A0A087YMJ7_POEFO Loading...

Laminin subunit gamma-2

AlphaFold DB , UniProt , Accession A0A087YMJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,140 aa.

						>A0A087YMJ7_POEFO|A0A087YMJ7
MQSCWVLLCVVLAALGSVQTTYTSYFSDVSLSSVLPSRPAAASRCECGGRARLCQRDAWGLRCLDCQGNTEGRHCERCKDGFYQQGARLSCTPCSCNPAGSVSNTCDSRGRCSCKDGVSGDKCDLCPDGPMGADGCRRRRQEREDSGSLTLPCFCYGHSERCSARPGFSVHNVSSTFSSGPDGWTVATVQRTTPQDVLFRWSPKHQDLEVISKQSLPTYLYAPDAYLGNKLLSYGQNLSFSLRLDRGVRHPSTSDVVLEGGGLRVAAALGDLRAVVPCGKKISYTFRLDEKSSSKWKPQLSSFEFQKLLQNLTAIKIRATFGEDGRGYLDNVNLVSARRGDGVAAGWVQTCTCPPGYEGDFCERCSAGFRRRAPSSGAFSACEPCSCRGGSCDPQTGDCYSADETPGERSCSEGFYRDQQGSCERCPCPDRTSCSLQAGALEPQCLRCPPGTFGFYCDTCREGFYGDPAGLRGAQRPCRPCSCNGHIDVNAAGSCDRSSGECLRCLNNTTGRFCESCLPRFYRDPSGTACKPCSCNILGSEDDQCDAAGRCRCRPGFQGPRCDRSDCPTCFTPIRKKMELYSIKLKELELLFSEPGQVPTNRAEMEAALRAMEGLMKNLQQDAEQLTDQEKSLQTRLSSISSRQLTEEQQVQNISQTVKHIGQQQRTFKSKVQEVETLIGAMKKLLDEAKTKIQAVELPVRDDPLTSGSLSSLVQQATGLADKHKTAADSVEQTANEALSDSKQSLDLVRTLMNKENKVKELIGDLQDLYDKTSADVKSLEKRAGSLSDDAKQETKMADSMLKDISRLEKNLPSSMKDAVDAMATRLDALKEAAQKNMSAVDDLLGAVEDDRTDAEDLLDQGQTAQQEFNELLDRVRTAKAETDKALQSVGPNNDLDDTLSTLRGFDQQISDSKAEADEAIKRLPNINGTIQAAVGKNGQAQSVLDAASKDHDEAMGNINALDGLAKNLQNTAGSLPDAGGLVSEADKLNQEAKSLKAGAEQTAEGLRDGLKEAEELAAGAQEAAAGATAALANAKQSKDAVQETLRSVSNMLANLNSGPVVDEEQLRRLEEALGRAEAEVLVRLRPQLDDMEDQEEAHRRRLTAINADIDSILRDIANLEDIRDSIPAGCYNTPPIEEP
					

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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	29.4	Very low	33.6	Very low	229 Å²	229	143.6 Å²	143.6	100%	1.128	78%	0.779	S	S	*	*				0	136.3	0	-58.7	169	171.9	0	0	107.4
2	Q	33.6	Very low	33.4	Very low	161 Å²	161	144.8 Å²	144.8	75%	0.752	78%	0.783	S	S	*	*			cis	-162.7	121.6	-24	-131.3	149.2	-43.1	0	0	108.1
3	S	34.9	Very low	33.4	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	78%	0.78	S	S	*	*				61.7	147.8	124.4	-58	0	0	0	0	121.9
4	C	36	Very low	33.5	Very low	97 Å²	97	136.6 Å²	136.6	66%	0.655	77%	0.774	S	S	*	*			cis	-173.1	146.8	-13.6	-105	0	0	0	0	110
5	W	36	Very low	33.8	Very low	228 Å²	228	139.6 Å²	139.6	86%	0.864	79%	0.786	S	S	*	*			trans	64.6	148.8	138.1	-75.6	56.5	0	0	0	119.8
6	V	37.5	Very low	34.2	Very low	98 Å²	98	135.1 Å²	135.1	59%	0.594	78%	0.78	S	S	*	*			cis	-164.6	161.8	-10.1	77.8	0	0	0	0	111.4
7	L	34.7	Very low	34.6	Very low	138 Å²	138	129.5 Å²	129.5	72%	0.723	75%	0.751	S	S	*	*			trans	63.6	156.5	166.1	-69.2	167.1	0	0	0	117.1
8	L	31.6	Very low	34.9	Very low	156 Å²	156	123.1 Å²	123.1	82%	0.817	71%	0.714	S	S	*	*			cis	-137.9	159.7	4.4	-150.4	134.3	0	0	0	110.6
9	C	32.3	Very low	35.1	Very low	112 Å²	112	120.3 Å²	120.3	76%	0.757	69%	0.694	S	S	*	*			trans	-103.4	150.5	-149.7	-52.6	0	0	0	0	118.8
10	V	29.1	Very low	35.4	Very low	133 Å²	133	115.8 Å²	115.8	81%	0.806	67%	0.668	S	S	*	*			trans	-147.9	117	174.6	161.6	0	0	0	0	112.8
11	V	34.9	Very low	35.6	Very low	128 Å²	128	113.4 Å²	113.4	78%	0.776	66%	0.656	S	S	*	*			trans	67.8	145.4	136.8	175.3	0	0	0	0	124.8
12	L	31.1	Very low	35.7	Very low	157 Å²	157	109.1 Å²	109.1	82%	0.822	63%	0.628	S	S	*	*			trans	94.3	126.5	153.1	-91.8	165.3	0	0	0	125.5
13	A	33.4	Very low	35.7	Very low	90 Å²	90	106.4 Å²	106.4	74%	0.744	62%	0.623	S	S	*	*			trans	42.8	159.8	137.1	0	0	0	0	0	125.6
14	A	34.8	Very low	35.7	Very low	85 Å²	85	106.3 Å²	106.3	70%	0.702	62%	0.622	S	S	*	*			cis	-176.5	150.4	-26.6	0	0	0	0	0	113.7
15	L	38.5	Very low	35.5	Very low	182 Å²	182	111 Å²	111	95%	0.953	63%	0.627	S	S	*	*			trans	57.3	161.4	159.9	-61.2	169.2	0	0	0	119.2
16	G	39.7	Very low	35.2	Very low	67 Å²	67	108.1 Å²	108.1	69%	0.691	62%	0.621	S	S	*	*			cis	-173.5	-157.6	1.6	0	0	0	0	0	108.4
17	S	41.3	Very low	34.9	Very low	41 Å²	41	108 Å²	108	29%	0.287	62%	0.624	S	S	.	*			cis	168.4	171.9	-23.5	54.8	0	0	0	0	108.1	D80	S17-D80 CarbonylContact C-O 3.48Å; S17-D80 VanDerWaalsContact C-O 3.3Å; S17-D80 VanDerWaalsContact CA-O 3.24Å; S17-D80 WeakPolarHBondContact CA-O 3.23Å
18	V	38.8	Very low	34.8	Very low	13 Å²	13	108.2 Å²	108.2	8%	0.079	63%	0.626	C	S	.	*			cis	-159.5	157.2	16.7	-144.7	0	0	0	0	114.1	D80 G81 F82 C94 N104 T105	V18-D80 WeakPolarHBondContact CA-OD1 3.48Å; V18-D80 HydrophobicContact CG1-CB 4.48Å; V18-D80 VanDerWaalsContact CG1-OD1 3.23Å; V18-D80 WeakPolarHBondContact CG1-OD1 3.49Å; V18-G81 VanDerWaalsContact CA-N 3.28Å; V18-G81 CarbonylContact O-C 3.55Å; V18-G81 WeakPolarHBondContact O-CA 3.45Å; V18-G81 PolarHBondContact O-N 3.08Å; V18-G81 VanDerWaalsContact O-N 3.12Å; V18-F82 PolarHBondContact O-N 3.15Å; V18-C94 PolarHBondContact O-SG 3.34Å; V18-N104 WeakPolarHBondContact CG2-O 3.27Å; V18-T105 HydrophobicContact CB-CG2 4.14Å; V18-T105 HydrophobicContact CG1-CG2 4.02Å; V18-T105 VanDerWaalsContact CG2-CA 3.41Å; V18-T105 HydrophobicContact CG2-CG2 3.43Å; V18-T105 VanDerWaalsContact CG2-CG2 3.43Å
19	Q	40.1	Very low	34.6	Very low	71 Å²	71	107.5 Å²	107.5	33%	0.332	63%	0.628	S	S	.	*			trans	62	0	141.4	-88	177.8	-68.4	0	0	132.1	K79 D80 F82 Y83 C106	Q19-K79 PolarHBondContact N-O 3.17Å; Q19-D80 PolarHBondContact N-OD1 3.38Å; Q19-D80 VanDerWaalsContact N-OD1 3.09Å; Q19-F82 CarbonylContact C-O 3.06Å; Q19-F82 CarbonylContact O-C 3.57Å; Q19-Y83 WeakPolarHBondContact O-CA 3.48Å; Q19-Y83 VanDerWaalsContact O-CB 3.25Å; Q19-Y83 WeakPolarHBondContact O-CB 3.48Å; Q19-Y83 PolarHBondContact O-N 3.1Å; Q19-Y83 VanDerWaalsContact O-N 3.09Å; Q19-C106 WeakPolarHBondContact CB-O 3.48Å; Q19-C106 PolarHBondContact NE2-O 3.32Å; Q19-C106 PolarHBondContact OE1-O 3.17Å
20	T	40.2	Very low	34.5	Very low	29 Å²	29	106.9 Å²	106.9	18%	0.178	63%	0.625	C	S	.	*				0	152	0	42	0	0	0	0	130.5	Y83 Q84 C106 D107 S108	T20-Y83 CarbonylContact O-C 3.5Å; T20-Y83 WeakPolarHBondContact O-CA 3.32Å; T20-Y83 WeakPolarHBondContact OG1-CB 3.46Å; T20-Q84 PolarHBondContact O-N 2.83Å; T20-C106 PolarHBondContact OG1-O 2.7Å; T20-D107 VanDerWaalsContact CB-C 3.49Å; T20-D107 WeakPolarHBondContact CB-O 3.44Å; T20-D107 WeakPolarHBondContact CG2-O 3.47Å; T20-D107 PolarHBondContact OG1-O 2.79Å; T20-S108 VanDerWaalsContact CB-CA 3.45Å; T20-S108 VanDerWaalsContact CG2-CA 3.47Å
21	T	40.3	Very low	34.5	Very low	67 Å²	67	107.3 Å²	107.3	41%	0.411	62%	0.622	S	S	.	*			trans	165.3	-165.2	150.7	-56.1	0	0	0	0	117.3	Q84 S108	T21-Q84 WeakPolarHBondContact CB-O 3.44Å; T21-Q84 PolarHBondContact OG1-O 3.3Å; T21-S108 WeakPolarHBondContact CA-O 3.3Å; T21-S108 PolarHBondContact N-O 3.01Å; T21-S108 PolarHBondContact OG1-O 2.88Å
22	Y	31.4	Very low	34.2	Very low	138 Å²	138	106 Å²	106	54%	0.541	62%	0.619	S	S	.	*			trans	-164.8	163.6	-141.9	-137.1	-12.4	0	0	0	121.3	S108 R109	Y22-S108 WeakPolarHBondContact CD2-OG 3.34Å; Y22-S108 VanDerWaalsContact CE2-OG 3.23Å; Y22-S108 WeakPolarHBondContact CE2-OG 3.39Å; Y22-R109 HydrophobicContact CD2-CG 4.1Å; Y22-R109 VanDerWaalsContact CE2-CZ 3.46Å
23	T	33.8	Very low	34.1	Very low	105 Å²	105	103.5 Å²	103.5	64%	0.644	61%	0.614	S	S	*	*			trans	65.9	147.8	157.3	49	0	0	0	0	125
24	S	34	Very low	34.1	Very low	97 Å²	97	106 Å²	106	68%	0.678	62%	0.62	S	S	*	*			cis	-179.5	156.7	-25.6	54.5	0	0	0	0	116
25	Y	32.6	Very low	33.9	Very low	195 Å²	195	109.6 Å²	109.6	77%	0.765	63%	0.626	S	S	*	*			trans	100.2	135.6	152.5	-94.6	-60	0	0	0	126.1
26	F	29.6	Very low	34.1	Very low	169 Å²	169	106.6 Å²	106.6	74%	0.741	62%	0.618	S	S	*	*			trans	48.2	125.4	160.6	-69	-56.2	0	0	0	120.7
27	S	31.1	Very low	34.1	Very low	95 Å²	95	108.3 Å²	108.3	66%	0.664	62%	0.619	S	S	*	*				81.3	138.5	61.7	-78.7	0	0	0	0	114.7
28	D	32.2	Very low	33.6	Very low	142 Å²	142	117.5 Å²	117.5	76%	0.759	65%	0.647	S	S	*	*			cis	-163.7	-171.5	-2.2	-131	-67.2	0	0	0	113.1
29	V	27.5	Very low	33.8	Very low	141 Å²	141	122.6 Å²	122.6	86%	0.855	68%	0.681	S	S	*	*			trans	91.7	149	164.3	-167.7	0	0	0	0	119.1
30	S	29.5	Very low	33.9	Very low	99 Å²	99	124 Å²	124	69%	0.692	71%	0.705	S	S	*	*			trans	-105.9	-173.2	-170.4	-147.5	0	0	0	0	112.4
31	L	30.2	Very low	33.6	Very low	143 Å²	143	127.2 Å²	127.2	75%	0.749	73%	0.734	S	S	*	*			cis	-168.1	163.5	24.8	-148.6	143.9	0	0	0	111.4
32	S	28.4	Very low	33.9	Very low	101 Å²	101	128.8 Å²	128.8	71%	0.706	75%	0.754	S	S	*	*			trans	81	152.6	163.7	-29.1	0	0	0	0	118
33	S	28.8	Very low	34.9	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	75%	0.752	S	S	*	*			cis	-175.4	162.2	-25.1	53.3	0	0	0	0	111.8
34	V	32.4	Very low	36.1	Very low	143 Å²	143	130.9 Å²	130.9	87%	0.867	76%	0.76	S	S	*	*			trans	90	150.2	165.2	-170.4	0	0	0	0	118.4
35	L	31.9	Very low	37.5	Very low	161 Å²	161	129.1 Å²	129.1	84%	0.843	75%	0.747	S	S	*	*			trans	-101.3	177.8	-168.8	-75.1	162.1	0	0	0	112.4
36	P	41.3	Very low	39.2	Very low	119 Å²	119	127.2 Å²	127.2	77%	0.773	75%	0.745	S	S	*	*			cis	-138.3	-173.6	15.3	42	-21.4	0	0	0	118
37	S	39.6	Very low	41.2	Very low	103 Å²	103	119.2 Å²	119.2	72%	0.72	71%	0.71	S	S	*	*			trans	-62.1	159.6	177.4	62.9	0	0	0	0	115.1
38	R	32.2	Very low	42.8	Very low	233 Å²	233	118.1 Å²	118.1	88%	0.879	71%	0.713	S	S	*	*				-178.9	178.7	52.3	-137.2	178.4	174.8	-175.9	-1.3	107.2
39	P	41.6	Very low	44.6	Very low	120 Å²	120	115.1 Å²	115.1	78%	0.779	72%	0.716	S	S	*	*			cis	-122.1	-160	-14.7	43.4	-26.9	0	0	0	112.4
40	A	42.3	Very low	46.8	Very low	101 Å²	101	110.9 Å²	110.9	84%	0.835	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-83.5	144	-172.7	0	0	0	0	0	115.7
41	A	34.7	Very low	48.8	Very low	96 Å²	96	106.7 Å²	106.7	79%	0.793	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-95.9	162.2	160.7	0	0	0	0	0	111	S43	A41-S43 PolarHBondContact O-N 3.25Å
42	A	46.5	Very low	50.6	Low	100 Å²	100	111.6 Å²	111.6	83%	0.826	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-65.4	125.7	-174.1	0	0	0	0	0	112.9	R44	A42-R44 PolarHBondContact O-N 3.29Å
43	S	52.4	Low	52.6	Low	71 Å²	71	112.3 Å²	112.3	50%	0.497	66%	0.66	S	S	.	*			trans	-65.9	97.1	176.5	60	0	0	0	0	111	A41 R56 L61	A41-S43 PolarHBondContact O-N 3.25Å; S43-R56 PolarHBondContact OG-NH2 3.29Å; S43-L61 WeakPolarHBondContact OG-CD1 3.47Å
44	R	60	Low	54.9	Low	217 Å²	217	108.8 Å²	108.8	82%	0.819	64%	0.636	S	S	*	*			trans	-67.1	152.8	177.4	-161.5	173.6	-177	179	0.1	110.3	A42 E46	A42-R44 PolarHBondContact O-N 3.29Å; R44-E46 PolarHBondContact O-N 3.24Å
45	C	63.3	Low	57.1	Low	59 Å²	59	108 Å²	108	40%	0.399	62%	0.622	S	S	.	*			trans	-69.1	88.5	175.8	-94.4	0	0	0	0	111.7	C47 C54	C45-C47 PolarHBondContact O-N 3.34Å; C45-C54 VanDerWaalsContact CA-SG 3.55Å; C45-C54 WeakPolarHBondContact CB-SG 3.45Å; C45-C54 WeakPolarHBondContact SG-CB 3.45Å; C45-C54 CovalentContact SG-SG 2.04Å; C45-C54 PolarHBondContact SG-SG 3.33Å
46	E	67.4	Low	59.1	Low	155 Å²	155	108.7 Å²	108.7	72%	0.724	61%	0.614	S	S	*	*			trans	-83.4	89.5	173.2	-68.6	-174.6	161.8	0	0	110.1	R44 H74	R44-E46 PolarHBondContact O-N 3.24Å; E46-H74 PolarHBondContact O-ND1 2.91Å; E46-H74 VanDerWaalsContact O-ND1 3.17Å
47	C	71.3	Confident	60.6	Low	2 Å²	2	105.8 Å²	105.8	1%	0.014	59%	0.592	C	S	.	*	S	Bend	trans	-117	23.7	177.6	-53.2	0	0	0	0	112.8	C45 G49 R50 A51 C54 C63 H74	C45-C47 PolarHBondContact O-N 3.34Å; C47-G49 PolarHBondContact O-N 2.8Å; C47-R50 WeakPolarHBondContact O-CB 3.43Å; C47-R50 PolarHBondContact O-N 3.2Å; C47-A51 HydrophobicContact CB-CB 3.8Å; C47-C54 PolarHBondContact SG-SG 2.81Å; C47-C63 WeakPolarHBondContact CA-SG 3.19Å; C47-C63 HydrophobicContact CB-CB 3.87Å; C47-C63 WeakPolarHBondContact CB-SG 3.17Å; C47-C63 WeakPolarHBondContact SG-CB 3.17Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.28Å; C47-H74 CarbonylContact C-O 3.52Å; C47-H74 VanDerWaalsContact CA-O 3.28Å; C47-H74 WeakPolarHBondContact CA-O 3.47Å
48	G	66	Low	62.1	Low	71 Å²	71	105.8 Å²	105.8	73%	0.732	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.8	19.6	-176.4	0	0	0	0	0	115.7	R50	G48-R50 VanDerWaalsContact C-N 3.29Å; G48-R50 PolarHBondContact O-N 3.26Å
49	G	69.6	Low	63.6	Low	80 Å²	80	105.4 Å²	105.4	83%	0.825	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.1	4.5	-171.2	0	0	0	0	0	115.5	C47	C47-G49 PolarHBondContact O-N 2.8Å
50	R	72.9	Confident	65.1	Low	51 Å²	51	101.1 Å²	101.1	19%	0.192	57%	0.574	C	S	.	*	S	Bend	trans	-98.7	-11.9	-171	-60.5	177.3	-177.1	-129.8	-18	114.4	C47 G48 Q67 C75 R88 L89	C47-R50 WeakPolarHBondContact O-CB 3.43Å; C47-R50 PolarHBondContact O-N 3.2Å; G48-R50 VanDerWaalsContact C-N 3.29Å; G48-R50 PolarHBondContact O-N 3.26Å; R50-Q67 VanDerWaalsContact O-CB 3.28Å; R50-Q67 WeakPolarHBondContact O-CB 3.49Å; R50-Q67 WeakPolarHBondContact O-CG 3.24Å; R50-Q67 PolarHBondContact O-N 2.99Å; R50-C75 HydrophobicContact CB-CB 3.81Å; R50-R88 PolarHBondContact NH2-O 2.81Å; R50-L89 VanDerWaalsContact CZ-O 3.24Å; R50-L89 PolarHBondContact NH1-O 3.42Å; R50-L89 PolarHBondContact NH2-O 3.24Å
51	A	71.4	Confident	66.6	Low	12 Å²	12	98.2 Å²	98.2	10%	0.099	55%	0.545	C	S	.	.			trans	-134.6	152.5	166	0	0	0	0	0	109.4	C47 C63 L64	C47-A51 HydrophobicContact CB-CB 3.8Å; A51-C63 HydrophobicContact CB-CB 3.96Å; A51-L64 WeakPolarHBondContact CB-O 3.3Å
52	R	68.4	Low	68.8	Low	245 Å²	245	99.9 Å²	99.9	93%	0.925	53%	0.531	S	S	*	.	S	Bend	trans	-104.2	-8.5	177.6	-66	-176.7	178.6	177.1	-0	113.3
53	L	69.3	Low	70.5	Confident	116 Å²	116	95.4 Å²	95.4	61%	0.607	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.7	-172	-72.2	157.2	0	0	0	109.5	L64	L53-L64 PolarHBondContact O-N 2.99Å
54	C	77.4	Confident	71.7	Confident	30 Å²	30	94.8 Å²	94.8	20%	0.203	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.6	171.5	-40	0	0	0	0	110.2	C45 C47 L61 R62	C45-C54 VanDerWaalsContact CA-SG 3.55Å; C45-C54 WeakPolarHBondContact CB-SG 3.45Å; C45-C54 WeakPolarHBondContact SG-CB 3.45Å; C45-C54 CovalentContact SG-SG 2.04Å; C45-C54 PolarHBondContact SG-SG 3.33Å; C47-C54 PolarHBondContact SG-SG 2.81Å; C54-L61 HydrophobicContact CB-CD2 4.2Å; C54-R62 CarbonylContact C-O 3.59Å; C54-R62 WeakPolarHBondContact CA-O 3.46Å; C54-R62 WeakPolarHBondContact CB-O 3.49Å
55	Q	79.2	Confident	72.5	Confident	125 Å²	125	90.5 Å²	90.5	58%	0.584	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.1	168.1	-169	171.7	13.4	0	0	109.1	R62 L64	Q55-R62 PolarHBondContact N-O 2.96Å; Q55-R62 PolarHBondContact O-N 3.49Å; Q55-L64 HydrophobicContact CB-CD1 4.11Å; Q55-L64 HydrophobicContact CB-CD2 4.42Å; Q55-L64 HydrophobicContact CB-CG 4.33Å
56	R	73.3	Confident	73.2	Confident	176 Å²	176	88.7 Å²	88.7	66%	0.664	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	128	171.7	-173.2	171.5	-74.6	176.8	-4.5	109.4	S43 G60 L61	S43-R56 PolarHBondContact OG-NH2 3.29Å; R56-G60 WeakPolarHBondContact CA-O 3.46Å; R56-L61 HydrophobicContact CB-CD2 3.91Å
57	D	73.9	Confident	73.6	Confident	58 Å²	58	87.3 Å²	87.3	31%	0.31	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	179.7	173	74.4	64.5	0	0	0	110.5	W59 G60 R62 R73	D57-W59 PolarHBondContact O-N 3.12Å; D57-W59 PolarHBondContact OD1-N 3.26Å; D57-G60 PolarHBondContact N-O 2.86Å; D57-G60 PolarHBondContact O-N 3.49Å; D57-G60 VanDerWaalsContact O-N 3.07Å; D57-R62 WeakPolarHBondContact OD2-CB 3.43Å; D57-R73 IonicContact OD1-CZ 3.74Å; D57-R73 IonicContact OD1-NH2 3.89Å; D57-R73 PolarHBondContact OD1-NH2 3.3Å; D57-R73 IonicContact OD2-CZ 3.67Å; D57-R73 IonicContact OD2-NE 3.92Å; D57-R73 IonicContact OD2-NH2 2.81Å; D57-R73 PolarHBondContact OD2-NH2 2.96Å
58	A	71.3	Confident	73.7	Confident	103 Å²	103	89.6 Å²	89.6	85%	0.851	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.5	-175.9	0	0	0	0	0	114.9
59	W	63.8	Low	74.4	Confident	225 Å²	225	89.2 Å²	89.2	85%	0.852	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.6	-177.8	-55.1	82.2	0	0	0	113.1	D57 R73	D57-W59 PolarHBondContact O-N 3.12Å; D57-W59 PolarHBondContact OD1-N 3.26Å; W59-R73 PolarHBondContact O-NH1 2.88Å; W59-R73 PolarHBondContact O-NH2 3.02Å
60	G	73.1	Confident	74.7	Confident	30 Å²	30	85.4 Å²	85.4	31%	0.309	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.4	-154.7	-177.2	0	0	0	0	0	115.1	R56 D57 R73	R56-G60 WeakPolarHBondContact CA-O 3.46Å; D57-G60 PolarHBondContact N-O 2.86Å; D57-G60 PolarHBondContact O-N 3.49Å; D57-G60 VanDerWaalsContact O-N 3.07Å; G60-R73 VanDerWaalsContact C-NH2 3.27Å; G60-R73 PolarHBondContact O-NH2 3.15Å
61	L	72.9	Confident	74.7	Confident	41 Å²	41	85.4 Å²	85.4	22%	0.215	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	131.8	174.2	-75.8	170.2	0	0	0	110.9	S43 C54 R56 H74	S43-L61 WeakPolarHBondContact OG-CD1 3.47Å; C54-L61 HydrophobicContact CB-CD2 4.2Å; R56-L61 HydrophobicContact CB-CD2 3.91Å; L61-H74 PolarHBondContact O-CE1 3.13Å; L61-H74 VanDerWaalsContact O-CE1 3.22Å
62	R	81.6	Confident	74.7	Confident	131 Å²	131	86 Å²	86	49%	0.494	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.9	173.7	172.5	176.2	-179.6	-140.6	-0.4	110.1	C54 Q55 D57 R73	C54-R62 CarbonylContact C-O 3.59Å; C54-R62 WeakPolarHBondContact CA-O 3.46Å; C54-R62 WeakPolarHBondContact CB-O 3.49Å; Q55-R62 PolarHBondContact N-O 2.96Å; Q55-R62 PolarHBondContact O-N 3.49Å; D57-R62 WeakPolarHBondContact OD2-CB 3.43Å; R62-R73 WeakPolarHBondContact CA-O 3.39Å; R62-R73 HydrophobicContact CB-CG 3.96Å; R62-R73 HydrophobicContact CG-CG 4.03Å
63	C	81.9	Confident	75.3	Confident	5 Å²	5	77.6 Å²	77.6	3%	0.034	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	142.4	175.5	-60.9	0	0	0	0	111.6	C47 A51 R73	C47-C63 WeakPolarHBondContact CA-SG 3.19Å; C47-C63 HydrophobicContact CB-CB 3.87Å; C47-C63 WeakPolarHBondContact CB-SG 3.17Å; C47-C63 WeakPolarHBondContact SG-CB 3.17Å; C47-C63 CovalentContact SG-SG 2.03Å; C47-C63 PolarHBondContact SG-SG 3.28Å; A51-C63 HydrophobicContact CB-CB 3.96Å; C63-R73 PolarHBondContact N-O 2.84Å
64	L	78.4	Confident	75.7	Confident	58 Å²	58	75.6 Å²	75.6	30%	0.304	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	150.2	177.1	-60.7	-176.9	0	0	0	110.7	A51 L53 Q55 C66	A51-L64 WeakPolarHBondContact CB-O 3.3Å; L53-L64 PolarHBondContact O-N 2.99Å; Q55-L64 HydrophobicContact CB-CD1 4.11Å; Q55-L64 HydrophobicContact CB-CD2 4.42Å; Q55-L64 HydrophobicContact CB-CG 4.33Å; L64-C66 PolarHBondContact O-N 3.41Å
65	D	75.6	Confident	75.7	Confident	127 Å²	127	74.3 Å²	74.3	68%	0.679	38%	0.381	S	S	*	.	S	Bend	trans	51.1	52.5	175.5	-55.2	-30.5	0	0	0	114.6	Q67	D65-Q67 PolarHBondContact O-N 2.79Å; D65-Q67 VanDerWaalsContact O-N 3.11Å; D65-Q67 PolarHBondContact O-NE2 2.62Å
66	C	77.8	Confident	75.5	Confident	21 Å²	21	73.1 Å²	73.1	14%	0.142	38%	0.375	C	S	.	.			trans	-53.2	112.7	175.3	-65.6	0	0	0	0	112.5	L64 T70 C75	L64-C66 PolarHBondContact O-N 3.41Å; C66-T70 WeakPolarHBondContact CB-O 3.48Å; C66-C75 WeakPolarHBondContact CA-SG 3.27Å; C66-C75 HydrophobicContact CB-CB 3.68Å; C66-C75 WeakPolarHBondContact CB-SG 3.35Å; C66-C75 WeakPolarHBondContact SG-CA 3.42Å; C66-C75 WeakPolarHBondContact SG-CB 3.22Å; C66-C75 CovalentContact SG-SG 2.04Å; C66-C75 PolarHBondContact SG-SG 3.19Å
67	Q	76.6	Confident	75.6	Confident	126 Å²	126	71.5 Å²	71.5	59%	0.589	37%	0.369	S	S	*	.			trans	-82.7	169	-178.8	-58.8	-59.5	-51.9	0	0	112.1	R50 D65 N69 T70	R50-Q67 VanDerWaalsContact O-CB 3.28Å; R50-Q67 WeakPolarHBondContact O-CB 3.49Å; R50-Q67 WeakPolarHBondContact O-CG 3.24Å; R50-Q67 PolarHBondContact O-N 2.99Å; D65-Q67 PolarHBondContact O-N 2.79Å; D65-Q67 VanDerWaalsContact O-N 3.11Å; D65-Q67 PolarHBondContact O-NE2 2.62Å; Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.09Å; Q67-T70 PolarHBondContact O-N 2.94Å; Q67-T70 PolarHBondContact O-OG1 3.15Å
68	G	72.6	Confident	75.9	Confident	51 Å²	51	69.1 Å²	69.1	53%	0.526	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	37.6	174.6	0	0	0	0	0	113.5	T70 C91	G68-T70 VanDerWaalsContact C-N 3.29Å; G68-T70 PolarHBondContact O-N 2.87Å; G68-C91 WeakPolarHBondContact O-CB 3.48Å
69	N	80.4	Confident	76.2	Confident	63 Å²	63	68.2 Å²	68.2	34%	0.337	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	36.9	178.9	-56.8	-34.3	0	0	0	114.8	Q67 C78 K79 F82 C91	Q67-N69 VanDerWaalsContact C-N 3.3Å; Q67-N69 PolarHBondContact O-N 3.09Å; N69-C78 WeakPolarHBondContact O-CA 3.21Å; N69-K79 WeakPolarHBondContact O-CB 3.49Å; N69-K79 PolarHBondContact O-N 3.08Å; N69-F82 HydrophobicContact CB-CB 4.22Å; N69-F82 HydrophobicContact CB-CD1 3.95Å; N69-F82 HydrophobicContact CB-CD2 3.56Å; N69-F82 HydrophobicContact CB-CE1 4.28Å; N69-F82 HydrophobicContact CB-CE2 3.9Å; N69-F82 HydrophobicContact CB-CG 3.63Å; N69-F82 HydrophobicContact CB-CZ 4.27Å; N69-F82 WeakPolarHBondContact ND2-CD1 3.38Å; N69-F82 WeakPolarHBondContact ND2-CE1 3.38Å; N69-F82 WeakPolarHBondContact ND2-CZ 3.39Å; N69-C91 HydrophobicContact CB-CB 3.92Å
70	T	77.5	Confident	76.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	159.2	169.8	48.3	0	0	0	0	113.7	C66 Q67 G68 C75 R77 K79 C91	C66-T70 WeakPolarHBondContact CB-O 3.48Å; Q67-T70 PolarHBondContact O-N 2.94Å; Q67-T70 PolarHBondContact O-OG1 3.15Å; G68-T70 VanDerWaalsContact C-N 3.29Å; G68-T70 PolarHBondContact O-N 2.87Å; T70-C75 WeakPolarHBondContact CB-O 3.47Å; T70-C75 WeakPolarHBondContact CG2-O 3.47Å; T70-R77 CarbonylContact C-O 3.56Å; T70-R77 VanDerWaalsContact CA-O 3.24Å; T70-R77 WeakPolarHBondContact CA-O 3.32Å; T70-R77 VanDerWaalsContact CB-O 3.26Å; T70-R77 WeakPolarHBondContact CB-O 3.03Å; T70-R77 WeakPolarHBondContact CG2-O 3.5Å; T70-K79 VanDerWaalsContact O-CE 3.22Å; T70-K79 WeakPolarHBondContact O-CE 3.26Å; T70-C91 VanDerWaalsContact CG2-SG 3.55Å
71	E	71.4	Confident	76.7	Confident	51 Å²	51	60.8 Å²	60.8	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-162.4	171.5	66.5	170.8	-121.3	0	0	109.4	C75 E76 R77 K79 D80	E71-C75 CarbonylContact O-C 3.58Å; E71-C75 VanDerWaalsContact O-C 3.29Å; E71-C75 VanDerWaalsContact O-CA 3.26Å; E71-C75 WeakPolarHBondContact O-CA 3.48Å; E71-E76 PolarHBondContact O-N 3.09Å; E71-R77 HydrophobicContact CG-CG 3.79Å; E71-R77 PolarHBondContact N-O 3.19Å; E71-R77 PolarHBondContact O-N 2.74Å; E71-R77 VanDerWaalsContact O-O 3.1Å; E71-R77 IonicContact OE1-CZ 3.66Å; E71-R77 IonicContact OE1-NE 3.9Å; E71-R77 PolarHBondContact OE1-NE 3.32Å; E71-R77 IonicContact OE1-NH2 2.74Å; E71-R77 PolarHBondContact OE1-NH2 3.1Å; E71-K79 HydrophobicContact CB-CG 3.83Å; E71-K79 HydrophobicContact CG-CG 4.08Å; E71-K79 WeakPolarHBondContact OE2-CA 3.16Å; E71-D80 PolarHBondContact OE2-N 3.21Å
72	G	73.1	Confident	77.1	Confident	25 Å²	25	61.1 Å²	61.1	26%	0.258	31%	0.307	S	S	.	.	S	Bend	trans	90.6	-169.9	-167.3	0	0	0	0	0	110.2	E76	G72-E76 VanDerWaalsContact C-OE2 3.29Å; G72-E76 VanDerWaalsContact CA-OE1 3.27Å; G72-E76 WeakPolarHBondContact CA-OE1 3.47Å; G72-E76 WeakPolarHBondContact CA-OE2 3.4Å
73	R	79.3	Confident	77	Confident	67 Å²	67	56.2 Å²	56.2	25%	0.253	29%	0.288	S	S	.	.	S	Bend	trans	-88.6	-24.5	-172.6	-164.5	160.5	-175.2	-116.6	-10.5	113.6	D57 W59 G60 R62 C63 E76	D57-R73 IonicContact OD1-CZ 3.74Å; D57-R73 IonicContact OD1-NH2 3.89Å; D57-R73 PolarHBondContact OD1-NH2 3.3Å; D57-R73 IonicContact OD2-CZ 3.67Å; D57-R73 IonicContact OD2-NE 3.92Å; D57-R73 IonicContact OD2-NH2 2.81Å; D57-R73 PolarHBondContact OD2-NH2 2.96Å; W59-R73 PolarHBondContact O-NH1 2.88Å; W59-R73 PolarHBondContact O-NH2 3.02Å; G60-R73 VanDerWaalsContact C-NH2 3.27Å; G60-R73 PolarHBondContact O-NH2 3.15Å; R62-R73 WeakPolarHBondContact CA-O 3.39Å; R62-R73 HydrophobicContact CB-CG 3.96Å; R62-R73 HydrophobicContact CG-CG 4.03Å; C63-R73 PolarHBondContact N-O 2.84Å; R73-E76 VanDerWaalsContact N-CD 3.35Å; R73-E76 PolarHBondContact N-OE1 2.76Å; R73-E76 PolarHBondContact N-OE2 2.98Å
74	H	78.6	Confident	76.9	Confident	75 Å²	75	58.1 Å²	58.1	35%	0.347	30%	0.297	S	S	.	.	S	Bend	trans	-120.7	14.4	-179.8	-61.9	-80.7	0	0	0	112.2	E46 C47 L61 E76	E46-H74 PolarHBondContact O-ND1 2.91Å; E46-H74 VanDerWaalsContact O-ND1 3.17Å; C47-H74 CarbonylContact C-O 3.52Å; C47-H74 VanDerWaalsContact CA-O 3.28Å; C47-H74 WeakPolarHBondContact CA-O 3.47Å; L61-H74 PolarHBondContact O-CE1 3.13Å; L61-H74 VanDerWaalsContact O-CE1 3.22Å; H74-E76 VanDerWaalsContact CA-OE2 3.31Å; H74-E76 WeakPolarHBondContact CA-OE2 3.44Å; H74-E76 PolarHBondContact N-OE2 2.9Å; H74-E76 PolarHBondContact O-N 3.19Å
75	C	77.6	Confident	76.3	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	30%	0.303	C	S	.	.	S	Bend	trans	61	31.6	-171.6	-46.4	0	0	0	0	112.9	R50 C66 T70 E71	R50-C75 HydrophobicContact CB-CB 3.81Å; C66-C75 WeakPolarHBondContact CA-SG 3.27Å; C66-C75 HydrophobicContact CB-CB 3.68Å; C66-C75 WeakPolarHBondContact CB-SG 3.35Å; C66-C75 WeakPolarHBondContact SG-CA 3.42Å; C66-C75 WeakPolarHBondContact SG-CB 3.22Å; C66-C75 CovalentContact SG-SG 2.04Å; C66-C75 PolarHBondContact SG-SG 3.19Å; T70-C75 WeakPolarHBondContact CB-O 3.47Å; T70-C75 WeakPolarHBondContact CG2-O 3.47Å; E71-C75 CarbonylContact O-C 3.58Å; E71-C75 VanDerWaalsContact O-C 3.29Å; E71-C75 VanDerWaalsContact O-CA 3.26Å; E71-C75 WeakPolarHBondContact O-CA 3.48Å
76	E	74.6	Confident	75.4	Confident	100 Å²	100	56.6 Å²	56.6	47%	0.467	30%	0.3	S	S	.	.			trans	-79.6	-27.9	-168.3	69.1	-79.9	-169.6	0	0	114.4	E71 G72 R73 H74 Q84	E71-E76 PolarHBondContact O-N 3.09Å; G72-E76 VanDerWaalsContact C-OE2 3.29Å; G72-E76 VanDerWaalsContact CA-OE1 3.27Å; G72-E76 WeakPolarHBondContact CA-OE1 3.47Å; G72-E76 WeakPolarHBondContact CA-OE2 3.4Å; R73-E76 VanDerWaalsContact N-CD 3.35Å; R73-E76 PolarHBondContact N-OE1 2.76Å; R73-E76 PolarHBondContact N-OE2 2.98Å; H74-E76 VanDerWaalsContact CA-OE2 3.31Å; H74-E76 WeakPolarHBondContact CA-OE2 3.44Å; H74-E76 PolarHBondContact N-OE2 2.9Å; H74-E76 PolarHBondContact O-N 3.19Å; E76-Q84 PolarHBondContact O-NE2 2.88Å
77	R	75.5	Confident	74.1	Confident	142 Å²	142	61 Å²	61	54%	0.536	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.9	-179.1	71.9	-175.8	-165.1	-167.6	9	110.5	T70 E71	T70-R77 CarbonylContact C-O 3.56Å; T70-R77 VanDerWaalsContact CA-O 3.24Å; T70-R77 WeakPolarHBondContact CA-O 3.32Å; T70-R77 VanDerWaalsContact CB-O 3.26Å; T70-R77 WeakPolarHBondContact CB-O 3.03Å; T70-R77 WeakPolarHBondContact CG2-O 3.5Å; E71-R77 HydrophobicContact CG-CG 3.79Å; E71-R77 PolarHBondContact N-O 3.19Å; E71-R77 PolarHBondContact O-N 2.74Å; E71-R77 VanDerWaalsContact O-O 3.1Å; E71-R77 IonicContact OE1-CZ 3.66Å; E71-R77 IonicContact OE1-NE 3.9Å; E71-R77 PolarHBondContact OE1-NE 3.32Å; E71-R77 IonicContact OE1-NH2 2.74Å; E71-R77 PolarHBondContact OE1-NH2 3.1Å
78	C	79.8	Confident	73	Confident	9 Å²	9	65.7 Å²	65.7	6%	0.061	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	152.9	168.9	-63.8	0	0	0	0	111	N69 F82 Q84 C91	N69-C78 WeakPolarHBondContact O-CA 3.21Å; C78-F82 HydrophobicContact CB-CB 4.4Å; C78-F82 WeakPolarHBondContact CB-O 3.44Å; C78-Q84 WeakPolarHBondContact SG-CG 3.32Å; C78-C91 WeakPolarHBondContact CA-SG 3.38Å; C78-C91 HydrophobicContact CB-CB 3.8Å; C78-C91 WeakPolarHBondContact CB-SG 3.48Å; C78-C91 VanDerWaalsContact SG-CA 3.53Å; C78-C91 WeakPolarHBondContact SG-CB 3.45Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.48Å
