 C1745 Y1798 L1799 I1804 F1827	M1737-V1740 PolarHBondContact O-N 2.96Å; V1740-C1745 HydrophobicContact CG1-CB 3.37Å; V1740-Y1798 HydrophobicContact CG1-CE1 4.32Å; V1740-L1799 HydrophobicContact CG1-CD2 4.16Å; V1740-L1799 HydrophobicContact CG2-CD2 3.71Å; V1740-I1804 HydrophobicContact CG2-CD1 3.86Å; V1740-F1827 HydrophobicContact CG1-CZ 4.03Å; V1740-F1827 HydrophobicContact CG2-CE1 4.13Å; V1740-F1827 HydrophobicContact CG2-CZ 4.3Å
1741	D	82.2	Confident	80.2	Confident	101 Å²	101	31.1 Å²	31.1	54%	0.54	16%	0.16	S	C	.	.			trans	-132.1	92.7	173.9	-169.6	20.8	0	0	0	108.5	T1739 Y1798	T1739-D1741 PolarHBondContact O-N 3.09Å; D1741-Y1798 PolarHBondContact N-OH 3.14Å; D1741-Y1798 WeakPolarHBondContact O-CE2 3.33Å; D1741-Y1798 PolarHBondContact O-OH 2.97Å
1742	H	87.7	Confident	80.7	Confident	35 Å²	35	27.7 Å²	27.7	16%	0.162	14%	0.142	C	C	.	.			trans	-155.9	136.5	-177.2	-177.9	-100.9	0	0	0	109.6	C1744 C1745 S1794 Y1798	H1742-C1744 PolarHBondContact ND1-N 2.9Å; H1742-C1744 PolarHBondContact O-N 2.95Å; H1742-C1744 VanDerWaalsContact O-N 3.07Å; H1742-C1745 HydrophobicContact CB-CB 4.35Å; H1742-C1745 PolarHBondContact O-N 2.87Å; H1742-C1745 VanDerWaalsContact O-O 3.09Å; H1742-S1794 PolarHBondContact CE1-O 2.97Å; H1742-Y1798 HydrophobicContact CB-CD1 3.65Å; H1742-Y1798 HydrophobicContact CB-CD2 3.85Å; H1742-Y1798 HydrophobicContact CB-CE1 3.96Å; H1742-Y1798 HydrophobicContact CB-CE2 4.11Å; H1742-Y1798 HydrophobicContact CB-CG 3.61Å; H1742-Y1798 AromaticContact CD2-CD2 3.69Å; H1742-Y1798 AromaticContact CD2-CG 3.73Å; H1742-Y1798 AromaticContact CG-CD2 3.95Å; H1742-Y1798 AromaticContact CG-CG 3.64Å
1743	P	87.1	Confident	81.1	Confident	88 Å²	88	28.8 Å²	28.8	57%	0.571	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20	-172.9	23.2	-35.7	0	0	0	115.4	Q1821 Q1823	P1743-Q1821 PolarHBondContact O-NE2 3.1Å; P1743-Q1823 WeakPolarHBondContact O-CG 3.24Å; P1743-Q1823 PolarHBondContact O-NE2 2.76Å
1744	C	92.6	Very high	81.2	Confident	9 Å²	9	30 Å²	30	6%	0.061	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	20	175.2	-53.4	0	0	0	0	113.2	H1742 Q1791 Q1823 I1824	H1742-C1744 PolarHBondContact ND1-N 2.9Å; H1742-C1744 PolarHBondContact O-N 2.95Å; H1742-C1744 VanDerWaalsContact O-N 3.07Å; C1744-Q1791 HydrophobicContact CB-CB 4.47Å; C1744-Q1791 VanDerWaalsContact CB-O 3.24Å; C1744-Q1791 WeakPolarHBondContact CB-O 3.37Å; C1744-Q1823 WeakPolarHBondContact O-CA 3.37Å; C1744-I1824 PolarHBondContact O-N 3.14Å
1745	C	90.3	Very high	80.6	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.014	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-133	142.2	174.3	-57.7	0	0	0	0	109.4	V1740 H1742 R1747 I1824 F1827	V1740-C1745 HydrophobicContact CG1-CB 3.37Å; H1742-C1745 HydrophobicContact CB-CB 4.35Å; H1742-C1745 PolarHBondContact O-N 2.87Å; H1742-C1745 VanDerWaalsContact O-O 3.09Å; C1745-R1747 PolarHBondContact O-N 2.92Å; C1745-I1824 CarbonylContact C-O 3.57Å; C1745-I1824 WeakPolarHBondContact CA-O 3.33Å; C1745-F1827 HydrophobicContact CB-CZ 4.36Å
1746	V	87.7	Confident	80.5	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-71.1	121.2	-177.3	174.4	0	0	0	0	109.9	T1761 Q1762 L1764 L1815 Q1823 I1824	V1746-T1761 HydrophobicContact CG1-CG2 4.34Å; V1746-Q1762 HydrophobicContact CG1-CG 4.09Å; V1746-L1764 HydrophobicContact CG1-CD1 4.35Å; V1746-L1764 HydrophobicContact CG2-CD1 4.25Å; V1746-L1764 HydrophobicContact CG2-CD2 4.3Å; V1746-L1815 HydrophobicContact CG2-CB 4.43Å; V1746-L1815 HydrophobicContact CG2-CD1 4.11Å; V1746-L1815 HydrophobicContact CG2-CG 4.4Å; V1746-Q1823 HydrophobicContact CG2-CB 3.59Å; V1746-I1824 PolarHBondContact N-O 2.68Å
1747	R	82	Confident	80.4	Confident	88 Å²	88	33.2 Å²	33.2	33%	0.332	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-72.3	130.8	-175.8	-174.5	173.1	-180	159.7	6.9	112.4	C1745 L1749 Q1762	C1745-R1747 PolarHBondContact O-N 2.92Å; R1747-L1749 HydrophobicContact CG-CD2 4.34Å; R1747-Q1762 HydrophobicContact CB-CG 4.41Å; R1747-Q1762 PolarHBondContact O-N 3.4Å
1748	F	83.8	Confident	80.8	Confident	14 Å²	14	33.1 Å²	33.1	6%	0.061	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.7	166.7	-165.5	-111.5	0	0	0	111.4	L1621 A1734 M1737 A1738 A1750 L1751 L1759 T1761	L1621-F1748 HydrophobicContact CG-CE1 4.16Å; A1734-F1748 HydrophobicContact CB-CE2 4.38Å; A1734-F1748 HydrophobicContact CB-CZ 4.15Å; M1737-F1748 HydrophobicContact CB-CB 3.96Å; M1737-F1748 HydrophobicContact CB-CD2 3.93Å; M1737-F1748 HydrophobicContact CB-CG 4.08Å; M1737-F1748 HydrophobicContact SD-CD2 4.41Å; A1738-F1748 HydrophobicContact CB-CD1 4.2Å; F1748-A1750 WeakPolarHBondContact CE2-O 3.24Å; F1748-A1750 WeakPolarHBondContact CZ-O 3.32Å; F1748-L1751 HydrophobicContact CZ-CB 4.04Å; F1748-L1751 HydrophobicContact CZ-CD1 4.34Å; F1748-L1759 HydrophobicContact CE2-CB 4.24Å; F1748-L1759 HydrophobicContact CE2-CD2 4.29Å; F1748-L1759 HydrophobicContact CE2-CG 3.91Å; F1748-T1761 HydrophobicContact CD2-CG2 4.41Å
1749	L	83.3	Confident	81.3	Confident	33 Å²	33	32.8 Å²	32.8	17%	0.173	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-47.1	-179.7	-59.9	-178.9	0	0	0	112.4	W1648 I1711 V1713 R1747 I1760 Q1762	W1648-L1749 HydrophobicContact CE3-CB 4.4Å; W1648-L1749 HydrophobicContact CZ3-CB 4.13Å; I1711-L1749 HydrophobicContact CG2-CD1 4.24Å; V1713-L1749 HydrophobicContact CG1-CD1 3.72Å; R1747-L1749 HydrophobicContact CG-CD2 4.34Å; L1749-I1760 WeakPolarHBondContact CB-O 3.15Å; L1749-I1760 PolarHBondContact N-O 3.09Å; L1749-Q1762 HydrophobicContact CD1-CB 4.25Å
1750	A	82.8	Confident	81.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	165.1	-179.4	0	0	0	0	0	113.7	R1622 I1624 F1748 I1760	R1622-A1750 HydrophobicContact CB-CB 4.17Å; R1622-A1750 CarbonylContact O-C 3.58Å; R1622-A1750 VanDerWaalsContact O-CA 3.25Å; R1622-A1750 WeakPolarHBondContact O-CA 3.49Å; I1624-A1750 HydrophobicContact CB-CB 4.35Å; I1624-A1750 HydrophobicContact CD1-CB 3.87Å; I1624-A1750 HydrophobicContact CG1-CB 3.81Å; I1624-A1750 HydrophobicContact CG2-CB 3.69Å; F1748-A1750 WeakPolarHBondContact CE2-O 3.24Å; F1748-A1750 WeakPolarHBondContact CZ-O 3.32Å; A1750-I1760 HydrophobicContact CB-CB 4.06Å; A1750-I1760 HydrophobicContact CB-CG1 4.24Å; A1750-I1760 PolarHBondContact N-O 3.05Å; A1750-I1760 VanDerWaalsContact N-O 3.13Å; A1750-I1760 WeakPolarHBondContact O-CA 3.07Å; A1750-I1760 WeakPolarHBondContact O-CB 3.34Å; A1750-I1760 WeakPolarHBondContact O-CG1 3.45Å; A1750-I1760 PolarHBondContact O-N 3.44Å
1751	L	84.1	Confident	82.2	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.6	169.6	-165.8	63.9	0	0	0	109.2	L1621 R1622 I1623 I1624 L1731 A1734 F1748 L1753 L1757 L1759	L1621-L1751 HydrophobicContact CD2-CB 4.03Å; L1621-L1751 HydrophobicContact CD2-CD2 4.03Å; R1622-L1751 PolarHBondContact O-N 3.31Å; I1623-L1751 WeakPolarHBondContact CA-O 3.28Å; I1624-L1751 PolarHBondContact N-O 3.02Å; L1731-L1751 HydrophobicContact CD2-CD2 3.95Å; A1734-L1751 HydrophobicContact CB-CD1 3.84Å; A1734-L1751 HydrophobicContact CB-CD2 4.41Å; F1748-L1751 HydrophobicContact CZ-CB 4.04Å; F1748-L1751 HydrophobicContact CZ-CD1 4.34Å; L1751-L1753 HydrophobicContact CD2-CD2 3.77Å; L1751-L1753 HydrophobicContact CG-CD2 3.94Å; L1751-L1757 HydrophobicContact CD1-CD1 3.75Å; L1751-L1757 HydrophobicContact CD1-CG 4.23Å; L1751-L1757 HydrophobicContact CD2-CD1 4.2Å; L1751-L1757 HydrophobicContact CG-CD1 3.91Å; L1751-L1759 HydrophobicContact CD1-CD1 3.44Å; L1751-L1759 VanDerWaalsContact CD1-CD1 3.44Å; L1751-L1759 HydrophobicContact CD1-CG 3.93Å
1752	C	82.4	Confident	82.3	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.7	175.6	-159.7	0	0	0	0	110.4	I1624 E1626 L1629 T1754 Q1758 I1760	I1624-C1752 HydrophobicContact CG1-CB 4.08Å; I1624-C1752 PolarHBondContact O-SG 3.49Å; E1626-C1752 PolarHBondContact N-SG 2.7Å; E1626-C1752 VanDerWaalsContact N-SG 3.4Å; L1629-C1752 HydrophobicContact CD1-CB 3.73Å; C1752-T1754 HydrophobicContact CB-CG2 4.2Å; C1752-T1754 PolarHBondContact O-N 2.81Å; C1752-T1754 WeakPolarHBondContact SG-CG2 3.05Å; C1752-Q1758 HydrophobicContact CB-CB 4.01Å; C1752-Q1758 HydrophobicContact CB-CG 4.28Å; C1752-Q1758 PolarHBondContact N-O 3.43Å; C1752-Q1758 PolarHBondContact O-N 2.9Å; C1752-Q1758 VanDerWaalsContact O-N 3.13Å; C1752-I1760 HydrophobicContact CB-CD1 4.22Å; C1752-I1760 HydrophobicContact CB-CG1 4.32Å
1753	L	76.3	Confident	82.1	Confident	98 Å²	98	29.7 Å²	29.7	51%	0.513	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	70.6	-175.1	-62.2	-176.3	0	0	0	111.1	I1623 L1751 L1757	I1623-L1753 HydrophobicContact CD1-CD1 3.84Å; I1623-L1753 HydrophobicContact CG1-CD1 4.11Å; I1623-L1753 HydrophobicContact CG2-CD1 3.78Å; I1623-L1753 HydrophobicContact CG2-CG 3.97Å; L1751-L1753 HydrophobicContact CD2-CD2 3.77Å; L1751-L1753 HydrophobicContact CG-CD2 3.94Å; L1753-L1757 HydrophobicContact CD2-CD1 3.51Å
1754	T	70.5	Confident	81.9	Confident	32 Å²	32	25.8 Å²	25.8	20%	0.196	13%	0.13	C	C	.	.	S	Bend	trans	-101.7	-173.9	176.8	109.8	0	0	0	0	109.8	E1626 C1752 K1756 Q1758	E1626-T1754 HydrophobicContact CB-CG2 3.72Å; E1626-T1754 HydrophobicContact CG-CG2 3.91Å; E1626-T1754 WeakPolarHBondContact OE1-CG2 3.22Å; E1626-T1754 PolarHBondContact OE1-OG1 3.05Å; E1626-T1754 WeakPolarHBondContact OE2-CB 3.04Å; C1752-T1754 HydrophobicContact CB-CG2 4.2Å; C1752-T1754 PolarHBondContact O-N 2.81Å; C1752-T1754 WeakPolarHBondContact SG-CG2 3.05Å; T1754-K1756 CarbonylContact C-O 3.55Å; T1754-K1756 CarbonylContact O-C 3.59Å; T1754-K1756 PolarHBondContact O-N 2.87Å; T1754-K1756 VanDerWaalsContact O-N 3.15Å; T1754-K1756 PolarHBondContact OG1-N 2.81Å; T1754-K1756 PolarHBondContact OG1-O 2.69Å; T1754-Q1758 HydrophobicContact CG2-CG 4.28Å; T1754-Q1758 PolarHBondContact OG1-NE2 2.82Å
1755	S	61.6	Low	80.8	Confident	72 Å²	72	26.9 Å²	26.9	50%	0.503	14%	0.137	S	C	.	.	S	Bend	trans	-69.1	-8	178.1	65.9	0	0	0	0	113.9	I3	I3-S1755 VanDerWaalsContact CD1-OG 3.29Å; I3-S1755 WeakPolarHBondContact CD1-OG 3.08Å
1756	K	70.8	Confident	80.3	Confident	57 Å²	57	27.4 Å²	27.4	25%	0.248	14%	0.14	C	C	.	.	S	Bend	trans	-118.9	131.4	156.3	-64.4	-177.1	173.7	-167.4	0	107	V1717 D1720 T1754 Q1758	V1717-K1756 HydrophobicContact CG1-CB 3.82Å; V1717-K1756 HydrophobicContact CG1-CD 3.7Å; V1717-K1756 HydrophobicContact CG1-CG 4.43Å; D1720-K1756 WeakPolarHBondContact OD1-CE 3.31Å; D1720-K1756 IonicContact OD1-NZ 3.15Å; D1720-K1756 PolarHBondContact OD1-NZ 2.8Å; D1720-K1756 IonicContact OD2-NZ 3.68Å; D1720-K1756 PolarHBondContact OD2-NZ 3.36Å; T1754-K1756 CarbonylContact C-O 3.55Å; T1754-K1756 CarbonylContact O-C 3.59Å; T1754-K1756 PolarHBondContact O-N 2.87Å; T1754-K1756 VanDerWaalsContact O-N 3.15Å; T1754-K1756 PolarHBondContact OG1-N 2.81Å; T1754-K1756 PolarHBondContact OG1-O 2.69Å; K1756-Q1758 WeakPolarHBondContact O-CG 2.99Å; K1756-Q1758 PolarHBondContact O-N 3.17Å
1757	L	75.5	Confident	80.1	Confident	12 Å²	12	28.7 Å²	28.7	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	133.6	173.2	-172.6	60.9	0	0	0	109.4	L1718 L1730 L1731 L1751 L1753 L1759	L1718-L1757 HydrophobicContact CD1-CB 3.97Å; L1718-L1757 PolarHBondContact N-O 3.22Å; L1730-L1757 HydrophobicContact CB-CD2 4.11Å; L1730-L1757 HydrophobicContact CD2-CB 4.24Å; L1730-L1757 HydrophobicContact CD2-CD2 3.96Å; L1730-L1757 HydrophobicContact CD2-CG 4.11Å; L1730-L1757 HydrophobicContact CG-CD2 3.94Å; L1730-L1757 HydrophobicContact CG-CG 4.5Å; L1731-L1757 HydrophobicContact CD2-CD2 4.34Å; L1731-L1757 HydrophobicContact CG-CD2 3.87Å; L1751-L1757 HydrophobicContact CD1-CD1 3.75Å; L1751-L1757 HydrophobicContact CD1-CG 4.23Å; L1751-L1757 HydrophobicContact CD2-CD1 4.2Å; L1751-L1757 HydrophobicContact CG-CD1 3.91Å; L1753-L1757 HydrophobicContact CD2-CD1 3.51Å; L1757-L1759 HydrophobicContact CG-CD1 4.3Å
1758	Q	84.3	Confident	80.5	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.1	-178.8	-27.5	-177	13	0	0	110.7	E1626 R1631 I1715 K1716 V1717 C1752 T1754 K1756 I1760	E1626-Q1758 PolarHBondContact OE1-NE2 3.4Å; R1631-Q1758 VanDerWaalsContact NH2-NE2 3.14Å; I1715-Q1758 HydrophobicContact CG2-CB 4.08Å; K1716-Q1758 CarbonylContact O-C 3.55Å; K1716-Q1758 VanDerWaalsContact O-CA 3.23Å; K1716-Q1758 WeakPolarHBondContact O-CA 3.46Å; V1717-Q1758 HydrophobicContact CG1-CG 4.44Å; V1717-Q1758 HydrophobicContact CG2-CB 4.26Å; V1717-Q1758 HydrophobicContact CG2-CG 4.19Å; C1752-Q1758 HydrophobicContact CB-CB 4.01Å; C1752-Q1758 HydrophobicContact CB-CG 4.28Å; C1752-Q1758 PolarHBondContact N-O 3.43Å; C1752-Q1758 PolarHBondContact O-N 2.9Å; C1752-Q1758 VanDerWaalsContact O-N 3.13Å; T1754-Q1758 HydrophobicContact CG2-CG 4.28Å; T1754-Q1758 PolarHBondContact OG1-NE2 2.82Å; K1756-Q1758 WeakPolarHBondContact O-CG 2.99Å; K1756-Q1758 PolarHBondContact O-N 3.17Å; Q1758-I1760 HydrophobicContact CB-CD1 4.26Å
1759	L	85.5	Confident	80.9	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	132.5	175.1	-87.1	63.4	0	0	0	109.6	I1715 K1716 L1730 E1733 A1734 M1737 F1748 L1751 L1757	I1715-L1759 WeakPolarHBondContact CA-O 3.32Å; K1716-L1759 HydrophobicContact CB-CB 4.27Å; K1716-L1759 PolarHBondContact N-O 2.97Å; K1716-L1759 PolarHBondContact O-N 2.73Å; L1730-L1759 HydrophobicContact CD1-CD1 3.56Å; L1730-L1759 HydrophobicContact CD1-CD2 3.64Å; L1730-L1759 HydrophobicContact CD1-CG 4.19Å; L1730-L1759 HydrophobicContact CD2-CD1 3.8Å; L1730-L1759 HydrophobicContact CG-CD1 3.45Å; L1730-L1759 VanDerWaalsContact CG-CD1 3.45Å; L1730-L1759 HydrophobicContact CG-CD2 4.39Å; E1733-L1759 HydrophobicContact CB-CD2 4.34Å; E1733-L1759 HydrophobicContact CG-CD2 3.85Å; A1734-L1759 HydrophobicContact CB-CD1 4.3Å; A1734-L1759 HydrophobicContact CB-CD2 4.09Å; A1734-L1759 HydrophobicContact CB-CG 4.15Å; M1737-L1759 HydrophobicContact SD-CD2 4.22Å; F1748-L1759 HydrophobicContact CE2-CB 4.24Å; F1748-L1759 HydrophobicContact CE2-CD2 4.29Å; F1748-L1759 HydrophobicContact CE2-CG 3.91Å; L1751-L1759 HydrophobicContact CD1-CD1 3.44Å; L1751-L1759 VanDerWaalsContact CD1-CD1 3.44Å; L1751-L1759 HydrophobicContact CD1-CG 3.93Å; L1757-L1759 HydrophobicContact CG-CD1 4.3Å
1760	I	87.6	Confident	81.4	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.7	-173	-42.7	-59.9	0	0	0	108.2	I1624 L1629 V1713 A1714 I1715 L1749 A1750 C1752 Q1758	I1624-I1760 HydrophobicContact CD1-CG1 4.05Å; L1629-I1760 HydrophobicContact CD1-CD1 3.46Å; L1629-I1760 VanDerWaalsContact CD1-CD1 3.46Å; L1629-I1760 HydrophobicContact CD1-CG1 4.24Å; L1629-I1760 HydrophobicContact CD2-CD1 4.03Å; L1629-I1760 HydrophobicContact CD2-CG1 4.46Å; L1629-I1760 HydrophobicContact CD2-CG2 4.25Å; L1629-I1760 HydrophobicContact CG-CD1 4.4Å; V1713-I1760 HydrophobicContact CB-CG2 3.73Å; V1713-I1760 HydrophobicContact CG1-CG2 3.77Å; V1713-I1760 HydrophobicContact CG2-CG2 3.96Å; A1714-I1760 WeakPolarHBondContact O-CA 3.39Å; I1715-I1760 HydrophobicContact CB-CD1 4.26Å; I1715-I1760 HydrophobicContact CG1-CD1 4.08Å; I1715-I1760 HydrophobicContact CG2-CD1 3.8Å; L1749-I1760 WeakPolarHBondContact CB-O 3.15Å; L1749-I1760 PolarHBondContact N-O 3.09Å; A1750-I1760 HydrophobicContact CB-CB 4.06Å; A1750-I1760 HydrophobicContact CB-CG1 4.24Å; A1750-I1760 PolarHBondContact N-O 3.05Å; A1750-I1760 VanDerWaalsContact N-O 3.13Å; A1750-I1760 WeakPolarHBondContact O-CA 3.07Å; A1750-I1760 WeakPolarHBondContact O-CB 3.34Å; A1750-I1760 WeakPolarHBondContact O-CG1 3.45Å; A1750-I1760 PolarHBondContact O-N 3.44Å; C1752-I1760 HydrophobicContact CB-CD1 4.22Å; C1752-I1760 HydrophobicContact CB-CG1 4.32Å; Q1758-I1760 HydrophobicContact CB-CD1 4.26Å
1761	T	87.4	Confident	81.5	Confident	16 Å²	16	29 Å²	29	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	164.5	-178	53.8	0	0	0	0	109.7	V1713 A1714 M1737 V1746 F1748 Y1763	V1713-T1761 CarbonylContact C-O 3.11Å; V1713-T1761 WeakPolarHBondContact CA-O 3.39Å; V1713-T1761 VanDerWaalsContact CB-O 3.32Å; V1713-T1761 WeakPolarHBondContact CB-O 3.35Å; A1714-T1761 PolarHBondContact N-O 2.96Å; A1714-T1761 PolarHBondContact O-N 3.09Å; A1714-T1761 PolarHBondContact O-OG1 3.14Å; M1737-T1761 HydrophobicContact CE-CG2 3.66Å; V1746-T1761 HydrophobicContact CG1-CG2 4.34Å; F1748-T1761 HydrophobicContact CD2-CG2 4.41Å; T1761-Y1763 PolarHBondContact O-N 3.07Å
1762	Q	84.6	Confident	81.7	Confident	41 Å²	41	29.2 Å²	29.2	19%	0.192	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	135.3	171.2	50	169.6	98.6	0	0	110.6	V1746 R1747 L1749 L1764 Q1823	V1746-Q1762 HydrophobicContact CG1-CG 4.09Å; R1747-Q1762 HydrophobicContact CB-CG 4.41Å; R1747-Q1762 PolarHBondContact O-N 3.4Å; L1749-Q1762 HydrophobicContact CD1-CB 4.25Å; Q1762-L1764 HydrophobicContact CB-CD1 4.45Å; Q1762-L1764 HydrophobicContact CG-CD1 3.74Å; Q1762-L1764 VanDerWaalsContact NE2-CD1 3.32Å; Q1762-L1764 VanDerWaalsContact O-CD1 3.31Å; Q1762-L1764 WeakPolarHBondContact O-CD1 3.44Å; Q1762-Q1823 VanDerWaalsContact NE2-OE1 3.07Å
1763	Y	83.7	Confident	82.1	Confident	54 Å²	54	29.2 Å²	29.2	21%	0.212	16%	0.162	C	C	.	.			trans	-72.3	131.4	172.1	178.8	-118.3	0	0	0	110	I1635 C1645 P1712 T1761 P1765	I1635-Y1763 HydrophobicContact CD1-CD2 3.98Å; I1635-Y1763 HydrophobicContact CD1-CE2 3.75Å; I1635-Y1763 HydrophobicContact CG2-CE2 4.42Å; C1645-Y1763 HydrophobicContact CB-CD2 4.14Å; C1645-Y1763 HydrophobicContact CB-CE2 3.96Å; P1712-Y1763 PolarHBondContact O-N 3.36Å; T1761-Y1763 PolarHBondContact O-N 3.07Å; Y1763-P1765 HydrophobicContact CD1-CB 4.42Å; Y1763-P1765 HydrophobicContact CE1-CB 3.86Å
1764	L	82.9	Confident	82.5	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.159	C	C	.	.			trans	-110.7	112	173.2	-84.5	78.5	0	0	0	108.3	V1746 Q1762 L1766 G1767 L1815 V1816 Q1817 Q1823	V1746-L1764 HydrophobicContact CG1-CD1 4.35Å; V1746-L1764 HydrophobicContact CG2-CD1 4.25Å; V1746-L1764 HydrophobicContact CG2-CD2 4.3Å; Q1762-L1764 HydrophobicContact CB-CD1 4.45Å; Q1762-L1764 HydrophobicContact CG-CD1 3.74Å; Q1762-L1764 VanDerWaalsContact NE2-CD1 3.32Å; Q1762-L1764 VanDerWaalsContact O-CD1 3.31Å; Q1762-L1764 WeakPolarHBondContact O-CD1 3.44Å; L1764-L1766 PolarHBondContact O-N 3.2Å; L1764-L1766 VanDerWaalsContact O-N 3.09Å; L1764-G1767 PolarHBondContact O-N 3.37Å; L1764-L1815 HydrophobicContact CB-CB 4.1Å; L1764-L1815 HydrophobicContact CB-CD1 4.14Å; L1764-L1815 HydrophobicContact CD1-CD1 4.45Å; L1764-L1815 HydrophobicContact CD2-CB 3.59Å; L1764-L1815 HydrophobicContact CD2-CD1 4.49Å; L1764-L1815 HydrophobicContact CG-CB 4.38Å; L1764-V1816 WeakPolarHBondContact CB-O 3.31Å; L1764-Q1817 HydrophobicContact CD2-CB 3.9Å; L1764-Q1817 HydrophobicContact CG-CB 4.3Å; L1764-Q1817 HydrophobicContact CG-CG 4.46Å; L1764-Q1823 HydrophobicContact CD2-CB 3.99Å; L1764-Q1823 HydrophobicContact CD2-CG 4.12Å
1765	P	69.3	Low	82.6	Confident	33 Å²	33	30.8 Å²	30.8	21%	0.214	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-1.9	-162.7	30.1	-37.1	0	0	0	115	Y1763 N2035	Y1763-P1765 HydrophobicContact CD1-CB 4.42Å; Y1763-P1765 HydrophobicContact CE1-CB 3.86Å; P1765-N2035 HydrophobicContact CB-CB 4.41Å; P1765-N2035 HydrophobicContact CG-CB 4.15Å
1766	L	80.3	Confident	83.2	Confident	12 Å²	12	28.8 Å²	28.8	6%	0.063	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	0.1	-179.4	-79.6	172.4	0	0	0	114.5	L1764 F1772 V1816 N2039	L1764-L1766 PolarHBondContact O-N 3.2Å; L1764-L1766 VanDerWaalsContact O-N 3.09Å; L1766-F1772 HydrophobicContact CB-CD2 4.09Å; L1766-F1772 HydrophobicContact CD1-CD2 4.05Å; L1766-F1772 HydrophobicContact CD1-CE2 3.69Å; L1766-F1772 HydrophobicContact CD2-CD2 3.69Å; L1766-F1772 HydrophobicContact CD2-CE2 3.57Å; L1766-F1772 HydrophobicContact CG-CD2 4.17Å; L1766-F1772 HydrophobicContact CG-CE2 4.13Å; L1766-V1816 HydrophobicContact CB-CB 3.73Å; L1766-V1816 HydrophobicContact CB-CG1 4.3Å; L1766-V1816 WeakPolarHBondContact CB-O 3.37Å; L1766-V1816 HydrophobicContact CD1-CB 3.92Å; L1766-V1816 HydrophobicContact CD1-CG1 3.52Å; L1766-V1816 HydrophobicContact CG-CB 4.5Å; L1766-N2039 WeakPolarHBondContact CD1-OD1 3.39Å; L1766-N2039 HydrophobicContact CD2-CB 3.38Å; L1766-N2039 VanDerWaalsContact CD2-ND2 3.33Å; L1766-N2039 WeakPolarHBondContact CD2-ND2 3.39Å; L1766-N2039 HydrophobicContact CG-CB 4.35Å; L1766-N2039 WeakPolarHBondContact CG-ND2 3.5Å
1767	G	83.8	Confident	83.4	Confident	27 Å²	27	27.2 Å²	27.2	28%	0.278	14%	0.137	S	C	.	.			trans	66.8	-151.7	-177.3	0	0	0	0	0	112.9	L1764 L1815 V1816	L1764-G1767 PolarHBondContact O-N 3.37Å; G1767-L1815 WeakPolarHBondContact O-CA 3.31Å; G1767-V1816 PolarHBondContact O-N 2.72Å
1768	S	89.6	Confident	82.9	Confident	20 Å²	20	28.1 Å²	28.1	14%	0.14	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-79.1	152.7	-179.3	72.6	0	0	0	0	112.5	L1770 E1771 F1772 R1812 V1814	S1768-L1770 VanDerWaalsContact C-N 3.28Å; S1768-L1770 PolarHBondContact O-N 2.85Å; S1768-E1771 PolarHBondContact O-N 2.8Å; S1768-E1771 VanDerWaalsContact OG-CB 3.3Å; S1768-E1771 WeakPolarHBondContact OG-CB 3.26Å; S1768-E1771 PolarHBondContact OG-N 3.45Å; S1768-F1772 WeakPolarHBondContact O-CB 3.19Å; S1768-F1772 PolarHBondContact O-N 3.28Å; S1768-R1812 WeakPolarHBondContact CB-O 3.38Å; S1768-V1814 CarbonylContact C-O 2.86Å; S1768-V1814 WeakPolarHBondContact CA-O 3.14Å
1769	L	93.4	Very high	82.4	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-37.7	175.4	-179.2	61.2	0	0	0	110.7	E1771 F1772 I1773 W1788 I1792 A1811 V1814 V1816 V1822 M1878	L1769-E1771 VanDerWaalsContact C-N 3.3Å; L1769-E1771 PolarHBondContact O-N 3.43Å; L1769-F1772 PolarHBondContact O-N 3.12Å; L1769-I1773 HydrophobicContact CD1-CG2 3.78Å; L1769-I1773 HydrophobicContact CG-CG2 4.21Å; L1769-I1773 VanDerWaalsContact O-CG1 3.31Å; L1769-I1773 WeakPolarHBondContact O-CG1 3.32Å; L1769-I1773 WeakPolarHBondContact O-CG2 3.41Å; L1769-I1773 PolarHBondContact O-N 2.8Å; L1769-W1788 HydrophobicContact CD1-CD2 4.06Å; L1769-W1788 HydrophobicContact CD1-CE3 3.7Å; L1769-W1788 HydrophobicContact CD1-CH2 4.36Å; L1769-W1788 HydrophobicContact CD1-CZ3 3.87Å; L1769-I1792 HydrophobicContact CD2-CD1 4.11Å; L1769-A1811 WeakPolarHBondContact CB-O 3.11Å; L1769-A1811 PolarHBondContact N-O 3.37Å; L1769-V1814 HydrophobicContact CB-CB 4.08Å; L1769-V1814 HydrophobicContact CB-CG1 4.12Å; L1769-V1814 WeakPolarHBondContact CB-O 3.33Å; L1769-V1814 HydrophobicContact CD2-CB 4.33Å; L1769-V1814 HydrophobicContact CD2-CG1 4.02Å; L1769-V1814 PolarHBondContact N-O 3.37Å; L1769-V1816 HydrophobicContact CB-CG2 3.96Å; L1769-V1816 HydrophobicContact CD1-CG2 3.8Å; L1769-V1822 HydrophobicContact CD1-CG1 4.4Å; L1769-M1878 HydrophobicContact CD2-CG 3.93Å; L1769-M1878 HydrophobicContact CD2-SD 3.94Å
1770	L	92.4	Very high	82.1	Confident	34 Å²	34	30.7 Å²	30.7	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-58.2	-40.2	174.2	-179.7	61.8	0	0	0	112.8	S1768 I1773 K1774 A1811 R1812	S1768-L1770 VanDerWaalsContact C-N 3.28Å; S1768-L1770 PolarHBondContact O-N 2.85Å; L1770-I1773 WeakPolarHBondContact O-CG1 3.34Å; L1770-K1774 VanDerWaalsContact O-CG 3.31Å; L1770-K1774 WeakPolarHBondContact O-CG 3.07Å; L1770-K1774 PolarHBondContact O-N 2.9Å; L1770-A1811 HydrophobicContact CB-CB 3.92Å; L1770-A1811 HydrophobicContact CD1-CB 4.42Å; L1770-A1811 PolarHBondContact N-O 3.24Å; L1770-R1812 HydrophobicContact CB-CB 4.33Å; L1770-R1812 HydrophobicContact CD2-CB 4Å
1771	E	85.8	Confident	81.8	Confident	88 Å²	88	35.1 Å²	35.1	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-77.5	-41.7	178	-176.1	168.5	-151	0	0	111.5	S1768 L1769 I1773 K1774 I1775	S1768-E1771 PolarHBondContact O-N 2.8Å; S1768-E1771 VanDerWaalsContact OG-CB 3.3Å; S1768-E1771 WeakPolarHBondContact OG-CB 3.26Å; S1768-E1771 PolarHBondContact OG-N 3.45Å; L1769-E1771 VanDerWaalsContact C-N 3.3Å; L1769-E1771 PolarHBondContact O-N 3.43Å; E1771-I1773 PolarHBondContact O-N 3.18Å; E1771-K1774 PolarHBondContact O-N 2.86Å; E1771-I1775 HydrophobicContact CG-CD1 3.68Å; E1771-I1775 HydrophobicContact CG-CG1 4.43Å; E1771-I1775 WeakPolarHBondContact O-CB 3.32Å; E1771-I1775 WeakPolarHBondContact O-CG1 3.41Å; E1771-I1775 PolarHBondContact O-N 3.3Å
1772	F	88.6	Confident	81.7	Confident	9 Å²	9	35 Å²	35	4%	0.039	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-49.7	173	-174.4	-79.4	0	0	0	111.3	L1766 S1768 L1769 K1774 I1775 R1776 I1780 W1788 V1816	L1766-F1772 HydrophobicContact CB-CD2 4.09Å; L1766-F1772 HydrophobicContact CD1-CD2 4.05Å; L1766-F1772 HydrophobicContact CD1-CE2 3.69Å; L1766-F1772 HydrophobicContact CD2-CD2 3.69Å; L1766-F1772 HydrophobicContact CD2-CE2 3.57Å; L1766-F1772 HydrophobicContact CG-CD2 4.17Å; L1766-F1772 HydrophobicContact CG-CE2 4.13Å; S1768-F1772 WeakPolarHBondContact O-CB 3.19Å; S1768-F1772 PolarHBondContact O-N 3.28Å; L1769-F1772 PolarHBondContact O-N 3.12Å; F1772-K1774 PolarHBondContact O-N 3.3Å; F1772-I1775 PolarHBondContact O-N 3.2Å; F1772-R1776 HydrophobicContact CD1-CB 4.49Å; F1772-R1776 VanDerWaalsContact CD2-CD 3.41Å; F1772-R1776 HydrophobicContact CE1-CB 4.27Å; F1772-R1776 WeakPolarHBondContact O-CB 3.46Å; F1772-R1776 WeakPolarHBondContact O-CD 3.26Å; F1772-R1776 PolarHBondContact O-N 3.43Å; F1772-I1780 HydrophobicContact CE1-CG1 4.49Å; F1772-W1788 HydrophobicContact CD1-CH2 4.05Å; F1772-W1788 AromaticContact CE1-CH2 3.7Å; F1772-W1788 HydrophobicContact CE1-CH2 3.7Å; F1772-W1788 HydrophobicContact CE1-CZ2 4.01Å; F1772-V1816 HydrophobicContact CB-CG2 3.85Å; F1772-V1816 HydrophobicContact CD2-CB 4.31Å; F1772-V1816 HydrophobicContact CD2-CG1 4.26Å; F1772-V1816 HydrophobicContact CD2-CG2 4.18Å; F1772-V1816 HydrophobicContact CE2-CG1 4.35Å; F1772-V1816 HydrophobicContact CG-CG2 4Å
1773	I	89.8	Confident	81.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.7	-40.2	-179.8	68.8	-174.1	0	0	0	111.6	L1769 L1770 E1771 I1775 W1777 I1780 W1788 E1877	L1769-I1773 HydrophobicContact CD1-CG2 3.78Å; L1769-I1773 HydrophobicContact CG-CG2 4.21Å; L1769-I1773 VanDerWaalsContact O-CG1 3.31Å; L1769-I1773 WeakPolarHBondContact O-CG1 3.32Å; L1769-I1773 WeakPolarHBondContact O-CG2 3.41Å; L1769-I1773 PolarHBondContact O-N 2.8Å; L1770-I1773 WeakPolarHBondContact O-CG1 3.34Å; E1771-I1773 PolarHBondContact O-N 3.18Å; I1773-I1775 PolarHBondContact O-N 3.37Å; I1773-W1777 WeakPolarHBondContact O-CA 3.39Å; I1773-W1777 WeakPolarHBondContact O-CB 3.29Å; I1773-W1777 PolarHBondContact O-N 2.79Å; I1773-I1780 HydrophobicContact CB-CD1 3.77Å; I1773-I1780 HydrophobicContact CG2-CD1 3.5Å; I1773-W1788 HydrophobicContact CG2-CZ3 4.06Å; I1773-E1877 WeakPolarHBondContact CD1-O 3.1Å
1774	K	84.5	Confident	82	Confident	107 Å²	107	34.5 Å²	34.5	47%	0.465	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-41.1	175.9	-76.4	-177.2	179.9	-163.3	0	113.5	L1770 E1771 F1772 F1881 G1882	L1770-K1774 VanDerWaalsContact O-CG 3.31Å; L1770-K1774 WeakPolarHBondContact O-CG 3.07Å; L1770-K1774 PolarHBondContact O-N 2.9Å; E1771-K1774 PolarHBondContact O-N 2.86Å; F1772-K1774 PolarHBondContact O-N 3.3Å; K1774-F1881 WeakPolarHBondContact CG-O 3.33Å; K1774-G1882 WeakPolarHBondContact CE-O 3.04Å; K1774-G1882 PolarHBondContact NZ-O 3.14Å
1775	I	74.4	Confident	82.4	Confident	56 Å²	56	34.3 Å²	34.3	29%	0.287	18%	0.175	S	C	.	.	H	α-helix	trans	-80.5	-29.2	-176.4	-61.9	175	0	0	0	111.4	E1771 F1772 I1773 R2041	E1771-I1775 HydrophobicContact CG-CD1 3.68Å; E1771-I1775 HydrophobicContact CG-CG1 4.43Å; E1771-I1775 WeakPolarHBondContact O-CB 3.32Å; E1771-I1775 WeakPolarHBondContact O-CG1 3.41Å; E1771-I1775 PolarHBondContact O-N 3.3Å; F1772-I1775 PolarHBondContact O-N 3.2Å; I1773-I1775 PolarHBondContact O-N 3.37Å; I1775-R2041 VanDerWaalsContact O-CZ 3.23Å; I1775-R2041 PolarHBondContact O-NE 2.88Å; I1775-R2041 PolarHBondContact O-NH2 3.05Å
1776	R	74.2	Confident	83.4	Confident	30 Å²	30	32.7 Å²	32.7	11%	0.113	17%	0.165	C	C	.	.	H	α-helix	trans	-127.7	20.3	-166.9	-55	131.8	175.8	-82.9	-5.7	114.9	F1772 D1778 F1779 I1780 N2039 S2040	F1772-R1776 HydrophobicContact CD1-CB 4.49Å; F1772-R1776 VanDerWaalsContact CD2-CD 3.41Å; F1772-R1776 HydrophobicContact CE1-CB 4.27Å; F1772-R1776 WeakPolarHBondContact O-CB 3.46Å; F1772-R1776 WeakPolarHBondContact O-CD 3.26Å; F1772-R1776 PolarHBondContact O-N 3.43Å; R1776-D1778 VanDerWaalsContact CA-OD1 3.25Å; R1776-D1778 WeakPolarHBondContact CA-OD1 3.33Å; R1776-D1778 PolarHBondContact O-N 3.02Å; R1776-D1778 VanDerWaalsContact O-N 3.1Å; R1776-F1779 PolarHBondContact O-N 3.11Å; R1776-I1780 WeakPolarHBondContact O-CG1 3.44Å; R1776-I1780 PolarHBondContact O-N 2.82Å; R1776-N2039 VanDerWaalsContact CZ-O 3.31Å; R1776-N2039 VanDerWaalsContact NH1-CA 3.3Å; R1776-N2039 PolarHBondContact NH1-O 3.45Å; R1776-N2039 PolarHBondContact NH2-O 2.65Å; R1776-S2040 WeakPolarHBondContact CG-O 3.32Å; R1776-S2040 PolarHBondContact NE-O 3.11Å; R1776-S2040 PolarHBondContact NH1-O 3.31Å; R1776-S2040 PolarHBondContact NH1-OG 2.9Å; R1776-S2040 PolarHBondContact NH2-O 3.13Å; R1776-S2040 VanDerWaalsContact NH2-O 3.1Å
1777	W	73.2	Confident	83.9	Confident	23 Å²	23	34.3 Å²	34.3	9%	0.087	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-49.8	-32.7	-179	66.1	-81.6	0	0	0	114.2	I1773 I1780 F1881 L1956 R1957 N1960 F1961	I1773-W1777 WeakPolarHBondContact O-CA 3.39Å; I1773-W1777 WeakPolarHBondContact O-CB 3.29Å; I1773-W1777 PolarHBondContact O-N 2.79Å; W1777-I1780 PolarHBondContact O-N 3.44Å; W1777-F1881 HydrophobicContact CB-CB 3.98Å; W1777-F1881 HydrophobicContact CB-CD1 3.81Å; W1777-F1881 HydrophobicContact CB-CE1 4.45Å; W1777-F1881 HydrophobicContact CB-CG 3.88Å; W1777-L1956 WeakPolarHBondContact CH2-O 3.07Å; W1777-L1956 WeakPolarHBondContact CZ3-O 3.29Å; W1777-R1957 HydrophobicContact CZ3-CB 4.49Å; W1777-R1957 HydrophobicContact CZ3-CG 4.31Å; W1777-N1960 HydrophobicContact CH2-CB 3.99Å; W1777-N1960 HydrophobicContact CZ2-CB 3.91Å; W1777-F1961 HydrophobicContact CH2-CD2 4.27Å; W1777-F1961 HydrophobicContact CH2-CE2 4.06Å; W1777-F1961 HydrophobicContact CZ2-CD2 4.08Å; W1777-F1961 AromaticContact CZ2-CE2 3.78Å; W1777-F1961 HydrophobicContact CZ2-CE2 3.78Å
1778	D	66	Low	84.4	Confident	32 Å²	32	33 Å²	33	17%	0.171	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-61.5	-38.2	173.2	56.7	-27.3	0	0	0	113.9	R1776 R1957	R1776-D1778 VanDerWaalsContact CA-OD1 3.25Å; R1776-D1778 WeakPolarHBondContact CA-OD1 3.33Å; R1776-D1778 PolarHBondContact O-N 3.02Å; R1776-D1778 VanDerWaalsContact O-N 3.1Å; D1778-R1957 VanDerWaalsContact O-CZ 3.29Å; D1778-R1957 PolarHBondContact O-NH1 3.11Å; D1778-R1957 PolarHBondContact O-NH2 3.07Å
1779	F	72.8	Confident	84.7	Confident	55 Å²	55	32.1 Å²	32.1	24%	0.241	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-88.3	-1.1	177.6	-67.5	-76.9	0	0	0	114.3	R1776 K1819 S2040 N2043 L2044	R1776-F1779 PolarHBondContact O-N 3.11Å; F1779-K1819 PolarHBondContact O-NZ 3.42Å; F1779-S2040 VanDerWaalsContact CD2-CB 3.42Å; F1779-N2043 HydrophobicContact CE1-CB 3.75Å; F1779-N2043 HydrophobicContact CZ-CB 3.73Å; F1779-L2044 HydrophobicContact CE2-CD1 4.17Å; F1779-L2044 HydrophobicContact CE2-CG 4.34Å; F1779-L2044 HydrophobicContact CZ-CD1 4.45Å; F1779-L2044 HydrophobicContact CZ-CG 4.14Å
1780	I	79.6	Confident	84.6	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.01	17%	0.165	C	C	.	.			trans	-78	126.8	178.3	-65.1	-177.9	0	0	0	110.1	F1772 I1773 R1776 W1777 L1785 W1788 F1881 I1952 R1957	F1772-I1780 HydrophobicContact CE1-CG1 4.49Å; I1773-I1780 HydrophobicContact CB-CD1 3.77Å; I1773-I1780 HydrophobicContact CG2-CD1 3.5Å; R1776-I1780 WeakPolarHBondContact O-CG1 3.44Å; R1776-I1780 PolarHBondContact O-N 2.82Å; W1777-I1780 PolarHBondContact O-N 3.44Å; I1780-L1785 HydrophobicContact CG2-CD1 4.08Å; I1780-L1785 HydrophobicContact CG2-CD2 3.95Å; I1780-L1785 HydrophobicContact CG2-CG 3.68Å; I1780-W1788 HydrophobicContact CD1-CH2 3.97Å; I1780-W1788 HydrophobicContact CD1-CZ3 3.93Å; I1780-W1788 HydrophobicContact CG1-CH2 3.98Å; I1780-W1788 HydrophobicContact CG1-CZ3 4.31Å; I1780-W1788 HydrophobicContact CG2-CH2 4.41Å; I1780-W1788 HydrophobicContact CG2-CZ3 4.23Å; I1780-F1881 HydrophobicContact CB-CE1 4.22Å; I1780-F1881 HydrophobicContact CD1-CD1 4.24Å; I1780-F1881 HydrophobicContact CD1-CE1 4.47Å; I1780-F1881 HydrophobicContact CG2-CE1 4.15Å; I1780-I1952 HydrophobicContact CG2-CD1 4.5Å; I1780-I1952 WeakPolarHBondContact O-CD1 3.31Å; I1780-R1957 PolarHBondContact O-NH2 2.71Å
1781	E	81.9	Confident	84.7	Confident	93 Å²	93	34.1 Å²	34.1	44%	0.435	16%	0.161	S	C	.	.			trans	-100.3	151	170.4	-72.3	168.2	-120.3	0	0	109.9	N1783 S1784 L1785 K1819	E1781-N1783 PolarHBondContact O-N 3.16Å; E1781-S1784 WeakPolarHBondContact O-CB 3.07Å; E1781-S1784 PolarHBondContact O-N 2.85Å; E1781-L1785 PolarHBondContact O-N 2.73Å; E1781-K1819 IonicContact OE1-NZ 3.03Å; E1781-K1819 PolarHBondContact OE1-NZ 2.88Å
1782	V	86	Confident	85.2	Confident	14 Å²	14	30 Å²	30	9%	0.085	14%	0.142	C	C	.	.	H	α-helix	trans	-53.5	-37.2	173	176.9	0	0	0	0	112	S1784 L1785 F1786 P1946 L1950 I1952	V1782-S1784 VanDerWaalsContact C-N 3.33Å; V1782-S1784 PolarHBondContact O-N 2.89Å; V1782-L1785 PolarHBondContact O-N 3.48Å; V1782-F1786 HydrophobicContact CG1-CD2 3.92Å; V1782-F1786 HydrophobicContact CG1-CE2 4.06Å; V1782-F1786 PolarHBondContact O-N 3.11Å; V1782-F1786 VanDerWaalsContact O-N 3.08Å; V1782-P1946 HydrophobicContact CG1-CB 3.94Å; V1782-L1950 HydrophobicContact CG1-CB 3.5Å; V1782-L1950 VanDerWaalsContact CG1-CB 3.5Å; V1782-L1950 HydrophobicContact CG1-CD1 4.34Å; V1782-L1950 HydrophobicContact CG2-CB 4.42Å; V1782-I1952 HydrophobicContact CG2-CD1 4.09Å; V1782-I1952 HydrophobicContact CG2-CG1 3.99Å