79	K	78.3	Confident	72.6	Confident	84 Å²	84	67.7 Å²	67.7	37%	0.365	35%	0.349	S	S	.	.			trans	-56.7	159.9	170.8	-83.5	-179.8	-179.4	179.2	0	111.2	Q19 N69 T70 E71 G81 F82	Q19-K79 PolarHBondContact N-O 3.17Å; N69-K79 WeakPolarHBondContact O-CB 3.49Å; N69-K79 PolarHBondContact O-N 3.08Å; T70-K79 VanDerWaalsContact O-CE 3.22Å; T70-K79 WeakPolarHBondContact O-CE 3.26Å; E71-K79 HydrophobicContact CB-CG 3.83Å; E71-K79 HydrophobicContact CG-CG 4.08Å; E71-K79 WeakPolarHBondContact OE2-CA 3.16Å; K79-G81 PolarHBondContact O-N 2.9Å; K79-F82 HydrophobicContact CB-CD2 4.2Å; K79-F82 PolarHBondContact O-N 3.08Å
80	D	76	Confident	72	Confident	87 Å²	87	67.4 Å²	67.4	47%	0.465	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	85.7	154.3	-81.5	-18.4	0	0	0	111	S17 V18 Q19 E71	S17-D80 CarbonylContact C-O 3.48Å; S17-D80 VanDerWaalsContact C-O 3.3Å; S17-D80 VanDerWaalsContact CA-O 3.24Å; S17-D80 WeakPolarHBondContact CA-O 3.23Å; V18-D80 WeakPolarHBondContact CA-OD1 3.48Å; V18-D80 HydrophobicContact CG1-CB 4.48Å; V18-D80 VanDerWaalsContact CG1-OD1 3.23Å; V18-D80 WeakPolarHBondContact CG1-OD1 3.49Å; Q19-D80 PolarHBondContact N-OD1 3.38Å; Q19-D80 VanDerWaalsContact N-OD1 3.09Å; E71-D80 PolarHBondContact OE2-N 3.21Å
81	G	72.3	Confident	72.1	Confident	12 Å²	12	68 Å²	68	12%	0.124	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	176.1	-17	168.2	0	0	0	0	0	113.7	V18 K79 P93 C94	V18-G81 VanDerWaalsContact CA-N 3.28Å; V18-G81 CarbonylContact O-C 3.55Å; V18-G81 WeakPolarHBondContact O-CA 3.45Å; V18-G81 PolarHBondContact O-N 3.08Å; V18-G81 VanDerWaalsContact O-N 3.12Å; K79-G81 PolarHBondContact O-N 2.9Å; G81-P93 WeakPolarHBondContact O-CA 3.47Å; G81-C94 PolarHBondContact O-N 2.88Å
82	F	79.4	Confident	72.5	Confident	48 Å²	48	67.7 Å²	67.7	21%	0.211	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	138.4	-155.7	-53.3	-97.3	0	0	0	113.5	V18 Q19 N69 C78 K79 C91 T92 P93	V18-F82 PolarHBondContact O-N 3.15Å; Q19-F82 CarbonylContact C-O 3.06Å; Q19-F82 CarbonylContact O-C 3.57Å; N69-F82 HydrophobicContact CB-CB 4.22Å; N69-F82 HydrophobicContact CB-CD1 3.95Å; N69-F82 HydrophobicContact CB-CD2 3.56Å; N69-F82 HydrophobicContact CB-CE1 4.28Å; N69-F82 HydrophobicContact CB-CE2 3.9Å; N69-F82 HydrophobicContact CB-CG 3.63Å; N69-F82 HydrophobicContact CB-CZ 4.27Å; N69-F82 WeakPolarHBondContact ND2-CD1 3.38Å; N69-F82 WeakPolarHBondContact ND2-CE1 3.38Å; N69-F82 WeakPolarHBondContact ND2-CZ 3.39Å; C78-F82 HydrophobicContact CB-CB 4.4Å; C78-F82 WeakPolarHBondContact CB-O 3.44Å; K79-F82 HydrophobicContact CB-CD2 4.2Å; K79-F82 PolarHBondContact O-N 3.08Å; F82-C91 HydrophobicContact CB-CB 3.68Å; F82-C91 HydrophobicContact CG-CB 4.48Å; F82-T92 CarbonylContact C-O 3.51Å; F82-T92 WeakPolarHBondContact CA-O 3.33Å; F82-P93 VanDerWaalsContact CD1-CA 3.47Å; F82-P93 HydrophobicContact CD1-CB 3.81Å; F82-P93 HydrophobicContact CD1-CG 4.36Å; F82-P93 HydrophobicContact CE1-CB 3.79Å; F82-P93 HydrophobicContact CE1-CG 4.29Å
83	Y	81.2	Confident	72.7	Confident	27 Å²	27	69.3 Å²	69.3	11%	0.106	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	144.7	177.7	74.1	-74.1	0	0	0	112.5	Q19 T20 Q85 C91 T92 P93	Q19-Y83 WeakPolarHBondContact O-CA 3.48Å; Q19-Y83 VanDerWaalsContact O-CB 3.25Å; Q19-Y83 WeakPolarHBondContact O-CB 3.48Å; Q19-Y83 PolarHBondContact O-N 3.1Å; Q19-Y83 VanDerWaalsContact O-N 3.09Å; T20-Y83 CarbonylContact O-C 3.5Å; T20-Y83 WeakPolarHBondContact O-CA 3.32Å; T20-Y83 WeakPolarHBondContact OG1-CB 3.46Å; Y83-Q85 HydrophobicContact CD2-CB 4.42Å; Y83-Q85 HydrophobicContact CE2-CB 4.07Å; Y83-Q85 HydrophobicContact CE2-CG 3.95Å; Y83-Q85 PolarHBondContact O-N 2.7Å; Y83-Q85 PolarHBondContact OH-NE2 3.16Å; Y83-C91 CarbonylContact O-C 3.59Å; Y83-C91 WeakPolarHBondContact O-CA 3.35Å; Y83-T92 WeakPolarHBondContact CD1-O 3.39Å; Y83-T92 HydrophobicContact CE1-CG2 4Å; Y83-T92 PolarHBondContact N-O 2.96Å; Y83-T92 PolarHBondContact O-N 2.64Å; Y83-P93 WeakPolarHBondContact CE1-O 3.46Å
84	Q	78.4	Confident	72.8	Confident	45 Å²	45	66.2 Å²	66.2	21%	0.21	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	106.7	176.5	-65.6	-175.4	-11.2	0	0	110	T20 T21 E76 C78 S90	T20-Q84 PolarHBondContact O-N 2.83Å; T21-Q84 WeakPolarHBondContact CB-O 3.44Å; T21-Q84 PolarHBondContact OG1-O 3.3Å; E76-Q84 PolarHBondContact O-NE2 2.88Å; C78-Q84 WeakPolarHBondContact SG-CG 3.32Å; Q84-S90 CarbonylContact C-O 3.59Å; Q84-S90 WeakPolarHBondContact CA-O 3.45Å
85	Q	65.6	Low	73.1	Confident	92 Å²	92	66.3 Å²	66.3	43%	0.43	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.7	179.9	-157.6	179.5	18.1	0	0	111.1	Y83 S90 T92	Y83-Q85 HydrophobicContact CD2-CB 4.42Å; Y83-Q85 HydrophobicContact CE2-CB 4.07Å; Y83-Q85 HydrophobicContact CE2-CG 3.95Å; Y83-Q85 PolarHBondContact O-N 2.7Å; Y83-Q85 PolarHBondContact OH-NE2 3.16Å; Q85-S90 PolarHBondContact N-O 2.85Å; Q85-S90 PolarHBondContact O-OG 3.3Å; Q85-S90 VanDerWaalsContact O-OG 3.06Å; Q85-T92 PolarHBondContact OE1-OG1 3.45Å; Q85-T92 VanDerWaalsContact OE1-OG1 3.05Å
86	G	57.6	Low	73.4	Confident	61 Å²	61	66.7 Å²	66.7	63%	0.629	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	168.2	174.1	0	0	0	0	0	115.7	R88 L89	G86-R88 PolarHBondContact O-N 3.22Å; G86-L89 PolarHBondContact O-N 3.48Å
87	A	49.7	Very low	73.6	Confident	114 Å²	114	63.8 Å²	63.8	94%	0.942	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-1	-171.4	0	0	0	0	0	116
88	R	54.7	Low	73.7	Confident	225 Å²	225	62.2 Å²	62.2	85%	0.849	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	6	171.4	-68.4	-175	175.9	178.4	-0.4	113.2	R50 G86 S90	R50-R88 PolarHBondContact NH2-O 2.81Å; G86-R88 PolarHBondContact O-N 3.22Å; R88-S90 PolarHBondContact O-N 3.43Å; R88-S90 VanDerWaalsContact O-N 3.15Å
89	L	63	Low	73.3	Confident	92 Å²	92	64.1 Å²	64.1	48%	0.482	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	26.4	177.3	-70	158.1	0	0	0	113.2	R50 G86	R50-L89 VanDerWaalsContact CZ-O 3.24Å; R50-L89 PolarHBondContact NH1-O 3.42Å; R50-L89 PolarHBondContact NH2-O 3.24Å; G86-L89 PolarHBondContact O-N 3.48Å
90	S	68.1	Low	73.1	Confident	57 Å²	57	60.1 Å²	60.1	40%	0.399	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	135.7	-177	30.7	0	0	0	0	111.9	Q84 Q85 R88 T92	Q84-S90 CarbonylContact C-O 3.59Å; Q84-S90 WeakPolarHBondContact CA-O 3.45Å; Q85-S90 PolarHBondContact N-O 2.85Å; Q85-S90 PolarHBondContact O-OG 3.3Å; Q85-S90 VanDerWaalsContact O-OG 3.06Å; R88-S90 PolarHBondContact O-N 3.43Å; R88-S90 VanDerWaalsContact O-N 3.15Å; S90-T92 PolarHBondContact O-N 3.28Å
91	C	80.4	Confident	73.4	Confident	14 Å²	14	56 Å²	56	10%	0.095	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	99.5	-178.4	-61.7	0	0	0	0	111.6	G68 N69 T70 C78 F82 Y83	G68-C91 WeakPolarHBondContact O-CB 3.48Å; N69-C91 HydrophobicContact CB-CB 3.92Å; T70-C91 VanDerWaalsContact CG2-SG 3.55Å; C78-C91 WeakPolarHBondContact CA-SG 3.38Å; C78-C91 HydrophobicContact CB-CB 3.8Å; C78-C91 WeakPolarHBondContact CB-SG 3.48Å; C78-C91 VanDerWaalsContact SG-CA 3.53Å; C78-C91 WeakPolarHBondContact SG-CB 3.45Å; C78-C91 CovalentContact SG-SG 2.03Å; C78-C91 PolarHBondContact SG-SG 3.48Å; F82-C91 HydrophobicContact CB-CB 3.68Å; F82-C91 HydrophobicContact CG-CB 4.48Å; Y83-C91 CarbonylContact O-C 3.59Å; Y83-C91 WeakPolarHBondContact O-CA 3.35Å
92	T	80.3	Confident	73.8	Confident	44 Å²	44	60.1 Å²	60.1	27%	0.27	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138	178.6	-58	0	0	0	0	110.5	F82 Y83 Q85 S90	F82-T92 CarbonylContact C-O 3.51Å; F82-T92 WeakPolarHBondContact CA-O 3.33Å; Y83-T92 WeakPolarHBondContact CD1-O 3.39Å; Y83-T92 HydrophobicContact CE1-CG2 4Å; Y83-T92 PolarHBondContact N-O 2.96Å; Y83-T92 PolarHBondContact O-N 2.64Å; Q85-T92 PolarHBondContact OE1-OG1 3.45Å; Q85-T92 VanDerWaalsContact OE1-OG1 3.05Å; S90-T92 PolarHBondContact O-N 3.28Å
93	P	77.8	Confident	73.7	Confident	59 Å²	59	60.1 Å²	60.1	38%	0.383	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	146.3	-176.5	21.9	-32.7	0	0	0	113.7	G81 F82 Y83 S95	G81-P93 WeakPolarHBondContact O-CA 3.47Å; F82-P93 VanDerWaalsContact CD1-CA 3.47Å; F82-P93 HydrophobicContact CD1-CB 3.81Å; F82-P93 HydrophobicContact CD1-CG 4.36Å; F82-P93 HydrophobicContact CE1-CB 3.79Å; F82-P93 HydrophobicContact CE1-CG 4.29Å; Y83-P93 WeakPolarHBondContact CE1-O 3.46Å; P93-S95 VanDerWaalsContact C-N 3.3Å; P93-S95 PolarHBondContact O-N 3.15Å
94	C	81.1	Confident	73.4	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.007	38%	0.38	C	S	.	.			trans	-56.9	-42.8	175.4	-83.5	0	0	0	0	112.1	V18 G81 C96 C106 K122	V18-C94 PolarHBondContact O-SG 3.34Å; G81-C94 PolarHBondContact O-N 2.88Å; C94-C96 VanDerWaalsContact C-N 3.35Å; C94-C96 PolarHBondContact O-N 3.44Å; C94-C106 VanDerWaalsContact CA-SG 3.52Å; C94-C106 HydrophobicContact CB-CB 3.76Å; C94-C106 WeakPolarHBondContact CB-SG 3.36Å; C94-C106 WeakPolarHBondContact SG-CB 3.46Å; C94-C106 PolarHBondContact SG-N 3.37Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 2.99Å; C94-K122 WeakPolarHBondContact O-CD 3.24Å; C94-K122 WeakPolarHBondContact O-CE 3.45Å; C94-K122 PolarHBondContact O-NZ 3.42Å
95	S	83.7	Confident	73.4	Confident	78 Å²	78	62.2 Å²	62.2	55%	0.545	38%	0.381	S	S	.	.			trans	52.4	45.9	179.9	-57.8	0	0	0	0	113.9	P93	P93-S95 VanDerWaalsContact C-N 3.3Å; P93-S95 PolarHBondContact O-N 3.15Å
96	C	84.7	Confident	74.1	Confident	10 Å²	10	57.8 Å²	57.8	7%	0.068	36%	0.36	C	S	.	.			trans	-71.3	139.1	173.5	-54.8	0	0	0	0	110.6	C94 P98 S101 N104 T105 C112	C94-C96 VanDerWaalsContact C-N 3.35Å; C94-C96 PolarHBondContact O-N 3.44Å; C96-P98 VanDerWaalsContact O-CD 3.31Å; C96-P98 WeakPolarHBondContact O-CD 3.41Å; C96-S101 WeakPolarHBondContact CB-OG 3.46Å; C96-N104 WeakPolarHBondContact CB-OD1 3.48Å; C96-N104 PolarHBondContact N-OD1 3.26Å; C96-T105 PolarHBondContact SG-O 3.13Å; C96-T105 VanDerWaalsContact SG-O 3.34Å; C96-C112 WeakPolarHBondContact CA-SG 3.49Å; C96-C112 HydrophobicContact CB-CB 3.68Å; C96-C112 WeakPolarHBondContact CB-SG 3.48Å; C96-C112 WeakPolarHBondContact SG-CB 3.46Å; C96-C112 CovalentContact SG-SG 2.03Å; C96-C112 PolarHBondContact SG-SG 2.97Å
97	N	78	Confident	75.1	Confident	39 Å²	39	57.4 Å²	57.4	21%	0.209	34%	0.344	C	S	.	.			trans	-70.6	113.5	173.8	179.5	-26.2	0	0	0	109.3	A99 G100 S101 K122 C123 D124	N97-A99 VanDerWaalsContact C-N 3.26Å; N97-A99 PolarHBondContact O-N 3.3Å; N97-A99 WeakPolarHBondContact OD1-CB 3.33Å; N97-A99 PolarHBondContact OD1-N 2.9Å; N97-A99 VanDerWaalsContact OD1-N 3.08Å; N97-G100 PolarHBondContact O-N 2.97Å; N97-S101 PolarHBondContact O-N 2.99Å; N97-S101 PolarHBondContact O-OG 3.35Å; N97-S101 VanDerWaalsContact O-OG 3.11Å; N97-K122 WeakPolarHBondContact CB-O 3.37Å; N97-K122 PolarHBondContact N-O 3.27Å; N97-C123 WeakPolarHBondContact CB-O 3.4Å; N97-D124 HydrophobicContact CB-CB 4.14Å
98	P	77.4	Confident	76.1	Confident	108 Å²	108	52.9 Å²	52.9	70%	0.701	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.3	-171	28.2	-35.9	0	0	0	113.6	C96 K115	C96-P98 VanDerWaalsContact O-CD 3.31Å; C96-P98 WeakPolarHBondContact O-CD 3.41Å; P98-K115 PolarHBondContact O-NZ 3.29Å
99	A	71.6	Confident	77.1	Confident	49 Å²	49	49.4 Å²	49.4	41%	0.405	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-43.2	172.6	0	0	0	0	0	110.5	N97 K115 M131	N97-A99 VanDerWaalsContact C-N 3.26Å; N97-A99 PolarHBondContact O-N 3.3Å; N97-A99 WeakPolarHBondContact OD1-CB 3.33Å; N97-A99 PolarHBondContact OD1-N 2.9Å; N97-A99 VanDerWaalsContact OD1-N 3.08Å; A99-K115 VanDerWaalsContact O-CD 3.3Å; A99-K115 WeakPolarHBondContact O-CD 3.43Å; A99-K115 PolarHBondContact O-NZ 2.92Å; A99-M131 HydrophobicContact CB-SD 3.82Å
100	G	73.7	Confident	77.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-23.9	-173	0	0	0	0	0	117.3	N97 K115 C123	N97-G100 PolarHBondContact O-N 2.97Å; G100-K115 WeakPolarHBondContact O-CB 3.38Å; G100-K115 PolarHBondContact O-N 3.43Å; G100-C123 WeakPolarHBondContact CA-O 3.5Å
101	S	82.3	Confident	78.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	149.6	178.3	71.2	0	0	0	0	112.5	C96 N97 S103 S113 K115	C96-S101 WeakPolarHBondContact CB-OG 3.46Å; N97-S101 PolarHBondContact O-N 2.99Å; N97-S101 PolarHBondContact O-OG 3.35Å; N97-S101 VanDerWaalsContact O-OG 3.11Å; S101-S103 VanDerWaalsContact CB-O 3.23Å; S101-S103 WeakPolarHBondContact CB-O 3.38Å; S101-S103 PolarHBondContact O-N 2.71Å; S101-S103 PolarHBondContact OG-O 3.32Å; S101-S113 CarbonylContact C-O 3.43Å; S101-S113 VanDerWaalsContact CA-O 3.29Å; S101-S113 WeakPolarHBondContact CA-O 3.44Å; S101-S113 WeakPolarHBondContact CB-O 3.43Å; S101-K115 WeakPolarHBondContact O-CE 3.4Å; S101-K115 PolarHBondContact O-NZ 3.24Å
102	V	80.8	Confident	78.6	Confident	98 Å²	98	48 Å²	48	59%	0.594	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	-28.8	176.8	-179.9	0	0	0	0	111.1	S113 C114 K115	V102-S113 PolarHBondContact N-O 3.29Å; V102-C114 WeakPolarHBondContact CG2-O 3.33Å; V102-K115 HydrophobicContact CG2-CG 4Å
103	S	77.2	Confident	78.9	Confident	47 Å²	47	48.8 Å²	48.8	33%	0.329	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	175.8	176.7	57.1	0	0	0	0	108.9	S101 T105	S101-S103 VanDerWaalsContact CB-O 3.23Å; S101-S103 WeakPolarHBondContact CB-O 3.38Å; S101-S103 PolarHBondContact O-N 2.71Å; S101-S103 PolarHBondContact OG-O 3.32Å; S103-T105 PolarHBondContact O-N 3.01Å; S103-T105 VanDerWaalsContact O-N 3.1Å; S103-T105 WeakPolarHBondContact OG-CB 3.49Å; S103-T105 WeakPolarHBondContact OG-CG2 3.38Å; S103-T105 PolarHBondContact OG-N 3.13Å; S103-T105 PolarHBondContact OG-OG1 3.37Å
104	N	74.9	Confident	79.2	Confident	79 Å²	79	48.1 Å²	48.1	42%	0.422	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	19	170.7	-152.2	15.1	0	0	0	112.6	V18 C96	V18-N104 WeakPolarHBondContact CG2-O 3.27Å; C96-N104 WeakPolarHBondContact CB-OD1 3.48Å; C96-N104 PolarHBondContact N-OD1 3.26Å
105	T	79	Confident	78.8	Confident	37 Å²	37	52.1 Å²	52.1	23%	0.227	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136	177.4	75.2	0	0	0	0	111.2	V18 C96 S103 C112 S113	V18-T105 HydrophobicContact CB-CG2 4.14Å; V18-T105 HydrophobicContact CG1-CG2 4.02Å; V18-T105 VanDerWaalsContact CG2-CA 3.41Å; V18-T105 HydrophobicContact CG2-CG2 3.43Å; V18-T105 VanDerWaalsContact CG2-CG2 3.43Å; C96-T105 PolarHBondContact SG-O 3.13Å; C96-T105 VanDerWaalsContact SG-O 3.34Å; S103-T105 PolarHBondContact O-N 3.01Å; S103-T105 VanDerWaalsContact O-N 3.1Å; S103-T105 WeakPolarHBondContact OG-CB 3.49Å; S103-T105 WeakPolarHBondContact OG-CG2 3.38Å; S103-T105 PolarHBondContact OG-N 3.13Å; S103-T105 PolarHBondContact OG-OG1 3.37Å; T105-C112 WeakPolarHBondContact O-CA 3.37Å; T105-S113 PolarHBondContact O-N 3.46Å
106	C	79.3	Confident	78.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.6	166.2	72.7	0	0	0	0	111.3	Q19 T20 C94 R111	Q19-C106 WeakPolarHBondContact CB-O 3.48Å; Q19-C106 PolarHBondContact NE2-O 3.32Å; Q19-C106 PolarHBondContact OE1-O 3.17Å; T20-C106 PolarHBondContact OG1-O 2.7Å; C94-C106 VanDerWaalsContact CA-SG 3.52Å; C94-C106 HydrophobicContact CB-CB 3.76Å; C94-C106 WeakPolarHBondContact CB-SG 3.36Å; C94-C106 WeakPolarHBondContact SG-CB 3.46Å; C94-C106 PolarHBondContact SG-N 3.37Å; C94-C106 CovalentContact SG-SG 2.03Å; C94-C106 PolarHBondContact SG-SG 2.99Å; C106-R111 CarbonylContact C-O 3.54Å; C106-R111 VanDerWaalsContact CA-O 3.27Å; C106-R111 WeakPolarHBondContact CA-O 3.43Å
107	D	78.8	Confident	77.6	Confident	52 Å²	52	58.8 Å²	58.8	28%	0.278	33%	0.334	S	S	.	.			trans	-62.6	176	177.8	110.4	-62.8	0	0	0	111.9	T20 R109 G110 R111	T20-D107 VanDerWaalsContact CB-C 3.49Å; T20-D107 WeakPolarHBondContact CB-O 3.44Å; T20-D107 WeakPolarHBondContact CG2-O 3.47Å; T20-D107 PolarHBondContact OG1-O 2.79Å; D107-R109 PolarHBondContact O-N 3.09Å; D107-R109 WeakPolarHBondContact OD1-CA 3.43Å; D107-R109 PolarHBondContact OD1-N 3.26Å; D107-R109 PolarHBondContact OD2-N 3.44Å; D107-G110 PolarHBondContact O-N 2.98Å; D107-R111 PolarHBondContact N-O 2.85Å; D107-R111 VanDerWaalsContact OD1-CB 3.28Å; D107-R111 WeakPolarHBondContact OD1-CB 3.28Å; D107-R111 PolarHBondContact OD1-N 3.14Å; D107-R111 VanDerWaalsContact OD1-N 3.14Å
108	S	71.4	Confident	77.5	Confident	20 Å²	20	58.2 Å²	58.2	14%	0.14	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-29	-53.1	168.4	70	0	0	0	0	115.1	T20 T21 Y22 G110	T20-S108 VanDerWaalsContact CB-CA 3.45Å; T20-S108 VanDerWaalsContact CG2-CA 3.47Å; T21-S108 WeakPolarHBondContact CA-O 3.3Å; T21-S108 PolarHBondContact N-O 3.01Å; T21-S108 PolarHBondContact OG1-O 2.88Å; Y22-S108 WeakPolarHBondContact CD2-OG 3.34Å; Y22-S108 VanDerWaalsContact CE2-OG 3.23Å; Y22-S108 WeakPolarHBondContact CE2-OG 3.39Å; S108-G110 VanDerWaalsContact C-N 3.26Å; S108-G110 PolarHBondContact O-N 3.35Å
109	R	74.6	Confident	77.4	Confident	151 Å²	151	56 Å²	56	57%	0.57	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	8.2	-173.2	-64.3	-171.6	170.1	105.8	3	114.4	Y22 D107	Y22-R109 HydrophobicContact CD2-CG 4.1Å; Y22-R109 VanDerWaalsContact CE2-CZ 3.46Å; D107-R109 PolarHBondContact O-N 3.09Å; D107-R109 WeakPolarHBondContact OD1-CA 3.43Å; D107-R109 PolarHBondContact OD1-N 3.26Å; D107-R109 PolarHBondContact OD2-N 3.44Å
110	G	76.8	Confident	77.7	Confident	2 Å²	2	55 Å²	55	2%	0.021	31%	0.313	C	S	.	.	S	Bend	trans	81.4	15	-170.7	0	0	0	0	0	113.3	D107 S108 K122	D107-G110 PolarHBondContact O-N 2.98Å; S108-G110 VanDerWaalsContact C-N 3.26Å; S108-G110 PolarHBondContact O-N 3.35Å; G110-K122 PolarHBondContact O-NZ 3.26Å
111	R	82.9	Confident	78.1	Confident	128 Å²	128	59.1 Å²	59.1	48%	0.483	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-86.8	121	-180	167.4	-179.2	-65.1	159.1	5.7	111.9	C106 D107 D121	C106-R111 CarbonylContact C-O 3.54Å; C106-R111 VanDerWaalsContact CA-O 3.27Å; C106-R111 WeakPolarHBondContact CA-O 3.43Å; D107-R111 PolarHBondContact N-O 2.85Å; D107-R111 VanDerWaalsContact OD1-CB 3.28Å; D107-R111 WeakPolarHBondContact OD1-CB 3.28Å; D107-R111 PolarHBondContact OD1-N 3.14Å; D107-R111 VanDerWaalsContact OD1-N 3.14Å; R111-D121 CarbonylContact C-O 3.59Å; R111-D121 WeakPolarHBondContact CA-O 3.06Å; R111-D121 IonicContact CZ-OD1 2.75Å; R111-D121 IonicContact NE-OD1 3.63Å; R111-D121 PolarHBondContact NE-OD1 2.97Å; R111-D121 IonicContact NH2-OD1 2.83Å; R111-D121 PolarHBondContact NH2-OD1 3.37Å; R111-D121 IonicContact NH2-OD2 2.79Å
112	C	84.4	Confident	78.3	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.034	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	150.5	178.9	-59.3	0	0	0	0	112.7	C96 T105 D121 C123	C96-C112 WeakPolarHBondContact CA-SG 3.49Å; C96-C112 HydrophobicContact CB-CB 3.68Å; C96-C112 WeakPolarHBondContact CB-SG 3.48Å; C96-C112 WeakPolarHBondContact SG-CB 3.46Å; C96-C112 CovalentContact SG-SG 2.03Å; C96-C112 PolarHBondContact SG-SG 2.97Å; T105-C112 WeakPolarHBondContact O-CA 3.37Å; C112-D121 PolarHBondContact N-O 2.99Å; C112-C123 WeakPolarHBondContact CB-SG 3.42Å; C112-C123 PolarHBondContact O-SG 3.03Å
113	S	85.8	Confident	78.5	Confident	60 Å²	60	56.6 Å²	56.6	42%	0.42	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.3	172.6	-62.7	0	0	0	0	110.1	S101 V102 T105 C123	S101-S113 CarbonylContact C-O 3.43Å; S101-S113 VanDerWaalsContact CA-O 3.29Å; S101-S113 WeakPolarHBondContact CA-O 3.44Å; S101-S113 WeakPolarHBondContact CB-O 3.43Å; V102-S113 PolarHBondContact N-O 3.29Å; T105-S113 PolarHBondContact O-N 3.46Å; S113-C123 VanDerWaalsContact C-SG 3.52Å
114	C	83.8	Confident	78.7	Confident	44 Å²	44	57.5 Å²	57.5	30%	0.297	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	150.1	-171	-50.8	0	0	0	0	113.7	V102 V118 C123	V102-C114 WeakPolarHBondContact CG2-O 3.33Å; C114-V118 HydrophobicContact CB-CB 4.38Å; C114-V118 HydrophobicContact CB-CG1 4.42Å; C114-V118 WeakPolarHBondContact CB-O 3.33Å; C114-C123 WeakPolarHBondContact CA-SG 3.45Å; C114-C123 HydrophobicContact CB-CB 3.72Å; C114-C123 WeakPolarHBondContact CB-SG 3.42Å; C114-C123 PolarHBondContact N-SG 2.84Å; C114-C123 WeakPolarHBondContact SG-CA 3.45Å; C114-C123 WeakPolarHBondContact SG-CB 3.3Å; C114-C123 CovalentContact SG-SG 2.04Å; C114-C123 PolarHBondContact SG-SG 3.37Å
115	K	74.4	Confident	78.8	Confident	86 Å²	86	57 Å²	57	37%	0.374	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-75.6	158.3	170.6	-69.3	159.3	173.1	141.3	0	110.2	P98 A99 G100 S101 V102 G117 V118	P98-K115 PolarHBondContact O-NZ 3.29Å; A99-K115 VanDerWaalsContact O-CD 3.3Å; A99-K115 WeakPolarHBondContact O-CD 3.43Å; A99-K115 PolarHBondContact O-NZ 2.92Å; G100-K115 WeakPolarHBondContact O-CB 3.38Å; G100-K115 PolarHBondContact O-N 3.43Å; S101-K115 WeakPolarHBondContact O-CE 3.4Å; S101-K115 PolarHBondContact O-NZ 3.24Å; V102-K115 HydrophobicContact CG2-CG 4Å; K115-G117 PolarHBondContact O-N 2.86Å; K115-V118 WeakPolarHBondContact O-CB 3.48Å; K115-V118 PolarHBondContact O-N 3.02Å
116	D	72.2	Confident	78.7	Confident	172 Å²	172	56 Å²	56	92%	0.92	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	133	-179.4	-63.9	-48.7	0	0	0	112.5	V118	D116-V118 VanDerWaalsContact C-N 3.35Å
117	G	69.4	Low	78.2	Confident	55 Å²	55	61.2 Å²	61.2	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	8	-174.7	0	0	0	0	0	115	K115 P127	K115-G117 PolarHBondContact O-N 2.86Å; G117-P127 WeakPolarHBondContact O-CD 3.32Å
118	V	76.6	Confident	77.5	Confident	27 Å²	27	66.3 Å²	66.3	16%	0.164	37%	0.369	C	S	.	.			trans	-121.5	144	177.3	-178.4	0	0	0	0	111	C114 K115 D116 C123 M131	C114-V118 HydrophobicContact CB-CB 4.38Å; C114-V118 HydrophobicContact CB-CG1 4.42Å; C114-V118 WeakPolarHBondContact CB-O 3.33Å; K115-V118 WeakPolarHBondContact O-CB 3.48Å; K115-V118 PolarHBondContact O-N 3.02Å; D116-V118 VanDerWaalsContact C-N 3.35Å; V118-C123 VanDerWaalsContact CG1-C 3.45Å; V118-C123 HydrophobicContact CG1-CB 3.87Å; V118-C123 WeakPolarHBondContact CG1-O 3.21Å; V118-M131 HydrophobicContact CB-CE 4.21Å; V118-M131 HydrophobicContact CG1-CE 3.41Å; V118-M131 VanDerWaalsContact CG1-CE 3.41Å; V118-M131 HydrophobicContact CG2-CE 3.69Å
119	S	76.1	Confident	77.3	Confident	61 Å²	61	66.4 Å²	66.4	43%	0.427	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-140.2	-177.4	-175.3	69.5	0	0	0	0	112.6	C123 D124 L125	S119-C123 CarbonylContact O-C 3.21Å; S119-C123 VanDerWaalsContact O-CA 3.3Å; S119-C123 WeakPolarHBondContact O-CA 3.41Å; S119-D124 PolarHBondContact O-N 2.76Å; S119-D124 VanDerWaalsContact O-N 3.16Å; S119-L125 PolarHBondContact N-O 3Å; S119-L125 PolarHBondContact O-N 3.4Å; S119-L125 WeakPolarHBondContact OG-CB 3.25Å; S119-L125 PolarHBondContact OG-O 3.43Å
120	G	77.7	Confident	76.7	Confident	29 Å²	29	64.7 Å²	64.7	30%	0.299	38%	0.382	S	S	.	.	S	Bend	trans	90.5	152.1	-174.4	0	0	0	0	0	112.7	K122 C123	G120-K122 PolarHBondContact O-N 3.3Å; G120-C123 PolarHBondContact O-N 2.92Å
121	D	81.8	Confident	76.1	Confident	86 Å²	86	65.8 Å²	65.8	46%	0.46	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.3	-179.4	-77.3	-31.7	0	0	0	113	R111 C112	R111-D121 CarbonylContact C-O 3.59Å; R111-D121 WeakPolarHBondContact CA-O 3.06Å; R111-D121 IonicContact CZ-OD1 2.75Å; R111-D121 IonicContact NE-OD1 3.63Å; R111-D121 PolarHBondContact NE-OD1 2.97Å; R111-D121 IonicContact NH2-OD1 2.83Å; R111-D121 PolarHBondContact NH2-OD1 3.37Å; R111-D121 IonicContact NH2-OD2 2.79Å; C112-D121 PolarHBondContact N-O 2.99Å
122	K	86.5	Confident	75.2	Confident	48 Å²	48	61.7 Å²	61.7	21%	0.209	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	7.6	174.8	-54.1	-58.7	175.4	-173.8	0	113.8	C94 N97 G110 G120 D124	C94-K122 WeakPolarHBondContact O-CD 3.24Å; C94-K122 WeakPolarHBondContact O-CE 3.45Å; C94-K122 PolarHBondContact O-NZ 3.42Å; N97-K122 WeakPolarHBondContact CB-O 3.37Å; N97-K122 PolarHBondContact N-O 3.27Å; G110-K122 PolarHBondContact O-NZ 3.26Å; G120-K122 PolarHBondContact O-N 3.3Å; K122-D124 VanDerWaalsContact C-N 3.31Å; K122-D124 HydrophobicContact CB-CB 4.4Å
123	C	84.6	Confident	73.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	43%	0.425	C	S	.	.	S	Bend	trans	57.5	42.3	-176.4	-49.1	0	0	0	0	113.1	N97 G100 C112 S113 C114 V118 S119 G120 M131	N97-C123 WeakPolarHBondContact CB-O 3.4Å; G100-C123 WeakPolarHBondContact CA-O 3.5Å; C112-C123 WeakPolarHBondContact CB-SG 3.42Å; C112-C123 PolarHBondContact O-SG 3.03Å; S113-C123 VanDerWaalsContact C-SG 3.52Å; C114-C123 WeakPolarHBondContact CA-SG 3.45Å; C114-C123 HydrophobicContact CB-CB 3.72Å; C114-C123 WeakPolarHBondContact CB-SG 3.42Å; C114-C123 PolarHBondContact N-SG 2.84Å; C114-C123 WeakPolarHBondContact SG-CA 3.45Å; C114-C123 WeakPolarHBondContact SG-CB 3.3Å; C114-C123 CovalentContact SG-SG 2.04Å; C114-C123 PolarHBondContact SG-SG 3.37Å; V118-C123 VanDerWaalsContact CG1-C 3.45Å; V118-C123 HydrophobicContact CG1-CB 3.87Å; V118-C123 WeakPolarHBondContact CG1-O 3.21Å; S119-C123 CarbonylContact O-C 3.21Å; S119-C123 VanDerWaalsContact O-CA 3.3Å; S119-C123 WeakPolarHBondContact O-CA 3.41Å; G120-C123 PolarHBondContact O-N 2.92Å; C123-M131 WeakPolarHBondContact O-CE 3.35Å
124	D	81.7	Confident	72.3	Confident	65 Å²	65	69.7 Å²	69.7	35%	0.348	44%	0.437	S	S	.	.			trans	-115.6	2.3	-170.1	57.4	-36.5	0	0	0	113.5	N97 S119 K122 M131	N97-D124 HydrophobicContact CB-CB 4.14Å; S119-D124 PolarHBondContact O-N 2.76Å; S119-D124 VanDerWaalsContact O-N 3.16Å; K122-D124 VanDerWaalsContact C-N 3.31Å; K122-D124 HydrophobicContact CB-CB 4.4Å; D124-M131 VanDerWaalsContact O-CB 3.23Å; D124-M131 WeakPolarHBondContact O-CB 3.41Å; D124-M131 PolarHBondContact O-N 2.94Å
125	L	76.1	Confident	71.3	Confident	70 Å²	70	68.2 Å²	68.2	37%	0.366	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.4	179.5	-70	163.3	0	0	0	111.6	S119	S119-L125 PolarHBondContact N-O 3Å; S119-L125 PolarHBondContact O-N 3.4Å; S119-L125 WeakPolarHBondContact OG-CB 3.25Å; S119-L125 PolarHBondContact OG-O 3.43Å
126	C	77.3	Confident	70.8	Confident	15 Å²	15	66.5 Å²	66.5	10%	0.101	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	165.4	164.1	-55.5	0	0	0	0	109.8	D128 G129 C136	C126-D128 PolarHBondContact O-N 3.46Å; C126-G129 WeakPolarHBondContact CA-O 3.37Å; C126-G129 WeakPolarHBondContact CB-O 3.38Å; C126-G129 PolarHBondContact N-O 3.07Å; C126-G129 PolarHBondContact O-N 3.15Å; C126-G129 VanDerWaalsContact O-N 3.12Å; C126-G129 VanDerWaalsContact O-O 3.12Å; C126-C136 HydrophobicContact CB-CB 3.88Å; C126-C136 WeakPolarHBondContact CB-SG 3.36Å; C126-C136 WeakPolarHBondContact SG-CA 3.33Å; C126-C136 WeakPolarHBondContact SG-CB 3.49Å; C126-C136 CovalentContact SG-SG 2.04Å; C126-C136 PolarHBondContact SG-SG 3.36Å
127	P	68.9	Low	69.9	Low	109 Å²	109	68 Å²	68	71%	0.708	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.6	178.2	-25.7	36.1	0	0	0	113.4	G117	G117-P127 WeakPolarHBondContact O-CD 3.32Å
128	D	64.6	Low	68.8	Low	159 Å²	159	77.2 Å²	77.2	85%	0.85	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	5.8	-178.6	-49.3	-57.9	0	0	0	113.9	C126	C126-D128 PolarHBondContact O-N 3.46Å
129	G	67.1	Low	66.8	Low	22 Å²	22	87.6 Å²	87.6	23%	0.227	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.6	-163.1	177.6	0	0	0	0	0	115.6	C126	C126-G129 WeakPolarHBondContact CA-O 3.37Å; C126-G129 WeakPolarHBondContact CB-O 3.38Å; C126-G129 PolarHBondContact N-O 3.07Å; C126-G129 PolarHBondContact O-N 3.15Å; C126-G129 VanDerWaalsContact O-N 3.12Å; C126-G129 VanDerWaalsContact O-O 3.12Å
130	P	62.3	Low	65.2	Low	115 Å²	115	96.1 Å²	96.1	75%	0.747	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	138.8	-176.9	-24.7	34.9	0	0	0	113.5	G132	P130-G132 PolarHBondContact O-N 3.35Å
131	M	65.1	Low	62.9	Low	25 Å²	25	102.7 Å²	102.7	12%	0.123	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-69.1	124.8	-179.6	-171.8	176.8	-56.7	0	0	111.7	A99 V118 C123 D124	A99-M131 HydrophobicContact CB-SD 3.82Å; V118-M131 HydrophobicContact CB-CE 4.21Å; V118-M131 HydrophobicContact CG1-CE 3.41Å; V118-M131 VanDerWaalsContact CG1-CE 3.41Å; V118-M131 HydrophobicContact CG2-CE 3.69Å; C123-M131 WeakPolarHBondContact O-CE 3.35Å; D124-M131 VanDerWaalsContact O-CB 3.23Å; D124-M131 WeakPolarHBondContact O-CB 3.41Å; D124-M131 PolarHBondContact O-N 2.94Å
132	G	62.2	Low	60.7	Low	43 Å²	43	106.2 Å²	106.2	44%	0.443	53%	0.534	S	S	.	.	B	Isolated β-bridge	trans	-76.1	172.4	172.7	0	0	0	0	0	113.1	P130 D134 G135	P130-G132 PolarHBondContact O-N 3.35Å; G132-D134 PolarHBondContact O-N 2.83Å; G132-D134 VanDerWaalsContact O-N 3.15Å; G132-G135 PolarHBondContact O-N 2.82Å
133	A	54.6	Low	57.9	Low	106 Å²	106	114.3 Å²	114.3	88%	0.876	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-29.5	179.6	0	0	0	0	0	113.7	G135	A133-G135 VanDerWaalsContact C-N 3.33Å
134	D	56.4	Low	55.6	Low	127 Å²	127	120.9 Å²	120.9	68%	0.679	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	4.2	178.8	-41.6	-48	0	0	0	113.4	G132 R137	G132-D134 PolarHBondContact O-N 2.83Å; G132-D134 VanDerWaalsContact O-N 3.15Å; D134-R137 IonicContact OD2-CZ 3.18Å; D134-R137 IonicContact OD2-NE 2.77Å; D134-R137 IonicContact OD2-NH2 3.03Å; D134-R137 PolarHBondContact OD2-NH2 3.46Å
135	G	62.5	Low	53.2	Low	13 Å²	13	124.7 Å²	124.7	13%	0.134	61%	0.614	C	S	.	*	B	Isolated β-bridge	trans	80.1	-161.1	-170	0	0	0	0	0	113.9	G132 A133 R137	G132-G135 PolarHBondContact O-N 2.82Å; A133-G135 VanDerWaalsContact C-N 3.33Å; G135-R137 PolarHBondContact O-N 2.78Å
136	C	62.8	Low	51.4	Low	50 Å²	50	126.9 Å²	126.9	34%	0.338	64%	0.636	S	S	.	*	S	Bend	trans	-77.4	114.3	179.7	-56	0	0	0	0	111.7	C126 R138	C126-C136 HydrophobicContact CB-CB 3.88Å; C126-C136 WeakPolarHBondContact CB-SG 3.36Å; C126-C136 WeakPolarHBondContact SG-CA 3.33Å; C126-C136 WeakPolarHBondContact SG-CB 3.49Å; C126-C136 CovalentContact SG-SG 2.04Å; C126-C136 PolarHBondContact SG-SG 3.36Å; C136-R138 PolarHBondContact O-N 2.78Å
137	R	54.6	Low	49.3	Very low	202 Å²	202	129.8 Å²	129.8	76%	0.762	67%	0.668	S	S	*	*			trans	-71	108	-179.6	-71.5	-174.9	173.5	-173.3	-2.7	112	D134 G135 R139	D134-R137 IonicContact OD2-CZ 3.18Å; D134-R137 IonicContact OD2-NE 2.77Å; D134-R137 IonicContact OD2-NH2 3.03Å; D134-R137 PolarHBondContact OD2-NH2 3.46Å; G135-R137 PolarHBondContact O-N 2.78Å; R137-R139 PolarHBondContact O-N 3.46Å
138	R	44.8	Very low	47.9	Very low	249 Å²	249	130 Å²	130	94%	0.94	67%	0.672	S	S	*	*			trans	-69.7	108.5	168.3	-71.5	-178.9	173.4	164.4	-1.8	110.8	C136	C136-R138 PolarHBondContact O-N 2.78Å
139	R	36.5	Very low	47	Very low	246 Å²	246	130.7 Å²	130.7	93%	0.928	67%	0.674	S	S	*	*			trans	-78.3	132.4	161.8	-94.4	-170.1	171	-156.4	-1.4	110.2	R137	R137-R139 PolarHBondContact O-N 3.46Å
140	R	42.1	Very low	46.3	Very low	240 Å²	240	134.7 Å²	134.7	91%	0.906	70%	0.695	S	S	*	*			trans	-89.2	108.1	157.8	-77.1	177.8	168.7	171.8	-5	108
141	Q	28.8	Very low	46.2	Very low	166 Å²	166	130.8 Å²	130.8	78%	0.776	67%	0.667	S	S	*	*			trans	177.1	127.2	131.4	-99.2	-179.9	-83.5	0	0	111.2
142	E	35	Very low	46.2	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	68%	0.678	S	S	*	*			trans	37.1	99.8	138.7	-61.8	161	134.3	0	0	118.9
143	R	29.2	Very low	46.7	Very low	217 Å²	217	131.2 Å²	131.2	82%	0.819	66%	0.664	S	S	*	*				-165	141	108.5	-115.9	-168.1	162.7	152.7	2.3	115.7
144	E	35.2	Very low	47.8	Very low	138 Å²	138	126.9 Å²	126.9	65%	0.645	63%	0.626	S	S	*	*				-0.8	134.4	129.2	-60.3	153.8	155.6	0	0	115.2
145	D	31.8	Very low	49.1	Very low	145 Å²	145	120.9 Å²	120.9	78%	0.775	59%	0.594	S	S	*	*			cis	-157.3	164.8	23.4	-114.3	-34.3	0	0	0	115.5
146	S	37.4	Very low	50	Low	117 Å²	117	121 Å²	121	82%	0.818	59%	0.591	S	S	*	*			trans	56.2	95	156.8	-64	0	0	0	0	119.5
147	G	32.8	Very low	50.7	Low	75 Å²	75	121.4 Å²	121.4	77%	0.773	60%	0.603	S	S	*	*			trans	-168.6	15.5	177	0	0	0	0	0	120.3
148	S	40.8	Very low	52.1	Low	114 Å²	114	113.3 Å²	113.3	80%	0.797	57%	0.574	S	S	*	*			trans	56.3	56.8	170.8	-173.6	0	0	0	0	117.2
149	L	45.2	Very low	53.9	Low	173 Å²	173	102.4 Å²	102.4	91%	0.906	54%	0.535	S	S	*	.			trans	-114.4	11.6	160.2	-111	172.6	0	0	0	113.9	L151	L149-L151 PolarHBondContact O-N 3.3Å
150	T	53.4	Low	55.7	Low	107 Å²	107	99.5 Å²	99.5	66%	0.656	53%	0.532	S	S	*	.			trans	-68.7	110.4	166.3	43.9	0	0	0	0	109.9
151	L	58.5	Low	57.6	Low	32 Å²	32	97.1 Å²	97.1	17%	0.168	52%	0.523	C	S	.	.			trans	-55.9	132.6	146.7	-82.5	153.3	0	0	0	107	L149 C153 Y234	L149-L151 PolarHBondContact O-N 3.3Å; L151-C153 PolarHBondContact O-N 3.08Å; L151-Y234 HydrophobicContact CB-CE1 4.41Å; L151-Y234 HydrophobicContact CD2-CD1 4.38Å; L151-Y234 HydrophobicContact CD2-CE1 3.66Å
152	P	65.4	Low	60.1	Low	54 Å²	54	90.8 Å²	90.8	35%	0.351	50%	0.497	S	S	.	.			trans	-56.9	123.4	179.3	-27.9	36.4	0	0	0	111.3	F154 Y234 S302 Q306	P152-F154 PolarHBondContact O-N 3.5Å; P152-F154 VanDerWaalsContact O-N 3.08Å; P152-Y234 WeakPolarHBondContact CD-OH 3.42Å; P152-S302 WeakPolarHBondContact CB-OG 3.48Å; P152-S302 WeakPolarHBondContact CG-OG 3.38Å; P152-Q306 PolarHBondContact O-NE2 2.84Å
153	C	73	Confident	62.2	Low	23 Å²	23	86.7 Å²	86.7	16%	0.155	49%	0.486	C	S	.	.			trans	-57.7	111	179	-60.5	0	0	0	0	110	L151 C155 E160 C162	L151-C153 PolarHBondContact O-N 3.08Å; C153-C155 VanDerWaalsContact C-N 3.35Å; C153-C155 PolarHBondContact O-N 3.28Å; C153-E160 PolarHBondContact SG-O 3.47Å; C153-C162 HydrophobicContact CB-CB 3.59Å; C153-C162 WeakPolarHBondContact CB-SG 3.42Å; C153-C162 WeakPolarHBondContact SG-CB 3.14Å; C153-C162 PolarHBondContact SG-N 2.85Å; C153-C162 VanDerWaalsContact SG-N 3.38Å; C153-C162 CovalentContact SG-SG 2.03Å; C153-C162 PolarHBondContact SG-SG 2.88Å
154	F	77.7	Confident	64.2	Low	15 Å²	15	79.7 Å²	79.7	7%	0.066	47%	0.474	C	S	.	.			trans	-77.1	91.4	172.9	-176.7	-104.2	0	0	0	110.2	P152 Y156 L231 Q306 C351 F379	P152-F154 PolarHBondContact O-N 3.5Å; P152-F154 VanDerWaalsContact O-N 3.08Å; F154-Y156 HydrophobicContact CD1-CD2 4.2Å; F154-Y156 HydrophobicContact CD1-CE2 4.12Å; F154-Y156 AromaticContact CE1-CD1 3.8Å; F154-Y156 HydrophobicContact CE1-CD1 3.8Å; F154-Y156 AromaticContact CE1-CD2 3.58Å; F154-Y156 HydrophobicContact CE1-CD2 3.58Å; F154-Y156 AromaticContact CE1-CE1 3.61Å; F154-Y156 HydrophobicContact CE1-CE1 3.61Å; F154-Y156 AromaticContact CE1-CE2 3.37Å; F154-Y156 HydrophobicContact CE1-CE2 3.37Å; F154-Y156 AromaticContact CE1-CG 3.8Å; F154-Y156 HydrophobicContact CE1-CG 3.8Å; F154-Y156 AromaticContact CE1-CZ 3.41Å; F154-Y156 VanDerWaalsContact CE1-CZ 3.41Å; F154-Y156 HydrophobicContact CE2-CD1 4.47Å; F154-Y156 AromaticContact CZ-CD1 3.51Å; F154-Y156 HydrophobicContact CZ-CD1 3.51Å; F154-Y156 HydrophobicContact CZ-CD2 4.11Å; F154-Y156 AromaticContact CZ-CE1 3.53Å; F154-Y156 HydrophobicContact CZ-CE1 3.53Å; F154-Y156 HydrophobicContact CZ-CE2 4.12Å; F154-Y156 AromaticContact CZ-CG 3.82Å; F154-Y156 HydrophobicContact CZ-CG 3.82Å; F154-Y156 AromaticContact CZ-CZ 3.87Å; F154-L231 HydrophobicContact CB-CD1 4.27Å; F154-L231 HydrophobicContact CD1-CD1 3.42Å; F154-L231 VanDerWaalsContact CD1-CD1 3.42Å; F154-L231 HydrophobicContact CD1-CD2 3.42Å; F154-L231 VanDerWaalsContact CD1-CD2 3.42Å; F154-L231 HydrophobicContact CD1-CG 3.96Å; F154-L231 HydrophobicContact CD2-CD1 4.19Å; F154-L231 HydrophobicContact CE1-CD1 3.56Å; F154-L231 HydrophobicContact CE1-CD2 3.37Å; F154-L231 HydrophobicContact CE1-CG 4.08Å; F154-L231 HydrophobicContact CE2-CD1 4.32Å; F154-L231 HydrophobicContact CG-CD1 3.69Å; F154-L231 HydrophobicContact CG-CD2 4.47Å; F154-L231 HydrophobicContact CZ-CD1 4.01Å; F154-L231 HydrophobicContact CZ-CD2 4.43Å; F154-Q306 HydrophobicContact CB-CG 4.42Å; F154-Q306 HydrophobicContact CD2-CB 3.35Å; F154-Q306 HydrophobicContact CD2-CG 3.98Å; F154-Q306 VanDerWaalsContact CD2-OE1 3.31Å; F154-Q306 HydrophobicContact CE2-CB 3.57Å; F154-Q306 HydrophobicContact CG-CB 4.13Å; F154-Q306 HydrophobicContact CG-CG 4.46Å; F154-C351 PolarHBondContact O-SG 3.49Å; F154-F379 AromaticContact CE2-CE1 3.75Å; F154-F379 HydrophobicContact CE2-CE1 3.75Å; F154-F379 HydrophobicContact CE2-CZ 4.17Å; F154-F379 AromaticContact CZ-CE1 3.73Å; F154-F379 HydrophobicContact CZ-CE1 3.73Å; F154-F379 AromaticContact CZ-CZ 3.82Å; F154-F379 HydrophobicContact CZ-CZ 3.82Å
155	C	84	Confident	66	Low	1 Å²	1	76.8 Å²	76.8	1%	0.007	46%	0.458	C	S	.	.	S	Bend	trans	-109.4	34.6	175.8	-48.5	0	0	0	0	111.7	C153 G157 H158 S159 C351 F361 C362	C153-C155 VanDerWaalsContact C-N 3.35Å; C153-C155 PolarHBondContact O-N 3.28Å; C155-G157 PolarHBondContact O-N 2.97Å; C155-H158 PolarHBondContact O-CD2 2.94Å; C155-H158 PolarHBondContact O-N 3.3Å; C155-S159 WeakPolarHBondContact CB-O 3.42Å; C155-S159 PolarHBondContact SG-O 3.3Å; C155-C351 WeakPolarHBondContact CA-SG 3.4Å; C155-C351 HydrophobicContact CB-CB 3.68Å; C155-C351 WeakPolarHBondContact CB-SG 3.43Å; C155-C351 WeakPolarHBondContact SG-CB 3.39Å; C155-C351 CovalentContact SG-SG 2.02Å; C155-C351 PolarHBondContact SG-SG 2.93Å; C155-F361 CarbonylContact C-O 3.41Å; C155-F361 WeakPolarHBondContact CA-O 3.11Å; C155-C362 HydrophobicContact CB-CB 4.49Å
156	Y	81.1	Confident	67.9	Low	17 Å²	17	75.5 Å²	75.5	7%	0.067	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	21.7	-169	-71.1	-93.3	0	0	0	115.4	F154 Q310 F361 E363 A378 F379	F154-Y156 HydrophobicContact CD1-CD2 4.2Å; F154-Y156 HydrophobicContact CD1-CE2 4.12Å; F154-Y156 AromaticContact CE1-CD1 3.8Å; F154-Y156 HydrophobicContact CE1-CD1 3.8Å; F154-Y156 AromaticContact CE1-CD2 3.58Å; F154-Y156 HydrophobicContact CE1-CD2 3.58Å; F154-Y156 AromaticContact CE1-CE1 3.61Å; F154-Y156 HydrophobicContact CE1-CE1 3.61Å; F154-Y156 AromaticContact CE1-CE2 3.37Å; F154-Y156 HydrophobicContact CE1-CE2 3.37Å; F154-Y156 AromaticContact CE1-CG 3.8Å; F154-Y156 HydrophobicContact CE1-CG 3.8Å; F154-Y156 AromaticContact CE1-CZ 3.41Å; F154-Y156 VanDerWaalsContact CE1-CZ 3.41Å; F154-Y156 HydrophobicContact CE2-CD1 4.47Å; F154-Y156 AromaticContact CZ-CD1 3.51Å; F154-Y156 HydrophobicContact CZ-CD1 3.51Å; F154-Y156 HydrophobicContact CZ-CD2 4.11Å; F154-Y156 AromaticContact CZ-CE1 3.53Å; F154-Y156 HydrophobicContact CZ-CE1 3.53Å; F154-Y156 HydrophobicContact CZ-CE2 4.12Å; F154-Y156 AromaticContact CZ-CG 3.82Å; F154-Y156 HydrophobicContact CZ-CG 3.82Å; F154-Y156 AromaticContact CZ-CZ 3.87Å; Y156-Q310 HydrophobicContact CE1-CG 4.14Å; Y156-F361 HydrophobicContact CD2-CB 4.15Å; Y156-F361 WeakPolarHBondContact CD2-O 3.35Å; Y156-F361 HydrophobicContact CE2-CB 4.01Å; Y156-E363 HydrophobicContact CD2-CB 3.81Å; Y156-E363 HydrophobicContact CE2-CB 3.46Å; Y156-E363 VanDerWaalsContact CE2-CB 3.46Å; Y156-A378 WeakPolarHBondContact CB-O 3.41Å; Y156-A378 HydrophobicContact CD1-CB 3.32Å; Y156-A378 HydrophobicContact CD2-CB 4.25Å; Y156-A378 HydrophobicContact CE1-CB 3.34Å; Y156-A378 HydrophobicContact CE2-CB 4.28Å; Y156-A378 HydrophobicContact CG-CB 3.8Å; Y156-F379 AromaticContact CD1-CD1 3.75Å; Y156-F379 HydrophobicContact CD1-CD1 3.75Å; Y156-F379 HydrophobicContact CD1-CD2 4.16Å; Y156-F379 AromaticContact CD1-CE1 3.56Å; Y156-F379 HydrophobicContact CD1-CE1 3.56Å; Y156-F379 AromaticContact CD1-CE2 3.96Å; Y156-F379 HydrophobicContact CD1-CE2 3.96Å; Y156-F379 HydrophobicContact CD1-CG 4.07Å; Y156-F379 AromaticContact CD1-CZ 3.66Å; Y156-F379 HydrophobicContact CD1-CZ 3.66Å; Y156-F379 HydrophobicContact CE1-CE1 4.27Å; Y156-F379 HydrophobicContact CE1-CE2 4.1Å; Y156-F379 AromaticContact CE1-CZ 3.92Å; Y156-F379 HydrophobicContact CE1-CZ 3.92Å; Y156-F379 HydrophobicContact CG-CD1 4.44Å; Y156-F379 HydrophobicContact CG-CE1 4.39Å
157	G	78.5	Confident	69.9	Low	57 Å²	57	72.5 Å²	72.5	59%	0.588	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-4.3	-176.8	0	0	0	0	0	115.2	C155	C155-G157 PolarHBondContact O-N 2.97Å
158	H	83.2	Confident	72.4	Confident	33 Å²	33	69.8 Å²	69.8	15%	0.153	41%	0.412	C	S	.	.	S	Bend	trans	-90.8	-14.1	-172.7	-49.5	-50.2	0	0	0	114.2	C155 P354 Y357 C362 A378 F379 S380	C155-H158 PolarHBondContact O-CD2 2.94Å; C155-H158 PolarHBondContact O-N 3.3Å; H158-P354 HydrophobicContact CB-CG 4.44Å; H158-P354 WeakPolarHBondContact O-CD 3.32Å; H158-P354 VanDerWaalsContact O-CG 3.32Å; H158-P354 WeakPolarHBondContact O-CG 3.39Å; H158-Y357 HydrophobicContact CB-CD1 3.91Å; H158-Y357 HydrophobicContact CB-CE1 3.87Å; H158-Y357 HydrophobicContact CB-CG 4.4Å; H158-Y357 AromaticContact CD2-CD1 3.59Å; H158-Y357 AromaticContact CD2-CE1 3.59Å; H158-Y357 AromaticContact CE1-CE1 3.67Å; H158-Y357 AromaticContact CG-CD1 3.57Å; H158-Y357 AromaticContact CG-CE1 3.29Å; H158-Y357 AromaticContact ND1-CE1 3.36Å; H158-Y357 WeakPolarHBondContact ND1-CE1 3.07Å; H158-Y357 AromaticContact ND1-CZ 3.91Å; H158-Y357 AromaticContact NE2-CE1 3.8Å; H158-C362 HydrophobicContact CB-CB 4.4Å; H158-C362 PolarHBondContact CD2-O 2.8Å; H158-A378 PolarHBondContact NE2-O 3.34Å; H158-F379 PolarHBondContact CE1-O 2.87Å; H158-S380 PolarHBondContact CE1-O 2.85Å
159	S	81.6	Confident	74.7	Confident	20 Å²	20	64.5 Å²	64.5	14%	0.14	38%	0.375	C	S	.	.			trans	-151.8	147	178.1	-171.2	0	0	0	0	111.5	C155 R161 T352	C155-S159 WeakPolarHBondContact CB-O 3.42Å; C155-S159 PolarHBondContact SG-O 3.3Å; S159-R161 PolarHBondContact OG-N 3.42Å; S159-T352 WeakPolarHBondContact CB-O 3.26Å; S159-T352 PolarHBondContact OG-O 2.89Å
160	E	75.4	Confident	76.8	Confident	184 Å²	184	58.6 Å²	58.6	86%	0.86	35%	0.346	S	S	*	.	S	Bend	trans	-105	3.7	170.3	-60	-176.9	156	0	0	111.5	C153	C153-E160 PolarHBondContact SG-O 3.47Å
161	R	80.8	Confident	78.6	Confident	191 Å²	191	56.5 Å²	56.5	72%	0.721	33%	0.328	S	S	*	.			trans	-108.3	112.5	-174.1	-59.9	-173.4	71	170	2.8	110.3	S159 T352	S159-R161 PolarHBondContact OG-N 3.42Å; R161-T352 PolarHBondContact O-N 3.39Å
162	C	81.1	Confident	80.2	Confident	33 Å²	33	58.8 Å²	58.8	22%	0.223	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	162.2	178.9	67.8	0	0	0	0	113	C153 Q349 T350	C153-C162 HydrophobicContact CB-CB 3.59Å; C153-C162 WeakPolarHBondContact CB-SG 3.42Å; C153-C162 WeakPolarHBondContact SG-CB 3.14Å; C153-C162 PolarHBondContact SG-N 2.85Å; C153-C162 VanDerWaalsContact SG-N 3.38Å; C153-C162 CovalentContact SG-SG 2.03Å; C153-C162 PolarHBondContact SG-SG 2.88Å; C162-Q349 HydrophobicContact CB-CB 3.95Å; C162-Q349 VanDerWaalsContact SG-CB 3.57Å; C162-T350 CarbonylContact C-O 3.52Å; C162-T350 WeakPolarHBondContact CA-O 3.29Å; C162-T350 WeakPolarHBondContact CB-O 3.21Å
163	S	79.9	Confident	81.5	Confident	75 Å²	75	57.2 Å²	57.2	52%	0.524	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.8	177.5	61.3	0	0	0	0	111	Q349 T350	S163-Q349 CarbonylContact O-C 3.41Å; S163-Q349 VanDerWaalsContact O-CA 3.25Å; S163-Q349 WeakPolarHBondContact O-CA 3.45Å; S163-T350 PolarHBondContact N-O 3.36Å; S163-T350 PolarHBondContact O-N 3.48Å
164	A	71	Confident	82.5	Confident	69 Å²	69	59.6 Å²	59.6	57%	0.57	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.5	-177.7	0	0	0	0	0	111.8
165	R	72.8	Confident	83.3	Confident	78 Å²	78	59.1 Å²	59.1	29%	0.294	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-100	124.6	-173.9	-175.1	143.3	-179.3	170	-12	113.4	F168 V348 T350 D360	R165-F168 HydrophobicContact CB-CD2 4.39Å; R165-F168 HydrophobicContact CG-CD2 4.06Å; R165-F168 HydrophobicContact CG-CE2 4.03Å; R165-V348 PolarHBondContact N-O 3.46Å; R165-T350 WeakPolarHBondContact CD-OG1 3.47Å; R165-T350 PolarHBondContact NH1-OG1 2.85Å; R165-D360 IonicContact CZ-OD1 3.77Å; R165-D360 IonicContact CZ-OD2 3.04Å; R165-D360 IonicContact NE-OD2 3.05Å; R165-D360 IonicContact NH1-OD1 3.32Å; R165-D360 PolarHBondContact NH1-OD1 3.46Å; R165-D360 IonicContact NH1-OD2 3.34Å; R165-D360 PolarHBondContact NH1-OD2 3.24Å; R165-D360 VanDerWaalsContact NH2-CG 3.28Å; R165-D360 IonicContact NH2-OD1 2.78Å; R165-D360 PolarHBondContact NH2-OD1 2.79Å; R165-D360 IonicContact NH2-OD2 2.78Å; R165-D360 PolarHBondContact NH2-OD2 3.04Å; R165-D360 VanDerWaalsContact NH2-OD2 3.16Å
166	P	72.2	Confident	83.5	Confident	117 Å²	117	61.9 Å²	61.9	76%	0.76	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	158.9	167.3	30.8	-35.1	0	0	0	111.7
167	G	79.9	Confident	84	Confident	55 Å²	55	61.1 Å²	61.1	57%	0.567	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-1.2	175.9	0	0	0	0	0	115.9	R339 G340	G167-R339 WeakPolarHBondContact O-CA 3.49Å; G167-G340 PolarHBondContact O-N 3.06Å; G167-G340 VanDerWaalsContact O-N 3.11Å
168	F	85.7	Confident	84.4	Confident	17 Å²	17	61.3 Å²	61.3	8%	0.075	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137	167.8	-73	-95.8	0	0	0	111.3	R165 L232 R338 R339 A344 A345 V348	R165-F168 HydrophobicContact CB-CD2 4.39Å; R165-F168 HydrophobicContact CG-CD2 4.06Å; R165-F168 HydrophobicContact CG-CE2 4.03Å; F168-L232 HydrophobicContact CD1-CD1 4.26Å; F168-L232 HydrophobicContact CE1-CD1 3.92Å; F168-R338 CarbonylContact C-O 3.57Å; F168-R338 VanDerWaalsContact CA-O 3.26Å; F168-R338 WeakPolarHBondContact CA-O 3.36Å; F168-R339 HydrophobicContact CD1-CG 4.01Å; F168-R339 HydrophobicContact CE1-CG 3.65Å; F168-R339 HydrophobicContact CE2-CG 4.23Å; F168-R339 HydrophobicContact CG-CG 4.45Å; F168-R339 HydrophobicContact CZ-CG 3.78Å; F168-A344 WeakPolarHBondContact O-CA 3.47Å; F168-A345 HydrophobicContact CB-CB 4.21Å; F168-A345 PolarHBondContact O-N 3.28Å; F168-V348 HydrophobicContact CB-CB 4.24Å; F168-V348 HydrophobicContact CB-CG1 4.44Å; F168-V348 HydrophobicContact CB-CG2 4.08Å; F168-V348 HydrophobicContact CD1-CG1 4.15Å; F168-V348 HydrophobicContact CD1-CG2 4.38Å; F168-V348 HydrophobicContact CD2-CB 4.37Å; F168-V348 HydrophobicContact CD2-CG1 3.75Å; F168-V348 HydrophobicContact CE1-CG1 4.3Å; F168-V348 HydrophobicContact CE2-CG1 3.92Å; F168-V348 HydrophobicContact CG-CB 4.22Å; F168-V348 HydrophobicContact CG-CG1 3.87Å; F168-V348 HydrophobicContact CG-CG2 4.23Å; F168-V348 HydrophobicContact CZ-CG1 4.19Å
169	S	88.9	Confident	84.4	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.021	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.9	175.9	52.8	0	0	0	0	112.5	H171 A337 R338 G340 D341 V343	S169-H171 PolarHBondContact O-N 3.04Å; S169-A337 CarbonylContact O-C 3.46Å; S169-A337 VanDerWaalsContact O-CA 3.25Å; S169-A337 WeakPolarHBondContact O-CA 3.46Å; S169-R338 PolarHBondContact N-O 3.18Å; S169-R338 PolarHBondContact O-N 3.5Å; S169-G340 WeakPolarHBondContact CB-O 3.16Å; S169-G340 PolarHBondContact OG-O 3.08Å; S169-D341 PolarHBondContact OG-O 2.97Å; S169-V343 CarbonylContact C-O 3.45Å; S169-V343 WeakPolarHBondContact CA-O 3.39Å
170	V	88.5	Confident	84.6	Confident	50 Å²	50	64 Å²	64	30%	0.303	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	130.2	177.5	-178.4	0	0	0	0	110.1	V335 V343 A345 W347	V170-V335 HydrophobicContact CG1-CG1 4.35Å; V170-V343 HydrophobicContact CG2-CB 4.23Å; V170-V343 HydrophobicContact CG2-CG1 4.19Å; V170-V343 WeakPolarHBondContact CG2-O 3.21Å; V170-V343 PolarHBondContact N-O 2.97Å; V170-A345 HydrophobicContact CG2-CB 4.37Å; V170-W347 HydrophobicContact CB-CH2 4.19Å; V170-W347 HydrophobicContact CG1-CH2 4.04Å; V170-W347 HydrophobicContact CG2-CH2 3.55Å; V170-W347 HydrophobicContact CG2-CZ3 3.77Å
171	H	91.6	Very high	85.2	Confident	62 Å²	62	58 Å²	58	29%	0.287	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119	179.2	-174.4	-119.2	0	0	0	110.6	S169 S336 R338	S169-H171 PolarHBondContact O-N 3.04Å; H171-S336 PolarHBondContact N-O 3.46Å; H171-S336 CarbonylContact O-C 3.42Å; H171-S336 VanDerWaalsContact O-C 3.28Å; H171-S336 VanDerWaalsContact O-CA 3.27Å; H171-S336 WeakPolarHBondContact O-CA 3.46Å; H171-S336 WeakPolarHBondContact O-CB 3.43Å; H171-S336 PolarHBondContact O-N 2.91Å; H171-S336 VanDerWaalsContact O-O 3.1Å; H171-R338 HydrophobicContact CB-CB 4.24Å; H171-R338 HydrophobicContact CB-CG 3.98Å; H171-R338 PolarHBondContact CD2-NH1 3.44Å; H171-R338 PolarHBondContact NE2-NH1 2.88Å; H171-R338 VanDerWaalsContact NE2-NH1 3.11Å
172	N	91.1	Very high	85.6	Confident	80 Å²	80	51.2 Å²	51.2	43%	0.428	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.2	179.5	-74.6	2.9	0	0	0	110	N333	N172-N333 WeakPolarHBondContact CB-OD1 3.37Å
173	V	93.7	Very high	86	Confident	21 Å²	21	52 Å²	52	13%	0.127	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113	169.5	-177.1	0	0	0	0	107.7	A225 Y226 N333 L334	V173-A225 HydrophobicContact CG1-CB 4.07Å; V173-Y226 HydrophobicContact CB-CD1 4.44Å; V173-Y226 HydrophobicContact CB-CE1 4.22Å; V173-Y226 HydrophobicContact CG1-CD1 3.98Å; V173-Y226 HydrophobicContact CG1-CD2 4.11Å; V173-Y226 HydrophobicContact CG1-CE1 3.85Å; V173-Y226 HydrophobicContact CG1-CE2 4Å; V173-Y226 HydrophobicContact CG1-CG 4.1Å; V173-Y226 WeakPolarHBondContact O-CE1 3.5Å; V173-Y226 PolarHBondContact O-OH 3.1Å; V173-N333 CarbonylContact O-C 3.5Å; V173-N333 WeakPolarHBondContact O-CA 3.12Å; V173-L334 HydrophobicContact CB-CB 4.34Å; V173-L334 PolarHBondContact N-O 3.44Å; V173-L334 PolarHBondContact O-N 2.76Å
174	S	93.6	Very high	86.7	Confident	74 Å²	74	48.7 Å²	48.7	52%	0.517	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.7	-168.6	62	0	0	0	0	114.6	Y226 V332	S174-Y226 WeakPolarHBondContact CA-OH 3.44Å; S174-V332 CarbonylContact C-O 3.59Å; S174-V332 VanDerWaalsContact CA-O 3.22Å; S174-V332 WeakPolarHBondContact CA-O 3.5Å
175	S	94.6	Very high	87.7	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.9	166.8	-64.3	0	0	0	0	109.2	D182 W184 Y226 N331 V332	S175-D182 WeakPolarHBondContact CA-OD2 3.48Å; S175-D182 VanDerWaalsContact CB-OD2 3.28Å; S175-D182 WeakPolarHBondContact CB-OD2 3.47Å; S175-W184 PolarHBondContact OG-NE1 3.17Å; S175-Y226 PolarHBondContact N-OH 3.18Å; S175-Y226 PolarHBondContact OG-OH 2.85Å; S175-N331 WeakPolarHBondContact O-CA 3.27Å; S175-V332 PolarHBondContact N-O 3.01Å; S175-V332 PolarHBondContact O-N 2.95Å
176	T	88.4	Confident	88.6	Confident	59 Å²	59	46.4 Å²	46.4	36%	0.362	31%	0.309	S	S	.	.			trans	-121.1	0.8	-179.6	59.2	0	0	0	0	112.2	S178 D182	T176-S178 PolarHBondContact O-N 3.32Å; T176-D182 PolarHBondContact N-OD2 3.22Å
177	F	91.8	Very high	89.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	28%	0.276	C	S	.	.			trans	49.4	33.7	176.1	-49	-65	0	0	0	113	G180 P181 D182 W184 W201 L208 D330 V332	F177-G180 VanDerWaalsContact CA-O 3.24Å; F177-G180 WeakPolarHBondContact CA-O 3.49Å; F177-G180 WeakPolarHBondContact CB-O 3.49Å; F177-P181 WeakPolarHBondContact CE1-O 3.42Å; F177-D182 HydrophobicContact CD1-CB 3.89Å; F177-D182 HydrophobicContact CE1-CB 3.86Å; F177-D182 PolarHBondContact N-OD2 2.73Å; F177-W184 AromaticContact CE1-CD1 3.5Å; F177-W184 HydrophobicContact CE1-CG 4Å; F177-W184 AromaticContact CE1-NE1 3.91Å; F177-W184 AromaticContact CZ-CD1 3.85Å; F177-W184 HydrophobicContact CZ-CD2 4.43Å; F177-W184 HydrophobicContact CZ-CG 4.19Å; F177-W184 AromaticContact CZ-NE1 3.86Å; F177-W201 PolarHBondContact O-NE1 2.88Å; F177-L208 HydrophobicContact CD1-CD1 3.96Å; F177-L208 HydrophobicContact CD1-CD2 4.2Å; F177-L208 HydrophobicContact CD1-CG 3.84Å; F177-L208 HydrophobicContact CD2-CG 4.4Å; F177-L208 HydrophobicContact CE1-CD1 3.39Å; F177-L208 HydrophobicContact CE1-CD2 4.43Å; F177-L208 HydrophobicContact CE1-CG 3.79Å; F177-L208 HydrophobicContact CE2-CD1 4.27Å; F177-L208 HydrophobicContact CE2-CG 4.36Å; F177-L208 HydrophobicContact CG-CG 4.14Å; F177-L208 HydrophobicContact CZ-CD1 3.56Å; F177-L208 HydrophobicContact CZ-CG 4.06Å; F177-D330 HydrophobicContact CD2-CB 4.42Å; F177-V332 HydrophobicContact CE2-CG2 4.22Å; F177-V332 HydrophobicContact CZ-CG2 4.24Å
178	S	86.4	Confident	89.5	Confident	62 Å²	62	39.1 Å²	39.1	43%	0.434	25%	0.252	S	S	.	.	S	Bend	trans	-77.5	-27.7	-170.7	58.1	0	0	0	0	112.7	T176 Q206	T176-S178 PolarHBondContact O-N 3.32Å; S178-Q206 PolarHBondContact O-NE2 2.87Å
179	S	82.6	Confident	88.8	Confident	101 Å²	101	42 Å²	42	71%	0.706	27%	0.271	S	S	*	.	S	Bend	trans	-125.6	-5.6	-179.4	54	0	0	0	0	114.5
180	G	87.2	Confident	87.9	Confident	9 Å²	9	49.4 Å²	49.4	9%	0.093	31%	0.305	C	S	.	.	S	Bend	trans	173.9	-161.8	-178.4	0	0	0	0	0	113.1	F177 D182 W201	F177-G180 VanDerWaalsContact CA-O 3.24Å; F177-G180 WeakPolarHBondContact CA-O 3.49Å; F177-G180 WeakPolarHBondContact CB-O 3.49Å; G180-D182 VanDerWaalsContact C-N 3.25Å; G180-D182 PolarHBondContact O-N 3.14Å; G180-W201 VanDerWaalsContact O-CD1 3.23Å; G180-W201 PolarHBondContact O-NE1 3.33Å
181	P	87.6	Confident	87.2	Confident	56 Å²	56	55.4 Å²	55.4	36%	0.364	32%	0.322	S	S	.	.			trans	-82.2	7.7	179.4	34.4	-36.4	0	0	0	114.6	F177 G183 W184 F199 W201 L208	F177-P181 WeakPolarHBondContact CE1-O 3.42Å; P181-G183 PolarHBondContact O-N 2.6Å; P181-W184 WeakPolarHBondContact O-CB 3.37Å; P181-W184 PolarHBondContact O-N 3.06Å; P181-F199 HydrophobicContact CB-CZ 4.27Å; P181-W201 HydrophobicContact CB-CB 4.49Å; P181-L208 HydrophobicContact CB-CD2 3.8Å
182	D	89	Confident	86.4	Confident	50 Å²	50	56.3 Å²	56.3	27%	0.267	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	30.8	179.7	-57.7	-2.6	0	0	0	114.9	S175 T176 F177 G180 P223	S175-D182 WeakPolarHBondContact CA-OD2 3.48Å; S175-D182 VanDerWaalsContact CB-OD2 3.28Å; S175-D182 WeakPolarHBondContact CB-OD2 3.47Å; T176-D182 PolarHBondContact N-OD2 3.22Å; F177-D182 HydrophobicContact CD1-CB 3.89Å; F177-D182 HydrophobicContact CE1-CB 3.86Å; F177-D182 PolarHBondContact N-OD2 2.73Å; G180-D182 VanDerWaalsContact C-N 3.25Å; G180-D182 PolarHBondContact O-N 3.14Å; D182-P223 WeakPolarHBondContact O-CG 3.35Å
183	G	89.6	Confident	85.6	Confident	50 Å²	50	56.2 Å²	56.2	52%	0.515	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	2.3	-179.5	0	0	0	0	0	116.2	P181	P181-G183 PolarHBondContact O-N 2.6Å