1783	N	86	Confident	85.6	Confident	78 Å²	78	29.6 Å²	29.6	42%	0.417	14%	0.14	S	C	.	.	H	α-helix	trans	-61.8	-38.7	176.5	-64.7	-38.6	0	0	0	112.7	E1781 F1786 Q1787 P1946	E1781-N1783 PolarHBondContact O-N 3.16Å; N1783-F1786 PolarHBondContact O-N 2.72Å; N1783-Q1787 WeakPolarHBondContact O-CB 3.1Å; N1783-Q1787 PolarHBondContact O-N 3.39Å; N1783-P1946 WeakPolarHBondContact OD1-CG 3.31Å
1784	S	87.9	Confident	85.9	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-43.5	177.4	-58.3	0	0	0	0	111	E1781 V1782 F1786 Q1787 W1788 K1819	E1781-S1784 WeakPolarHBondContact O-CB 3.07Å; E1781-S1784 PolarHBondContact O-N 2.85Å; V1782-S1784 VanDerWaalsContact C-N 3.33Å; V1782-S1784 PolarHBondContact O-N 2.89Å; S1784-F1786 PolarHBondContact O-N 3.3Å; S1784-Q1787 PolarHBondContact O-N 3.19Å; S1784-W1788 PolarHBondContact O-N 3.45Å; S1784-K1819 VanDerWaalsContact OG-CE 3.27Å; S1784-K1819 WeakPolarHBondContact OG-CE 3.32Å
1785	L	90.9	Very high	86.3	Confident	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-55.5	-51.2	173.7	-68.5	171.3	0	0	0	111.1	I1780 E1781 V1782 Q1787 W1788 S1789 M1878 L1950 I1952	I1780-L1785 HydrophobicContact CG2-CD1 4.08Å; I1780-L1785 HydrophobicContact CG2-CD2 3.95Å; I1780-L1785 HydrophobicContact CG2-CG 3.68Å; E1781-L1785 PolarHBondContact O-N 2.73Å; V1782-L1785 PolarHBondContact O-N 3.48Å; L1785-Q1787 VanDerWaalsContact C-N 3.34Å; L1785-Q1787 PolarHBondContact O-N 2.75Å; L1785-W1788 HydrophobicContact CD2-CE3 4.17Å; L1785-W1788 HydrophobicContact CD2-CZ3 4.1Å; L1785-W1788 PolarHBondContact O-N 2.85Å; L1785-S1789 WeakPolarHBondContact O-CB 3.44Å; L1785-S1789 PolarHBondContact O-N 3.09Å; L1785-S1789 PolarHBondContact O-OG 3.23Å; L1785-M1878 HydrophobicContact CD2-CB 4.17Å; L1785-M1878 HydrophobicContact CD2-CE 4.42Å; L1785-M1878 WeakPolarHBondContact O-CE 2.99Å; L1785-L1950 HydrophobicContact CB-CD1 3.87Å; L1785-L1950 HydrophobicContact CD1-CD1 4.23Å; L1785-I1952 HydrophobicContact CD1-CD1 4.43Å
1786	F	90.5	Very high	87.4	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58	-42.4	175.9	-93.9	-70.4	0	0	0	113.5	V1782 N1783 S1784 S1789 E1790 F1914 L1939 M1942 K1943 P1946 Y1949 L1950	V1782-F1786 HydrophobicContact CG1-CD2 3.92Å; V1782-F1786 HydrophobicContact CG1-CE2 4.06Å; V1782-F1786 PolarHBondContact O-N 3.11Å; V1782-F1786 VanDerWaalsContact O-N 3.08Å; N1783-F1786 PolarHBondContact O-N 2.72Å; S1784-F1786 PolarHBondContact O-N 3.3Å; F1786-S1789 PolarHBondContact O-N 2.86Å; F1786-E1790 WeakPolarHBondContact O-CB 3.22Å; F1786-E1790 PolarHBondContact O-N 2.82Å; F1786-F1914 HydrophobicContact CD1-CE2 4.39Å; F1786-F1914 AromaticContact CE1-CD2 3.98Å; F1786-F1914 HydrophobicContact CE1-CD2 3.98Å; F1786-F1914 AromaticContact CE1-CE2 3.55Å; F1786-F1914 HydrophobicContact CE1-CE2 3.55Å; F1786-F1914 AromaticContact CZ-CD2 3.74Å; F1786-F1914 HydrophobicContact CZ-CD2 3.74Å; F1786-F1914 AromaticContact CZ-CE2 3.64Å; F1786-F1914 HydrophobicContact CZ-CE2 3.64Å; F1786-L1939 HydrophobicContact CD1-CD2 4.25Å; F1786-L1939 HydrophobicContact CE1-CD2 4.04Å; F1786-M1942 HydrophobicContact CD1-CB 4.49Å; F1786-M1942 HydrophobicContact CE1-CB 3.47Å; F1786-M1942 VanDerWaalsContact CE1-CB 3.47Å; F1786-M1942 HydrophobicContact CZ-CB 3.87Å; F1786-K1943 HydrophobicContact CB-CB 4.26Å; F1786-K1943 HydrophobicContact CB-CD 4.21Å; F1786-K1943 HydrophobicContact CB-CG 4.1Å; F1786-K1943 HydrophobicContact CD1-CB 3.94Å; F1786-K1943 HydrophobicContact CG-CB 4.19Å; F1786-K1943 HydrophobicContact CG-CG 4.49Å; F1786-P1946 HydrophobicContact CD2-CB 3.78Å; F1786-P1946 HydrophobicContact CE2-CB 4.01Å; F1786-Y1949 HydrophobicContact CZ-CG 4.46Å; F1786-L1950 HydrophobicContact CD2-CD1 3.88Å; F1786-L1950 HydrophobicContact CD2-CG 4.47Å; F1786-L1950 HydrophobicContact CE2-CB 3.99Å; F1786-L1950 HydrophobicContact CE2-CD1 3.62Å; F1786-L1950 HydrophobicContact CE2-CG 3.74Å; F1786-L1950 HydrophobicContact CZ-CD1 4.16Å; F1786-L1950 HydrophobicContact CZ-CG 4.13Å
1787	Q	90.7	Very high	88.3	Confident	45 Å²	45	25.1 Å²	25.1	21%	0.21	13%	0.127	C	C	.	.	H	α-helix	trans	-68.2	-39.7	-179.5	-173.8	153	-58.1	0	0	112.8	N1783 S1784 L1785 Q1791 D1820	N1783-Q1787 WeakPolarHBondContact O-CB 3.1Å; N1783-Q1787 PolarHBondContact O-N 3.39Å; S1784-Q1787 PolarHBondContact O-N 3.19Å; L1785-Q1787 VanDerWaalsContact C-N 3.34Å; L1785-Q1787 PolarHBondContact O-N 2.75Å; Q1787-Q1791 WeakPolarHBondContact O-CB 3.35Å; Q1787-Q1791 VanDerWaalsContact O-CG 3.22Å; Q1787-Q1791 WeakPolarHBondContact O-CG 3.34Å; Q1787-Q1791 PolarHBondContact O-N 3.18Å; Q1787-D1820 PolarHBondContact NE2-O 3.13Å; Q1787-D1820 PolarHBondContact NE2-OD1 2.85Å; Q1787-D1820 VanDerWaalsContact NE2-OD1 3.12Å
1788	W	94.8	Very high	89.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-40.6	174.3	-55.7	-26	0	0	0	111.2	L1769 F1772 I1773 I1780 S1784 L1785 E1790 Q1791 I1792 K1819 V1822 M1878	L1769-W1788 HydrophobicContact CD1-CD2 4.06Å; L1769-W1788 HydrophobicContact CD1-CE3 3.7Å; L1769-W1788 HydrophobicContact CD1-CH2 4.36Å; L1769-W1788 HydrophobicContact CD1-CZ3 3.87Å; F1772-W1788 HydrophobicContact CD1-CH2 4.05Å; F1772-W1788 AromaticContact CE1-CH2 3.7Å; F1772-W1788 HydrophobicContact CE1-CH2 3.7Å; F1772-W1788 HydrophobicContact CE1-CZ2 4.01Å; I1773-W1788 HydrophobicContact CG2-CZ3 4.06Å; I1780-W1788 HydrophobicContact CD1-CH2 3.97Å; I1780-W1788 HydrophobicContact CD1-CZ3 3.93Å; I1780-W1788 HydrophobicContact CG1-CH2 3.98Å; I1780-W1788 HydrophobicContact CG1-CZ3 4.31Å; I1780-W1788 HydrophobicContact CG2-CH2 4.41Å; I1780-W1788 HydrophobicContact CG2-CZ3 4.23Å; S1784-W1788 PolarHBondContact O-N 3.45Å; L1785-W1788 HydrophobicContact CD2-CE3 4.17Å; L1785-W1788 HydrophobicContact CD2-CZ3 4.1Å; L1785-W1788 PolarHBondContact O-N 2.85Å; W1788-E1790 PolarHBondContact O-N 3.05Å; W1788-Q1791 PolarHBondContact O-N 2.93Å; W1788-I1792 WeakPolarHBondContact O-CB 3.18Å; W1788-I1792 WeakPolarHBondContact O-CD1 3.36Å; W1788-I1792 WeakPolarHBondContact O-CG1 3.43Å; W1788-I1792 PolarHBondContact O-N 3.08Å; W1788-K1819 PolarHBondContact NE1-O 2.79Å; W1788-V1822 HydrophobicContact CB-CG1 4.26Å; W1788-V1822 HydrophobicContact CB-CG2 3.94Å; W1788-V1822 HydrophobicContact CD2-CG1 4.36Å; W1788-V1822 HydrophobicContact CG-CG1 3.78Å; W1788-V1822 HydrophobicContact CG-CG2 4.23Å; W1788-M1878 HydrophobicContact CB-CE 3.75Å; W1788-M1878 HydrophobicContact CE3-CE 4.36Å
1789	S	94.6	Very high	90.4	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-57.3	-48.6	174.1	-60.2	0	0	0	0	111.6	L1785 F1786 A1793 Y1871 L1875 M1878	L1785-S1789 WeakPolarHBondContact O-CB 3.44Å; L1785-S1789 PolarHBondContact O-N 3.09Å; L1785-S1789 PolarHBondContact O-OG 3.23Å; F1786-S1789 PolarHBondContact O-N 2.86Å; S1789-A1793 WeakPolarHBondContact O-CB 3.44Å; S1789-A1793 PolarHBondContact O-N 2.76Å; S1789-Y1871 PolarHBondContact O-OH 3.41Å; S1789-L1875 WeakPolarHBondContact OG-CD2 3.24Å; S1789-M1878 WeakPolarHBondContact OG-CE 3.5Å
1790	E	92.7	Very high	91.3	Very high	56 Å²	56	23.5 Å²	23.5	26%	0.262	12%	0.124	S	C	.	.	H	α-helix	trans	-60.1	-45.5	175.8	-174.9	-165.8	155	0	0	112.1	F1786 W1788 A1793 S1794 K1943	F1786-E1790 WeakPolarHBondContact O-CB 3.22Å; F1786-E1790 PolarHBondContact O-N 2.82Å; W1788-E1790 PolarHBondContact O-N 3.05Å; E1790-A1793 PolarHBondContact O-N 3.02Å; E1790-S1794 WeakPolarHBondContact O-CB 3.22Å; E1790-S1794 PolarHBondContact O-N 3.18Å; E1790-K1943 WeakPolarHBondContact OE2-CD 3.41Å; E1790-K1943 WeakPolarHBondContact OE2-CE 3.12Å; E1790-K1943 IonicContact OE2-NZ 3.29Å; E1790-K1943 PolarHBondContact OE2-NZ 3.26Å
1791	Q	94.4	Very high	91.6	Very high	21 Å²	21	27.7 Å²	27.7	10%	0.098	15%	0.154	C	C	.	.	H	α-helix	trans	-67.7	-41.7	-179.2	-76.2	171.8	-0.4	0	0	112.9	C1744 Q1787 W1788 S1794 G1795 D1820 V1822	C1744-Q1791 HydrophobicContact CB-CB 4.47Å; C1744-Q1791 VanDerWaalsContact CB-O 3.24Å; C1744-Q1791 WeakPolarHBondContact CB-O 3.37Å; Q1787-Q1791 WeakPolarHBondContact O-CB 3.35Å; Q1787-Q1791 VanDerWaalsContact O-CG 3.22Å; Q1787-Q1791 WeakPolarHBondContact O-CG 3.34Å; Q1787-Q1791 PolarHBondContact O-N 3.18Å; W1788-Q1791 PolarHBondContact O-N 2.93Å; Q1791-S1794 PolarHBondContact O-N 3.44Å; Q1791-G1795 PolarHBondContact O-N 3.21Å; Q1791-D1820 PolarHBondContact NE2-O 2.54Å; Q1791-D1820 PolarHBondContact OE1-O 3.31Å; Q1791-V1822 HydrophobicContact CB-CG2 3.84Å
1792	I	96.8	Very high	91.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-44.3	174.3	-62.6	159.9	0	0	0	109.4	L1769 W1788 S1794 G1795 M1796 L1809 V1814 V1822 I1824 Y1871 T1874 M1878	L1769-I1792 HydrophobicContact CD2-CD1 4.11Å; W1788-I1792 WeakPolarHBondContact O-CB 3.18Å; W1788-I1792 WeakPolarHBondContact O-CD1 3.36Å; W1788-I1792 WeakPolarHBondContact O-CG1 3.43Å; W1788-I1792 PolarHBondContact O-N 3.08Å; I1792-S1794 VanDerWaalsContact C-N 3.33Å; I1792-S1794 PolarHBondContact O-N 2.88Å; I1792-G1795 PolarHBondContact O-N 3.02Å; I1792-M1796 WeakPolarHBondContact O-CG 3.08Å; I1792-M1796 PolarHBondContact O-N 2.83Å; I1792-L1809 HydrophobicContact CG2-CD1 4.16Å; I1792-L1809 HydrophobicContact CG2-CD2 4.47Å; I1792-V1814 HydrophobicContact CD1-CG1 4.11Å; I1792-V1814 HydrophobicContact CD1-CG2 3.98Å; I1792-V1814 HydrophobicContact CG1-CG1 4.07Å; I1792-V1814 HydrophobicContact CG1-CG2 4.03Å; I1792-V1822 HydrophobicContact CD1-CG2 4.48Å; I1792-V1822 HydrophobicContact CG1-CG2 3.99Å; I1792-I1824 HydrophobicContact CG2-CD1 4.11Å; I1792-I1824 HydrophobicContact CG2-CG1 4.38Å; I1792-Y1871 HydrophobicContact CB-CE2 3.95Å; I1792-Y1871 HydrophobicContact CG2-CD2 3.7Å; I1792-Y1871 HydrophobicContact CG2-CE2 3.63Å; I1792-T1874 HydrophobicContact CD1-CG2 4.41Å; I1792-M1878 HydrophobicContact CD1-SD 3.82Å
1793	A	96.5	Very high	91.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-43	174.2	0	0	0	0	0	111.8	S1789 E1790 G1795 M1796 I1797 Y1871 C1936	S1789-A1793 WeakPolarHBondContact O-CB 3.44Å; S1789-A1793 PolarHBondContact O-N 2.76Å; E1790-A1793 PolarHBondContact O-N 3.02Å; A1793-G1795 PolarHBondContact O-N 3.31Å; A1793-M1796 CarbonylContact O-C 3.16Å; A1793-M1796 PolarHBondContact O-N 3.43Å; A1793-I1797 WeakPolarHBondContact O-CG1 3.34Å; A1793-I1797 PolarHBondContact O-N 3.3Å; A1793-Y1871 HydrophobicContact CB-CE2 4.3Å; A1793-C1936 HydrophobicContact CB-CB 3.9Å
1794	S	95.3	Very high	91.4	Very high	43 Å²	43	26.5 Å²	26.5	30%	0.301	15%	0.145	S	C	.	.	H	α-helix	trans	-62.3	-40.8	176.1	-169.2	0	0	0	0	112.7	H1742 E1790 Q1791 I1792 M1796 I1797 Y1798	H1742-S1794 PolarHBondContact CE1-O 2.97Å; E1790-S1794 WeakPolarHBondContact O-CB 3.22Å; E1790-S1794 PolarHBondContact O-N 3.18Å; Q1791-S1794 PolarHBondContact O-N 3.44Å; I1792-S1794 VanDerWaalsContact C-N 3.33Å; I1792-S1794 PolarHBondContact O-N 2.88Å; S1794-M1796 VanDerWaalsContact C-N 3.35Å; S1794-I1797 PolarHBondContact O-N 2.92Å; S1794-Y1798 PolarHBondContact O-N 2.95Å; S1794-Y1798 VanDerWaalsContact O-N 3.13Å
1795	G	93.7	Very high	91.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-42.7	172.3	0	0	0	0	0	112.2	Q1791 I1792 A1793 Y1798 L1799	Q1791-G1795 PolarHBondContact O-N 3.21Å; I1792-G1795 PolarHBondContact O-N 3.02Å; A1793-G1795 PolarHBondContact O-N 3.31Å; G1795-Y1798 WeakPolarHBondContact O-CB 3.14Å; G1795-Y1798 PolarHBondContact O-N 3.28Å; G1795-L1799 WeakPolarHBondContact O-CG 3.25Å; G1795-L1799 PolarHBondContact O-N 2.97Å
1796	M	95.9	Very high	91.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-72.3	-29.7	177.7	-67.5	-51.8	-64.3	0	0	113.9	I1792 A1793 S1794 Y1798 L1799 S1800 H1806 L1809 I1824 D1867 F1932	I1792-M1796 WeakPolarHBondContact O-CG 3.08Å; I1792-M1796 PolarHBondContact O-N 2.83Å; A1793-M1796 CarbonylContact O-C 3.16Å; A1793-M1796 PolarHBondContact O-N 3.43Å; S1794-M1796 VanDerWaalsContact C-N 3.35Å; M1796-Y1798 VanDerWaalsContact C-N 3.35Å; M1796-L1799 HydrophobicContact SD-CD1 3.74Å; M1796-S1800 VanDerWaalsContact O-CB 3.23Å; M1796-S1800 WeakPolarHBondContact O-CB 3.19Å; M1796-S1800 PolarHBondContact O-N 2.8Å; M1796-H1806 HydrophobicContact CE-CB 3.8Å; M1796-H1806 HydrophobicContact SD-CB 4.24Å; M1796-L1809 HydrophobicContact CE-CD2 4.18Å; M1796-L1809 HydrophobicContact CG-CD2 3.76Å; M1796-L1809 HydrophobicContact SD-CD1 4.21Å; M1796-L1809 HydrophobicContact SD-CD2 3.91Å; M1796-I1824 HydrophobicContact CG-CD1 3.82Å; M1796-I1824 HydrophobicContact SD-CD1 3.73Å; M1796-D1867 HydrophobicContact CE-CB 3.71Å; M1796-D1867 VanDerWaalsContact CE-OD2 3.32Å; M1796-D1867 WeakPolarHBondContact CE-OD2 3.43Å; M1796-F1932 HydrophobicContact CB-CB 4.34Å; M1796-F1932 HydrophobicContact CB-CD1 3.41Å; M1796-F1932 VanDerWaalsContact CB-CD1 3.41Å; M1796-F1932 HydrophobicContact CB-CD2 3.71Å; M1796-F1932 HydrophobicContact CB-CE1 3.41Å; M1796-F1932 VanDerWaalsContact CB-CE1 3.41Å; M1796-F1932 HydrophobicContact CB-CE2 3.72Å; M1796-F1932 HydrophobicContact CB-CG 3.56Å; M1796-F1932 HydrophobicContact CB-CZ 3.56Å; M1796-F1932 HydrophobicContact CE-CE2 3.79Å; M1796-F1932 HydrophobicContact CE-CZ 3.74Å; M1796-F1932 HydrophobicContact CG-CD1 4.17Å; M1796-F1932 HydrophobicContact CG-CE1 3.67Å; M1796-F1932 HydrophobicContact CG-CE2 4.28Å; M1796-F1932 HydrophobicContact CG-CZ 3.73Å
1797	I	94.7	Very high	91.3	Very high	56 Å²	56	27.3 Å²	27.3	29%	0.287	15%	0.147	S	C	.	.	H	α-helix	trans	-59.2	-48.2	166.2	-68.1	168.5	0	0	0	109.7	A1793 S1794 S1801 F1932 K1933 C1936	A1793-I1797 WeakPolarHBondContact O-CG1 3.34Å; A1793-I1797 PolarHBondContact O-N 3.3Å; S1794-I1797 PolarHBondContact O-N 2.92Å; I1797-S1801 VanDerWaalsContact O-CB 3.27Å; I1797-S1801 WeakPolarHBondContact O-CB 3.09Å; I1797-S1801 PolarHBondContact O-N 3.19Å; I1797-S1801 PolarHBondContact O-OG 3.3Å; I1797-F1932 HydrophobicContact CG1-CB 3.75Å; I1797-K1933 HydrophobicContact CD1-CB 4.43Å; I1797-C1936 HydrophobicContact CD1-CB 3.69Å
1798	Y	92.8	Very high	91.2	Very high	29 Å²	29	25.8 Å²	25.8	11%	0.114	14%	0.14	C	C	.	.	H	α-helix	trans	-58.9	-52.3	178.6	175.1	-90.3	0	0	0	111.1	T1739 V1740 D1741 H1742 S1794 G1795 M1796 S1800 S1801 R1802	T1739-Y1798 PolarHBondContact O-OH 2.97Å; V1740-Y1798 HydrophobicContact CG1-CE1 4.32Å; D1741-Y1798 PolarHBondContact N-OH 3.14Å; D1741-Y1798 WeakPolarHBondContact O-CE2 3.33Å; D1741-Y1798 PolarHBondContact O-OH 2.97Å; H1742-Y1798 HydrophobicContact CB-CD1 3.65Å; H1742-Y1798 HydrophobicContact CB-CD2 3.85Å; H1742-Y1798 HydrophobicContact CB-CE1 3.96Å; H1742-Y1798 HydrophobicContact CB-CE2 4.11Å; H1742-Y1798 HydrophobicContact CB-CG 3.61Å; H1742-Y1798 AromaticContact CD2-CD2 3.69Å; H1742-Y1798 AromaticContact CD2-CG 3.73Å; H1742-Y1798 AromaticContact CG-CD2 3.95Å; H1742-Y1798 AromaticContact CG-CG 3.64Å; S1794-Y1798 PolarHBondContact O-N 2.95Å; S1794-Y1798 VanDerWaalsContact O-N 3.13Å; G1795-Y1798 WeakPolarHBondContact O-CB 3.14Å; G1795-Y1798 PolarHBondContact O-N 3.28Å; M1796-Y1798 VanDerWaalsContact C-N 3.35Å; Y1798-S1800 PolarHBondContact O-N 3.48Å; Y1798-S1801 PolarHBondContact O-N 3.35Å; Y1798-S1801 VanDerWaalsContact O-N 3.13Å; Y1798-S1801 PolarHBondContact O-OG 3.1Å; Y1798-R1802 HydrophobicContact CD1-CG 4.3Å; Y1798-R1802 HydrophobicContact CE1-CG 3.85Å; Y1798-R1802 HydrophobicContact CE2-CG 4.33Å; Y1798-R1802 WeakPolarHBondContact O-CG 3.07Å; Y1798-R1802 PolarHBondContact O-N 3.47Å; Y1798-R1802 PolarHBondContact OH-NE 3.28Å; Y1798-R1802 PolarHBondContact OH-NH2 3.43Å
1799	L	90.8	Very high	91.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-47.7	-179	-65.4	170.5	0	0	0	112	V1740 G1795 M1796 S1801 R1802 G1803 I1804 F1827	V1740-L1799 HydrophobicContact CG1-CD2 4.16Å; V1740-L1799 HydrophobicContact CG2-CD2 3.71Å; G1795-L1799 WeakPolarHBondContact O-CG 3.25Å; G1795-L1799 PolarHBondContact O-N 2.97Å; M1796-L1799 HydrophobicContact SD-CD1 3.74Å; L1799-S1801 VanDerWaalsContact C-N 3.28Å; L1799-S1801 PolarHBondContact O-N 2.94Å; L1799-R1802 CarbonylContact O-C 3.59Å; L1799-R1802 WeakPolarHBondContact O-CA 3.28Å; L1799-R1802 WeakPolarHBondContact O-CB 3.44Å; L1799-R1802 PolarHBondContact O-N 2.8Å; L1799-G1803 PolarHBondContact O-N 3.24Å; L1799-I1804 CarbonylContact C-O 3.59Å; L1799-I1804 HydrophobicContact CB-CB 4.25Å; L1799-I1804 HydrophobicContact CD2-CB 4.21Å; L1799-I1804 HydrophobicContact CD2-CD1 4.02Å; L1799-I1804 HydrophobicContact CD2-CG2 4.13Å; L1799-I1804 PolarHBondContact O-N 2.91Å; L1799-F1827 HydrophobicContact CD1-CE1 3.74Å; L1799-F1827 HydrophobicContact CD1-CZ 4.26Å; L1799-F1827 HydrophobicContact CD2-CE1 3.66Å; L1799-F1827 HydrophobicContact CD2-CZ 4.28Å; L1799-F1827 HydrophobicContact CG-CE1 4.37Å
1800	S	89.7	Confident	91.3	Very high	48 Å²	48	25.7 Å²	25.7	34%	0.336	14%	0.14	S	C	.	.	H	α-helix	trans	-61.9	-33.4	175.2	-174.9	0	0	0	0	112.6	M1796 Y1798 R1802 G1803 S1864	M1796-S1800 VanDerWaalsContact O-CB 3.23Å; M1796-S1800 WeakPolarHBondContact O-CB 3.19Å; M1796-S1800 PolarHBondContact O-N 2.8Å; Y1798-S1800 PolarHBondContact O-N 3.48Å; S1800-R1802 VanDerWaalsContact C-N 3.27Å; S1800-R1802 PolarHBondContact O-N 3.47Å; S1800-G1803 PolarHBondContact O-N 2.04Å; S1800-S1864 WeakPolarHBondContact OG-CB 3.34Å
1801	S	87.1	Confident	91.4	Very high	89 Å²	89	23 Å²	23	62%	0.622	13%	0.127	S	C	*	.	H	α-helix	trans	-73.6	-18.3	175.7	77.2	0	0	0	0	113.7	I1797 Y1798 L1799	I1797-S1801 VanDerWaalsContact O-CB 3.27Å; I1797-S1801 WeakPolarHBondContact O-CB 3.09Å; I1797-S1801 PolarHBondContact O-N 3.19Å; I1797-S1801 PolarHBondContact O-OG 3.3Å; Y1798-S1801 PolarHBondContact O-N 3.35Å; Y1798-S1801 VanDerWaalsContact O-N 3.13Å; Y1798-S1801 PolarHBondContact O-OG 3.1Å; L1799-S1801 VanDerWaalsContact C-N 3.28Å; L1799-S1801 PolarHBondContact O-N 2.94Å
1802	R	84	Confident	91.2	Very high	136 Å²	136	25.4 Å²	25.4	51%	0.513	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.4	172.2	-67.1	-63.8	-161	168.6	8.2	113.3	Y1798 L1799 S1800 I1804	Y1798-R1802 HydrophobicContact CD1-CG 4.3Å; Y1798-R1802 HydrophobicContact CE1-CG 3.85Å; Y1798-R1802 HydrophobicContact CE2-CG 4.33Å; Y1798-R1802 WeakPolarHBondContact O-CG 3.07Å; Y1798-R1802 PolarHBondContact O-N 3.47Å; Y1798-R1802 PolarHBondContact OH-NE 3.28Å; Y1798-R1802 PolarHBondContact OH-NH2 3.43Å; L1799-R1802 CarbonylContact O-C 3.59Å; L1799-R1802 WeakPolarHBondContact O-CA 3.28Å; L1799-R1802 WeakPolarHBondContact O-CB 3.44Å; L1799-R1802 PolarHBondContact O-N 2.8Å; S1800-R1802 VanDerWaalsContact C-N 3.27Å; S1800-R1802 PolarHBondContact O-N 3.47Å; R1802-I1804 VanDerWaalsContact C-N 3.29Å; R1802-I1804 HydrophobicContact CB-CD1 3.79Å; R1802-I1804 HydrophobicContact CB-CG1 3.88Å
1803	G	81.7	Confident	91	Very high	21 Å²	21	25.8 Å²	25.8	22%	0.216	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	20.9	-171.6	0	0	0	0	0	113.6	L1799 S1800 L1833	L1799-G1803 PolarHBondContact O-N 3.24Å; S1800-G1803 PolarHBondContact O-N 2.04Å; G1803-L1833 WeakPolarHBondContact O-CB 3.5Å; G1803-L1833 PolarHBondContact O-N 2.93Å
1804	I	84.3	Confident	90.9	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.1	178.9	-56.1	170.4	0	0	0	108.6	V1736 V1740 L1799 R1802 A1830 K1831	V1736-I1804 HydrophobicContact CG1-CD1 4.31Å; V1736-I1804 HydrophobicContact CG1-CG2 3.78Å; V1740-I1804 HydrophobicContact CG2-CD1 3.86Å; L1799-I1804 CarbonylContact C-O 3.59Å; L1799-I1804 HydrophobicContact CB-CB 4.25Å; L1799-I1804 HydrophobicContact CD2-CB 4.21Å; L1799-I1804 HydrophobicContact CD2-CD1 4.02Å; L1799-I1804 HydrophobicContact CD2-CG2 4.13Å; L1799-I1804 PolarHBondContact O-N 2.91Å; R1802-I1804 VanDerWaalsContact C-N 3.29Å; R1802-I1804 HydrophobicContact CB-CD1 3.79Å; R1802-I1804 HydrophobicContact CB-CG1 3.88Å; I1804-A1830 HydrophobicContact CG2-CB 4.29Å; I1804-K1831 WeakPolarHBondContact CA-O 3.42Å
1805	I	87.5	Confident	90.8	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.8	166.9	-49.2	161.9	0	0	0	107.6	R1807 A1830 K1831 L1833 F1862 D1867	I1805-R1807 HydrophobicContact CB-CG 4.08Å; I1805-R1807 HydrophobicContact CG2-CG 3.59Å; I1805-A1830 CarbonylContact O-C 3.59Å; I1805-A1830 WeakPolarHBondContact O-CA 3.39Å; I1805-A1830 WeakPolarHBondContact O-CB 3.33Å; I1805-K1831 PolarHBondContact N-O 3.45Å; I1805-K1831 PolarHBondContact O-N 2.97Å; I1805-L1833 HydrophobicContact CD1-CD1 3.82Å; I1805-L1833 HydrophobicContact CD1-CD2 3.76Å; I1805-L1833 HydrophobicContact CD1-CG 3.85Å; I1805-L1833 HydrophobicContact CG1-CD1 3.88Å; I1805-L1833 HydrophobicContact CG1-CG 4.16Å; I1805-F1862 HydrophobicContact CD1-CB 4.42Å; I1805-F1862 WeakPolarHBondContact CD1-O 3.25Å; I1805-F1862 HydrophobicContact CG2-CB 4.33Å; I1805-D1867 WeakPolarHBondContact CA-OD2 3.33Å; I1805-D1867 VanDerWaalsContact CG2-OD2 3.26Å; I1805-D1867 WeakPolarHBondContact CG2-OD2 3.01Å
1806	H	89.6	Confident	90.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.			trans	-78.2	-39.3	-178.1	-161.5	-86.4	0	0	0	112.9	M1796 D1808 L1809 I1824 T1825 F1827 D1867	M1796-H1806 HydrophobicContact CE-CB 3.8Å; M1796-H1806 HydrophobicContact SD-CB 4.24Å; H1806-D1808 PolarHBondContact CE1-O 3.11Å; H1806-D1808 VanDerWaalsContact ND1-C 3.3Å; H1806-D1808 PolarHBondContact ND1-O 3.09Å; H1806-D1808 PolarHBondContact O-N 3.26Å; H1806-L1809 PolarHBondContact ND1-N 3.49Å; H1806-I1824 WeakPolarHBondContact NE2-CG2 3.49Å; H1806-T1825 PolarHBondContact CE1-O 2.87Å; H1806-T1825 PolarHBondContact NE2-O 2.89Å; H1806-F1827 AromaticContact CD2-CD1 3.82Å; H1806-F1827 AromaticContact CD2-CE1 3.65Å; H1806-F1827 AromaticContact NE2-CD1 3.93Å; H1806-F1827 AromaticContact NE2-CE1 3.87Å; H1806-D1867 PolarHBondContact N-OD2 3.27Å
1807	R	88.9	Confident	90	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.079	14%	0.142	C	C	.	.	S	Bend	trans	64.4	-16.2	176.2	-54.9	-173.7	48.8	-120.3	2.1	116.8	I1805 L1829 F1862 D1867	I1805-R1807 HydrophobicContact CB-CG 4.08Å; I1805-R1807 HydrophobicContact CG2-CG 3.59Å; R1807-L1829 HydrophobicContact CB-CB 4.13Å; R1807-L1829 WeakPolarHBondContact CB-O 3.39Å; R1807-L1829 VanDerWaalsContact CD-O 3.22Å; R1807-L1829 WeakPolarHBondContact CD-O 3.42Å; R1807-L1829 PolarHBondContact NH1-O 3.45Å; R1807-F1862 HydrophobicContact CB-CD1 3.71Å; R1807-F1862 HydrophobicContact CB-CE1 3.93Å; R1807-F1862 HydrophobicContact CG-CB 3.99Å; R1807-F1862 HydrophobicContact CG-CD1 3.5Å; R1807-F1862 HydrophobicContact CG-CE1 4.19Å; R1807-F1862 HydrophobicContact CG-CG 3.92Å; R1807-F1862 VanDerWaalsContact NH2-CZ 3.27Å; R1807-D1867 PolarHBondContact N-OD1 3.25Å
1808	D	90.1	Very high	89.4	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.064	14%	0.139	C	C	.	.			trans	-139	60	170.4	-165.6	21.4	0	0	0	112.7	H1806 R1812 N1813 L1829 P1848	H1806-D1808 PolarHBondContact CE1-O 3.11Å; H1806-D1808 VanDerWaalsContact ND1-C 3.3Å; H1806-D1808 PolarHBondContact ND1-O 3.09Å; H1806-D1808 PolarHBondContact O-N 3.26Å; D1808-R1812 IonicContact OD1-CZ 3.35Å; D1808-R1812 IonicContact OD1-NH2 4Å; D1808-R1812 PolarHBondContact OD1-NH2 2.82Å; D1808-R1812 IonicContact OD2-CZ 2.64Å; D1808-R1812 IonicContact OD2-NH2 2.77Å; D1808-R1812 PolarHBondContact OD2-NH2 2.03Å; D1808-N1813 VanDerWaalsContact CG-ND2 3.3Å; D1808-N1813 PolarHBondContact O-ND2 2.74Å; D1808-N1813 PolarHBondContact OD2-ND2 3.28Å; D1808-L1829 HydrophobicContact CB-CD1 4.16Å; D1808-P1848 HydrophobicContact CB-CG 4.12Å; D1808-P1848 WeakPolarHBondContact OD1-CB 3.33Å; D1808-P1848 VanDerWaalsContact OD1-CG 3.23Å; D1808-P1848 WeakPolarHBondContact OD1-CG 3.31Å
1809	L	94.7	Very high	88.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.			trans	-83.4	118.6	174	-176.5	66	0	0	0	110	I1792 M1796 H1806 V1814 I1824 A1870 Y1871 T1874 F1932	I1792-L1809 HydrophobicContact CG2-CD1 4.16Å; I1792-L1809 HydrophobicContact CG2-CD2 4.47Å; M1796-L1809 HydrophobicContact CE-CD2 4.18Å; M1796-L1809 HydrophobicContact CG-CD2 3.76Å; M1796-L1809 HydrophobicContact SD-CD1 4.21Å; M1796-L1809 HydrophobicContact SD-CD2 3.91Å; H1806-L1809 PolarHBondContact ND1-N 3.49Å; L1809-V1814 HydrophobicContact CD1-CG2 4.46Å; L1809-I1824 HydrophobicContact CD1-CD1 4.42Å; L1809-I1824 HydrophobicContact CD1-CG2 4.18Å; L1809-A1870 HydrophobicContact CB-CB 4.18Å; L1809-Y1871 HydrophobicContact CD2-CD2 4.15Å; L1809-Y1871 HydrophobicContact CD2-CG 4.47Å; L1809-T1874 PolarHBondContact O-OG1 2.88Å; L1809-F1932 HydrophobicContact CD2-CZ 4.44Å
1810	A	95.1	Very high	88.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-156.5	161.3	-177.1	0	0	0	0	0	109.9	R1812 N1813 V1814 W1851 T1874	A1810-R1812 HydrophobicContact CB-CG 3.89Å; A1810-R1812 VanDerWaalsContact CB-NH1 3.33Å; A1810-R1812 PolarHBondContact O-N 2.04Å; A1810-R1812 VanDerWaalsContact O-N 3.08Å; A1810-N1813 CarbonylContact O-C 3.6Å; A1810-N1813 PolarHBondContact O-N 3.39Å; A1810-V1814 PolarHBondContact O-N 2.7Å; A1810-W1851 HydrophobicContact CB-CD2 4.36Å; A1810-W1851 HydrophobicContact CB-CG 4.15Å; A1810-T1874 WeakPolarHBondContact CA-OG1 3.1Å
1811	A	94.8	Very high	88.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23.3	179.2	0	0	0	0	0	113.6	L1769 L1770 T1874 E1877	L1769-A1811 WeakPolarHBondContact CB-O 3.11Å; L1769-A1811 PolarHBondContact N-O 3.37Å; L1770-A1811 HydrophobicContact CB-CB 3.92Å; L1770-A1811 HydrophobicContact CD1-CB 4.42Å; L1770-A1811 PolarHBondContact N-O 3.24Å; A1811-T1874 HydrophobicContact CB-CG2 4.41Å; A1811-E1877 HydrophobicContact CB-CB 3.81Å; A1811-E1877 HydrophobicContact CB-CG 4.43Å; A1811-E1877 WeakPolarHBondContact CB-OE2 3.36Å; A1811-E1877 PolarHBondContact N-OE2 3.23Å
1812	R	92	Very high	88.7	Confident	70 Å²	70	28.4 Å²	28.4	26%	0.264	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-72.5	-27.2	172.3	60.8	169.3	-163.7	-75.4	-0.3	114.2	S1768 L1770 D1808 A1810	S1768-R1812 WeakPolarHBondContact CB-O 3.38Å; L1770-R1812 HydrophobicContact CB-CB 4.33Å; L1770-R1812 HydrophobicContact CD2-CB 4Å; D1808-R1812 IonicContact OD1-CZ 3.35Å; D1808-R1812 IonicContact OD1-NH2 4Å; D1808-R1812 PolarHBondContact OD1-NH2 2.82Å; D1808-R1812 IonicContact OD2-CZ 2.64Å; D1808-R1812 IonicContact OD2-NH2 2.77Å; D1808-R1812 PolarHBondContact OD2-NH2 2.03Å; A1810-R1812 HydrophobicContact CB-CG 3.89Å; A1810-R1812 VanDerWaalsContact CB-NH1 3.33Å; A1810-R1812 PolarHBondContact O-N 2.04Å; A1810-R1812 VanDerWaalsContact O-N 3.08Å
1813	N	92.5	Very high	89.2	Confident	10 Å²	10	22.4 Å²	22.4	5%	0.053	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-101	16.9	-177.5	-68	0	0	0	0	111.5	D1808 A1810 T1825 D1826	D1808-N1813 VanDerWaalsContact CG-ND2 3.3Å; D1808-N1813 PolarHBondContact O-ND2 2.74Å; D1808-N1813 PolarHBondContact OD2-ND2 3.28Å; A1810-N1813 CarbonylContact O-C 3.6Å; A1810-N1813 PolarHBondContact O-N 3.39Å; N1813-T1825 WeakPolarHBondContact O-CG2 3.5Å; N1813-T1825 PolarHBondContact O-N 2.69Å; N1813-D1826 HydrophobicContact CB-CB 4.45Å
1814	V	93.8	Very high	89.7	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.3	163.5	178.1	0	0	0	0	106	S1768 L1769 I1792 L1809 A1810 V1822 Q1823 I1824	S1768-V1814 CarbonylContact C-O 2.86Å; S1768-V1814 WeakPolarHBondContact CA-O 3.14Å; L1769-V1814 HydrophobicContact CB-CB 4.08Å; L1769-V1814 HydrophobicContact CB-CG1 4.12Å; L1769-V1814 WeakPolarHBondContact CB-O 3.33Å; L1769-V1814 HydrophobicContact CD2-CB 4.33Å; L1769-V1814 HydrophobicContact CD2-CG1 4.02Å; L1769-V1814 PolarHBondContact N-O 3.37Å; I1792-V1814 HydrophobicContact CD1-CG1 4.11Å; I1792-V1814 HydrophobicContact CD1-CG2 3.98Å; I1792-V1814 HydrophobicContact CG1-CG1 4.07Å; I1792-V1814 HydrophobicContact CG1-CG2 4.03Å; L1809-V1814 HydrophobicContact CD1-CG2 4.46Å; A1810-V1814 PolarHBondContact O-N 2.7Å; V1814-V1822 HydrophobicContact CG1-CB 3.69Å; V1814-V1822 HydrophobicContact CG1-CG1 4.27Å; V1814-V1822 HydrophobicContact CG1-CG2 4.14Å; V1814-Q1823 CarbonylContact C-O 2.78Å; V1814-I1824 HydrophobicContact CG2-CG1 4.47Å
1815	L	91.9	Very high	90	Very high	35 Å²	35	22.2 Å²	22.2	18%	0.183	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	149.9	172.9	-59.6	-171.1	0	0	0	110	V1746 L1764 G1767 V1822 Q1823 T1825	V1746-L1815 HydrophobicContact CG2-CB 4.43Å; V1746-L1815 HydrophobicContact CG2-CD1 4.11Å; V1746-L1815 HydrophobicContact CG2-CG 4.4Å; L1764-L1815 HydrophobicContact CB-CB 4.1Å; L1764-L1815 HydrophobicContact CB-CD1 4.14Å; L1764-L1815 HydrophobicContact CD1-CD1 4.45Å; L1764-L1815 HydrophobicContact CD2-CB 3.59Å; L1764-L1815 HydrophobicContact CD2-CD1 4.49Å; L1764-L1815 HydrophobicContact CG-CB 4.38Å; G1767-L1815 WeakPolarHBondContact O-CA 3.31Å; L1815-V1822 CarbonylContact O-C 3.48Å; L1815-V1822 WeakPolarHBondContact O-CA 3.38Å; L1815-Q1823 PolarHBondContact N-O 3.02Å; L1815-Q1823 PolarHBondContact O-N 3.22Å; L1815-T1825 HydrophobicContact CD1-CG2 4.11Å; L1815-T1825 HydrophobicContact CD2-CG2 3.94Å; L1815-T1825 HydrophobicContact CG-CG2 3.6Å
1816	V	89.8	Confident	89.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	132.7	176.2	-164.4	0	0	0	0	108.9	L1764 L1766 G1767 L1769 F1772 S1818 V1822	L1764-V1816 WeakPolarHBondContact CB-O 3.31Å; L1766-V1816 HydrophobicContact CB-CB 3.73Å; L1766-V1816 HydrophobicContact CB-CG1 4.3Å; L1766-V1816 WeakPolarHBondContact CB-O 3.37Å; L1766-V1816 HydrophobicContact CD1-CB 3.92Å; L1766-V1816 HydrophobicContact CD1-CG1 3.52Å; L1766-V1816 HydrophobicContact CG-CB 4.5Å; G1767-V1816 PolarHBondContact O-N 2.72Å; L1769-V1816 HydrophobicContact CB-CG2 3.96Å; L1769-V1816 HydrophobicContact CD1-CG2 3.8Å; F1772-V1816 HydrophobicContact CB-CG2 3.85Å; F1772-V1816 HydrophobicContact CD2-CB 4.31Å; F1772-V1816 HydrophobicContact CD2-CG1 4.26Å; F1772-V1816 HydrophobicContact CD2-CG2 4.18Å; F1772-V1816 HydrophobicContact CE2-CG1 4.35Å; F1772-V1816 HydrophobicContact CG-CG2 4Å; V1816-S1818 WeakPolarHBondContact CG1-O 3.26Å; V1816-V1822 HydrophobicContact CB-CG1 4.35Å; V1816-V1822 HydrophobicContact CG1-CG1 4.06Å; V1816-V1822 HydrophobicContact CG2-CG1 4.12Å
1817	Q	85	Confident	88.7	Confident	47 Å²	47	23.8 Å²	23.8	22%	0.22	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-37.3	175	-168.9	-177.6	12.4	0	0	111.1	F1685 L1764 Q1821	F1685-Q1817 HydrophobicContact CE2-CG 4.46Å; L1764-Q1817 HydrophobicContact CD2-CB 3.9Å; L1764-Q1817 HydrophobicContact CG-CB 4.3Å; L1764-Q1817 HydrophobicContact CG-CG 4.46Å; Q1817-Q1821 HydrophobicContact CB-CB 4.33Å; Q1817-Q1821 HydrophobicContact CB-CG 4.3Å; Q1817-Q1821 PolarHBondContact N-O 2.89Å
1818	S	80.9	Confident	87.2	Confident	30 Å²	30	23.2 Å²	23.2	21%	0.21	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	171.1	169.9	65.2	0	0	0	0	108.6	V1816 D1820 Q1821	V1816-S1818 WeakPolarHBondContact CG1-O 3.26Å; S1818-D1820 PolarHBondContact O-N 3.27Å; S1818-D1820 PolarHBondContact OG-N 2.86Å; S1818-Q1821 PolarHBondContact N-O 2.96Å; S1818-Q1821 PolarHBondContact O-N 3.2Å; S1818-Q1821 VanDerWaalsContact O-O 3.12Å; S1818-Q1821 PolarHBondContact OG-N 2.87Å
1819	K	80.5	Confident	85.7	Confident	63 Å²	63	23.7 Å²	23.7	27%	0.274	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-27.8	173.5	-177.4	172.4	171.6	171.6	0	112.9	F1779 E1781 S1784 W1788	F1779-K1819 PolarHBondContact O-NZ 3.42Å; E1781-K1819 IonicContact OE1-NZ 3.03Å; E1781-K1819 PolarHBondContact OE1-NZ 2.88Å; S1784-K1819 VanDerWaalsContact OG-CE 3.27Å; S1784-K1819 WeakPolarHBondContact OG-CE 3.32Å; W1788-K1819 PolarHBondContact NE1-O 2.79Å
1820	D	84.2	Confident	84.2	Confident	99 Å²	99	24.3 Å²	24.3	53%	0.529	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.1	-179	-72	-56.7	0	0	0	115.6	Q1787 Q1791 S1818	Q1787-D1820 PolarHBondContact NE2-O 3.13Å; Q1787-D1820 PolarHBondContact NE2-OD1 2.85Å; Q1787-D1820 VanDerWaalsContact NE2-OD1 3.12Å; Q1791-D1820 PolarHBondContact NE2-O 2.54Å; Q1791-D1820 PolarHBondContact OE1-O 3.31Å; S1818-D1820 PolarHBondContact O-N 3.27Å; S1818-D1820 PolarHBondContact OG-N 2.86Å
1821	Q	88.3	Confident	82.9	Confident	45 Å²	45	27.8 Å²	27.8	21%	0.21	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	121.4	-172.8	-173	68.6	27	0	0	112.7	P1743 Q1817 S1818	P1743-Q1821 PolarHBondContact O-NE2 3.1Å; Q1817-Q1821 HydrophobicContact CB-CB 4.33Å; Q1817-Q1821 HydrophobicContact CB-CG 4.3Å; Q1817-Q1821 PolarHBondContact N-O 2.89Å; S1818-Q1821 PolarHBondContact N-O 2.96Å; S1818-Q1821 PolarHBondContact O-N 3.2Å; S1818-Q1821 VanDerWaalsContact O-O 3.12Å; S1818-Q1821 PolarHBondContact OG-N 2.87Å
1822	V	93.6	Very high	81.4	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	155.4	171	-66.3	0	0	0	0	112.6	L1769 W1788 Q1791 I1792 V1814 L1815 V1816	L1769-V1822 HydrophobicContact CD1-CG1 4.4Å; W1788-V1822 HydrophobicContact CB-CG1 4.26Å; W1788-V1822 HydrophobicContact CB-CG2 3.94Å; W1788-V1822 HydrophobicContact CD2-CG1 4.36Å; W1788-V1822 HydrophobicContact CG-CG1 3.78Å; W1788-V1822 HydrophobicContact CG-CG2 4.23Å; Q1791-V1822 HydrophobicContact CB-CG2 3.84Å; I1792-V1822 HydrophobicContact CD1-CG2 4.48Å; I1792-V1822 HydrophobicContact CG1-CG2 3.99Å; V1814-V1822 HydrophobicContact CG1-CB 3.69Å; V1814-V1822 HydrophobicContact CG1-CG1 4.27Å; V1814-V1822 HydrophobicContact CG1-CG2 4.14Å; L1815-V1822 CarbonylContact O-C 3.48Å; L1815-V1822 WeakPolarHBondContact O-CA 3.38Å; V1816-V1822 HydrophobicContact CB-CG1 4.35Å; V1816-V1822 HydrophobicContact CG1-CG1 4.06Å; V1816-V1822 HydrophobicContact CG2-CG1 4.12Å