184	W	94.7	Very high	84.6	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.019	34%	0.337	C	S	.	.			trans	-74.1	139.6	179.8	-72.1	70.1	0	0	0	112.4	S175 F177 P181 F199 L208 L220 Y221 A222 Y226 I317 L329 V332	S175-W184 PolarHBondContact OG-NE1 3.17Å; F177-W184 AromaticContact CE1-CD1 3.5Å; F177-W184 HydrophobicContact CE1-CG 4Å; F177-W184 AromaticContact CE1-NE1 3.91Å; F177-W184 AromaticContact CZ-CD1 3.85Å; F177-W184 HydrophobicContact CZ-CD2 4.43Å; F177-W184 HydrophobicContact CZ-CG 4.19Å; F177-W184 AromaticContact CZ-NE1 3.86Å; P181-W184 WeakPolarHBondContact O-CB 3.37Å; P181-W184 PolarHBondContact O-N 3.06Å; W184-F199 WeakPolarHBondContact O-CZ 3.41Å; W184-L208 HydrophobicContact CB-CD1 3.71Å; W184-L208 HydrophobicContact CG-CD1 4.13Å; W184-L220 HydrophobicContact CE3-CB 4.06Å; W184-L220 HydrophobicContact CZ3-CB 4.42Å; W184-Y221 VanDerWaalsContact CE3-O 3.23Å; W184-A222 HydrophobicContact CE3-CB 4.34Å; W184-A222 HydrophobicContact CH2-CB 3.47Å; W184-A222 VanDerWaalsContact CH2-CB 3.47Å; W184-A222 HydrophobicContact CZ2-CB 3.77Å; W184-A222 HydrophobicContact CZ3-CB 3.79Å; W184-Y226 HydrophobicContact CZ2-CD2 4.28Å; W184-Y226 AromaticContact CZ2-CE2 3.91Å; W184-Y226 HydrophobicContact CZ2-CE2 3.91Å; W184-I317 HydrophobicContact CH2-CD1 3.82Å; W184-I317 HydrophobicContact CZ3-CD1 3.98Å; W184-I317 HydrophobicContact CZ3-CG1 4.46Å; W184-L329 HydrophobicContact CE3-CD2 4.1Å; W184-L329 HydrophobicContact CH2-CD2 4.47Å; W184-L329 HydrophobicContact CZ3-CD2 4.02Å; W184-V332 HydrophobicContact CH2-CB 4.4Å; W184-V332 HydrophobicContact CH2-CG1 3.85Å; W184-V332 HydrophobicContact CH2-CG2 4.11Å; W184-V332 HydrophobicContact CZ2-CB 3.89Å; W184-V332 HydrophobicContact CZ2-CG1 3.62Å; W184-V332 HydrophobicContact CZ2-CG2 3.83Å
185	T	92.8	Very high	83.7	Confident	82 Å²	82	62.9 Å²	62.9	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	163.4	-179.9	58.9	0	0	0	0	111.8	L220 Y221	T185-L220 CarbonylContact O-C 3.44Å; T185-L220 VanDerWaalsContact O-CA 3.31Å; T185-L220 WeakPolarHBondContact O-CA 3.48Å; T185-Y221 PolarHBondContact N-O 3.14Å; T185-Y221 PolarHBondContact O-N 2.68Å
186	V	90.8	Very high	82.9	Confident	17 Å²	17	65.6 Å²	65.6	10%	0.103	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.3	178.8	72.5	0	0	0	0	110.5	T193 V197 F199 V210 T218 Y219 L220	V186-T193 HydrophobicContact CG1-CG2 4.03Å; V186-T193 PolarHBondContact O-OG1 3.49Å; V186-V197 HydrophobicContact CG1-CG1 4.25Å; V186-V197 HydrophobicContact CG2-CG1 3.95Å; V186-F199 HydrophobicContact CB-CB 4.13Å; V186-F199 HydrophobicContact CB-CD2 4.39Å; V186-F199 HydrophobicContact CB-CG 4.16Å; V186-F199 HydrophobicContact CG1-CB 3.56Å; V186-F199 HydrophobicContact CG1-CD1 4.2Å; V186-F199 HydrophobicContact CG1-CG 3.93Å; V186-V210 HydrophobicContact CG2-CG1 3.96Å; V186-V210 HydrophobicContact CG2-CG2 4.27Å; V186-T218 HydrophobicContact CG2-CG2 3.46Å; V186-T218 VanDerWaalsContact CG2-CG2 3.46Å; V186-Y219 WeakPolarHBondContact CA-O 3.35Å; V186-L220 HydrophobicContact CB-CD2 4.21Å; V186-L220 HydrophobicContact CG2-CD2 4.44Å
187	A	87.8	Confident	82.7	Confident	9 Å²	9	63.7 Å²	63.7	7%	0.074	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	170.1	171.6	0	0	0	0	0	112.2	Y219 Y221	A187-Y219 PolarHBondContact N-O 3.23Å; A187-Y219 PolarHBondContact O-N 3.3Å; A187-Y221 HydrophobicContact CB-CD2 4.27Å; A187-Y221 HydrophobicContact CB-CE2 3.81Å
188	T	83	Confident	82.4	Confident	10 Å²	10	67.6 Å²	67.6	6%	0.061	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-179.9	166.4	69	0	0	0	0	111.3	Q190 R191 T192 P194 Y221	T188-Q190 PolarHBondContact O-N 3.38Å; T188-Q190 PolarHBondContact OG1-N 2.96Å; T188-R191 PolarHBondContact O-N 3.02Å; T188-T192 WeakPolarHBondContact CG2-O 3.48Å; T188-T192 PolarHBondContact N-O 2.91Å; T188-T192 PolarHBondContact OG1-O 3.43Å; T188-T192 VanDerWaalsContact OG1-O 3.05Å; T188-T192 PolarHBondContact OG1-OG1 3.49Å; T188-T192 VanDerWaalsContact OG1-OG1 3.05Å; T188-P194 HydrophobicContact CG2-CG 3.87Å; T188-Y221 PolarHBondContact O-OH 3.31Å
189	V	70.8	Confident	82.7	Confident	78 Å²	78	67.4 Å²	67.4	47%	0.473	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30	171.7	-175.9	0	0	0	0	112.2	R191 P217 Y219	V189-R191 VanDerWaalsContact C-N 3.28Å; V189-R191 PolarHBondContact O-N 3.35Å; V189-P217 HydrophobicContact CG2-CG 4.47Å; V189-Y219 HydrophobicContact CG2-CD2 4.17Å; V189-Y219 HydrophobicContact CG2-CE2 3.5Å; V189-Y219 VanDerWaalsContact CG2-CE2 3.5Å
190	Q	71.4	Confident	83	Confident	158 Å²	158	68.2 Å²	68.2	74%	0.738	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	14.6	-177.4	-66.2	165.8	-57.8	0	0	113.1	T188 T192	T188-Q190 PolarHBondContact O-N 3.38Å; T188-Q190 PolarHBondContact OG1-N 2.96Å; Q190-T192 PolarHBondContact O-N 3.28Å
191	R	73.4	Confident	83.3	Confident	176 Å²	176	71.5 Å²	71.5	66%	0.664	37%	0.37	S	S	*	.	S	Bend	trans	59	-3.9	-172.3	-67.3	-173.1	176.9	-124.9	2.7	116.1	T188 V189	T188-R191 PolarHBondContact O-N 3.02Å; V189-R191 VanDerWaalsContact C-N 3.28Å; V189-R191 PolarHBondContact O-N 3.35Å
192	T	73.4	Confident	83.2	Confident	80 Å²	80	69.9 Å²	69.9	49%	0.491	36%	0.36	S	S	.	.			trans	-76	149.3	172.1	57.1	0	0	0	0	111.9	T188 Q190	T188-T192 WeakPolarHBondContact CG2-O 3.48Å; T188-T192 PolarHBondContact N-O 2.91Å; T188-T192 PolarHBondContact OG1-O 3.43Å; T188-T192 VanDerWaalsContact OG1-O 3.05Å; T188-T192 PolarHBondContact OG1-OG1 3.49Å; T188-T192 VanDerWaalsContact OG1-OG1 3.05Å; Q190-T192 PolarHBondContact O-N 3.28Å
193	T	75.3	Confident	83	Confident	78 Å²	78	71.9 Å²	71.9	48%	0.479	38%	0.376	S	S	.	.			trans	-120.3	98.6	177.5	-58.5	0	0	0	0	109.8	V186	V186-T193 HydrophobicContact CG1-CG2 4.03Å; V186-T193 PolarHBondContact O-OG1 3.49Å
194	P	73.8	Confident	82.7	Confident	29 Å²	29	77.9 Å²	77.9	19%	0.188	39%	0.388	C	S	.	.			trans	-61.9	145.9	-179.2	-23.3	32.2	0	0	0	112.6	T188 D196 V197	T188-P194 HydrophobicContact CG2-CG 3.87Å; P194-D196 PolarHBondContact O-N 2.85Å; P194-V197 HydrophobicContact CB-CG2 4.28Å; P194-V197 HydrophobicContact CG-CG2 4.35Å; P194-V197 WeakPolarHBondContact O-CB 3.44Å; P194-V197 PolarHBondContact O-N 2.79Å
195	Q	72.6	Confident	82.1	Confident	207 Å²	207	82.5 Å²	82.5	97%	0.967	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-18.8	179.6	-64.9	-177.7	-7.5	0	0	114.1	V197	Q195-V197 VanDerWaalsContact C-N 3.29Å
196	D	77.8	Confident	82	Confident	62 Å²	62	82.9 Å²	82.9	33%	0.332	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6.3	172.8	-74.3	-57.9	0	0	0	114.7	P194 K213 Q214	P194-D196 PolarHBondContact O-N 2.85Å; D196-K213 HydrophobicContact CB-CB 4.47Å; D196-K213 IonicContact OD1-NZ 2.73Å; D196-K213 PolarHBondContact OD1-NZ 3.29Å; D196-K213 VanDerWaalsContact OD1-NZ 3.11Å; D196-Q214 HydrophobicContact CB-CG 4.04Å; D196-Q214 PolarHBondContact OD2-NE2 3.38Å
197	V	84.4	Confident	81.9	Confident	18 Å²	18	82.6 Å²	82.6	11%	0.109	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	113.8	179	177.8	0	0	0	0	109.6	V186 P194 Q195 V210 I211 T218	V186-V197 HydrophobicContact CG1-CG1 4.25Å; V186-V197 HydrophobicContact CG2-CG1 3.95Å; P194-V197 HydrophobicContact CB-CG2 4.28Å; P194-V197 HydrophobicContact CG-CG2 4.35Å; P194-V197 WeakPolarHBondContact O-CB 3.44Å; P194-V197 PolarHBondContact O-N 2.79Å; Q195-V197 VanDerWaalsContact C-N 3.29Å; V197-V210 HydrophobicContact CG1-CG1 4.25Å; V197-I211 WeakPolarHBondContact CA-O 3.32Å; V197-T218 HydrophobicContact CG1-CG2 3.86Å; V197-T218 HydrophobicContact CG2-CG2 4.2Å
198	L	86.1	Confident	82.2	Confident	82 Å²	82	82.1 Å²	82.1	43%	0.429	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.6	175.3	177.2	58	0	0	0	110	I211	L198-I211 HydrophobicContact CB-CB 4.36Å; L198-I211 HydrophobicContact CD2-CD1 4.29Å; L198-I211 PolarHBondContact N-O 3.45Å; L198-I211 PolarHBondContact O-N 2.89Å
199	F	92.2	Very high	82.6	Confident	59 Å²	59	82.4 Å²	82.4	26%	0.259	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.8	174.2	165.5	-114.8	0	0	0	110.3	P181 W184 V186 L208 E209 V210 L220	P181-F199 HydrophobicContact CB-CZ 4.27Å; W184-F199 WeakPolarHBondContact O-CZ 3.41Å; V186-F199 HydrophobicContact CB-CB 4.13Å; V186-F199 HydrophobicContact CB-CD2 4.39Å; V186-F199 HydrophobicContact CB-CG 4.16Å; V186-F199 HydrophobicContact CG1-CB 3.56Å; V186-F199 HydrophobicContact CG1-CD1 4.2Å; V186-F199 HydrophobicContact CG1-CG 3.93Å; F199-L208 HydrophobicContact CE2-CB 4.18Å; F199-L208 HydrophobicContact CE2-CD1 4.08Å; F199-L208 HydrophobicContact CE2-CD2 3.72Å; F199-L208 HydrophobicContact CE2-CG 4.22Å; F199-L208 HydrophobicContact CZ-CD1 4.41Å; F199-L208 HydrophobicContact CZ-CD2 3.9Å; F199-E209 WeakPolarHBondContact CA-O 3.47Å; F199-V210 HydrophobicContact CD2-CG2 3.95Å; F199-L220 HydrophobicContact CD2-CD2 4.04Å; F199-L220 HydrophobicContact CE2-CD2 3.68Å; F199-L220 HydrophobicContact CZ-CD2 4.5Å
200	R	90.4	Very high	83.6	Confident	117 Å²	117	78.7 Å²	78.7	44%	0.442	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.4	171.8	59.9	-178.1	149.9	-144.2	-11.4	112.7	E209	R200-E209 HydrophobicContact CG-CB 4.11Å; R200-E209 IonicContact CZ-OE2 3.75Å; R200-E209 PolarHBondContact N-O 2.79Å; R200-E209 IonicContact NE-OE2 2.73Å; R200-E209 PolarHBondContact NE-OE2 3.19Å; R200-E209 IonicContact NH2-OE2 3.76Å; R200-E209 PolarHBondContact NH2-OE2 3.21Å; R200-E209 PolarHBondContact O-N 2.93Å
201	W	92.8	Very high	84.4	Confident	78 Å²	78	72.5 Å²	72.5	30%	0.295	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	148	164.3	172.1	67.5	0	0	0	111.2	F177 G180 P181 P203 L208	F177-W201 PolarHBondContact O-NE1 2.88Å; G180-W201 VanDerWaalsContact O-CD1 3.23Å; G180-W201 PolarHBondContact O-NE1 3.33Å; P181-W201 HydrophobicContact CB-CB 4.49Å; W201-P203 HydrophobicContact CD2-CG 4.47Å; W201-P203 HydrophobicContact CE3-CG 3.85Å; W201-P203 HydrophobicContact CH2-CB 3.78Å; W201-P203 HydrophobicContact CH2-CG 3.94Å; W201-P203 HydrophobicContact CZ2-CB 4.2Å; W201-P203 HydrophobicContact CZ3-CB 3.97Å; W201-P203 HydrophobicContact CZ3-CG 3.57Å; W201-L208 HydrophobicContact CB-CD2 4.18Å
202	S	86.1	Confident	85	Confident	23 Å²	23	64.1 Å²	64.1	16%	0.161	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	96.3	-176.6	-177.4	0	0	0	0	111.2	K204 H205 Q206 D207	S202-K204 PolarHBondContact O-N 3.43Å; S202-H205 PolarHBondContact O-N 3.25Å; S202-H205 VanDerWaalsContact O-N 3.12Å; S202-Q206 WeakPolarHBondContact O-CA 3.4Å; S202-Q206 PolarHBondContact O-N 2.9Å; S202-D207 WeakPolarHBondContact CB-O 3.29Å; S202-D207 WeakPolarHBondContact CB-OD1 3.27Å; S202-D207 PolarHBondContact N-O 3.24Å; S202-D207 PolarHBondContact OG-OD1 3.21Å
203	P	83.7	Confident	85.2	Confident	91 Å²	91	66.3 Å²	66.3	59%	0.591	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.2	-177.8	-17.6	23.5	0	0	0	113.8	W201	W201-P203 HydrophobicContact CD2-CG 4.47Å; W201-P203 HydrophobicContact CE3-CG 3.85Å; W201-P203 HydrophobicContact CH2-CB 3.78Å; W201-P203 HydrophobicContact CH2-CG 3.94Å; W201-P203 HydrophobicContact CZ2-CB 4.2Å; W201-P203 HydrophobicContact CZ3-CB 3.97Å; W201-P203 HydrophobicContact CZ3-CG 3.57Å
204	K	82.9	Confident	85.2	Confident	176 Å²	176	65.4 Å²	65.4	77%	0.765	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-28.2	-177.7	-179.3	-179	173.7	-170.9	0	113.5	S202	S202-K204 PolarHBondContact O-N 3.43Å
205	H	83.6	Confident	85.1	Confident	102 Å²	102	67.3 Å²	67.3	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-9.9	-173.4	-66.3	-67.2	0	0	0	113.4	S202 D207	S202-H205 PolarHBondContact O-N 3.25Å; S202-H205 VanDerWaalsContact O-N 3.12Å; H205-D207 VanDerWaalsContact CB-OD1 3.29Å; H205-D207 WeakPolarHBondContact CB-OD1 3.36Å; H205-D207 PolarHBondContact O-N 2.84Å
206	Q	89.5	Confident	85.4	Confident	90 Å²	90	62 Å²	62	42%	0.421	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	43.2	-175.1	-64.6	174.4	-42.9	0	0	110.7	S178 S202	S178-Q206 PolarHBondContact O-NE2 2.87Å; S202-Q206 WeakPolarHBondContact O-CA 3.4Å; S202-Q206 PolarHBondContact O-N 2.9Å
207	D	89.8	Confident	85.5	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.059	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.5	175.8	61.5	10.5	0	0	0	112.2	S202 H205 R243 L329 D330	S202-D207 WeakPolarHBondContact CB-O 3.29Å; S202-D207 WeakPolarHBondContact CB-OD1 3.27Å; S202-D207 PolarHBondContact N-O 3.24Å; S202-D207 PolarHBondContact OG-OD1 3.21Å; H205-D207 VanDerWaalsContact CB-OD1 3.29Å; H205-D207 WeakPolarHBondContact CB-OD1 3.36Å; H205-D207 PolarHBondContact O-N 2.84Å; D207-R243 IonicContact OD2-CZ 3.11Å; D207-R243 IonicContact OD2-NE 3.76Å; D207-R243 IonicContact OD2-NH2 2.75Å; D207-R243 PolarHBondContact OD2-NH2 3.25Å; D207-L329 WeakPolarHBondContact CA-O 3.14Å; D207-D330 HydrophobicContact CB-CB 4.09Å
208	L	92.9	Very high	85.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	109.1	172.8	-71.6	-178.8	0	0	0	109.7	F177 P181 W184 F199 W201 L220 Y328 L329	F177-L208 HydrophobicContact CD1-CD1 3.96Å; F177-L208 HydrophobicContact CD1-CD2 4.2Å; F177-L208 HydrophobicContact CD1-CG 3.84Å; F177-L208 HydrophobicContact CD2-CG 4.4Å; F177-L208 HydrophobicContact CE1-CD1 3.39Å; F177-L208 HydrophobicContact CE1-CD2 4.43Å; F177-L208 HydrophobicContact CE1-CG 3.79Å; F177-L208 HydrophobicContact CE2-CD1 4.27Å; F177-L208 HydrophobicContact CE2-CG 4.36Å; F177-L208 HydrophobicContact CG-CG 4.14Å; F177-L208 HydrophobicContact CZ-CD1 3.56Å; F177-L208 HydrophobicContact CZ-CG 4.06Å; P181-L208 HydrophobicContact CB-CD2 3.8Å; W184-L208 HydrophobicContact CB-CD1 3.71Å; W184-L208 HydrophobicContact CG-CD1 4.13Å; F199-L208 HydrophobicContact CE2-CB 4.18Å; F199-L208 HydrophobicContact CE2-CD1 4.08Å; F199-L208 HydrophobicContact CE2-CD2 3.72Å; F199-L208 HydrophobicContact CE2-CG 4.22Å; F199-L208 HydrophobicContact CZ-CD1 4.41Å; F199-L208 HydrophobicContact CZ-CD2 3.9Å; W201-L208 HydrophobicContact CB-CD2 4.18Å; L208-L220 HydrophobicContact CD1-CD2 4.49Å; L208-Y328 VanDerWaalsContact O-CA 3.24Å; L208-Y328 WeakPolarHBondContact O-CA 3.36Å; L208-L329 HydrophobicContact CB-CB 4.39Å; L208-L329 PolarHBondContact N-O 3.33Å; L208-L329 PolarHBondContact O-N 3.28Å; L208-L329 VanDerWaalsContact O-N 3.09Å
209	E	91.9	Very high	86	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.6	173.9	-174.5	-179.4	-108.1	0	0	110.4	F199 R200 I211 R326 Y328	F199-E209 WeakPolarHBondContact CA-O 3.47Å; R200-E209 HydrophobicContact CG-CB 4.11Å; R200-E209 IonicContact CZ-OE2 3.75Å; R200-E209 PolarHBondContact N-O 2.79Å; R200-E209 IonicContact NE-OE2 2.73Å; R200-E209 PolarHBondContact NE-OE2 3.19Å; R200-E209 IonicContact NH2-OE2 3.76Å; R200-E209 PolarHBondContact NH2-OE2 3.21Å; R200-E209 PolarHBondContact O-N 2.93Å; E209-I211 HydrophobicContact CG-CD1 4.34Å; E209-I211 HydrophobicContact CG-CG1 4.16Å; E209-I211 WeakPolarHBondContact OE2-CD1 3.11Å; E209-R326 HydrophobicContact CG-CG 4.21Å; E209-R326 WeakPolarHBondContact OE1-CD 3.43Å; E209-R326 IonicContact OE1-CZ 2.64Å; E209-R326 IonicContact OE1-NE 2.71Å; E209-R326 IonicContact OE1-NH1 2.79Å; E209-R326 PolarHBondContact OE1-NH1 2.99Å; E209-R326 IonicContact OE2-NH1 3.92Å; E209-Y328 HydrophobicContact CB-CD1 3.7Å; E209-Y328 HydrophobicContact CB-CE1 3.57Å; E209-Y328 HydrophobicContact CG-CD1 3.93Å; E209-Y328 HydrophobicContact CG-CE1 3.42Å; E209-Y328 VanDerWaalsContact CG-CE1 3.42Å; E209-Y328 WeakPolarHBondContact OE1-CE1 3.11Å; E209-Y328 PolarHBondContact OE1-OH 2.93Å
210	V	92.1	Very high	86.1	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.5	166.9	-175.7	0	0	0	0	109.1	V186 V197 F199 T218 L220 A319 T320 R326 G327	V186-V210 HydrophobicContact CG2-CG1 3.96Å; V186-V210 HydrophobicContact CG2-CG2 4.27Å; V197-V210 HydrophobicContact CG1-CG1 4.25Å; F199-V210 HydrophobicContact CD2-CG2 3.95Å; V210-T218 HydrophobicContact CG1-CG2 4.42Å; V210-L220 HydrophobicContact CG2-CD1 3.94Å; V210-L220 HydrophobicContact CG2-CD2 3.72Å; V210-L220 HydrophobicContact CG2-CG 3.9Å; V210-A319 HydrophobicContact CB-CB 3.75Å; V210-A319 HydrophobicContact CG1-CB 4.1Å; V210-A319 HydrophobicContact CG2-CB 3.76Å; V210-T320 HydrophobicContact CB-CG2 4.33Å; V210-T320 HydrophobicContact CG1-CG2 3.65Å; V210-R326 VanDerWaalsContact O-CA 3.32Å; V210-R326 WeakPolarHBondContact O-CA 3.4Å; V210-R326 WeakPolarHBondContact O-CG 3.29Å; V210-G327 PolarHBondContact N-O 3.17Å; V210-G327 PolarHBondContact O-N 3.18Å; V210-G327 VanDerWaalsContact O-N 3.07Å
211	I	87.9	Confident	86.3	Confident	27 Å²	27	49.4 Å²	49.4	14%	0.138	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	173	-59.6	162	0	0	0	108.2	V197 L198 E209 R326	V197-I211 WeakPolarHBondContact CA-O 3.32Å; L198-I211 HydrophobicContact CB-CB 4.36Å; L198-I211 HydrophobicContact CD2-CD1 4.29Å; L198-I211 PolarHBondContact N-O 3.45Å; L198-I211 PolarHBondContact O-N 2.89Å; E209-I211 HydrophobicContact CG-CD1 4.34Å; E209-I211 HydrophobicContact CG-CG1 4.16Å; E209-I211 WeakPolarHBondContact OE2-CD1 3.11Å; I211-R326 HydrophobicContact CG1-CB 4.31Å; I211-R326 HydrophobicContact CG1-CG 3.72Å
212	S	85.5	Confident	86.4	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.1	165.2	175.3	0	0	0	0	109.5	Q214 D324 G325	S212-Q214 PolarHBondContact OG-N 3.38Å; S212-Q214 VanDerWaalsContact OG-N 3.09Å; S212-Q214 PolarHBondContact OG-O 2.83Å; S212-D324 CarbonylContact O-C 3.55Å; S212-D324 VanDerWaalsContact O-C 3.32Å; S212-D324 VanDerWaalsContact O-CA 3.23Å; S212-D324 WeakPolarHBondContact O-CA 3.35Å; S212-D324 PolarHBondContact O-N 3.23Å; S212-G325 PolarHBondContact N-O 3.31Å; S212-G325 PolarHBondContact O-N 2.89Å
213	K	78.2	Confident	86.9	Confident	126 Å²	126	46.2 Å²	46.2	55%	0.548	24%	0.236	S	C	.	.	S	Bend	trans	-74.5	-33.7	165.5	-60.9	-179.8	-160.8	147.9	0	111.7	D196	D196-K213 HydrophobicContact CB-CB 4.47Å; D196-K213 IonicContact OD1-NZ 2.73Å; D196-K213 PolarHBondContact OD1-NZ 3.29Å; D196-K213 VanDerWaalsContact OD1-NZ 3.11Å
214	Q	75.9	Confident	87.1	Confident	59 Å²	59	48.2 Å²	48.2	28%	0.276	24%	0.242	S	C	.	.	S	Bend	trans	-72.2	146.9	-175.4	-56.6	-178.5	0.8	0	0	111.1	D196 S212 L216	D196-Q214 HydrophobicContact CB-CG 4.04Å; D196-Q214 PolarHBondContact OD2-NE2 3.38Å; S212-Q214 PolarHBondContact OG-N 3.38Å; S212-Q214 VanDerWaalsContact OG-N 3.09Å; S212-Q214 PolarHBondContact OG-O 2.83Å; Q214-L216 PolarHBondContact O-N 3.06Å
215	S	71.8	Confident	87.6	Confident	68 Å²	68	42.7 Å²	42.7	48%	0.476	23%	0.229	S	C	.	.	S	Bend	trans	-69.9	-15.6	-180	57.5	0	0	0	0	114.5
216	L	77.6	Confident	88.1	Confident	97 Å²	97	38 Å²	38	51%	0.508	21%	0.207	S	C	.	.	S	Bend	trans	-69.7	146.5	-178.3	-66.1	175.1	0	0	0	112.6	Q214 T218	Q214-L216 PolarHBondContact O-N 3.06Å; L216-T218 PolarHBondContact O-N 2.91Å
217	P	80.9	Confident	88.3	Confident	37 Å²	37	35 Å²	35	24%	0.24	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-76	119.8	-178.3	31.1	-34.8	0	0	0	112.1	V189 Y219 R318	V189-P217 HydrophobicContact CG2-CG 4.47Å; P217-Y219 HydrophobicContact CB-CE2 3.81Å; P217-Y219 HydrophobicContact CG-CE2 4.08Å; P217-Y219 WeakPolarHBondContact O-CE2 3.31Å; P217-R318 HydrophobicContact CB-CG 4.45Å
218	T	88.5	Confident	88.4	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140	171.7	-29.7	0	0	0	0	110.3	V186 V197 V210 L216 A319 T320	V186-T218 HydrophobicContact CG2-CG2 3.46Å; V186-T218 VanDerWaalsContact CG2-CG2 3.46Å; V197-T218 HydrophobicContact CG1-CG2 3.86Å; V197-T218 HydrophobicContact CG2-CG2 4.2Å; V210-T218 HydrophobicContact CG1-CG2 4.42Å; L216-T218 PolarHBondContact O-N 2.91Å; T218-A319 PolarHBondContact O-N 2.96Å; T218-T320 WeakPolarHBondContact CB-OG1 3.42Å; T218-T320 PolarHBondContact N-OG1 2.82Å; T218-T320 PolarHBondContact OG1-OG1 3.5Å
219	Y	92.3	Very high	88.3	Confident	11 Å²	11	40.3 Å²	40.3	4%	0.043	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.7	-179.3	-62.8	-101.3	0	0	0	111.1	V186 A187 V189 P217 S254 V257 K316 I317 R318	V186-Y219 WeakPolarHBondContact CA-O 3.35Å; A187-Y219 PolarHBondContact N-O 3.23Å; A187-Y219 PolarHBondContact O-N 3.3Å; V189-Y219 HydrophobicContact CG2-CD2 4.17Å; V189-Y219 HydrophobicContact CG2-CE2 3.5Å; V189-Y219 VanDerWaalsContact CG2-CE2 3.5Å; P217-Y219 HydrophobicContact CB-CE2 3.81Å; P217-Y219 HydrophobicContact CG-CE2 4.08Å; P217-Y219 WeakPolarHBondContact O-CE2 3.31Å; Y219-S254 WeakPolarHBondContact CE1-O 3.42Å; Y219-S254 PolarHBondContact OH-O 3.23Å; Y219-V257 HydrophobicContact CE1-CG2 4.17Å; Y219-K316 HydrophobicContact CD1-CB 3.92Å; Y219-K316 HydrophobicContact CG-CB 4.35Å; Y219-I317 WeakPolarHBondContact CA-O 3.44Å; Y219-R318 HydrophobicContact CD1-CB 3.85Å; Y219-R318 HydrophobicContact CE1-CB 3.69Å; Y219-R318 HydrophobicContact CE1-CG 4.21Å
220	L	93.9	Very high	88.3	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.2	163	-72.3	166.4	0	0	0	108.6	W184 T185 V186 F199 L208 V210 K316 I317 A319 L329	W184-L220 HydrophobicContact CE3-CB 4.06Å; W184-L220 HydrophobicContact CZ3-CB 4.42Å; T185-L220 CarbonylContact O-C 3.44Å; T185-L220 VanDerWaalsContact O-CA 3.31Å; T185-L220 WeakPolarHBondContact O-CA 3.48Å; V186-L220 HydrophobicContact CB-CD2 4.21Å; V186-L220 HydrophobicContact CG2-CD2 4.44Å; F199-L220 HydrophobicContact CD2-CD2 4.04Å; F199-L220 HydrophobicContact CE2-CD2 3.68Å; F199-L220 HydrophobicContact CZ-CD2 4.5Å; L208-L220 HydrophobicContact CD1-CD2 4.49Å; V210-L220 HydrophobicContact CG2-CD1 3.94Å; V210-L220 HydrophobicContact CG2-CD2 3.72Å; V210-L220 HydrophobicContact CG2-CG 3.9Å; L220-K316 WeakPolarHBondContact O-CA 3.49Å; L220-I317 PolarHBondContact N-O 2.86Å; L220-I317 PolarHBondContact O-N 3.34Å; L220-A319 HydrophobicContact CD1-CB 4.05Å; L220-A319 HydrophobicContact CG-CB 4.13Å; L220-L329 HydrophobicContact CB-CD2 4.27Å; L220-L329 HydrophobicContact CD1-CB 3.68Å; L220-L329 HydrophobicContact CD1-CD2 3.61Å; L220-L329 HydrophobicContact CD1-CG 4.28Å
221	Y	94.8	Very high	88.2	Confident	20 Å²	20	41.5 Å²	41.5	8%	0.078	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.8	-179.1	-76.8	-118.1	0	0	0	109.2	W184 T185 A187 T188 K316	W184-Y221 VanDerWaalsContact CE3-O 3.23Å; T185-Y221 PolarHBondContact N-O 3.14Å; T185-Y221 PolarHBondContact O-N 2.68Å; A187-Y221 HydrophobicContact CB-CD2 4.27Å; A187-Y221 HydrophobicContact CB-CE2 3.81Å; T188-Y221 PolarHBondContact O-OH 3.31Å; Y221-K316 HydrophobicContact CD1-CG 4.15Å; Y221-K316 HydrophobicContact CE1-CD 3.87Å; Y221-K316 VanDerWaalsContact CE1-CE 3.49Å; Y221-K316 HydrophobicContact CE1-CG 3.99Å; Y221-K316 HydrophobicContact CE2-CD 4.38Å; Y221-K316 HydrophobicContact CE2-CG 4.47Å; Y221-K316 HydrophobicContact CG-CG 4.49Å
222	A	94.9	Very high	88.2	Confident	9 Å²	9	42.1 Å²	42.1	7%	0.074	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-76.4	143.2	179.1	0	0	0	0	0	111.8	W184 Y226 I315	W184-A222 HydrophobicContact CE3-CB 4.34Å; W184-A222 HydrophobicContact CH2-CB 3.47Å; W184-A222 VanDerWaalsContact CH2-CB 3.47Å; W184-A222 HydrophobicContact CZ2-CB 3.77Å; W184-A222 HydrophobicContact CZ3-CB 3.79Å; A222-Y226 HydrophobicContact CB-CD2 4.08Å; A222-Y226 HydrophobicContact CB-CG 4.06Å; A222-I315 HydrophobicContact CB-CB 3.89Å; A222-I315 PolarHBondContact N-O 2.98Å
223	P	95.3	Very high	88.6	Confident	26 Å²	26	42.1 Å²	42.1	17%	0.169	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-73.3	167.3	176.5	32.5	-38.6	0	0	0	112.6	D182 A225 Y226	D182-P223 WeakPolarHBondContact O-CG 3.35Å; P223-A225 PolarHBondContact O-N 2.97Å; P223-Y226 HydrophobicContact CG-CD2 3.97Å; P223-Y226 HydrophobicContact CG-CE2 4.32Å; P223-Y226 WeakPolarHBondContact O-CB 3.35Å; P223-Y226 PolarHBondContact O-N 3.11Å
224	D	89.7	Confident	89.1	Confident	132 Å²	132	37 Å²	37	71%	0.706	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-56.6	-25.3	-171.6	-54.4	-57.8	0	0	0	115.1	Y226 L227	D224-Y226 PolarHBondContact O-N 2.89Å; D224-L227 PolarHBondContact O-N 3.11Å
225	A	92.2	Very high	89.7	Confident	60 Å²	60	34.2 Å²	34.2	50%	0.496	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-50.9	-31.7	169.8	0	0	0	0	0	112.7	V173 P223 K230	V173-A225 HydrophobicContact CG1-CB 4.07Å; P223-A225 PolarHBondContact O-N 2.97Å; A225-K230 WeakPolarHBondContact O-CE 3.46Å; A225-K230 PolarHBondContact O-NZ 2.91Å
226	Y	94.6	Very high	90.6	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.012	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-91.1	-10	175.9	-70.2	-89	0	0	0	114.7	V173 S174 S175 W184 A222 P223 D224 K230 V332 L334	V173-Y226 HydrophobicContact CB-CD1 4.44Å; V173-Y226 HydrophobicContact CB-CE1 4.22Å; V173-Y226 HydrophobicContact CG1-CD1 3.98Å; V173-Y226 HydrophobicContact CG1-CD2 4.11Å; V173-Y226 HydrophobicContact CG1-CE1 3.85Å; V173-Y226 HydrophobicContact CG1-CE2 4Å; V173-Y226 HydrophobicContact CG1-CG 4.1Å; V173-Y226 WeakPolarHBondContact O-CE1 3.5Å; V173-Y226 PolarHBondContact O-OH 3.1Å; S174-Y226 WeakPolarHBondContact CA-OH 3.44Å; S175-Y226 PolarHBondContact N-OH 3.18Å; S175-Y226 PolarHBondContact OG-OH 2.85Å; W184-Y226 HydrophobicContact CZ2-CD2 4.28Å; W184-Y226 AromaticContact CZ2-CE2 3.91Å; W184-Y226 HydrophobicContact CZ2-CE2 3.91Å; A222-Y226 HydrophobicContact CB-CD2 4.08Å; A222-Y226 HydrophobicContact CB-CG 4.06Å; P223-Y226 HydrophobicContact CG-CD2 3.97Å; P223-Y226 HydrophobicContact CG-CE2 4.32Å; P223-Y226 WeakPolarHBondContact O-CB 3.35Å; P223-Y226 PolarHBondContact O-N 3.11Å; D224-Y226 PolarHBondContact O-N 2.89Å; Y226-K230 WeakPolarHBondContact O-CE 3.47Å; Y226-K230 WeakPolarHBondContact O-CG 3.43Å; Y226-V332 HydrophobicContact CE1-CG1 4.09Å; Y226-V332 PolarHBondContact OH-O 3.38Å; Y226-L334 HydrophobicContact CD1-CB 3.78Å; Y226-L334 HydrophobicContact CD1-CD2 3.94Å; Y226-L334 HydrophobicContact CE1-CB 3.74Å
227	L	94.3	Very high	91.4	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.141	18%	0.179	C	C	.	.	S	Bend	trans	-106.1	-175.4	-168.9	-54.4	-175.5	0	0	0	112.9	D224 K230 L312 I315	D224-L227 PolarHBondContact O-N 3.11Å; L227-K230 PolarHBondContact O-NZ 3.4Å; L227-L312 CarbonylContact C-O 3.51Å; L227-L312 WeakPolarHBondContact CA-O 3.41Å; L227-L312 WeakPolarHBondContact CB-O 3.38Å; L227-I315 HydrophobicContact CD2-CG1 4.15Å
228	G	91.9	Very high	92	Very high	30 Å²	30	29.1 Å²	29.1	31%	0.309	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	71.2	-142	-177.4	0	0	0	0	0	112.6	K230 L312	G228-K230 PolarHBondContact O-N 3.46Å; G228-K230 VanDerWaalsContact O-N 3.11Å; G228-L312 PolarHBondContact N-O 3.14Å; G228-L312 WeakPolarHBondContact O-CB 3.45Å; G228-L312 PolarHBondContact O-N 3.08Å
229	N	90.1	Very high	92.3	Very high	93 Å²	93	30 Å²	30	50%	0.497	17%	0.174	S	C	.	.			trans	-77.8	100.1	-177.9	-170	-7.9	0	0	0	112	L231 Q310	N229-L231 WeakPolarHBondContact OD1-CB 3.35Å; N229-L231 PolarHBondContact OD1-N 2.97Å; N229-L231 VanDerWaalsContact OD1-N 3.17Å; N229-Q310 VanDerWaalsContact CA-O 3.24Å; N229-Q310 WeakPolarHBondContact CA-O 3.13Å; N229-Q310 WeakPolarHBondContact CB-O 3.25Å
230	K	93.1	Very high	92.4	Very high	28 Å²	28	29.5 Å²	29.5	12%	0.122	17%	0.172	C	C	.	.			trans	-113.5	23.8	175.4	-65.8	-59.2	-166.1	-78.3	0	112.6	A225 Y226 L227 G228 L232 S233 L309 L312 L334	A225-K230 WeakPolarHBondContact O-CE 3.46Å; A225-K230 PolarHBondContact O-NZ 2.91Å; Y226-K230 WeakPolarHBondContact O-CE 3.47Å; Y226-K230 WeakPolarHBondContact O-CG 3.43Å; L227-K230 PolarHBondContact O-NZ 3.4Å; G228-K230 PolarHBondContact O-N 3.46Å; G228-K230 VanDerWaalsContact O-N 3.11Å; K230-L232 PolarHBondContact O-N 2.71Å; K230-L232 VanDerWaalsContact O-N 3.15Å; K230-S233 VanDerWaalsContact O-CB 3.26Å; K230-S233 WeakPolarHBondContact O-CB 3.41Å; K230-S233 PolarHBondContact O-N 3.21Å; K230-L309 CarbonylContact C-O 3.57Å; K230-L309 WeakPolarHBondContact CA-O 3.44Å; K230-L309 PolarHBondContact N-O 3.23Å; K230-L312 HydrophobicContact CB-CD2 4.27Å; K230-L312 HydrophobicContact CG-CD2 4.29Å; K230-L334 HydrophobicContact CD-CD2 4.13Å; K230-L334 HydrophobicContact CG-CD2 4.27Å
231	L	88.8	Confident	92.3	Very high	13 Å²	13	30.1 Å²	30.1	7%	0.068	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-49.9	-38.7	176.4	175.5	68	0	0	0	113.6	F154 N229 S233 Y234 Q306 L309	F154-L231 HydrophobicContact CB-CD1 4.27Å; F154-L231 HydrophobicContact CD1-CD1 3.42Å; F154-L231 VanDerWaalsContact CD1-CD1 3.42Å; F154-L231 HydrophobicContact CD1-CD2 3.42Å; F154-L231 VanDerWaalsContact CD1-CD2 3.42Å; F154-L231 HydrophobicContact CD1-CG 3.96Å; F154-L231 HydrophobicContact CD2-CD1 4.19Å; F154-L231 HydrophobicContact CE1-CD1 3.56Å; F154-L231 HydrophobicContact CE1-CD2 3.37Å; F154-L231 HydrophobicContact CE1-CG 4.08Å; F154-L231 HydrophobicContact CE2-CD1 4.32Å; F154-L231 HydrophobicContact CG-CD1 3.69Å; F154-L231 HydrophobicContact CG-CD2 4.47Å; F154-L231 HydrophobicContact CZ-CD1 4.01Å; F154-L231 HydrophobicContact CZ-CD2 4.43Å; N229-L231 WeakPolarHBondContact OD1-CB 3.35Å; N229-L231 PolarHBondContact OD1-N 2.97Å; N229-L231 VanDerWaalsContact OD1-N 3.17Å; L231-S233 PolarHBondContact O-N 3.23Å; L231-S233 VanDerWaalsContact O-N 3.15Å; L231-Y234 WeakPolarHBondContact O-CB 3.24Å; L231-Y234 PolarHBondContact O-N 3.04Å; L231-Q306 HydrophobicContact CD1-CB 4.14Å; L231-L309 PolarHBondContact N-O 3.4Å
232	L	89.1	Confident	92.1	Very high	41 Å²	41	29.3 Å²	29.3	22%	0.215	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-70.3	-5.9	179.7	-60.1	179.9	0	0	0	114.1	F168 K230 A337 W347 V348 F361	F168-L232 HydrophobicContact CD1-CD1 4.26Å; F168-L232 HydrophobicContact CE1-CD1 3.92Å; K230-L232 PolarHBondContact O-N 2.71Å; K230-L232 VanDerWaalsContact O-N 3.15Å; L232-A337 HydrophobicContact CB-CB 4.21Å; L232-A337 HydrophobicContact CD1-CB 4.44Å; L232-A337 WeakPolarHBondContact CD1-O 3.46Å; L232-W347 PolarHBondContact O-NE1 3.41Å; L232-V348 HydrophobicContact CD2-CG1 4.12Å; L232-V348 HydrophobicContact CD2-CG2 4.25Å; L232-F361 HydrophobicContact CD2-CZ 3.92Å
233	S	92.2	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-89.2	-1.8	166.9	-65.4	0	0	0	0	113.6	K230 L231 G235 Q236 V335 S336	K230-S233 VanDerWaalsContact O-CB 3.26Å; K230-S233 WeakPolarHBondContact O-CB 3.41Å; K230-S233 PolarHBondContact O-N 3.21Å; L231-S233 PolarHBondContact O-N 3.23Å; L231-S233 VanDerWaalsContact O-N 3.15Å; S233-G235 PolarHBondContact O-N 3.07Å; S233-Q236 VanDerWaalsContact O-CB 3.24Å; S233-Q236 WeakPolarHBondContact O-CB 3.37Å; S233-Q236 PolarHBondContact O-N 3.35Å; S233-V335 WeakPolarHBondContact CA-O 3.47Å; S233-V335 WeakPolarHBondContact CB-O 3.4Å; S233-V335 PolarHBondContact OG-O 2.89Å; S233-S336 WeakPolarHBondContact OG-CA 3.31Å; S233-S336 WeakPolarHBondContact OG-CB 3.37Å; S233-S336 PolarHBondContact OG-OG 3.18Å
234	Y	90.3	Very high	91.3	Very high	18 Å²	18	30.1 Å²	30.1	7%	0.071	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	136	175.1	175.4	-103.6	0	0	0	111.5	L151 P152 L231 Q236 L288 D289 E290 S302 F305 Q306 L309	L151-Y234 HydrophobicContact CB-CE1 4.41Å; L151-Y234 HydrophobicContact CD2-CD1 4.38Å; L151-Y234 HydrophobicContact CD2-CE1 3.66Å; P152-Y234 WeakPolarHBondContact CD-OH 3.42Å; L231-Y234 WeakPolarHBondContact O-CB 3.24Å; L231-Y234 PolarHBondContact O-N 3.04Å; Y234-Q236 PolarHBondContact O-N 3.15Å; Y234-Q236 VanDerWaalsContact O-N 3.14Å; Y234-Q236 PolarHBondContact O-NE2 2.91Å; Y234-L288 VanDerWaalsContact CD2-O 3.27Å; Y234-L288 WeakPolarHBondContact CD2-O 3.39Å; Y234-D289 HydrophobicContact CE2-CB 3.79Å; Y234-E290 WeakPolarHBondContact CE2-OE2 3.32Å; Y234-E290 PolarHBondContact OH-OE1 3.4Å; Y234-E290 PolarHBondContact OH-OE2 2.97Å; Y234-S302 PolarHBondContact OH-OG 2.86Å; Y234-F305 HydrophobicContact CD2-CD1 4.35Å; Y234-Q306 HydrophobicContact CD1-CG 4.09Å; Y234-Q306 HydrophobicContact CD2-CG 3.51Å; Y234-Q306 HydrophobicContact CE1-CG 4.25Å; Y234-Q306 HydrophobicContact CE2-CG 3.69Å; Y234-Q306 HydrophobicContact CG-CG 3.73Å; Y234-L309 HydrophobicContact CD2-CD1 4.14Å
235	G	87.2	Confident	90.8	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	-0.3	-173.3	0	0	0	0	0	115.1	S233 R287 L288	S233-G235 PolarHBondContact O-N 3.07Å; G235-R287 VanDerWaalsContact O-CZ 3.26Å; G235-R287 PolarHBondContact O-NE 2.79Å; G235-R287 PolarHBondContact O-NH2 3.3Å; G235-L288 PolarHBondContact N-O 3.14Å
236	Q	92.1	Very high	89.7	Confident	29 Å²	29	30.8 Å²	30.8	14%	0.136	16%	0.157	C	C	.	.	S	Bend	trans	-95.4	-174.2	177.2	-51	-47	-55.8	0	0	111.6	S233 Y234 R287 L288 V335 W347	S233-Q236 VanDerWaalsContact O-CB 3.24Å; S233-Q236 WeakPolarHBondContact O-CB 3.37Å; S233-Q236 PolarHBondContact O-N 3.35Å; Y234-Q236 PolarHBondContact O-N 3.15Å; Y234-Q236 VanDerWaalsContact O-N 3.14Å; Y234-Q236 PolarHBondContact O-NE2 2.91Å; Q236-R287 CarbonylContact O-C 3.46Å; Q236-R287 WeakPolarHBondContact O-CA 3.33Å; Q236-L288 PolarHBondContact O-N 3.42Å; Q236-V335 HydrophobicContact CB-CB 4.01Å; Q236-V335 HydrophobicContact CB-CG1 4.08Å; Q236-V335 HydrophobicContact CG-CG1 4.27Å; Q236-W347 VanDerWaalsContact CD-CE2 3.4Å; Q236-W347 HydrophobicContact CG-CD2 4.31Å; Q236-W347 HydrophobicContact CG-CZ2 3.87Å
237	N	92.5	Very high	88.1	Confident	65 Å²	65	32.5 Å²	32.5	35%	0.348	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.4	-174.5	-69	-19.8	0	0	0	112.3	T285 F286 V335	N237-T285 HydrophobicContact CB-CG2 3.82Å; N237-F286 WeakPolarHBondContact CA-O 3.38Å; N237-V335 PolarHBondContact O-N 3.16Å
238	L	95.1	Very high	86.6	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.8	154.9	173.7	64.4	0	0	0	107.7	L258 F286 L288 I315 V332 L334	L238-L258 HydrophobicContact CD2-CD2 4.42Å; L238-F286 PolarHBondContact N-O 3.06Å; L238-F286 PolarHBondContact O-N 3.23Å; L238-L288 HydrophobicContact CB-CD1 4.35Å; L238-L288 HydrophobicContact CB-CD2 4.21Å; L238-L288 HydrophobicContact CB-CG 4.37Å; L238-I315 HydrophobicContact CD2-CD1 4.47Å; L238-I315 HydrophobicContact CD2-CG2 4.02Å; L238-V332 HydrophobicContact CD1-CG1 4.4Å; L238-L334 HydrophobicContact CB-CD1 4.31Å; L238-L334 HydrophobicContact CD1-CB 4.14Å; L238-L334 HydrophobicContact CD1-CD1 4.46Å
239	S	94.4	Very high	84.6	Confident	22 Å²	22	40.2 Å²	40.2	15%	0.154	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.2	-179.4	57	0	0	0	0	112	Y284 V332 N333	S239-Y284 CarbonylContact C-O 3.5Å; S239-Y284 WeakPolarHBondContact CA-O 3.21Å; S239-V332 CarbonylContact O-C 3.48Å; S239-V332 WeakPolarHBondContact O-CA 3.37Å; S239-N333 PolarHBondContact N-O 2.98Å; S239-N333 PolarHBondContact O-N 2.85Å; S239-N333 PolarHBondContact OG-O 2.94Å
240	F	94.9	Very high	82.9	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	156	174.9	58.3	-92.1	0	0	0	112	L242 V256 L269 S283 Y284 F286 I317 L329 N331 V332	F240-L242 HydrophobicContact CD2-CB 4.28Å; F240-L242 HydrophobicContact CE2-CB 4.2Å; F240-V256 HydrophobicContact CE1-CG2 3.91Å; F240-V256 HydrophobicContact CZ-CG2 3.59Å; F240-L269 HydrophobicContact CE2-CD2 3.82Å; F240-L269 HydrophobicContact CZ-CD2 3.65Å; F240-S283 WeakPolarHBondContact O-CA 3.48Å; F240-Y284 HydrophobicContact CD2-CD2 4.39Å; F240-Y284 AromaticContact CE2-CD2 3.98Å; F240-Y284 HydrophobicContact CE2-CD2 3.98Å; F240-Y284 HydrophobicContact CE2-CG 4.28Å; F240-Y284 PolarHBondContact N-O 2.85Å; F240-Y284 PolarHBondContact O-N 3.28Å; F240-F286 AromaticContact CE1-CD2 3.94Å; F240-F286 HydrophobicContact CE1-CD2 3.94Å; F240-F286 AromaticContact CE1-CE2 3.66Å; F240-F286 HydrophobicContact CE1-CE2 3.66Å; F240-F286 AromaticContact CZ-CE2 3.78Å; F240-F286 HydrophobicContact CZ-CE2 3.78Å; F240-I317 HydrophobicContact CB-CD1 4.47Å; F240-I317 HydrophobicContact CD1-CD1 3.69Å; F240-I317 HydrophobicContact CD1-CG1 4.47Å; F240-I317 HydrophobicContact CD2-CD1 4.37Å; F240-I317 HydrophobicContact CD2-CG2 4.21Å; F240-I317 HydrophobicContact CE1-CD1 3.92Å; F240-I317 HydrophobicContact CE1-CG1 4.2Å; F240-I317 HydrophobicContact CE1-CG2 4.35Å; F240-I317 HydrophobicContact CE2-CG2 3.68Å; F240-I317 HydrophobicContact CG-CD1 3.93Å; F240-I317 HydrophobicContact CZ-CD1 4.36Å; F240-I317 HydrophobicContact CZ-CG1 4.43Å; F240-I317 HydrophobicContact CZ-CG2 3.75Å; F240-L329 HydrophobicContact CB-CD1 4.02Å; F240-L329 HydrophobicContact CD2-CD1 3.62Å; F240-L329 HydrophobicContact CE2-CD1 4.42Å; F240-L329 HydrophobicContact CG-CD1 4.06Å; F240-N331 WeakPolarHBondContact CA-O 3.47Å; F240-V332 HydrophobicContact CB-CB 4.27Å; F240-V332 HydrophobicContact CB-CG1 4.25Å; F240-V332 HydrophobicContact CB-CG2 3.91Å
241	S	91.3	Very high	81.1	Confident	15 Å²	15	42 Å²	42	11%	0.105	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127	170.8	-65.5	0	0	0	0	111.3	I282 D330	S241-I282 CarbonylContact C-O 3.59Å; S241-I282 VanDerWaalsContact CA-O 3.31Å; S241-I282 WeakPolarHBondContact CA-O 3.33Å; S241-D330 WeakPolarHBondContact CA-O 3.37Å; S241-D330 VanDerWaalsContact CB-O 3.32Å; S241-D330 WeakPolarHBondContact CB-O 3.31Å; S241-D330 PolarHBondContact N-O 2.78Å; S241-D330 PolarHBondContact O-N 3.07Å; S241-D330 VanDerWaalsContact O-O 3.13Å
242	L	90.3	Very high	80	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.9	172.3	-170.4	77.7	0	0	0	110.1	F240 L244 L269 I282 Y284 F321 Y328 L329	F240-L242 HydrophobicContact CD2-CB 4.28Å; F240-L242 HydrophobicContact CE2-CB 4.2Å; L242-L244 HydrophobicContact CD2-CD2 4.03Å; L242-L244 HydrophobicContact CD2-CG 4.39Å; L242-L244 HydrophobicContact CG-CD2 4.2Å; L242-L269 HydrophobicContact CD2-CD1 3.65Å; L242-I282 PolarHBondContact N-O 3.49Å; L242-I282 PolarHBondContact O-N 3.22Å; L242-Y284 HydrophobicContact CB-CD2 4.1Å; L242-Y284 HydrophobicContact CB-CE2 3.84Å; L242-F321 HydrophobicContact CD2-CE2 4.41Å; L242-Y328 CarbonylContact C-O 3.6Å; L242-Y328 WeakPolarHBondContact CA-O 3.36Å; L242-L329 HydrophobicContact CD1-CB 4.36Å; L242-L329 HydrophobicContact CD1-CD1 4.22Å
243	R	87.9	Confident	79	Confident	46 Å²	46	44.8 Å²	44.8	17%	0.174	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.4	171.9	171	174.3	62.9	86.4	-3.8	109	D207 D245 K281 G327 Y328	D207-R243 IonicContact OD2-CZ 3.11Å; D207-R243 IonicContact OD2-NE 3.76Å; D207-R243 IonicContact OD2-NH2 2.75Å; D207-R243 PolarHBondContact OD2-NH2 3.25Å; R243-D245 IonicContact NH1-OD1 3.16Å; R243-D245 PolarHBondContact NH1-OD1 3.08Å; R243-K281 HydrophobicContact CB-CB 4.34Å; R243-G327 CarbonylContact O-C 3.35Å; R243-G327 WeakPolarHBondContact O-CA 3.43Å; R243-Y328 HydrophobicContact CG-CD2 4.44Å; R243-Y328 VanDerWaalsContact CZ-CG 3.46Å; R243-Y328 PolarHBondContact N-O 3.12Å; R243-Y328 VanDerWaalsContact NH2-CE1 3.26Å; R243-Y328 PolarHBondContact O-N 2.77Å
244	L	85.4	Confident	78.6	Confident	6 Å²	6	46 Å²	46	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.1	177	-58.3	-178.4	0	0	0	110.5	L242 V248 V276 C278 G279 F321	L242-L244 HydrophobicContact CD2-CD2 4.03Å; L242-L244 HydrophobicContact CD2-CG 4.39Å; L242-L244 HydrophobicContact CG-CD2 4.2Å; L244-V248 HydrophobicContact CD1-CG2 3.78Å; L244-V276 HydrophobicContact CD1-CG1 3.99Å; L244-C278 CarbonylContact O-C 3.59Å; L244-C278 VanDerWaalsContact O-CA 3.22Å; L244-C278 WeakPolarHBondContact O-CA 3.34Å; L244-G279 PolarHBondContact O-N 3.08Å; L244-F321 HydrophobicContact CD1-CD2 3.74Å; L244-F321 HydrophobicContact CD1-CE2 3.92Å; L244-F321 HydrophobicContact CD1-CG 4.25Å; L244-F321 HydrophobicContact CD2-CD2 3.79Å; L244-F321 HydrophobicContact CD2-CE2 3.87Å; L244-F321 HydrophobicContact CG-CD2 4.45Å
245	D	78.8	Confident	78.5	Confident	67 Å²	67	45.1 Å²	45.1	36%	0.358	23%	0.228	S	C	.	.	S	Bend	trans	-85.7	-28.5	179.8	-80.5	5.5	0	0	0	113.2	R243 C278 R326 Y328	R243-D245 IonicContact NH1-OD1 3.16Å; R243-D245 PolarHBondContact NH1-OD1 3.08Å; D245-C278 WeakPolarHBondContact O-CB 3.27Å; D245-R326 HydrophobicContact CB-CB 4.43Å; D245-R326 PolarHBondContact N-O 3.07Å; D245-R326 WeakPolarHBondContact OD2-CD 3.43Å; D245-R326 IonicContact OD2-NE 3.23Å; D245-Y328 WeakPolarHBondContact OD1-CE2 3.45Å
246	R	69.6	Low	78.7	Confident	140 Å²	140	45.1 Å²	45.1	53%	0.528	23%	0.227	S	C	.	.	S	Bend	trans	-110.6	137.2	173.2	-68	-178.3	177	173.6	2.2	110.2	E323 D324	R246-E323 PolarHBondContact NH1-O 3.38Å; R246-D324 IonicContact CZ-OD2 3.16Å; R246-D324 IonicContact NH1-OD2 2.79Å; R246-D324 PolarHBondContact NH1-OD2 3.38Å; R246-D324 IonicContact NH2-OD2 2.68Å; R246-D324 PolarHBondContact NH2-OD2 3.03Å
247	G	60.7	Low	78.8	Confident	39 Å²	39	43.8 Å²	43.8	40%	0.402	22%	0.221	S	C	.	.			trans	-81.3	122.9	-176.7	0	0	0	0	0	112.1	V276	G247-V276 WeakPolarHBondContact CA-O 3.48Å
248	V	62.2	Low	79	Confident	21 Å²	21	40.7 Å²	40.7	13%	0.127	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-93.5	127.7	-169.9	-171.4	0	0	0	0	110.9	L244 V276 F321	L244-V248 HydrophobicContact CD1-CG2 3.78Å; V248-V276 PolarHBondContact O-N 2.88Å; V248-F321 HydrophobicContact CG1-CB 4.29Å; V248-F321 HydrophobicContact CG1-CD1 4.03Å; V248-F321 HydrophobicContact CG2-CB 3.47Å; V248-F321 VanDerWaalsContact CG2-CB 3.47Å; V248-F321 HydrophobicContact CG2-CD1 3.99Å; V248-F321 HydrophobicContact CG2-CG 3.76Å
249	R	51.8	Low	78.9	Confident	197 Å²	197	42.5 Å²	42.5	74%	0.743	21%	0.213	S	C	*	.	S	Bend	trans	-85.4	-19.6	177.4	-72.8	-172.9	178.3	-120.8	2.4	114.7	V275	R249-V275 HydrophobicContact CG-CG2 4.46Å
250	H	53.4	Low	78.7	Confident	151 Å²	151	41.5 Å²	41.5	70%	0.699	21%	0.207	S	C	*	.			trans	-136	93.1	-178.4	-53.2	115.4	0	0	0	110.3
251	P	56.5	Low	78	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.045	22%	0.215	C	C	.	.			trans	-56.9	145	162.9	-19.5	32.4	0	0	0	109.9	D255 A268 L272 V276	P251-D255 WeakPolarHBondContact CA-OD2 3.45Å; P251-D255 WeakPolarHBondContact CB-OD2 3.31Å; P251-A268 HydrophobicContact CB-CB 4.4Å; P251-L272 WeakPolarHBondContact O-CD2 3.38Å; P251-V276 HydrophobicContact CG-CG2 4.44Å
252	S	65.4	Low	77.7	Confident	40 Å²	40	45.7 Å²	45.7	28%	0.28	25%	0.252	S	S	.	.			trans	-79.8	155.5	174.3	-174	0	0	0	0	110.3	S254 D255 A268	S252-S254 PolarHBondContact O-N 2.91Å; S252-S254 VanDerWaalsContact O-N 3.09Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 VanDerWaalsContact OG-N 3.16Å; S252-D255 WeakPolarHBondContact CB-OD1 3.38Å; S252-D255 VanDerWaalsContact N-CG 3.3Å; S252-D255 PolarHBondContact N-OD1 2.64Å; S252-D255 PolarHBondContact N-OD2 3.19Å; S252-A268 VanDerWaalsContact O-CA 3.31Å; S252-A268 WeakPolarHBondContact O-CA 3.36Å; S252-A268 WeakPolarHBondContact O-CB 3.23Å
253	T	68.1	Low	77.7	Confident	74 Å²	74	47.4 Å²	47.4	45%	0.454	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	3.1	162.7	48.9	0	0	0	0	113
254	S	83.8	Confident	77.9	Confident	24 Å²	24	50.4 Å²	50.4	17%	0.168	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.1	53.2	175.6	-56.3	0	0	0	0	112.8	Y219 S252 A266	Y219-S254 WeakPolarHBondContact CE1-O 3.42Å; Y219-S254 PolarHBondContact OH-O 3.23Å; S252-S254 PolarHBondContact O-N 2.91Å; S252-S254 VanDerWaalsContact O-N 3.09Å; S252-S254 PolarHBondContact OG-N 3.36Å; S252-S254 VanDerWaalsContact OG-N 3.16Å; S254-A266 WeakPolarHBondContact OG-CB 3.35Å
255	D	87.3	Confident	78.3	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	-81.1	-28.2	173	-63.7	-35.7	0	0	0	112.4	P251 S252 A267 L269 R318 F321	P251-D255 WeakPolarHBondContact CA-OD2 3.45Å; P251-D255 WeakPolarHBondContact CB-OD2 3.31Å; S252-D255 WeakPolarHBondContact CB-OD1 3.38Å; S252-D255 VanDerWaalsContact N-CG 3.3Å; S252-D255 PolarHBondContact N-OD1 2.64Å; S252-D255 PolarHBondContact N-OD2 3.19Å; D255-A267 PolarHBondContact N-O 2.84Å; D255-L269 HydrophobicContact CB-CB 4.43Å; D255-L269 HydrophobicContact CB-CD1 4.01Å; D255-L269 HydrophobicContact CB-CG 3.73Å; D255-L269 PolarHBondContact OD2-N 2.78Å; D255-R318 HydrophobicContact CB-CB 4.3Å; D255-R318 WeakPolarHBondContact O-CB 3.47Å; D255-R318 PolarHBondContact O-N 2.95Å; D255-R318 VanDerWaalsContact OD1-CD 3.22Å; D255-R318 WeakPolarHBondContact OD1-CD 3.46Å; D255-R318 IonicContact OD1-CZ 2.73Å; D255-R318 IonicContact OD1-NE 3.85Å; D255-R318 IonicContact OD1-NH1 2.6Å; D255-R318 PolarHBondContact OD1-NH1 2.89Å; D255-F321 WeakPolarHBondContact OD1-CE1 3.29Å
256	V	92.2	Very high	78.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.2	167.7	-178	0	0	0	0	107.9	F240 A266 A267 L269 F286 W296 K316	F240-V256 HydrophobicContact CE1-CG2 3.91Å; F240-V256 HydrophobicContact CZ-CG2 3.59Å; V256-A266 CarbonylContact O-C 3.56Å; V256-A266 WeakPolarHBondContact O-CA 3.41Å; V256-A266 WeakPolarHBondContact O-CB 3.41Å; V256-A267 PolarHBondContact N-O 3.1Å; V256-A267 PolarHBondContact O-N 3.38Å; V256-L269 HydrophobicContact CG2-CD2 4.14Å; V256-F286 HydrophobicContact CB-CZ 4.46Å; V256-F286 HydrophobicContact CG2-CD2 4.43Å; V256-F286 HydrophobicContact CG2-CE2 3.72Å; V256-F286 HydrophobicContact CG2-CZ 3.78Å; V256-W296 HydrophobicContact CG1-CH2 3.99Å; V256-W296 HydrophobicContact CG1-CZ3 4.28Å; V256-K316 CarbonylContact C-O 3.28Å; V256-K316 WeakPolarHBondContact CA-O 3.38Å
257	V	93.4	Very high	79.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.4	-177.1	-167.4	0	0	0	0	110.2	Y219 E259 R264 V265 A266 K316	Y219-V257 HydrophobicContact CE1-CG2 4.17Å; V257-E259 HydrophobicContact CG1-CG 4.09Å; V257-E259 WeakPolarHBondContact CG1-OE1 3.23Å; V257-R264 HydrophobicContact CG1-CG 4.14Å; V257-V265 WeakPolarHBondContact CA-O 3.41Å; V257-A266 HydrophobicContact CB-CB 4.42Å; V257-A266 HydrophobicContact CG1-CB 4.28Å; V257-A266 HydrophobicContact CG2-CB 4.05Å; V257-K316 HydrophobicContact CB-CB 4.13Å; V257-K316 HydrophobicContact CB-CD 4.4Å; V257-K316 HydrophobicContact CB-CG 4.48Å; V257-K316 PolarHBondContact N-O 2.87Å; V257-K316 PolarHBondContact O-N 3.44Å
258	L	95.8	Very high	81	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.6	166.9	-52.2	175.3	0	0	0	108.6	L238 R264 V265 L288 W296 F305 L308 L312 A314 I315	L238-L258 HydrophobicContact CD2-CD2 4.42Å; L258-R264 WeakPolarHBondContact O-CA 3.41Å; L258-V265 HydrophobicContact CB-CG2 3.88Å; L258-V265 HydrophobicContact CD1-CG2 4.1Å; L258-V265 HydrophobicContact CG-CG2 4.31Å; L258-V265 PolarHBondContact N-O 3.01Å; L258-V265 PolarHBondContact O-N 3.18Å; L258-V265 VanDerWaalsContact O-O 3.12Å; L258-L288 HydrophobicContact CD1-CD2 3.79Å; L258-W296 HydrophobicContact CD1-CE3 4.44Å; L258-W296 HydrophobicContact CD1-CH2 3.54Å; L258-W296 HydrophobicContact CD1-CZ2 3.72Å; L258-W296 HydrophobicContact CD1-CZ3 3.92Å; L258-W296 HydrophobicContact CD2-CH2 4.31Å; L258-W296 HydrophobicContact CG-CH2 3.66Å; L258-W296 HydrophobicContact CG-CZ2 4.35Å; L258-W296 HydrophobicContact CG-CZ3 3.8Å; L258-F305 HydrophobicContact CD1-CZ 4.31Å; L258-L308 HydrophobicContact CB-CD2 3.96Å; L258-L308 HydrophobicContact CD1-CD2 4.3Å; L258-L312 HydrophobicContact CB-CD1 4.12Å; L258-A314 WeakPolarHBondContact CA-O 3.18Å; L258-I315 HydrophobicContact CD2-CB 4.2Å; L258-I315 HydrophobicContact CD2-CD1 4.23Å; L258-I315 HydrophobicContact CD2-CG1 3.77Å; L258-I315 HydrophobicContact CD2-CG2 3.91Å
259	E	93.9	Very high	81.9	Confident	38 Å²	38	39 Å²	39	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.6	175.6	-74	161.1	-157	0	0	108.3	V257 L263 R264 T313 A314 K316	V257-E259 HydrophobicContact CG1-CG 4.09Å; V257-E259 WeakPolarHBondContact CG1-OE1 3.23Å; E259-L263 WeakPolarHBondContact CA-O 3.47Å; E259-R264 HydrophobicContact CG-CB 4Å; E259-R264 HydrophobicContact CG-CG 3.58Å; E259-R264 WeakPolarHBondContact OE1-CD 3.36Å; E259-R264 IonicContact OE1-CZ 3.96Å; E259-R264 IonicContact OE1-NE 2.75Å; E259-R264 PolarHBondContact OE1-NE 2.98Å; E259-R264 IonicContact OE1-NH2 2.68Å; E259-T313 PolarHBondContact O-N 2.75Å; E259-T313 PolarHBondContact O-OG1 3.39Å; E259-A314 HydrophobicContact CB-CB 4.32Å; E259-A314 PolarHBondContact N-O 3.19Å; E259-A314 PolarHBondContact O-N 3.04Å; E259-K316 WeakPolarHBondContact OE1-CE 3.22Å; E259-K316 IonicContact OE1-NZ 3.2Å; E259-K316 PolarHBondContact OE1-NZ 3.47Å; E259-K316 VanDerWaalsContact OE2-CE 3.22Å; E259-K316 WeakPolarHBondContact OE2-CE 3.46Å; E259-K316 IonicContact OE2-NZ 3.66Å; E259-K316 PolarHBondContact OE2-NZ 3.37Å
260	G	89.8	Confident	82.7	Confident	2 Å²	2	30.3 Å²	30.3	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.6	149.1	-175.4	0	0	0	0	0	113.9	G262 L263 N311	G260-G262 PolarHBondContact O-N 3.01Å; G260-G262 VanDerWaalsContact O-N 3.12Å; G260-L263 PolarHBondContact N-O 3.42Å; G260-L263 WeakPolarHBondContact O-CA 3.47Å; G260-L263 WeakPolarHBondContact O-CB 3.15Å; G260-L263 PolarHBondContact O-N 2.89Å; G260-L263 VanDerWaalsContact O-O 3.13Å; G260-N311 CarbonylContact C-O 3.52Å; G260-N311 VanDerWaalsContact C-O 3.27Å; G260-N311 WeakPolarHBondContact CA-O 3.24Å
261	G	80.9	Confident	83	Confident	17 Å²	17	27.9 Å²	27.9	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	22.5	176.4	0	0	0	0	0	115.9	L263 K307 N311	G261-L263 VanDerWaalsContact C-N 3.32Å; G261-K307 VanDerWaalsContact O-CE 3.3Å; G261-K307 WeakPolarHBondContact O-CE 3.34Å; G261-N311 PolarHBondContact N-O 3.45Å
262	G	84.1	Confident	82.7	Confident	86 Å²	86	32.1 Å²	32.1	89%	0.887	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	7	-171.5	0	0	0	0	0	114.6	G260	G260-G262 PolarHBondContact O-N 3.01Å; G260-G262 VanDerWaalsContact O-N 3.12Å
263	L	90.7	Very high	81.8	Confident	38 Å²	38	42.1 Å²	42.1	20%	0.199	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	158.9	-176.5	-63.5	167.6	0	0	0	110.9	E259 G260 G261 L300 E304 K307 L308	E259-L263 WeakPolarHBondContact CA-O 3.47Å; G260-L263 PolarHBondContact N-O 3.42Å; G260-L263 WeakPolarHBondContact O-CA 3.47Å; G260-L263 WeakPolarHBondContact O-CB 3.15Å; G260-L263 PolarHBondContact O-N 2.89Å; G260-L263 VanDerWaalsContact O-O 3.13Å; G261-L263 VanDerWaalsContact C-N 3.32Å; L263-L300 HydrophobicContact CB-CD1 4.45Å; L263-L300 HydrophobicContact CD1-CD1 4.4Å; L263-L300 HydrophobicContact CD2-CD2 4.47Å; L263-E304 HydrophobicContact CD1-CB 3.8Å; L263-E304 HydrophobicContact CD1-CG 4.24Å; L263-E304 WeakPolarHBondContact CD1-O 3.37Å; L263-K307 HydrophobicContact CD1-CB 4.42Å; L263-K307 HydrophobicContact CD1-CD 4.26Å; L263-K307 HydrophobicContact CD1-CG 4.48Å; L263-L308 HydrophobicContact CB-CB 4.22Å; L263-L308 HydrophobicContact CB-CD1 3.95Å; L263-L308 HydrophobicContact CD1-CB 4.38Å
264	R	92.8	Very high	81.1	Confident	109 Å²	109	41 Å²	41	41%	0.411	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	128.8	-179.8	178.9	169.9	-172.8	-83.8	-1.8	110.9	V257 L258 E259 P298	V257-R264 HydrophobicContact CG1-CG 4.14Å; L258-R264 WeakPolarHBondContact O-CA 3.41Å; E259-R264 HydrophobicContact CG-CB 4Å; E259-R264 HydrophobicContact CG-CG 3.58Å; E259-R264 WeakPolarHBondContact OE1-CD 3.36Å; E259-R264 IonicContact OE1-CZ 3.96Å; E259-R264 IonicContact OE1-NE 2.75Å; E259-R264 PolarHBondContact OE1-NE 2.98Å; E259-R264 IonicContact OE1-NH2 2.68Å; R264-P298 WeakPolarHBondContact O-CD 3.42Å
265	V	93.5	Very high	79.8	Confident	1 Å²	1	44 Å²	44	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.2	170.6	-64.3	0	0	0	0	110.8	V257 L258 W296 K297 L300 F305 L308	V257-V265 WeakPolarHBondContact CA-O 3.41Å; L258-V265 HydrophobicContact CB-CG2 3.88Å; L258-V265 HydrophobicContact CD1-CG2 4.1Å; L258-V265 HydrophobicContact CG-CG2 4.31Å; L258-V265 PolarHBondContact N-O 3.01Å; L258-V265 PolarHBondContact O-N 3.18Å; L258-V265 VanDerWaalsContact O-O 3.12Å; V265-W296 HydrophobicContact CB-CB 4.27Å; V265-W296 HydrophobicContact CB-CE3 4.15Å; V265-W296 HydrophobicContact CG2-CD2 4.11Å; V265-W296 HydrophobicContact CG2-CE3 3.72Å; V265-W296 HydrophobicContact CG2-CG 4.46Å; V265-W296 HydrophobicContact CG2-CZ3 4.32Å; V265-K297 CarbonylContact C-O 3.58Å; V265-L300 HydrophobicContact CG1-CD1 3.42Å; V265-L300 VanDerWaalsContact CG1-CD1 3.42Å; V265-L300 HydrophobicContact CG1-CD2 4.46Å; V265-L300 HydrophobicContact CG1-CG 3.6Å; V265-F305 HydrophobicContact CG2-CE2 4.06Å; V265-F305 HydrophobicContact CG2-CZ 4.45Å; V265-L308 HydrophobicContact CG1-CD1 4.41Å; V265-L308 HydrophobicContact CG2-CD1 3.99Å
266	A	91.9	Very high	78.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.5	177.9	0	0	0	0	0	112.1	S254 V256 V257 W296 K297	S254-A266 WeakPolarHBondContact OG-CB 3.35Å; V256-A266 CarbonylContact O-C 3.56Å; V256-A266 WeakPolarHBondContact O-CA 3.41Å; V256-A266 WeakPolarHBondContact O-CB 3.41Å; V257-A266 HydrophobicContact CB-CB 4.42Å; V257-A266 HydrophobicContact CG1-CB 4.28Å; V257-A266 HydrophobicContact CG2-CB 4.05Å; A266-W296 CarbonylContact O-C 3.56Å; A266-K297 PolarHBondContact N-O 3.38Å; A266-K297 PolarHBondContact O-N 3.47Å
267	A	89.1	Confident	77.4	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.4	179.6	0	0	0	0	0	110.9	D255 V256 F286 W296	D255-A267 PolarHBondContact N-O 2.84Å; V256-A267 PolarHBondContact N-O 3.1Å; V256-A267 PolarHBondContact O-N 3.38Å; A267-F286 HydrophobicContact CB-CD1 3.77Å; A267-F286 HydrophobicContact CB-CE1 3.57Å; A267-W296 HydrophobicContact CB-CD2 4.22Å; A267-W296 HydrophobicContact CB-CE3 3.71Å; A267-W296 HydrophobicContact CB-CH2 4.41Å; A267-W296 HydrophobicContact CB-CZ3 3.82Å
268	A	85.7	Confident	76.4	Confident	16 Å²	16	50.9 Å²	50.9	13%	0.132	29%	0.293	C	S	.	.			trans	-90.3	145.8	172.2	0	0	0	0	0	110.2	P251 S252 G270	P251-A268 HydrophobicContact CB-CB 4.4Å; S252-A268 VanDerWaalsContact O-CA 3.31Å; S252-A268 WeakPolarHBondContact O-CA 3.36Å; S252-A268 WeakPolarHBondContact O-CB 3.23Å; A268-G270 WeakPolarHBondContact CB-O 3.45Å; A268-G270 PolarHBondContact O-N 3.38Å
269	L	80.9	Confident	75.2	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.068	32%	0.32	C	S	.	.	S	Bend	trans	-65	-27.4	175.7	-74.6	168.7	0	0	0	112.8	F240 L242 D255 V256 Y284 F286 F321	F240-L269 HydrophobicContact CE2-CD2 3.82Å; F240-L269 HydrophobicContact CZ-CD2 3.65Å; L242-L269 HydrophobicContact CD2-CD1 3.65Å; D255-L269 HydrophobicContact CB-CB 4.43Å; D255-L269 HydrophobicContact CB-CD1 4.01Å; D255-L269 HydrophobicContact CB-CG 3.73Å; D255-L269 PolarHBondContact OD2-N 2.78Å; V256-L269 HydrophobicContact CG2-CD2 4.14Å; L269-Y284 HydrophobicContact CB-CD1 4.19Å; L269-Y284 HydrophobicContact CB-CE1 3.78Å; L269-Y284 HydrophobicContact CD2-CD1 3.76Å; L269-Y284 HydrophobicContact CD2-CD2 4Å; L269-Y284 HydrophobicContact CD2-CE1 3.98Å; L269-Y284 HydrophobicContact CD2-CE2 4.21Å; L269-Y284 HydrophobicContact CD2-CG 3.77Å; L269-Y284 HydrophobicContact CG-CE1 4.42Å; L269-Y284 VanDerWaalsContact O-CD1 3.28Å; L269-Y284 WeakPolarHBondContact O-CD1 3.27Å; L269-Y284 WeakPolarHBondContact O-CE1 3.37Å; L269-F286 HydrophobicContact CD2-CE2 4.46Å; L269-F286 HydrophobicContact CD2-CZ 4.29Å; L269-F321 HydrophobicContact CD1-CE1 4.26Å; L269-F321 HydrophobicContact CD1-CE2 4.39Å; L269-F321 HydrophobicContact CD1-CZ 3.56Å