1823	Q	93.4	Very high	80	Confident	10 Å²	10	27.8 Å²	27.8	5%	0.047	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	130.3	-178.2	-61.7	-163.8	-39.7	0	0	112.5	P1743 C1744 V1746 Q1762 L1764 V1814 L1815	P1743-Q1823 WeakPolarHBondContact O-CG 3.24Å; P1743-Q1823 PolarHBondContact O-NE2 2.76Å; C1744-Q1823 WeakPolarHBondContact O-CA 3.37Å; V1746-Q1823 HydrophobicContact CG2-CB 3.59Å; Q1762-Q1823 VanDerWaalsContact NE2-OE1 3.07Å; L1764-Q1823 HydrophobicContact CD2-CB 3.99Å; L1764-Q1823 HydrophobicContact CD2-CG 4.12Å; V1814-Q1823 CarbonylContact C-O 2.78Å; L1815-Q1823 PolarHBondContact N-O 3.02Å; L1815-Q1823 PolarHBondContact O-N 3.22Å
1824	I	93.6	Very high	78.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.3	177.5	-56.9	172.9	0	0	0	110.8	C1744 C1745 V1746 I1792 M1796 H1806 L1809 V1814 F1827	C1744-I1824 PolarHBondContact O-N 3.14Å; C1745-I1824 CarbonylContact C-O 3.57Å; C1745-I1824 WeakPolarHBondContact CA-O 3.33Å; V1746-I1824 PolarHBondContact N-O 2.68Å; I1792-I1824 HydrophobicContact CG2-CD1 4.11Å; I1792-I1824 HydrophobicContact CG2-CG1 4.38Å; M1796-I1824 HydrophobicContact CG-CD1 3.82Å; M1796-I1824 HydrophobicContact SD-CD1 3.73Å; H1806-I1824 WeakPolarHBondContact NE2-CG2 3.49Å; L1809-I1824 HydrophobicContact CD1-CD1 4.42Å; L1809-I1824 HydrophobicContact CD1-CG2 4.18Å; V1814-I1824 HydrophobicContact CG2-CG1 4.47Å; I1824-F1827 HydrophobicContact CG2-CZ 4.44Å
1825	T	89.1	Confident	76.1	Confident	20 Å²	20	37.5 Å²	37.5	12%	0.123	20%	0.204	C	C	.	.			trans	-142.6	-178	-175.2	-157.7	0	0	0	0	113.2	H1806 N1813 L1815	H1806-T1825 PolarHBondContact CE1-O 2.87Å; H1806-T1825 PolarHBondContact NE2-O 2.89Å; N1813-T1825 WeakPolarHBondContact O-CG2 3.5Å; N1813-T1825 PolarHBondContact O-N 2.69Å; L1815-T1825 HydrophobicContact CD1-CG2 4.11Å; L1815-T1825 HydrophobicContact CD2-CG2 3.94Å; L1815-T1825 HydrophobicContact CG-CG2 3.6Å
1826	D	78	Confident	74	Confident	35 Å²	35	41.1 Å²	41.1	19%	0.187	23%	0.228	C	C	.	.			trans	58	60.8	179.1	-158.2	17.7	0	0	0	113.5	K1716 N1813 G1828	K1716-D1826 IonicContact NZ-OD1 3.78Å; K1716-D1826 PolarHBondContact NZ-OD1 2.82Å; N1813-D1826 HydrophobicContact CB-CB 4.45Å; D1826-G1828 PolarHBondContact O-N 2.88Å
1827	F	71.9	Confident	72.6	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-70.7	16.9	174.8	-62.6	-91.4	0	0	0	112.9	E1733 V1736 M1737 V1740 C1745 L1799 H1806 I1824 L1829 A1830	E1733-F1827 HydrophobicContact CG-CB 4.18Å; V1736-F1827 HydrophobicContact CG1-CB 4.37Å; V1736-F1827 HydrophobicContact CG1-CD1 4.22Å; M1737-F1827 HydrophobicContact CE-CD2 3.85Å; M1737-F1827 HydrophobicContact CE-CE2 4.27Å; M1737-F1827 HydrophobicContact CG-CB 3.71Å; M1737-F1827 HydrophobicContact CG-CD2 3.6Å; M1737-F1827 HydrophobicContact CG-CG 3.88Å; M1737-F1827 HydrophobicContact SD-CB 4.43Å; M1737-F1827 HydrophobicContact SD-CD2 4.03Å; V1740-F1827 HydrophobicContact CG1-CZ 4.03Å; V1740-F1827 HydrophobicContact CG2-CE1 4.13Å; V1740-F1827 HydrophobicContact CG2-CZ 4.3Å; C1745-F1827 HydrophobicContact CB-CZ 4.36Å; L1799-F1827 HydrophobicContact CD1-CE1 3.74Å; L1799-F1827 HydrophobicContact CD1-CZ 4.26Å; L1799-F1827 HydrophobicContact CD2-CE1 3.66Å; L1799-F1827 HydrophobicContact CD2-CZ 4.28Å; L1799-F1827 HydrophobicContact CG-CE1 4.37Å; H1806-F1827 AromaticContact CD2-CD1 3.82Å; H1806-F1827 AromaticContact CD2-CE1 3.65Å; H1806-F1827 AromaticContact NE2-CD1 3.93Å; H1806-F1827 AromaticContact NE2-CE1 3.87Å; I1824-F1827 HydrophobicContact CG2-CZ 4.44Å; F1827-L1829 PolarHBondContact O-N 2.87Å; F1827-A1830 HydrophobicContact CB-CB 3.81Å; F1827-A1830 HydrophobicContact CD1-CB 3.92Å; F1827-A1830 HydrophobicContact CG-CB 4.37Å; F1827-A1830 VanDerWaalsContact O-CB 3.27Å; F1827-A1830 WeakPolarHBondContact O-CB 3.21Å; F1827-A1830 PolarHBondContact O-N 2.84Å
1828	G	58.9	Low	71.6	Confident	9 Å²	9	48.8 Å²	48.8	9%	0.093	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-63.2	-22.3	-176.3	0	0	0	0	0	115	E1733 D1826	E1733-G1828 VanDerWaalsContact OE2-CA 3.24Å; E1733-G1828 WeakPolarHBondContact OE2-CA 3.43Å; D1826-G1828 PolarHBondContact O-N 2.88Å
1829	L	57.3	Low	71.4	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.12	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-106.5	-1.5	168.7	-68.4	179.8	0	0	0	113.2	F1640 R1807 D1808 F1827	F1640-L1829 HydrophobicContact CE2-CG 4.42Å; F1640-L1829 HydrophobicContact CZ-CD2 3.92Å; F1640-L1829 HydrophobicContact CZ-CG 3.9Å; R1807-L1829 HydrophobicContact CB-CB 4.13Å; R1807-L1829 WeakPolarHBondContact CB-O 3.39Å; R1807-L1829 VanDerWaalsContact CD-O 3.22Å; R1807-L1829 WeakPolarHBondContact CD-O 3.42Å; R1807-L1829 PolarHBondContact NH1-O 3.45Å; D1808-L1829 HydrophobicContact CB-CD1 4.16Å; F1827-L1829 PolarHBondContact O-N 2.87Å
1830	A	63.4	Low	71.1	Confident	12 Å²	12	50.5 Å²	50.5	10%	0.099	28%	0.277	C	S	.	.			trans	-69.2	153.2	-174.8	0	0	0	0	0	112	V1736 I1804 I1805 F1827	V1736-A1830 HydrophobicContact CG1-CB 4.1Å; I1804-A1830 HydrophobicContact CG2-CB 4.29Å; I1805-A1830 CarbonylContact O-C 3.59Å; I1805-A1830 WeakPolarHBondContact O-CA 3.39Å; I1805-A1830 WeakPolarHBondContact O-CB 3.33Å; F1827-A1830 HydrophobicContact CB-CB 3.81Å; F1827-A1830 HydrophobicContact CD1-CB 3.92Å; F1827-A1830 HydrophobicContact CG-CB 4.37Å; F1827-A1830 VanDerWaalsContact O-CB 3.27Å; F1827-A1830 WeakPolarHBondContact O-CB 3.21Å; F1827-A1830 PolarHBondContact O-N 2.84Å
1831	K	67.5	Low	70.7	Confident	74 Å²	74	49.6 Å²	49.6	32%	0.322	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.3	-177.1	-174.6	68.4	-177.1	-178.4	0	110.8	I1804 I1805 L1833 Y1840	I1804-K1831 WeakPolarHBondContact CA-O 3.42Å; I1805-K1831 PolarHBondContact N-O 3.45Å; I1805-K1831 PolarHBondContact O-N 2.97Å; K1831-L1833 PolarHBondContact O-N 3.45Å; K1831-Y1840 HydrophobicContact CB-CD1 4.21Å; K1831-Y1840 HydrophobicContact CB-CG 4.32Å; K1831-Y1840 HydrophobicContact CD-CD2 4.15Å; K1831-Y1840 HydrophobicContact CD-CE1 4.43Å; K1831-Y1840 HydrophobicContact CD-CE2 3.91Å; K1831-Y1840 HydrophobicContact CG-CD1 4.01Å; K1831-Y1840 HydrophobicContact CG-CD2 3.75Å; K1831-Y1840 HydrophobicContact CG-CE1 4.25Å; K1831-Y1840 HydrophobicContact CG-CE2 4.02Å; K1831-Y1840 HydrophobicContact CG-CG 3.73Å
1832	C	63.6	Low	69.7	Low	41 Å²	41	47.8 Å²	47.8	28%	0.277	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.7	157.7	-64	0	0	0	0	108.7
1833	L	63.4	Low	67.8	Low	29 Å²	29	51.2 Å²	51.2	15%	0.152	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-73.4	134.3	165.1	-67	164.2	0	0	0	109.2	G1803 I1805 K1831 H1837 E1839	G1803-L1833 WeakPolarHBondContact O-CB 3.5Å; G1803-L1833 PolarHBondContact O-N 2.93Å; I1805-L1833 HydrophobicContact CD1-CD1 3.82Å; I1805-L1833 HydrophobicContact CD1-CD2 3.76Å; I1805-L1833 HydrophobicContact CD1-CG 3.85Å; I1805-L1833 HydrophobicContact CG1-CD1 3.88Å; I1805-L1833 HydrophobicContact CG1-CG 4.16Å; K1831-L1833 PolarHBondContact O-N 3.45Å; L1833-H1837 WeakPolarHBondContact CD1-O 3.32Å; L1833-H1837 HydrophobicContact CD2-CB 4.2Å; L1833-E1839 VanDerWaalsContact CD2-C 3.47Å; L1833-E1839 WeakPolarHBondContact CD2-O 3.4Å
1834	D	55	Low	66.2	Low	112 Å²	112	52.3 Å²	52.3	60%	0.599	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-65.9	147.8	159.1	-71.9	-60.7	0	0	0	109	T1836 H1837	D1834-T1836 PolarHBondContact O-N 2.95Å; D1834-H1837 PolarHBondContact O-N 2.85Å
1835	T	48.7	Very low	64.5	Low	101 Å²	101	55.2 Å²	55.2	62%	0.62	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-3.5	-168.6	51	0	0	0	0	115.7	L1614	L1614-T1835 HydrophobicContact CD1-CG2 3.98Å
1836	T	48.5	Very low	63.3	Low	112 Å²	112	62.8 Å²	62.8	69%	0.687	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.6	174.6	45.5	0	0	0	0	114.1	D1834	D1834-T1836 PolarHBondContact O-N 2.95Å
1837	H	59.1	Low	63.1	Low	114 Å²	114	63.1 Å²	63.1	53%	0.528	36%	0.358	S	S	.	.			trans	-124.3	131.8	-172.3	-57.7	-70.7	0	0	0	112.1	L1833 D1834	L1833-H1837 WeakPolarHBondContact CD1-O 3.32Å; L1833-H1837 HydrophobicContact CD2-CB 4.2Å; D1834-H1837 PolarHBondContact O-N 2.85Å
1838	S	64.9	Low	63.8	Low	94 Å²	94	63.9 Å²	63.9	66%	0.657	36%	0.363	S	S	*	.	S	Bend	trans	-87.7	-9	170.1	46.8	0	0	0	0	113.3
1839	E	76.9	Confident	65.3	Low	78 Å²	78	66.3 Å²	66.3	36%	0.364	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.3	-169.7	58.9	-179.1	-146.2	0	0	111	L1833 H1841 I1861 F1862	L1833-E1839 VanDerWaalsContact CD2-C 3.47Å; L1833-E1839 WeakPolarHBondContact CD2-O 3.4Å; E1839-H1841 IonicContact OE1-CD2 2.74Å; E1839-H1841 IonicContact OE1-CE1 2.82Å; E1839-H1841 IonicContact OE1-NE2 2.69Å; E1839-H1841 PolarHBondContact OE1-NE2 2.82Å; E1839-I1861 HydrophobicContact CB-CG2 3.96Å; E1839-I1861 HydrophobicContact CG-CG2 4.43Å; E1839-F1862 CarbonylContact C-O 3.45Å; E1839-F1862 VanDerWaalsContact CA-O 3.24Å; E1839-F1862 WeakPolarHBondContact CA-O 3.5Å
1840	Y	73.3	Confident	67	Low	50 Å²	50	66.5 Å²	66.5	20%	0.196	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	111.4	179.6	174.6	-112.8	0	0	0	110.4	K1831 A1842 F1862	K1831-Y1840 HydrophobicContact CB-CD1 4.21Å; K1831-Y1840 HydrophobicContact CB-CG 4.32Å; K1831-Y1840 HydrophobicContact CD-CD2 4.15Å; K1831-Y1840 HydrophobicContact CD-CE1 4.43Å; K1831-Y1840 HydrophobicContact CD-CE2 3.91Å; K1831-Y1840 HydrophobicContact CG-CD1 4.01Å; K1831-Y1840 HydrophobicContact CG-CD2 3.75Å; K1831-Y1840 HydrophobicContact CG-CE1 4.25Å; K1831-Y1840 HydrophobicContact CG-CE2 4.02Å; K1831-Y1840 HydrophobicContact CG-CG 3.73Å; Y1840-A1842 HydrophobicContact CD1-CB 4.15Å; Y1840-A1842 HydrophobicContact CE1-CB 3.73Å; Y1840-A1842 PolarHBondContact O-N 3.12Å; Y1840-F1862 PolarHBondContact N-O 2.89Å; Y1840-F1862 PolarHBondContact O-N 3.03Å
1841	H	76.5	Confident	68.5	Low	80 Å²	80	67.4 Å²	67.4	37%	0.37	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.9	172.6	-69.5	-118	0	0	0	108.9	E1839	E1839-H1841 IonicContact OE1-CD2 2.74Å; E1839-H1841 IonicContact OE1-CE1 2.82Å; E1839-H1841 IonicContact OE1-NE2 2.69Å; E1839-H1841 PolarHBondContact OE1-NE2 2.82Å
1842	A	67.2	Low	69.8	Low	8 Å²	8	64.2 Å²	64.2	7%	0.066	36%	0.361	C	S	.	.			trans	-89.2	121	-170.6	0	0	0	0	0	113.2	Y1840 G1844 R1860 F1862	Y1840-A1842 HydrophobicContact CD1-CB 4.15Å; Y1840-A1842 HydrophobicContact CE1-CB 3.73Å; Y1840-A1842 PolarHBondContact O-N 3.12Å; A1842-G1844 PolarHBondContact O-N 3.43Å; A1842-R1860 HydrophobicContact CB-CB 4.46Å; A1842-R1860 PolarHBondContact N-O 3.1Å; A1842-R1860 WeakPolarHBondContact O-CD 3.39Å; A1842-F1862 HydrophobicContact CB-CD2 3.78Å; A1842-F1862 HydrophobicContact CB-CE2 3.55Å
1843	S	53.3	Low	71.3	Confident	72 Å²	72	62.3 Å²	62.3	50%	0.503	35%	0.347	S	S	.	.			trans	-57.2	-10	-179	-42.7	0	0	0	0	116.9	N479	N479-S1843 WeakPolarHBondContact O-CB 3.35Å; N479-S1843 PolarHBondContact O-OG 3.13Å
1844	G	60.2	Low	72.8	Confident	33 Å²	33	61.5 Å²	61.5	34%	0.34	34%	0.343	S	S	.	.			trans	140.4	-159.4	-170.4	0	0	0	0	0	112.3	A1842	A1842-G1844 PolarHBondContact O-N 3.43Å
1845	G	58.1	Low	74.6	Confident	62 Å²	62	57.1 Å²	57.1	64%	0.639	32%	0.319	S	S	*	.			trans	105.2	177.9	179.1	0	0	0	0	0	114.4
1846	R	62.9	Low	76.7	Confident	178 Å²	178	52.3 Å²	52.3	67%	0.672	29%	0.29	S	S	*	.			trans	-72.1	140.9	171.1	-70.2	177.6	176	161.2	-1.6	109.5	A1639	A1639-R1846 PolarHBondContact O-NH1 3.24Å
1847	M	75.6	Confident	78.6	Confident	43 Å²	43	48.6 Å²	48.6	21%	0.212	27%	0.265	C	S	.	.			trans	-134.2	134.8	-172.4	-77.3	168.3	66.4	0	0	111.5	I1849 L1852 C1856 R1860 F1862	M1847-I1849 HydrophobicContact CB-CG1 4.38Å; M1847-I1849 PolarHBondContact O-N 3.16Å; M1847-L1852 HydrophobicContact CB-CD1 3.92Å; M1847-L1852 HydrophobicContact CE-CD1 3.65Å; M1847-L1852 HydrophobicContact CG-CD1 4.4Å; M1847-C1856 WeakPolarHBondContact CE-O 3.41Å; M1847-R1860 PolarHBondContact SD-NH1 3.2Å; M1847-F1862 HydrophobicContact CE-CZ 4.22Å
1848	P	86.5	Confident	80	Confident	16 Å²	16	45 Å²	45	10%	0.104	25%	0.249	C	C	.	.			trans	-82.2	57.6	-177.3	35.5	-38.7	0	0	0	111.9	D1808 K1850 W1851 L1852	D1808-P1848 HydrophobicContact CB-CG 4.12Å; D1808-P1848 WeakPolarHBondContact OD1-CB 3.33Å; D1808-P1848 VanDerWaalsContact OD1-CG 3.23Å; D1808-P1848 WeakPolarHBondContact OD1-CG 3.31Å; P1848-K1850 PolarHBondContact O-N 3.23Å; P1848-W1851 HydrophobicContact CB-CE3 4.38Å; P1848-W1851 PolarHBondContact O-N 3.46Å; P1848-L1852 HydrophobicContact CG-CD1 4.49Å; P1848-L1852 HydrophobicContact CG-CD2 3.84Å; P1848-L1852 HydrophobicContact CG-CG 4.04Å
1849	I	90.1	Very high	80.9	Confident	61 Å²	61	44 Å²	44	31%	0.313	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-41.7	-41.8	-162.9	-61.7	167.4	0	0	0	115	M1847 W1851 L1852 I1857 A1891 L1894	M1847-I1849 HydrophobicContact CB-CG1 4.38Å; M1847-I1849 PolarHBondContact O-N 3.16Å; I1849-W1851 PolarHBondContact O-N 3.28Å; I1849-L1852 PolarHBondContact O-N 2.85Å; I1849-I1857 HydrophobicContact CG2-CD1 4.24Å; I1849-I1857 HydrophobicContact CG2-CG1 4.42Å; I1849-A1891 HydrophobicContact CB-CB 4.17Å; I1849-A1891 HydrophobicContact CD1-CB 4.09Å; I1849-A1891 HydrophobicContact CG2-CB 3.94Å; I1849-L1894 HydrophobicContact CG2-CD2 4.18Å
1850	K	93.3	Very high	81.4	Confident	26 Å²	26	45 Å²	45	11%	0.113	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69	-11.4	-178.2	-79.2	-178.5	152.2	-152.9	0	115.9	P1848 P1885 Y1886 E1887 I1889 L1894	P1848-K1850 PolarHBondContact O-N 3.23Å; K1850-P1885 VanDerWaalsContact CD-O 3.27Å; K1850-P1885 WeakPolarHBondContact CD-O 3.46Å; K1850-P1885 WeakPolarHBondContact CE-O 3.29Å; K1850-P1885 PolarHBondContact NZ-O 2.82Å; K1850-Y1886 WeakPolarHBondContact CE-O 3.49Å; K1850-Y1886 PolarHBondContact NZ-O 2.71Å; K1850-E1887 PolarHBondContact NZ-O 3.23Å; K1850-I1889 WeakPolarHBondContact CE-O 3.4Å; K1850-I1889 PolarHBondContact NZ-O 2.76Å; K1850-L1894 HydrophobicContact CG-CD2 4.14Å
1851	W	95	Very high	82	Confident	32 Å²	32	44.1 Å²	44.1	12%	0.121	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-108.3	-9.5	173.8	-67.9	-103.1	0	0	0	113	A1810 P1848 I1849 A1870 I1873 E1877 P1885	A1810-W1851 HydrophobicContact CB-CD2 4.36Å; A1810-W1851 HydrophobicContact CB-CG 4.15Å; P1848-W1851 HydrophobicContact CB-CE3 4.38Å; P1848-W1851 PolarHBondContact O-N 3.46Å; I1849-W1851 PolarHBondContact O-N 3.28Å; W1851-A1870 WeakPolarHBondContact O-CA 3.28Å; W1851-A1870 WeakPolarHBondContact O-CB 3.42Å; W1851-I1873 VanDerWaalsContact CD1-CG2 3.41Å; W1851-I1873 HydrophobicContact CG-CG2 4.02Å; W1851-E1877 WeakPolarHBondContact CZ2-OE1 3.45Å; W1851-E1877 PolarHBondContact NE1-OE1 2.95Å; W1851-E1877 PolarHBondContact NE1-OE2 3.23Å; W1851-P1885 HydrophobicContact CZ2-CG 4.07Å
1852	L	93.6	Very high	82.6	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	22%	0.217	C	C	.	.			trans	-79.2	150.5	-174.1	-68.7	-175.5	0	0	0	112.7	M1847 P1848 I1849 C1856 I1857 F1862 W1869	M1847-L1852 HydrophobicContact CB-CD1 3.92Å; M1847-L1852 HydrophobicContact CE-CD1 3.65Å; M1847-L1852 HydrophobicContact CG-CD1 4.4Å; P1848-L1852 HydrophobicContact CG-CD1 4.49Å; P1848-L1852 HydrophobicContact CG-CD2 3.84Å; P1848-L1852 HydrophobicContact CG-CG 4.04Å; I1849-L1852 PolarHBondContact O-N 2.85Å; L1852-C1856 HydrophobicContact CB-CB 3.86Å; L1852-C1856 HydrophobicContact CD1-CB 4.18Å; L1852-C1856 HydrophobicContact CD2-CB 4.15Å; L1852-C1856 HydrophobicContact CG-CB 4.29Å; L1852-I1857 HydrophobicContact CB-CD1 4.18Å; L1852-I1857 HydrophobicContact CB-CG1 3.8Å; L1852-F1862 HydrophobicContact CD1-CZ 4.43Å; L1852-F1862 HydrophobicContact CD2-CE1 3.73Å; L1852-F1862 HydrophobicContact CD2-CZ 4.4Å; L1852-W1869 PolarHBondContact O-NE1 2.82Å
1853	A	95.3	Very high	83.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.			trans	-73.3	163.8	171.4	0	0	0	0	0	112.1	E1855 C1856 I1857 W1869	A1853-E1855 VanDerWaalsContact CB-CD 3.49Å; A1853-E1855 WeakPolarHBondContact CB-OE1 3.34Å; A1853-E1855 WeakPolarHBondContact CB-OE2 3.44Å; A1853-E1855 PolarHBondContact O-N 3.03Å; A1853-C1856 WeakPolarHBondContact O-CB 3.22Å; A1853-C1856 PolarHBondContact O-N 2.94Å; A1853-C1856 VanDerWaalsContact O-N 3.08Å; A1853-I1857 WeakPolarHBondContact O-CG1 3.12Å; A1853-I1857 PolarHBondContact O-N 3.43Å; A1853-I1857 VanDerWaalsContact O-N 3.13Å; A1853-W1869 HydrophobicContact CB-CB 3.71Å; A1853-W1869 HydrophobicContact CB-CD2 3.93Å; A1853-W1869 HydrophobicContact CB-CE3 4.23Å; A1853-W1869 HydrophobicContact CB-CG 3.69Å
1854	I	94.1	Very high	85.6	Confident	13 Å²	13	39.1 Å²	39.1	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-47.9	-178	-65	175.6	0	0	0	111.1	C1856 I1857 Q1858 W1869 L1895 L1898 A1924	I1854-C1856 VanDerWaalsContact C-N 3.26Å; I1854-C1856 PolarHBondContact O-N 2.04Å; I1854-I1857 PolarHBondContact O-N 2.03Å; I1854-Q1858 PolarHBondContact O-N 3.26Å; I1854-W1869 HydrophobicContact CD1-CH2 3.81Å; I1854-W1869 HydrophobicContact CD1-CZ3 4.08Å; I1854-W1869 HydrophobicContact CG1-CH2 3.69Å; I1854-W1869 HydrophobicContact CG1-CZ2 4.33Å; I1854-W1869 HydrophobicContact CG1-CZ3 4.05Å; I1854-L1895 HydrophobicContact CG2-CD1 4.09Å; I1854-L1898 HydrophobicContact CD1-CB 4Å; I1854-L1898 HydrophobicContact CG1-CB 3.97Å; I1854-L1898 HydrophobicContact CG1-CD1 4.26Å; I1854-A1924 HydrophobicContact CD1-CB 4.27Å
1855	E	93.7	Very high	87.3	Confident	19 Å²	19	39.7 Å²	39.7	9%	0.089	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-22.3	178.5	76.1	-74.4	-175.9	0	0	113.8	A1853 D1859 R1860 I1861 S1866 P1926 R1929	A1853-E1855 VanDerWaalsContact CB-CD 3.49Å; A1853-E1855 WeakPolarHBondContact CB-OE1 3.34Å; A1853-E1855 WeakPolarHBondContact CB-OE2 3.44Å; A1853-E1855 PolarHBondContact O-N 3.03Å; E1855-D1859 PolarHBondContact O-N 3.35Å; E1855-R1860 PolarHBondContact O-N 2.86Å; E1855-R1860 VanDerWaalsContact O-N 3.11Å; E1855-I1861 HydrophobicContact CG-CB 4.36Å; E1855-I1861 PolarHBondContact O-N 3.2Å; E1855-S1866 VanDerWaalsContact OE1-CB 3.3Å; E1855-S1866 WeakPolarHBondContact OE1-CB 3.23Å; E1855-P1926 HydrophobicContact CG-CG 4.01Å; E1855-R1929 IonicContact OE1-CZ 3.74Å; E1855-R1929 IonicContact OE1-NH1 3.35Å; E1855-R1929 PolarHBondContact OE1-NH1 3.02Å; E1855-R1929 IonicContact OE1-NH2 3.8Å; E1855-R1929 IonicContact OE2-CZ 2.83Å; E1855-R1929 IonicContact OE2-NH1 2.8Å; E1855-R1929 PolarHBondContact OE2-NH1 3.08Å; E1855-R1929 IonicContact OE2-NH2 3.72Å; E1855-R1929 PolarHBondContact OE2-NH2 2.55Å
1856	C	92.1	Very high	89	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-76.5	-29	170.6	-76.3	0	0	0	0	112.3	M1847 L1852 A1853 I1854 I1861 F1862 S1866	M1847-C1856 WeakPolarHBondContact CE-O 3.41Å; L1852-C1856 HydrophobicContact CB-CB 3.86Å; L1852-C1856 HydrophobicContact CD1-CB 4.18Å; L1852-C1856 HydrophobicContact CD2-CB 4.15Å; L1852-C1856 HydrophobicContact CG-CB 4.29Å; A1853-C1856 WeakPolarHBondContact O-CB 3.22Å; A1853-C1856 PolarHBondContact O-N 2.94Å; A1853-C1856 VanDerWaalsContact O-N 3.08Å; I1854-C1856 VanDerWaalsContact C-N 3.26Å; I1854-C1856 PolarHBondContact O-N 2.04Å; C1856-I1861 PolarHBondContact SG-O 3.35Å; C1856-F1862 HydrophobicContact CB-CE1 4.28Å; C1856-F1862 HydrophobicContact CB-CZ 4.35Å; C1856-F1862 WeakPolarHBondContact SG-CD1 2.96Å; C1856-S1866 WeakPolarHBondContact SG-CB 3.41Å
1857	I	90	Very high	90.6	Very high	34 Å²	34	28.6 Å²	28.6	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-86.2	-40.4	-177.5	-64.1	168.1	0	0	0	110.7	I1849 L1852 A1853 I1854 L1895 L1898	I1849-I1857 HydrophobicContact CG2-CD1 4.24Å; I1849-I1857 HydrophobicContact CG2-CG1 4.42Å; L1852-I1857 HydrophobicContact CB-CD1 4.18Å; L1852-I1857 HydrophobicContact CB-CG1 3.8Å; A1853-I1857 WeakPolarHBondContact O-CG1 3.12Å; A1853-I1857 PolarHBondContact O-N 3.43Å; A1853-I1857 VanDerWaalsContact O-N 3.13Å; I1854-I1857 PolarHBondContact O-N 2.03Å; I1857-L1895 HydrophobicContact CG2-CB 4.06Å; I1857-L1895 HydrophobicContact CG2-CD1 4.28Å; I1857-L1895 HydrophobicContact CG2-CD2 4.4Å; I1857-L1895 HydrophobicContact CG2-CG 4.48Å; I1857-L1898 HydrophobicContact CD1-CD1 4.26Å
1858	Q	86.6	Confident	91.7	Very high	39 Å²	39	26.6 Å²	26.6	18%	0.182	13%	0.131	C	C	.	.	S	Bend	trans	-75.4	-83	174.3	-70.7	175.3	-46.4	0	0	110.7	I1854 R1860 L1895 E1899	I1854-Q1858 PolarHBondContact O-N 3.26Å; Q1858-R1860 VanDerWaalsContact C-N 3.31Å; Q1858-R1860 PolarHBondContact O-N 3.15Å; Q1858-L1895 HydrophobicContact CG-CD1 3.58Å; Q1858-L1895 HydrophobicContact CG-CD2 3.56Å; Q1858-L1895 HydrophobicContact CG-CG 4.2Å; Q1858-E1899 PolarHBondContact NE2-OE1 3.45Å
1859	D	84.3	Confident	92.2	Very high	71 Å²	71	25.9 Å²	25.9	38%	0.38	13%	0.126	S	C	.	.	S	Bend	trans	-89.9	3.1	-163.1	-44.7	-61.7	0	0	0	113.2	S1185 E1855 I1861	S1185-D1859 WeakPolarHBondContact CB-OD1 3.26Å; S1185-D1859 PolarHBondContact OG-OD1 3.42Å; E1855-D1859 PolarHBondContact O-N 3.35Å; D1859-I1861 HydrophobicContact CB-CD1 3.86Å; D1859-I1861 HydrophobicContact CB-CG1 3.89Å; D1859-I1861 PolarHBondContact O-N 3Å
1860	R	86.9	Confident	92.5	Very high	99 Å²	99	23.1 Å²	23.1	37%	0.374	11%	0.113	S	C	.	.			trans	59.4	28	-178.3	-52.1	175.5	-179.7	-84.8	-6.2	113.4	A1842 M1847 E1855 Q1858 F1862	A1842-R1860 HydrophobicContact CB-CB 4.46Å; A1842-R1860 PolarHBondContact N-O 3.1Å; A1842-R1860 WeakPolarHBondContact O-CD 3.39Å; M1847-R1860 PolarHBondContact SD-NH1 3.2Å; E1855-R1860 PolarHBondContact O-N 2.86Å; E1855-R1860 VanDerWaalsContact O-N 3.11Å; Q1858-R1860 VanDerWaalsContact C-N 3.31Å; Q1858-R1860 PolarHBondContact O-N 3.15Å; R1860-F1862 VanDerWaalsContact O-CD2 3.26Å; R1860-F1862 WeakPolarHBondContact O-CD2 3.44Å
1861	I	87.4	Confident	92.8	Very high	32 Å²	32	21.9 Å²	21.9	16%	0.164	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119	178.8	-57.4	176.9	0	0	0	108.8	E1839 E1855 C1856 D1859	E1839-I1861 HydrophobicContact CB-CG2 3.96Å; E1839-I1861 HydrophobicContact CG-CG2 4.43Å; E1855-I1861 HydrophobicContact CG-CB 4.36Å; E1855-I1861 PolarHBondContact O-N 3.2Å; C1856-I1861 PolarHBondContact SG-O 3.35Å; D1859-I1861 HydrophobicContact CB-CD1 3.86Å; D1859-I1861 HydrophobicContact CB-CG1 3.89Å; D1859-I1861 PolarHBondContact O-N 3Å
1862	F	88.9	Confident	92.9	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.4	174.6	-66.5	-100.9	0	0	0	110.2	I1805 R1807 E1839 Y1840 A1842 M1847 L1852 C1856 R1860	I1805-F1862 HydrophobicContact CD1-CB 4.42Å; I1805-F1862 WeakPolarHBondContact CD1-O 3.25Å; I1805-F1862 HydrophobicContact CG2-CB 4.33Å; R1807-F1862 HydrophobicContact CB-CD1 3.71Å; R1807-F1862 HydrophobicContact CB-CE1 3.93Å; R1807-F1862 HydrophobicContact CG-CB 3.99Å; R1807-F1862 HydrophobicContact CG-CD1 3.5Å; R1807-F1862 HydrophobicContact CG-CE1 4.19Å; R1807-F1862 HydrophobicContact CG-CG 3.92Å; R1807-F1862 VanDerWaalsContact NH2-CZ 3.27Å; E1839-F1862 CarbonylContact C-O 3.45Å; E1839-F1862 VanDerWaalsContact CA-O 3.24Å; E1839-F1862 WeakPolarHBondContact CA-O 3.5Å; Y1840-F1862 PolarHBondContact N-O 2.89Å; Y1840-F1862 PolarHBondContact O-N 3.03Å; A1842-F1862 HydrophobicContact CB-CD2 3.78Å; A1842-F1862 HydrophobicContact CB-CE2 3.55Å; M1847-F1862 HydrophobicContact CE-CZ 4.22Å; L1852-F1862 HydrophobicContact CD1-CZ 4.43Å; L1852-F1862 HydrophobicContact CD2-CE1 3.73Å; L1852-F1862 HydrophobicContact CD2-CZ 4.4Å; C1856-F1862 HydrophobicContact CB-CE1 4.28Å; C1856-F1862 HydrophobicContact CB-CZ 4.35Å; C1856-F1862 WeakPolarHBondContact SG-CD1 2.96Å; R1860-F1862 VanDerWaalsContact O-CD2 3.26Å; R1860-F1862 WeakPolarHBondContact O-CD2 3.44Å
1863	S	91	Very high	93.1	Very high	14 Å²	14	20 Å²	20	10%	0.098	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	174.8	178.2	68.4	0	0	0	0	111	K1865 S1866 D1867	S1863-K1865 PolarHBondContact O-N 2.83Å; S1863-K1865 PolarHBondContact OG-N 2.64Å; S1863-K1865 VanDerWaalsContact OG-N 3.16Å; S1863-S1866 PolarHBondContact N-OG 3.02Å; S1863-S1866 PolarHBondContact O-N 3.12Å; S1863-S1866 PolarHBondContact O-OG 3.14Å; S1863-S1866 PolarHBondContact OG-N 2.91Å; S1863-D1867 PolarHBondContact O-N 2.97Å; S1863-D1867 VanDerWaalsContact O-N 3.09Å
1864	S	92	Very high	93.2	Very high	41 Å²	41	20 Å²	20	29%	0.287	10%	0.1	S	C	.	.	H	α-helix	trans	-60.6	-23.3	169.3	57.8	0	0	0	0	112.8	S1800 V1868 F1932	S1800-S1864 WeakPolarHBondContact OG-CB 3.34Å; S1864-V1868 WeakPolarHBondContact O-CG2 3.41Å; S1864-V1868 PolarHBondContact O-N 2.74Å; S1864-V1868 VanDerWaalsContact O-N 3.16Å; S1864-F1932 WeakPolarHBondContact O-CE2 3.41Å
1865	K	95.7	Very high	93.3	Very high	45 Å²	45	19.4 Å²	19.4	20%	0.196	10%	0.097	C	C	.	.	H	α-helix	trans	-79.1	-24.1	173.5	-59.7	-72	-154	157.7	0	113.1	S1863 W1869 P1926 N1927 R1929	S1863-K1865 PolarHBondContact O-N 2.83Å; S1863-K1865 PolarHBondContact OG-N 2.64Å; S1863-K1865 VanDerWaalsContact OG-N 3.16Å; K1865-W1869 PolarHBondContact O-N 2.77Å; K1865-P1926 HydrophobicContact CB-CB 3.8Å; K1865-P1926 WeakPolarHBondContact CB-O 3.2Å; K1865-P1926 WeakPolarHBondContact CD-O 3.31Å; K1865-P1926 WeakPolarHBondContact CE-O 3.39Å; K1865-P1926 HydrophobicContact CG-CB 4.42Å; K1865-P1926 WeakPolarHBondContact CG-O 3.35Å; K1865-N1927 PolarHBondContact NZ-O 2.75Å; K1865-R1929 PolarHBondContact NZ-O 3.4Å; K1865-R1929 WeakPolarHBondContact O-CD 3.38Å; K1865-R1929 PolarHBondContact O-NH1 3.26Å
1866	S	95	Very high	93.5	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-77.2	-36.3	170.3	72.3	0	0	0	0	111.5	E1855 C1856 S1863 V1868 W1869 A1870	E1855-S1866 VanDerWaalsContact OE1-CB 3.3Å; E1855-S1866 WeakPolarHBondContact OE1-CB 3.23Å; C1856-S1866 WeakPolarHBondContact SG-CB 3.41Å; S1863-S1866 PolarHBondContact N-OG 3.02Å; S1863-S1866 PolarHBondContact O-N 3.12Å; S1863-S1866 PolarHBondContact O-OG 3.14Å; S1863-S1866 PolarHBondContact OG-N 2.91Å; S1866-V1868 VanDerWaalsContact C-N 3.26Å; S1866-V1868 PolarHBondContact O-N 3Å; S1866-W1869 WeakPolarHBondContact O-CB 3.02Å; S1866-W1869 PolarHBondContact O-N 3.19Å; S1866-A1870 PolarHBondContact O-N 3.1Å
1867	D	95.9	Very high	93.7	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-33.2	170.8	-79.3	-12.6	0	0	0	112	M1796 I1805 H1806 R1807 S1863 W1869 A1870 Y1871 F1932	M1796-D1867 HydrophobicContact CE-CB 3.71Å; M1796-D1867 VanDerWaalsContact CE-OD2 3.32Å; M1796-D1867 WeakPolarHBondContact CE-OD2 3.43Å; I1805-D1867 WeakPolarHBondContact CA-OD2 3.33Å; I1805-D1867 VanDerWaalsContact CG2-OD2 3.26Å; I1805-D1867 WeakPolarHBondContact CG2-OD2 3.01Å; H1806-D1867 PolarHBondContact N-OD2 3.27Å; R1807-D1867 PolarHBondContact N-OD1 3.25Å; S1863-D1867 PolarHBondContact O-N 2.97Å; S1863-D1867 VanDerWaalsContact O-N 3.09Å; D1867-W1869 VanDerWaalsContact C-N 3.34Å; D1867-W1869 PolarHBondContact O-N 2.98Å; D1867-A1870 PolarHBondContact O-N 2.64Å; D1867-Y1871 WeakPolarHBondContact O-CB 3.25Å; D1867-Y1871 PolarHBondContact O-N 2.95Å; D1867-F1932 HydrophobicContact CB-CE2 3.85Å; D1867-F1932 HydrophobicContact CB-CZ 3.88Å
1868	V	97.6	Very high	93.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-61.7	-39.3	172.8	159.8	0	0	0	0	112.2	S1864 S1866 Y1871 G1872 C1921 R1929 P1930 F1932 L1935	S1864-V1868 WeakPolarHBondContact O-CG2 3.41Å; S1864-V1868 PolarHBondContact O-N 2.74Å; S1864-V1868 VanDerWaalsContact O-N 3.16Å; S1866-V1868 VanDerWaalsContact C-N 3.26Å; S1866-V1868 PolarHBondContact O-N 3Å; V1868-Y1871 WeakPolarHBondContact O-CB 3.27Å; V1868-Y1871 PolarHBondContact O-N 2.85Å; V1868-G1872 PolarHBondContact O-N 3.23Å; V1868-C1921 HydrophobicContact CG1-CB 4.06Å; V1868-C1921 WeakPolarHBondContact O-CB 3.02Å; V1868-R1929 HydrophobicContact CG1-CB 3.93Å; V1868-P1930 WeakPolarHBondContact CG1-O 3.45Å; V1868-P1930 WeakPolarHBondContact CG2-O 3.5Å; V1868-F1932 HydrophobicContact CB-CZ 4.41Å; V1868-F1932 HydrophobicContact CG2-CD1 4.2Å; V1868-F1932 HydrophobicContact CG2-CD2 3.8Å; V1868-F1932 HydrophobicContact CG2-CE1 4.03Å; V1868-F1932 HydrophobicContact CG2-CE2 3.6Å; V1868-F1932 HydrophobicContact CG2-CG 4.09Å; V1868-F1932 HydrophobicContact CG2-CZ 3.73Å; V1868-L1935 HydrophobicContact CG1-CD1 4.01Å; V1868-L1935 HydrophobicContact CG2-CD1 4.06Å
1869	W	97.8	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-48.3	174	177.7	-70.3	0	0	0	110.8	L1852 A1853 I1854 K1865 S1866 D1867 Y1871 G1872 I1873 L1898 C1921 W1922	L1852-W1869 PolarHBondContact O-NE1 2.82Å; A1853-W1869 HydrophobicContact CB-CB 3.71Å; A1853-W1869 HydrophobicContact CB-CD2 3.93Å; A1853-W1869 HydrophobicContact CB-CE3 4.23Å; A1853-W1869 HydrophobicContact CB-CG 3.69Å; I1854-W1869 HydrophobicContact CD1-CH2 3.81Å; I1854-W1869 HydrophobicContact CD1-CZ3 4.08Å; I1854-W1869 HydrophobicContact CG1-CH2 3.69Å; I1854-W1869 HydrophobicContact CG1-CZ2 4.33Å; I1854-W1869 HydrophobicContact CG1-CZ3 4.05Å; K1865-W1869 PolarHBondContact O-N 2.77Å; S1866-W1869 WeakPolarHBondContact O-CB 3.02Å; S1866-W1869 PolarHBondContact O-N 3.19Å; D1867-W1869 VanDerWaalsContact C-N 3.34Å; D1867-W1869 PolarHBondContact O-N 2.98Å; W1869-Y1871 VanDerWaalsContact C-N 3.27Å; W1869-Y1871 PolarHBondContact O-N 3.22Å; W1869-G1872 WeakPolarHBondContact O-CA 3.36Å; W1869-G1872 PolarHBondContact O-N 3.2Å; W1869-I1873 WeakPolarHBondContact O-CG1 3.22Å; W1869-I1873 PolarHBondContact O-N 3.32Å; W1869-L1898 HydrophobicContact CH2-CD1 4.38Å; W1869-L1898 HydrophobicContact CH2-CD2 4.15Å; W1869-L1898 HydrophobicContact CZ2-CD1 3.81Å; W1869-L1898 HydrophobicContact CZ2-CD2 3.82Å; W1869-L1898 HydrophobicContact CZ2-CG 4.37Å; W1869-C1921 WeakPolarHBondContact CA-O 3.45Å; W1869-W1922 HydrophobicContact CD2-CB 4.34Å; W1869-W1922 AromaticContact CD2-CD1 3.73Å; W1869-W1922 HydrophobicContact CD2-CG 4.39Å; W1869-W1922 AromaticContact CE2-CD1 3.89Å; W1869-W1922 HydrophobicContact CE3-CB 4.05Å; W1869-W1922 AromaticContact CG-CD1 3.84Å; W1869-W1922 HydrophobicContact CH2-CB 4.16Å; W1869-W1922 HydrophobicContact CZ2-CB 4.46Å; W1869-W1922 HydrophobicContact CZ3-CB 3.96Å; W1869-W1922 VanDerWaalsContact CZ3-O 3.28Å; W1869-W1922 WeakPolarHBondContact CZ3-O 3.03Å; W1869-W1922 PolarHBondContact O-NE1 2.87Å
1870	A	97.3	Very high	94.6	Very high	4 Å²	4	13.6 Å²	13.6	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-62.1	-33.6	177.4	0	0	0	0	0	112.5	L1809 W1851 S1866 D1867 I1873 T1874	L1809-A1870 HydrophobicContact CB-CB 4.18Å; W1851-A1870 WeakPolarHBondContact O-CA 3.28Å; W1851-A1870 WeakPolarHBondContact O-CB 3.42Å; S1866-A1870 PolarHBondContact O-N 3.1Å; D1867-A1870 PolarHBondContact O-N 2.64Å; A1870-I1873 PolarHBondContact O-N 2.88Å; A1870-T1874 PolarHBondContact O-N 2.87Å; A1870-T1874 PolarHBondContact O-OG1 2.86Å
1871	Y	97.8	Very high	94.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.9	-42.8	169.8	177.8	-102.9	0	0	0	112.4	S1789 I1792 A1793 L1809 D1867 V1868 W1869 I1873 T1874 L1875 F1932 L1935 L1939	S1789-Y1871 PolarHBondContact O-OH 3.41Å; I1792-Y1871 HydrophobicContact CB-CE2 3.95Å; I1792-Y1871 HydrophobicContact CG2-CD2 3.7Å; I1792-Y1871 HydrophobicContact CG2-CE2 3.63Å; A1793-Y1871 HydrophobicContact CB-CE2 4.3Å; L1809-Y1871 HydrophobicContact CD2-CD2 4.15Å; L1809-Y1871 HydrophobicContact CD2-CG 4.47Å; D1867-Y1871 WeakPolarHBondContact O-CB 3.25Å; D1867-Y1871 PolarHBondContact O-N 2.95Å; V1868-Y1871 WeakPolarHBondContact O-CB 3.27Å; V1868-Y1871 PolarHBondContact O-N 2.85Å; W1869-Y1871 VanDerWaalsContact C-N 3.27Å; W1869-Y1871 PolarHBondContact O-N 3.22Å; Y1871-I1873 VanDerWaalsContact C-N 3.31Å; Y1871-I1873 PolarHBondContact O-N 2.91Å; Y1871-T1874 CarbonylContact O-C 3.59Å; Y1871-T1874 WeakPolarHBondContact O-CA 3.22Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.43Å; Y1871-T1874 PolarHBondContact O-N 3.08Å; Y1871-T1874 VanDerWaalsContact O-N 3.08Å; Y1871-L1875 HydrophobicContact CD1-CD1 4.17Å; Y1871-L1875 HydrophobicContact CD1-CG 4.31Å; Y1871-L1875 HydrophobicContact CE1-CD1 3.58Å; Y1871-L1875 HydrophobicContact CE1-CD2 4.29Å; Y1871-L1875 HydrophobicContact CE1-CG 3.91Å; Y1871-L1875 HydrophobicContact CE2-CD2 4.3Å; Y1871-L1875 HydrophobicContact CE2-CG 4.48Å; Y1871-L1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-L1875 PolarHBondContact O-N 2.8Å; Y1871-F1932 HydrophobicContact CD1-CE1 4.22Å; Y1871-F1932 HydrophobicContact CD2-CE1 4.08Å; Y1871-F1932 AromaticContact CG-CE1 3.73Å; Y1871-F1932 HydrophobicContact CG-CE1 3.73Å; Y1871-L1935 HydrophobicContact CD1-CD1 3.78Å; Y1871-L1935 HydrophobicContact CE1-CB 4.39Å; Y1871-L1935 HydrophobicContact CE1-CD1 3.98Å; Y1871-L1935 HydrophobicContact CE1-CD2 4.42Å; Y1871-L1939 HydrophobicContact CE1-CD1 4.41Å; Y1871-L1939 WeakPolarHBondContact OH-CD1 3.47Å
1872	G	97.5	Very high	94.8	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57	-43.2	171.3	0	0	0	0	0	112.4	V1868 W1869 T1874 L1875 W1876 W1922	V1868-G1872 PolarHBondContact O-N 3.23Å; W1869-G1872 WeakPolarHBondContact O-CA 3.36Å; W1869-G1872 PolarHBondContact O-N 3.2Å; G1872-T1874 VanDerWaalsContact C-N 3.34Å; G1872-T1874 PolarHBondContact O-N 3.14Å; G1872-L1875 PolarHBondContact O-N 3.44Å; G1872-W1876 PolarHBondContact O-N 3.48Å; G1872-W1876 VanDerWaalsContact O-N 3.09Å; G1872-W1922 VanDerWaalsContact C-CZ2 3.48Å; G1872-W1922 WeakPolarHBondContact O-CZ2 3.3Å