270	G	67.8	Low	74.6	Confident	16 Å²	16	58.5 Å²	58.5	17%	0.165	34%	0.341	C	S	.	.	S	Bend	trans	-144.9	170.5	178	0	0	0	0	0	111.9	A268	A268-G270 WeakPolarHBondContact CB-O 3.45Å; A268-G270 PolarHBondContact O-N 3.38Å
271	D	59.8	Low	74.3	Confident	99 Å²	99	63.7 Å²	63.7	53%	0.529	36%	0.363	S	S	.	.			trans	-65.7	140.6	169.8	-62.2	-44.3	0	0	0	109.5	R273 A274 K295	D271-R273 PolarHBondContact O-N 3.08Å; D271-A274 PolarHBondContact O-N 3.26Å; D271-K295 VanDerWaalsContact CG-NZ 3.31Å; D271-K295 IonicContact OD1-NZ 3.36Å; D271-K295 PolarHBondContact OD1-NZ 2.95Å; D271-K295 IonicContact OD2-NZ 2.82Å; D271-K295 PolarHBondContact OD2-NZ 2.79Å
272	L	50.4	Low	74.5	Confident	97 Å²	97	64.8 Å²	64.8	51%	0.508	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	8.4	-172	-64.7	168.1	0	0	0	115.8	P251	P251-L272 WeakPolarHBondContact O-CD2 3.38Å
273	R	45	Very low	74.7	Confident	250 Å²	250	64.6 Å²	64.6	94%	0.943	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-3.7	176.6	-63.2	-179.2	177.6	174.8	-1.1	113.1	D271	D271-R273 PolarHBondContact O-N 3.08Å
274	A	53.4	Low	74.7	Confident	49 Å²	49	63.9 Å²	63.9	41%	0.405	34%	0.344	S	S	.	.	S	Bend	trans	-101.4	126.3	180	0	0	0	0	0	110.5	D271	D271-A274 PolarHBondContact O-N 3.26Å
275	V	58.3	Low	74.6	Confident	89 Å²	89	62.6 Å²	62.6	54%	0.539	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-73.7	129	173.4	178.5	0	0	0	0	108.9	R249 P277	R249-V275 HydrophobicContact CG-CG2 4.46Å; V275-P277 VanDerWaalsContact O-CD 3.31Å; V275-P277 WeakPolarHBondContact O-CD 3.4Å
276	V	64.5	Low	74.5	Confident	11 Å²	11	63 Å²	63	7%	0.067	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-72.6	116.6	172.4	-180	0	0	0	0	108.6	L244 G247 V248 P251 C278 I282 Y284	L244-V276 HydrophobicContact CD1-CG1 3.99Å; G247-V276 WeakPolarHBondContact CA-O 3.48Å; V248-V276 PolarHBondContact O-N 2.88Å; P251-V276 HydrophobicContact CG-CG2 4.44Å; V276-C278 PolarHBondContact O-N 2.8Å; V276-I282 HydrophobicContact CG1-CD1 3.84Å; V276-Y284 WeakPolarHBondContact CG1-OH 3.22Å
277	P	64.5	Low	74.4	Confident	68 Å²	68	67.9 Å²	67.9	44%	0.442	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-74.4	124.7	-174	27.3	-32.1	0	0	0	111.9	V275 I282	V275-P277 VanDerWaalsContact O-CD 3.31Å; V275-P277 WeakPolarHBondContact O-CD 3.4Å; P277-I282 HydrophobicContact CG-CD1 3.81Å
278	C	71.6	Confident	74.6	Confident	66 Å²	66	68 Å²	68	45%	0.446	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	159	178.8	52.7	0	0	0	0	113.9	L244 D245 V276 K280	L244-C278 CarbonylContact O-C 3.59Å; L244-C278 VanDerWaalsContact O-CA 3.22Å; L244-C278 WeakPolarHBondContact O-CA 3.34Å; D245-C278 WeakPolarHBondContact O-CB 3.27Å; V276-C278 PolarHBondContact O-N 2.8Å; C278-K280 PolarHBondContact O-N 2.81Å; C278-K280 VanDerWaalsContact O-N 3.1Å
279	G	70.9	Confident	74.8	Confident	57 Å²	57	67.2 Å²	67.2	59%	0.588	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	-0.9	176.3	0	0	0	0	0	115	L244	L244-G279 PolarHBondContact O-N 3.08Å
280	K	80.3	Confident	75	Confident	142 Å²	142	68.2 Å²	68.2	62%	0.617	37%	0.367	S	S	*	.	S	Bend	trans	-112.6	143.2	175.7	-66.8	-172.7	178.5	-176.4	0	110.5	C278	C278-K280 PolarHBondContact O-N 2.81Å; C278-K280 VanDerWaalsContact O-N 3.1Å
281	K	83.6	Confident	75.8	Confident	112 Å²	112	71 Å²	71	49%	0.487	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	122.2	169.6	-174.2	176.2	179.8	179.5	0	108.2	R243 D330	R243-K281 HydrophobicContact CB-CB 4.34Å; K281-D330 WeakPolarHBondContact CE-OD2 3.22Å; K281-D330 IonicContact NZ-OD2 3.26Å; K281-D330 PolarHBondContact NZ-OD2 3.05Å
282	I	85.8	Confident	76.5	Confident	40 Å²	40	71.2 Å²	71.2	21%	0.205	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.5	-174.9	-56	161.9	0	0	0	107.3	S241 L242 V276 P277 Y284	S241-I282 CarbonylContact C-O 3.59Å; S241-I282 VanDerWaalsContact CA-O 3.31Å; S241-I282 WeakPolarHBondContact CA-O 3.33Å; L242-I282 PolarHBondContact N-O 3.49Å; L242-I282 PolarHBondContact O-N 3.22Å; V276-I282 HydrophobicContact CG1-CD1 3.84Å; P277-I282 HydrophobicContact CG-CD1 3.81Å; I282-Y284 HydrophobicContact CB-CD2 4.42Å; I282-Y284 HydrophobicContact CB-CE2 3.63Å; I282-Y284 WeakPolarHBondContact CD1-OH 3.11Å; I282-Y284 HydrophobicContact CG2-CD2 4.23Å; I282-Y284 HydrophobicContact CG2-CE1 4.01Å; I282-Y284 HydrophobicContact CG2-CE2 3.64Å; I282-Y284 WeakPolarHBondContact O-CD2 3.42Å; I282-Y284 WeakPolarHBondContact O-CE2 3.43Å
283	S	88.9	Confident	77.8	Confident	81 Å²	81	70.6 Å²	70.6	57%	0.566	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.2	172.2	-169.6	0	0	0	0	109.8	F240	F240-S283 WeakPolarHBondContact O-CA 3.48Å
284	Y	89.6	Confident	79.4	Confident	23 Å²	23	59.1 Å²	59.1	9%	0.09	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.6	176.1	-62.8	-87	0	0	0	109	S239 F240 L242 L269 V276 I282	S239-Y284 CarbonylContact C-O 3.5Å; S239-Y284 WeakPolarHBondContact CA-O 3.21Å; F240-Y284 HydrophobicContact CD2-CD2 4.39Å; F240-Y284 AromaticContact CE2-CD2 3.98Å; F240-Y284 HydrophobicContact CE2-CD2 3.98Å; F240-Y284 HydrophobicContact CE2-CG 4.28Å; F240-Y284 PolarHBondContact N-O 2.85Å; F240-Y284 PolarHBondContact O-N 3.28Å; L242-Y284 HydrophobicContact CB-CD2 4.1Å; L242-Y284 HydrophobicContact CB-CE2 3.84Å; L269-Y284 HydrophobicContact CB-CD1 4.19Å; L269-Y284 HydrophobicContact CB-CE1 3.78Å; L269-Y284 HydrophobicContact CD2-CD1 3.76Å; L269-Y284 HydrophobicContact CD2-CD2 4Å; L269-Y284 HydrophobicContact CD2-CE1 3.98Å; L269-Y284 HydrophobicContact CD2-CE2 4.21Å; L269-Y284 HydrophobicContact CD2-CG 3.77Å; L269-Y284 HydrophobicContact CG-CE1 4.42Å; L269-Y284 VanDerWaalsContact O-CD1 3.28Å; L269-Y284 WeakPolarHBondContact O-CD1 3.27Å; L269-Y284 WeakPolarHBondContact O-CE1 3.37Å; V276-Y284 WeakPolarHBondContact CG1-OH 3.22Å; I282-Y284 HydrophobicContact CB-CD2 4.42Å; I282-Y284 HydrophobicContact CB-CE2 3.63Å; I282-Y284 WeakPolarHBondContact CD1-OH 3.11Å; I282-Y284 HydrophobicContact CG2-CD2 4.23Å; I282-Y284 HydrophobicContact CG2-CE1 4.01Å; I282-Y284 HydrophobicContact CG2-CE2 3.64Å; I282-Y284 WeakPolarHBondContact O-CD2 3.42Å; I282-Y284 WeakPolarHBondContact O-CE2 3.43Å
285	T	90.9	Very high	80.7	Confident	82 Å²	82	61.1 Å²	61.1	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	120.9	-179.6	-56.1	0	0	0	0	109.3	N237	N237-T285 HydrophobicContact CB-CG2 3.82Å
286	F	91.2	Very high	82.2	Confident	11 Å²	11	57 Å²	57	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.7	177	-61.4	-88.9	0	0	0	109.1	N237 L238 F240 V256 A267 L269 W296	N237-F286 WeakPolarHBondContact CA-O 3.38Å; L238-F286 PolarHBondContact N-O 3.06Å; L238-F286 PolarHBondContact O-N 3.23Å; F240-F286 AromaticContact CE1-CD2 3.94Å; F240-F286 HydrophobicContact CE1-CD2 3.94Å; F240-F286 AromaticContact CE1-CE2 3.66Å; F240-F286 HydrophobicContact CE1-CE2 3.66Å; F240-F286 AromaticContact CZ-CE2 3.78Å; F240-F286 HydrophobicContact CZ-CE2 3.78Å; V256-F286 HydrophobicContact CB-CZ 4.46Å; V256-F286 HydrophobicContact CG2-CD2 4.43Å; V256-F286 HydrophobicContact CG2-CE2 3.72Å; V256-F286 HydrophobicContact CG2-CZ 3.78Å; A267-F286 HydrophobicContact CB-CD1 3.77Å; A267-F286 HydrophobicContact CB-CE1 3.57Å; L269-F286 HydrophobicContact CD2-CE2 4.46Å; L269-F286 HydrophobicContact CD2-CZ 4.29Å; F286-W296 HydrophobicContact CB-CH2 4.29Å; F286-W296 HydrophobicContact CB-CZ2 3.67Å; F286-W296 HydrophobicContact CD1-CZ2 4.43Å; F286-W296 HydrophobicContact CG-CH2 4.49Å; F286-W296 HydrophobicContact CG-CZ2 4.28Å
287	R	91.3	Very high	83.2	Confident	102 Å²	102	62.4 Å²	62.4	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132.5	175.4	-170.5	179	-177.9	108.7	21.4	109.1	G235 Q236 D289 W296	G235-R287 VanDerWaalsContact O-CZ 3.26Å; G235-R287 PolarHBondContact O-NE 2.79Å; G235-R287 PolarHBondContact O-NH2 3.3Å; Q236-R287 CarbonylContact O-C 3.46Å; Q236-R287 WeakPolarHBondContact O-CA 3.33Å; R287-D289 VanDerWaalsContact C-N 3.26Å; R287-D289 WeakPolarHBondContact CD-OD2 3.45Å; R287-D289 IonicContact CZ-OD2 2.68Å; R287-D289 IonicContact NE-OD1 2.68Å; R287-D289 IonicContact NE-OD2 3.55Å; R287-D289 PolarHBondContact NE-OD2 3.42Å; R287-D289 PolarHBondContact O-N 3.26Å; R287-D289 VanDerWaalsContact O-N 3.12Å; R287-W296 PolarHBondContact O-NE1 2.83Å
288	L	92.9	Very high	84.4	Confident	4 Å²	4	63 Å²	63	2%	0.021	35%	0.346	C	S	.	.			trans	-89.7	57.9	-175.4	-60.8	-179.3	0	0	0	111.1	Y234 G235 Q236 L238 L258 W296 F305 L309 L334	Y234-L288 VanDerWaalsContact CD2-O 3.27Å; Y234-L288 WeakPolarHBondContact CD2-O 3.39Å; G235-L288 PolarHBondContact N-O 3.14Å; Q236-L288 PolarHBondContact O-N 3.42Å; L238-L288 HydrophobicContact CB-CD1 4.35Å; L238-L288 HydrophobicContact CB-CD2 4.21Å; L238-L288 HydrophobicContact CB-CG 4.37Å; L258-L288 HydrophobicContact CD1-CD2 3.79Å; L288-W296 HydrophobicContact CD2-CZ2 3.86Å; L288-F305 VanDerWaalsContact C-CE1 3.43Å; L288-F305 HydrophobicContact CB-CE1 4.14Å; L288-L309 HydrophobicContact CB-CD1 4.29Å; L288-L309 HydrophobicContact CD1-CD2 4.38Å; L288-L334 HydrophobicContact CD1-CD1 3.45Å; L288-L334 VanDerWaalsContact CD1-CD1 3.45Å
289	D	89.3	Confident	85.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-137.4	162.7	169.2	57.5	22.8	0	0	0	112.1	Y234 R287 K291 S294	Y234-D289 HydrophobicContact CE2-CB 3.79Å; R287-D289 VanDerWaalsContact C-N 3.26Å; R287-D289 WeakPolarHBondContact CD-OD2 3.45Å; R287-D289 IonicContact CZ-OD2 2.68Å; R287-D289 IonicContact NE-OD1 2.68Å; R287-D289 IonicContact NE-OD2 3.55Å; R287-D289 PolarHBondContact NE-OD2 3.42Å; R287-D289 PolarHBondContact O-N 3.26Å; R287-D289 VanDerWaalsContact O-N 3.12Å; D289-K291 PolarHBondContact O-N 2.89Å; D289-K291 VanDerWaalsContact O-N 3.1Å; D289-K291 WeakPolarHBondContact OD2-CD 3.17Å; D289-K291 WeakPolarHBondContact OD2-CE 3.38Å; D289-K291 IonicContact OD2-NZ 3.58Å; D289-K291 PolarHBondContact OD2-NZ 2.92Å; D289-S294 WeakPolarHBondContact O-CB 3.31Å; D289-S294 PolarHBondContact OD1-OG 3.26Å
290	E	85.8	Confident	85.9	Confident	33 Å²	33	63 Å²	63	15%	0.154	33%	0.325	C	S	.	.	S	Bend	trans	-64.2	-9.7	-176.8	69.6	-64.5	142.6	0	0	115	Y234 Q299 L300 S302 F305	Y234-E290 WeakPolarHBondContact CE2-OE2 3.32Å; Y234-E290 PolarHBondContact OH-OE1 3.4Å; Y234-E290 PolarHBondContact OH-OE2 2.97Å; E290-Q299 PolarHBondContact O-NE2 2.85Å; E290-L300 WeakPolarHBondContact CB-O 3.15Å; E290-S302 WeakPolarHBondContact OE2-CA 3.48Å; E290-S302 WeakPolarHBondContact OE2-CB 3.43Å; E290-S302 PolarHBondContact OE2-OG 2.83Å; E290-F305 HydrophobicContact CB-CB 4.4Å
291	K	83.5	Confident	86.2	Confident	74 Å²	74	58.7 Å²	58.7	32%	0.322	31%	0.313	S	S	.	.			trans	-64.6	142.8	-166.6	-61.8	176.3	-173.1	135.3	0	111.3	D289 S293 S294	D289-K291 PolarHBondContact O-N 2.89Å; D289-K291 VanDerWaalsContact O-N 3.1Å; D289-K291 WeakPolarHBondContact OD2-CD 3.17Å; D289-K291 WeakPolarHBondContact OD2-CE 3.38Å; D289-K291 IonicContact OD2-NZ 3.58Å; D289-K291 PolarHBondContact OD2-NZ 2.92Å; K291-S293 WeakPolarHBondContact CB-OG 3.41Å; K291-S293 PolarHBondContact O-N 2.89Å; K291-S293 VanDerWaalsContact O-N 3.11Å; K291-S294 WeakPolarHBondContact O-CA 3.32Å; K291-S294 VanDerWaalsContact O-CB 3.27Å; K291-S294 WeakPolarHBondContact O-CB 3.43Å; K291-S294 PolarHBondContact O-N 3.43Å
292	S	75.3	Confident	86.3	Confident	104 Å²	104	54.2 Å²	54.2	73%	0.727	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-60	-25.1	178.5	57.6	0	0	0	0	113.6	S294 Q299	S292-S294 PolarHBondContact O-N 2.95Å; S292-Q299 VanDerWaalsContact CA-OE1 3.27Å
293	S	76.9	Confident	86.2	Confident	84 Å²	84	56.3 Å²	56.3	59%	0.587	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-60.4	-28.5	169.3	52	0	0	0	0	114.1	K291 K295	K291-S293 WeakPolarHBondContact CB-OG 3.41Å; K291-S293 PolarHBondContact O-N 2.89Å; K291-S293 VanDerWaalsContact O-N 3.11Å; S293-K295 VanDerWaalsContact C-N 3.31Å
294	S	79.1	Confident	86.2	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.063	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-89.3	1.4	-169.6	-52.2	0	0	0	0	112.8	D289 K291 S292 W296	D289-S294 WeakPolarHBondContact O-CB 3.31Å; D289-S294 PolarHBondContact OD1-OG 3.26Å; K291-S294 WeakPolarHBondContact O-CA 3.32Å; K291-S294 VanDerWaalsContact O-CB 3.27Å; K291-S294 WeakPolarHBondContact O-CB 3.43Å; K291-S294 PolarHBondContact O-N 3.43Å; S292-S294 PolarHBondContact O-N 2.95Å; S294-W296 PolarHBondContact O-N 3.09Å
295	K	79.8	Confident	86.2	Confident	91 Å²	91	54.8 Å²	54.8	40%	0.396	29%	0.289	S	S	.	.			trans	64.2	1.6	167.1	-51.8	-166.2	-178.4	-167.3	0	117.7	D271 S293	D271-K295 VanDerWaalsContact CG-NZ 3.31Å; D271-K295 IonicContact OD1-NZ 3.36Å; D271-K295 PolarHBondContact OD1-NZ 2.95Å; D271-K295 IonicContact OD2-NZ 2.82Å; D271-K295 PolarHBondContact OD2-NZ 2.79Å; S293-K295 VanDerWaalsContact C-N 3.31Å
296	W	90.4	Very high	86.1	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.011	27%	0.266	C	S	.	.			trans	-63	138.8	175.5	-61.6	112.6	0	0	0	113.7	V256 L258 V265 A266 A267 F286 R287 L288 S294 Q299 F305	V256-W296 HydrophobicContact CG1-CH2 3.99Å; V256-W296 HydrophobicContact CG1-CZ3 4.28Å; L258-W296 HydrophobicContact CD1-CE3 4.44Å; L258-W296 HydrophobicContact CD1-CH2 3.54Å; L258-W296 HydrophobicContact CD1-CZ2 3.72Å; L258-W296 HydrophobicContact CD1-CZ3 3.92Å; L258-W296 HydrophobicContact CD2-CH2 4.31Å; L258-W296 HydrophobicContact CG-CH2 3.66Å; L258-W296 HydrophobicContact CG-CZ2 4.35Å; L258-W296 HydrophobicContact CG-CZ3 3.8Å; V265-W296 HydrophobicContact CB-CB 4.27Å; V265-W296 HydrophobicContact CB-CE3 4.15Å; V265-W296 HydrophobicContact CG2-CD2 4.11Å; V265-W296 HydrophobicContact CG2-CE3 3.72Å; V265-W296 HydrophobicContact CG2-CG 4.46Å; V265-W296 HydrophobicContact CG2-CZ3 4.32Å; A266-W296 CarbonylContact O-C 3.56Å; A267-W296 HydrophobicContact CB-CD2 4.22Å; A267-W296 HydrophobicContact CB-CE3 3.71Å; A267-W296 HydrophobicContact CB-CH2 4.41Å; A267-W296 HydrophobicContact CB-CZ3 3.82Å; F286-W296 HydrophobicContact CB-CH2 4.29Å; F286-W296 HydrophobicContact CB-CZ2 3.67Å; F286-W296 HydrophobicContact CD1-CZ2 4.43Å; F286-W296 HydrophobicContact CG-CH2 4.49Å; F286-W296 HydrophobicContact CG-CZ2 4.28Å; R287-W296 PolarHBondContact O-NE1 2.83Å; L288-W296 HydrophobicContact CD2-CZ2 3.86Å; S294-W296 PolarHBondContact O-N 3.09Å; W296-Q299 PolarHBondContact O-NE2 3.38Å; W296-F305 HydrophobicContact CB-CE2 4.15Å; W296-F305 AromaticContact CD1-CE2 3.53Å; W296-F305 AromaticContact CD1-CZ 3.66Å; W296-F305 HydrophobicContact CD2-CE2 4.31Å; W296-F305 HydrophobicContact CD2-CZ 4.31Å; W296-F305 AromaticContact CG-CE2 3.74Å; W296-F305 HydrophobicContact CG-CE2 3.74Å; W296-F305 HydrophobicContact CG-CZ 4.11Å; W296-F305 AromaticContact NE1-CZ 3.64Å
297	K	85.5	Confident	85.9	Confident	124 Å²	124	54.3 Å²	54.3	54%	0.539	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-137.8	136.5	178.1	-66.2	-170.5	177.9	-173.5	0	111.4	V265 A266	V265-K297 CarbonylContact C-O 3.58Å; A266-K297 PolarHBondContact N-O 3.38Å; A266-K297 PolarHBondContact O-N 3.47Å
298	P	90.2	Very high	86	Confident	80 Å²	80	49.5 Å²	49.5	52%	0.519	26%	0.261	S	S	.	.	S	Bend	cis	-56.1	157.7	-10.2	27.4	-36.5	0	0	0	112.1	R264 L300	R264-P298 WeakPolarHBondContact O-CD 3.42Å; P298-L300 HydrophobicContact CG-CD2 4.46Å; P298-L300 PolarHBondContact O-N 3.38Å
299	Q	85.1	Confident	85.9	Confident	99 Å²	99	49.3 Å²	49.3	46%	0.463	26%	0.261	S	S	.	.			trans	-76.2	115.4	170.8	-71.8	-89	-93.3	0	0	107	E290 S292 W296	E290-Q299 PolarHBondContact O-NE2 2.85Å; S292-Q299 VanDerWaalsContact CA-OE1 3.27Å; W296-Q299 PolarHBondContact O-NE2 3.38Å
300	L	89.4	Confident	85.9	Confident	24 Å²	24	52 Å²	52	13%	0.126	27%	0.273	C	S	.	.			trans	-88.5	164.9	174.4	-64.4	-176.3	0	0	0	110.3	L263 V265 E290 P298 E304 F305 L308	L263-L300 HydrophobicContact CB-CD1 4.45Å; L263-L300 HydrophobicContact CD1-CD1 4.4Å; L263-L300 HydrophobicContact CD2-CD2 4.47Å; V265-L300 HydrophobicContact CG1-CD1 3.42Å; V265-L300 VanDerWaalsContact CG1-CD1 3.42Å; V265-L300 HydrophobicContact CG1-CD2 4.46Å; V265-L300 HydrophobicContact CG1-CG 3.6Å; E290-L300 WeakPolarHBondContact CB-O 3.15Å; P298-L300 HydrophobicContact CG-CD2 4.46Å; P298-L300 PolarHBondContact O-N 3.38Å; L300-E304 HydrophobicContact CB-CB 3.88Å; L300-E304 HydrophobicContact CD1-CB 4.14Å; L300-E304 HydrophobicContact CD2-CB 4.33Å; L300-E304 HydrophobicContact CG-CB 4.34Å; L300-F305 HydrophobicContact CD1-CD2 4.44Å; L300-L308 HydrophobicContact CD1-CD1 4.33Å
301	S	86.8	Confident	86	Confident	52 Å²	52	54.1 Å²	54.1	36%	0.364	29%	0.286	S	S	.	.			trans	-69	163	158.9	66.3	0	0	0	0	111.3	F303 E304 F305	S301-F303 VanDerWaalsContact C-N 3.3Å; S301-F303 PolarHBondContact O-N 3.49Å; S301-E304 WeakPolarHBondContact CB-OE2 3.31Å; S301-E304 PolarHBondContact N-OE2 3.39Å; S301-E304 PolarHBondContact O-N 3.07Å; S301-E304 WeakPolarHBondContact OG-CB 3.39Å; S301-E304 VanDerWaalsContact OG-CG 3.3Å; S301-E304 WeakPolarHBondContact OG-CG 3.44Å; S301-E304 PolarHBondContact OG-N 2.8Å; S301-E304 PolarHBondContact OG-OE2 3.5Å; S301-F305 PolarHBondContact O-N 3.33Å
302	S	84.2	Confident	86.5	Confident	18 Å²	18	50.8 Å²	50.8	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-44.7	174.8	-176.2	0	0	0	0	111.8	P152 Y234 E290 E304 F305 Q306	P152-S302 WeakPolarHBondContact CB-OG 3.48Å; P152-S302 WeakPolarHBondContact CG-OG 3.38Å; Y234-S302 PolarHBondContact OH-OG 2.86Å; E290-S302 WeakPolarHBondContact OE2-CA 3.48Å; E290-S302 WeakPolarHBondContact OE2-CB 3.43Å; E290-S302 PolarHBondContact OE2-OG 2.83Å; S302-E304 PolarHBondContact O-N 3.24Å; S302-F305 PolarHBondContact O-N 3.39Å; S302-Q306 WeakPolarHBondContact O-CB 3.32Å; S302-Q306 WeakPolarHBondContact O-CG 3.25Å; S302-Q306 PolarHBondContact O-N 2.88Å; S302-Q306 PolarHBondContact O-OE1 3.12Å; S302-Q306 PolarHBondContact OG-NE2 3.21Å
303	F	83.9	Confident	87.3	Confident	85 Å²	85	49.3 Å²	49.3	37%	0.373	26%	0.258	S	S	.	.	H	α-helix	trans	-57.6	-46.8	176.4	174.8	-93	0	0	0	112.7	S301 Q306 K307 F379	S301-F303 VanDerWaalsContact C-N 3.3Å; S301-F303 PolarHBondContact O-N 3.49Å; F303-Q306 PolarHBondContact O-N 3.34Å; F303-K307 WeakPolarHBondContact O-CB 3.15Å; F303-K307 PolarHBondContact O-N 3.21Å; F303-F379 HydrophobicContact CE1-CD1 4.42Å; F303-F379 AromaticContact CE2-CD1 3.51Å; F303-F379 HydrophobicContact CE2-CD1 3.51Å; F303-F379 AromaticContact CE2-CE1 3.83Å; F303-F379 HydrophobicContact CE2-CE1 3.83Å; F303-F379 AromaticContact CZ-CD1 3.4Å; F303-F379 HydrophobicContact CZ-CD1 3.4Å; F303-F379 VanDerWaalsContact CZ-CD1 3.4Å; F303-F379 AromaticContact CZ-CE1 3.88Å; F303-F379 HydrophobicContact CZ-CE1 3.88Å; F303-F379 HydrophobicContact CZ-CG 4.25Å
304	E	88.4	Confident	88.1	Confident	71 Å²	71	45.5 Å²	45.5	33%	0.332	23%	0.232	S	C	.	.	H	α-helix	trans	-66.3	-39.5	176.6	-74.3	165.3	119.3	0	0	112.1	L263 L300 S301 S302 K307 L308	L263-E304 HydrophobicContact CD1-CB 3.8Å; L263-E304 HydrophobicContact CD1-CG 4.24Å; L263-E304 WeakPolarHBondContact CD1-O 3.37Å; L300-E304 HydrophobicContact CB-CB 3.88Å; L300-E304 HydrophobicContact CD1-CB 4.14Å; L300-E304 HydrophobicContact CD2-CB 4.33Å; L300-E304 HydrophobicContact CG-CB 4.34Å; S301-E304 WeakPolarHBondContact CB-OE2 3.31Å; S301-E304 PolarHBondContact N-OE2 3.39Å; S301-E304 PolarHBondContact O-N 3.07Å; S301-E304 WeakPolarHBondContact OG-CB 3.39Å; S301-E304 VanDerWaalsContact OG-CG 3.3Å; S301-E304 WeakPolarHBondContact OG-CG 3.44Å; S301-E304 PolarHBondContact OG-N 2.8Å; S301-E304 PolarHBondContact OG-OE2 3.5Å; S302-E304 PolarHBondContact O-N 3.24Å; E304-K307 PolarHBondContact O-N 2.89Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 PolarHBondContact O-N 2.77Å
305	F	90.7	Very high	88.9	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-39.9	176.2	-154.6	-74.3	0	0	0	111.6	Y234 L258 V265 L288 E290 W296 L300 S301 S302 L308 L309	Y234-F305 HydrophobicContact CD2-CD1 4.35Å; L258-F305 HydrophobicContact CD1-CZ 4.31Å; V265-F305 HydrophobicContact CG2-CE2 4.06Å; V265-F305 HydrophobicContact CG2-CZ 4.45Å; L288-F305 VanDerWaalsContact C-CE1 3.43Å; L288-F305 HydrophobicContact CB-CE1 4.14Å; E290-F305 HydrophobicContact CB-CB 4.4Å; W296-F305 HydrophobicContact CB-CE2 4.15Å; W296-F305 AromaticContact CD1-CE2 3.53Å; W296-F305 AromaticContact CD1-CZ 3.66Å; W296-F305 HydrophobicContact CD2-CE2 4.31Å; W296-F305 HydrophobicContact CD2-CZ 4.31Å; W296-F305 AromaticContact CG-CE2 3.74Å; W296-F305 HydrophobicContact CG-CE2 3.74Å; W296-F305 HydrophobicContact CG-CZ 4.11Å; W296-F305 AromaticContact NE1-CZ 3.64Å; L300-F305 HydrophobicContact CD1-CD2 4.44Å; S301-F305 PolarHBondContact O-N 3.33Å; S302-F305 PolarHBondContact O-N 3.39Å; F305-L308 PolarHBondContact O-N 2.8Å; F305-L309 HydrophobicContact CD1-CD1 3.98Å; F305-L309 HydrophobicContact CD1-CG 4.24Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 HydrophobicContact CE1-CG 4.23Å; F305-L309 WeakPolarHBondContact O-CG 3.46Å; F305-L309 PolarHBondContact O-N 2.91Å; F305-L309 VanDerWaalsContact O-N 3.1Å
306	Q	88.3	Confident	89.6	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-37.9	175.3	-68.6	162.8	-25.9	0	0	111.5	P152 F154 L231 Y234 S302 F303 L309 Q310	P152-Q306 PolarHBondContact O-NE2 2.84Å; F154-Q306 HydrophobicContact CB-CG 4.42Å; F154-Q306 HydrophobicContact CD2-CB 3.35Å; F154-Q306 HydrophobicContact CD2-CG 3.98Å; F154-Q306 VanDerWaalsContact CD2-OE1 3.31Å; F154-Q306 HydrophobicContact CE2-CB 3.57Å; F154-Q306 HydrophobicContact CG-CB 4.13Å; F154-Q306 HydrophobicContact CG-CG 4.46Å; L231-Q306 HydrophobicContact CD1-CB 4.14Å; Y234-Q306 HydrophobicContact CD1-CG 4.09Å; Y234-Q306 HydrophobicContact CD2-CG 3.51Å; Y234-Q306 HydrophobicContact CE1-CG 4.25Å; Y234-Q306 HydrophobicContact CE2-CG 3.69Å; Y234-Q306 HydrophobicContact CG-CG 3.73Å; S302-Q306 WeakPolarHBondContact O-CB 3.32Å; S302-Q306 WeakPolarHBondContact O-CG 3.25Å; S302-Q306 PolarHBondContact O-N 2.88Å; S302-Q306 PolarHBondContact O-OE1 3.12Å; S302-Q306 PolarHBondContact OG-NE2 3.21Å; F303-Q306 PolarHBondContact O-N 3.34Å; Q306-L309 PolarHBondContact O-N 3.12Å; Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 PolarHBondContact O-N 3.38Å
307	K	87.9	Confident	89.7	Confident	76 Å²	76	41.4 Å²	41.4	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-62	-42.2	170.8	-179.2	-177.4	178.5	-166	0	112.3	G261 L263 F303 E304 L309 Q310 N311 F379	G261-K307 VanDerWaalsContact O-CE 3.3Å; G261-K307 WeakPolarHBondContact O-CE 3.34Å; L263-K307 HydrophobicContact CD1-CB 4.42Å; L263-K307 HydrophobicContact CD1-CD 4.26Å; L263-K307 HydrophobicContact CD1-CG 4.48Å; F303-K307 WeakPolarHBondContact O-CB 3.15Å; F303-K307 PolarHBondContact O-N 3.21Å; E304-K307 PolarHBondContact O-N 2.89Å; K307-L309 VanDerWaalsContact C-N 3.29Å; K307-L309 PolarHBondContact O-N 3.18Å; K307-Q310 PolarHBondContact O-N 3.37Å; K307-N311 PolarHBondContact O-N 2.93Å; K307-F379 HydrophobicContact CB-CE1 4.24Å; K307-F379 HydrophobicContact CB-CE2 4.45Å; K307-F379 HydrophobicContact CB-CZ 3.76Å; K307-F379 HydrophobicContact CD-CE2 4.41Å; K307-F379 HydrophobicContact CD-CZ 4.42Å; K307-F379 HydrophobicContact CG-CE1 4.48Å; K307-F379 HydrophobicContact CG-CE2 3.92Å; K307-F379 HydrophobicContact CG-CZ 3.74Å
308	L	91.9	Very high	90	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.1	-37.7	174.8	174.5	148.7	0	0	0	111.9	L258 L263 V265 L300 E304 F305 N311 L312	L258-L308 HydrophobicContact CB-CD2 3.96Å; L258-L308 HydrophobicContact CD1-CD2 4.3Å; L263-L308 HydrophobicContact CB-CB 4.22Å; L263-L308 HydrophobicContact CB-CD1 3.95Å; L263-L308 HydrophobicContact CD1-CB 4.38Å; V265-L308 HydrophobicContact CG1-CD1 4.41Å; V265-L308 HydrophobicContact CG2-CD1 3.99Å; L300-L308 HydrophobicContact CD1-CD1 4.33Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 PolarHBondContact O-N 2.77Å; F305-L308 PolarHBondContact O-N 2.8Å; L308-N311 CarbonylContact O-C 3.56Å; L308-L312 HydrophobicContact CD2-CD1 3.84Å; L308-L312 HydrophobicContact CG-CD1 4.49Å; L308-L312 WeakPolarHBondContact O-CA 3.41Å; L308-L312 PolarHBondContact O-N 2.84Å
309	L	92.1	Very high	89.9	Confident	1 Å²	1	33 Å²	33	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-77.4	-24.6	175.5	-67.8	175.5	0	0	0	113.9	K230 L231 Y234 L288 F305 Q306 K307 N311 L312	K230-L309 CarbonylContact C-O 3.57Å; K230-L309 WeakPolarHBondContact CA-O 3.44Å; K230-L309 PolarHBondContact N-O 3.23Å; L231-L309 PolarHBondContact N-O 3.4Å; Y234-L309 HydrophobicContact CD2-CD1 4.14Å; L288-L309 HydrophobicContact CB-CD1 4.29Å; L288-L309 HydrophobicContact CD1-CD2 4.38Å; F305-L309 HydrophobicContact CD1-CD1 3.98Å; F305-L309 HydrophobicContact CD1-CG 4.24Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 HydrophobicContact CE1-CG 4.23Å; F305-L309 WeakPolarHBondContact O-CG 3.46Å; F305-L309 PolarHBondContact O-N 2.91Å; F305-L309 VanDerWaalsContact O-N 3.1Å; Q306-L309 PolarHBondContact O-N 3.12Å; K307-L309 VanDerWaalsContact C-N 3.29Å; K307-L309 PolarHBondContact O-N 3.18Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 3.38Å; L309-L312 HydrophobicContact CD2-CD2 4.3Å
310	Q	88.3	Confident	89.9	Confident	55 Å²	55	28.3 Å²	28.3	26%	0.257	15%	0.146	S	C	.	.	H	α-helix	trans	-70.1	-27.1	178.5	-176.6	-82.5	-30.2	0	0	112.6	Y156 N229 Q306 K307	Y156-Q310 HydrophobicContact CE1-CG 4.14Å; N229-Q310 VanDerWaalsContact CA-O 3.24Å; N229-Q310 WeakPolarHBondContact CA-O 3.13Å; N229-Q310 WeakPolarHBondContact CB-O 3.25Å; Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 PolarHBondContact O-N 3.38Å; K307-Q310 PolarHBondContact O-N 3.37Å
311	N	88.3	Confident	89.4	Confident	79 Å²	79	28.5 Å²	28.5	42%	0.422	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	70.5	173.1	-174.8	6.3	0	0	0	110.3	G260 G261 K307 L308 L309 T313	G260-N311 CarbonylContact C-O 3.52Å; G260-N311 VanDerWaalsContact C-O 3.27Å; G260-N311 WeakPolarHBondContact CA-O 3.24Å; G261-N311 PolarHBondContact N-O 3.45Å; K307-N311 PolarHBondContact O-N 2.93Å; L308-N311 CarbonylContact O-C 3.56Å; L309-N311 VanDerWaalsContact C-N 3.3Å; L309-N311 PolarHBondContact O-N 3.38Å; N311-T313 PolarHBondContact O-N 3.46Å
312	L	93.8	Very high	88.8	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	107.4	-176.8	-170.6	63	0	0	0	110.3	L227 G228 K230 L258 L308 L309 I315	L227-L312 CarbonylContact C-O 3.51Å; L227-L312 WeakPolarHBondContact CA-O 3.41Å; L227-L312 WeakPolarHBondContact CB-O 3.38Å; G228-L312 PolarHBondContact N-O 3.14Å; G228-L312 WeakPolarHBondContact O-CB 3.45Å; G228-L312 PolarHBondContact O-N 3.08Å; K230-L312 HydrophobicContact CB-CD2 4.27Å; K230-L312 HydrophobicContact CG-CD2 4.29Å; L258-L312 HydrophobicContact CB-CD1 4.12Å; L308-L312 HydrophobicContact CD2-CD1 3.84Å; L308-L312 HydrophobicContact CG-CD1 4.49Å; L308-L312 WeakPolarHBondContact O-CA 3.41Å; L308-L312 PolarHBondContact O-N 2.84Å; L309-L312 HydrophobicContact CD2-CD2 4.3Å; L312-I315 HydrophobicContact CD2-CD1 3.88Å; L312-I315 HydrophobicContact CD2-CG1 3.85Å; L312-I315 HydrophobicContact CG-CG1 4.34Å
313	T	92.8	Very high	88.3	Confident	74 Å²	74	32.6 Å²	32.6	45%	0.454	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-17	-173.2	56.7	0	0	0	0	114.3	E259 N311	E259-T313 PolarHBondContact O-N 2.75Å; E259-T313 PolarHBondContact O-OG1 3.39Å; N311-T313 PolarHBondContact O-N 3.46Å
314	A	93.8	Very high	88	Confident	4 Å²	4	32.7 Å²	32.7	3%	0.033	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	142.5	167.1	0	0	0	0	0	113.2	L258 E259 K316	L258-A314 WeakPolarHBondContact CA-O 3.18Å; E259-A314 HydrophobicContact CB-CB 4.32Å; E259-A314 PolarHBondContact N-O 3.19Å; E259-A314 PolarHBondContact O-N 3.04Å; A314-K316 HydrophobicContact CB-CG 4.2Å
315	I	95.7	Very high	87.6	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.6	156.3	-53	-173.2	0	0	0	107.1	A222 L227 L238 L258 L312	A222-I315 HydrophobicContact CB-CB 3.89Å; A222-I315 PolarHBondContact N-O 2.98Å; L227-I315 HydrophobicContact CD2-CG1 4.15Å; L238-I315 HydrophobicContact CD2-CD1 4.47Å; L238-I315 HydrophobicContact CD2-CG2 4.02Å; L258-I315 HydrophobicContact CD2-CB 4.2Å; L258-I315 HydrophobicContact CD2-CD1 4.23Å; L258-I315 HydrophobicContact CD2-CG1 3.77Å; L258-I315 HydrophobicContact CD2-CG2 3.91Å; L312-I315 HydrophobicContact CD2-CD1 3.88Å; L312-I315 HydrophobicContact CD2-CG1 3.85Å; L312-I315 HydrophobicContact CG-CG1 4.34Å
316	K	94.2	Very high	87.5	Confident	13 Å²	13	33.4 Å²	33.4	6%	0.057	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.8	-179.3	-47.4	177.7	-173.2	171.9	0	109.8	Y219 L220 Y221 V256 V257 E259 A314	Y219-K316 HydrophobicContact CD1-CB 3.92Å; Y219-K316 HydrophobicContact CG-CB 4.35Å; L220-K316 WeakPolarHBondContact O-CA 3.49Å; Y221-K316 HydrophobicContact CD1-CG 4.15Å; Y221-K316 HydrophobicContact CE1-CD 3.87Å; Y221-K316 VanDerWaalsContact CE1-CE 3.49Å; Y221-K316 HydrophobicContact CE1-CG 3.99Å; Y221-K316 HydrophobicContact CE2-CD 4.38Å; Y221-K316 HydrophobicContact CE2-CG 4.47Å; Y221-K316 HydrophobicContact CG-CG 4.49Å; V256-K316 CarbonylContact C-O 3.28Å; V256-K316 WeakPolarHBondContact CA-O 3.38Å; V257-K316 HydrophobicContact CB-CB 4.13Å; V257-K316 HydrophobicContact CB-CD 4.4Å; V257-K316 HydrophobicContact CB-CG 4.48Å; V257-K316 PolarHBondContact N-O 2.87Å; V257-K316 PolarHBondContact O-N 3.44Å; E259-K316 WeakPolarHBondContact OE1-CE 3.22Å; E259-K316 IonicContact OE1-NZ 3.2Å; E259-K316 PolarHBondContact OE1-NZ 3.47Å; E259-K316 VanDerWaalsContact OE2-CE 3.22Å; E259-K316 WeakPolarHBondContact OE2-CE 3.46Å; E259-K316 IonicContact OE2-NZ 3.66Å; E259-K316 PolarHBondContact OE2-NZ 3.37Å; A314-K316 HydrophobicContact CB-CG 4.2Å
317	I	93.5	Very high	87.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119	176.6	-57.6	174	0	0	0	108.3	W184 Y219 L220 F240 A319 L329 V332	W184-I317 HydrophobicContact CH2-CD1 3.82Å; W184-I317 HydrophobicContact CZ3-CD1 3.98Å; W184-I317 HydrophobicContact CZ3-CG1 4.46Å; Y219-I317 WeakPolarHBondContact CA-O 3.44Å; L220-I317 PolarHBondContact N-O 2.86Å; L220-I317 PolarHBondContact O-N 3.34Å; F240-I317 HydrophobicContact CB-CD1 4.47Å; F240-I317 HydrophobicContact CD1-CD1 3.69Å; F240-I317 HydrophobicContact CD1-CG1 4.47Å; F240-I317 HydrophobicContact CD2-CD1 4.37Å; F240-I317 HydrophobicContact CD2-CG2 4.21Å; F240-I317 HydrophobicContact CE1-CD1 3.92Å; F240-I317 HydrophobicContact CE1-CG1 4.2Å; F240-I317 HydrophobicContact CE1-CG2 4.35Å; F240-I317 HydrophobicContact CE2-CG2 3.68Å; F240-I317 HydrophobicContact CG-CD1 3.93Å; F240-I317 HydrophobicContact CZ-CD1 4.36Å; F240-I317 HydrophobicContact CZ-CG1 4.43Å; F240-I317 HydrophobicContact CZ-CG2 3.75Å; I317-A319 PolarHBondContact O-N 2.73Å; I317-L329 HydrophobicContact CD1-CD1 4.24Å; I317-L329 HydrophobicContact CD1-CD2 4.21Å; I317-L329 HydrophobicContact CG2-CD1 4.15Å; I317-V332 HydrophobicContact CD1-CG1 4.48Å
318	R	90.5	Very high	87.7	Confident	28 Å²	28	30.6 Å²	30.6	11%	0.106	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.3	-179.4	-173.5	-178.3	174.6	-173.1	6.9	111.1	P217 Y219 D255 T320 F321	P217-R318 HydrophobicContact CB-CG 4.45Å; Y219-R318 HydrophobicContact CD1-CB 3.85Å; Y219-R318 HydrophobicContact CE1-CB 3.69Å; Y219-R318 HydrophobicContact CE1-CG 4.21Å; D255-R318 HydrophobicContact CB-CB 4.3Å; D255-R318 WeakPolarHBondContact O-CB 3.47Å; D255-R318 PolarHBondContact O-N 2.95Å; D255-R318 VanDerWaalsContact OD1-CD 3.22Å; D255-R318 WeakPolarHBondContact OD1-CD 3.46Å; D255-R318 IonicContact OD1-CZ 2.73Å; D255-R318 IonicContact OD1-NE 3.85Å; D255-R318 IonicContact OD1-NH1 2.6Å; D255-R318 PolarHBondContact OD1-NH1 2.89Å; R318-T320 PolarHBondContact NE-O 3.19Å; R318-T320 PolarHBondContact NH2-O 3.07Å; R318-F321 HydrophobicContact CB-CZ 4.07Å; R318-F321 HydrophobicContact CG-CE1 4.26Å; R318-F321 HydrophobicContact CG-CE2 4.08Å; R318-F321 HydrophobicContact CG-CZ 3.81Å; R318-F321 VanDerWaalsContact CZ-CD1 3.44Å
319	A	88	Confident	87.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.			trans	-100.8	-30.7	-178.6	0	0	0	0	0	113.2	V210 T218 L220 I317 G327	V210-A319 HydrophobicContact CB-CB 3.75Å; V210-A319 HydrophobicContact CG1-CB 4.1Å; V210-A319 HydrophobicContact CG2-CB 3.76Å; T218-A319 PolarHBondContact O-N 2.96Å; L220-A319 HydrophobicContact CD1-CB 4.05Å; L220-A319 HydrophobicContact CG-CB 4.13Å; I317-A319 PolarHBondContact O-N 2.73Å; A319-G327 WeakPolarHBondContact O-CA 3.49Å; A319-G327 PolarHBondContact O-N 3.18Å
320	T	84.9	Confident	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.			trans	-120.3	143.1	-171	63.9	0	0	0	0	113.1	V210 T218 R318 G325	V210-T320 HydrophobicContact CB-CG2 4.33Å; V210-T320 HydrophobicContact CG1-CG2 3.65Å; T218-T320 WeakPolarHBondContact CB-OG1 3.42Å; T218-T320 PolarHBondContact N-OG1 2.82Å; T218-T320 PolarHBondContact OG1-OG1 3.5Å; R318-T320 PolarHBondContact NE-O 3.19Å; R318-T320 PolarHBondContact NH2-O 3.07Å; T320-G325 VanDerWaalsContact CG2-O 3.31Å; T320-G325 WeakPolarHBondContact CG2-O 3.4Å
321	F	80.5	Confident	88	Confident	28 Å²	28	32.1 Å²	32.1	12%	0.123	17%	0.166	C	C	.	.			trans	-138.3	80.4	-167.8	-66.4	-97.1	0	0	0	111.5	L242 L244 V248 D255 L269 R318	L242-F321 HydrophobicContact CD2-CE2 4.41Å; L244-F321 HydrophobicContact CD1-CD2 3.74Å; L244-F321 HydrophobicContact CD1-CE2 3.92Å; L244-F321 HydrophobicContact CD1-CG 4.25Å; L244-F321 HydrophobicContact CD2-CD2 3.79Å; L244-F321 HydrophobicContact CD2-CE2 3.87Å; L244-F321 HydrophobicContact CG-CD2 4.45Å; V248-F321 HydrophobicContact CG1-CB 4.29Å; V248-F321 HydrophobicContact CG1-CD1 4.03Å; V248-F321 HydrophobicContact CG2-CB 3.47Å; V248-F321 VanDerWaalsContact CG2-CB 3.47Å; V248-F321 HydrophobicContact CG2-CD1 3.99Å; V248-F321 HydrophobicContact CG2-CG 3.76Å; D255-F321 WeakPolarHBondContact OD1-CE1 3.29Å; L269-F321 HydrophobicContact CD1-CE1 4.26Å; L269-F321 HydrophobicContact CD1-CE2 4.39Å; L269-F321 HydrophobicContact CD1-CZ 3.56Å; R318-F321 HydrophobicContact CB-CZ 4.07Å; R318-F321 HydrophobicContact CG-CE1 4.26Å; R318-F321 HydrophobicContact CG-CE2 4.08Å; R318-F321 HydrophobicContact CG-CZ 3.81Å; R318-F321 VanDerWaalsContact CZ-CD1 3.44Å
322	G	72.6	Confident	88.3	Confident	25 Å²	25	28.4 Å²	28.4	26%	0.258	15%	0.146	S	C	.	.	S	Bend	trans	83.4	-170.6	-176.4	0	0	0	0	0	112.9	G325	G322-G325 VanDerWaalsContact O-CA 3.29Å; G322-G325 WeakPolarHBondContact O-CA 3.49Å; G322-G325 PolarHBondContact O-N 3.27Å
323	E	74.4	Confident	88.5	Confident	131 Å²	131	29.8 Å²	29.8	61%	0.612	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	143.8	-173.3	-62	172.6	172.2	0	0	112.5	R246 G325	R246-E323 PolarHBondContact NH1-O 3.38Å; E323-G325 PolarHBondContact O-N 2.91Å
324	D	77.8	Confident	88.6	Confident	86 Å²	86	26.3 Å²	26.3	46%	0.46	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.7	34.2	-158.7	-34.9	-63.5	0	0	0	113.8	S212 R246 R326	S212-D324 CarbonylContact O-C 3.55Å; S212-D324 VanDerWaalsContact O-C 3.32Å; S212-D324 VanDerWaalsContact O-CA 3.23Å; S212-D324 WeakPolarHBondContact O-CA 3.35Å; S212-D324 PolarHBondContact O-N 3.23Å; R246-D324 IonicContact CZ-OD2 3.16Å; R246-D324 IonicContact NH1-OD2 2.79Å; R246-D324 PolarHBondContact NH1-OD2 3.38Å; R246-D324 IonicContact NH2-OD2 2.68Å; R246-D324 PolarHBondContact NH2-OD2 3.03Å; D324-R326 PolarHBondContact O-N 2.86Å; D324-R326 VanDerWaalsContact O-N 3.13Å
325	G	80	Confident	88.6	Confident	4 Å²	4	27.4 Å²	27.4	4%	0.041	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	115.2	-179.3	0	0	0	0	0	110.9	S212 T320 G322 E323	S212-G325 PolarHBondContact N-O 3.31Å; S212-G325 PolarHBondContact O-N 2.89Å; T320-G325 VanDerWaalsContact CG2-O 3.31Å; T320-G325 WeakPolarHBondContact CG2-O 3.4Å; G322-G325 VanDerWaalsContact O-CA 3.29Å; G322-G325 WeakPolarHBondContact O-CA 3.49Å; G322-G325 PolarHBondContact O-N 3.27Å; E323-G325 PolarHBondContact O-N 2.91Å
326	R	88.6	Confident	88.5	Confident	84 Å²	84	27.6 Å²	27.6	32%	0.317	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	173.3	-169.5	-175.8	-51.4	-157.8	7.2	111.9	E209 V210 I211 D245 D324 Y328	E209-R326 HydrophobicContact CG-CG 4.21Å; E209-R326 WeakPolarHBondContact OE1-CD 3.43Å; E209-R326 IonicContact OE1-CZ 2.64Å; E209-R326 IonicContact OE1-NE 2.71Å; E209-R326 IonicContact OE1-NH1 2.79Å; E209-R326 PolarHBondContact OE1-NH1 2.99Å; E209-R326 IonicContact OE2-NH1 3.92Å; V210-R326 VanDerWaalsContact O-CA 3.32Å; V210-R326 WeakPolarHBondContact O-CA 3.4Å; V210-R326 WeakPolarHBondContact O-CG 3.29Å; I211-R326 HydrophobicContact CG1-CB 4.31Å; I211-R326 HydrophobicContact CG1-CG 3.72Å; D245-R326 HydrophobicContact CB-CB 4.43Å; D245-R326 PolarHBondContact N-O 3.07Å; D245-R326 WeakPolarHBondContact OD2-CD 3.43Å; D245-R326 IonicContact OD2-NE 3.23Å; D324-R326 PolarHBondContact O-N 2.86Å; D324-R326 VanDerWaalsContact O-N 3.13Å; R326-Y328 VanDerWaalsContact CD-CZ 3.48Å; R326-Y328 WeakPolarHBondContact CD-OH 3.49Å; R326-Y328 HydrophobicContact CG-CD2 4.47Å; R326-Y328 HydrophobicContact CG-CE2 3.81Å; R326-Y328 PolarHBondContact NH1-OH 3.18Å
327	G	89.1	Confident	88.2	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	158.8	173.6	0	0	0	0	0	112.7	V210 R243 A319	V210-G327 PolarHBondContact N-O 3.17Å; V210-G327 PolarHBondContact O-N 3.18Å; V210-G327 VanDerWaalsContact O-N 3.07Å; R243-G327 CarbonylContact O-C 3.35Å; R243-G327 WeakPolarHBondContact O-CA 3.43Å; A319-G327 WeakPolarHBondContact O-CA 3.49Å; A319-G327 PolarHBondContact O-N 3.18Å
328	Y	91.9	Very high	87.9	Confident	22 Å²	22	33.7 Å²	33.7	9%	0.086	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	120.2	-178.4	-59.6	-99.8	0	0	0	110.5	L208 E209 L242 R243 D245 R326	L208-Y328 VanDerWaalsContact O-CA 3.24Å; L208-Y328 WeakPolarHBondContact O-CA 3.36Å; E209-Y328 HydrophobicContact CB-CD1 3.7Å; E209-Y328 HydrophobicContact CB-CE1 3.57Å; E209-Y328 HydrophobicContact CG-CD1 3.93Å; E209-Y328 HydrophobicContact CG-CE1 3.42Å; E209-Y328 VanDerWaalsContact CG-CE1 3.42Å; E209-Y328 WeakPolarHBondContact OE1-CE1 3.11Å; E209-Y328 PolarHBondContact OE1-OH 2.93Å; L242-Y328 CarbonylContact C-O 3.6Å; L242-Y328 WeakPolarHBondContact CA-O 3.36Å; R243-Y328 HydrophobicContact CG-CD2 4.44Å; R243-Y328 VanDerWaalsContact CZ-CG 3.46Å; R243-Y328 PolarHBondContact N-O 3.12Å; R243-Y328 VanDerWaalsContact NH2-CE1 3.26Å; R243-Y328 PolarHBondContact O-N 2.77Å; D245-Y328 WeakPolarHBondContact OD1-CE2 3.45Å; R326-Y328 VanDerWaalsContact CD-CZ 3.48Å; R326-Y328 WeakPolarHBondContact CD-OH 3.49Å; R326-Y328 HydrophobicContact CG-CD2 4.47Å; R326-Y328 HydrophobicContact CG-CE2 3.81Å; R326-Y328 PolarHBondContact NH1-OH 3.18Å
329	L	94.3	Very high	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.5	-179.2	-175	68.8	0	0	0	111.3	W184 D207 L208 L220 F240 L242 I317 V332	W184-L329 HydrophobicContact CE3-CD2 4.1Å; W184-L329 HydrophobicContact CH2-CD2 4.47Å; W184-L329 HydrophobicContact CZ3-CD2 4.02Å; D207-L329 WeakPolarHBondContact CA-O 3.14Å; L208-L329 HydrophobicContact CB-CB 4.39Å; L208-L329 PolarHBondContact N-O 3.33Å; L208-L329 PolarHBondContact O-N 3.28Å; L208-L329 VanDerWaalsContact O-N 3.09Å; L220-L329 HydrophobicContact CB-CD2 4.27Å; L220-L329 HydrophobicContact CD1-CB 3.68Å; L220-L329 HydrophobicContact CD1-CD2 3.61Å; L220-L329 HydrophobicContact CD1-CG 4.28Å; F240-L329 HydrophobicContact CB-CD1 4.02Å; F240-L329 HydrophobicContact CD2-CD1 3.62Å; F240-L329 HydrophobicContact CE2-CD1 4.42Å; F240-L329 HydrophobicContact CG-CD1 4.06Å; L242-L329 HydrophobicContact CD1-CB 4.36Å; L242-L329 HydrophobicContact CD1-CD1 4.22Å; I317-L329 HydrophobicContact CD1-CD1 4.24Å; I317-L329 HydrophobicContact CD1-CD2 4.21Å; I317-L329 HydrophobicContact CG2-CD1 4.15Å; L329-V332 HydrophobicContact CD1-CG2 4.09Å; L329-V332 HydrophobicContact CD2-CG2 3.86Å; L329-V332 HydrophobicContact CG-CG2 3.89Å
330	D	92.2	Very high	87.4	Confident	9 Å²	9	42 Å²	42	5%	0.048	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.3	176.2	-176.9	14.1	0	0	0	111.7	F177 D207 S241 K281 V332	F177-D330 HydrophobicContact CD2-CB 4.42Å; D207-D330 HydrophobicContact CB-CB 4.09Å; S241-D330 WeakPolarHBondContact CA-O 3.37Å; S241-D330 VanDerWaalsContact CB-O 3.32Å; S241-D330 WeakPolarHBondContact CB-O 3.31Å; S241-D330 PolarHBondContact N-O 2.78Å; S241-D330 PolarHBondContact O-N 3.07Å; S241-D330 VanDerWaalsContact O-O 3.13Å; K281-D330 WeakPolarHBondContact CE-OD2 3.22Å; K281-D330 IonicContact NZ-OD2 3.26Å; K281-D330 PolarHBondContact NZ-OD2 3.05Å; D330-V332 PolarHBondContact O-N 3.3Å
331	N	90.8	Very high	86.7	Confident	79 Å²	79	49.9 Å²	49.9	42%	0.422	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.6	47.3	173.2	-77.9	-98.8	0	0	0	113	S175 F240	S175-N331 WeakPolarHBondContact O-CA 3.27Å; F240-N331 WeakPolarHBondContact CA-O 3.47Å
332	V	95.9	Very high	86.7	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.7	176	-169.7	0	0	0	0	108.8	S174 S175 F177 W184 Y226 L238 S239 F240 I317 L329 D330	S174-V332 CarbonylContact C-O 3.59Å; S174-V332 VanDerWaalsContact CA-O 3.22Å; S174-V332 WeakPolarHBondContact CA-O 3.5Å; S175-V332 PolarHBondContact N-O 3.01Å; S175-V332 PolarHBondContact O-N 2.95Å; F177-V332 HydrophobicContact CE2-CG2 4.22Å; F177-V332 HydrophobicContact CZ-CG2 4.24Å; W184-V332 HydrophobicContact CH2-CB 4.4Å; W184-V332 HydrophobicContact CH2-CG1 3.85Å; W184-V332 HydrophobicContact CH2-CG2 4.11Å; W184-V332 HydrophobicContact CZ2-CB 3.89Å; W184-V332 HydrophobicContact CZ2-CG1 3.62Å; W184-V332 HydrophobicContact CZ2-CG2 3.83Å; Y226-V332 HydrophobicContact CE1-CG1 4.09Å; Y226-V332 PolarHBondContact OH-O 3.38Å; L238-V332 HydrophobicContact CD1-CG1 4.4Å; S239-V332 CarbonylContact O-C 3.48Å; S239-V332 WeakPolarHBondContact O-CA 3.37Å; F240-V332 HydrophobicContact CB-CB 4.27Å; F240-V332 HydrophobicContact CB-CG1 4.25Å; F240-V332 HydrophobicContact CB-CG2 3.91Å; I317-V332 HydrophobicContact CD1-CG1 4.48Å; L329-V332 HydrophobicContact CD1-CG2 4.09Å; L329-V332 HydrophobicContact CD2-CG2 3.86Å; L329-V332 HydrophobicContact CG-CG2 3.89Å; D330-V332 PolarHBondContact O-N 3.3Å
333	N	96.2	Very high	87.1	Confident	33 Å²	33	55.7 Å²	55.7	18%	0.176	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	124.9	-175.9	172.2	71.4	0	0	0	110.8	N172 V173 S239	N172-N333 WeakPolarHBondContact CB-OD1 3.37Å; V173-N333 CarbonylContact O-C 3.5Å; V173-N333 WeakPolarHBondContact O-CA 3.12Å; S239-N333 PolarHBondContact N-O 2.98Å; S239-N333 PolarHBondContact O-N 2.85Å; S239-N333 PolarHBondContact OG-O 2.94Å
334	L	96.3	Very high	87.5	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.2	174.7	171.5	62.3	0	0	0	109	V173 Y226 K230 L238 L288	V173-L334 HydrophobicContact CB-CB 4.34Å; V173-L334 PolarHBondContact N-O 3.44Å; V173-L334 PolarHBondContact O-N 2.76Å; Y226-L334 HydrophobicContact CD1-CB 3.78Å; Y226-L334 HydrophobicContact CD1-CD2 3.94Å; Y226-L334 HydrophobicContact CE1-CB 3.74Å; K230-L334 HydrophobicContact CD-CD2 4.13Å; K230-L334 HydrophobicContact CG-CD2 4.27Å; L238-L334 HydrophobicContact CB-CD1 4.31Å; L238-L334 HydrophobicContact CD1-CB 4.14Å; L238-L334 HydrophobicContact CD1-CD1 4.46Å; L288-L334 HydrophobicContact CD1-CD1 3.45Å; L288-L334 VanDerWaalsContact CD1-CD1 3.45Å
335	V	94.4	Very high	87.9	Confident	27 Å²	27	49.1 Å²	49.1	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.2	176	179.7	0	0	0	0	109.7	V170 S233 Q236 N237 W347	V170-V335 HydrophobicContact CG1-CG1 4.35Å; S233-V335 WeakPolarHBondContact CA-O 3.47Å; S233-V335 WeakPolarHBondContact CB-O 3.4Å; S233-V335 PolarHBondContact OG-O 2.89Å; Q236-V335 HydrophobicContact CB-CB 4.01Å; Q236-V335 HydrophobicContact CB-CG1 4.08Å; Q236-V335 HydrophobicContact CG-CG1 4.27Å; N237-V335 PolarHBondContact O-N 3.16Å; V335-W347 HydrophobicContact CG1-CH2 4.14Å; V335-W347 HydrophobicContact CG1-CZ2 4.28Å
336	S	93.3	Very high	87.7	Confident	8 Å²	8	51.8 Å²	51.8	6%	0.056	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	-170.1	-178.8	-148.7	0	0	0	0	110.6	H171 S233 W347	H171-S336 PolarHBondContact N-O 3.46Å; H171-S336 CarbonylContact O-C 3.42Å; H171-S336 VanDerWaalsContact O-C 3.28Å; H171-S336 VanDerWaalsContact O-CA 3.27Å; H171-S336 WeakPolarHBondContact O-CA 3.46Å; H171-S336 WeakPolarHBondContact O-CB 3.43Å; H171-S336 PolarHBondContact O-N 2.91Å; H171-S336 VanDerWaalsContact O-O 3.1Å; S233-S336 WeakPolarHBondContact OG-CA 3.31Å; S233-S336 WeakPolarHBondContact OG-CB 3.37Å; S233-S336 PolarHBondContact OG-OG 3.18Å; S336-W347 WeakPolarHBondContact O-CZ2 3.22Å
337	A	88	Confident	87.4	Confident	8 Å²	8	50.6 Å²	50.6	7%	0.066	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.6	173.8	0	0	0	0	0	112	S169 L232 A345 W347 V348	S169-A337 CarbonylContact O-C 3.46Å; S169-A337 VanDerWaalsContact O-CA 3.25Å; S169-A337 WeakPolarHBondContact O-CA 3.46Å; L232-A337 HydrophobicContact CB-CB 4.21Å; L232-A337 HydrophobicContact CD1-CB 4.44Å; L232-A337 WeakPolarHBondContact CD1-O 3.46Å; A337-A345 HydrophobicContact CB-CB 3.53Å; A337-W347 HydrophobicContact CB-CZ2 4.14Å; A337-V348 HydrophobicContact CB-CG2 3.67Å
338	R	87.4	Confident	87.2	Confident	133 Å²	133	50.7 Å²	50.7	50%	0.502	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	163.8	172.1	69.5	-174	-179.8	-173.4	10.9	110.5	F168 S169 H171	F168-R338 CarbonylContact C-O 3.57Å; F168-R338 VanDerWaalsContact CA-O 3.26Å; F168-R338 WeakPolarHBondContact CA-O 3.36Å; S169-R338 PolarHBondContact N-O 3.18Å; S169-R338 PolarHBondContact O-N 3.5Å; H171-R338 HydrophobicContact CB-CB 4.24Å; H171-R338 HydrophobicContact CB-CG 3.98Å; H171-R338 PolarHBondContact CD2-NH1 3.44Å; H171-R338 PolarHBondContact NE2-NH1 2.88Å; H171-R338 VanDerWaalsContact NE2-NH1 3.11Å
339	R	86.1	Confident	86.7	Confident	160 Å²	160	51.8 Å²	51.8	60%	0.604	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.3	168.7	-71.5	-175.7	175.9	179.8	0.1	110.3	G167 F168 D360	G167-R339 WeakPolarHBondContact O-CA 3.49Å; F168-R339 HydrophobicContact CD1-CG 4.01Å; F168-R339 HydrophobicContact CE1-CG 3.65Å; F168-R339 HydrophobicContact CE2-CG 4.23Å; F168-R339 HydrophobicContact CG-CG 4.45Å; F168-R339 HydrophobicContact CZ-CG 3.78Å; R339-D360 IonicContact CZ-OD2 2.63Å; R339-D360 IonicContact NH2-OD1 3.18Å; R339-D360 IonicContact NH2-OD2 2.76Å; R339-D360 PolarHBondContact NH2-OD2 2.92Å
340	G	80.1	Confident	86.1	Confident	41 Å²	41	53 Å²	53	42%	0.423	31%	0.312	S	S	.	.	S	Bend	trans	110.4	175.8	178.3	0	0	0	0	0	113.9	G167 S169	G167-G340 PolarHBondContact O-N 3.06Å; G167-G340 VanDerWaalsContact O-N 3.11Å; S169-G340 WeakPolarHBondContact CB-O 3.16Å; S169-G340 PolarHBondContact OG-O 3.08Å
341	D	71.6	Confident	85.8	Confident	166 Å²	166	53 Å²	53	89%	0.888	31%	0.313	S	S	*	.	S	Bend	trans	-67.3	144.7	-168	-62.2	-56.3	0	0	0	114.7	S169	S169-D341 PolarHBondContact OG-O 2.97Å
342	G	79.3	Confident	85.7	Confident	61 Å²	61	53.4 Å²	53.4	63%	0.629	32%	0.319	S	S	*	.	S	Bend	trans	154.6	-164.8	178.5	0	0	0	0	0	112.7	A344	G342-A344 PolarHBondContact O-N 3.36Å
343	V	82.4	Confident	85.3	Confident	114 Å²	114	55.1 Å²	55.1	69%	0.691	33%	0.33	S	S	*	.	S	Bend	trans	-65.8	124.7	172.6	-179.6	0	0	0	0	108.6	S169 V170 A345	S169-V343 CarbonylContact C-O 3.45Å; S169-V343 WeakPolarHBondContact CA-O 3.39Å; V170-V343 HydrophobicContact CG2-CB 4.23Å; V170-V343 HydrophobicContact CG2-CG1 4.19Å; V170-V343 WeakPolarHBondContact CG2-O 3.21Å; V170-V343 PolarHBondContact N-O 2.97Å; V343-A345 PolarHBondContact O-N 2.81Å
344	A	82.5	Confident	84.9	Confident	79 Å²	79	55.7 Å²	55.7	65%	0.653	34%	0.335	S	S	*	.	B	Isolated β-bridge	trans	-64	126.3	-173.3	0	0	0	0	0	113	F168 G342 G346	F168-A344 WeakPolarHBondContact O-CA 3.47Å; G342-A344 PolarHBondContact O-N 3.36Å; A344-G346 VanDerWaalsContact C-N 3.28Å; A344-G346 PolarHBondContact O-N 3.16Å
345	A	84.8	Confident	84.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.008	37%	0.372	C	S	.	.			trans	-80.9	69.9	178.5	0	0	0	0	0	111.3	F168 V170 A337 V343 W347 V348	F168-A345 HydrophobicContact CB-CB 4.21Å; F168-A345 PolarHBondContact O-N 3.28Å; V170-A345 HydrophobicContact CG2-CB 4.37Å; A337-A345 HydrophobicContact CB-CB 3.53Å; V343-A345 PolarHBondContact O-N 2.81Å; A345-W347 HydrophobicContact CB-CD2 4.29Å; A345-W347 HydrophobicContact CB-CE3 4.23Å; A345-W347 HydrophobicContact CB-CH2 3.91Å; A345-W347 HydrophobicContact CB-CZ2 3.91Å; A345-W347 HydrophobicContact CB-CZ3 4.05Å; A345-W347 PolarHBondContact O-N 3.27Å; A345-V348 HydrophobicContact CB-CG2 3.97Å; A345-V348 PolarHBondContact O-N 2.97Å
346	G	77.3	Confident	83.9	Confident	59 Å²	59	60 Å²	60	61%	0.608	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	2.3	-171.9	0	0	0	0	0	117.2	A344	A344-G346 VanDerWaalsContact C-N 3.28Å; A344-G346 PolarHBondContact O-N 3.16Å
347	W	82.4	Confident	83.7	Confident	59 Å²	59	61.4 Å²	61.4	22%	0.223	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.7	169.1	65.5	90.6	0	0	0	113.4	V170 L232 Q236 V335 S336 A337 A345 Q349	V170-W347 HydrophobicContact CB-CH2 4.19Å; V170-W347 HydrophobicContact CG1-CH2 4.04Å; V170-W347 HydrophobicContact CG2-CH2 3.55Å; V170-W347 HydrophobicContact CG2-CZ3 3.77Å; L232-W347 PolarHBondContact O-NE1 3.41Å; Q236-W347 VanDerWaalsContact CD-CE2 3.4Å; Q236-W347 HydrophobicContact CG-CD2 4.31Å; Q236-W347 HydrophobicContact CG-CZ2 3.87Å; V335-W347 HydrophobicContact CG1-CH2 4.14Å; V335-W347 HydrophobicContact CG1-CZ2 4.28Å; S336-W347 WeakPolarHBondContact O-CZ2 3.22Å; A337-W347 HydrophobicContact CB-CZ2 4.14Å; A345-W347 HydrophobicContact CB-CD2 4.29Å; A345-W347 HydrophobicContact CB-CE3 4.23Å; A345-W347 HydrophobicContact CB-CH2 3.91Å; A345-W347 HydrophobicContact CB-CZ2 3.91Å; A345-W347 HydrophobicContact CB-CZ3 4.05Å; A345-W347 PolarHBondContact O-N 3.27Å; W347-Q349 PolarHBondContact O-N 3.48Å
348	V	84.3	Confident	83.6	Confident	4 Å²	4	64 Å²	64	2%	0.024	38%	0.38	C	S	.	.			trans	-73.9	112.5	175.4	-176.8	0	0	0	0	108.5	R165 F168 L232 A337 A345 F361	R165-V348 PolarHBondContact N-O 3.46Å; F168-V348 HydrophobicContact CB-CB 4.24Å; F168-V348 HydrophobicContact CB-CG1 4.44Å; F168-V348 HydrophobicContact CB-CG2 4.08Å; F168-V348 HydrophobicContact CD1-CG1 4.15Å; F168-V348 HydrophobicContact CD1-CG2 4.38Å; F168-V348 HydrophobicContact CD2-CB 4.37Å; F168-V348 HydrophobicContact CD2-CG1 3.75Å; F168-V348 HydrophobicContact CE1-CG1 4.3Å; F168-V348 HydrophobicContact CE2-CG1 3.92Å; F168-V348 HydrophobicContact CG-CB 4.22Å; F168-V348 HydrophobicContact CG-CG1 3.87Å; F168-V348 HydrophobicContact CG-CG2 4.23Å; F168-V348 HydrophobicContact CZ-CG1 4.19Å; L232-V348 HydrophobicContact CD2-CG1 4.12Å; L232-V348 HydrophobicContact CD2-CG2 4.25Å; A337-V348 HydrophobicContact CB-CG2 3.67Å; A345-V348 HydrophobicContact CB-CG2 3.97Å; A345-V348 PolarHBondContact O-N 2.97Å; V348-F361 HydrophobicContact CG1-CZ 4.21Å
349	Q	80.3	Confident	83.5	Confident	45 Å²	45	59.3 Å²	59.3	21%	0.21	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.3	-179.3	-63.9	163.1	-44.6	0	0	109.7	C162 S163 W347 F361	C162-Q349 HydrophobicContact CB-CB 3.95Å; C162-Q349 VanDerWaalsContact SG-CB 3.57Å; S163-Q349 CarbonylContact O-C 3.41Å; S163-Q349 VanDerWaalsContact O-CA 3.25Å; S163-Q349 WeakPolarHBondContact O-CA 3.45Å; W347-Q349 PolarHBondContact O-N 3.48Å; Q349-F361 WeakPolarHBondContact O-CE1 3.25Å
350	T	81.6	Confident	83.3	Confident	25 Å²	25	52.8 Å²	52.8	15%	0.153	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.9	168.3	-98.4	0	0	0	0	111	C162 S163 R165 D360	C162-T350 CarbonylContact C-O 3.52Å; C162-T350 WeakPolarHBondContact CA-O 3.29Å; C162-T350 WeakPolarHBondContact CB-O 3.21Å; S163-T350 PolarHBondContact N-O 3.36Å; S163-T350 PolarHBondContact O-N 3.48Å; R165-T350 WeakPolarHBondContact CD-OG1 3.47Å; R165-T350 PolarHBondContact NH1-OG1 2.85Å; T350-D360 CarbonylContact C-O 3.54Å; T350-D360 WeakPolarHBondContact CA-O 3.5Å; T350-D360 VanDerWaalsContact CB-O 3.3Å; T350-D360 WeakPolarHBondContact CB-O 3.42Å; T350-D360 WeakPolarHBondContact CG2-O 3.44Å; T350-D360 PolarHBondContact OG1-O 2.96Å
351	C	87.1	Confident	83.6	Confident	10 Å²	10	52.3 Å²	52.3	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.7	-173.8	-64.7	0	0	0	0	113.2	F154 C155 D360 C362	F154-C351 PolarHBondContact O-SG 3.49Å; C155-C351 WeakPolarHBondContact CA-SG 3.4Å; C155-C351 HydrophobicContact CB-CB 3.68Å; C155-C351 WeakPolarHBondContact CB-SG 3.43Å; C155-C351 WeakPolarHBondContact SG-CB 3.39Å; C155-C351 CovalentContact SG-SG 2.02Å; C155-C351 PolarHBondContact SG-SG 2.93Å; C351-D360 PolarHBondContact N-O 3.18Å; C351-C362 WeakPolarHBondContact CB-SG 3.4Å
352	T	88.3	Confident	84.3	Confident	87 Å²	87	44.4 Å²	44.4	53%	0.534	29%	0.294	S	S	.	.			trans	-90.5	104.9	164.9	-54.1	0	0	0	0	107.3	S159 R161	S159-T352 WeakPolarHBondContact CB-O 3.26Å; S159-T352 PolarHBondContact OG-O 2.89Å; R161-T352 PolarHBondContact O-N 3.39Å
353	C	87.9	Confident	84.7	Confident	37 Å²	37	43.9 Å²	43.9	25%	0.25	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-80.1	140.7	-171.4	-56	0	0	0	0	112.5	Y357 C362	C353-Y357 WeakPolarHBondContact CB-O 3.37Å; C353-C362 WeakPolarHBondContact CA-SG 3.47Å; C353-C362 HydrophobicContact CB-CB 3.91Å; C353-C362 WeakPolarHBondContact CB-SG 3.23Å; C353-C362 WeakPolarHBondContact SG-CA 3.38Å; C353-C362 WeakPolarHBondContact SG-CB 3.46Å; C353-C362 CovalentContact SG-SG 2.04Å; C353-C362 PolarHBondContact SG-SG 3.26Å