1873	I	97.6	Very high	94.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.1	-40.8	173.8	-53.6	-67.8	0	0	0	110.9	W1851 W1869 A1870 Y1871 L1875 W1876 E1877 P1885 Y1886 L1904 W1922	W1851-I1873 VanDerWaalsContact CD1-CG2 3.41Å; W1851-I1873 HydrophobicContact CG-CG2 4.02Å; W1869-I1873 WeakPolarHBondContact O-CG1 3.22Å; W1869-I1873 PolarHBondContact O-N 3.32Å; A1870-I1873 PolarHBondContact O-N 2.88Å; Y1871-I1873 VanDerWaalsContact C-N 3.31Å; Y1871-I1873 PolarHBondContact O-N 2.91Å; I1873-L1875 PolarHBondContact O-N 2.66Å; I1873-W1876 WeakPolarHBondContact O-CB 3.48Å; I1873-W1876 PolarHBondContact O-N 2.98Å; I1873-W1876 VanDerWaalsContact O-N 3.14Å; I1873-E1877 PolarHBondContact O-N 3.03Å; I1873-P1885 HydrophobicContact CG2-CB 3.79Å; I1873-P1885 HydrophobicContact CG2-CG 3.44Å; I1873-P1885 VanDerWaalsContact CG2-CG 3.44Å; I1873-Y1886 HydrophobicContact CD1-CE2 3.91Å; I1873-L1904 HydrophobicContact CD1-CD1 3.58Å; I1873-L1904 HydrophobicContact CD1-CG 4.4Å; I1873-L1904 HydrophobicContact CG2-CD1 4.39Å; I1873-W1922 HydrophobicContact CD1-CZ2 3.88Å
1874	T	97.3	Very high	94.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.6	-41	176.8	-56.5	0	0	0	0	112	I1792 L1809 A1810 A1811 A1870 Y1871 G1872 W1876 E1877 M1878	I1792-T1874 HydrophobicContact CD1-CG2 4.41Å; L1809-T1874 PolarHBondContact O-OG1 2.88Å; A1810-T1874 WeakPolarHBondContact CA-OG1 3.1Å; A1811-T1874 HydrophobicContact CB-CG2 4.41Å; A1870-T1874 PolarHBondContact O-N 2.87Å; A1870-T1874 PolarHBondContact O-OG1 2.86Å; Y1871-T1874 CarbonylContact O-C 3.59Å; Y1871-T1874 WeakPolarHBondContact O-CA 3.22Å; Y1871-T1874 WeakPolarHBondContact O-CB 3.43Å; Y1871-T1874 PolarHBondContact O-N 3.08Å; Y1871-T1874 VanDerWaalsContact O-N 3.08Å; G1872-T1874 VanDerWaalsContact C-N 3.34Å; G1872-T1874 PolarHBondContact O-N 3.14Å; T1874-W1876 VanDerWaalsContact C-N 3.31Å; T1874-W1876 PolarHBondContact O-N 3.01Å; T1874-E1877 PolarHBondContact O-N 2.95Å; T1874-M1878 HydrophobicContact CG2-SD 4.26Å; T1874-M1878 VanDerWaalsContact O-CG 3.29Å; T1874-M1878 WeakPolarHBondContact O-CG 3.39Å; T1874-M1878 PolarHBondContact O-N 2.04Å
1875	L	97.3	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.7	-37.9	173.1	-68	-175.4	0	0	0	111.8	S1789 Y1871 G1872 I1873 M1878 C1879 M1918	S1789-L1875 WeakPolarHBondContact OG-CD2 3.24Å; Y1871-L1875 HydrophobicContact CD1-CD1 4.17Å; Y1871-L1875 HydrophobicContact CD1-CG 4.31Å; Y1871-L1875 HydrophobicContact CE1-CD1 3.58Å; Y1871-L1875 HydrophobicContact CE1-CD2 4.29Å; Y1871-L1875 HydrophobicContact CE1-CG 3.91Å; Y1871-L1875 HydrophobicContact CE2-CD2 4.3Å; Y1871-L1875 HydrophobicContact CE2-CG 4.48Å; Y1871-L1875 WeakPolarHBondContact O-CG 3.48Å; Y1871-L1875 PolarHBondContact O-N 2.8Å; G1872-L1875 PolarHBondContact O-N 3.44Å; I1873-L1875 PolarHBondContact O-N 2.66Å; L1875-M1878 HydrophobicContact CD2-SD 4.32Å; L1875-M1878 PolarHBondContact O-N 2.97Å; L1875-C1879 WeakPolarHBondContact O-CB 3.42Å; L1875-C1879 PolarHBondContact O-N 3.18Å; L1875-C1879 PolarHBondContact O-SG 3.11Å; L1875-M1918 HydrophobicContact CB-CE 4.06Å; L1875-M1918 HydrophobicContact CB-CG 4.45Å
1876	W	97	Very high	94.8	Very high	17 Å²	17	15.8 Å²	15.8	6%	0.064	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-43.7	175.3	-171.6	94.9	0	0	0	112.2	G1872 I1873 T1874 M1878 C1879 T1880 H1883 P1885 L1904 P1905 P1907 M1918 W1922	G1872-W1876 PolarHBondContact O-N 3.48Å; G1872-W1876 VanDerWaalsContact O-N 3.09Å; I1873-W1876 WeakPolarHBondContact O-CB 3.48Å; I1873-W1876 PolarHBondContact O-N 2.98Å; I1873-W1876 VanDerWaalsContact O-N 3.14Å; T1874-W1876 VanDerWaalsContact C-N 3.31Å; T1874-W1876 PolarHBondContact O-N 3.01Å; W1876-M1878 VanDerWaalsContact C-N 3.31Å; W1876-M1878 PolarHBondContact O-N 3.37Å; W1876-C1879 PolarHBondContact O-N 2.84Å; W1876-T1880 HydrophobicContact CD2-CG2 3.91Å; W1876-T1880 HydrophobicContact CE3-CG2 4.17Å; W1876-T1880 HydrophobicContact CH2-CG2 4.08Å; W1876-T1880 HydrophobicContact CZ2-CG2 3.8Å; W1876-T1880 HydrophobicContact CZ3-CG2 4.25Å; W1876-T1880 WeakPolarHBondContact O-CB 3.46Å; W1876-T1880 WeakPolarHBondContact O-CG2 3.46Å; W1876-T1880 PolarHBondContact O-N 2.92Å; W1876-T1880 PolarHBondContact O-OG1 2.92Å; W1876-H1883 HydrophobicContact CH2-CB 3.93Å; W1876-H1883 HydrophobicContact CZ3-CB 3.99Å; W1876-P1885 HydrophobicContact CE3-CG 4.47Å; W1876-L1904 HydrophobicContact CB-CD1 4.04Å; W1876-L1904 HydrophobicContact CD2-CB 4.24Å; W1876-L1904 HydrophobicContact CD2-CD1 3.62Å; W1876-L1904 HydrophobicContact CD2-CG 4.37Å; W1876-L1904 HydrophobicContact CE3-CD1 3.91Å; W1876-L1904 HydrophobicContact CG-CB 4.18Å; W1876-L1904 HydrophobicContact CG-CD1 3.67Å; W1876-L1904 HydrophobicContact CZ2-CB 4.43Å; W1876-L1904 HydrophobicContact CZ2-CD2 4.36Å; W1876-P1905 HydrophobicContact CZ2-CG 4.46Å; W1876-P1905 PolarHBondContact NE1-O 3.11Å; W1876-P1907 VanDerWaalsContact CD1-CG 3.47Å; W1876-P1907 HydrophobicContact CG-CG 4.2Å; W1876-M1918 HydrophobicContact CB-SD 4.02Å; W1876-W1922 HydrophobicContact CB-CH2 4.13Å; W1876-W1922 HydrophobicContact CB-CZ2 4.14Å; W1876-W1922 HydrophobicContact CG-CH2 4.3Å
1877	E	96.8	Very high	94.4	Very high	3 Å²	3	20.7 Å²	20.7	1%	0.014	9%	0.092	C	C	.	.	H	α-helix	trans	-56.7	-45	172.1	-70.9	-177.2	112.3	0	0	111.2	I1773 A1811 W1851 I1873 T1874 T1880 F1881 G1882 P1885	I1773-E1877 WeakPolarHBondContact CD1-O 3.1Å; A1811-E1877 HydrophobicContact CB-CB 3.81Å; A1811-E1877 HydrophobicContact CB-CG 4.43Å; A1811-E1877 WeakPolarHBondContact CB-OE2 3.36Å; A1811-E1877 PolarHBondContact N-OE2 3.23Å; W1851-E1877 WeakPolarHBondContact CZ2-OE1 3.45Å; W1851-E1877 PolarHBondContact NE1-OE1 2.95Å; W1851-E1877 PolarHBondContact NE1-OE2 3.23Å; I1873-E1877 PolarHBondContact O-N 3.03Å; T1874-E1877 PolarHBondContact O-N 2.95Å; E1877-T1880 PolarHBondContact O-OG1 2.65Å; E1877-F1881 PolarHBondContact O-N 3.25Å; E1877-G1882 PolarHBondContact O-N 3.24Å; E1877-P1885 HydrophobicContact CG-CG 3.81Å
1878	M	94.7	Very high	93.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-45.9	177.7	-72.5	168.3	54.5	0	0	112.7	L1769 L1785 W1788 S1789 I1792 T1874 L1875 W1876 F1881	L1769-M1878 HydrophobicContact CD2-CG 3.93Å; L1769-M1878 HydrophobicContact CD2-SD 3.94Å; L1785-M1878 HydrophobicContact CD2-CB 4.17Å; L1785-M1878 HydrophobicContact CD2-CE 4.42Å; L1785-M1878 WeakPolarHBondContact O-CE 2.99Å; W1788-M1878 HydrophobicContact CB-CE 3.75Å; W1788-M1878 HydrophobicContact CE3-CE 4.36Å; S1789-M1878 WeakPolarHBondContact OG-CE 3.5Å; I1792-M1878 HydrophobicContact CD1-SD 3.82Å; T1874-M1878 HydrophobicContact CG2-SD 4.26Å; T1874-M1878 VanDerWaalsContact O-CG 3.29Å; T1874-M1878 WeakPolarHBondContact O-CG 3.39Å; T1874-M1878 PolarHBondContact O-N 2.04Å; L1875-M1878 HydrophobicContact CD2-SD 4.32Å; L1875-M1878 PolarHBondContact O-N 2.97Å; W1876-M1878 VanDerWaalsContact C-N 3.31Å; W1876-M1878 PolarHBondContact O-N 3.37Å; M1878-F1881 PolarHBondContact O-N 3.5Å
1879	C	92.7	Very high	93.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-72.9	-28.4	-177.4	-64.1	0	0	0	0	112.7	L1875 W1876 F1881 P1907 T1909 T1910 M1918	L1875-C1879 WeakPolarHBondContact O-CB 3.42Å; L1875-C1879 PolarHBondContact O-N 3.18Å; L1875-C1879 PolarHBondContact O-SG 3.11Å; W1876-C1879 PolarHBondContact O-N 2.84Å; C1879-F1881 VanDerWaalsContact C-N 3.3Å; C1879-P1907 HydrophobicContact CB-CB 3.92Å; C1879-P1907 HydrophobicContact CB-CG 3.95Å; C1879-T1909 WeakPolarHBondContact O-CG2 3.25Å; C1879-T1909 PolarHBondContact O-OG1 2.9Å; C1879-T1910 HydrophobicContact CB-CG2 3.72Å; C1879-M1918 HydrophobicContact CB-CE 4.15Å
1880	T	91.7	Very high	92.8	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.117	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	13	174.4	57.3	0	0	0	0	113.4	W1876 E1877 G1882 H1883 P1907	W1876-T1880 HydrophobicContact CD2-CG2 3.91Å; W1876-T1880 HydrophobicContact CE3-CG2 4.17Å; W1876-T1880 HydrophobicContact CH2-CG2 4.08Å; W1876-T1880 HydrophobicContact CZ2-CG2 3.8Å; W1876-T1880 HydrophobicContact CZ3-CG2 4.25Å; W1876-T1880 WeakPolarHBondContact O-CB 3.46Å; W1876-T1880 WeakPolarHBondContact O-CG2 3.46Å; W1876-T1880 PolarHBondContact O-N 2.92Å; W1876-T1880 PolarHBondContact O-OG1 2.92Å; E1877-T1880 PolarHBondContact O-OG1 2.65Å; T1880-G1882 PolarHBondContact O-N 3.3Å; T1880-H1883 PolarHBondContact O-CD2 3.09Å; T1880-H1883 PolarHBondContact O-N 3.06Å; T1880-H1883 PolarHBondContact OG1-N 3.33Å; T1880-P1907 HydrophobicContact CG2-CB 3.8Å; T1880-P1907 HydrophobicContact CG2-CG 3.88Å
1881	F	90.6	Very high	92	Very high	18 Å²	18	37.9 Å²	37.9	8%	0.079	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	29.2	-176.6	-52.4	-68.3	0	0	0	114.3	K1774 W1777 I1780 E1877 M1878 C1879 T1909 I1952	K1774-F1881 WeakPolarHBondContact CG-O 3.33Å; W1777-F1881 HydrophobicContact CB-CB 3.98Å; W1777-F1881 HydrophobicContact CB-CD1 3.81Å; W1777-F1881 HydrophobicContact CB-CE1 4.45Å; W1777-F1881 HydrophobicContact CB-CG 3.88Å; I1780-F1881 HydrophobicContact CB-CE1 4.22Å; I1780-F1881 HydrophobicContact CD1-CD1 4.24Å; I1780-F1881 HydrophobicContact CD1-CE1 4.47Å; I1780-F1881 HydrophobicContact CG2-CE1 4.15Å; E1877-F1881 PolarHBondContact O-N 3.25Å; M1878-F1881 PolarHBondContact O-N 3.5Å; C1879-F1881 VanDerWaalsContact C-N 3.3Å; F1881-T1909 HydrophobicContact CE2-CG2 3.66Å; F1881-T1909 HydrophobicContact CZ-CG2 4.01Å; F1881-I1952 HydrophobicContact CE1-CD1 4.36Å; F1881-I1952 HydrophobicContact CZ-CD1 3.98Å; F1881-I1952 HydrophobicContact CZ-CG1 4.09Å; F1881-I1952 HydrophobicContact CZ-CG2 4.12Å
1882	G	89.6	Confident	91.3	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	21	173.6	0	0	0	0	0	116.3	K1774 E1877 T1880	K1774-G1882 WeakPolarHBondContact CE-O 3.04Å; K1774-G1882 PolarHBondContact NZ-O 3.14Å; E1877-G1882 PolarHBondContact O-N 3.24Å; T1880-G1882 PolarHBondContact O-N 3.3Å
1883	H	89.4	Confident	91	Very high	104 Å²	104	48.9 Å²	48.9	48%	0.481	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-57.8	153.1	167.8	-75.5	-143.4	0	0	0	110.6	W1876 T1880 P1885	W1876-H1883 HydrophobicContact CH2-CB 3.93Å; W1876-H1883 HydrophobicContact CZ3-CB 3.99Å; T1880-H1883 PolarHBondContact O-CD2 3.09Å; T1880-H1883 PolarHBondContact O-N 3.06Å; T1880-H1883 PolarHBondContact OG1-N 3.33Å; H1883-P1885 WeakPolarHBondContact O-CD 3.34Å
1884	R	90.6	Very high	90.6	Very high	140 Å²	140	48.9 Å²	48.9	53%	0.528	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-82.8	128.3	-175.5	-159.8	179.9	-167.9	147.8	5.3	111.2	Y1886 E1887	R1884-Y1886 PolarHBondContact O-N 2.71Å; R1884-E1887 HydrophobicContact CB-CB 4.45Å; R1884-E1887 VanDerWaalsContact CB-OE1 3.23Å; R1884-E1887 WeakPolarHBondContact CB-OE1 3.08Å; R1884-E1887 WeakPolarHBondContact CB-OE2 3.43Å; R1884-E1887 WeakPolarHBondContact CD-OE1 3.45Å; R1884-E1887 PolarHBondContact O-N 3.21Å
1885	P	93.8	Very high	90.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	130	173.7	-29.5	37	0	0	0	112.1	K1850 W1851 I1873 W1876 E1877 H1883 E1887 L1904	K1850-P1885 VanDerWaalsContact CD-O 3.27Å; K1850-P1885 WeakPolarHBondContact CD-O 3.46Å; K1850-P1885 WeakPolarHBondContact CE-O 3.29Å; K1850-P1885 PolarHBondContact NZ-O 2.82Å; W1851-P1885 HydrophobicContact CZ2-CG 4.07Å; I1873-P1885 HydrophobicContact CG2-CB 3.79Å; I1873-P1885 HydrophobicContact CG2-CG 3.44Å; I1873-P1885 VanDerWaalsContact CG2-CG 3.44Å; W1876-P1885 HydrophobicContact CE3-CG 4.47Å; E1877-P1885 HydrophobicContact CG-CG 3.81Å; H1883-P1885 WeakPolarHBondContact O-CD 3.34Å; P1885-E1887 PolarHBondContact O-N 3.05Å; P1885-E1887 VanDerWaalsContact O-N 3.1Å; P1885-L1904 HydrophobicContact CB-CD1 4.32Å; P1885-L1904 HydrophobicContact CB-CD2 4.48Å
1886	Y	92.9	Very high	89.9	Confident	14 Å²	14	54.4 Å²	54.4	6%	0.055	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.8	178.6	-49.6	-82	0	0	0	113.7	K1850 I1873 R1884 N1888 I1889 L1894 F1897 L1898 L1904	K1850-Y1886 WeakPolarHBondContact CE-O 3.49Å; K1850-Y1886 PolarHBondContact NZ-O 2.71Å; I1873-Y1886 HydrophobicContact CD1-CE2 3.91Å; R1884-Y1886 PolarHBondContact O-N 2.71Å; Y1886-N1888 VanDerWaalsContact C-N 3.33Å; Y1886-N1888 PolarHBondContact O-N 2.91Å; Y1886-I1889 HydrophobicContact CD1-CD1 4.2Å; Y1886-I1889 PolarHBondContact O-N 2.82Å; Y1886-L1894 HydrophobicContact CD1-CD1 3.71Å; Y1886-L1894 HydrophobicContact CD2-CD1 3.83Å; Y1886-L1894 HydrophobicContact CD2-CD2 4.19Å; Y1886-L1894 HydrophobicContact CE1-CD1 4.09Å; Y1886-L1894 HydrophobicContact CE2-CD1 4.2Å; Y1886-L1894 HydrophobicContact CG-CD1 3.58Å; Y1886-F1897 HydrophobicContact CD1-CD1 4.38Å; Y1886-F1897 HydrophobicContact CD1-CE1 4.12Å; Y1886-F1897 HydrophobicContact CE1-CD1 4.43Å; Y1886-F1897 HydrophobicContact CE1-CE1 4.18Å; Y1886-L1898 HydrophobicContact CE1-CD2 4.03Å; Y1886-L1898 WeakPolarHBondContact OH-CD2 2.99Å; Y1886-L1904 HydrophobicContact CD1-CD2 3.48Å; Y1886-L1904 VanDerWaalsContact CD1-CD2 3.48Å; Y1886-L1904 HydrophobicContact CD1-CG 4.21Å; Y1886-L1904 HydrophobicContact CD2-CD2 3.84Å; Y1886-L1904 HydrophobicContact CD2-CG 4.44Å; Y1886-L1904 HydrophobicContact CE1-CD2 3.53Å; Y1886-L1904 HydrophobicContact CE1-CG 3.72Å; Y1886-L1904 HydrophobicContact CE2-CD1 4.27Å; Y1886-L1904 HydrophobicContact CE2-CD2 3.88Å; Y1886-L1904 HydrophobicContact CE2-CG 3.98Å; Y1886-L1904 HydrophobicContact CG-CD2 3.63Å; Y1886-L1904 VanDerWaalsContact N-CD2 3.28Å
1887	E	85.6	Confident	89.7	Confident	106 Å²	106	56.7 Å²	56.7	50%	0.495	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-26.9	-64.8	-173.1	-167	86.5	-103.8	0	0	113.1	K1850 R1884 P1885 I1889	K1850-E1887 PolarHBondContact NZ-O 3.23Å; R1884-E1887 HydrophobicContact CB-CB 4.45Å; R1884-E1887 VanDerWaalsContact CB-OE1 3.23Å; R1884-E1887 WeakPolarHBondContact CB-OE1 3.08Å; R1884-E1887 WeakPolarHBondContact CB-OE2 3.43Å; R1884-E1887 WeakPolarHBondContact CD-OE1 3.45Å; R1884-E1887 PolarHBondContact O-N 3.21Å; P1885-E1887 PolarHBondContact O-N 3.05Å; P1885-E1887 VanDerWaalsContact O-N 3.1Å; E1887-I1889 VanDerWaalsContact C-N 3.29Å; E1887-I1889 PolarHBondContact O-N 3.01Å
1888	N	86.8	Confident	89.6	Confident	156 Å²	156	56.6 Å²	56.6	83%	0.834	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.1	-173.1	-58.1	-17.5	0	0	0	115.4	Y1886	Y1886-N1888 VanDerWaalsContact C-N 3.33Å; Y1886-N1888 PolarHBondContact O-N 2.91Å
1889	I	88.3	Confident	89.3	Confident	36 Å²	36	61.8 Å²	61.8	19%	0.185	30%	0.298	C	S	.	.	S	Bend	trans	-101.9	118.6	179.1	-49.5	-176.4	0	0	0	109.6	K1850 Y1886 E1887 N1893 L1894 F1897	K1850-I1889 WeakPolarHBondContact CE-O 3.4Å; K1850-I1889 PolarHBondContact NZ-O 2.76Å; Y1886-I1889 HydrophobicContact CD1-CD1 4.2Å; Y1886-I1889 PolarHBondContact O-N 2.82Å; E1887-I1889 VanDerWaalsContact C-N 3.29Å; E1887-I1889 PolarHBondContact O-N 3.01Å; I1889-N1893 HydrophobicContact CG2-CB 4.42Å; I1889-L1894 HydrophobicContact CG2-CB 4.43Å; I1889-L1894 HydrophobicContact CG2-CD1 4.28Å; I1889-F1897 HydrophobicContact CD1-CB 4.44Å; I1889-F1897 HydrophobicContact CD1-CD1 3.48Å; I1889-F1897 VanDerWaalsContact CD1-CD1 3.48Å; I1889-F1897 HydrophobicContact CD1-CD2 3.76Å; I1889-F1897 HydrophobicContact CD1-CE1 3.45Å; I1889-F1897 VanDerWaalsContact CD1-CE1 3.45Å; I1889-F1897 HydrophobicContact CD1-CE2 3.73Å; I1889-F1897 HydrophobicContact CD1-CG 3.63Å; I1889-F1897 HydrophobicContact CD1-CZ 3.57Å
1890	H	83.3	Confident	89.2	Confident	137 Å²	137	69.1 Å²	69.1	63%	0.634	33%	0.33	S	S	*	.			trans	-64.5	135.9	171.9	-63.9	-45.7	0	0	0	110.8	K1892 N1893 L1894	H1890-K1892 HydrophobicContact CB-CG 4.27Å; H1890-K1892 PolarHBondContact O-N 3.05Å; H1890-N1893 PolarHBondContact O-N 2.77Å; H1890-L1894 PolarHBondContact O-N 2.89Å
1891	A	80.5	Confident	89	Confident	40 Å²	40	70.7 Å²	70.7	33%	0.331	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-53.8	-28.4	-174.6	0	0	0	0	0	114.9	I1849 N1893 L1894	I1849-A1891 HydrophobicContact CB-CB 4.17Å; I1849-A1891 HydrophobicContact CD1-CB 4.09Å; I1849-A1891 HydrophobicContact CG2-CB 3.94Å; A1891-N1893 VanDerWaalsContact C-N 3.34Å; A1891-L1894 PolarHBondContact O-N 3.4Å
1892	K	82.9	Confident	89.1	Confident	164 Å²	164	73 Å²	73	71%	0.713	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-74	-15.7	176.1	60.4	128.2	-175.1	150.1	0	115.4	H1890	H1890-K1892 HydrophobicContact CB-CG 4.27Å; H1890-K1892 PolarHBondContact O-N 3.05Å
1893	N	90.9	Very high	89.3	Confident	67 Å²	67	75 Å²	75	36%	0.358	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-107.1	0.3	176	-66.9	35.1	0	0	0	111.4	I1889 H1890 A1891 F1897	I1889-N1893 HydrophobicContact CG2-CB 4.42Å; H1890-N1893 PolarHBondContact O-N 2.77Å; A1891-N1893 VanDerWaalsContact C-N 3.34Å; N1893-F1897 PolarHBondContact O-N 2.94Å
1894	L	89.5	Confident	89.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-71.4	-33.5	-173.4	-177.9	62	0	0	0	111.8	I1849 K1850 Y1886 I1889 H1890 A1891 F1897 L1898	I1849-L1894 HydrophobicContact CG2-CD2 4.18Å; K1850-L1894 HydrophobicContact CG-CD2 4.14Å; Y1886-L1894 HydrophobicContact CD1-CD1 3.71Å; Y1886-L1894 HydrophobicContact CD2-CD1 3.83Å; Y1886-L1894 HydrophobicContact CD2-CD2 4.19Å; Y1886-L1894 HydrophobicContact CE1-CD1 4.09Å; Y1886-L1894 HydrophobicContact CE2-CD1 4.2Å; Y1886-L1894 HydrophobicContact CG-CD1 3.58Å; I1889-L1894 HydrophobicContact CG2-CB 4.43Å; I1889-L1894 HydrophobicContact CG2-CD1 4.28Å; H1890-L1894 PolarHBondContact O-N 2.89Å; A1891-L1894 PolarHBondContact O-N 3.4Å; L1894-F1897 HydrophobicContact CD1-CD1 4.46Å; L1894-F1897 PolarHBondContact O-N 3.27Å; L1894-L1898 HydrophobicContact CD1-CD1 4.29Å; L1894-L1898 HydrophobicContact CD1-CG 4.18Å; L1894-L1898 HydrophobicContact CD2-CD1 4.47Å; L1894-L1898 HydrophobicContact CG-CD1 3.94Å; L1894-L1898 HydrophobicContact CG-CG 4.27Å; L1894-L1898 VanDerWaalsContact O-CG 3.27Å; L1894-L1898 WeakPolarHBondContact O-CG 3.03Å; L1894-L1898 PolarHBondContact O-N 3.28Å
1895	L	91.3	Very high	89.7	Confident	37 Å²	37	67.7 Å²	67.7	19%	0.194	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-56.7	178.5	178.8	58.4	0	0	0	110.9	I1854 I1857 Q1858 F1897 L1898 E1899	I1854-L1895 HydrophobicContact CG2-CD1 4.09Å; I1857-L1895 HydrophobicContact CG2-CB 4.06Å; I1857-L1895 HydrophobicContact CG2-CD1 4.28Å; I1857-L1895 HydrophobicContact CG2-CD2 4.4Å; I1857-L1895 HydrophobicContact CG2-CG 4.48Å; Q1858-L1895 HydrophobicContact CG-CD1 3.58Å; Q1858-L1895 HydrophobicContact CG-CD2 3.56Å; Q1858-L1895 HydrophobicContact CG-CG 4.2Å; L1895-F1897 PolarHBondContact O-N 3.01Å; L1895-L1898 PolarHBondContact O-N 2.69Å; L1895-E1899 HydrophobicContact CD1-CG 3.86Å; L1895-E1899 HydrophobicContact CG-CG 4.29Å; L1895-E1899 WeakPolarHBondContact CG-OE2 3.45Å; L1895-E1899 PolarHBondContact O-N 2.78Å
1896	D	89.5	Confident	89.7	Confident	78 Å²	78	71.7 Å²	71.7	42%	0.417	37%	0.368	S	S	.	.	H	α-helix	trans	-52.2	-35.6	178.2	-40	20.4	0	0	0	112.1	K1900	D1896-K1900 WeakPolarHBondContact O-CB 3.22Å; D1896-K1900 VanDerWaalsContact O-CD 3.22Å; D1896-K1900 WeakPolarHBondContact O-CD 3.35Å; D1896-K1900 WeakPolarHBondContact O-CG 3.22Å; D1896-K1900 PolarHBondContact O-N 3.15Å
1897	F	92.4	Very high	89.7	Confident	65 Å²	65	71.3 Å²	71.3	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-71.1	-42.9	179	-176.4	-99.7	0	0	0	111.8	Y1886 I1889 N1893 L1894 L1895 N1902	Y1886-F1897 HydrophobicContact CD1-CD1 4.38Å; Y1886-F1897 HydrophobicContact CD1-CE1 4.12Å; Y1886-F1897 HydrophobicContact CE1-CD1 4.43Å; Y1886-F1897 HydrophobicContact CE1-CE1 4.18Å; I1889-F1897 HydrophobicContact CD1-CB 4.44Å; I1889-F1897 HydrophobicContact CD1-CD1 3.48Å; I1889-F1897 VanDerWaalsContact CD1-CD1 3.48Å; I1889-F1897 HydrophobicContact CD1-CD2 3.76Å; I1889-F1897 HydrophobicContact CD1-CE1 3.45Å; I1889-F1897 VanDerWaalsContact CD1-CE1 3.45Å; I1889-F1897 HydrophobicContact CD1-CE2 3.73Å; I1889-F1897 HydrophobicContact CD1-CG 3.63Å; I1889-F1897 HydrophobicContact CD1-CZ 3.57Å; N1893-F1897 PolarHBondContact O-N 2.94Å; L1894-F1897 HydrophobicContact CD1-CD1 4.46Å; L1894-F1897 PolarHBondContact O-N 3.27Å; L1895-F1897 PolarHBondContact O-N 3.01Å; F1897-N1902 HydrophobicContact CD1-CB 3.77Å; F1897-N1902 HydrophobicContact CD2-CB 4.02Å; F1897-N1902 HydrophobicContact CE1-CB 3.4Å; F1897-N1902 VanDerWaalsContact CE1-CB 3.4Å; F1897-N1902 HydrophobicContact CE2-CB 3.68Å; F1897-N1902 HydrophobicContact CG-CB 4.07Å; F1897-N1902 HydrophobicContact CZ-CB 3.36Å; F1897-N1902 WeakPolarHBondContact O-CB 3.4Å; F1897-N1902 PolarHBondContact O-N 3.46Å; F1897-N1902 PolarHBondContact O-ND2 3.06Å
1898	L	93.7	Very high	89.7	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-73	-36.8	178.5	-67.8	175.4	0	0	0	113	I1854 I1857 W1869 Y1886 L1894 L1895 K1900 G1901 N1902 R1903	I1854-L1898 HydrophobicContact CD1-CB 4Å; I1854-L1898 HydrophobicContact CG1-CB 3.97Å; I1854-L1898 HydrophobicContact CG1-CD1 4.26Å; I1857-L1898 HydrophobicContact CD1-CD1 4.26Å; W1869-L1898 HydrophobicContact CH2-CD1 4.38Å; W1869-L1898 HydrophobicContact CH2-CD2 4.15Å; W1869-L1898 HydrophobicContact CZ2-CD1 3.81Å; W1869-L1898 HydrophobicContact CZ2-CD2 3.82Å; W1869-L1898 HydrophobicContact CZ2-CG 4.37Å; Y1886-L1898 HydrophobicContact CE1-CD2 4.03Å; Y1886-L1898 WeakPolarHBondContact OH-CD2 2.99Å; L1894-L1898 HydrophobicContact CD1-CD1 4.29Å; L1894-L1898 HydrophobicContact CD1-CG 4.18Å; L1894-L1898 HydrophobicContact CD2-CD1 4.47Å; L1894-L1898 HydrophobicContact CG-CD1 3.94Å; L1894-L1898 HydrophobicContact CG-CG 4.27Å; L1894-L1898 VanDerWaalsContact O-CG 3.27Å; L1894-L1898 WeakPolarHBondContact O-CG 3.03Å; L1894-L1898 PolarHBondContact O-N 3.28Å; L1895-L1898 PolarHBondContact O-N 2.69Å; L1898-K1900 VanDerWaalsContact C-N 3.34Å; L1898-G1901 PolarHBondContact O-N 3.16Å; L1898-G1901 VanDerWaalsContact O-N 3.11Å; L1898-N1902 WeakPolarHBondContact CD2-O 3.35Å; L1898-R1903 PolarHBondContact O-NH1 3.38Å
1899	E	90.1	Very high	89.7	Confident	109 Å²	109	66 Å²	66	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-36.2	175.6	-71.2	-169.9	101.5	0	0	111.9	Q1858 L1895 G1901	Q1858-E1899 PolarHBondContact NE2-OE1 3.45Å; L1895-E1899 HydrophobicContact CD1-CG 3.86Å; L1895-E1899 HydrophobicContact CG-CG 4.29Å; L1895-E1899 WeakPolarHBondContact CG-OE2 3.45Å; L1895-E1899 PolarHBondContact O-N 2.78Å; E1899-G1901 PolarHBondContact O-N 2.84Å
1900	K	89.2	Confident	89.8	Confident	157 Å²	157	64.4 Å²	64.4	68%	0.683	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	14.4	169.7	-69.9	168.1	-169.4	168.1	0	114	D1896 L1898 N1902	D1896-K1900 WeakPolarHBondContact O-CB 3.22Å; D1896-K1900 VanDerWaalsContact O-CD 3.22Å; D1896-K1900 WeakPolarHBondContact O-CD 3.35Å; D1896-K1900 WeakPolarHBondContact O-CG 3.22Å; D1896-K1900 PolarHBondContact O-N 3.15Å; L1898-K1900 VanDerWaalsContact C-N 3.34Å; K1900-N1902 VanDerWaalsContact C-N 3.25Å; K1900-N1902 WeakPolarHBondContact CB-ND2 3.41Å; K1900-N1902 PolarHBondContact O-N 3.36Å; K1900-N1902 PolarHBondContact O-ND2 3.03Å
1901	G	88.9	Confident	90.1	Very high	51 Å²	51	58.6 Å²	58.6	53%	0.526	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-8.9	175.8	0	0	0	0	0	115.8	L1898 E1899 R1903	L1898-G1901 PolarHBondContact O-N 3.16Å; L1898-G1901 VanDerWaalsContact O-N 3.11Å; E1899-G1901 PolarHBondContact O-N 2.84Å; G1901-R1903 PolarHBondContact O-NH1 3.1Å
1902	N	92.1	Very high	90.4	Very high	67 Å²	67	61.6 Å²	61.6	36%	0.358	32%	0.315	S	S	.	.			trans	-67.6	149.2	-177.1	-50.4	-83.8	0	0	0	111.6	F1897 L1898 K1900	F1897-N1902 HydrophobicContact CD1-CB 3.77Å; F1897-N1902 HydrophobicContact CD2-CB 4.02Å; F1897-N1902 HydrophobicContact CE1-CB 3.4Å; F1897-N1902 VanDerWaalsContact CE1-CB 3.4Å; F1897-N1902 HydrophobicContact CE2-CB 3.68Å; F1897-N1902 HydrophobicContact CG-CB 4.07Å; F1897-N1902 HydrophobicContact CZ-CB 3.36Å; F1897-N1902 WeakPolarHBondContact O-CB 3.4Å; F1897-N1902 PolarHBondContact O-N 3.46Å; F1897-N1902 PolarHBondContact O-ND2 3.06Å; L1898-N1902 WeakPolarHBondContact CD2-O 3.35Å; K1900-N1902 VanDerWaalsContact C-N 3.25Å; K1900-N1902 WeakPolarHBondContact CB-ND2 3.41Å; K1900-N1902 PolarHBondContact O-N 3.36Å; K1900-N1902 PolarHBondContact O-ND2 3.03Å
1903	R	94.3	Very high	90.7	Very high	43 Å²	43	57 Å²	57	16%	0.162	30%	0.298	C	S	.	.			trans	-137.6	178.4	-179.4	-62.7	-61.7	-179.4	-96.4	6.1	110.3	L1898 G1901 L1919 W1922	L1898-R1903 PolarHBondContact O-NH1 3.38Å; G1901-R1903 PolarHBondContact O-NH1 3.1Å; R1903-L1919 HydrophobicContact CB-CD2 4.22Å; R1903-L1919 HydrophobicContact CG-CD2 4.18Å; R1903-W1922 HydrophobicContact CB-CE3 3.98Å; R1903-W1922 HydrophobicContact CB-CZ3 4.38Å; R1903-W1922 HydrophobicContact CG-CB 4.45Å; R1903-W1922 HydrophobicContact CG-CE3 4.32Å; R1903-W1922 PolarHBondContact NE-O 2.91Å; R1903-W1922 PolarHBondContact NH2-O 2.02Å
1904	L	95.2	Very high	90.8	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.8	141	169.6	-64.6	172	0	0	0	110	I1873 W1876 P1885 Y1886 Y1915 W1922	I1873-L1904 HydrophobicContact CD1-CD1 3.58Å; I1873-L1904 HydrophobicContact CD1-CG 4.4Å; I1873-L1904 HydrophobicContact CG2-CD1 4.39Å; W1876-L1904 HydrophobicContact CB-CD1 4.04Å; W1876-L1904 HydrophobicContact CD2-CB 4.24Å; W1876-L1904 HydrophobicContact CD2-CD1 3.62Å; W1876-L1904 HydrophobicContact CD2-CG 4.37Å; W1876-L1904 HydrophobicContact CE3-CD1 3.91Å; W1876-L1904 HydrophobicContact CG-CB 4.18Å; W1876-L1904 HydrophobicContact CG-CD1 3.67Å; W1876-L1904 HydrophobicContact CZ2-CB 4.43Å; W1876-L1904 HydrophobicContact CZ2-CD2 4.36Å; P1885-L1904 HydrophobicContact CB-CD1 4.32Å; P1885-L1904 HydrophobicContact CB-CD2 4.48Å; Y1886-L1904 HydrophobicContact CD1-CD2 3.48Å; Y1886-L1904 VanDerWaalsContact CD1-CD2 3.48Å; Y1886-L1904 HydrophobicContact CD1-CG 4.21Å; Y1886-L1904 HydrophobicContact CD2-CD2 3.84Å; Y1886-L1904 HydrophobicContact CD2-CG 4.44Å; Y1886-L1904 HydrophobicContact CE1-CD2 3.53Å; Y1886-L1904 HydrophobicContact CE1-CG 3.72Å; Y1886-L1904 HydrophobicContact CE2-CD1 4.27Å; Y1886-L1904 HydrophobicContact CE2-CD2 3.88Å; Y1886-L1904 HydrophobicContact CE2-CG 3.98Å; Y1886-L1904 HydrophobicContact CG-CD2 3.63Å; Y1886-L1904 VanDerWaalsContact N-CD2 3.28Å; L1904-Y1915 WeakPolarHBondContact O-CE2 3.27Å; L1904-Y1915 PolarHBondContact O-OH 3.25Å; L1904-W1922 HydrophobicContact CB-CH2 3.82Å; L1904-W1922 HydrophobicContact CB-CZ3 4.11Å; L1904-W1922 HydrophobicContact CD1-CH2 4.05Å; L1904-W1922 HydrophobicContact CD1-CZ2 3.97Å; L1904-W1922 HydrophobicContact CG-CH2 4.36Å
1905	P	92.7	Very high	91.1	Very high	89 Å²	89	55.2 Å²	55.2	58%	0.578	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-66.7	158.4	178.6	29.8	-36	0	0	0	111.5	W1876 P1907	W1876-P1905 HydrophobicContact CZ2-CG 4.46Å; W1876-P1905 PolarHBondContact NE1-O 3.11Å; P1905-P1907 WeakPolarHBondContact O-CD 3.36Å
1906	Q	94.1	Very high	91.2	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-60.1	124	175	-177.6	170.7	-19.6	0	0	111	T1910 Y1915	Q1906-T1910 VanDerWaalsContact CG-OG1 3.27Å; Q1906-T1910 WeakPolarHBondContact CG-OG1 3.47Å; Q1906-T1910 PolarHBondContact NE2-O 2.71Å; Q1906-Y1915 HydrophobicContact CB-CD1 3.72Å; Q1906-Y1915 HydrophobicContact CB-CD2 3.99Å; Q1906-Y1915 HydrophobicContact CB-CE1 3.82Å; Q1906-Y1915 HydrophobicContact CB-CE2 4.08Å; Q1906-Y1915 HydrophobicContact CB-CG 3.81Å; Q1906-Y1915 HydrophobicContact CG-CD1 3.92Å; Q1906-Y1915 HydrophobicContact CG-CD2 4.18Å; Q1906-Y1915 HydrophobicContact CG-CG 3.73Å
1907	P	91.6	Very high	91.4	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.039	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-62.4	137.7	170.9	-22.3	32.9	0	0	0	111.5	W1876 C1879 T1880 P1905 T1909 T1910 M1918	W1876-P1907 VanDerWaalsContact CD1-CG 3.47Å; W1876-P1907 HydrophobicContact CG-CG 4.2Å; C1879-P1907 HydrophobicContact CB-CB 3.92Å; C1879-P1907 HydrophobicContact CB-CG 3.95Å; T1880-P1907 HydrophobicContact CG2-CB 3.8Å; T1880-P1907 HydrophobicContact CG2-CG 3.88Å; P1905-P1907 WeakPolarHBondContact O-CD 3.36Å; P1907-T1909 PolarHBondContact O-N 3.38Å; P1907-T1910 HydrophobicContact CB-CG2 3.8Å; P1907-T1910 WeakPolarHBondContact CD-OG1 3.48Å; P1907-T1910 HydrophobicContact CG-CG2 3.93Å; P1907-T1910 PolarHBondContact O-N 2.92Å; P1907-T1910 PolarHBondContact O-OG1 3.15Å; P1907-M1918 HydrophobicContact CG-CE 4.28Å
1908	E	86.6	Confident	91.6	Very high	148 Å²	148	49.3 Å²	49.3	69%	0.692	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.6	177.9	-65	-178.6	-172.3	0	0	113.5	T1910 F1951 L1956	E1908-T1910 VanDerWaalsContact C-N 3.31Å; E1908-F1951 WeakPolarHBondContact O-CE2 3.4Å; E1908-F1951 WeakPolarHBondContact O-CZ 3.47Å; E1908-L1956 HydrophobicContact CB-CD1 4.15Å; E1908-L1956 HydrophobicContact CB-CD2 4.32Å
1909	T	87.5	Confident	91.7	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.4	174.2	53	0	0	0	0	114.4	C1879 F1881 P1907 L1950 F1951 L1956	C1879-T1909 WeakPolarHBondContact O-CG2 3.25Å; C1879-T1909 PolarHBondContact O-OG1 2.9Å; F1881-T1909 HydrophobicContact CE2-CG2 3.66Å; F1881-T1909 HydrophobicContact CZ-CG2 4.01Å; P1907-T1909 PolarHBondContact O-N 3.38Å; T1909-L1950 CarbonylContact O-C 3.58Å; T1909-L1950 VanDerWaalsContact O-CA 3.26Å; T1909-L1950 WeakPolarHBondContact O-CA 3.46Å; T1909-F1951 CarbonylContact C-O 3.44Å; T1909-F1951 WeakPolarHBondContact CA-O 3.35Å; T1909-F1951 VanDerWaalsContact CB-O 3.28Å; T1909-F1951 WeakPolarHBondContact CB-O 3.34Å; T1909-F1951 PolarHBondContact O-N 2.83Å; T1909-L1956 HydrophobicContact CG2-CD1 3.87Å
1910	T	88.8	Confident	92	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-115.9	140.4	-170.5	64.2	0	0	0	0	112.8	C1879 Q1906 P1907 E1908 F1914 M1918 L1950	C1879-T1910 HydrophobicContact CB-CG2 3.72Å; Q1906-T1910 VanDerWaalsContact CG-OG1 3.27Å; Q1906-T1910 WeakPolarHBondContact CG-OG1 3.47Å; Q1906-T1910 PolarHBondContact NE2-O 2.71Å; P1907-T1910 HydrophobicContact CB-CG2 3.8Å; P1907-T1910 WeakPolarHBondContact CD-OG1 3.48Å; P1907-T1910 HydrophobicContact CG-CG2 3.93Å; P1907-T1910 PolarHBondContact O-N 2.92Å; P1907-T1910 PolarHBondContact O-OG1 3.15Å; E1908-T1910 VanDerWaalsContact C-N 3.31Å; T1910-F1914 HydrophobicContact CG2-CD1 3.95Å; T1910-F1914 HydrophobicContact CG2-CE1 4.49Å; T1910-M1918 HydrophobicContact CG2-CE 3.95Å; T1910-L1950 HydrophobicContact CG2-CD2 3.52Å
1911	S	90.2	Very high	92.4	Very high	15 Å²	15	43.5 Å²	43.5	11%	0.105	24%	0.238	C	C	.	.			trans	-69.4	159.5	162.3	68.5	0	0	0	0	111.5	D1913 F1914 Y1915 R1948 Y1949	S1911-D1913 VanDerWaalsContact C-N 3.27Å; S1911-D1913 PolarHBondContact O-N 2.93Å; S1911-F1914 PolarHBondContact O-N 3.48Å; S1911-F1914 WeakPolarHBondContact OG-CB 3.47Å; S1911-F1914 PolarHBondContact OG-N 2.92Å; S1911-F1914 VanDerWaalsContact OG-N 3.09Å; S1911-Y1915 WeakPolarHBondContact O-CB 3.48Å; S1911-Y1915 PolarHBondContact O-N 2.59Å; S1911-R1948 WeakPolarHBondContact CB-O 3.27Å; S1911-Y1949 VanDerWaalsContact CB-O 3.28Å; S1911-Y1949 WeakPolarHBondContact CB-O 3.12Å; S1911-Y1949 PolarHBondContact N-O 3.31Å; S1911-Y1949 VanDerWaalsContact OG-CA 3.24Å; S1911-Y1949 WeakPolarHBondContact OG-CA 3.47Å; S1911-Y1949 PolarHBondContact OG-O 2.83Å
1912	L	86.9	Confident	92.8	Very high	104 Å²	104	41.1 Å²	41.1	55%	0.545	21%	0.213	S	C	.	.	H	α-helix	trans	-57.9	-40.9	170.1	-178.5	59.5	0	0	0	111.5	F1914 Y1915 C1916	L1912-F1914 VanDerWaalsContact C-N 3.32Å; L1912-F1914 PolarHBondContact O-N 2.94Å; L1912-Y1915 HydrophobicContact CD1-CD1 4.28Å; L1912-Y1915 CarbonylContact O-C 3.18Å; L1912-Y1915 PolarHBondContact O-N 3.22Å; L1912-C1916 WeakPolarHBondContact O-CB 3.38Å; L1912-C1916 PolarHBondContact O-N 2.93Å; L1912-C1916 PolarHBondContact O-SG 3.48Å
1913	D	88.7	Confident	92.9	Very high	68 Å²	68	41.5 Å²	41.5	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-57.3	-41.5	178.3	-70.5	-18.1	0	0	0	112.3	S1911 L1917 R1948 Y1949	S1911-D1913 VanDerWaalsContact C-N 3.27Å; S1911-D1913 PolarHBondContact O-N 2.93Å; D1913-L1917 PolarHBondContact O-N 2.94Å; D1913-R1948 IonicContact OD2-CZ 3.93Å; D1913-R1948 IonicContact OD2-NE 3.56Å; D1913-R1948 PolarHBondContact OD2-NE 3.06Å; D1913-R1948 IonicContact OD2-NH2 2.97Å; D1913-R1948 PolarHBondContact OD2-NH2 3.44Å; D1913-Y1949 HydrophobicContact CB-CD1 3.59Å; D1913-Y1949 HydrophobicContact CB-CE1 3.46Å; D1913-Y1949 VanDerWaalsContact CB-CE1 3.46Å; D1913-Y1949 WeakPolarHBondContact OD2-CE1 3.49Å
1914	F	93.3	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-77.5	-35.9	178.4	-167.2	-88.2	0	0	0	112.1	F1786 T1910 S1911 L1912 C1916 L1917 M1918 L1939 M1942 Y1949 L1950	F1786-F1914 HydrophobicContact CD1-CE2 4.39Å; F1786-F1914 AromaticContact CE1-CD2 3.98Å; F1786-F1914 HydrophobicContact CE1-CD2 3.98Å; F1786-F1914 AromaticContact CE1-CE2 3.55Å; F1786-F1914 HydrophobicContact CE1-CE2 3.55Å; F1786-F1914 AromaticContact CZ-CD2 3.74Å; F1786-F1914 HydrophobicContact CZ-CD2 3.74Å; F1786-F1914 AromaticContact CZ-CE2 3.64Å; F1786-F1914 HydrophobicContact CZ-CE2 3.64Å; T1910-F1914 HydrophobicContact CG2-CD1 3.95Å; T1910-F1914 HydrophobicContact CG2-CE1 4.49Å; S1911-F1914 PolarHBondContact O-N 3.48Å; S1911-F1914 WeakPolarHBondContact OG-CB 3.47Å; S1911-F1914 PolarHBondContact OG-N 2.92Å; S1911-F1914 VanDerWaalsContact OG-N 3.09Å; L1912-F1914 VanDerWaalsContact C-N 3.32Å; L1912-F1914 PolarHBondContact O-N 2.94Å; F1914-C1916 VanDerWaalsContact C-N 3.33Å; F1914-L1917 VanDerWaalsContact O-CB 3.29Å; F1914-L1917 WeakPolarHBondContact O-CB 3.24Å; F1914-L1917 PolarHBondContact O-N 3.06Å; F1914-L1917 VanDerWaalsContact O-N 3.16Å; F1914-M1918 HydrophobicContact CD1-CE 3.86Å; F1914-M1918 HydrophobicContact CE1-CE 3.65Å; F1914-M1918 PolarHBondContact O-N 3.49Å; F1914-L1939 HydrophobicContact CD2-CD2 4.49Å; F1914-L1939 HydrophobicContact CE2-CD2 3.56Å; F1914-L1939 HydrophobicContact CZ-CD2 4.09Å; F1914-M1942 HydrophobicContact CD2-SD 3.75Å; F1914-M1942 HydrophobicContact CE2-SD 4.42Å; F1914-Y1949 WeakPolarHBondContact CB-O 3.07Å; F1914-L1950 HydrophobicContact CD1-CD2 3.66Å; F1914-L1950 HydrophobicContact CD1-CG 4.38Å; F1914-L1950 HydrophobicContact CD2-CD2 4.37Å; F1914-L1950 HydrophobicContact CD2-CG 4.25Å; F1914-L1950 HydrophobicContact CE1-CD1 4.48Å; F1914-L1950 HydrophobicContact CE1-CD2 3.8Å; F1914-L1950 HydrophobicContact CE1-CG 4.4Å; F1914-L1950 HydrophobicContact CE2-CD1 4.24Å; F1914-L1950 HydrophobicContact CE2-CD2 4.48Å; F1914-L1950 HydrophobicContact CE2-CG 4.26Å; F1914-L1950 HydrophobicContact CG-CD2 3.97Å; F1914-L1950 HydrophobicContact CG-CG 4.31Å; F1914-L1950 HydrophobicContact CZ-CD1 4.12Å; F1914-L1950 HydrophobicContact CZ-CD2 4.22Å; F1914-L1950 HydrophobicContact CZ-CG 4.34Å
1915	Y	95.7	Very high	92.4	Very high	30 Å²	30	45.3 Å²	45.3	12%	0.118	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-32.9	172.7	179.3	-119.9	0	0	0	112.4	L1904 Q1906 S1911 L1912 L1917 M1918 L1919 W1922	L1904-Y1915 WeakPolarHBondContact O-CE2 3.27Å; L1904-Y1915 PolarHBondContact O-OH 3.25Å; Q1906-Y1915 HydrophobicContact CB-CD1 3.72Å; Q1906-Y1915 HydrophobicContact CB-CD2 3.99Å; Q1906-Y1915 HydrophobicContact CB-CE1 3.82Å; Q1906-Y1915 HydrophobicContact CB-CE2 4.08Å; Q1906-Y1915 HydrophobicContact CB-CG 3.81Å; Q1906-Y1915 HydrophobicContact CG-CD1 3.92Å; Q1906-Y1915 HydrophobicContact CG-CD2 4.18Å; Q1906-Y1915 HydrophobicContact CG-CG 3.73Å; S1911-Y1915 WeakPolarHBondContact O-CB 3.48Å; S1911-Y1915 PolarHBondContact O-N 2.59Å; L1912-Y1915 HydrophobicContact CD1-CD1 4.28Å; L1912-Y1915 CarbonylContact O-C 3.18Å; L1912-Y1915 PolarHBondContact O-N 3.22Å; Y1915-L1917 PolarHBondContact O-N 2.99Å; Y1915-M1918 HydrophobicContact CD2-CB 4.39Å; Y1915-M1918 HydrophobicContact CD2-SD 4.19Å; Y1915-M1918 CarbonylContact O-C 3.54Å; Y1915-M1918 WeakPolarHBondContact O-CA 3.49Å; Y1915-M1918 WeakPolarHBondContact O-CB 3.47Å; Y1915-M1918 PolarHBondContact O-N 2.86Å; Y1915-L1919 HydrophobicContact CD1-CD1 3.87Å; Y1915-L1919 HydrophobicContact CD1-CG 4.31Å; Y1915-L1919 HydrophobicContact CE1-CD1 3.62Å; Y1915-L1919 HydrophobicContact CE1-CD2 4.26Å; Y1915-L1919 HydrophobicContact CE1-CG 3.99Å; Y1915-L1919 HydrophobicContact CE2-CD2 4.49Å; Y1915-L1919 HydrophobicContact CE2-CG 4.39Å; Y1915-L1919 WeakPolarHBondContact O-CG 3.4Å; Y1915-L1919 PolarHBondContact O-N 3.32Å; Y1915-W1922 HydrophobicContact CE2-CZ3 4.04Å
1916	C	92.8	Very high	92.4	Very high	49 Å²	49	42.6 Å²	42.6	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-60.6	-33.1	169.9	-76.4	0	0	0	0	112.3	L1912 F1914 L1919 Q1920	L1912-C1916 WeakPolarHBondContact O-CB 3.38Å; L1912-C1916 PolarHBondContact O-N 2.93Å; L1912-C1916 PolarHBondContact O-SG 3.48Å; F1914-C1916 VanDerWaalsContact C-N 3.33Å; C1916-L1919 PolarHBondContact O-N 3.23Å; C1916-Q1920 WeakPolarHBondContact O-CB 3.27Å; C1916-Q1920 VanDerWaalsContact O-CG 3.27Å; C1916-Q1920 WeakPolarHBondContact O-CG 3.41Å; C1916-Q1920 PolarHBondContact O-N 3.06Å
1917	L	94.7	Very high	92.2	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.037	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-38	171.9	-162.8	71.4	0	0	0	111.6	D1913 F1914 Y1915 Q1920 C1921 L1935 A1938 L1939 M1942	D1913-L1917 PolarHBondContact O-N 2.94Å; F1914-L1917 VanDerWaalsContact O-CB 3.29Å; F1914-L1917 WeakPolarHBondContact O-CB 3.24Å; F1914-L1917 PolarHBondContact O-N 3.06Å; F1914-L1917 VanDerWaalsContact O-N 3.16Å; Y1915-L1917 PolarHBondContact O-N 2.99Å; L1917-Q1920 PolarHBondContact O-N 3.39Å; L1917-C1921 PolarHBondContact O-N 2.84Å; L1917-C1921 VanDerWaalsContact O-N 3.13Å; L1917-C1921 PolarHBondContact O-SG 2.92Å; L1917-C1921 VanDerWaalsContact O-SG 3.37Å; L1917-L1935 HydrophobicContact CD1-CD2 3.91Å; L1917-L1935 HydrophobicContact CD2-CD2 4.27Å; L1917-L1935 HydrophobicContact CG-CD2 3.87Å; L1917-A1938 HydrophobicContact CD1-CB 3.9Å; L1917-A1938 HydrophobicContact CD2-CB 4.47Å; L1917-L1939 HydrophobicContact CD2-CD2 3.84Å; L1917-L1939 HydrophobicContact CD2-CG 3.92Å; L1917-M1942 HydrophobicContact CB-CE 4.42Å; L1917-M1942 HydrophobicContact CD2-CE 4.4Å; L1917-M1942 HydrophobicContact CD2-SD 4.17Å
1918	M	96.9	Very high	92.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-43.8	171.5	-56.4	-173.9	-173.4	0	0	111.9	L1875 W1876 C1879 P1907 T1910 F1914 Y1915 Q1920 C1921 W1922	L1875-M1918 HydrophobicContact CB-CE 4.06Å; L1875-M1918 HydrophobicContact CB-CG 4.45Å; W1876-M1918 HydrophobicContact CB-SD 4.02Å; C1879-M1918 HydrophobicContact CB-CE 4.15Å; P1907-M1918 HydrophobicContact CG-CE 4.28Å; T1910-M1918 HydrophobicContact CG2-CE 3.95Å; F1914-M1918 HydrophobicContact CD1-CE 3.86Å; F1914-M1918 HydrophobicContact CE1-CE 3.65Å; F1914-M1918 PolarHBondContact O-N 3.49Å; Y1915-M1918 HydrophobicContact CD2-CB 4.39Å; Y1915-M1918 HydrophobicContact CD2-SD 4.19Å; Y1915-M1918 CarbonylContact O-C 3.54Å; Y1915-M1918 WeakPolarHBondContact O-CA 3.49Å; Y1915-M1918 WeakPolarHBondContact O-CB 3.47Å; Y1915-M1918 PolarHBondContact O-N 2.86Å; M1918-Q1920 VanDerWaalsContact C-N 3.27Å; M1918-Q1920 PolarHBondContact O-N 3.47Å; M1918-C1921 WeakPolarHBondContact O-CA 3.39Å; M1918-C1921 VanDerWaalsContact O-CB 3.28Å; M1918-C1921 WeakPolarHBondContact O-CB 3.43Å; M1918-C1921 PolarHBondContact O-N 3.42Å; M1918-W1922 HydrophobicContact CB-CE3 4.3Å; M1918-W1922 HydrophobicContact CB-CH2 3.77Å; M1918-W1922 HydrophobicContact CB-CZ2 4.13Å; M1918-W1922 HydrophobicContact CB-CZ3 3.87Å; M1918-W1922 HydrophobicContact CG-CH2 4.48Å; M1918-W1922 VanDerWaalsContact O-CD2 3.29Å; M1918-W1922 PolarHBondContact O-N 2.98Å; M1918-W1922 VanDerWaalsContact O-N 3.09Å; M1918-W1922 HydrophobicContact SD-CH2 4.03Å
1919	L	95.4	Very high	92.8	Very high	50 Å²	50	42.5 Å²	42.5	26%	0.262	23%	0.233	S	C	.	.	H	α-helix	trans	-63	-32.4	176.2	-69.9	171.7	0	0	0	112.4	R1903 Y1915 C1916 W1922 Q1923	R1903-L1919 HydrophobicContact CB-CD2 4.22Å; R1903-L1919 HydrophobicContact CG-CD2 4.18Å; Y1915-L1919 HydrophobicContact CD1-CD1 3.87Å; Y1915-L1919 HydrophobicContact CD1-CG 4.31Å; Y1915-L1919 HydrophobicContact CE1-CD1 3.62Å; Y1915-L1919 HydrophobicContact CE1-CD2 4.26Å; Y1915-L1919 HydrophobicContact CE1-CG 3.99Å; Y1915-L1919 HydrophobicContact CE2-CD2 4.49Å; Y1915-L1919 HydrophobicContact CE2-CG 4.39Å; Y1915-L1919 WeakPolarHBondContact O-CG 3.4Å; Y1915-L1919 PolarHBondContact O-N 3.32Å; C1916-L1919 PolarHBondContact O-N 3.23Å; L1919-W1922 HydrophobicContact CD2-CE3 4.21Å; L1919-W1922 CarbonylContact O-C 3.57Å; L1919-W1922 PolarHBondContact O-N 2.8Å; L1919-Q1923 PolarHBondContact O-N 3Å; L1919-Q1923 PolarHBondContact O-NE2 3.16Å
1920	Q	96	Very high	93.2	Very high	96 Å²	96	43.2 Å²	43.2	45%	0.449	24%	0.237	S	C	.	.	H	α-helix	trans	-66.3	-39.2	170.4	-76.8	172.4	5	0	0	111.8	C1916 L1917 M1918 W1922 Q1923 R1929 P1930	C1916-Q1920 WeakPolarHBondContact O-CB 3.27Å; C1916-Q1920 VanDerWaalsContact O-CG 3.27Å; C1916-Q1920 WeakPolarHBondContact O-CG 3.41Å; C1916-Q1920 PolarHBondContact O-N 3.06Å; L1917-Q1920 PolarHBondContact O-N 3.39Å; M1918-Q1920 VanDerWaalsContact C-N 3.27Å; M1918-Q1920 PolarHBondContact O-N 3.47Å; Q1920-W1922 PolarHBondContact O-N 3.15Å; Q1920-Q1923 WeakPolarHBondContact O-CG 3.39Å; Q1920-R1929 WeakPolarHBondContact O-CA 3.44Å; Q1920-P1930 HydrophobicContact CB-CG 4.22Å; Q1920-P1930 VanDerWaalsContact O-CD 3.24Å; Q1920-P1930 WeakPolarHBondContact O-CD 3.05Å
1921	C	97.6	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-27.3	170	-64.3	0	0	0	0	113.1	V1868 W1869 L1917 M1918 R1929	V1868-C1921 HydrophobicContact CG1-CB 4.06Å; V1868-C1921 WeakPolarHBondContact O-CB 3.02Å; W1869-C1921 WeakPolarHBondContact CA-O 3.45Å; L1917-C1921 PolarHBondContact O-N 2.84Å; L1917-C1921 VanDerWaalsContact O-N 3.13Å; L1917-C1921 PolarHBondContact O-SG 2.92Å; L1917-C1921 VanDerWaalsContact O-SG 3.37Å; M1918-C1921 WeakPolarHBondContact O-CA 3.39Å; M1918-C1921 VanDerWaalsContact O-CB 3.28Å; M1918-C1921 WeakPolarHBondContact O-CB 3.43Å; M1918-C1921 PolarHBondContact O-N 3.42Å; C1921-R1929 VanDerWaalsContact O-CD 3.31Å; C1921-R1929 WeakPolarHBondContact O-CD 3.48Å
1922	W	97	Very high	93.8	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	24.6	-177.1	-50.3	-40.7	0	0	0	115.2	W1869 G1872 I1873 W1876 R1903 L1904 Y1915 M1918 L1919 Q1920	W1869-W1922 HydrophobicContact CD2-CB 4.34Å; W1869-W1922 AromaticContact CD2-CD1 3.73Å; W1869-W1922 HydrophobicContact CD2-CG 4.39Å; W1869-W1922 AromaticContact CE2-CD1 3.89Å; W1869-W1922 HydrophobicContact CE3-CB 4.05Å; W1869-W1922 AromaticContact CG-CD1 3.84Å; W1869-W1922 HydrophobicContact CH2-CB 4.16Å; W1869-W1922 HydrophobicContact CZ2-CB 4.46Å; W1869-W1922 HydrophobicContact CZ3-CB 3.96Å; W1869-W1922 VanDerWaalsContact CZ3-O 3.28Å; W1869-W1922 WeakPolarHBondContact CZ3-O 3.03Å; W1869-W1922 PolarHBondContact O-NE1 2.87Å; G1872-W1922 VanDerWaalsContact C-CZ2 3.48Å; G1872-W1922 WeakPolarHBondContact O-CZ2 3.3Å; I1873-W1922 HydrophobicContact CD1-CZ2 3.88Å; W1876-W1922 HydrophobicContact CB-CH2 4.13Å; W1876-W1922 HydrophobicContact CB-CZ2 4.14Å; W1876-W1922 HydrophobicContact CG-CH2 4.3Å; R1903-W1922 HydrophobicContact CB-CE3 3.98Å; R1903-W1922 HydrophobicContact CB-CZ3 4.38Å; R1903-W1922 HydrophobicContact CG-CB 4.45Å; R1903-W1922 HydrophobicContact CG-CE3 4.32Å; R1903-W1922 PolarHBondContact NE-O 2.91Å; R1903-W1922 PolarHBondContact NH2-O 2.02Å; L1904-W1922 HydrophobicContact CB-CH2 3.82Å; L1904-W1922 HydrophobicContact CB-CZ3 4.11Å; L1904-W1922 HydrophobicContact CD1-CH2 4.05Å; L1904-W1922 HydrophobicContact CD1-CZ2 3.97Å; L1904-W1922 HydrophobicContact CG-CH2 4.36Å; Y1915-W1922 HydrophobicContact CE2-CZ3 4.04Å; M1918-W1922 HydrophobicContact CB-CE3 4.3Å; M1918-W1922 HydrophobicContact CB-CH2 3.77Å; M1918-W1922 HydrophobicContact CB-CZ2 4.13Å; M1918-W1922 HydrophobicContact CB-CZ3 3.87Å; M1918-W1922 HydrophobicContact CG-CH2 4.48Å; M1918-W1922 VanDerWaalsContact O-CD2 3.29Å; M1918-W1922 PolarHBondContact O-N 2.98Å; M1918-W1922 VanDerWaalsContact O-N 3.09Å; M1918-W1922 HydrophobicContact SD-CH2 4.03Å; L1919-W1922 HydrophobicContact CD2-CE3 4.21Å; L1919-W1922 CarbonylContact O-C 3.57Å; L1919-W1922 PolarHBondContact O-N 2.8Å; Q1920-W1922 PolarHBondContact O-N 3.15Å
1923	Q	95.4	Very high	94.1	Very high	74 Å²	74	47.5 Å²	47.5	35%	0.346	25%	0.254	S	S	.	.			trans	-59.1	141.8	167.7	-65.2	-56.8	-67	0	0	110.5	L1919 Q1920 L1928 R1929	L1919-Q1923 PolarHBondContact O-N 3Å; L1919-Q1923 PolarHBondContact O-NE2 3.16Å; Q1920-Q1923 WeakPolarHBondContact O-CG 3.39Å; Q1923-L1928 HydrophobicContact CB-CB 3.9Å; Q1923-L1928 HydrophobicContact CG-CB 4.05Å; Q1923-R1929 HydrophobicContact CB-CG 3.95Å; Q1923-R1929 PolarHBondContact O-NE 2.79Å; Q1923-R1929 PolarHBondContact O-NH2 2.72Å
1924	A	89.4	Confident	94.4	Very high	58 Å²	58	49.4 Å²	49.4	48%	0.479	26%	0.261	S	S	.	.	S	Bend	trans	-63.3	-56.7	-178.4	0	0	0	0	0	110.5	I1854 P1926 R1929	I1854-A1924 HydrophobicContact CD1-CB 4.27Å; A1924-P1926 WeakPolarHBondContact O-CD 3.25Å; A1924-R1929 PolarHBondContact O-NH2 2.73Å
1925	D	89.8	Confident	94.5	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	26%	0.261	S	S	.	.	S	Bend	trans	-60.7	120.4	169.7	177.9	4.7	0	0	0	110.8	N1927 L1928	D1925-N1927 PolarHBondContact O-N 3.19Å; D1925-N1927 VanDerWaalsContact OD1-CB 3.31Å; D1925-N1927 WeakPolarHBondContact OD1-CB 3.36Å; D1925-N1927 PolarHBondContact OD1-N 3.43Å; D1925-N1927 PolarHBondContact OD1-ND2 2.85Å; D1925-L1928 HydrophobicContact CB-CB 4.45Å; D1925-L1928 HydrophobicContact CB-CD1 4.07Å; D1925-L1928 HydrophobicContact CB-CG 4.03Å; D1925-L1928 PolarHBondContact O-N 3.16Å
1926	P	92.6	Very high	94.4	Very high	33 Å²	33	48.9 Å²	48.9	21%	0.214	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.7	175.6	-22.9	33.8	0	0	0	114	E1855 K1865 A1924 R1929	E1855-P1926 HydrophobicContact CG-CG 4.01Å; K1865-P1926 HydrophobicContact CB-CB 3.8Å; K1865-P1926 WeakPolarHBondContact CB-O 3.2Å; K1865-P1926 WeakPolarHBondContact CD-O 3.31Å; K1865-P1926 WeakPolarHBondContact CE-O 3.39Å; K1865-P1926 HydrophobicContact CG-CB 4.42Å; K1865-P1926 WeakPolarHBondContact CG-O 3.35Å; A1924-P1926 WeakPolarHBondContact O-CD 3.25Å; P1926-R1929 PolarHBondContact O-N 2.76Å
1927	N	90.3	Very high	94.4	Very high	120 Å²	120	49.1 Å²	49.1	64%	0.642	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-69	-38.9	-178.8	-60.9	-74.2	0	0	0	111.9	K1865 D1925 R1929	K1865-N1927 PolarHBondContact NZ-O 2.75Å; D1925-N1927 PolarHBondContact O-N 3.19Å; D1925-N1927 VanDerWaalsContact OD1-CB 3.31Å; D1925-N1927 WeakPolarHBondContact OD1-CB 3.36Å; D1925-N1927 PolarHBondContact OD1-N 3.43Å; D1925-N1927 PolarHBondContact OD1-ND2 2.85Å; N1927-R1929 VanDerWaalsContact C-N 3.26Å; N1927-R1929 PolarHBondContact O-N 3.16Å
1928	L	92.8	Very high	94.2	Very high	113 Å²	113	50 Å²	50	59%	0.592	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.8	178.9	-63.2	-178.3	0	0	0	114.1	Q1923 D1925	Q1923-L1928 HydrophobicContact CB-CB 3.9Å; Q1923-L1928 HydrophobicContact CG-CB 4.05Å; D1925-L1928 HydrophobicContact CB-CB 4.45Å; D1925-L1928 HydrophobicContact CB-CD1 4.07Å; D1925-L1928 HydrophobicContact CB-CG 4.03Å; D1925-L1928 PolarHBondContact O-N 3.16Å
1929	R	96.8	Very high	94	Very high	2 Å²	2	50 Å²	50	1%	0.008	27%	0.271	C	S	.	.	S	Bend	trans	-70.3	140.3	174.4	-56.7	174.1	-163.4	153.8	11	109.8	E1855 K1865 V1868 Q1920 C1921 Q1923 A1924 P1926 N1927	E1855-R1929 IonicContact OE1-CZ 3.74Å; E1855-R1929 IonicContact OE1-NH1 3.35Å; E1855-R1929 PolarHBondContact OE1-NH1 3.02Å; E1855-R1929 IonicContact OE1-NH2 3.8Å; E1855-R1929 IonicContact OE2-CZ 2.83Å; E1855-R1929 IonicContact OE2-NH1 2.8Å; E1855-R1929 PolarHBondContact OE2-NH1 3.08Å; E1855-R1929 IonicContact OE2-NH2 3.72Å; E1855-R1929 PolarHBondContact OE2-NH2 2.55Å; K1865-R1929 PolarHBondContact NZ-O 3.4Å; K1865-R1929 WeakPolarHBondContact O-CD 3.38Å; K1865-R1929 PolarHBondContact O-NH1 3.26Å; V1868-R1929 HydrophobicContact CG1-CB 3.93Å; Q1920-R1929 WeakPolarHBondContact O-CA 3.44Å; C1921-R1929 VanDerWaalsContact O-CD 3.31Å; C1921-R1929 WeakPolarHBondContact O-CD 3.48Å; Q1923-R1929 HydrophobicContact CB-CG 3.95Å; Q1923-R1929 PolarHBondContact O-NE 2.79Å; Q1923-R1929 PolarHBondContact O-NH2 2.72Å; A1924-R1929 PolarHBondContact O-NH2 2.73Å; P1926-R1929 PolarHBondContact O-N 2.76Å; N1927-R1929 VanDerWaalsContact C-N 3.26Å; N1927-R1929 PolarHBondContact O-N 3.16Å
1930	P	96.1	Very high	93.6	Very high	18 Å²	18	50.4 Å²	50.4	12%	0.117	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.6	156	177.2	28.6	-35.1	0	0	0	110.9	V1868 Q1920 E1934 L1935	V1868-P1930 WeakPolarHBondContact CG1-O 3.45Å; V1868-P1930 WeakPolarHBondContact CG2-O 3.5Å; Q1920-P1930 HydrophobicContact CB-CG 4.22Å; Q1920-P1930 VanDerWaalsContact O-CD 3.24Å; Q1920-P1930 WeakPolarHBondContact O-CD 3.05Å; P1930-E1934 HydrophobicContact CB-CB 4.2Å; P1930-L1935 HydrophobicContact CB-CD2 4.33Å; P1930-L1935 HydrophobicContact CB-CG 4.07Å; P1930-L1935 HydrophobicContact CG-CD1 4.16Å; P1930-L1935 HydrophobicContact CG-CD2 3.61Å; P1930-L1935 HydrophobicContact CG-CG 3.73Å
1931	T	95.5	Very high	93.2	Very high	54 Å²	54	52.8 Å²	52.8	33%	0.331	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-76.2	159.2	167.8	65.9	0	0	0	0	110.9	K1933 E1934 L1935	T1931-K1933 PolarHBondContact O-N 2.87Å; T1931-K1933 VanDerWaalsContact O-N 3.08Å; T1931-E1934 WeakPolarHBondContact CA-OE2 3.39Å; T1931-E1934 VanDerWaalsContact CB-OE2 3.23Å; T1931-E1934 WeakPolarHBondContact CB-OE2 3.02Å; T1931-E1934 WeakPolarHBondContact CG2-OE2 3.32Å; T1931-E1934 PolarHBondContact N-OE2 2.91Å; T1931-E1934 PolarHBondContact O-N 3.41Å; T1931-E1934 PolarHBondContact OG1-N 2.92Å; T1931-E1934 PolarHBondContact OG1-OE2 3.17Å; T1931-L1935 PolarHBondContact O-N 3.46Å
1932	F	96	Very high	92.8	Very high	7 Å²	7	53.8 Å²	53.8	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-55.7	-26.3	172.1	-75.2	-68	0	0	0	114	M1796 I1797 L1809 S1864 D1867 V1868 Y1871 L1935 C1936	M1796-F1932 HydrophobicContact CB-CB 4.34Å; M1796-F1932 HydrophobicContact CB-CD1 3.41Å; M1796-F1932 VanDerWaalsContact CB-CD1 3.41Å; M1796-F1932 HydrophobicContact CB-CD2 3.71Å; M1796-F1932 HydrophobicContact CB-CE1 3.41Å; M1796-F1932 VanDerWaalsContact CB-CE1 3.41Å; M1796-F1932 HydrophobicContact CB-CE2 3.72Å; M1796-F1932 HydrophobicContact CB-CG 3.56Å; M1796-F1932 HydrophobicContact CB-CZ 3.56Å; M1796-F1932 HydrophobicContact CE-CE2 3.79Å; M1796-F1932 HydrophobicContact CE-CZ 3.74Å; M1796-F1932 HydrophobicContact CG-CD1 4.17Å; M1796-F1932 HydrophobicContact CG-CE1 3.67Å; M1796-F1932 HydrophobicContact CG-CE2 4.28Å; M1796-F1932 HydrophobicContact CG-CZ 3.73Å; I1797-F1932 HydrophobicContact CG1-CB 3.75Å; L1809-F1932 HydrophobicContact CD2-CZ 4.44Å; S1864-F1932 WeakPolarHBondContact O-CE2 3.41Å; D1867-F1932 HydrophobicContact CB-CE2 3.85Å; D1867-F1932 HydrophobicContact CB-CZ 3.88Å; V1868-F1932 HydrophobicContact CB-CZ 4.41Å; V1868-F1932 HydrophobicContact CG2-CD1 4.2Å; V1868-F1932 HydrophobicContact CG2-CD2 3.8Å; V1868-F1932 HydrophobicContact CG2-CE1 4.03Å; V1868-F1932 HydrophobicContact CG2-CE2 3.6Å; V1868-F1932 HydrophobicContact CG2-CG 4.09Å; V1868-F1932 HydrophobicContact CG2-CZ 3.73Å; Y1871-F1932 HydrophobicContact CD1-CE1 4.22Å; Y1871-F1932 HydrophobicContact CD2-CE1 4.08Å; Y1871-F1932 AromaticContact CG-CE1 3.73Å; Y1871-F1932 HydrophobicContact CG-CE1 3.73Å; F1932-L1935 HydrophobicContact CD1-CD1 4.17Å; F1932-C1936 VanDerWaalsContact O-CB 3.25Å; F1932-C1936 WeakPolarHBondContact O-CB 3.33Å; F1932-C1936 PolarHBondContact O-N 3.37Å
1933	K	93.8	Very high	92.1	Very high	150 Å²	150	56.4 Å²	56.4	65%	0.652	31%	0.306	S	S	*	.	H	α-helix	trans	-70.2	-43.6	175	-173	-175	176.1	-170.1	0	111.9	I1797 T1931 S1937	I1797-K1933 HydrophobicContact CD1-CB 4.43Å; T1931-K1933 PolarHBondContact O-N 2.87Å; T1931-K1933 VanDerWaalsContact O-N 3.08Å; K1933-S1937 WeakPolarHBondContact O-CB 3Å; K1933-S1937 PolarHBondContact O-N 2.85Å; K1933-S1937 PolarHBondContact O-OG 3.04Å
1934	E	95.3	Very high	91.5	Very high	107 Å²	107	55 Å²	55	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-69.1	-41.5	176.6	-70.1	152.4	137.8	0	0	110.7	P1930 T1931 S1937 A1938	P1930-E1934 HydrophobicContact CB-CB 4.2Å; T1931-E1934 WeakPolarHBondContact CA-OE2 3.39Å; T1931-E1934 VanDerWaalsContact CB-OE2 3.23Å; T1931-E1934 WeakPolarHBondContact CB-OE2 3.02Å; T1931-E1934 WeakPolarHBondContact CG2-OE2 3.32Å; T1931-E1934 PolarHBondContact N-OE2 2.91Å; T1931-E1934 PolarHBondContact O-N 3.41Å; T1931-E1934 PolarHBondContact OG1-N 2.92Å; T1931-E1934 PolarHBondContact OG1-OE2 3.17Å; E1934-S1937 PolarHBondContact O-N 3.27Å; E1934-A1938 WeakPolarHBondContact O-CB 3.3Å; E1934-A1938 PolarHBondContact O-N 3.34Å
1935	L	95.4	Very high	91.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-48.2	172.6	-73.1	167	0	0	0	112.4	V1868 Y1871 L1917 P1930 T1931 F1932 S1937 A1938 L1939	V1868-L1935 HydrophobicContact CG1-CD1 4.01Å; V1868-L1935 HydrophobicContact CG2-CD1 4.06Å; Y1871-L1935 HydrophobicContact CD1-CD1 3.78Å; Y1871-L1935 HydrophobicContact CE1-CB 4.39Å; Y1871-L1935 HydrophobicContact CE1-CD1 3.98Å; Y1871-L1935 HydrophobicContact CE1-CD2 4.42Å; L1917-L1935 HydrophobicContact CD1-CD2 3.91Å; L1917-L1935 HydrophobicContact CD2-CD2 4.27Å; L1917-L1935 HydrophobicContact CG-CD2 3.87Å; P1930-L1935 HydrophobicContact CB-CD2 4.33Å; P1930-L1935 HydrophobicContact CB-CG 4.07Å; P1930-L1935 HydrophobicContact CG-CD1 4.16Å; P1930-L1935 HydrophobicContact CG-CD2 3.61Å; P1930-L1935 HydrophobicContact CG-CG 3.73Å; T1931-L1935 PolarHBondContact O-N 3.46Å; F1932-L1935 HydrophobicContact CD1-CD1 4.17Å; L1935-S1937 VanDerWaalsContact C-N 3.3Å; L1935-S1937 PolarHBondContact O-N 3.23Å; L1935-A1938 PolarHBondContact O-N 3.3Å; L1935-L1939 WeakPolarHBondContact O-CB 3.05Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.29Å; L1935-L1939 VanDerWaalsContact O-CG 3.25Å; L1935-L1939 WeakPolarHBondContact O-CG 3.16Å; L1935-L1939 PolarHBondContact O-N 2.95Å
1936	C	93	Very high	90.8	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.128	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-38.8	177	-170.1	0	0	0	0	111.8	A1793 I1797 F1932 L1939 C1940	A1793-C1936 HydrophobicContact CB-CB 3.9Å; I1797-C1936 HydrophobicContact CD1-CB 3.69Å; F1932-C1936 VanDerWaalsContact O-CB 3.25Å; F1932-C1936 WeakPolarHBondContact O-CB 3.33Å; F1932-C1936 PolarHBondContact O-N 3.37Å; C1936-L1939 PolarHBondContact O-N 3.14Å; C1936-C1940 WeakPolarHBondContact O-CB 3.03Å; C1936-C1940 PolarHBondContact O-N 3.46Å; C1936-C1940 PolarHBondContact O-SG 2.71Å
1937	S	92	Very high	90.3	Very high	55 Å²	55	56.1 Å²	56.1	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-49.7	176.1	-54.4	0	0	0	0	111.7	K1933 E1934 L1935 L1939 C1940 E1941	K1933-S1937 WeakPolarHBondContact O-CB 3Å; K1933-S1937 PolarHBondContact O-N 2.85Å; K1933-S1937 PolarHBondContact O-OG 3.04Å; E1934-S1937 PolarHBondContact O-N 3.27Å; L1935-S1937 VanDerWaalsContact C-N 3.3Å; L1935-S1937 PolarHBondContact O-N 3.23Å; S1937-L1939 VanDerWaalsContact C-N 3.31Å; S1937-L1939 PolarHBondContact O-N 3.47Å; S1937-C1940 WeakPolarHBondContact O-CB 3.29Å; S1937-C1940 PolarHBondContact O-N 2.88Å; S1937-C1940 VanDerWaalsContact O-N 3.16Å; S1937-E1941 WeakPolarHBondContact O-CG 3.46Å; S1937-E1941 PolarHBondContact O-N 3.46Å
1938	A	91.8	Very high	90	Very high	24 Å²	24	57.6 Å²	57.6	20%	0.198	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-40.4	176.8	0	0	0	0	0	112	L1917 E1934 L1935 E1941 M1942	L1917-A1938 HydrophobicContact CD1-CB 3.9Å; L1917-A1938 HydrophobicContact CD2-CB 4.47Å; E1934-A1938 WeakPolarHBondContact O-CB 3.3Å; E1934-A1938 PolarHBondContact O-N 3.34Å; L1935-A1938 PolarHBondContact O-N 3.3Å; A1938-E1941 PolarHBondContact O-N 3.31Å; A1938-M1942 WeakPolarHBondContact O-CB 3.3Å; A1938-M1942 VanDerWaalsContact O-CG 3.24Å; A1938-M1942 WeakPolarHBondContact O-CG 3.27Å; A1938-M1942 PolarHBondContact O-N 2.92Å
1939	L	91.1	Very high	89.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.6	-36	176	-71.8	165.1	0	0	0	112.8	F1786 Y1871 F1914 L1917 L1935 C1936 S1937 E1941 M1942 K1943	F1786-L1939 HydrophobicContact CD1-CD2 4.25Å; F1786-L1939 HydrophobicContact CE1-CD2 4.04Å; Y1871-L1939 HydrophobicContact CE1-CD1 4.41Å; Y1871-L1939 WeakPolarHBondContact OH-CD1 3.47Å; F1914-L1939 HydrophobicContact CD2-CD2 4.49Å; F1914-L1939 HydrophobicContact CE2-CD2 3.56Å; F1914-L1939 HydrophobicContact CZ-CD2 4.09Å; L1917-L1939 HydrophobicContact CD2-CD2 3.84Å; L1917-L1939 HydrophobicContact CD2-CG 3.92Å; L1935-L1939 WeakPolarHBondContact O-CB 3.05Å; L1935-L1939 WeakPolarHBondContact O-CD1 3.29Å; L1935-L1939 VanDerWaalsContact O-CG 3.25Å; L1935-L1939 WeakPolarHBondContact O-CG 3.16Å; L1935-L1939 PolarHBondContact O-N 2.95Å; C1936-L1939 PolarHBondContact O-N 3.14Å; S1937-L1939 VanDerWaalsContact C-N 3.31Å; S1937-L1939 PolarHBondContact O-N 3.47Å; L1939-E1941 VanDerWaalsContact C-N 3.34Å; L1939-M1942 PolarHBondContact O-N 2.04Å; L1939-K1943 WeakPolarHBondContact O-CB 3.49Å; L1939-K1943 PolarHBondContact O-N 3.37Å
1940	C	87.4	Confident	89.2	Confident	59 Å²	59	53.9 Å²	53.9	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-39.9	172.1	-71.9	0	0	0	0	111.9	C1936 S1937	C1936-C1940 WeakPolarHBondContact O-CB 3.03Å; C1936-C1940 PolarHBondContact O-N 3.46Å; C1936-C1940 PolarHBondContact O-SG 2.71Å; S1937-C1940 WeakPolarHBondContact O-CB 3.29Å; S1937-C1940 PolarHBondContact O-N 2.88Å; S1937-C1940 VanDerWaalsContact O-N 3.16Å
1941	E	87.4	Confident	88.5	Confident	146 Å²	146	57 Å²	57	68%	0.682	29%	0.292	S	S	*	.	H	α-helix	trans	-67.5	-46.4	174.8	-70.8	174.5	-162.3	0	0	111.3	S1937 A1938 L1939 K1943 A1944	S1937-E1941 WeakPolarHBondContact O-CG 3.46Å; S1937-E1941 PolarHBondContact O-N 3.46Å; A1938-E1941 PolarHBondContact O-N 3.31Å; L1939-E1941 VanDerWaalsContact C-N 3.34Å; E1941-K1943 VanDerWaalsContact C-N 3.34Å; E1941-K1943 PolarHBondContact O-N 2.89Å; E1941-A1944 VanDerWaalsContact O-CB 3.23Å; E1941-A1944 WeakPolarHBondContact O-CB 3.44Å; E1941-A1944 PolarHBondContact O-N 2.9Å; E1941-A1944 VanDerWaalsContact O-N 3.12Å
1942	M	89.6	Confident	87.5	Confident	22 Å²	22	56 Å²	56	11%	0.108	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-37.5	177.3	-72.6	178.2	179.2	0	0	112.8	F1786 F1914 L1917 A1938 L1939 A1944 T1945 Y1949	F1786-M1942 HydrophobicContact CD1-CB 4.49Å; F1786-M1942 HydrophobicContact CE1-CB 3.47Å; F1786-M1942 VanDerWaalsContact CE1-CB 3.47Å; F1786-M1942 HydrophobicContact CZ-CB 3.87Å; F1914-M1942 HydrophobicContact CD2-SD 3.75Å; F1914-M1942 HydrophobicContact CE2-SD 4.42Å; L1917-M1942 HydrophobicContact CB-CE 4.42Å; L1917-M1942 HydrophobicContact CD2-CE 4.4Å; L1917-M1942 HydrophobicContact CD2-SD 4.17Å; A1938-M1942 WeakPolarHBondContact O-CB 3.3Å; A1938-M1942 VanDerWaalsContact O-CG 3.24Å; A1938-M1942 WeakPolarHBondContact O-CG 3.27Å; A1938-M1942 PolarHBondContact O-N 2.92Å; L1939-M1942 PolarHBondContact O-N 2.04Å; M1942-A1944 PolarHBondContact O-N 2.85Å; M1942-A1944 VanDerWaalsContact O-N 3.08Å; M1942-T1945 CarbonylContact O-C 3.46Å; M1942-T1945 VanDerWaalsContact O-C 3.26Å; M1942-T1945 PolarHBondContact O-N 3.25Å; M1942-Y1949 VanDerWaalsContact CA-CE2 3.48Å; M1942-Y1949 HydrophobicContact CB-CD2 3.51Å; M1942-Y1949 HydrophobicContact CB-CE2 3.76Å; M1942-Y1949 HydrophobicContact CB-CG 4.04Å; M1942-Y1949 HydrophobicContact CE-CE1 4.44Å; M1942-Y1949 HydrophobicContact CG-CD1 4.15Å; M1942-Y1949 HydrophobicContact CG-CD2 3.71Å; M1942-Y1949 HydrophobicContact CG-CE1 4.14Å; M1942-Y1949 HydrophobicContact CG-CE2 3.66Å; M1942-Y1949 HydrophobicContact CG-CG 3.96Å; M1942-Y1949 WeakPolarHBondContact O-CD2 2.99Å; M1942-Y1949 HydrophobicContact SD-CD1 4.36Å; M1942-Y1949 HydrophobicContact SD-CG 4.38Å
1943	K	82.5	Confident	86.1	Confident	56 Å²	56	57.4 Å²	57.4	24%	0.243	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.3	175	-177	171.6	178	172.3	0	113.4	F1786 E1790 L1939 E1941 P1946	F1786-K1943 HydrophobicContact CB-CB 4.26Å; F1786-K1943 HydrophobicContact CB-CD 4.21Å; F1786-K1943 HydrophobicContact CB-CG 4.1Å; F1786-K1943 HydrophobicContact CD1-CB 3.94Å; F1786-K1943 HydrophobicContact CG-CB 4.19Å; F1786-K1943 HydrophobicContact CG-CG 4.49Å; E1790-K1943 WeakPolarHBondContact OE2-CD 3.41Å; E1790-K1943 WeakPolarHBondContact OE2-CE 3.12Å; E1790-K1943 IonicContact OE2-NZ 3.29Å; E1790-K1943 PolarHBondContact OE2-NZ 3.26Å; L1939-K1943 WeakPolarHBondContact O-CB 3.49Å; L1939-K1943 PolarHBondContact O-N 3.37Å; E1941-K1943 VanDerWaalsContact C-N 3.34Å; E1941-K1943 PolarHBondContact O-N 2.89Å; K1943-P1946 WeakPolarHBondContact O-CD 3.04Å
1944	A	82	Confident	84.3	Confident	43 Å²	43	54.7 Å²	54.7	36%	0.355	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-42.8	166.4	0	0	0	0	0	112	F1511 E1941 M1942 P1946	F1511-A1944 VanDerWaalsContact CE1-C 3.5Å; F1511-A1944 HydrophobicContact CE1-CB 4.32Å; F1511-A1944 WeakPolarHBondContact CE1-O 3.22Å; F1511-A1944 VanDerWaalsContact CZ-O 3.29Å; F1511-A1944 WeakPolarHBondContact CZ-O 3.34Å; E1941-A1944 VanDerWaalsContact O-CB 3.23Å; E1941-A1944 WeakPolarHBondContact O-CB 3.44Å; E1941-A1944 PolarHBondContact O-N 2.9Å; E1941-A1944 VanDerWaalsContact O-N 3.12Å; M1942-A1944 PolarHBondContact O-N 2.85Å; M1942-A1944 VanDerWaalsContact O-N 3.08Å; A1944-P1946 WeakPolarHBondContact O-CD 3.07Å
1945	T	83.8	Confident	82.3	Confident	40 Å²	40	55.5 Å²	55.5	25%	0.245	30%	0.295	C	S	.	.	S	Bend	trans	-112.6	59.4	177.6	72	0	0	0	0	111.2	F1511 M1942 N1947 R1948 Y1949	F1511-T1945 HydrophobicContact CE1-CG2 3.38Å; F1511-T1945 HydrophobicContact CZ-CG2 3.44Å; F1511-T1945 VanDerWaalsContact CZ-CG2 3.44Å; M1942-T1945 CarbonylContact O-C 3.46Å; M1942-T1945 VanDerWaalsContact O-C 3.26Å; M1942-T1945 PolarHBondContact O-N 3.25Å; T1945-N1947 PolarHBondContact O-N 2.03Å; T1945-R1948 VanDerWaalsContact O-CB 3.31Å; T1945-R1948 WeakPolarHBondContact O-CB 3.47Å; T1945-R1948 PolarHBondContact O-N 3.39Å; T1945-Y1949 WeakPolarHBondContact O-CD2 3.32Å; T1945-Y1949 VanDerWaalsContact OG1-CD2 3.28Å; T1945-Y1949 WeakPolarHBondContact OG1-CD2 3.46Å; T1945-Y1949 WeakPolarHBondContact OG1-CE2 3.25Å
1946	P	81.2	Confident	80.4	Confident	22 Å²	22	56.6 Å²	56.6	14%	0.143	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-46.7	-165.3	21.3	-31.9	0	0	0	112.6	V1782 N1783 F1786 K1943 A1944 R1948 Y1949 L1950	V1782-P1946 HydrophobicContact CG1-CB 3.94Å; N1783-P1946 WeakPolarHBondContact OD1-CG 3.31Å; F1786-P1946 HydrophobicContact CD2-CB 3.78Å; F1786-P1946 HydrophobicContact CE2-CB 4.01Å; K1943-P1946 WeakPolarHBondContact O-CD 3.04Å; A1944-P1946 WeakPolarHBondContact O-CD 3.07Å; P1946-R1948 PolarHBondContact O-N 3.13Å; P1946-R1948 VanDerWaalsContact O-N 3.16Å; P1946-Y1949 PolarHBondContact O-N 2.74Å; P1946-L1950 PolarHBondContact O-N 2.93Å
1947	N	82.9	Confident	78.4	Confident	122 Å²	122	60.4 Å²	60.4	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-70.3	-5.8	-179.9	-61.7	-5.1	0	0	0	114.9	T1945 L1950	T1945-N1947 PolarHBondContact O-N 2.03Å; N1947-L1950 WeakPolarHBondContact CA-O 3.43Å
1948	R	83.5	Confident	75.8	Confident	151 Å²	151	62.2 Å²	62.2	57%	0.57	32%	0.321	S	S	*	.	H	α-helix	trans	-78.6	-36.4	167.5	172.8	-175.2	164.5	154.7	-0.8	110.5	S1911 D1913 T1945 P1946	S1911-R1948 WeakPolarHBondContact CB-O 3.27Å; D1913-R1948 IonicContact OD2-CZ 3.93Å; D1913-R1948 IonicContact OD2-NE 3.56Å; D1913-R1948 PolarHBondContact OD2-NE 3.06Å; D1913-R1948 IonicContact OD2-NH2 2.97Å; D1913-R1948 PolarHBondContact OD2-NH2 3.44Å; T1945-R1948 VanDerWaalsContact O-CB 3.31Å; T1945-R1948 WeakPolarHBondContact O-CB 3.47Å; T1945-R1948 PolarHBondContact O-N 3.39Å; P1946-R1948 PolarHBondContact O-N 3.13Å; P1946-R1948 VanDerWaalsContact O-N 3.16Å
1949	Y	87	Confident	73.2	Confident	36 Å²	36	64.5 Å²	64.5	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-99.6	-30.1	-164.5	-70.2	-61	0	0	0	113.4	F1786 S1911 D1913 F1914 M1942 T1945 P1946	F1786-Y1949 HydrophobicContact CZ-CG 4.46Å; S1911-Y1949 VanDerWaalsContact CB-O 3.28Å; S1911-Y1949 WeakPolarHBondContact CB-O 3.12Å; S1911-Y1949 PolarHBondContact N-O 3.31Å; S1911-Y1949 VanDerWaalsContact OG-CA 3.24Å; S1911-Y1949 WeakPolarHBondContact OG-CA 3.47Å; S1911-Y1949 PolarHBondContact OG-O 2.83Å; D1913-Y1949 HydrophobicContact CB-CD1 3.59Å; D1913-Y1949 HydrophobicContact CB-CE1 3.46Å; D1913-Y1949 VanDerWaalsContact CB-CE1 3.46Å; D1913-Y1949 WeakPolarHBondContact OD2-CE1 3.49Å; F1914-Y1949 WeakPolarHBondContact CB-O 3.07Å; M1942-Y1949 VanDerWaalsContact CA-CE2 3.48Å; M1942-Y1949 HydrophobicContact CB-CD2 3.51Å; M1942-Y1949 HydrophobicContact CB-CE2 3.76Å; M1942-Y1949 HydrophobicContact CB-CG 4.04Å; M1942-Y1949 HydrophobicContact CE-CE1 4.44Å; M1942-Y1949 HydrophobicContact CG-CD1 4.15Å; M1942-Y1949 HydrophobicContact CG-CD2 3.71Å; M1942-Y1949 HydrophobicContact CG-CE1 4.14Å; M1942-Y1949 HydrophobicContact CG-CE2 3.66Å; M1942-Y1949 HydrophobicContact CG-CG 3.96Å; M1942-Y1949 WeakPolarHBondContact O-CD2 2.99Å; M1942-Y1949 HydrophobicContact SD-CD1 4.36Å; M1942-Y1949 HydrophobicContact SD-CG 4.38Å; T1945-Y1949 WeakPolarHBondContact O-CD2 3.32Å; T1945-Y1949 VanDerWaalsContact OG1-CD2 3.28Å; T1945-Y1949 WeakPolarHBondContact OG1-CD2 3.46Å; T1945-Y1949 WeakPolarHBondContact OG1-CE2 3.25Å; P1946-Y1949 PolarHBondContact O-N 2.74Å
1950	L	85.2	Confident	70.6	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-135	145.2	174.9	-71.1	-178.6	0	0	0	108.7	V1782 L1785 F1786 T1909 T1910 F1914 P1946 N1947	V1782-L1950 HydrophobicContact CG1-CB 3.5Å; V1782-L1950 VanDerWaalsContact CG1-CB 3.5Å; V1782-L1950 HydrophobicContact CG1-CD1 4.34Å; V1782-L1950 HydrophobicContact CG2-CB 4.42Å; L1785-L1950 HydrophobicContact CB-CD1 3.87Å; L1785-L1950 HydrophobicContact CD1-CD1 4.23Å; F1786-L1950 HydrophobicContact CD2-CD1 3.88Å; F1786-L1950 HydrophobicContact CD2-CG 4.47Å; F1786-L1950 HydrophobicContact CE2-CB 3.99Å; F1786-L1950 HydrophobicContact CE2-CD1 3.62Å; F1786-L1950 HydrophobicContact CE2-CG 3.74Å; F1786-L1950 HydrophobicContact CZ-CD1 4.16Å; F1786-L1950 HydrophobicContact CZ-CG 4.13Å; T1909-L1950 CarbonylContact O-C 3.58Å; T1909-L1950 VanDerWaalsContact O-CA 3.26Å; T1909-L1950 WeakPolarHBondContact O-CA 3.46Å; T1910-L1950 HydrophobicContact CG2-CD2 3.52Å; F1914-L1950 HydrophobicContact CD1-CD2 3.66Å; F1914-L1950 HydrophobicContact CD1-CG 4.38Å; F1914-L1950 HydrophobicContact CD2-CD2 4.37Å; F1914-L1950 HydrophobicContact CD2-CG 4.25Å; F1914-L1950 HydrophobicContact CE1-CD1 4.48Å; F1914-L1950 HydrophobicContact CE1-CD2 3.8Å; F1914-L1950 HydrophobicContact CE1-CG 4.4Å; F1914-L1950 HydrophobicContact CE2-CD1 4.24Å; F1914-L1950 HydrophobicContact CE2-CD2 4.48Å; F1914-L1950 HydrophobicContact CE2-CG 4.26Å; F1914-L1950 HydrophobicContact CG-CD2 3.97Å; F1914-L1950 HydrophobicContact CG-CG 4.31Å; F1914-L1950 HydrophobicContact CZ-CD1 4.12Å; F1914-L1950 HydrophobicContact CZ-CD2 4.22Å; F1914-L1950 HydrophobicContact CZ-CG 4.34Å; P1946-L1950 PolarHBondContact O-N 2.93Å; N1947-L1950 WeakPolarHBondContact CA-O 3.43Å
1951	F	82.1	Confident	68.1	Low	83 Å²	83	72.5 Å²	72.5	36%	0.364	37%	0.368	S	S	.	.			trans	-146.4	152.3	178	47.4	-87.4	0	0	0	110.3	E1908 T1909 T1953	E1908-F1951 WeakPolarHBondContact O-CE2 3.4Å; E1908-F1951 WeakPolarHBondContact O-CZ 3.47Å; T1909-F1951 CarbonylContact C-O 3.44Å; T1909-F1951 WeakPolarHBondContact CA-O 3.35Å; T1909-F1951 VanDerWaalsContact CB-O 3.28Å; T1909-F1951 WeakPolarHBondContact CB-O 3.34Å; T1909-F1951 PolarHBondContact O-N 2.83Å; F1951-T1953 HydrophobicContact CD2-CG2 4.03Å
1952	I	75.3	Confident	65.4	Low	32 Å²	32	71.2 Å²	71.2	16%	0.164	37%	0.37	C	S	.	.			trans	-131.2	105.4	178.9	-54.8	173.7	0	0	0	105.8	I1780 V1782 L1785 F1881 R1957	I1780-I1952 HydrophobicContact CG2-CD1 4.5Å; I1780-I1952 WeakPolarHBondContact O-CD1 3.31Å; V1782-I1952 HydrophobicContact CG2-CD1 4.09Å; V1782-I1952 HydrophobicContact CG2-CG1 3.99Å; L1785-I1952 HydrophobicContact CD1-CD1 4.43Å; F1881-I1952 HydrophobicContact CE1-CD1 4.36Å; F1881-I1952 HydrophobicContact CZ-CD1 3.98Å; F1881-I1952 HydrophobicContact CZ-CG1 4.09Å; F1881-I1952 HydrophobicContact CZ-CG2 4.12Å; I1952-R1957 HydrophobicContact CG2-CG 3.96Å
1953	T	66.3	Low	62.7	Low	38 Å²	38	75.5 Å²	75.5	23%	0.233	39%	0.393	C	S	.	.			trans	-81.2	160.5	-173.1	82.1	0	0	0	0	112.1	F1951 E1955 L1956 R1957	F1951-T1953 HydrophobicContact CD2-CG2 4.03Å; T1953-E1955 VanDerWaalsContact C-N 3.26Å; T1953-E1955 WeakPolarHBondContact CB-OE2 3.1Å; T1953-E1955 PolarHBondContact O-N 3.21Å; T1953-E1955 PolarHBondContact OG1-N 3.31Å; T1953-E1955 PolarHBondContact OG1-OE2 3.18Å; T1953-L1956 HydrophobicContact CG2-CD1 4.28Å; T1953-L1956 PolarHBondContact O-N 3.36Å; T1953-L1956 PolarHBondContact OG1-N 3.16Å; T1953-L1956 VanDerWaalsContact OG1-N 3.11Å; T1953-R1957 PolarHBondContact O-N 2.88Å
1954	P	54.8	Low	60.2	Low	92 Å²	92	81 Å²	81	60%	0.597	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32	171.8	-23.1	35.7	0	0	0	113.3	R1957 T1958	P1954-R1957 CarbonylContact O-C 3.43Å; P1954-R1957 WeakPolarHBondContact O-CA 3.09Å; P1954-R1957 PolarHBondContact O-N 3.15Å; P1954-T1958 PolarHBondContact O-N 3.17Å; P1954-T1958 VanDerWaalsContact O-N 3.16Å; P1954-T1958 PolarHBondContact O-OG1 2.78Å
1955	E	53.6	Low	58	Low	124 Å²	124	83.8 Å²	83.8	58%	0.579	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-45.4	175.2	-53.5	78	-169.7	0	0	110.4	T1953 R1957 T1958 S1959	T1953-E1955 VanDerWaalsContact C-N 3.26Å; T1953-E1955 WeakPolarHBondContact CB-OE2 3.1Å; T1953-E1955 PolarHBondContact O-N 3.21Å; T1953-E1955 PolarHBondContact OG1-N 3.31Å; T1953-E1955 PolarHBondContact OG1-OE2 3.18Å; E1955-R1957 PolarHBondContact O-N 2.67Å; E1955-T1958 WeakPolarHBondContact CA-OG1 3.38Å; E1955-T1958 CarbonylContact O-C 3.55Å; E1955-T1958 PolarHBondContact O-N 3.14Å; E1955-T1958 PolarHBondContact O-OG1 2.87Å; E1955-T1958 VanDerWaalsContact O-OG1 3.12Å; E1955-S1959 WeakPolarHBondContact O-CB 3.22Å; E1955-S1959 PolarHBondContact O-N 2.82Å; E1955-S1959 PolarHBondContact O-OG 2.63Å
1956	L	55.1	Low	55.7	Low	23 Å²	23	84.9 Å²	84.9	12%	0.12	44%	0.436	C	S	.	.	H	α-helix	trans	-58.8	-37.2	171.9	-79.8	164.4	0	0	0	111.4	W1777 E1908 T1909 T1953 T1958	W1777-L1956 WeakPolarHBondContact CH2-O 3.07Å; W1777-L1956 WeakPolarHBondContact CZ3-O 3.29Å; E1908-L1956 HydrophobicContact CB-CD1 4.15Å; E1908-L1956 HydrophobicContact CB-CD2 4.32Å; T1909-L1956 HydrophobicContact CG2-CD1 3.87Å; T1953-L1956 HydrophobicContact CG2-CD1 4.28Å; T1953-L1956 PolarHBondContact O-N 3.36Å; T1953-L1956 PolarHBondContact OG1-N 3.16Å; T1953-L1956 VanDerWaalsContact OG1-N 3.11Å; L1956-T1958 PolarHBondContact O-N 3.44Å
1957	R	51.2	Low	53.5	Low	100 Å²	100	87.5 Å²	87.5	38%	0.377	46%	0.455	S	S	.	.	H	α-helix	trans	-71.4	-0.5	173.1	-73.9	-176.8	171.4	-144.6	-8	115.4	W1777 D1778 I1780 I1952 T1953 P1954 E1955 F1961	W1777-R1957 HydrophobicContact CZ3-CB 4.49Å; W1777-R1957 HydrophobicContact CZ3-CG 4.31Å; D1778-R1957 VanDerWaalsContact O-CZ 3.29Å; D1778-R1957 PolarHBondContact O-NH1 3.11Å; D1778-R1957 PolarHBondContact O-NH2 3.07Å; I1780-R1957 PolarHBondContact O-NH2 2.71Å; I1952-R1957 HydrophobicContact CG2-CG 3.96Å; T1953-R1957 PolarHBondContact O-N 2.88Å; P1954-R1957 CarbonylContact O-C 3.43Å; P1954-R1957 WeakPolarHBondContact O-CA 3.09Å; P1954-R1957 PolarHBondContact O-N 3.15Å; E1955-R1957 PolarHBondContact O-N 2.67Å; R1957-F1961 WeakPolarHBondContact O-CE2 3.35Å
1958	T	38.9	Very low	51.4	Low	93 Å²	93	84.9 Å²	84.9	57%	0.571	44%	0.438	S	S	*	.	H	α-helix	trans	-131.1	-22.3	179	47.1	0	0	0	0	114.2	P1954 E1955 L1956 N1960 F1961	P1954-T1958 PolarHBondContact O-N 3.17Å; P1954-T1958 VanDerWaalsContact O-N 3.16Å; P1954-T1958 PolarHBondContact O-OG1 2.78Å; E1955-T1958 WeakPolarHBondContact CA-OG1 3.38Å; E1955-T1958 CarbonylContact O-C 3.55Å; E1955-T1958 PolarHBondContact O-N 3.14Å; E1955-T1958 PolarHBondContact O-OG1 2.87Å; E1955-T1958 VanDerWaalsContact O-OG1 3.12Å; L1956-T1958 PolarHBondContact O-N 3.44Å; T1958-N1960 PolarHBondContact O-N 3.08Å; T1958-F1961 WeakPolarHBondContact O-CB 3.26Å; T1958-F1961 PolarHBondContact O-N 3.37Å
1959	S	37.4	Very low	49.1	Very low	71 Å²	71	82 Å²	82	50%	0.497	43%	0.434	S	S	.	.	H	α-helix	trans	-69.4	-29.2	-177	59.6	0	0	0	0	114.5	E1955 F1961	E1955-S1959 WeakPolarHBondContact O-CB 3.22Å; E1955-S1959 PolarHBondContact O-N 2.82Å; E1955-S1959 PolarHBondContact O-OG 2.63Å; S1959-F1961 VanDerWaalsContact C-N 3.3Å; S1959-F1961 PolarHBondContact O-N 2.85Å
1960	N	35.8	Very low	46.6	Very low	77 Å²	77	81.1 Å²	81.1	41%	0.412	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-83.1	6.3	177.4	-83.8	-29.9	0	0	0	114.6	W1777 T1958 T1962	W1777-N1960 HydrophobicContact CH2-CB 3.99Å; W1777-N1960 HydrophobicContact CZ2-CB 3.91Å; T1958-N1960 PolarHBondContact O-N 3.08Å; N1960-T1962 VanDerWaalsContact C-N 3.31Å; N1960-T1962 PolarHBondContact O-N 2.87Å
1961	F	34	Very low	44.5	Very low	150 Å²	150	84.8 Å²	84.8	66%	0.658	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-80.7	3.6	-175.4	-93.5	-99.8	0	0	0	115.8	W1777 R1957 T1958 S1959	W1777-F1961 HydrophobicContact CH2-CD2 4.27Å; W1777-F1961 HydrophobicContact CH2-CE2 4.06Å; W1777-F1961 HydrophobicContact CZ2-CD2 4.08Å; W1777-F1961 AromaticContact CZ2-CE2 3.78Å; W1777-F1961 HydrophobicContact CZ2-CE2 3.78Å; R1957-F1961 WeakPolarHBondContact O-CE2 3.35Å; T1958-F1961 WeakPolarHBondContact O-CB 3.26Å; T1958-F1961 PolarHBondContact O-N 3.37Å; S1959-F1961 VanDerWaalsContact C-N 3.3Å; S1959-F1961 PolarHBondContact O-N 2.85Å
1962	T	30.7	Very low	42.5	Very low	120 Å²	120	83.4 Å²	83.4	74%	0.736	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-82.1	-12.9	179.9	46.2	0	0	0	0	114.9	N1960	N1960-T1962 VanDerWaalsContact C-N 3.31Å; N1960-T1962 PolarHBondContact O-N 2.87Å
1963	N	33.4	Very low	40.7	Very low	111 Å²	111	87.4 Å²	87.4	59%	0.594	47%	0.465	S	S	*	.			trans	-97.6	105.4	177.5	-75.1	-30.8	0	0	0	112.3	D1965	N1963-D1965 VanDerWaalsContact C-N 3.27Å; N1963-D1965 PolarHBondContact O-N 3.05Å
1964	Q	30.4	Very low	39.4	Very low	171 Å²	171	88.2 Å²	88.2	80%	0.799	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.2	-175	-68	-173.7	-14.6	0	0	115.2	T1966	Q1964-T1966 VanDerWaalsContact C-N 3.31Å; Q1964-T1966 PolarHBondContact O-N 2.7Å
1965	D	35.4	Very low	38.9	Very low	102 Å²	102	84.6 Å²	84.6	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-64.3	-28.9	-172.2	-61.8	-44.7	0	0	0	114.6	N1963 S1967 Q1968 N1969	N1963-D1965 VanDerWaalsContact C-N 3.27Å; N1963-D1965 PolarHBondContact O-N 3.05Å; D1965-S1967 PolarHBondContact O-N 3.07Å; D1965-Q1968 WeakPolarHBondContact O-CB 3.12Å; D1965-Q1968 PolarHBondContact O-N 3.37Å; D1965-Q1968 VanDerWaalsContact O-N 3.15Å; D1965-N1969 VanDerWaalsContact O-CG 3.29Å; D1965-N1969 PolarHBondContact O-N 2.03Å
1966	T	35.5	Very low	38.3	Very low	64 Å²	64	81.5 Å²	81.5	39%	0.393	44%	0.436	S	S	.	.	H	α-helix	trans	-70.5	-32.2	-162	76.7	0	0	0	0	114.3	Q1964 A1970 R2041	Q1964-T1966 VanDerWaalsContact C-N 3.31Å; Q1964-T1966 PolarHBondContact O-N 2.7Å; T1966-A1970 PolarHBondContact O-N 3.43Å; T1966-R2041 VanDerWaalsContact C-NH1 3.25Å; T1966-R2041 PolarHBondContact O-NH1 2.82Å; T1966-R2041 PolarHBondContact OG1-NH1 3.04Å; T1966-R2041 PolarHBondContact OG1-NH2 2.89Å; T1966-R2041 VanDerWaalsContact OG1-NH2 3.14Å
1967	S	34.5	Very low	37.2	Very low	77 Å²	77	81.6 Å²	81.6	54%	0.538	44%	0.438	S	S	.	.	H	α-helix	trans	-76.3	-32.6	174	43.2	0	0	0	0	112.2	D1965 L1971	D1965-S1967 PolarHBondContact O-N 3.07Å; S1967-L1971 PolarHBondContact O-N 3.14Å
1968	Q	39.7	Very low	36.5	Very low	66 Å²	66	79.9 Å²	79.9	31%	0.308	44%	0.436	S	S	.	.	H	α-helix	trans	-66.9	-47.3	178.7	-164.1	69.5	-89.5	0	0	110.9	K749 D1965 L1971 E1972	K749-Q1968 VanDerWaalsContact CD-CD 3.47Å; K749-Q1968 HydrophobicContact CD-CG 3.68Å; K749-Q1968 VanDerWaalsContact CE-CD 3.49Å; K749-Q1968 HydrophobicContact CG-CG 4.34Å; D1965-Q1968 WeakPolarHBondContact O-CB 3.12Å; D1965-Q1968 PolarHBondContact O-N 3.37Å; D1965-Q1968 VanDerWaalsContact O-N 3.15Å; Q1968-L1971 PolarHBondContact O-N 2.87Å; Q1968-E1972 PolarHBondContact O-N 3.21Å
1969	N	35.5	Very low	36.4	Very low	91 Å²	91	77.6 Å²	77.6	49%	0.487	42%	0.422	S	S	.	.	H	α-helix	trans	-64.8	-38.6	178.8	-66.6	-12.4	0	0	0	112.4	D1965 L1971 E1972 F1973	D1965-N1969 VanDerWaalsContact O-CG 3.29Å; D1965-N1969 PolarHBondContact O-N 2.03Å; N1969-L1971 VanDerWaalsContact C-N 3.33Å; N1969-L1971 PolarHBondContact O-N 3.23Å; N1969-E1972 PolarHBondContact O-N 3.31Å; N1969-F1973 WeakPolarHBondContact O-CB 3.37Å; N1969-F1973 PolarHBondContact O-N 2.67Å
1970	A	34.6	Very low	36.2	Very low	18 Å²	18	77.7 Å²	77.7	15%	0.149	42%	0.417	C	S	.	.	H	α-helix	trans	-63.3	-38.5	176.9	0	0	0	0	0	112.4	T1966 L1974	T1966-A1970 PolarHBondContact O-N 3.43Å; A1970-L1974 VanDerWaalsContact O-CG 3.32Å; A1970-L1974 WeakPolarHBondContact O-CG 3.36Å; A1970-L1974 PolarHBondContact O-N 2.83Å; A1970-L1974 VanDerWaalsContact O-N 3.15Å
1971	L	40.9	Very low	36.1	Very low	78 Å²	78	77 Å²	77	41%	0.408	42%	0.415	S	S	.	.	H	α-helix	trans	-72.8	-31.8	176.3	-173.1	60.1	0	0	0	112.2	S1967 Q1968 N1969 T1975	S1967-L1971 PolarHBondContact O-N 3.14Å; Q1968-L1971 PolarHBondContact O-N 2.87Å; N1969-L1971 VanDerWaalsContact C-N 3.33Å; N1969-L1971 PolarHBondContact O-N 3.23Å; L1971-T1975 PolarHBondContact O-N 3.47Å; L1971-T1975 PolarHBondContact O-OG1 3.05Å; L1971-T1975 VanDerWaalsContact O-OG1 3.09Å
1972	E	40.5	Very low	35.9	Very low	54 Å²	54	74.5 Å²	74.5	25%	0.252	41%	0.413	S	S	.	.	H	α-helix	trans	-69.6	-45	175.9	-146.4	129.5	-113.8	0	0	112.2	R708 K749 Q1968 N1969 L1974 T1975 S1976	R708-E1972 IonicContact NH2-OE1 2.71Å; R708-E1972 PolarHBondContact NH2-OE1 2.86Å; K749-E1972 WeakPolarHBondContact CD-OE1 3.45Å; K749-E1972 WeakPolarHBondContact CE-OE1 3.07Å; K749-E1972 IonicContact NZ-OE1 2.76Å; K749-E1972 PolarHBondContact NZ-OE1 2.94Å; K749-E1972 IonicContact NZ-OE2 2.69Å; K749-E1972 PolarHBondContact NZ-OE2 2.75Å; Q1968-E1972 PolarHBondContact O-N 3.21Å; N1969-E1972 PolarHBondContact O-N 3.31Å; E1972-L1974 VanDerWaalsContact C-N 3.31Å; E1972-L1974 PolarHBondContact O-N 3.21Å; E1972-T1975 PolarHBondContact O-N 2.91Å; E1972-S1976 PolarHBondContact O-N 2.68Å
1973	F	36.8	Very low	35.8	Very low	116 Å²	116	74.6 Å²	74.6	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-58	-43.3	172.6	-175	-92.7	0	0	0	111.3	N1969 C1977	N1969-F1973 WeakPolarHBondContact O-CB 3.37Å; N1969-F1973 PolarHBondContact O-N 2.67Å; F1973-C1977 WeakPolarHBondContact O-CB 3.34Å; F1973-C1977 PolarHBondContact O-N 3.47Å; F1973-C1977 PolarHBondContact O-SG 2.8Å
1974	L	38.5	Very low	35.5	Very low	55 Å²	55	74 Å²	74	29%	0.288	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-44.8	174	-75.3	168.4	0	0	0	112.6	A1970 E1972 L1978 L2036	A1970-L1974 VanDerWaalsContact O-CG 3.32Å; A1970-L1974 WeakPolarHBondContact O-CG 3.36Å; A1970-L1974 PolarHBondContact O-N 2.83Å; A1970-L1974 VanDerWaalsContact O-N 3.15Å; E1972-L1974 VanDerWaalsContact C-N 3.31Å; E1972-L1974 PolarHBondContact O-N 3.21Å; L1974-L1978 VanDerWaalsContact O-CG 3.31Å; L1974-L1978 WeakPolarHBondContact O-CG 3.49Å; L1974-L1978 PolarHBondContact O-N 3.03Å; L1974-L1978 VanDerWaalsContact O-N 3.14Å; L1974-L2036 HydrophobicContact CD2-CD2 4.01Å
1975	T	43.7	Very low	35.4	Very low	15 Å²	15	72 Å²	72	9%	0.092	41%	0.406	C	S	.	.	H	α-helix	trans	-61.3	-48.8	175.5	-49.3	0	0	0	0	111.1	R708 L1971 E1972 C1977 L1978 T1979	R708-T1975 PolarHBondContact NH1-OG1 2.69Å; L1971-T1975 PolarHBondContact O-N 3.47Å; L1971-T1975 PolarHBondContact O-OG1 3.05Å; L1971-T1975 VanDerWaalsContact O-OG1 3.09Å; E1972-T1975 PolarHBondContact O-N 2.91Å; T1975-C1977 VanDerWaalsContact C-N 3.33Å; T1975-C1977 PolarHBondContact O-N 2.83Å; T1975-L1978 CarbonylContact O-C 3.51Å; T1975-L1978 PolarHBondContact O-N 3.5Å; T1975-T1979 HydrophobicContact CG2-CG2 3.92Å; T1975-T1979 PolarHBondContact O-N 3.26Å; T1975-T1979 PolarHBondContact O-OG1 3.16Å; T1975-T1979 VanDerWaalsContact O-OG1 3.1Å
1976	S	41.2	Very low	35	Very low	59 Å²	59	76.7 Å²	76.7	41%	0.413	42%	0.422	S	S	.	.	H	α-helix	trans	-56.1	-46.7	-179.2	168.3	0	0	0	0	112.1	E1972 L1978 T1979 D1980	E1972-S1976 PolarHBondContact O-N 2.68Å; S1976-L1978 VanDerWaalsContact C-N 3.3Å; S1976-L1978 PolarHBondContact O-N 2.04Å; S1976-T1979 WeakPolarHBondContact CA-OG1 3.23Å; S1976-T1979 PolarHBondContact O-N 3.21Å; S1976-T1979 PolarHBondContact O-OG1 3.17Å; S1976-T1979 VanDerWaalsContact O-OG1 3.11Å; S1976-D1980 PolarHBondContact O-N 2.88Å; S1976-D1980 VanDerWaalsContact O-N 3.16Å
1977	C	32.9	Very low	34.6	Very low	26 Å²	26	78.5 Å²	78.5	18%	0.176	44%	0.437	C	S	.	.	H	α-helix	trans	-60.6	-36.3	176.4	-72.7	0	0	0	0	113.4	F1973 T1975 T1981 W2032	F1973-C1977 WeakPolarHBondContact O-CB 3.34Å; F1973-C1977 PolarHBondContact O-N 3.47Å; F1973-C1977 PolarHBondContact O-SG 2.8Å; T1975-C1977 VanDerWaalsContact C-N 3.33Å; T1975-C1977 PolarHBondContact O-N 2.83Å; C1977-T1981 WeakPolarHBondContact O-CG2 3.41Å; C1977-T1981 PolarHBondContact O-OG1 2.89Å; C1977-W2032 HydrophobicContact CB-CH2 3.95Å; C1977-W2032 HydrophobicContact CB-CZ2 3.84Å
1978	L	36.6	Very low	34.4	Very low	64 Å²	64	81.2 Å²	81.2	34%	0.335	45%	0.451	S	S	.	.	H	α-helix	trans	-81.8	-30.2	179.2	-68	169.7	0	0	0	112.9	L1974 T1975 S1976 T1981 T1982 W2032	L1974-L1978 VanDerWaalsContact O-CG 3.31Å; L1974-L1978 WeakPolarHBondContact O-CG 3.49Å; L1974-L1978 PolarHBondContact O-N 3.03Å; L1974-L1978 VanDerWaalsContact O-N 3.14Å; T1975-L1978 CarbonylContact O-C 3.51Å; T1975-L1978 PolarHBondContact O-N 3.5Å; S1976-L1978 VanDerWaalsContact C-N 3.3Å; S1976-L1978 PolarHBondContact O-N 2.04Å; L1978-T1981 PolarHBondContact O-OG1 3.17Å; L1978-T1982 WeakPolarHBondContact O-CG2 3.42Å; L1978-W2032 HydrophobicContact CD2-CH2 4.33Å; L1978-W2032 HydrophobicContact CD2-CZ3 4.19Å
1979	T	35.9	Very low	33.8	Very low	45 Å²	45	86.9 Å²	86.9	28%	0.276	48%	0.477	S	S	.	.	H	α-helix	trans	-74.2	-42.2	178.1	48.6	0	0	0	0	112.5	T1975 S1976 T1981 T1982	T1975-T1979 HydrophobicContact CG2-CG2 3.92Å; T1975-T1979 PolarHBondContact O-N 3.26Å; T1975-T1979 PolarHBondContact O-OG1 3.16Å; T1975-T1979 VanDerWaalsContact O-OG1 3.1Å; S1976-T1979 WeakPolarHBondContact CA-OG1 3.23Å; S1976-T1979 PolarHBondContact O-N 3.21Å; S1976-T1979 PolarHBondContact O-OG1 3.17Å; S1976-T1979 VanDerWaalsContact O-OG1 3.11Å; T1979-T1981 VanDerWaalsContact C-N 3.34Å; T1979-T1981 PolarHBondContact O-N 3.35Å; T1979-T1982 PolarHBondContact O-N 3.17Å; T1979-T1982 PolarHBondContact O-OG1 2.9Å
1980	D	33.1	Very low	33.5	Very low	73 Å²	73	89 Å²	89	39%	0.39	49%	0.493	S	S	.	.	H	α-helix	trans	-73.2	-24.5	-176.9	-76	-35	0	0	0	113.4	P1633 S1976 T1982	P1633-D1980 HydrophobicContact CB-CB 4.12Å; P1633-D1980 WeakPolarHBondContact CB-OD2 3.47Å; P1633-D1980 HydrophobicContact CG-CB 3.93Å; S1976-D1980 PolarHBondContact O-N 2.88Å; S1976-D1980 VanDerWaalsContact O-N 3.16Å; D1980-T1982 VanDerWaalsContact C-N 3.31Å; D1980-T1982 PolarHBondContact O-N 3.44Å
1981	T	33.9	Very low	33.2	Very low	61 Å²	61	95.8 Å²	95.8	37%	0.374	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.1	178.1	43.5	0	0	0	0	113.7	C1977 L1978 T1979 W2032	C1977-T1981 WeakPolarHBondContact O-CG2 3.41Å; C1977-T1981 PolarHBondContact O-OG1 2.89Å; L1978-T1981 PolarHBondContact O-OG1 3.17Å; T1979-T1981 VanDerWaalsContact C-N 3.34Å; T1979-T1981 PolarHBondContact O-N 3.35Å; T1981-W2032 HydrophobicContact CG2-CH2 4.18Å; T1981-W2032 HydrophobicContact CG2-CZ3 4.5Å
1982	T	30.1	Very low	32.5	Very low	98 Å²	98	97.4 Å²	97.4	60%	0.601	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.5	-178.1	60.7	0	0	0	0	115.2	L1978 T1979 D1980	L1978-T1982 WeakPolarHBondContact O-CG2 3.42Å; T1979-T1982 PolarHBondContact O-N 3.17Å; T1979-T1982 PolarHBondContact O-OG1 2.9Å; D1980-T1982 VanDerWaalsContact C-N 3.31Å; D1980-T1982 PolarHBondContact O-N 3.44Å
1983	I	28.3	Very low	31.9	Very low	122 Å²	122	97.2 Å²	97.2	63%	0.626	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-84.2	-14.8	-167	-65.7	176.4	0	0	0	113.5	L1985	I1983-L1985 PolarHBondContact O-N 3.48Å
1984	S	27.7	Very low	31.4	Very low	99 Å²	99	94 Å²	94	69%	0.692	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-74.3	16.4	-179.3	-166.6	0	0	0	0	115.5
1985	L	27.3	Very low	30.9	Very low	129 Å²	129	96.7 Å²	96.7	68%	0.675	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-126.2	9.7	-169.3	-94.2	169.4	0	0	0	116.1	I1983	I1983-L1985 PolarHBondContact O-N 3.48Å
1986	K	27.5	Very low	30.3	Very low	200 Å²	200	104.1 Å²	104.1	87%	0.87	58%	0.578	S	S	*	*			trans	-120.7	61	178.1	-72.1	-171.9	176.8	178	0	114.3
1987	S	26.4	Very low	29.8	Very low	103 Å²	103	102.1 Å²	102.1	72%	0.72	57%	0.565	S	S	*	*			trans	-91.6	148	143.2	62.5	0	0	0	0	108.6
1988	T	30.6	Very low	29.6	Very low	134 Å²	134	107.3 Å²	107.3	82%	0.822	58%	0.582	S	S	*	*	S	Bend	trans	72.3	144.3	-168.3	76.6	0	0	0	0	115.9
1989	H	27.1	Very low	29.3	Very low	185 Å²	185	110.5 Å²	110.5	86%	0.856	59%	0.594	S	S	*	*			trans	-91.1	140.6	-175.8	-62.6	-109.2	0	0	0	111.9
1990	T	30.7	Very low	29.3	Very low	135 Å²	135	113.2 Å²	113.2	83%	0.828	60%	0.604	S	S	*	*			trans	-175.3	157	132.9	15.1	0	0	0	0	111.8
1991	N	26.9	Very low	29.3	Very low	161 Å²	161	112.1 Å²	112.1	86%	0.861	60%	0.598	S	S	*	*			trans	-75.9	127.9	171.2	-77.2	-13.4	0	0	0	110.6
1992	I	27.5	Very low	29.2	Very low	112 Å²	112	114.4 Å²	114.4	57%	0.574	60%	0.6	S	S	*	*			trans	-137.3	106.1	157.2	-60.5	-174.6	0	0	0	107.8	S1997 I2001	I1992-S1997 VanDerWaalsContact CG2-OG 3.28Å; I1992-S1997 WeakPolarHBondContact CG2-OG 3.23Å; I1992-I2001 HydrophobicContact CD1-CD1 3.74Å; I1992-I2001 HydrophobicContact CG2-CD1 3.62Å
1993	S	26.1	Very low	29.5	Very low	50 Å²	50	113.4 Å²	113.4	35%	0.35	59%	0.591	S	S	.	*			trans	-102	164.5	168.1	48.5	0	0	0	0	110.3	F736 S1997	F736-S1993 WeakPolarHBondContact O-CB 3.44Å; S1993-S1997 PolarHBondContact O-OG 3.31Å
1994	S	28.2	Very low	29.9	Very low	48 Å²	48	111 Å²	111	34%	0.336	58%	0.58	S	S	.	*			trans	78.5	127.7	-178.7	84	0	0	0	0	116.8	P735 Q1996 S1997	P735-S1994 VanDerWaalsContact O-CA 3.32Å; P735-S1994 WeakPolarHBondContact O-CA 3.41Å; P735-S1994 PolarHBondContact O-N 2.89Å; S1994-Q1996 PolarHBondContact O-N 3.36Å; S1994-S1997 WeakPolarHBondContact O-CB 3.1Å; S1994-S1997 PolarHBondContact O-N 3.19Å; S1994-S1997 PolarHBondContact O-OG 3.09Å; S1994-S1997 WeakPolarHBondContact OG-CB 3.44Å; S1994-S1997 PolarHBondContact OG-N 3.07Å
1995	I	28	Very low	30.2	Very low	112 Å²	112	112.8 Å²	112.8	57%	0.574	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-3.4	168.7	-72.9	173.2	0	0	0	112.2	P735 S1997	P735-I1995 HydrophobicContact CB-CB 4.4Å; P735-I1995 HydrophobicContact CB-CD1 4.43Å; P735-I1995 HydrophobicContact CB-CG1 4.46Å; I1995-S1997 VanDerWaalsContact C-N 3.28Å
1996	Q	29.6	Very low	30.5	Very low	170 Å²	170	111.4 Å²	111.4	79%	0.794	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-28.8	157.4	-75.3	-174.7	-27	0	0	111.6	S1994 Y1998 Q1999 Q2000	S1994-Q1996 PolarHBondContact O-N 3.36Å; Q1996-Y1998 VanDerWaalsContact C-N 3.28Å; Q1996-Y1998 PolarHBondContact O-N 2.9Å; Q1996-Q1999 PolarHBondContact O-N 3.44Å; Q1996-Q2000 PolarHBondContact O-N 2.87Å; Q1996-Q2000 VanDerWaalsContact O-N 3.14Å
1997	S	30.6	Very low	30.9	Very low	18 Å²	18	108.5 Å²	108.5	13%	0.126	56%	0.564	C	S	.	*	H	α-helix	trans	-71.9	-13.3	177	78.9	0	0	0	0	114.4	I1992 S1993 S1994 I1995 Q1999 Q2000 I2001	I1992-S1997 VanDerWaalsContact CG2-OG 3.28Å; I1992-S1997 WeakPolarHBondContact CG2-OG 3.23Å; S1993-S1997 PolarHBondContact O-OG 3.31Å; S1994-S1997 WeakPolarHBondContact O-CB 3.1Å; S1994-S1997 PolarHBondContact O-N 3.19Å; S1994-S1997 PolarHBondContact O-OG 3.09Å; S1994-S1997 WeakPolarHBondContact OG-CB 3.44Å; S1994-S1997 PolarHBondContact OG-N 3.07Å; I1995-S1997 VanDerWaalsContact C-N 3.28Å; S1997-Q1999 VanDerWaalsContact C-N 3.3Å; S1997-Q1999 PolarHBondContact O-N 3.46Å; S1997-Q2000 PolarHBondContact O-N 2.04Å; S1997-I2001 WeakPolarHBondContact O-CB 2.95Å; S1997-I2001 VanDerWaalsContact O-CD1 3.28Å; S1997-I2001 WeakPolarHBondContact O-CD1 3.32Å; S1997-I2001 WeakPolarHBondContact O-CG1 3.02Å; S1997-I2001 PolarHBondContact O-N 2.04Å
1998	Y	28.5	Very low	31.2	Very low	135 Å²	135	113.4 Å²	113.4	53%	0.529	57%	0.568	S	S	.	*	H	α-helix	trans	-68.3	-33.5	173.8	-138.6	-79.9	0	0	0	111.7	Q1996 Y2002 Y2059	Q1996-Y1998 VanDerWaalsContact C-N 3.28Å; Q1996-Y1998 PolarHBondContact O-N 2.9Å; Y1998-Y2002 WeakPolarHBondContact O-CB 3.41Å; Y1998-Y2002 PolarHBondContact O-N 2.03Å; Y1998-Y2002 VanDerWaalsContact O-N 3.14Å; Y1998-Y2059 HydrophobicContact CD1-CE1 4.08Å; Y1998-Y2059 HydrophobicContact CE1-CE1 4.18Å
1999	Q	31.3	Very low	31.1	Very low	130 Å²	130	113.6 Å²	113.6	61%	0.607	56%	0.564	S	S	*	*	H	α-helix	trans	-80.4	-35.3	169	-79.1	179.3	-33.4	0	0	112.3	Q1996 S1997 Y2002 N2003	Q1996-Q1999 PolarHBondContact O-N 3.44Å; S1997-Q1999 VanDerWaalsContact C-N 3.3Å; S1997-Q1999 PolarHBondContact O-N 3.46Å; Q1999-Y2002 PolarHBondContact O-N 3.42Å; Q1999-N2003 WeakPolarHBondContact O-CB 3.34Å; Q1999-N2003 PolarHBondContact O-N 3.31Å; Q1999-N2003 PolarHBondContact O-ND2 3.43Å
2000	Q	34.9	Very low	31.2	Very low	102 Å²	102	111.2 Å²	111.2	48%	0.477	56%	0.557	S	S	.	*	H	α-helix	trans	-63	-45	174	-165.4	60.2	50	0	0	111.6	Q1996 S1997 N2003 D2004	Q1996-Q2000 PolarHBondContact O-N 2.87Å; Q1996-Q2000 VanDerWaalsContact O-N 3.14Å; S1997-Q2000 PolarHBondContact O-N 2.04Å; Q2000-N2003 CarbonylContact O-C 3.47Å; Q2000-N2003 WeakPolarHBondContact O-CA 3.2Å; Q2000-N2003 WeakPolarHBondContact O-CB 3.37Å; Q2000-N2003 PolarHBondContact O-N 2.85Å; Q2000-D2004 PolarHBondContact NE2-OD1 2.98Å; Q2000-D2004 WeakPolarHBondContact O-CB 3.46Å; Q2000-D2004 PolarHBondContact O-N 2.77Å
2001	I	33.9	Very low	31.3	Very low	51 Å²	51	112.8 Å²	112.8	26%	0.262	56%	0.555	S	S	.	*	H	α-helix	trans	-69.9	-36.7	178	-66.1	159.7	0	0	0	111.2	I1992 S1997 N2003 D2004 L2005	I1992-I2001 HydrophobicContact CD1-CD1 3.74Å; I1992-I2001 HydrophobicContact CG2-CD1 3.62Å; S1997-I2001 WeakPolarHBondContact O-CB 2.95Å; S1997-I2001 VanDerWaalsContact O-CD1 3.28Å; S1997-I2001 WeakPolarHBondContact O-CD1 3.32Å; S1997-I2001 WeakPolarHBondContact O-CG1 3.02Å; S1997-I2001 PolarHBondContact O-N 2.04Å; I2001-N2003 PolarHBondContact O-N 3.06Å; I2001-D2004 PolarHBondContact O-N 2.78Å; I2001-L2005 HydrophobicContact CG2-CD1 3.64Å; I2001-L2005 HydrophobicContact CG2-CG 4Å; I2001-L2005 WeakPolarHBondContact O-CB 3.37Å; I2001-L2005 WeakPolarHBondContact O-CG 3.5Å; I2001-L2005 PolarHBondContact O-N 2.96Å
2002	Y	32	Very low	31.6	Very low	108 Å²	108	109.6 Å²	109.6	42%	0.424	55%	0.545	S	S	.	.	H	α-helix	trans	-60.3	-32.8	168.8	-178.6	-93.5	0	0	0	111.7	Y1998 Q1999 N2006 I2063	Y1998-Y2002 WeakPolarHBondContact O-CB 3.41Å; Y1998-Y2002 PolarHBondContact O-N 2.03Å; Y1998-Y2002 VanDerWaalsContact O-N 3.14Å; Q1999-Y2002 PolarHBondContact O-N 3.42Å; Y2002-N2006 WeakPolarHBondContact O-CB 3.36Å; Y2002-N2006 PolarHBondContact O-ND2 3.48Å; Y2002-I2063 HydrophobicContact CD2-CD1 4.27Å; Y2002-I2063 HydrophobicContact CE2-CD1 4.18Å; Y2002-I2063 HydrophobicContact CE2-CG2 4.08Å
2003	N	36.6	Very low	31.7	Very low	78 Å²	78	111.1 Å²	111.1	42%	0.417	55%	0.554	S	S	.	*	H	α-helix	trans	-79.4	-45.1	173.8	-65.4	-22.7	0	0	0	112.2	Q1999 Q2000 I2001 L2005 N2006 E2007	Q1999-N2003 WeakPolarHBondContact O-CB 3.34Å; Q1999-N2003 PolarHBondContact O-N 3.31Å; Q1999-N2003 PolarHBondContact O-ND2 3.43Å; Q2000-N2003 CarbonylContact O-C 3.47Å; Q2000-N2003 WeakPolarHBondContact O-CA 3.2Å; Q2000-N2003 WeakPolarHBondContact O-CB 3.37Å; Q2000-N2003 PolarHBondContact O-N 2.85Å; I2001-N2003 PolarHBondContact O-N 3.06Å; N2003-L2005 PolarHBondContact O-N 3.43Å; N2003-N2006 CarbonylContact O-C 3.52Å; N2003-N2006 WeakPolarHBondContact O-CA 3.22Å; N2003-N2006 WeakPolarHBondContact O-CB 3.09Å; N2003-N2006 PolarHBondContact O-N 3.37Å; N2003-E2007 PolarHBondContact O-N 3.31Å
2004	D	35.8	Very low	32	Very low	70 Å²	70	115.9 Å²	115.9	37%	0.374	57%	0.574	S	S	.	*	H	α-helix	trans	-64.5	-37.9	-178.4	-60.3	-18.6	0	0	0	111.6	Q2000 I2001 N2006 E2007 Y2008	Q2000-D2004 PolarHBondContact NE2-OD1 2.98Å; Q2000-D2004 WeakPolarHBondContact O-CB 3.46Å; Q2000-D2004 PolarHBondContact O-N 2.77Å; I2001-D2004 PolarHBondContact O-N 2.78Å; D2004-N2006 VanDerWaalsContact C-N 3.27Å; D2004-N2006 PolarHBondContact O-N 2.77Å; D2004-E2007 PolarHBondContact O-N 2.81Å; D2004-Y2008 PolarHBondContact O-N 3.47Å; D2004-Y2008 VanDerWaalsContact O-N 3.13Å
2005	L	35.1	Very low	32.2	Very low	137 Å²	137	118 Å²	118	72%	0.717	58%	0.582	S	S	*	*	H	α-helix	trans	-70.2	-20	171.3	-69.1	173.4	0	0	0	113	I2001 N2003	I2001-L2005 HydrophobicContact CG2-CD1 3.64Å; I2001-L2005 HydrophobicContact CG2-CG 4Å; I2001-L2005 WeakPolarHBondContact O-CB 3.37Å; I2001-L2005 WeakPolarHBondContact O-CG 3.5Å; I2001-L2005 PolarHBondContact O-N 2.96Å; N2003-L2005 PolarHBondContact O-N 3.43Å
2006	N	34.2	Very low	32.4	Very low	100 Å²	100	120.4 Å²	120.4	54%	0.535	59%	0.591	S	S	.	*	H	α-helix	trans	-92.4	-24.3	172.5	-86	-60.3	0	0	0	113.1	Y2002 N2003 D2004	Y2002-N2006 WeakPolarHBondContact O-CB 3.36Å; Y2002-N2006 PolarHBondContact O-ND2 3.48Å; N2003-N2006 CarbonylContact O-C 3.52Å; N2003-N2006 WeakPolarHBondContact O-CA 3.22Å; N2003-N2006 WeakPolarHBondContact O-CB 3.09Å; N2003-N2006 PolarHBondContact O-N 3.37Å; D2004-N2006 VanDerWaalsContact C-N 3.27Å; D2004-N2006 PolarHBondContact O-N 2.77Å
2007	E	34.6	Very low	32.4	Very low	140 Å²	140	119.8 Å²	119.8	65%	0.654	59%	0.592	S	S	*	*	H	α-helix	trans	-81.5	-42	177.2	-72.1	-156.9	108.5	0	0	112.4	N2003 D2004 N2009	N2003-E2007 PolarHBondContact O-N 3.31Å; D2004-E2007 PolarHBondContact O-N 2.81Å; E2007-N2009 PolarHBondContact O-N 3.07Å; E2007-N2009 PolarHBondContact O-ND2 3.44Å
2008	Y	32.7	Very low	32.3	Very low	205 Å²	205	122.3 Å²	122.3	80%	0.804	60%	0.604	S	S	*	*			trans	-86.2	72.9	-175.1	-92.2	-83.4	0	0	0	115.9	D2004 N2010	D2004-Y2008 PolarHBondContact O-N 3.47Å; D2004-Y2008 VanDerWaalsContact O-N 3.13Å; Y2008-N2010 PolarHBondContact O-N 3.24Å
2009	N	28.3	Very low	32.5	Very low	138 Å²	138	121.8 Å²	121.8	74%	0.738	61%	0.609	S	S	*	*			trans	-57.3	87.7	168.8	-78.6	-96.2	0	0	0	113.5	E2007	E2007-N2009 PolarHBondContact O-N 3.07Å; E2007-N2009 PolarHBondContact O-ND2 3.44Å
2010	N	30.3	Very low	32.5	Very low	135 Å²	135	121.5 Å²	121.5	72%	0.722	61%	0.608	S	S	*	*			trans	-151.7	29.4	169.3	-107.6	-42.8	0	0	0	118.9	Y2008 S2012	Y2008-N2010 PolarHBondContact O-N 3.24Å; N2010-S2012 VanDerWaalsContact C-N 3.34Å; N2010-S2012 PolarHBondContact O-N 2.04Å
2011	H	31.4	Very low	32.3	Very low	169 Å²	169	118.7 Å²	118.7	78%	0.782	60%	0.596	S	S	*	*			trans	55.4	9.5	130.3	-136.4	-49	0	0	0	122.4
2012	S	34.4	Very low	32.1	Very low	93 Å²	93	123.2 Å²	123.2	65%	0.65	61%	0.611	S	S	*	*	S	Bend	trans	-113.9	-30.8	-176.6	66.7	0	0	0	0	117.2	N2010	N2010-S2012 VanDerWaalsContact C-N 3.34Å; N2010-S2012 PolarHBondContact O-N 2.04Å
2013	L	29.9	Very low	32.1	Very low	145 Å²	145	121.7 Å²	121.7	76%	0.759	61%	0.613	S	S	*	*	S	Bend	trans	-84.7	-31.2	-176.6	-134.7	72.8	0	0	0	113.4	N2015	L2013-N2015 PolarHBondContact O-N 3.48Å
2014	L	32	Very low	31.8	Very low	149 Å²	149	121.5 Å²	121.5	78%	0.78	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	14.2	-177.3	-99.4	143.2	0	0	0	115.7
2015	N	32.1	Very low	31.5	Very low	92 Å²	92	122 Å²	122	49%	0.492	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122	18	-178.8	-77.4	-66	0	0	0	113.3	L2013	L2013-N2015 PolarHBondContact O-N 3.48Å
2016	Q	32.8	Very low	31.4	Very low	164 Å²	164	117.5 Å²	117.5	77%	0.766	59%	0.585	S	S	*	*	S	Bend	trans	-127.1	8.2	-177.6	-63.8	-164.5	-64.7	0	0	115.1
2017	L	28.2	Very low	31.4	Very low	156 Å²	156	116.1 Å²	116.1	82%	0.817	58%	0.575	S	S	*	*	S	Bend	trans	-125.6	135.3	172.6	-69.8	169.5	0	0	0	109.4	I2019	L2017-I2019 PolarHBondContact O-N 2.66Å
2018	N	29.3	Very low	31.3	Very low	72 Å²	72	111.1 Å²	111.1	39%	0.385	55%	0.553	S	S	.	*			trans	-73	116.8	-179.4	-85	-26.8	0	0	0	111.2	N1705 E2020 D2021	N1705-N2018 VanDerWaalsContact CG-ND2 3.31Å; N1705-N2018 VanDerWaalsContact ND2-CG 3.34Å; N1705-N2018 PolarHBondContact ND2-ND2 2.84Å; N1705-N2018 PolarHBondContact ND2-OD1 3.25Å; N1705-N2018 PolarHBondContact OD1-ND2 3.45Å; N1705-N2018 PolarHBondContact OD1-OD1 2.9Å; N2018-E2020 VanDerWaalsContact C-N 3.28Å; N2018-E2020 PolarHBondContact O-N 2.93Å; N2018-D2021 HydrophobicContact CB-CB 4.47Å; N2018-D2021 WeakPolarHBondContact CB-OD2 3.48Å; N2018-D2021 PolarHBondContact ND2-OD2 2.89Å
2019	I	32.7	Very low	31.5	Very low	123 Å²	123	103.6 Å²	103.6	63%	0.631	53%	0.526	S	S	*	.	H	α-helix	trans	-74.6	-21.6	176.9	-64.2	171.3	0	0	0	111.5	L2017 T2023	L2017-I2019 PolarHBondContact O-N 2.66Å; I2019-T2023 PolarHBondContact O-N 3.31Å; I2019-T2023 PolarHBondContact O-OG1 2.86Å
2020	E	31.6	Very low	31.9	Very low	124 Å²	124	101.4 Å²	101.4	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-69.6	-35.5	177.8	-63.2	179.6	141.3	0	0	113	N2018 T2023 Q2024	N2018-E2020 VanDerWaalsContact C-N 3.28Å; N2018-E2020 PolarHBondContact O-N 2.93Å; E2020-T2023 WeakPolarHBondContact CA-OG1 3.24Å; E2020-T2023 PolarHBondContact O-OG1 2.85Å; E2020-Q2024 PolarHBondContact O-N 2.99Å
2021	D	30.2	Very low	32.4	Very low	44 Å²	44	96.3 Å²	96.3	24%	0.235	48%	0.481	C	S	.	.	H	α-helix	trans	-73.6	-35.1	178	-63.9	-55.3	0	0	0	111.4	N1708 N2018 Q2024 Y2025	N1708-D2021 WeakPolarHBondContact CB-OD1 3.49Å; N1708-D2021 PolarHBondContact ND2-OD1 2.99Å; N1708-D2021 PolarHBondContact ND2-OD2 2.87Å; N2018-D2021 HydrophobicContact CB-CB 4.47Å; N2018-D2021 WeakPolarHBondContact CB-OD2 3.48Å; N2018-D2021 PolarHBondContact ND2-OD2 2.89Å; D2021-Q2024 PolarHBondContact O-N 2.94Å; D2021-Y2025 PolarHBondContact O-N 2.84Å
2022	Y	30.3	Very low	32.8	Very low	145 Å²	145	90.6 Å²	90.6	57%	0.569	45%	0.453	S	S	*	.	H	α-helix	trans	-70	-33.2	178.9	-158.1	-95.5	0	0	0	112.3	Y2025 T2026	Y2022-Y2025 PolarHBondContact O-N 2.04Å; Y2022-T2026 HydrophobicContact CD1-CG2 4.15Å; Y2022-T2026 HydrophobicContact CE1-CG2 3.98Å; Y2022-T2026 PolarHBondContact O-N 2.97Å; Y2022-T2026 PolarHBondContact O-OG1 3.18Å
2023	T	31.4	Very low	32.9	Very low	76 Å²	76	88 Å²	88	47%	0.466	43%	0.431	S	S	.	.	H	α-helix	trans	-70.4	-34.2	175.4	33.3	0	0	0	0	112.8	I2019 E2020 Y2025 T2026 Q2027	I2019-T2023 PolarHBondContact O-N 3.31Å; I2019-T2023 PolarHBondContact O-OG1 2.86Å; E2020-T2023 WeakPolarHBondContact CA-OG1 3.24Å; E2020-T2023 PolarHBondContact O-OG1 2.85Å; T2023-Y2025 VanDerWaalsContact C-N 3.32Å; T2023-T2026 PolarHBondContact O-OG1 3.38Å; T2023-Q2027 WeakPolarHBondContact O-CB 3.47Å; T2023-Q2027 PolarHBondContact O-N 3.4Å
2024	Q	30.1	Very low	33.3	Very low	74 Å²	74	83.5 Å²	83.5	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-66.5	-35.2	169.2	-68.9	-165.8	-14.5	0	0	112	N1708 E2020 D2021 M2028	N1708-Q2024 PolarHBondContact O-OE1 2.92Å; E2020-Q2024 PolarHBondContact O-N 2.99Å; D2021-Q2024 PolarHBondContact O-N 2.94Å; Q2024-M2028 WeakPolarHBondContact O-CB 3.38Å; Q2024-M2028 PolarHBondContact O-N 3.09Å
2025	Y	30.4	Very low	33.5	Very low	81 Å²	81	77.3 Å²	77.3	32%	0.318	38%	0.376	S	S	.	.	H	α-helix	trans	-69.9	-41.3	177.5	-159.4	-90.7	0	0	0	112.9	H1710 D2021 Y2022 T2023 N2029	H1710-Y2025 AromaticContact ND1-CD2 3.82Å; D2021-Y2025 PolarHBondContact O-N 2.84Å; Y2022-Y2025 PolarHBondContact O-N 2.04Å; T2023-Y2025 VanDerWaalsContact C-N 3.32Å; Y2025-N2029 PolarHBondContact O-N 3.46Å; Y2025-N2029 VanDerWaalsContact O-N 3.17Å
2026	T	31.4	Very low	33.7	Very low	42 Å²	42	74.2 Å²	74.2	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-36.8	174.4	50.6	0	0	0	0	112.2	Y2022 T2023 N2029 Y2030	Y2022-T2026 HydrophobicContact CD1-CG2 4.15Å; Y2022-T2026 HydrophobicContact CE1-CG2 3.98Å; Y2022-T2026 PolarHBondContact O-N 2.97Å; Y2022-T2026 PolarHBondContact O-OG1 3.18Å; T2023-T2026 PolarHBondContact O-OG1 3.38Å; T2026-N2029 PolarHBondContact O-N 3.47Å; T2026-Y2030 PolarHBondContact O-N 3.18Å
2027	Q	35.8	Very low	33.7	Very low	71 Å²	71	71 Å²	71	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-68	-40.8	174.6	-161.8	156.3	12	0	0	111.5	W1687 D1688 T2023 N2029 Y2030 D2031	W1687-Q2027 PolarHBondContact O-NE2 3.42Å; W1687-Q2027 VanDerWaalsContact O-NE2 3.1Å; D1688-Q2027 PolarHBondContact OD2-NE2 3.2Å; T2023-Q2027 WeakPolarHBondContact O-CB 3.47Å; T2023-Q2027 PolarHBondContact O-N 3.4Å; Q2027-N2029 PolarHBondContact O-N 2.85Å; Q2027-Y2030 CarbonylContact O-C 3.58Å; Q2027-Y2030 WeakPolarHBondContact O-CA 3.42Å; Q2027-Y2030 VanDerWaalsContact O-CB 3.29Å; Q2027-Y2030 WeakPolarHBondContact O-CB 3.17Å; Q2027-Y2030 PolarHBondContact O-N 2.7Å; Q2027-D2031 WeakPolarHBondContact O-CB 3.29Å; Q2027-D2031 PolarHBondContact O-N 3.42Å
2028	M	32.2	Very low	34.2	Very low	36 Å²	36	68.2 Å²	68.2	18%	0.177	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-28.4	173.8	-163.4	175.1	71.6	0	0	113	V1647 H1710 P1712 Q2024 W2032	V1647-M2028 HydrophobicContact CG2-CE 3.91Å; H1710-M2028 HydrophobicContact CB-CE 4.28Å; H1710-M2028 HydrophobicContact CB-SD 4.07Å; P1712-M2028 HydrophobicContact CB-SD 4.46Å; P1712-M2028 HydrophobicContact CG-SD 4.44Å; Q2024-M2028 WeakPolarHBondContact O-CB 3.38Å; Q2024-M2028 PolarHBondContact O-N 3.09Å; M2028-W2032 WeakPolarHBondContact O-CB 3.44Å; M2028-W2032 PolarHBondContact O-N 2.88Å; M2028-W2032 VanDerWaalsContact O-N 3.14Å
2029	N	35.9	Very low	34.5	Very low	47 Å²	47	65.1 Å²	65.1	25%	0.251	31%	0.313	S	S	.	.	H	α-helix	trans	-75.9	-32.7	168.5	-78.5	-29.3	0	0	0	113	Y2025 T2026 Q2027 D2031 W2032 L2033 Y2057	Y2025-N2029 PolarHBondContact O-N 3.46Å; Y2025-N2029 VanDerWaalsContact O-N 3.17Å; T2026-N2029 PolarHBondContact O-N 3.47Å; Q2027-N2029 PolarHBondContact O-N 2.85Å; N2029-D2031 VanDerWaalsContact C-N 3.33Å; N2029-W2032 PolarHBondContact O-N 2.94Å; N2029-L2033 WeakPolarHBondContact O-CB 3.01Å; N2029-L2033 PolarHBondContact O-N 3.49Å; N2029-Y2057 PolarHBondContact O-OH 2.68Å
2030	Y	38	Very low	34.6	Very low	91 Å²	91	59.8 Å²	59.8	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-39.2	174.4	-159.3	-101.5	0	0	0	111.1	T2026 Q2027 L2033 N2034 Y2057 I2061	T2026-Y2030 PolarHBondContact O-N 3.18Å; Q2027-Y2030 CarbonylContact O-C 3.58Å; Q2027-Y2030 WeakPolarHBondContact O-CA 3.42Å; Q2027-Y2030 VanDerWaalsContact O-CB 3.29Å; Q2027-Y2030 WeakPolarHBondContact O-CB 3.17Å; Q2027-Y2030 PolarHBondContact O-N 2.7Å; Y2030-L2033 PolarHBondContact O-N 3.49Å; Y2030-N2034 VanDerWaalsContact CD1-ND2 3.25Å; Y2030-N2034 WeakPolarHBondContact CD1-ND2 3Å; Y2030-N2034 WeakPolarHBondContact CE1-ND2 2.98Å; Y2030-N2034 WeakPolarHBondContact O-CB 3.35Å; Y2030-N2034 PolarHBondContact O-N 2.83Å; Y2030-N2034 PolarHBondContact O-ND2 2.9Å; Y2030-Y2057 WeakPolarHBondContact CA-OH 3.47Å; Y2030-Y2057 HydrophobicContact CD2-CD1 4.3Å; Y2030-Y2057 AromaticContact CD2-CE1 3.39Å; Y2030-Y2057 HydrophobicContact CD2-CE1 3.39Å; Y2030-Y2057 AromaticContact CD2-CZ 3.97Å; Y2030-Y2057 HydrophobicContact CE2-CD1 4.36Å; Y2030-Y2057 AromaticContact CE2-CE1 3.86Å; Y2030-Y2057 HydrophobicContact CE2-CE1 3.86Å; Y2030-Y2057 HydrophobicContact CG-CE1 4.31Å; Y2030-Y2057 PolarHBondContact N-OH 3.3Å; Y2030-I2061 HydrophobicContact CD2-CD1 3.54Å; Y2030-I2061 HydrophobicContact CE2-CD1 3.99Å
2031	D	39.9	Very low	34.6	Very low	29 Å²	29	56 Å²	56	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-63.9	-41.6	173.7	-63.1	-1.6	0	0	0	110.8	W1687 Q2027 N2029 N2035	W1687-D2031 VanDerWaalsContact CD1-CG 3.42Å; W1687-D2031 HydrophobicContact CD2-CB 3.88Å; W1687-D2031 VanDerWaalsContact CE2-CB 3.41Å; W1687-D2031 HydrophobicContact CE3-CB 4.29Å; W1687-D2031 HydrophobicContact CG-CB 4.44Å; W1687-D2031 VanDerWaalsContact CG-CG 3.46Å; W1687-D2031 VanDerWaalsContact CH2-CA 3.48Å; W1687-D2031 HydrophobicContact CH2-CB 4.01Å; W1687-D2031 WeakPolarHBondContact CH2-O 3.35Å; W1687-D2031 HydrophobicContact CZ2-CB 3.47Å; W1687-D2031 VanDerWaalsContact CZ2-CB 3.47Å; W1687-D2031 WeakPolarHBondContact CZ2-O 3Å; W1687-D2031 HydrophobicContact CZ3-CB 4.38Å; W1687-D2031 VanDerWaalsContact NE1-CG 3.33Å; W1687-D2031 PolarHBondContact NE1-OD2 2.87Å; Q2027-D2031 WeakPolarHBondContact O-CB 3.29Å; Q2027-D2031 PolarHBondContact O-N 3.42Å; N2029-D2031 VanDerWaalsContact C-N 3.33Å; D2031-N2035 WeakPolarHBondContact O-CB 3.32Å; D2031-N2035 PolarHBondContact O-N 3.02Å; D2031-N2035 PolarHBondContact O-ND2 3.02Å
2032	W	39.2	Very low	35	Very low	49 Å²	49	54.8 Å²	54.8	19%	0.186	26%	0.261	C	S	.	.	H	α-helix	trans	-69.8	-42	176.2	-177.2	71	0	0	0	112.6	C1977 L1978 T1981 M2028 N2029 N2035 L2036	C1977-W2032 HydrophobicContact CB-CH2 3.95Å; C1977-W2032 HydrophobicContact CB-CZ2 3.84Å; L1978-W2032 HydrophobicContact CD2-CH2 4.33Å; L1978-W2032 HydrophobicContact CD2-CZ3 4.19Å; T1981-W2032 HydrophobicContact CG2-CH2 4.18Å; T1981-W2032 HydrophobicContact CG2-CZ3 4.5Å; M2028-W2032 WeakPolarHBondContact O-CB 3.44Å; M2028-W2032 PolarHBondContact O-N 2.88Å; M2028-W2032 VanDerWaalsContact O-N 3.14Å; N2029-W2032 PolarHBondContact O-N 2.94Å; W2032-N2035 WeakPolarHBondContact O-CB 3.08Å; W2032-N2035 PolarHBondContact O-N 2.86Å; W2032-L2036 HydrophobicContact CD2-CD1 3.89Å; W2032-L2036 HydrophobicContact CE3-CD1 3.92Å; W2032-L2036 HydrophobicContact CH2-CD1 4.01Å; W2032-L2036 HydrophobicContact CZ2-CD1 3.97Å; W2032-L2036 HydrophobicContact CZ3-CD1 3.97Å; W2032-L2036 WeakPolarHBondContact O-CG 3.25Å; W2032-L2036 PolarHBondContact O-N 3.26Å
2033	L	38.4	Very low	35.3	Very low	37 Å²	37	52.5 Å²	52.5	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-75.6	-33.8	178.7	-94	159.6	0	0	0	113.9	N2029 Y2030 N2035 L2036 Y2037 Y2057	N2029-L2033 WeakPolarHBondContact O-CB 3.01Å; N2029-L2033 PolarHBondContact O-N 3.49Å; Y2030-L2033 PolarHBondContact O-N 3.49Å; L2033-N2035 VanDerWaalsContact C-N 3.33Å; L2033-L2036 HydrophobicContact CD2-CB 4.45Å; L2033-L2036 HydrophobicContact CD2-CD1 3.94Å; L2033-L2036 HydrophobicContact CG-CD1 4.25Å; L2033-L2036 WeakPolarHBondContact O-CB 3.48Å; L2033-L2036 PolarHBondContact O-N 3.48Å; L2033-Y2037 WeakPolarHBondContact O-CB 3.29Å; L2033-Y2037 PolarHBondContact O-N 3.24Å; L2033-Y2057 HydrophobicContact CB-CD1 4.44Å; L2033-Y2057 HydrophobicContact CB-CE1 3.87Å; L2033-Y2057 HydrophobicContact CD1-CD1 4.12Å; L2033-Y2057 HydrophobicContact CD1-CD2 3.59Å; L2033-Y2057 HydrophobicContact CD1-CE1 3.81Å; L2033-Y2057 HydrophobicContact CD1-CE2 3.31Å; L2033-Y2057 HydrophobicContact CD1-CG 4.03Å; L2033-Y2057 VanDerWaalsContact CD1-CZ 3.43Å; L2033-Y2057 HydrophobicContact CG-CE1 4.47Å
2034	N	37.4	Very low	35.5	Very low	52 Å²	52	54.2 Å²	54.2	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-68.7	-33	168.4	-90.4	-61.4	0	0	0	112	W1687 Y2030 Y2037 V2038	W1687-N2034 HydrophobicContact CH2-CB 4.05Å; W1687-N2034 HydrophobicContact CZ3-CB 3.62Å; Y2030-N2034 VanDerWaalsContact CD1-ND2 3.25Å; Y2030-N2034 WeakPolarHBondContact CD1-ND2 3Å; Y2030-N2034 WeakPolarHBondContact CE1-ND2 2.98Å; Y2030-N2034 WeakPolarHBondContact O-CB 3.35Å; Y2030-N2034 PolarHBondContact O-N 2.83Å; Y2030-N2034 PolarHBondContact O-ND2 2.9Å; N2034-Y2037 PolarHBondContact O-N 3.23Å; N2034-V2038 WeakPolarHBondContact O-CB 3.02Å; N2034-V2038 WeakPolarHBondContact O-CG2 3.04Å; N2034-V2038 PolarHBondContact O-N 2.02Å
2035	N	36.3	Very low	35.8	Very low	18 Å²	18	53.7 Å²	53.7	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-55.4	165.8	-88.9	-70.4	0	0	0	109.8	W1687 P1765 D2031 W2032 L2033 Y2037 V2038 N2039	W1687-N2035 WeakPolarHBondContact CH2-ND2 3.23Å; W1687-N2035 VanDerWaalsContact CZ2-ND2 3.32Å; W1687-N2035 WeakPolarHBondContact CZ2-ND2 3.31Å; P1765-N2035 HydrophobicContact CB-CB 4.41Å; P1765-N2035 HydrophobicContact CG-CB 4.15Å; D2031-N2035 WeakPolarHBondContact O-CB 3.32Å; D2031-N2035 PolarHBondContact O-N 3.02Å; D2031-N2035 PolarHBondContact O-ND2 3.02Å; W2032-N2035 WeakPolarHBondContact O-CB 3.08Å; W2032-N2035 PolarHBondContact O-N 2.86Å; L2033-N2035 VanDerWaalsContact C-N 3.33Å; N2035-Y2037 PolarHBondContact O-N 2.01Å; N2035-Y2037 VanDerWaalsContact O-N 3.11Å; N2035-V2038 PolarHBondContact O-N 3.29Å; N2035-N2039 WeakPolarHBondContact O-CB 3.02Å; N2035-N2039 PolarHBondContact O-N 3.14Å; N2035-N2039 PolarHBondContact O-ND2 3.45Å
2036	L	35.4	Very low	35.9	Very low	28 Å²	28	53.7 Å²	53.7	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-52	-35.4	176.4	-75	161.9	0	0	0	113.4	L1974 W2032 L2033 N2039	L1974-L2036 HydrophobicContact CD2-CD2 4.01Å; W2032-L2036 HydrophobicContact CD2-CD1 3.89Å; W2032-L2036 HydrophobicContact CE3-CD1 3.92Å; W2032-L2036 HydrophobicContact CH2-CD1 4.01Å; W2032-L2036 HydrophobicContact CZ2-CD1 3.97Å; W2032-L2036 HydrophobicContact CZ3-CD1 3.97Å; W2032-L2036 WeakPolarHBondContact O-CG 3.25Å; W2032-L2036 PolarHBondContact O-N 3.26Å; L2033-L2036 HydrophobicContact CD2-CB 4.45Å; L2033-L2036 HydrophobicContact CD2-CD1 3.94Å; L2033-L2036 HydrophobicContact CG-CD1 4.25Å; L2033-L2036 WeakPolarHBondContact O-CB 3.48Å; L2033-L2036 PolarHBondContact O-N 3.48Å; L2036-N2039 CarbonylContact O-C 3.55Å; L2036-N2039 PolarHBondContact O-N 3.31Å
2037	Y	33	Very low	36.2	Very low	96 Å²	96	59.6 Å²	59.6	38%	0.376	30%	0.298	S	S	.	.	H	α-helix	trans	-70.5	-49.9	176.7	-170.8	-90.7	0	0	0	113.7	L2033 N2034 N2035 N2039 I2042 I2050 L2054	L2033-Y2037 WeakPolarHBondContact O-CB 3.29Å; L2033-Y2037 PolarHBondContact O-N 3.24Å; N2034-Y2037 PolarHBondContact O-N 3.23Å; N2035-Y2037 PolarHBondContact O-N 2.01Å; N2035-Y2037 VanDerWaalsContact O-N 3.11Å; Y2037-N2039 PolarHBondContact O-N 2.85Å; Y2037-N2039 VanDerWaalsContact O-N 3.14Å; Y2037-I2042 HydrophobicContact CD2-CG2 4.35Å; Y2037-I2042 HydrophobicContact CE2-CG2 4.43Å; Y2037-I2050 HydrophobicContact CE2-CG2 3.86Å; Y2037-L2054 HydrophobicContact CE2-CD1 4.43Å
2038	V	38.7	Very low	36.4	Very low	97 Å²	97	63.7 Å²	63.7	59%	0.588	32%	0.317	S	S	*	.	H	α-helix	trans	-59.5	-24.2	171.9	171	0	0	0	0	111	N2034 N2035	N2034-V2038 WeakPolarHBondContact O-CB 3.02Å; N2034-V2038 WeakPolarHBondContact O-CG2 3.04Å; N2034-V2038 PolarHBondContact O-N 2.02Å; N2035-V2038 PolarHBondContact O-N 3.29Å
2039	N	36.3	Very low	36.7	Very low	7 Å²	7	68.7 Å²	68.7	4%	0.037	34%	0.335	C	S	.	.	S	Bend	trans	-107.3	71.4	-169.9	-64.1	-27.7	0	0	0	112.8	L1766 R1776 N2035 L2036 Y2037	L1766-N2039 WeakPolarHBondContact CD1-OD1 3.39Å; L1766-N2039 HydrophobicContact CD2-CB 3.38Å; L1766-N2039 VanDerWaalsContact CD2-ND2 3.33Å; L1766-N2039 WeakPolarHBondContact CD2-ND2 3.39Å; L1766-N2039 HydrophobicContact CG-CB 4.35Å; L1766-N2039 WeakPolarHBondContact CG-ND2 3.5Å; R1776-N2039 VanDerWaalsContact CZ-O 3.31Å; R1776-N2039 VanDerWaalsContact NH1-CA 3.3Å; R1776-N2039 PolarHBondContact NH1-O 3.45Å; R1776-N2039 PolarHBondContact NH2-O 2.65Å; N2035-N2039 WeakPolarHBondContact O-CB 3.02Å; N2035-N2039 PolarHBondContact O-N 3.14Å; N2035-N2039 PolarHBondContact O-ND2 3.45Å; L2036-N2039 CarbonylContact O-C 3.55Å; L2036-N2039 PolarHBondContact O-N 3.31Å; Y2037-N2039 PolarHBondContact O-N 2.85Å; Y2037-N2039 VanDerWaalsContact O-N 3.14Å
2040	S	34.3	Very low	37.1	Very low	11 Å²	11	67.7 Å²	67.7	8%	0.077	33%	0.329	C	S	.	.	S	Bend	trans	3	116.7	156.9	44	0	0	0	0	117.2	R1776 F1779	R1776-S2040 WeakPolarHBondContact CG-O 3.32Å; R1776-S2040 PolarHBondContact NE-O 3.11Å; R1776-S2040 PolarHBondContact NH1-O 3.31Å; R1776-S2040 PolarHBondContact NH1-OG 2.9Å; R1776-S2040 PolarHBondContact NH2-O 3.13Å; R1776-S2040 VanDerWaalsContact NH2-O 3.1Å; F1779-S2040 VanDerWaalsContact CD2-CB 3.42Å
2041	R	32.6	Very low	37.3	Very low	45 Å²	45	68.2 Å²	68.2	17%	0.17	34%	0.335	C	S	.	.	S	Bend		-118.7	14.9	60.1	-67.3	-172	171.3	-162.9	-2.4	116.1	I1775 T1966 N2043 L2044	I1775-R2041 VanDerWaalsContact O-CZ 3.23Å; I1775-R2041 PolarHBondContact O-NE 2.88Å; I1775-R2041 PolarHBondContact O-NH2 3.05Å; T1966-R2041 VanDerWaalsContact C-NH1 3.25Å; T1966-R2041 PolarHBondContact O-NH1 2.82Å; T1966-R2041 PolarHBondContact OG1-NH1 3.04Å; T1966-R2041 PolarHBondContact OG1-NH2 2.89Å; T1966-R2041 VanDerWaalsContact OG1-NH2 3.14Å; R2041-N2043 PolarHBondContact O-N 2.99Å; R2041-N2043 VanDerWaalsContact O-N 3.11Å; R2041-L2044 PolarHBondContact O-N 3.1Å
2042	I	37.2	Very low	37.6	Very low	19 Å²	19	69.8 Å²	69.8	10%	0.097	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.3	-28.6	-176.9	-68.6	178	0	0	0	112.9	Y2037 L2044 L2045 I2050	Y2037-I2042 HydrophobicContact CD2-CG2 4.35Å; Y2037-I2042 HydrophobicContact CE2-CG2 4.43Å; I2042-L2044 PolarHBondContact O-N 3.08Å; I2042-L2044 VanDerWaalsContact O-N 3.09Å; I2042-L2045 HydrophobicContact CG1-CD1 4.42Å; I2042-L2045 HydrophobicContact CG2-CD1 4.39Å; I2042-L2045 WeakPolarHBondContact O-CB 3.37Å; I2042-L2045 PolarHBondContact O-N 2.93Å; I2042-I2050 HydrophobicContact CG2-CD1 4.27Å; I2042-I2050 HydrophobicContact CG2-CG1 3.97Å; I2042-I2050 HydrophobicContact CG2-CG2 4.29Å
2043	N	36.9	Very low	37.7	Very low	96 Å²	96	71 Å²	71	51%	0.513	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-69.7	2	174.6	-64.1	-5.6	0	0	0	115.3	F1779 R2041	F1779-N2043 HydrophobicContact CE1-CB 3.75Å; F1779-N2043 HydrophobicContact CZ-CB 3.73Å; R2041-N2043 PolarHBondContact O-N 2.99Å; R2041-N2043 VanDerWaalsContact O-N 3.11Å
2044	L	36.1	Very low	38	Very low	112 Å²	112	72 Å²	72	59%	0.586	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-106.6	1.1	168.7	-75	167.7	0	0	0	112.8	F1779 R2041 I2042	F1779-L2044 HydrophobicContact CE2-CD1 4.17Å; F1779-L2044 HydrophobicContact CE2-CG 4.34Å; F1779-L2044 HydrophobicContact CZ-CD1 4.45Å; F1779-L2044 HydrophobicContact CZ-CG 4.14Å; R2041-L2044 PolarHBondContact O-N 3.1Å; I2042-L2044 PolarHBondContact O-N 3.08Å; I2042-L2044 VanDerWaalsContact O-N 3.09Å
2045	L	36.1	Very low	38.3	Very low	64 Å²	64	73.8 Å²	73.8	34%	0.335	37%	0.37	S	S	.	.	S	Bend	trans	-82.4	143.3	169.3	-68.2	170.1	0	0	0	109.7	I2042 Y2049 I2050 L2053	I2042-L2045 HydrophobicContact CG1-CD1 4.42Å; I2042-L2045 HydrophobicContact CG2-CD1 4.39Å; I2042-L2045 WeakPolarHBondContact O-CB 3.37Å; I2042-L2045 PolarHBondContact O-N 2.93Å; L2045-Y2049 HydrophobicContact CD2-CD1 4.44Å; L2045-Y2049 HydrophobicContact CD2-CG 4.4Å; L2045-I2050 HydrophobicContact CB-CG1 3.98Å; L2045-L2053 HydrophobicContact CD1-CD1 4.11Å
2046	P	32.9	Very low	38.5	Very low	80 Å²	80	77 Å²	77	52%	0.519	39%	0.387	S	S	.	.			trans	-53.9	149.4	167	-25.3	34.8	0	0	0	111.4	E2048 Y2049 I2050	P2046-E2048 PolarHBondContact O-N 3.4Å; P2046-E2048 VanDerWaalsContact O-N 3.09Å; P2046-Y2049 WeakPolarHBondContact O-CB 3.45Å; P2046-Y2049 PolarHBondContact O-N 3.35Å; P2046-I2050 PolarHBondContact O-N 2.86Å
2047	E	38.1	Very low	38.5	Very low	166 Å²	166	77.4 Å²	77.4	78%	0.776	39%	0.387	S	S	*	.	H	α-helix	trans	-55.5	-33.9	-175.2	-161.2	165.8	-153.3	0	0	112.2	Y2049 I2050 Q2051	E2047-Y2049 PolarHBondContact O-N 2.83Å; E2047-I2050 PolarHBondContact O-N 2.88Å; E2047-Q2051 WeakPolarHBondContact O-CB 3.43Å; E2047-Q2051 PolarHBondContact O-N 3.4Å
2048	E	40.3	Very low	38.7	Very low	157 Å²	157	77 Å²	77	73%	0.734	39%	0.391	S	S	*	.	H	α-helix	trans	-59.8	-38.5	172.3	-60.5	-175	136.2	0	0	114.1	P2046 Q2051 T2052	P2046-E2048 PolarHBondContact O-N 3.4Å; P2046-E2048 VanDerWaalsContact O-N 3.09Å; E2048-Q2051 PolarHBondContact O-N 3.2Å; E2048-T2052 WeakPolarHBondContact O-CB 3.44Å; E2048-T2052 PolarHBondContact O-N 3.22Å; E2048-T2052 PolarHBondContact O-OG1 3.3Å
2049	Y	38.7	Very low	38.5	Very low	142 Å²	142	78.4 Å²	78.4	56%	0.557	39%	0.387	S	S	*	.	H	α-helix	trans	-73.5	-39.1	178.7	-106.2	-87	0	0	0	111.5	L2045 P2046 E2047 Q2051 T2052 L2053	L2045-Y2049 HydrophobicContact CD2-CD1 4.44Å; L2045-Y2049 HydrophobicContact CD2-CG 4.4Å; P2046-Y2049 WeakPolarHBondContact O-CB 3.45Å; P2046-Y2049 PolarHBondContact O-N 3.35Å; E2047-Y2049 PolarHBondContact O-N 2.83Å; Y2049-Q2051 VanDerWaalsContact C-N 3.32Å; Y2049-T2052 PolarHBondContact O-N 3.48Å; Y2049-L2053 PolarHBondContact O-N 3.16Å
2050	I	42.5	Very low	38.2	Very low	26 Å²	26	83.8 Å²	83.8	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-61.2	-46.4	172.6	-55.2	-178.9	0	0	0	109.2	Y2037 I2042 L2045 P2046 E2047 T2052 L2053 L2054	Y2037-I2050 HydrophobicContact CE2-CG2 3.86Å; I2042-I2050 HydrophobicContact CG2-CD1 4.27Å; I2042-I2050 HydrophobicContact CG2-CG1 3.97Å; I2042-I2050 HydrophobicContact CG2-CG2 4.29Å; L2045-I2050 HydrophobicContact CB-CG1 3.98Å; P2046-I2050 PolarHBondContact O-N 2.86Å; E2047-I2050 PolarHBondContact O-N 2.88Å; I2050-T2052 VanDerWaalsContact C-N 3.34Å; I2050-T2052 PolarHBondContact O-N 2.83Å; I2050-L2053 PolarHBondContact O-N 2.02Å; I2050-L2054 HydrophobicContact CG2-CD1 4.09Å; I2050-L2054 WeakPolarHBondContact O-CG 3.36Å; I2050-L2054 PolarHBondContact O-N 2.04Å
2051	Q	44	Very low	38.3	Very low	101 Å²	101	86.8 Å²	86.8	47%	0.472	43%	0.429	S	S	.	.	H	α-helix	trans	-68.1	-32.3	178.9	-149.7	68.1	-2.2	0	0	112.7	E2047 E2048 Y2049 L2054 N2055	E2047-Q2051 WeakPolarHBondContact O-CB 3.43Å; E2047-Q2051 PolarHBondContact O-N 3.4Å; E2048-Q2051 PolarHBondContact O-N 3.2Å; Y2049-Q2051 VanDerWaalsContact C-N 3.32Å; Q2051-L2054 PolarHBondContact O-N 3.4Å; Q2051-N2055 WeakPolarHBondContact O-CB 3.07Å; Q2051-N2055 PolarHBondContact O-N 2.65Å; Q2051-N2055 PolarHBondContact O-ND2 2.03Å
2052	T	45.7	Very low	38.1	Very low	63 Å²	63	87.7 Å²	87.7	39%	0.387	45%	0.453	S	S	.	.	H	α-helix	trans	-66.4	-43.3	173.5	-60.9	0	0	0	0	111.5	E2048 Y2049 I2050 N2055 N2056	E2048-T2052 WeakPolarHBondContact O-CB 3.44Å; E2048-T2052 PolarHBondContact O-N 3.22Å; E2048-T2052 PolarHBondContact O-OG1 3.3Å; Y2049-T2052 PolarHBondContact O-N 3.48Å; I2050-T2052 VanDerWaalsContact C-N 3.34Å; I2050-T2052 PolarHBondContact O-N 2.83Å; T2052-N2055 PolarHBondContact O-N 2.88Å; T2052-N2056 WeakPolarHBondContact O-CB 3.4Å; T2052-N2056 VanDerWaalsContact O-CG 3.25Å; T2052-N2056 PolarHBondContact O-N 3.13Å; T2052-N2056 PolarHBondContact O-ND2 3.43Å
2053	L	40.5	Very low	37.7	Very low	75 Å²	75	90.5 Å²	90.5	39%	0.393	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-48.1	172.8	-98.6	152.6	0	0	0	111.7	L2045 Y2049 I2050 Y2057	L2045-L2053 HydrophobicContact CD1-CD1 4.11Å; Y2049-L2053 PolarHBondContact O-N 3.16Å; I2050-L2053 PolarHBondContact O-N 2.02Å; L2053-Y2057 WeakPolarHBondContact O-CB 3.48Å; L2053-Y2057 PolarHBondContact O-N 3.22Å
2054	L	45.4	Very low	37.2	Very low	57 Å²	57	92.9 Å²	92.9	30%	0.298	48%	0.48	S	S	.	.	H	α-helix	trans	-64.5	-39.4	177.3	-70.5	171.1	0	0	0	112.5	Y2037 I2050 Q2051 Y2057 N2058	Y2037-L2054 HydrophobicContact CE2-CD1 4.43Å; I2050-L2054 HydrophobicContact CG2-CD1 4.09Å; I2050-L2054 WeakPolarHBondContact O-CG 3.36Å; I2050-L2054 PolarHBondContact O-N 2.04Å; Q2051-L2054 PolarHBondContact O-N 3.4Å; L2054-Y2057 PolarHBondContact O-N 3.25Å; L2054-N2058 WeakPolarHBondContact O-CB 3.49Å; L2054-N2058 VanDerWaalsContact O-CG 3.27Å; L2054-N2058 PolarHBondContact O-N 3.32Å; L2054-N2058 PolarHBondContact O-ND2 2.8Å
2055	N	44.1	Very low	36.8	Very low	89 Å²	89	94.2 Å²	94.2	48%	0.476	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-48	177.9	-74.9	-19.7	0	0	0	111.6	Q2051 T2052 Y2057 N2058 Y2059	Q2051-N2055 WeakPolarHBondContact O-CB 3.07Å; Q2051-N2055 PolarHBondContact O-N 2.65Å; Q2051-N2055 PolarHBondContact O-ND2 2.03Å; T2052-N2055 PolarHBondContact O-N 2.88Å; N2055-Y2057 PolarHBondContact O-N 2.91Å; N2055-N2058 PolarHBondContact O-N 2.04Å; N2055-Y2059 WeakPolarHBondContact O-CB 3.39Å; N2055-Y2059 PolarHBondContact O-N 2.82Å
2056	N	39.6	Very low	36.2	Very low	86 Å²	86	97.3 Å²	97.3	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-58.7	-36.8	175.5	-72.3	-13.9	0	0	0	111.4	T2052 L2060	T2052-N2056 WeakPolarHBondContact O-CB 3.4Å; T2052-N2056 VanDerWaalsContact O-CG 3.25Å; T2052-N2056 PolarHBondContact O-N 3.13Å; T2052-N2056 PolarHBondContact O-ND2 3.43Å; N2056-L2060 WeakPolarHBondContact O-CG 3.46Å; N2056-L2060 PolarHBondContact O-N 2.8Å
2057	Y	36.1	Very low	36	Very low	36 Å²	36	99.4 Å²	99.4	14%	0.141	53%	0.526	C	S	.	.	H	α-helix	trans	-77.7	-39.3	-179.4	-163.6	-131.4	0	0	0	113.8	N2029 Y2030 L2033 L2053 L2054 N2055 Y2059 L2060 I2061	N2029-Y2057 PolarHBondContact O-OH 2.68Å; Y2030-Y2057 WeakPolarHBondContact CA-OH 3.47Å; Y2030-Y2057 HydrophobicContact CD2-CD1 4.3Å; Y2030-Y2057 AromaticContact CD2-CE1 3.39Å; Y2030-Y2057 HydrophobicContact CD2-CE1 3.39Å; Y2030-Y2057 AromaticContact CD2-CZ 3.97Å; Y2030-Y2057 HydrophobicContact CE2-CD1 4.36Å; Y2030-Y2057 AromaticContact CE2-CE1 3.86Å; Y2030-Y2057 HydrophobicContact CE2-CE1 3.86Å; Y2030-Y2057 HydrophobicContact CG-CE1 4.31Å; Y2030-Y2057 PolarHBondContact N-OH 3.3Å; L2033-Y2057 HydrophobicContact CB-CD1 4.44Å; L2033-Y2057 HydrophobicContact CB-CE1 3.87Å; L2033-Y2057 HydrophobicContact CD1-CD1 4.12Å; L2033-Y2057 HydrophobicContact CD1-CD2 3.59Å; L2033-Y2057 HydrophobicContact CD1-CE1 3.81Å; L2033-Y2057 HydrophobicContact CD1-CE2 3.31Å; L2033-Y2057 HydrophobicContact CD1-CG 4.03Å; L2033-Y2057 VanDerWaalsContact CD1-CZ 3.43Å; L2033-Y2057 HydrophobicContact CG-CE1 4.47Å; L2053-Y2057 WeakPolarHBondContact O-CB 3.48Å; L2053-Y2057 PolarHBondContact O-N 3.22Å; L2054-Y2057 PolarHBondContact O-N 3.25Å; N2055-Y2057 PolarHBondContact O-N 2.91Å; Y2057-Y2059 PolarHBondContact O-N 2.87Å; Y2057-L2060 HydrophobicContact CD2-CD1 4.33Å; Y2057-L2060 PolarHBondContact O-N 2.8Å; Y2057-L2060 VanDerWaalsContact O-N 3.12Å; Y2057-I2061 HydrophobicContact CD1-CD1 4.16Å; Y2057-I2061 HydrophobicContact CD2-CD1 4.33Å; Y2057-I2061 HydrophobicContact CE1-CD1 3.69Å; Y2057-I2061 HydrophobicContact CE2-CD1 3.84Å; Y2057-I2061 HydrophobicContact CG-CD1 4.43Å; Y2057-I2061 VanDerWaalsContact CZ-CD1 3.48Å; Y2057-I2061 PolarHBondContact O-N 3.46Å
2058	N	35.7	Very low	35.5	Very low	87 Å²	87	96.7 Å²	96.7	47%	0.465	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-32.8	170.3	-73.5	-43.7	0	0	0	111.7	L2054 N2055 L2060 I2061 G2062	L2054-N2058 WeakPolarHBondContact O-CB 3.49Å; L2054-N2058 VanDerWaalsContact O-CG 3.27Å; L2054-N2058 PolarHBondContact O-N 3.32Å; L2054-N2058 PolarHBondContact O-ND2 2.8Å; N2055-N2058 PolarHBondContact O-N 2.04Å; N2058-L2060 VanDerWaalsContact C-N 3.32Å; N2058-L2060 PolarHBondContact O-N 2.85Å; N2058-I2061 PolarHBondContact O-N 3.26Å; N2058-G2062 WeakPolarHBondContact O-CA 3.4Å; N2058-G2062 PolarHBondContact O-N 2.69Å
2059	Y	34.6	Very low	34.8	Very low	127 Å²	127	96.4 Å²	96.4	50%	0.498	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-30	173.8	-160.4	-91.2	0	0	0	113	Y1998 N2055 Y2057	Y1998-Y2059 HydrophobicContact CD1-CE1 4.08Å; Y1998-Y2059 HydrophobicContact CE1-CE1 4.18Å; N2055-Y2059 WeakPolarHBondContact O-CB 3.39Å; N2055-Y2059 PolarHBondContact O-N 2.82Å; Y2057-Y2059 PolarHBondContact O-N 2.87Å
2060	L	31.4	Very low	34.3	Very low	120 Å²	120	95.5 Å²	95.5	63%	0.628	52%	0.523	S	S	*	.	H	α-helix	trans	-78.5	-13.9	176.5	-76.3	164.8	0	0	0	114.3	N2056 Y2057 N2058	N2056-L2060 WeakPolarHBondContact O-CG 3.46Å; N2056-L2060 PolarHBondContact O-N 2.8Å; Y2057-L2060 HydrophobicContact CD2-CD1 4.33Å; Y2057-L2060 PolarHBondContact O-N 2.8Å; Y2057-L2060 VanDerWaalsContact O-N 3.12Å; N2058-L2060 VanDerWaalsContact C-N 3.32Å; N2058-L2060 PolarHBondContact O-N 2.85Å
2061	I	35.1	Very low	33.5	Very low	74 Å²	74	99.8 Å²	99.8	38%	0.379	55%	0.55	S	S	.	*	H	α-helix	trans	-116.1	-27.9	-175.9	-65.9	166	0	0	0	112.1	Y2030 Y2057 N2058 I2063	Y2030-I2061 HydrophobicContact CD2-CD1 3.54Å; Y2030-I2061 HydrophobicContact CE2-CD1 3.99Å; Y2057-I2061 HydrophobicContact CD1-CD1 4.16Å; Y2057-I2061 HydrophobicContact CD2-CD1 4.33Å; Y2057-I2061 HydrophobicContact CE1-CD1 3.69Å; Y2057-I2061 HydrophobicContact CE2-CD1 3.84Å; Y2057-I2061 HydrophobicContact CG-CD1 4.43Å; Y2057-I2061 VanDerWaalsContact CZ-CD1 3.48Å; Y2057-I2061 PolarHBondContact O-N 3.46Å; N2058-I2061 PolarHBondContact O-N 3.26Å; I2061-I2063 VanDerWaalsContact C-N 3.29Å; I2061-I2063 PolarHBondContact O-N 3.01Å
2062	G	28.5	Very low	32.7	Very low	64 Å²	64	99.9 Å²	99.9	66%	0.66	56%	0.558	S	S	*	*			trans	-77.2	27.3	-167.9	0	0	0	0	0	118	N2058	N2058-G2062 WeakPolarHBondContact O-CA 3.4Å; N2058-G2062 PolarHBondContact O-N 2.69Å
2063	I	30.5	Very low	31.9	Very low	79 Å²	79	103.7 Å²	103.7	41%	0.405	58%	0.576	S	S	.	*			trans	-131.3	71.7	-178.2	-43.1	-179.5	0	0	0	113.2	Y2002 I2061	Y2002-I2063 HydrophobicContact CD2-CD1 4.27Å; Y2002-I2063 HydrophobicContact CE2-CD1 4.18Å; Y2002-I2063 HydrophobicContact CE2-CG2 4.08Å; I2061-I2063 VanDerWaalsContact C-N 3.29Å; I2061-I2063 PolarHBondContact O-N 3.01Å
2064	N	26.3	Very low	31.3	Very low	145 Å²	145	105.2 Å²	105.2	78%	0.775	59%	0.588	S	S	*	*	S	Bend		179.5	87.3	123.6	-96.4	-43.6	0	0	0	113.7
2065	T	26.9	Very low	30.6	Very low	140 Å²	140	107.7 Å²	107.7	86%	0.859	61%	0.606	S	S	*	*			trans	-167	101.5	130.1	11.5	0	0	0	0	109.9	T2067	T2065-T2067 PolarHBondContact O-N 3.35Å
2066	T	24.4	Very low	29.8	Very low	129 Å²	129	109.1 Å²	109.1	79%	0.791	61%	0.614	S	S	*	*			trans	-77.8	113.8	172.9	35.6	0	0	0	0	110.4
2067	T	27.8	Very low	29.3	Very low	124 Å²	124	111 Å²	111	76%	0.761	62%	0.624	S	S	*	*			trans	175	143.2	157.3	20.8	0	0	0	0	109.2	T2065	T2065-T2067 PolarHBondContact O-N 3.35Å
2068	D	26.6	Very low	28.9	Very low	109 Å²	109	114.1 Å²	114.1	58%	0.583	65%	0.647	S	S	*	*			cis	-156.7	138	-22.1	-143.9	9.9	0	0	0	111.6
2069	K	26.5	Very low	28.5	Very low	152 Å²	152	114.9 Å²	114.9	66%	0.661	66%	0.655	S	S	*	*			trans	53	145.6	146.3	-75.9	171.2	-167.5	74.8	0	122.4
2070	T	27.2	Very low	28	Very low	122 Å²	122	115.1 Å²	115.1	75%	0.748	66%	0.664	S	S	*	*			trans	67.6	142	146.5	48.7	0	0	0	0	117.9
2071	T	27.1	Very low	27.7	Very low	116 Å²	116	114.6 Å²	114.6	71%	0.712	67%	0.667	S	S	*	*			cis	-166.5	159	1.8	21	0	0	0	0	105.5
2072	T	27.9	Very low	27.2	Very low	103 Å²	103	116.5 Å²	116.5	63%	0.632	68%	0.682	S	S	*	*			cis	-170.6	157.9	12.6	9.9	0	0	0	0	109.3
2073	N	27.2	Very low	27.1	Very low	143 Å²	143	118.8 Å²	118.8	77%	0.765	68%	0.683	S	S	*	*			trans	69.6	142.7	146.9	-65.8	-0.8	0	0	0	118.4
2074	T	28.9	Very low	26.8	Very low	107 Å²	107	121.3 Å²	121.3	66%	0.656	70%	0.697	S	S	*	*			cis	-155.3	149.3	3.9	-0.6	0	0	0	0	111.8
2075	T	30.8	Very low	26.7	Very low	109 Å²	109	120.3 Å²	120.3	67%	0.669	69%	0.692	S	S	*	*			trans	62.2	136.1	146.4	54.3	0	0	0	0	121
2076	D	27.3	Very low	26.6	Very low	120 Å²	120	119.1 Å²	119.1	64%	0.642	69%	0.685	S	S	*	*			cis	-172.1	149.1	-17.7	-116.9	5.7	0	0	0	109.5
2077	N	27.9	Very low	26.6	Very low	124 Å²	124	118.6 Å²	118.6	66%	0.663	68%	0.681	S	S	*	*			trans	59.9	150.2	136.9	-59.4	-19.2	0	0	0	122
2078	T	28.7	Very low	26.4	Very low	103 Å²	103	117.8 Å²	117.8	63%	0.632	68%	0.677	S	S	*	*			cis	-168.6	152	-12.6	28.5	0	0	0	0	110.4
2079	T	26.4	Very low	26.3	Very low	102 Å²	102	118.9 Å²	118.9	63%	0.626	68%	0.683	S	S	*	*			trans	59.5	123.3	136.7	64.4	0	0	0	0	123
2080	N	25.4	Very low	26.3	Very low	132 Å²	132	117.3 Å²	117.3	71%	0.706	69%	0.686	S	S	*	*				82.3	127.3	115.9	-63.8	3.2	0	0	0	123
2081	T	24.9	Very low	26.3	Very low	110 Å²	110	116.9 Å²	116.9	68%	0.675	68%	0.683	S	S	*	*				71.9	121	127.7	60.6	0	0	0	0	122.2
2082	T	24.6	Very low	26.3	Very low	114 Å²	114	118 Å²	118	70%	0.699	69%	0.685	S	S	*	*				74.5	138	129.9	56	0	0	0	0	121.8
2083	T	25.2	Very low	26.5	Very low	112 Å²	112	118.5 Å²	118.5	69%	0.687	69%	0.688	S	S	*	*			trans	68.3	117.9	144.8	48	0	0	0	0	119.6
2084	D	24.5	Very low	26.6	Very low	131 Å²	131	116.9 Å²	116.9	70%	0.701	68%	0.683	S	S	*	*				79.5	120.5	123	-68.5	22.2	0	0	0	121.6
2085	N	24.9	Very low	26.8	Very low	125 Å²	125	117.5 Å²	117.5	67%	0.668	69%	0.687	S	S	*	*				76.2	114.8	129.3	-67.1	-33.8	0	0	0	120.9
2086	T	24.7	Very low	26.7	Very low	115 Å²	115	118 Å²	118	71%	0.706	69%	0.686	S	S	*	*				79.4	124.1	128	57.6	0	0	0	0	121.3
2087	T	24	Very low	26.8	Very low	117 Å²	117	118 Å²	118	72%	0.718	69%	0.69	S	S	*	*			trans	77.1	133.1	134.6	50.4	0	0	0	0	122.2
2088	T	24.2	Very low	27	Very low	108 Å²	108	117.2 Å²	117.2	66%	0.663	69%	0.69	S	S	*	*			trans	71.2	108.8	141.3	50.9	0	0	0	0	121
2089	N	24.1	Very low	27	Very low	132 Å²	132	117.4 Å²	117.4	71%	0.706	69%	0.691	S	S	*	*				83.8	122.9	116.8	-65.1	4.7	0	0	0	121.3
2090	T	25.8	Very low	27.1	Very low	118 Å²	118	118.3 Å²	118.3	72%	0.724	69%	0.692	S	S	*	*				87.5	137.8	127.1	49.2	0	0	0	0	122.9
2091	T	27.2	Very low	27.2	Very low	113 Å²	113	118.2 Å²	118.2	69%	0.693	69%	0.691	S	S	*	*			trans	88.4	123.9	140.7	36.1	0	0	0	0	121.4
2092	D	27	Very low	27.2	Very low	140 Å²	140	118.1 Å²	118.1	75%	0.749	69%	0.691	S	S	*	*			trans	78.7	141.4	142.5	-60.1	-12	0	0	0	119.4
2093	T	32.4	Very low	27.3	Very low	114 Å²	114	118.3 Å²	118.3	70%	0.699	69%	0.692	S	S	*	*			cis	-148	135.3	14.1	-6.6	0	0	0	0	113.3
2094	T	30.4	Very low	27.4	Very low	109 Å²	109	118.1 Å²	118.1	67%	0.669	69%	0.691	S	S	*	*			trans	31.4	142.8	136	68.9	0	0	0	0	121.2
2095	T	32	Very low	27.4	Very low	119 Å²	119	117.7 Å²	117.7	73%	0.73	69%	0.688	S	S	*	*			cis	-168.2	163.4	47.7	42.3	0	0	0	0	109.1
2096	N	30	Very low	27.5	Very low	121 Å²	121	117.4 Å²	117.4	65%	0.647	69%	0.687	S	S	*	*			cis	-166.8	143.8	-17	-104.8	2.1	0	0	0	110
2097	T	29.5	Very low	27.5	Very low	120 Å²	120	117.4 Å²	117.4	74%	0.736	69%	0.687	S	S	*	*			trans	61.3	154.3	145	59.5	0	0	0	0	119.7
2098	T	31.1	Very low	27.5	Very low	106 Å²	106	117.2 Å²	117.2	65%	0.65	69%	0.686	S	S	*	*			cis	-156.7	140.5	18.6	-12.4	0	0	0	0	111.3
2099	T	28.7	Very low	27.5	Very low	107 Å²	107	117.2 Å²	117.2	66%	0.656	69%	0.686	S	S	*	*			trans	43.8	143.4	137	57	0	0	0	0	121.4
2100	D	28.1	Very low	27.5	Very low	122 Å²	122	117.6 Å²	117.6	65%	0.652	69%	0.688	S	S	*	*			cis	-149.8	144.4	8.7	-103.9	-25.8	0	0	0	108.3
2101	N	27.2	Very low	27.5	Very low	129 Å²	129	117.7 Å²	117.7	69%	0.69	69%	0.689	S	S	*	*				54	138.1	80.5	-66.3	-38.7	0	0	0	113.2
2102	T	26.7	Very low	27.3	Very low	108 Å²	108	117.6 Å²	117.6	66%	0.663	69%	0.688	S	S	*	*			cis	-169.1	-156.2	1.6	18.1	0	0	0	0	106.3
2103	T	26.6	Very low	27.2	Very low	119 Å²	119	117 Å²	117	73%	0.73	69%	0.685	S	S	*	*			trans	70.3	134.5	151.7	52.1	0	0	0	0	118.2
2104	T	25.9	Very low	26.9	Very low	107 Å²	107	117.7 Å²	117.7	66%	0.656	68%	0.684	S	S	*	*			cis	-177.9	-168	-30.7	22.5	0	0	0	0	104.8
2105	D	25.9	Very low	26.7	Very low	122 Å²	122	116.2 Å²	116.2	65%	0.652	68%	0.675	S	S	*	*			trans	73.9	99.7	151.9	-58.4	-59.5	0	0	0	116.2
2106	N	25.5	Very low	26.3	Very low	119 Å²	119	114.1 Å²	114.1	64%	0.636	66%	0.662	S	S	*	*				89.5	93	72.8	-81.9	-36.7	0	0	0	111.9
2107	T	24.6	Very low	26.2	Very low	116 Å²	116	111.7 Å²	111.7	71%	0.712	65%	0.652	S	S	*	*				75.3	-174.1	109.4	62.2	0	0	0	0	114.5
2108	T	24.9	Very low	26	Very low	112 Å²	112	110.5 Å²	110.5	69%	0.687	64%	0.641	S	S	*	*			trans	57.9	86.9	169.8	43.8	0	0	0	0	116
2109	T	23.9	Very low	25.8	Very low	108 Å²	108	108.5 Å²	108.5	66%	0.663	63%	0.626	S	S	*	*				81.5	138.7	67.2	64.4	0	0	0	0	115.4
2110	N	23.9	Very low	25.7	Very low	140 Å²	140	108.1 Å²	108.1	75%	0.749	62%	0.623	S	S	*	*			trans	74.9	165.6	150.9	-60.1	-15.5	0	0	0	118.4
2111	T	25.4	Very low	25.6	Very low	121 Å²	121	107.5 Å²	107.5	74%	0.742	62%	0.62	S	S	*	*			trans	58.6	102.2	176.6	47.8	0	0	0	0	114
2112	T	24.3	Very low	25.6	Very low	110 Å²	110	106.4 Å²	106.4	68%	0.675	62%	0.618	S	S	*	*				57.1	151.4	59.3	80	0	0	0	0	113.2
2113	D	24.7	Very low	25.4	Very low	129 Å²	129	106.8 Å²	106.8	69%	0.69	62%	0.621	S	S	*	*			trans	70.5	134.1	165.7	-60.4	-65.8	0	0	0	117.3
2114	N	25.6	Very low	25.4	Very low	128 Å²	128	106.6 Å²	106.6	68%	0.684	62%	0.619	S	S	*	*			cis	-171	-164.9	-21.4	-143.5	-55	0	0	0	106.5
2115	T	25.7	Very low	25.3	Very low	77 Å²	77	107.2 Å²	107.2	47%	0.472	62%	0.623	S	S	.	*			trans	55.1	76.3	145.2	49.5	0	0	0	0	117.3	Y2222	T2115-Y2222 HydrophobicContact CG2-CD1 4.07Å; T2115-Y2222 HydrophobicContact CG2-CE1 4.24Å
2116	T	24.7	Very low	25.3	Very low	75 Å²	75	107.9 Å²	107.9	46%	0.46	63%	0.627	S	S	.	*				75.6	168.8	127.7	66.9	0	0	0	0	116.1	I2223	T2116-I2223 WeakPolarHBondContact CB-O 3.38Å; T2116-I2223 PolarHBondContact OG1-O 3.49Å
2117	T	26.7	Very low	25.3	Very low	70 Å²	70	108.9 Å²	108.9	43%	0.429	63%	0.631	S	S	.	*				-159.5	132.6	81.6	28.5	0	0	0	0	113.3	I2223 R2224 F2225	T2117-I2223 CarbonylContact C-O 3.31Å; T2117-I2223 WeakPolarHBondContact CA-O 3.32Å; T2117-I2223 WeakPolarHBondContact CG2-O 3.36Å; T2117-R2224 CarbonylContact C-O 3.42Å; T2117-R2224 VanDerWaalsContact CB-N 3.27Å; T2117-R2224 WeakPolarHBondContact CB-O 3.41Å; T2117-R2224 HydrophobicContact CG2-CB 4.31Å; T2117-R2224 VanDerWaalsContact CG2-N 3.27Å; T2117-F2225 HydrophobicContact CG2-CD2 4.24Å
2118	N	25.5	Very low	25.3	Very low	95 Å²	95	107.2 Å²	107.2	51%	0.508	62%	0.62	S	S	.	*			trans	-91.7	130.9	178.2	-68.1	-6.5	0	0	0	116.1	Y2222 I2223 R2224	N2118-Y2222 VanDerWaalsContact CG-O 3.31Å; N2118-Y2222 PolarHBondContact ND2-O 3.03Å; N2118-I2223 VanDerWaalsContact N-C 3.34Å; N2118-I2223 PolarHBondContact N-O 2.88Å; N2118-R2224 CarbonylContact C-O 3.56Å; N2118-R2224 VanDerWaalsContact CA-O 3.27Å; N2118-R2224 WeakPolarHBondContact CA-O 3.36Å; N2118-R2224 PolarHBondContact N-O 3.21Å; N2118-R2224 CarbonylContact O-C 3.59Å; N2118-R2224 WeakPolarHBondContact O-CA 3.43Å; N2118-R2224 PolarHBondContact O-N 3.19Å
2119	I	26.8	Very low	25.5	Very low	65 Å²	65	109.4 Å²	109.4	33%	0.333	63%	0.628	S	S	.	*			trans	-170.4	127.9	138	-94.9	143.9	0	0	0	107.5	R2224 Q2226	I2119-R2224 HydrophobicContact CD1-CG 4.23Å; I2119-R2224 PolarHBondContact N-O 3.44Å; I2119-Q2226 HydrophobicContact CB-CB 3.8Å; I2119-Q2226 HydrophobicContact CB-CG 4.35Å; I2119-Q2226 HydrophobicContact CD1-CB 3.9Å; I2119-Q2226 HydrophobicContact CD1-CG 4.13Å; I2119-Q2226 HydrophobicContact CG1-CB 4.48Å; I2119-Q2226 HydrophobicContact CG2-CB 3.79Å; I2119-Q2226 HydrophobicContact CG2-CG 3.86Å
2120	T	26.9	Very low	25.6	Very low	98 Å²	98	109.3 Å²	109.3	60%	0.601	62%	0.623	S	S	*	*			cis	76.1	60.8	36.9	80.4	0	0	0	0	116.3	T2122	T2120-T2122 PolarHBondContact O-OG1 2.79Å
2121	D	26.5	Very low	25.8	Very low	109 Å²	109	109 Å²	109	58%	0.583	63%	0.627	S	S	*	*			trans	-113.7	116.1	136.1	-73.6	-48.5	0	0	0	105.7	N2227	D2121-N2227 PolarHBondContact OD2-ND2 2.63Å
2122	T	26.7	Very low	25.7	Very low	106 Å²	106	108 Å²	108	65%	0.65	62%	0.621	S	S	*	*			cis	50.2	73	21.5	39	0	0	0	0	113.9	T2120	T2120-T2122 PolarHBondContact O-OG1 2.79Å
2123	T	23.2	Very low	25.9	Very low	117 Å²	117	109 Å²	109	72%	0.718	63%	0.627	S	S	*	*				-172.4	118.9	115.1	24.2	0	0	0	0	112.8	T2125	T2123-T2125 PolarHBondContact O-N 2.96Å
2124	T	25.8	Very low	26	Very low	114 Å²	114	110 Å²	110	70%	0.699	63%	0.632	S	S	*	*				6.2	90.4	121.3	56.5	0	0	0	0	117.7
2125	T	24.8	Very low	26.1	Very low	120 Å²	120	107.8 Å²	107.8	74%	0.736	63%	0.632	S	S	*	*			trans	-124.1	124.5	130	37.1	0	0	0	0	106	T2123	T2123-T2125 PolarHBondContact O-N 2.96Å
2126	N	25.9	Very low	26.3	Very low	137 Å²	137	108.9 Å²	108.9	73%	0.733	64%	0.638	S	S	*	*			cis	59.1	43.3	28.7	-68.5	-1.4	0	0	0	114
2127	I	25.2	Very low	26.3	Very low	140 Å²	140	111.3 Å²	111.3	72%	0.718	65%	0.648	S	S	*	*			trans	-134.8	110	144.8	-52.9	177.9	0	0	0	103.9
2128	T	24.6	Very low	26.3	Very low	80 Å²	80	114.6 Å²	114.6	49%	0.491	66%	0.663	S	S	.	*			cis	67.3	66.9	36.4	87.7	0	0	0	0	114.6	N2130	T2128-N2130 WeakPolarHBondContact O-CB 3.48Å
2129	D	28.5	Very low	26.2	Very low	158 Å²	158	114.1 Å²	114.1	85%	0.845	66%	0.664	S	S	*	*				-90.3	114.8	119.2	-64.4	-45.8	0	0	0	105.9
2130	N	26	Very low	26.1	Very low	107 Å²	107	116.6 Å²	116.6	57%	0.572	68%	0.682	S	S	*	*			cis	69.4	36.3	9.6	-91.6	4.1	0	0	0	117.4	T2128 T2132	T2128-N2130 WeakPolarHBondContact O-CB 3.48Å; N2130-T2132 HydrophobicContact CB-CG2 3.96Å; N2130-T2132 VanDerWaalsContact O-CG2 3.31Å; N2130-T2132 WeakPolarHBondContact O-CG2 3.27Å; N2130-T2132 PolarHBondContact O-OG1 3.35Å; N2130-T2132 VanDerWaalsContact O-OG1 3.07Å
2131	T	28.6	Very low	25.9	Very low	133 Å²	133	118 Å²	118	82%	0.816	69%	0.686	S	S	*	*			trans	-97	71.4	133.9	52.7	0	0	0	0	108.3
2132	T	23.7	Very low	25.8	Very low	101 Å²	101	118.2 Å²	118.2	62%	0.62	69%	0.691	S	S	*	*				51.5	58.4	75.7	66.7	0	0	0	0	117.2	N2130	N2130-T2132 HydrophobicContact CB-CG2 3.96Å; N2130-T2132 VanDerWaalsContact O-CG2 3.31Å; N2130-T2132 WeakPolarHBondContact O-CG2 3.27Å; N2130-T2132 PolarHBondContact O-OG1 3.35Å; N2130-T2132 VanDerWaalsContact O-OG1 3.07Å
2133	T	28.3	Very low	25.7	Very low	130 Å²	130	118.9 Å²	118.9	80%	0.798	70%	0.695	S	S	*	*			trans	-150.8	124.3	138.2	43.8	0	0	0	0	107.4
2134	N	26.8	Very low	25.9	Very low	150 Å²	150	118.5 Å²	118.5	80%	0.802	69%	0.693	S	S	*	*			cis	60.3	44.5	10.3	-98.5	14.6	0	0	0	115.7	T2136	N2134-T2136 PolarHBondContact O-OG1 3.48Å
2135	A	28.2	Very low	25.9	Very low	82 Å²	82	119.4 Å²	119.4	68%	0.678	69%	0.694	S	S	*	*				-106.9	131.1	126.9	0	0	0	0	0	106.2
2136	T	28.5	Very low	26.3	Very low	99 Å²	99	121.7 Å²	121.7	61%	0.607	70%	0.702	S	S	*	*			cis	47.3	59.2	8.2	49.4	0	0	0	0	113.3	N2134	N2134-T2136 PolarHBondContact O-OG1 3.48Å
2137	N	26	Very low	26.2	Very low	127 Å²	127	119.4 Å²	119.4	68%	0.679	69%	0.693	S	S	*	*				-128.2	138.1	91.3	-73.9	-54.4	0	0	0	108.4
2138	N	26	Very low	26.1	Very low	138 Å²	138	119 Å²	119	74%	0.738	70%	0.697	S	S	*	*			cis	64.6	164.5	38.3	-159.7	11.8	0	0	0	111.5
2139	T	23.2	Very low	26	Very low	86 Å²	86	120.2 Å²	120.2	53%	0.528	70%	0.704	S	S	.	*			trans	44.9	91.8	162.6	50.6	0	0	0	0	114.7
2140	T	23.9	Very low	25.8	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	70%	0.702	S	S	*	*				162.3	161	73	39.1	0	0	0	0	107.8
2141	N	23.8	Very low	25.7	Very low	128 Å²	128	119.6 Å²	119.6	68%	0.684	71%	0.705	S	S	*	*			cis	-150	166.8	-4.7	-126.2	-4.5	0	0	0	113.6	T2143	N2141-T2143 PolarHBondContact O-N 2.77Å
2142	T	24.1	Very low	25.6	Very low	112 Å²	112	119.1 Å²	119.1	69%	0.687	70%	0.702	S	S	*	*			trans	-21.6	116.1	147.2	58	0	0	0	0	116.9
2143	T	25.3	Very low	25.6	Very low	120 Å²	120	120.7 Å²	120.7	74%	0.736	71%	0.707	S	S	*	*				-157.7	118.6	124.6	26.7	0	0	0	0	104.9	N2141	N2141-T2143 PolarHBondContact O-N 2.77Å
2144	T	27.1	Very low	25.3	Very low	110 Å²	110	119.7 Å²	119.7	68%	0.675	70%	0.7	S	S	*	*				49.7	123.1	91.3	70	0	0	0	0	111.7
2145	D	26.6	Very low	25.2	Very low	132 Å²	132	118.4 Å²	118.4	71%	0.706	70%	0.698	S	S	*	*			cis	-125.2	129.7	40.6	-67	-44.6	0	0	0	117.6	T2147	D2145-T2147 PolarHBondContact O-N 3.13Å
2146	N	32	Very low	25.2	Very low	169 Å²	169	120.2 Å²	120.2	90%	0.904	70%	0.701	S	S	*	*			trans	-88.5	78.2	154.2	-107.6	-21.1	0	0	0	108
2147	T	23.8	Very low	25	Very low	89 Å²	89	122 Å²	122	55%	0.546	71%	0.707	S	S	.	*			trans	-144.5	135.4	170.7	49.6	0	0	0	0	109.2	D2145	D2145-T2147 PolarHBondContact O-N 3.13Å
2148	T	23.6	Very low	25.2	Very low	130 Å²	130	122 Å²	122	80%	0.798	71%	0.712	S	S	*	*			cis	69.7	50.8	45.6	78.3	0	0	0	0	116.2
2149	T	21.9	Very low	25.1	Very low	106 Å²	106	119.1 Å²	119.1	65%	0.65	70%	0.699	S	S	*	*			trans	-144.5	132.1	146.5	29.5	0	0	0	0	106.9	T2151	T2149-T2151 HydrophobicContact CG2-CG2 4.24Å
2150	N	25.3	Very low	25.3	Very low	151 Å²	151	121.9 Å²	121.9	81%	0.807	71%	0.71	S	S	*	*			cis	57.1	43.1	16.7	-78.9	6.6	0	0	0	114.7
2151	T	22.3	Very low	25.4	Very low	102 Å²	102	121.3 Å²	121.3	63%	0.626	71%	0.707	S	S	*	*			trans	-127.7	116.2	143.4	42.6	0	0	0	0	104.5	T2149	T2149-T2151 HydrophobicContact CG2-CG2 4.24Å
2152	T	27.7	Very low	25.4	Very low	122 Å²	122	120.7 Å²	120.7	75%	0.748	71%	0.708	S	S	*	*			cis	50.8	57.1	24.5	71.1	0	0	0	0	113.6
2153	D	23.1	Very low	25.4	Very low	135 Å²	135	120.8 Å²	120.8	72%	0.722	71%	0.709	S	S	*	*			trans	-139.2	129.7	142.6	-96.6	-37.4	0	0	0	108.3
2154	T	23.3	Very low	25.4	Very low	109 Å²	109	120.5 Å²	120.5	67%	0.669	71%	0.707	S	S	*	*			cis	-157.5	163.4	-21.6	-9.6	0	0	0	0	107.8
2155	T	23.9	Very low	25.4	Very low	122 Å²	122	122.3 Å²	122.3	75%	0.748	71%	0.712	S	S	*	*			trans	15.4	122.6	157.3	55.6	0	0	0	0	118.7
2156	T	29.1	Very low	25.3	Very low	120 Å²	120	123.3 Å²	123.3	74%	0.736	72%	0.716	S	S	*	*			cis	-143.1	141	34.9	48.9	0	0	0	0	110.5
2157	N	22.5	Very low	24.9	Very low	138 Å²	138	120.9 Å²	120.9	74%	0.738	71%	0.707	S	S	*	*			cis	55.5	53.8	38.3	-97.3	27.9	0	0	0	114.8
2158	T	30.1	Very low	25.1	Very low	127 Å²	127	123 Å²	123	78%	0.779	72%	0.715	S	S	*	*				-121.5	116	127.8	47.1	0	0	0	0	105.6
2159	T	25.2	Very low	25.3	Very low	77 Å²	77	123.9 Å²	123.9	47%	0.472	72%	0.715	S	S	.	*			cis	39.2	105.9	35.2	66.3	0	0	0	0	110.8
2160	D	27.9	Very low	25.5	Very low	143 Å²	143	123.8 Å²	123.8	77%	0.765	72%	0.715	S	S	*	*			cis	-118.7	146.5	47.1	-54.6	-47.4	0	0	0	111.2
2161	T	24.6	Very low	25.5	Very low	105 Å²	105	121.1 Å²	121.1	64%	0.644	70%	0.704	S	S	*	*				48.7	133.3	55.6	78.2	0	0	0	0	110.9
2162	T	24.1	Very low	25.8	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	72%	0.717	S	S	*	*			cis	-153.6	165.5	37.8	43.1	0	0	0	0	109.8
2163	T	24.6	Very low	25.8	Very low	114 Å²	114	123.2 Å²	123.2	70%	0.699	71%	0.712	S	S	*	*			trans	-21.8	148.1	132.2	56.8	0	0	0	0	113.8
2164	T	24.2	Very low	26	Very low	113 Å²	113	121.4 Å²	121.4	69%	0.693	72%	0.716	S	S	*	*			cis	-149.5	171.5	43.9	49.6	0	0	0	0	112.6	I2166	T2164-I2166 PolarHBondContact O-N 3.13Å
2165	N	28.2	Very low	26.1	Very low	149 Å²	149	120.7 Å²	120.7	80%	0.797	71%	0.712	S	S	*	*			trans	-29.6	133.1	142.8	-42.9	-29.8	0	0	0	111.8
2166	I	24.5	Very low	26.2	Very low	152 Å²	152	121.3 Å²	121.3	78%	0.779	71%	0.71	S	S	*	*			trans	-157.2	137.4	130.3	-102.9	151	0	0	0	108	T2164	T2164-I2166 PolarHBondContact O-N 3.13Å
2167	T	24.2	Very low	26.1	Very low	118 Å²	118	121.5 Å²	121.5	72%	0.724	71%	0.707	S	S	*	*			trans	-65.6	136.4	172	46.1	0	0	0	0	111
2168	D	26.5	Very low	26.2	Very low	133 Å²	133	120.6 Å²	120.6	71%	0.711	71%	0.707	S	S	*	*			trans	-127.4	77.4	148.7	-115.3	-47.9	0	0	0	111.1	T2170	D2168-T2170 PolarHBondContact O-N 3.31Å; D2168-T2170 VanDerWaalsContact O-N 3.09Å; D2168-T2170 PolarHBondContact OD1-OG1 3.02Å
2169	N	28.4	Very low	26	Very low	150 Å²	150	120.4 Å²	120.4	80%	0.802	71%	0.705	S	S	*	*			trans	-70.1	84.7	153.4	-96.5	-17.5	0	0	0	107.8
2170	T	25.2	Very low	26.1	Very low	104 Å²	104	123.1 Å²	123.1	64%	0.638	72%	0.717	S	S	*	*			trans	-129.9	70.4	166.3	35.2	0	0	0	0	111.5	D2168	D2168-T2170 PolarHBondContact O-N 3.31Å; D2168-T2170 VanDerWaalsContact O-N 3.09Å; D2168-T2170 PolarHBondContact OD1-OG1 3.02Å
2171	T	26.3	Very low	26	Very low	94 Å²	94	122.5 Å²	122.5	58%	0.577	72%	0.719	S	S	*	*				-3.9	122.2	125.6	57	0	0	0	0	116.6
2172	T	28.6	Very low	26	Very low	147 Å²	147	122.3 Å²	122.3	90%	0.902	72%	0.717	S	S	*	*			trans	-103.7	89	136.8	45.7	0	0	0	0	108.5
2173	N	27.5	Very low	26.2	Very low	122 Å²	122	124.1 Å²	124.1	65%	0.652	72%	0.718	S	S	*	*			trans	-66.7	131.9	169.4	-71.6	-54.3	0	0	0	109.7	T2175	N2173-T2175 HydrophobicContact CB-CG2 3.68Å
2174	A	28.3	Very low	26.3	Very low	97 Å²	97	125 Å²	125	80%	0.802	72%	0.718	S	S	*	*			trans	-126.1	61.4	149.6	0	0	0	0	0	106.8
2175	T	24.5	Very low	26.3	Very low	94 Å²	94	125 Å²	125	58%	0.577	72%	0.718	S	S	*	*				65.3	138.9	92.9	62.3	0	0	0	0	114.2	N2173	N2173-T2175 HydrophobicContact CB-CG2 3.68Å
2176	N	26.4	Very low	26.2	Very low	134 Å²	134	124.5 Å²	124.5	72%	0.717	71%	0.714	S	S	*	*			trans	75	138.9	162.6	-55.2	-26.5	0	0	0	117.3
2177	N	26	Very low	26.4	Very low	124 Å²	124	124 Å²	124	66%	0.663	72%	0.718	S	S	*	*			cis	-174.6	156.7	-27.2	-118.6	-18.3	0	0	0	108
2178	T	25.7	Very low	26.5	Very low	120 Å²	120	125.4 Å²	125.4	74%	0.736	72%	0.721	S	S	*	*			trans	61.6	149.7	151.6	55.1	0	0	0	0	118.1
2179	T	25.8	Very low	26.7	Very low	122 Å²	122	125.3 Å²	125.3	75%	0.748	73%	0.725	S	S	*	*			cis	-149.7	159.7	6.5	-14.2	0	0	0	0	111.8
2180	N	26	Very low	26.7	Very low	135 Å²	135	122.1 Å²	122.1	72%	0.722	72%	0.715	S	S	*	*			trans	-54.7	149.4	162.6	-46.1	-47.1	0	0	0	112.5
2181	T	25.7	Very low	27	Very low	130 Å²	130	123.9 Å²	123.9	80%	0.798	72%	0.721	S	S	*	*				-177.4	110.1	122.5	25.3	0	0	0	0	106.8
2182	T	25.3	Very low	27.1	Very low	100 Å²	100	126 Å²	126	61%	0.613	73%	0.728	S	S	*	*				56.3	97	72	69.7	0	0	0	0	114.1
2183	H	27.8	Very low	27.1	Very low	155 Å²	155	125.1 Å²	125.1	72%	0.718	72%	0.723	S	S	*	*				179	136.4	111.9	-88.2	-56.7	0	0	0	112.2
2184	N	26.9	Very low	27.2	Very low	131 Å²	131	124.6 Å²	124.6	70%	0.701	72%	0.724	S	S	*	*				26.2	141.9	112	-41.3	-12	0	0	0	117
2185	T	25.7	Very low	27.1	Very low	114 Å²	114	126 Å²	126	70%	0.699	72%	0.718	S	S	*	*			cis	-159.1	141	39	37.4	0	0	0	0	115
2186	I	25.7	Very low	27.2	Very low	139 Å²	139	126.9 Å²	126.9	71%	0.713	72%	0.724	S	S	*	*				47.3	119.5	125.1	-50	166.2	0	0	0	120
2187	T	27.6	Very low	27.3	Very low	141 Å²	141	126.5 Å²	126.5	87%	0.865	73%	0.726	S	S	*	*				-162.4	153.3	116.9	7.4	0	0	0	0	111.9
2188	N	25.7	Very low	27.4	Very low	148 Å²	148	126 Å²	126	79%	0.791	73%	0.728	S	S	*	*			trans	-118.3	150.3	-170.6	-68	-19.3	0	0	0	113.2
2189	T	30.9	Very low	27.3	Very low	130 Å²	130	126.5 Å²	126.5	80%	0.798	73%	0.726	S	S	*	*			trans	-172.9	119.1	144.6	14.4	0	0	0	0	103.8
2190	S	28.3	Very low	27.4	Very low	83 Å²	83	127.4 Å²	127.4	58%	0.58	73%	0.726	S	S	*	*			cis	58.3	131.1	47.9	100.7	0	0	0	0	111.7
2191	D	32	Very low	27.3	Very low	142 Å²	142	126.6 Å²	126.6	76%	0.759	73%	0.726	S	S	*	*			cis	-118.6	149.3	22.6	-55.2	-43.1	0	0	0	112.2
2192	N	28.6	Very low	27.2	Very low	139 Å²	139	126.2 Å²	126.2	74%	0.743	72%	0.724	S	S	*	*			cis	68.6	99.7	48.2	-83	-8.9	0	0	0	115.3
2193	T	29.6	Very low	27.2	Very low	128 Å²	128	127.7 Å²	127.7	79%	0.785	73%	0.733	S	S	*	*				-173.8	113.3	115.3	19.2	0	0	0	0	112
2194	T	28.3	Very low	27.1	Very low	111 Å²	111	127.1 Å²	127.1	68%	0.681	74%	0.736	S	S	*	*				42.3	143.8	120.3	56.2	0	0	0	0	120.8
2195	D	26.7	Very low	27	Very low	126 Å²	126	127.1 Å²	127.1	67%	0.674	74%	0.74	S	S	*	*			cis	-155.2	137.9	17.2	-122.3	-32.8	0	0	0	113.9
2196	T	26.9	Very low	27	Very low	113 Å²	113	128.3 Å²	128.3	69%	0.693	74%	0.742	S	S	*	*			trans	37.9	159.9	130.6	53.8	0	0	0	0	123.3
2197	T	27.1	Very low	27	Very low	126 Å²	126	127.4 Å²	127.4	77%	0.773	74%	0.743	S	S	*	*			cis	-148	171.1	11.7	-19.3	0	0	0	0	112.8
2198	T	29.1	Very low	26.9	Very low	113 Å²	113	126.6 Å²	126.6	69%	0.693	74%	0.738	S	S	*	*			trans	-87.2	-172.8	169.1	56.1	0	0	0	0	113.3
2199	D	24.6	Very low	26.9	Very low	131 Å²	131	125.4 Å²	125.4	70%	0.701	74%	0.737	S	S	*	*			trans	101.3	121.6	161.1	-58	-8.4	0	0	0	114.8
2200	N	26.2	Very low	26.8	Very low	140 Å²	140	126.1 Å²	126.1	75%	0.749	74%	0.736	S	S	*	*			cis	95.5	142.8	47.6	-89.4	-46	0	0	0	114
2201	T	23.9	Very low	26.6	Very low	118 Å²	118	128.2 Å²	128.2	72%	0.724	75%	0.745	S	S	*	*			trans	66.1	107.5	156.1	46.6	0	0	0	0	121.6
2202	T	24.4	Very low	26.3	Very low	122 Å²	122	127.6 Å²	127.6	75%	0.748	75%	0.747	S	S	*	*				55.4	119.9	128.7	61.7	0	0	0	0	122.3
2203	T	24.7	Very low	26.2	Very low	132 Å²	132	128 Å²	128	81%	0.81	75%	0.749	S	S	*	*				-179	132.7	112.8	26.1	0	0	0	0	107.9
2204	N	25.9	Very low	26	Very low	143 Å²	143	128.1 Å²	128.1	77%	0.765	75%	0.75	S	S	*	*				55.5	88.3	64.5	-83.6	16.7	0	0	0	115.2
2205	T	25.2	Very low	25.8	Very low	130 Å²	130	128.9 Å²	128.9	80%	0.798	75%	0.754	S	S	*	*				171.1	121.7	124.2	31.8	0	0	0	0	107.5
2206	D	26	Very low	25.8	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	76%	0.758	S	S	*	*				79.5	160.7	62.6	-84	-55.1	0	0	0	115.2
2207	T	25.1	Very low	25.8	Very low	119 Å²	119	128.3 Å²	128.3	73%	0.73	76%	0.759	S	S	*	*			trans	67.1	106.1	179.9	64.7	0	0	0	0	116.1
2208	T	26.2	Very low	25.8	Very low	124 Å²	124	128.9 Å²	128.9	76%	0.761	76%	0.758	S	S	*	*				56.3	127	75.9	71.9	0	0	0	0	112.3
2209	T	24.9	Very low	25.7	Very low	124 Å²	124	129 Å²	129	76%	0.761	75%	0.754	S	S	*	*				-152.5	148.4	58.5	37.6	0	0	0	0	110.5
2210	N	28.5	Very low	25.8	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	76%	0.755	S	S	*	*				66.1	144.9	65.5	-127.8	-5.6	0	0	0	113.4
2211	T	25.2	Very low	26	Very low	128 Å²	128	128 Å²	128	79%	0.785	75%	0.749	S	S	*	*			trans	79.9	138.4	-162.6	75.7	0	0	0	0	114.3
2212	T	25.1	Very low	26.1	Very low	128 Å²	128	129 Å²	129	79%	0.785	74%	0.74	S	S	*	*			cis	-147.6	159.2	-0.8	-12.6	0	0	0	0	112.8
2213	N	25.7	Very low	26.2	Very low	148 Å²	148	127.2 Å²	127.2	79%	0.791	73%	0.725	S	S	*	*			trans	-70.2	130.1	169.1	-67.6	-43.6	0	0	0	112.5
2214	T	25.7	Very low	26.2	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	71%	0.711	S	S	*	*			trans	-158.8	109.1	143.9	21.1	0	0	0	0	107.1
2215	T	24.7	Very low	26.2	Very low	127 Å²	127	127.6 Å²	127.6	78%	0.779	71%	0.706	S	S	*	*				54.7	52.8	56.4	77.4	0	0	0	0	115.6
2216	A	26	Very low	26.1	Very low	90 Å²	90	125 Å²	125	74%	0.744	68%	0.684	S	S	*	*			trans	-139.1	111.8	143.9	0	0	0	0	0	106.3
2217	N	27.9	Very low	26.2	Very low	136 Å²	136	123 Å²	123	73%	0.727	67%	0.673	S	S	*	*			cis	64	52.8	23	-155.5	29.4	0	0	0	114.4
2218	N	26.6	Very low	26.2	Very low	139 Å²	139	125.2 Å²	125.2	74%	0.743	68%	0.676	S	S	*	*			trans	-143.7	125.5	141.7	-89.6	-41.6	0	0	0	106
2219	N	28.2	Very low	26.1	Very low	115 Å²	115	124.8 Å²	124.8	62%	0.615	67%	0.668	S	S	*	*				53.3	89.8	58.7	-63.8	-34.2	0	0	0	112.3
2220	N	26.8	Very low	26.1	Very low	135 Å²	135	125.4 Å²	125.4	72%	0.722	67%	0.666	S	S	*	*				172.7	121.1	112.3	-87.1	-54.9	0	0	0	108.1
2221	N	29	Very low	25.9	Very low	115 Å²	115	127 Å²	127	62%	0.615	67%	0.666	S	S	*	*				60.9	101.9	79.9	-70.5	-45.6	0	0	0	113.4
2222	Y	26.3	Very low	25.9	Very low	138 Å²	138	127.1 Å²	127.1	54%	0.541	67%	0.667	S	S	.	*				-127.2	109.1	111.5	-114.1	-104.6	0	0	0	105.8	T2115 N2118	T2115-Y2222 HydrophobicContact CG2-CD1 4.07Å; T2115-Y2222 HydrophobicContact CG2-CE1 4.24Å; N2118-Y2222 VanDerWaalsContact CG-O 3.31Å; N2118-Y2222 PolarHBondContact ND2-O 3.03Å
2223	I	26.9	Very low	25.8	Very low	85 Å²	85	125.8 Å²	125.8	44%	0.436	66%	0.659	S	S	.	*				65.1	138.9	85	-66.6	166	0	0	0	109.4	T2116 T2117 N2118	T2116-I2223 WeakPolarHBondContact CB-O 3.38Å; T2116-I2223 PolarHBondContact OG1-O 3.49Å; T2117-I2223 CarbonylContact C-O 3.31Å; T2117-I2223 WeakPolarHBondContact CA-O 3.32Å; T2117-I2223 WeakPolarHBondContact CG2-O 3.36Å; N2118-I2223 VanDerWaalsContact N-C 3.34Å; N2118-I2223 PolarHBondContact N-O 2.88Å
2224	R	24.3	Very low	26	Very low	133 Å²	133	125 Å²	125	50%	0.502	65%	0.653	S	S	.	*			cis	-148.9	-144.3	-11.5	-159.2	-153.3	176	120.5	-1.5	108.2	T2117 N2118 I2119 Q2226	T2117-R2224 CarbonylContact C-O 3.42Å; T2117-R2224 VanDerWaalsContact CB-N 3.27Å; T2117-R2224 WeakPolarHBondContact CB-O 3.41Å; T2117-R2224 HydrophobicContact CG2-CB 4.31Å; T2117-R2224 VanDerWaalsContact CG2-N 3.27Å; N2118-R2224 CarbonylContact C-O 3.56Å; N2118-R2224 VanDerWaalsContact CA-O 3.27Å; N2118-R2224 WeakPolarHBondContact CA-O 3.36Å; N2118-R2224 PolarHBondContact N-O 3.21Å; N2118-R2224 CarbonylContact O-C 3.59Å; N2118-R2224 WeakPolarHBondContact O-CA 3.43Å; N2118-R2224 PolarHBondContact O-N 3.19Å; I2119-R2224 HydrophobicContact CD1-CG 4.23Å; I2119-R2224 PolarHBondContact N-O 3.44Å; R2224-Q2226 PolarHBondContact O-N 2.91Å
2225	F	26.2	Very low	26.1	Very low	151 Å²	151	124.6 Å²	124.6	66%	0.662	65%	0.653	S	S	*	*			trans	45.9	65.5	167.4	-63.7	-66.3	0	0	0	115.5	T2117	T2117-F2225 HydrophobicContact CG2-CD2 4.24Å
2226	Q	23.3	Very low	26.1	Very low	75 Å²	75	123.4 Å²	123.4	35%	0.35	64%	0.642	S	S	.	*			cis	67.9	138.2	37.9	-164.6	166.8	28.9	0	0	113.5	I2119 R2224	I2119-Q2226 HydrophobicContact CB-CB 3.8Å; I2119-Q2226 HydrophobicContact CB-CG 4.35Å; I2119-Q2226 HydrophobicContact CD1-CB 3.9Å; I2119-Q2226 HydrophobicContact CD1-CG 4.13Å; I2119-Q2226 HydrophobicContact CG1-CB 4.48Å; I2119-Q2226 HydrophobicContact CG2-CB 3.79Å; I2119-Q2226 HydrophobicContact CG2-CG 3.86Å; R2224-Q2226 PolarHBondContact O-N 2.91Å
2227	N	28.6	Very low	26.1	Very low	97 Å²	97	125.8 Å²	125.8	52%	0.519	64%	0.638	S	S	.	*			trans	-32.5	149.2	163.9	-53.3	-48.1	0	0	0	113.5	D2121	D2121-N2227 PolarHBondContact OD2-ND2 2.63Å
2228	E	23.7	Very low	26.1	Very low	166 Å²	166	128.1 Å²	128.1	78%	0.776	64%	0.638	S	S	*	*				-172.7	159.9	110	-106.6	177.8	-176.4	0	0	114.5
2229	I	24.4	Very low	26.2	Very low	116 Å²	116	126.6 Å²	126.6	60%	0.595	63%	0.628	S	S	*	*			trans	60.9	102.1	140.5	-69.5	170.4	0	0	0	117.1
2230	N	25.1	Very low	26.3	Very low	137 Å²	137	127.2 Å²	127.2	73%	0.733	63%	0.632	S	S	*	*	S	Bend		40.1	93.8	78	-81.5	-72.6	0	0	0	116
2231	K	25.3	Very low	26.3	Very low	177 Å²	177	126.5 Å²	126.5	77%	0.77	63%	0.628	S	S	*	*			trans	63.8	91.9	151.7	-47.9	167.4	-176.5	173.6	0	117.4
2232	V	23.8	Very low	26.2	Very low	131 Å²	131	127.2 Å²	127.2	79%	0.794	63%	0.631	S	S	*	*			trans	-137.6	82.2	152.5	-176.1	0	0	0	0	107.7
2233	T	23.3	Very low	26.2	Very low	100 Å²	100	126.2 Å²	126.2	61%	0.613	64%	0.635	S	S	*	*				73.6	105	75.2	66.4	0	0	0	0	116.6
2234	L	30.4	Very low	26.2	Very low	130 Å²	130	128.9 Å²	128.9	68%	0.681	65%	0.648	S	S	*	*			trans	68	160.2	141.4	-59.4	172.7	0	0	0	116.9
2235	P	27.3	Very low	26.4	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	66%	0.656	S	S	*	*			cis	-75.5	135.9	9.6	-9.8	28.7	0	0	0	112.9
2236	N	25.1	Very low	26.4	Very low	101 Å²	101	128.5 Å²	128.5	54%	0.54	66%	0.663	S	S	.	*				75.5	134.9	66.4	-82	-42.2	0	0	0	114.6
2237	Q	26.2	Very low	27	Very low	140 Å²	140	128.4 Å²	128.4	65%	0.654	67%	0.669	S	S	*	*			trans	69.5	129.2	150.9	-71.1	167.4	29.1	0	0	116.8
2238	Y	27.8	Very low	26.9	Very low	185 Å²	185	134 Å²	134	73%	0.725	68%	0.683	S	S	*	*			cis	-112.1	142.8	2.1	-90.3	-108	0	0	0	109.2
2239	I	28.8	Very low	27	Very low	107 Å²	107	132.5 Å²	132.5	55%	0.549	68%	0.68	S	S	.	*				57.6	118.7	69.3	-61.6	162	0	0	0	108.7
2240	D	31	Very low	27.2	Very low	129 Å²	129	133.8 Å²	133.8	69%	0.69	69%	0.688	S	S	*	*			cis	-114	156.6	21.7	-88.3	-58.1	0	0	0	112.4
2241	N	25.6	Very low	27.4	Very low	120 Å²	120	132 Å²	132	64%	0.642	69%	0.686	S	S	*	*				56.1	145.2	63	-58.8	-48.1	0	0	0	112.1
2242	I	26.3	Very low	27.4	Very low	130 Å²	130	130.1 Å²	130.1	67%	0.667	68%	0.683	S	S	*	*			cis	-160.4	-179.3	-1	-122.9	166.4	0	0	0	107.4
2243	N	27.6	Very low	27.7	Very low	117 Å²	117	130.4 Å²	130.4	63%	0.626	68%	0.675	S	S	*	*			trans	73	121.6	165	-85.8	-12.9	0	0	0	115	N2245	N2243-N2245 PolarHBondContact OD1-ND2 3.48Å
2244	I	26.9	Very low	28.1	Very low	140 Å²	140	132.9 Å²	132.9	72%	0.718	68%	0.68	S	S	*	*			cis	62	138.1	30.6	-33.7	162.7	0	0	0	111.9
2245	N	28.1	Very low	27.9	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	68%	0.675	S	S	*	*			trans	82.2	107.8	171	-45.1	-67	0	0	0	116.8	N2243	N2243-N2245 PolarHBondContact OD1-ND2 3.48Å
2246	D	25.3	Very low	28	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	67%	0.669	S	S	*	*				77.6	173.6	118.4	-135.1	33.2	0	0	0	116.5
2247	P	36.5	Very low	28	Very low	73 Å²	73	131.7 Å²	131.7	47%	0.474	67%	0.673	S	S	.	*				-131.6	177.5	-98.4	40.9	-24.5	0	0	0	113.2
2248	R	26.6	Very low	28.2	Very low	216 Å²	216	132.4 Å²	132.4	82%	0.815	68%	0.68	S	S	*	*			trans	169.6	116.6	141.1	-96.1	155	-72.1	-166.9	-4.1	107.6
2249	D	25.7	Very low	28	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	68%	0.682	S	S	*	*				59.9	96.9	84.7	-71.9	-40.8	0	0	0	113.5
2250	N	29	Very low	28.1	Very low	143 Å²	143	132.3 Å²	132.3	77%	0.765	69%	0.691	S	S	*	*				175.3	104.1	108.2	-86.4	-54.6	0	0	0	107.9
2251	S	28.1	Very low	27.7	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	70%	0.695	S	S	*	*				76.9	138.9	90.6	79.5	0	0	0	0	112.8
2252	I	26.9	Very low	27.9	Very low	138 Å²	138	131.1 Å²	131.1	71%	0.708	70%	0.696	S	S	*	*			cis	-171	155.6	-6.6	-133.5	170.6	0	0	0	105.3
2253	H	30.3	Very low	27.9	Very low	137 Å²	137	133.6 Å²	133.6	63%	0.634	70%	0.704	S	S	*	*			cis	-131.8	-152.3	-1	-96.9	-66.8	0	0	0	105.9
2254	H	30.8	Very low	27.8	Very low	152 Å²	152	136 Å²	136	70%	0.704	71%	0.712	S	S	*	*			cis	-166.7	160.1	-12.9	-107.6	-36.9	0	0	0	103.8
2255	C	26.3	Very low	27.6	Very low	87 Å²	87	134.4 Å²	134.4	59%	0.588	71%	0.708	S	S	*	*			cis	-160	154.3	-10.1	-129.6	0	0	0	0	109.8
2256	N	28.5	Very low	27.5	Very low	124 Å²	124	133.7 Å²	133.7	66%	0.663	71%	0.705	S	S	*	*				14.7	158	124.3	-53.3	60.3	0	0	0	120.5
2257	D	26.3	Very low	27.4	Very low	120 Å²	120	135.8 Å²	135.8	64%	0.642	70%	0.701	S	S	*	*			cis	-178.6	-179.3	-16.6	-89.2	-26.8	0	0	0	107.5
2258	I	28.9	Very low	27	Very low	154 Å²	154	138.5 Å²	138.5	79%	0.79	71%	0.712	S	S	*	*			trans	68.5	127.5	156.5	-68.1	146.9	0	0	0	116.2
2259	L	25.1	Very low	27.1	Very low	149 Å²	149	136.7 Å²	136.7	78%	0.78	71%	0.713	S	S	*	*			cis	71.8	92.7	2.4	-138.2	-179.1	0	0	0	117.2
2260	I	29.6	Very low	27.2	Very low	141 Å²	141	137.8 Å²	137.8	72%	0.723	71%	0.714	S	S	*	*			trans	159.4	131.2	145.5	-84.6	156.4	0	0	0	112.4
2261	D	24.1	Very low	27.2	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	71%	0.708	S	S	*	*			trans	16.9	151	150	-50.3	-36.2	0	0	0	126
2262	A	28.3	Very low	27.1	Very low	79 Å²	79	139.4 Å²	139.4	65%	0.653	71%	0.713	S	S	*	*			trans	73	110.1	133.2	0	0	0	0	0	123
2263	E	26.5	Very low	27.1	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	71%	0.714	S	S	*	*				64.7	176.4	119.3	-61.2	-172.4	126	0	0	121.4
2264	E	25.7	Very low	26.9	Very low	168 Å²	168	137 Å²	137	79%	0.785	72%	0.715	S	S	*	*			trans	49.6	75.1	168	-55.5	-142.1	127.2	0	0	117.6
2265	T	24.1	Very low	26.8	Very low	105 Å²	105	137.3 Å²	137.3	64%	0.644	71%	0.714	S	S	*	*				75.2	168	76.2	73.8	0	0	0	0	115.6
2266	N	24.1	Very low	26.8	Very low	111 Å²	111	140 Å²	140	59%	0.594	72%	0.718	S	S	*	*			trans	55.3	109.6	148.1	-76.2	-62.8	0	0	0	116.8
2267	R	25.1	Very low	26.7	Very low	195 Å²	195	138.2 Å²	138.2	74%	0.736	72%	0.716	S	S	*	*			cis	-179.1	162.5	43.9	-103	150.7	-156.8	169.5	10.9	111.5
2268	N	26.2	Very low	26.8	Very low	130 Å²	130	141 Å²	141	70%	0.695	72%	0.724	S	S	*	*			trans	40.9	112.8	142.5	-49.3	-1	0	0	0	119.2
2269	E	28.7	Very low	26.7	Very low	178 Å²	178	135.8 Å²	135.8	83%	0.832	71%	0.709	S	S	*	*				167.8	139.3	109.7	-90.4	167.9	-148.5	0	0	109.9
2270	E	28	Very low	26.7	Very low	157 Å²	157	134 Å²	134	73%	0.734	71%	0.709	S	S	*	*			cis	-160.1	145.7	-25.8	-133.1	-169.3	-157.2	0	0	110
2271	N	28.8	Very low	26.6	Very low	122 Å²	122	136.4 Å²	136.4	65%	0.652	72%	0.715	S	S	*	*			trans	62.4	134.5	154.3	-68.7	-47.6	0	0	0	123
2272	L	27	Very low	26.8	Very low	152 Å²	152	136.4 Å²	136.4	80%	0.796	71%	0.712	S	S	*	*			trans	87.4	95.3	159.2	-61.9	141	0	0	0	117.8
2273	V	27.3	Very low	26.7	Very low	118 Å²	118	140 Å²	140	72%	0.715	72%	0.715	S	S	*	*				95.1	122.4	64.4	157.6	0	0	0	0	110.6
2274	T	25.9	Very low	26.8	Very low	107 Å²	107	139.6 Å²	139.6	66%	0.656	71%	0.713	S	S	*	*			cis	-167.5	158.7	2.9	16.2	0	0	0	0	112.1
2275	K	27.5	Very low	26.8	Very low	158 Å²	158	135.6 Å²	135.6	69%	0.687	70%	0.704	S	S	*	*			trans	66.2	156.5	148.7	-69.7	176.7	164.1	-70.5	0	117.4
2276	E	26.8	Very low	26.8	Very low	144 Å²	144	135.5 Å²	135.5	67%	0.673	71%	0.707	S	S	*	*			cis	-174.3	153.1	-21.2	-104	158.5	-170.5	0	0	103.5
2277	S	27.8	Very low	26.9	Very low	87 Å²	87	138.7 Å²	138.7	61%	0.608	72%	0.719	S	S	*	*			cis	-169.8	147	-3.7	46.1	0	0	0	0	108.8
2278	E	27.4	Very low	27.1	Very low	177 Å²	177	136.7 Å²	136.7	83%	0.827	72%	0.723	S	S	*	*			trans	46.2	144.3	137.4	-62.3	149.9	-148	0	0	121.5
2279	G	28	Very low	27	Very low	46 Å²	46	136.7 Å²	136.7	47%	0.474	73%	0.727	S	S	.	*			cis	-177.3	143.9	1.9	0	0	0	0	0	109.4
2280	S	24.8	Very low	26.7	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	72%	0.718	S	S	*	*				96.9	112.6	74.8	66.2	0	0	0	0	113.9
2281	F	27.5	Very low	26.6	Very low	192 Å²	192	132 Å²	132	84%	0.842	72%	0.719	S	S	*	*			trans	-171.1	135.7	144.6	-112.2	-66.1	0	0	0	112.5
2282	M	28.6	Very low	26.3	Very low	146 Å²	146	130.8 Å²	130.8	72%	0.719	72%	0.72	S	S	*	*			trans	62.9	131	170.4	-53.6	-159.6	151.9	0	0	116.6
2283	E	25.2	Very low	26.2	Very low	155 Å²	155	129.6 Å²	129.6	72%	0.724	71%	0.713	S	S	*	*			cis	73.5	133.3	45.1	-57.3	159.5	149.3	0	0	110.7
2284	E	28.3	Very low	25.9	Very low	173 Å²	173	130.6 Å²	130.6	81%	0.808	71%	0.714	S	S	*	*			cis	-155.3	171.7	16.9	-140.2	173.3	-174.3	0	0	113.6
2285	S	25.9	Very low	25.8	Very low	84 Å²	84	132.9 Å²	132.9	59%	0.587	72%	0.717	S	S	*	*			trans	5.4	126.6	152.5	51	0	0	0	0	119.8
2286	S	23.6	Very low	25.6	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	72%	0.716	S	S	*	*				88.5	156.3	57.9	78.5	0	0	0	0	115.6
2287	E	26.8	Very low	25.5	Very low	177 Å²	177	129 Å²	129	83%	0.827	71%	0.705	S	S	*	*			trans	70.4	123.4	176.3	-52.8	-171.9	150.4	0	0	115.5
2288	N	29.5	Very low	25.4	Very low	154 Å²	154	127.3 Å²	127.3	82%	0.824	69%	0.694	S	S	*	*				69.7	128	62	-87.1	-21	0	0	0	115
2289	V	23.6	Very low	25.3	Very low	130 Å²	130	124.1 Å²	124.1	79%	0.788	70%	0.698	S	S	*	*			trans	57.1	98.9	170.7	-170.6	0	0	0	0	113.7
2290	S	23.6	Very low	25.3	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	72%	0.717	S	S	*	*				-157.1	148.3	72	-55.4	0	0	0	0	108.8	S2292	S2290-S2292 VanDerWaalsContact C-N 3.33Å
2291	L	24.1	Very low	25.2	Very low	147 Å²	147	130.5 Å²	130.5	77%	0.77	71%	0.706	S	S	*	*			cis	57.6	36.2	28.8	-131.2	167.7	0	0	0	114.9	I2293	L2291-I2293 HydrophobicContact CD2-CD1 3.55Å; L2291-I2293 HydrophobicContact CD2-CG1 4.08Å
2292	S	23.5	Very low	25	Very low	96 Å²	96	125.7 Å²	125.7	67%	0.671	70%	0.695	S	S	*	*			trans	-120.4	113	152.8	-45.7	0	0	0	0	104.7	S2290	S2290-S2292 VanDerWaalsContact C-N 3.33Å
2293	I	24.2	Very low	25	Very low	126 Å²	126	127.1 Å²	127.1	65%	0.646	71%	0.706	S	S	*	*			cis	53.6	133.3	25.9	-54.7	-166	0	0	0	111.5	L2291	L2291-I2293 HydrophobicContact CD2-CD1 3.55Å; L2291-I2293 HydrophobicContact CD2-CG1 4.08Å
2294	L	21.5	Very low	25	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	71%	0.709	S	S	*	*			trans	71	121.1	-161.2	-45.7	175	0	0	0	111.5
2295	Q	23.5	Very low	24.9	Very low	155 Å²	155	129.4 Å²	129.4	72%	0.724	71%	0.709	S	S	*	*			cis	-125.5	156.8	-10.3	-81.2	110.3	-26.7	0	0	107.6
2296	M	24	Very low	24.9	Very low	134 Å²	134	135.5 Å²	135.5	66%	0.66	72%	0.721	S	S	*	*				46	128.6	69.8	-49.2	175.7	75.2	0	0	110.8
2297	D	24.5	Very low	24.9	Very low	85 Å²	85	134.8 Å²	134.8	46%	0.455	71%	0.712	S	S	.	*			cis	-107.6	114.5	27.9	-63	-45.1	0	0	0	115.8	A2299	D2297-A2299 PolarHBondContact O-N 3.2Å
2298	S	26	Very low	24.8	Very low	53 Å²	53	132.6 Å²	132.6	37%	0.371	71%	0.706	S	S	.	*			trans	-51	113.8	149.3	40.4	0	0	0	0	112.2	Q2300 I2301	S2298-Q2300 PolarHBondContact O-N 3.09Å; S2298-I2301 WeakPolarHBondContact OG-CD1 3.35Å; S2298-I2301 VanDerWaalsContact OG-CG1 3.28Å; S2298-I2301 WeakPolarHBondContact OG-CG1 3.4Å
2299	A	25.5	Very low	24.5	Very low	110 Å²	110	131.8 Å²	131.8	91%	0.909	71%	0.707	S	S	*	*	S	Bend	trans	-79.9	30.8	151	0	0	0	0	0	111.9	D2297	D2297-A2299 PolarHBondContact O-N 3.2Å
2300	Q	26.4	Very low	24.5	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	70%	0.703	S	S	*	*			trans	-124.9	79	156	-75.7	-166	-67.1	0	0	107.1	S2298	S2298-Q2300 PolarHBondContact O-N 3.09Å
2301	I	24.5	Very low	24.6	Very low	105 Å²	105	133.2 Å²	133.2	54%	0.538	71%	0.706	S	S	.	*			trans	-127.1	128	164.3	-65.6	177.7	0	0	0	106	S2298	S2298-I2301 WeakPolarHBondContact OG-CD1 3.35Å; S2298-I2301 VanDerWaalsContact OG-CG1 3.28Å; S2298-I2301 WeakPolarHBondContact OG-CG1 3.4Å
2302	S	23.2	Very low	24.6	Very low	90 Å²	90	133.3 Å²	133.3	63%	0.629	70%	0.702	S	S	*	*	S	Bend	trans	46.7	109.2	177	54.2	0	0	0	0	115.8
2303	D	26.6	Very low	24.6	Very low	176 Å²	176	138 Å²	138	94%	0.941	71%	0.71	S	S	*	*	S	Bend	cis	-104.5	83.8	37.5	-68.9	-45.9	0	0	0	116.1
2304	Q	25.7	Very low	24.6	Very low	167 Å²	167	138.5 Å²	138.5	78%	0.78	71%	0.714	S	S	*	*	S	Bend	trans	-123.4	107.3	141	-166	170.6	32.1	0	0	107.9
2305	Y	25.9	Very low	24.8	Very low	209 Å²	209	138.3 Å²	138.3	82%	0.82	71%	0.714	S	S	*	*			trans	52.3	99.9	170.1	-78.9	-94.4	0	0	0	118.4	V2307	Y2305-V2307 PolarHBondContact O-N 2.89Å
2306	Y	27	Very low	24.8	Very low	213 Å²	213	135.7 Å²	135.7	84%	0.835	71%	0.711	S	S	*	*			trans	-55	121.8	143.2	-156.9	-102.8	0	0	0	109.8
2307	V	24.1	Very low	24.9	Very low	87 Å²	87	136.4 Å²	136.4	53%	0.527	72%	0.718	S	S	.	*			trans	57.8	107.2	150.1	179.7	0	0	0	0	118.8	Y2305	Y2305-V2307 PolarHBondContact O-N 2.89Å
2308	N	23.4	Very low	25	Very low	131 Å²	131	141 Å²	141	70%	0.701	74%	0.737	S	S	*	*			trans	2.7	123.8	135.2	-67.9	-51	0	0	0	118.3	V2310	N2308-V2310 PolarHBondContact O-N 3.48Å; N2308-V2310 VanDerWaalsContact O-N 3.11Å
2309	T	23.9	Very low	25.2	Very low	138 Å²	138	144.4 Å²	144.4	85%	0.847	76%	0.755	S	S	*	*				49.5	55.3	119.1	-37.1	0	0	0	0	117.2
2310	V	23.4	Very low	25.2	Very low	115 Å²	115	144 Å²	144	70%	0.697	75%	0.745	S	S	*	*			trans	-113	96.5	165.4	-178.7	0	0	0	0	110.5	N2308	N2308-V2310 PolarHBondContact O-N 3.48Å; N2308-V2310 VanDerWaalsContact O-N 3.11Å
2311	I	25	Very low	25.2	Very low	135 Å²	135	140.5 Å²	140.5	69%	0.692	74%	0.741	S	S	*	*	S	Bend	trans	80	134.4	148.5	-62.8	172.7	0	0	0	118.7
2312	E	24	Very low	25.3	Very low	149 Å²	149	140.9 Å²	140.9	70%	0.696	75%	0.753	S	S	*	*			trans	55.9	94.9	160.4	-73.8	153.5	-145.8	0	0	122
2313	K	24.5	Very low	25.7	Very low	193 Å²	193	143.7 Å²	143.7	84%	0.839	76%	0.76	S	S	*	*	S	Bend		-70.1	144.9	111.4	-74.2	-179.8	176.6	175.8	0	109
2314	N	24.8	Very low	25.7	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	76%	0.758	S	S	*	*			trans	92.4	61.9	170.4	-49	-17.2	0	0	0	118.2
2315	N	25.2	Very low	25.6	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	76%	0.76	S	S	*	*				-163.8	124.1	120.3	-95.9	-36.3	0	0	0	109.5
2316	C	22.8	Very low	25.7	Very low	99 Å²	99	146.9 Å²	146.9	67%	0.669	78%	0.782	S	S	*	*				69.6	98.2	86.1	-66.6	0	0	0	0	113.6
2317	N	26.2	Very low	25.7	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	78%	0.779	S	S	*	*			trans	36.8	113	134.1	-47.3	-25.8	0	0	0	118.2
2318	E	26.5	Very low	25.8	Very low	183 Å²	183	146.6 Å²	146.6	86%	0.855	79%	0.792	S	S	*	*				-175.1	168.4	109	-105.9	172.5	-162.6	0	0	113.9
2319	V	31.5	Very low	25.9	Very low	124 Å²	124	147.4 Å²	147.4	75%	0.752	80%	0.797	S	S	*	*			trans	41.3	92.4	157.1	-179	0	0	0	0	116
2320	S	25.4	Very low	26	Very low	100 Å²	100	148 Å²	148	70%	0.699	80%	0.795	S	S	*	*				61.2	132.3	53.8	-170.3	0	0	0	0	115.8
2321	S	25.2	Very low	26.2	Very low	113 Å²	113	150.1 Å²	150.1	79%	0.79	80%	0.801	S	S	*	*			trans	65.2	51	153.7	47.5	0	0	0	0	119.3
2322	S	26.2	Very low	26.3	Very low	113 Å²	113	151.1 Å²	151.1	79%	0.79	81%	0.808	S	S	*	*			trans	-165.6	138.9	143	-133.1	0	0	0	0	108.4
2323	I	32.3	Very low	26.4	Very low	149 Å²	149	151.2 Å²	151.2	76%	0.764	82%	0.816	S	S	*	*			cis	-127.7	130.8	9.4	-66.9	164	0	0	0	108.5	N2325	I2323-N2325 PolarHBondContact O-N 2.96Å
2324	Q	26.1	Very low	26.6	Very low	191 Å²	191	148 Å²	148	89%	0.893	81%	0.814	S	S	*	*			trans	-85.6	94.4	170.7	-68.9	-178.3	-91.3	0	0	110.1
2325	N	24.1	Very low	26.7	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	82%	0.82	S	S	*	*			trans	168.6	86	149.2	-89.5	-12.9	0	0	0	111.3	I2323	I2323-N2325 PolarHBondContact O-N 2.96Å
2326	Q	29.2	Very low	26.8	Very low	275 Å²	275	150 Å²	150	100%	1.285	83%	0.829	S	S	*	*			trans	-160.6	0	146.6	-120	176.7	-5	0	0	110

Retrieved 2,326 of 2,326 residues in 2430.1 ms (Link to these results)

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