354	P	87.1	Confident	85	Confident	44 Å²	44	45.3 Å²	45.3	29%	0.286	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-71.4	165.8	172.3	32.6	-35.9	0	0	0	110.8	H158 G356 Y357	H158-P354 HydrophobicContact CB-CG 4.44Å; H158-P354 WeakPolarHBondContact O-CD 3.32Å; H158-P354 VanDerWaalsContact O-CG 3.32Å; H158-P354 WeakPolarHBondContact O-CG 3.39Å; P354-G356 PolarHBondContact O-N 3.31Å; P354-Y357 HydrophobicContact CG-CD2 3.6Å; P354-Y357 HydrophobicContact CG-CE2 3.95Å; P354-Y357 HydrophobicContact CG-CG 4.25Å; P354-Y357 PolarHBondContact O-N 3.11Å
355	P	85.2	Confident	85.2	Confident	118 Å²	118	41.7 Å²	41.7	77%	0.766	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	129.8	175.1	-26	35.3	0	0	0	111.6
356	G	85.1	Confident	85.3	Confident	2 Å²	2	42.8 Å²	42.8	2%	0.021	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-2.6	-176.7	0	0	0	0	0	115.9	P354 C365 S366 C382	P354-G356 PolarHBondContact O-N 3.31Å; G356-C365 CarbonylContact O-C 3.57Å; G356-C365 VanDerWaalsContact O-CA 3.24Å; G356-C365 WeakPolarHBondContact O-CA 3.47Å; G356-S366 WeakPolarHBondContact CA-OG 3.4Å; G356-S366 PolarHBondContact N-OG 3.34Å; G356-S366 PolarHBondContact O-N 2.97Å; G356-C382 WeakPolarHBondContact O-CB 3.33Å
357	Y	89.1	Confident	85.5	Confident	37 Å²	37	44.2 Å²	44.2	15%	0.145	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147	-175.3	-55.3	-107.2	0	0	0	111.6	H158 C353 P354 R364 S366 A381 C382	H158-Y357 HydrophobicContact CB-CD1 3.91Å; H158-Y357 HydrophobicContact CB-CE1 3.87Å; H158-Y357 HydrophobicContact CB-CG 4.4Å; H158-Y357 AromaticContact CD2-CD1 3.59Å; H158-Y357 AromaticContact CD2-CE1 3.59Å; H158-Y357 AromaticContact CE1-CE1 3.67Å; H158-Y357 AromaticContact CG-CD1 3.57Å; H158-Y357 AromaticContact CG-CE1 3.29Å; H158-Y357 AromaticContact ND1-CE1 3.36Å; H158-Y357 WeakPolarHBondContact ND1-CE1 3.07Å; H158-Y357 AromaticContact ND1-CZ 3.91Å; H158-Y357 AromaticContact NE2-CE1 3.8Å; C353-Y357 WeakPolarHBondContact CB-O 3.37Å; P354-Y357 HydrophobicContact CG-CD2 3.6Å; P354-Y357 HydrophobicContact CG-CE2 3.95Å; P354-Y357 HydrophobicContact CG-CG 4.25Å; P354-Y357 PolarHBondContact O-N 3.11Å; Y357-R364 CarbonylContact C-O 3.27Å; Y357-R364 VanDerWaalsContact CA-O 3.31Å; Y357-R364 WeakPolarHBondContact CA-O 3.5Å; Y357-S366 PolarHBondContact N-OG 2.85Å; Y357-A381 VanDerWaalsContact OH-CA 3.24Å; Y357-A381 WeakPolarHBondContact OH-CA 3.34Å; Y357-C382 HydrophobicContact CD1-CB 4Å; Y357-C382 VanDerWaalsContact CD1-SG 3.52Å; Y357-C382 HydrophobicContact CD2-CB 4.3Å; Y357-C382 HydrophobicContact CE1-CB 3.68Å; Y357-C382 WeakPolarHBondContact CE1-SG 3.34Å; Y357-C382 HydrophobicContact CE2-CB 4.01Å; Y357-C382 HydrophobicContact CG-CB 4.31Å; Y357-C382 VanDerWaalsContact CZ-N 3.3Å; Y357-C382 PolarHBondContact OH-N 2.91Å
358	E	86	Confident	85.3	Confident	63 Å²	63	42 Å²	42	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	170.1	-179.9	70.4	177.3	-147.9	0	0	111.7	C362 E363 R364 S366	E358-C362 CarbonylContact O-C 3.6Å; E358-C362 VanDerWaalsContact O-CA 3.32Å; E358-C362 WeakPolarHBondContact O-CA 3.07Å; E358-E363 PolarHBondContact O-N 3.07Å; E358-R364 HydrophobicContact CG-CB 3.57Å; E358-R364 PolarHBondContact N-O 3.16Å; E358-R364 PolarHBondContact O-N 3.49Å; E358-R364 VanDerWaalsContact O-N 3.08Å; E358-R364 IonicContact OE1-CZ 3.28Å; E358-R364 IonicContact OE1-NE 2.66Å; E358-R364 PolarHBondContact OE1-NE 3.09Å; E358-R364 IonicContact OE1-NH2 3.74Å; E358-R364 PolarHBondContact OE1-NH2 3.01Å; E358-S366 WeakPolarHBondContact OE2-CA 3.39Å
359	G	84.6	Confident	85.3	Confident	34 Å²	34	44.1 Å²	44.1	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	111.8	178.1	179.3	0	0	0	0	0	113.5	F361 E363	G359-F361 PolarHBondContact O-N 3.5Å; G359-E363 WeakPolarHBondContact CA-OE1 3.38Å; G359-E363 WeakPolarHBondContact CA-OE2 3.48Å
360	D	81.8	Confident	85.6	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.118	26%	0.259	C	S	.	.	S	Bend	trans	-70.4	-25	-178.4	-78.5	11.1	0	0	0	112	R165 R339 T350 C351 E363	R165-D360 IonicContact CZ-OD1 3.77Å; R165-D360 IonicContact CZ-OD2 3.04Å; R165-D360 IonicContact NE-OD2 3.05Å; R165-D360 IonicContact NH1-OD1 3.32Å; R165-D360 PolarHBondContact NH1-OD1 3.46Å; R165-D360 IonicContact NH1-OD2 3.34Å; R165-D360 PolarHBondContact NH1-OD2 3.24Å; R165-D360 VanDerWaalsContact NH2-CG 3.28Å; R165-D360 IonicContact NH2-OD1 2.78Å; R165-D360 PolarHBondContact NH2-OD1 2.79Å; R165-D360 IonicContact NH2-OD2 2.78Å; R165-D360 PolarHBondContact NH2-OD2 3.04Å; R165-D360 VanDerWaalsContact NH2-OD2 3.16Å; R339-D360 IonicContact CZ-OD2 2.63Å; R339-D360 IonicContact NH2-OD1 3.18Å; R339-D360 IonicContact NH2-OD2 2.76Å; R339-D360 PolarHBondContact NH2-OD2 2.92Å; T350-D360 CarbonylContact C-O 3.54Å; T350-D360 WeakPolarHBondContact CA-O 3.5Å; T350-D360 VanDerWaalsContact CB-O 3.3Å; T350-D360 WeakPolarHBondContact CB-O 3.42Å; T350-D360 WeakPolarHBondContact CG2-O 3.44Å; T350-D360 PolarHBondContact OG1-O 2.96Å; C351-D360 PolarHBondContact N-O 3.18Å; D360-E363 PolarHBondContact N-OE1 3.02Å; D360-E363 VanDerWaalsContact N-OE1 3.08Å; D360-E363 PolarHBondContact N-OE2 3.41Å; D360-E363 VanDerWaalsContact N-OE2 3.08Å
361	F	86.6	Confident	85.8	Confident	32 Å²	32	44.8 Å²	44.8	14%	0.14	25%	0.253	C	S	.	.	S	Bend	trans	-133.6	17.9	-173.8	-54.3	-83.7	0	0	0	111.7	C155 Y156 L232 V348 Q349 G359 E363	C155-F361 CarbonylContact C-O 3.41Å; C155-F361 WeakPolarHBondContact CA-O 3.11Å; Y156-F361 HydrophobicContact CD2-CB 4.15Å; Y156-F361 WeakPolarHBondContact CD2-O 3.35Å; Y156-F361 HydrophobicContact CE2-CB 4.01Å; L232-F361 HydrophobicContact CD2-CZ 3.92Å; V348-F361 HydrophobicContact CG1-CZ 4.21Å; Q349-F361 WeakPolarHBondContact O-CE1 3.25Å; G359-F361 PolarHBondContact O-N 3.5Å; F361-E363 VanDerWaalsContact C-OE2 3.24Å; F361-E363 VanDerWaalsContact CA-OE2 3.27Å; F361-E363 WeakPolarHBondContact CA-OE2 3.41Å; F361-E363 WeakPolarHBondContact CB-OE2 3.49Å; F361-E363 PolarHBondContact N-OE2 2.83Å; F361-E363 PolarHBondContact O-N 3.38Å
362	C	87.6	Confident	85.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	59.2	29.3	-173.6	-44.2	0	0	0	0	114.2	C155 H158 C351 C353 E358 R364	C155-C362 HydrophobicContact CB-CB 4.49Å; H158-C362 HydrophobicContact CB-CB 4.4Å; H158-C362 PolarHBondContact CD2-O 2.8Å; C351-C362 WeakPolarHBondContact CB-SG 3.4Å; C353-C362 WeakPolarHBondContact CA-SG 3.47Å; C353-C362 HydrophobicContact CB-CB 3.91Å; C353-C362 WeakPolarHBondContact CB-SG 3.23Å; C353-C362 WeakPolarHBondContact SG-CA 3.38Å; C353-C362 WeakPolarHBondContact SG-CB 3.46Å; C353-C362 CovalentContact SG-SG 2.04Å; C353-C362 PolarHBondContact SG-SG 3.26Å; E358-C362 CarbonylContact O-C 3.6Å; E358-C362 VanDerWaalsContact O-CA 3.32Å; E358-C362 WeakPolarHBondContact O-CA 3.07Å; C362-R364 VanDerWaalsContact C-N 3.26Å; C362-R364 PolarHBondContact O-N 2.79Å
363	E	86.8	Confident	85.1	Confident	49 Å²	49	49.1 Å²	49.1	23%	0.229	27%	0.266	C	S	.	.			trans	-69.2	-17.8	-176.1	64	-87.6	-157.3	0	0	114.2	Y156 E358 G359 D360 F361 R371 A378	Y156-E363 HydrophobicContact CD2-CB 3.81Å; Y156-E363 HydrophobicContact CE2-CB 3.46Å; Y156-E363 VanDerWaalsContact CE2-CB 3.46Å; E358-E363 PolarHBondContact O-N 3.07Å; G359-E363 WeakPolarHBondContact CA-OE1 3.38Å; G359-E363 WeakPolarHBondContact CA-OE2 3.48Å; D360-E363 PolarHBondContact N-OE1 3.02Å; D360-E363 VanDerWaalsContact N-OE1 3.08Å; D360-E363 PolarHBondContact N-OE2 3.41Å; D360-E363 VanDerWaalsContact N-OE2 3.08Å; F361-E363 VanDerWaalsContact C-OE2 3.24Å; F361-E363 VanDerWaalsContact CA-OE2 3.27Å; F361-E363 WeakPolarHBondContact CA-OE2 3.41Å; F361-E363 WeakPolarHBondContact CB-OE2 3.49Å; F361-E363 PolarHBondContact N-OE2 2.83Å; F361-E363 PolarHBondContact O-N 3.38Å; E363-R371 PolarHBondContact O-NH2 3.17Å; E363-A378 HydrophobicContact CB-CB 4.27Å; E363-A378 WeakPolarHBondContact O-CB 3.31Å
364	R	88.1	Confident	84.3	Confident	145 Å²	145	50.4 Å²	50.4	55%	0.547	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	156	-175.6	-76.3	158.8	59.9	114.5	1	110.7	Y357 E358 C362	Y357-R364 CarbonylContact C-O 3.27Å; Y357-R364 VanDerWaalsContact CA-O 3.31Å; Y357-R364 WeakPolarHBondContact CA-O 3.5Å; E358-R364 HydrophobicContact CG-CB 3.57Å; E358-R364 PolarHBondContact N-O 3.16Å; E358-R364 PolarHBondContact O-N 3.49Å; E358-R364 VanDerWaalsContact O-N 3.08Å; E358-R364 IonicContact OE1-CZ 3.28Å; E358-R364 IonicContact OE1-NE 2.66Å; E358-R364 PolarHBondContact OE1-NE 3.09Å; E358-R364 IonicContact OE1-NH2 3.74Å; E358-R364 PolarHBondContact OE1-NH2 3.01Å; C362-R364 VanDerWaalsContact C-N 3.26Å; C362-R364 PolarHBondContact O-N 2.79Å
365	C	87.2	Confident	83	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.014	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.6	163.4	-53.1	0	0	0	0	109.4	G356 F369 R371 C382 P394	G356-C365 CarbonylContact O-C 3.57Å; G356-C365 VanDerWaalsContact O-CA 3.24Å; G356-C365 WeakPolarHBondContact O-CA 3.47Å; C365-F369 HydrophobicContact CB-CB 4.2Å; C365-F369 WeakPolarHBondContact CB-O 3.41Å; C365-R371 VanDerWaalsContact SG-CG 3.56Å; C365-C382 WeakPolarHBondContact CA-SG 3.24Å; C365-C382 HydrophobicContact CB-CB 3.66Å; C365-C382 WeakPolarHBondContact CB-SG 3.48Å; C365-C382 WeakPolarHBondContact SG-CB 3.39Å; C365-C382 CovalentContact SG-SG 2.03Å; C365-C382 PolarHBondContact SG-SG 2.94Å; C365-P394 HydrophobicContact CB-CB 4.27Å
366	S	86.4	Confident	82.1	Confident	25 Å²	25	51.2 Å²	51.2	18%	0.175	28%	0.284	C	S	.	.			trans	-72.3	158.9	174.1	65.9	0	0	0	0	111.1	G356 Y357 E358 G368 F369	G356-S366 WeakPolarHBondContact CA-OG 3.4Å; G356-S366 PolarHBondContact N-OG 3.34Å; G356-S366 PolarHBondContact O-N 2.97Å; Y357-S366 PolarHBondContact N-OG 2.85Å; E358-S366 WeakPolarHBondContact OE2-CA 3.39Å; S366-G368 PolarHBondContact O-N 3.05Å; S366-F369 PolarHBondContact O-N 3.19Å
367	A	81.4	Confident	81.7	Confident	89 Å²	89	52.5 Å²	52.5	74%	0.736	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	130.3	174.2	0	0	0	0	0	112.3
368	G	78.5	Confident	81.3	Confident	11 Å²	11	51.7 Å²	51.7	11%	0.113	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	10.9	-175.7	0	0	0	0	0	116.4	S366 C385 G390	S366-G368 PolarHBondContact O-N 3.05Å; G368-C385 PolarHBondContact O-N 3.44Å; G368-C385 PolarHBondContact O-SG 2.75Å; G368-G390 CarbonylContact C-O 3.5Å; G368-G390 WeakPolarHBondContact CA-O 3.42Å
369	F	85.9	Confident	81	Confident	50 Å²	50	50.8 Å²	50.8	22%	0.219	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.3	172.4	-66.7	-113.2	0	0	0	110.8	C365 S366 C382 E383 P384	C365-F369 HydrophobicContact CB-CB 4.2Å; C365-F369 WeakPolarHBondContact CB-O 3.41Å; S366-F369 PolarHBondContact O-N 3.19Å; F369-C382 HydrophobicContact CB-CB 4.22Å; F369-E383 CarbonylContact C-O 3.59Å; F369-E383 WeakPolarHBondContact CA-O 3.36Å; F369-E383 VanDerWaalsContact CD1-C 3.49Å; F369-P384 HydrophobicContact CD1-CB 4.48Å; F369-P384 HydrophobicContact CD1-CG 4.1Å; F369-P384 HydrophobicContact CE1-CB 4.31Å; F369-P384 HydrophobicContact CE1-CG 3.67Å; F369-P384 HydrophobicContact CZ-CG 4.31Å
370	R	86.3	Confident	81	Confident	72 Å²	72	49.4 Å²	49.4	27%	0.272	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	157.9	178	67.1	176.3	-168	98	3	111.6	C382 E383 D393 P394	R370-C382 CarbonylContact O-C 3.42Å; R370-C382 VanDerWaalsContact O-CA 3.29Å; R370-C382 WeakPolarHBondContact O-CA 3.46Å; R370-E383 PolarHBondContact N-O 3.16Å; R370-E383 PolarHBondContact O-N 3.23Å; R370-D393 WeakPolarHBondContact CB-O 3.2Å; R370-P394 CarbonylContact C-O 3.53Å; R370-P394 WeakPolarHBondContact CA-O 3.38Å
371	R	85.9	Confident	81.1	Confident	11 Å²	11	49.7 Å²	49.7	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	133.8	170.3	-69.7	-171.8	-166.2	-61.6	-2.4	111.3	E363 C365 A373 P374 G377 A381 P394 Q395	E363-R371 PolarHBondContact O-NH2 3.17Å; C365-R371 VanDerWaalsContact SG-CG 3.56Å; R371-A373 VanDerWaalsContact C-N 3.34Å; R371-P374 HydrophobicContact CB-CG 4.3Å; R371-G377 VanDerWaalsContact CD-O 3.26Å; R371-G377 WeakPolarHBondContact CD-O 3.28Å; R371-G377 PolarHBondContact NE-O 3.26Å; R371-G377 PolarHBondContact NH1-O 3.46Å; R371-A381 WeakPolarHBondContact CA-O 3.4Å; R371-P394 PolarHBondContact N-O 2.94Å; R371-Q395 VanDerWaalsContact CD-OE1 3.23Å
372	R	82.6	Confident	81.2	Confident	153 Å²	153	48.7 Å²	48.7	58%	0.577	28%	0.28	S	S	*	.	S	Bend	trans	-61.6	-42.8	168.2	-176.8	-175	-69.5	156.1	-0.9	111.6	S380 A381 E383	R372-S380 PolarHBondContact N-OG 3Å; R372-A381 PolarHBondContact N-O 2.91Å; R372-E383 HydrophobicContact CB-CG 4.22Å; R372-E383 WeakPolarHBondContact CB-OE2 3.42Å; R372-E383 VanDerWaalsContact CG-OE2 3.28Å; R372-E383 WeakPolarHBondContact CG-OE2 3.29Å; R372-E383 IonicContact CZ-OE1 2.62Å; R372-E383 IonicContact NE-OE1 2.83Å; R372-E383 PolarHBondContact NE-OE1 2.9Å; R372-E383 IonicContact NE-OE2 3.84Å; R372-E383 PolarHBondContact NE-OE2 3.46Å; R372-E383 IonicContact NH2-OE1 3.81Å; R372-E383 PolarHBondContact NH2-OE1 3.41Å
373	A	78.1	Confident	81.2	Confident	36 Å²	36	51.4 Å²	51.4	30%	0.298	29%	0.293	S	S	.	.			trans	-134.7	86.3	-175.9	0	0	0	0	0	110.1	R371 S375 S376 S380	R371-A373 VanDerWaalsContact C-N 3.34Å; A373-S375 PolarHBondContact O-N 2.8Å; A373-S375 VanDerWaalsContact O-N 3.1Å; A373-S376 WeakPolarHBondContact O-CB 3.33Å; A373-S376 PolarHBondContact O-N 3.36Å; A373-S380 PolarHBondContact N-OG 3.28Å; A373-S380 VanDerWaalsContact O-CB 3.3Å; A373-S380 WeakPolarHBondContact O-CB 3.38Å; A373-S380 PolarHBondContact O-OG 3.45Å
374	P	69.4	Low	81.1	Confident	64 Å²	64	53.2 Å²	53.2	42%	0.416	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-56.1	-31.7	-172.7	-27.9	36.8	0	0	0	114.3	R371 S376 G377 Q395	R371-P374 HydrophobicContact CB-CG 4.3Å; P374-S376 PolarHBondContact O-N 3.36Å; P374-G377 WeakPolarHBondContact O-CA 3.11Å; P374-G377 PolarHBondContact O-N 3.22Å; P374-Q395 WeakPolarHBondContact CG-O 3.42Å
375	S	61.4	Low	80.7	Confident	121 Å²	121	47 Å²	47	85%	0.846	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-60.5	-20.4	174.4	55.3	0	0	0	0	114.8	A373 G377	A373-S375 PolarHBondContact O-N 2.8Å; A373-S375 VanDerWaalsContact O-N 3.1Å; S375-G377 VanDerWaalsContact C-N 3.28Å
376	S	66.4	Low	80	Confident	58 Å²	58	52.4 Å²	52.4	41%	0.406	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-84.9	-1	172.7	-60.5	0	0	0	0	112.8	A373 P374 F379	A373-S376 WeakPolarHBondContact O-CB 3.33Å; A373-S376 PolarHBondContact O-N 3.36Å; P374-S376 PolarHBondContact O-N 3.36Å; S376-F379 WeakPolarHBondContact O-CB 3.39Å; S376-F379 PolarHBondContact O-N 2.93Å; S376-F379 VanDerWaalsContact O-N 3.12Å
377	G	76.9	Confident	79.2	Confident	28 Å²	28	52 Å²	52	29%	0.289	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	53.3	-137.8	177.5	0	0	0	0	0	112.7	R371 P374 S375 F379 S380	R371-G377 VanDerWaalsContact CD-O 3.26Å; R371-G377 WeakPolarHBondContact CD-O 3.28Å; R371-G377 PolarHBondContact NE-O 3.26Å; R371-G377 PolarHBondContact NH1-O 3.46Å; P374-G377 WeakPolarHBondContact O-CA 3.11Å; P374-G377 PolarHBondContact O-N 3.22Å; S375-G377 VanDerWaalsContact C-N 3.28Å; G377-F379 PolarHBondContact O-N 3.05Å; G377-S380 WeakPolarHBondContact O-CB 3.44Å; G377-S380 PolarHBondContact O-N 3.49Å
378	A	79.3	Confident	78.1	Confident	21 Å²	21	59.3 Å²	59.3	17%	0.174	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-56.5	-21.6	178.5	0	0	0	0	0	114.4	Y156 H158 E363	Y156-A378 WeakPolarHBondContact CB-O 3.41Å; Y156-A378 HydrophobicContact CD1-CB 3.32Å; Y156-A378 HydrophobicContact CD2-CB 4.25Å; Y156-A378 HydrophobicContact CE1-CB 3.34Å; Y156-A378 HydrophobicContact CE2-CB 4.28Å; Y156-A378 HydrophobicContact CG-CB 3.8Å; H158-A378 PolarHBondContact NE2-O 3.34Å; E363-A378 HydrophobicContact CB-CB 4.27Å; E363-A378 WeakPolarHBondContact O-CB 3.31Å
379	F	80.9	Confident	77.2	Confident	43 Å²	43	60.9 Å²	60.9	19%	0.189	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-81.9	-11.1	175.3	-57.2	-79.9	0	0	0	114.1	F154 Y156 H158 F303 K307 S376 G377	F154-F379 AromaticContact CE2-CE1 3.75Å; F154-F379 HydrophobicContact CE2-CE1 3.75Å; F154-F379 HydrophobicContact CE2-CZ 4.17Å; F154-F379 AromaticContact CZ-CE1 3.73Å; F154-F379 HydrophobicContact CZ-CE1 3.73Å; F154-F379 AromaticContact CZ-CZ 3.82Å; F154-F379 HydrophobicContact CZ-CZ 3.82Å; Y156-F379 AromaticContact CD1-CD1 3.75Å; Y156-F379 HydrophobicContact CD1-CD1 3.75Å; Y156-F379 HydrophobicContact CD1-CD2 4.16Å; Y156-F379 AromaticContact CD1-CE1 3.56Å; Y156-F379 HydrophobicContact CD1-CE1 3.56Å; Y156-F379 AromaticContact CD1-CE2 3.96Å; Y156-F379 HydrophobicContact CD1-CE2 3.96Å; Y156-F379 HydrophobicContact CD1-CG 4.07Å; Y156-F379 AromaticContact CD1-CZ 3.66Å; Y156-F379 HydrophobicContact CD1-CZ 3.66Å; Y156-F379 HydrophobicContact CE1-CE1 4.27Å; Y156-F379 HydrophobicContact CE1-CE2 4.1Å; Y156-F379 AromaticContact CE1-CZ 3.92Å; Y156-F379 HydrophobicContact CE1-CZ 3.92Å; Y156-F379 HydrophobicContact CG-CD1 4.44Å; Y156-F379 HydrophobicContact CG-CE1 4.39Å; H158-F379 PolarHBondContact CE1-O 2.87Å; F303-F379 HydrophobicContact CE1-CD1 4.42Å; F303-F379 AromaticContact CE2-CD1 3.51Å; F303-F379 HydrophobicContact CE2-CD1 3.51Å; F303-F379 AromaticContact CE2-CE1 3.83Å; F303-F379 HydrophobicContact CE2-CE1 3.83Å; F303-F379 AromaticContact CZ-CD1 3.4Å; F303-F379 HydrophobicContact CZ-CD1 3.4Å; F303-F379 VanDerWaalsContact CZ-CD1 3.4Å; F303-F379 AromaticContact CZ-CE1 3.88Å; F303-F379 HydrophobicContact CZ-CE1 3.88Å; F303-F379 HydrophobicContact CZ-CG 4.25Å; K307-F379 HydrophobicContact CB-CE1 4.24Å; K307-F379 HydrophobicContact CB-CE2 4.45Å; K307-F379 HydrophobicContact CB-CZ 3.76Å; K307-F379 HydrophobicContact CD-CE2 4.41Å; K307-F379 HydrophobicContact CD-CZ 4.42Å; K307-F379 HydrophobicContact CG-CE1 4.48Å; K307-F379 HydrophobicContact CG-CE2 3.92Å; K307-F379 HydrophobicContact CG-CZ 3.74Å; S376-F379 WeakPolarHBondContact O-CB 3.39Å; S376-F379 PolarHBondContact O-N 2.93Å; S376-F379 VanDerWaalsContact O-N 3.12Å; G377-F379 PolarHBondContact O-N 3.05Å
380	S	82.9	Confident	75.8	Confident	5 Å²	5	60.3 Å²	60.3	4%	0.035	36%	0.355	C	S	.	.	S	Bend	trans	-66.7	136.2	173	-179	0	0	0	0	110.6	H158 R372 A373 G377	H158-S380 PolarHBondContact CE1-O 2.85Å; R372-S380 PolarHBondContact N-OG 3Å; A373-S380 PolarHBondContact N-OG 3.28Å; A373-S380 VanDerWaalsContact O-CB 3.3Å; A373-S380 WeakPolarHBondContact O-CB 3.38Å; A373-S380 PolarHBondContact O-OG 3.45Å; G377-S380 WeakPolarHBondContact O-CB 3.44Å; G377-S380 PolarHBondContact O-N 3.49Å
381	A	84.5	Confident	74.7	Confident	29 Å²	29	58.2 Å²	58.2	24%	0.24	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-56.2	146.1	161.4	0	0	0	0	0	111.1	Y357 R371 R372	Y357-A381 VanDerWaalsContact OH-CA 3.24Å; Y357-A381 WeakPolarHBondContact OH-CA 3.34Å; R371-A381 WeakPolarHBondContact CA-O 3.4Å; R372-A381 PolarHBondContact N-O 2.91Å
382	C	89.6	Confident	74.2	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.6	173.7	-60.9	0	0	0	0	109.8	G356 Y357 C365 F369 R370	G356-C382 WeakPolarHBondContact O-CB 3.33Å; Y357-C382 HydrophobicContact CD1-CB 4Å; Y357-C382 VanDerWaalsContact CD1-SG 3.52Å; Y357-C382 HydrophobicContact CD2-CB 4.3Å; Y357-C382 HydrophobicContact CE1-CB 3.68Å; Y357-C382 WeakPolarHBondContact CE1-SG 3.34Å; Y357-C382 HydrophobicContact CE2-CB 4.01Å; Y357-C382 HydrophobicContact CG-CB 4.31Å; Y357-C382 VanDerWaalsContact CZ-N 3.3Å; Y357-C382 PolarHBondContact OH-N 2.91Å; C365-C382 WeakPolarHBondContact CA-SG 3.24Å; C365-C382 HydrophobicContact CB-CB 3.66Å; C365-C382 WeakPolarHBondContact CB-SG 3.48Å; C365-C382 WeakPolarHBondContact SG-CB 3.39Å; C365-C382 CovalentContact SG-SG 2.03Å; C365-C382 PolarHBondContact SG-SG 2.94Å; F369-C382 HydrophobicContact CB-CB 4.22Å; R370-C382 CarbonylContact O-C 3.42Å; R370-C382 VanDerWaalsContact O-CA 3.29Å; R370-C382 WeakPolarHBondContact O-CA 3.46Å
383	E	87.4	Confident	73.9	Confident	57 Å²	57	52.3 Å²	52.3	27%	0.266	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.1	-176.9	-65.8	-172	126.3	0	0	110.8	F369 R370 R372 C385	F369-E383 CarbonylContact C-O 3.59Å; F369-E383 WeakPolarHBondContact CA-O 3.36Å; F369-E383 VanDerWaalsContact CD1-C 3.49Å; R370-E383 PolarHBondContact N-O 3.16Å; R370-E383 PolarHBondContact O-N 3.23Å; R372-E383 HydrophobicContact CB-CG 4.22Å; R372-E383 WeakPolarHBondContact CB-OE2 3.42Å; R372-E383 VanDerWaalsContact CG-OE2 3.28Å; R372-E383 WeakPolarHBondContact CG-OE2 3.29Å; R372-E383 IonicContact CZ-OE1 2.62Å; R372-E383 IonicContact NE-OE1 2.83Å; R372-E383 PolarHBondContact NE-OE1 2.9Å; R372-E383 IonicContact NE-OE2 3.84Å; R372-E383 PolarHBondContact NE-OE2 3.46Å; R372-E383 IonicContact NH2-OE1 3.81Å; R372-E383 PolarHBondContact NH2-OE1 3.41Å; E383-C385 PolarHBondContact O-N 3Å
384	P	83.8	Confident	73.4	Confident	87 Å²	87	52.2 Å²	52.2	57%	0.565	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	137.2	177.6	-23.6	32.2	0	0	0	112.3	F369	F369-P384 HydrophobicContact CD1-CB 4.48Å; F369-P384 HydrophobicContact CD1-CG 4.1Å; F369-P384 HydrophobicContact CE1-CB 4.31Å; F369-P384 HydrophobicContact CE1-CG 3.67Å; F369-P384 HydrophobicContact CZ-CG 4.31Å
385	C	79.7	Confident	73.4	Confident	13 Å²	13	52.8 Å²	52.8	9%	0.088	33%	0.326	C	S	.	.			trans	-59.7	137.6	171.5	-62.6	0	0	0	0	111	G368 E383 C387 G390 C392	G368-C385 PolarHBondContact O-N 3.44Å; G368-C385 PolarHBondContact O-SG 2.75Å; E383-C385 PolarHBondContact O-N 3Å; C385-C387 HydrophobicContact CB-CB 4.25Å; C385-C387 PolarHBondContact O-N 3.23Å; C385-C387 VanDerWaalsContact O-N 3.1Å; C385-G390 WeakPolarHBondContact CB-O 3.31Å; C385-C392 HydrophobicContact CB-CB 3.55Å; C385-C392 WeakPolarHBondContact CB-SG 3.29Å; C385-C392 VanDerWaalsContact SG-CA 3.57Å; C385-C392 WeakPolarHBondContact SG-CB 3.39Å; C385-C392 PolarHBondContact SG-N 2.93Å; C385-C392 CovalentContact SG-SG 2.01Å; C385-C392 PolarHBondContact SG-SG 2.95Å
386	S	72.8	Confident	73.9	Confident	116 Å²	116	51 Å²	51	81%	0.811	31%	0.31	S	S	*	.			trans	-80.8	21.3	175.2	-51	0	0	0	0	113.2
387	C	68.6	Low	74	Confident	17 Å²	17	48.9 Å²	48.9	12%	0.115	30%	0.298	C	S	.	.	S	Bend	trans	-94.3	144.7	-172.5	-60.3	0	0	0	0	111.3	C385 G389 G390 S391 C392 C399	C385-C387 HydrophobicContact CB-CB 4.25Å; C385-C387 PolarHBondContact O-N 3.23Å; C385-C387 VanDerWaalsContact O-N 3.1Å; C387-G389 VanDerWaalsContact C-N 3.3Å; C387-G389 PolarHBondContact O-N 3.21Å; C387-G390 PolarHBondContact O-N 3.16Å; C387-S391 VanDerWaalsContact CB-O 3.26Å; C387-S391 WeakPolarHBondContact CB-O 3.34Å; C387-C392 VanDerWaalsContact SG-CB 3.54Å; C387-C399 HydrophobicContact CB-CB 3.76Å; C387-C399 WeakPolarHBondContact CB-SG 3.3Å; C387-C399 WeakPolarHBondContact SG-CA 3.42Å; C387-C399 WeakPolarHBondContact SG-CB 3.2Å; C387-C399 CovalentContact SG-SG 2.03Å; C387-C399 PolarHBondContact SG-SG 2.82Å
388	R	59.8	Low	73.6	Confident	242 Å²	242	52.7 Å²	52.7	91%	0.913	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.8	-175.8	-76.4	-177.8	171.3	176	-2	114.4	G390	R388-G390 VanDerWaalsContact C-N 3.32Å
389	G	58.7	Low	73.1	Confident	45 Å²	45	55.2 Å²	55.2	46%	0.464	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	1.6	171.6	0	0	0	0	0	114.4	C387 S391	C387-G389 VanDerWaalsContact C-N 3.3Å; C387-G389 PolarHBondContact O-N 3.21Å; G389-S391 PolarHBondContact O-N 3.41Å
390	G	57.4	Low	72	Confident	37 Å²	37	58.5 Å²	58.5	38%	0.381	34%	0.339	S	S	.	.	S	Bend	trans	71.1	-20	-175.1	0	0	0	0	0	115.4	G368 C385 C387 R388	G368-G390 CarbonylContact C-O 3.5Å; G368-G390 WeakPolarHBondContact CA-O 3.42Å; C385-G390 WeakPolarHBondContact CB-O 3.31Å; C387-G390 PolarHBondContact O-N 3.16Å; R388-G390 VanDerWaalsContact C-N 3.32Å
391	S	63.1	Low	70.4	Confident	28 Å²	28	64.3 Å²	64.3	20%	0.196	38%	0.38	C	S	.	.			trans	-86.1	141.5	177.5	169	0	0	0	0	112.8	C387 G389 D403	C387-S391 VanDerWaalsContact CB-O 3.26Å; C387-S391 WeakPolarHBondContact CB-O 3.34Å; G389-S391 PolarHBondContact O-N 3.41Å; S391-D403 WeakPolarHBondContact CB-OD2 3.36Å; S391-D403 PolarHBondContact OG-OD2 2.86Å
392	C	74.4	Confident	68.6	Low	3 Å²	3	67.1 Å²	67.1	2%	0.02	40%	0.403	C	S	.	.			trans	-165.3	172.4	171.7	78.3	0	0	0	0	111.5	C385 C387 G397 D398	C385-C392 HydrophobicContact CB-CB 3.55Å; C385-C392 WeakPolarHBondContact CB-SG 3.29Å; C385-C392 VanDerWaalsContact SG-CA 3.57Å; C385-C392 WeakPolarHBondContact SG-CB 3.39Å; C385-C392 PolarHBondContact SG-N 2.93Å; C385-C392 CovalentContact SG-SG 2.01Å; C385-C392 PolarHBondContact SG-SG 2.95Å; C387-C392 VanDerWaalsContact SG-CB 3.54Å; C392-G397 WeakPolarHBondContact CB-O 3.4Å; C392-D398 CarbonylContact C-O 3.57Å; C392-D398 VanDerWaalsContact CA-O 3.28Å; C392-D398 WeakPolarHBondContact CA-O 3.43Å; C392-D398 VanDerWaalsContact CB-O 3.29Å; C392-D398 WeakPolarHBondContact CB-O 3.31Å
393	D	77.3	Confident	66.1	Low	37 Å²	37	70.2 Å²	70.2	20%	0.198	42%	0.419	C	S	.	.			trans	-63.8	127.8	177.7	-171	-84.6	0	0	0	113	R370 Q395 T396 G397 D398 Y400	R370-D393 WeakPolarHBondContact CB-O 3.2Å; D393-Q395 PolarHBondContact O-N 3.05Å; D393-Q395 WeakPolarHBondContact OD1-CA 3.14Å; D393-Q395 PolarHBondContact OD1-N 2.9Å; D393-T396 WeakPolarHBondContact CB-OG1 3.44Å; D393-T396 PolarHBondContact OD1-N 3.05Å; D393-G397 VanDerWaalsContact O-CA 3.29Å; D393-G397 WeakPolarHBondContact O-CA 3.44Å; D393-G397 PolarHBondContact O-N 2.85Å; D393-D398 PolarHBondContact N-O 3.03Å; D393-Y400 WeakPolarHBondContact CA-OH 3.18Å; D393-Y400 HydrophobicContact CB-CE1 3.99Å; D393-Y400 PolarHBondContact OD2-OH 3.12Å
394	P	67.8	Low	63.7	Low	34 Å²	34	74.2 Å²	74.2	22%	0.221	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.9	-178.7	-29.5	37.9	0	0	0	115.9	C365 R370 R371	C365-P394 HydrophobicContact CB-CB 4.27Å; R370-P394 CarbonylContact C-O 3.53Å; R370-P394 WeakPolarHBondContact CA-O 3.38Å; R371-P394 PolarHBondContact N-O 2.94Å
395	Q	68.8	Low	61.5	Low	76 Å²	76	75.8 Å²	75.8	36%	0.355	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-44.8	-176.4	-55.7	-48.2	-81.5	0	0	112.9	R371 P374 D393	R371-Q395 VanDerWaalsContact CD-OE1 3.23Å; P374-Q395 WeakPolarHBondContact CG-O 3.42Å; D393-Q395 PolarHBondContact O-N 3.05Å; D393-Q395 WeakPolarHBondContact OD1-CA 3.14Å; D393-Q395 PolarHBondContact OD1-N 2.9Å
396	T	72.6	Confident	59.6	Low	83 Å²	83	81.5 Å²	81.5	51%	0.509	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-38.2	179.1	69.9	0	0	0	0	112.3	D393 D398	D393-T396 WeakPolarHBondContact CB-OG1 3.44Å; D393-T396 PolarHBondContact OD1-N 3.05Å; T396-D398 WeakPolarHBondContact CB-OD2 3.44Å; T396-D398 VanDerWaalsContact OG1-CG 3.27Å; T396-D398 PolarHBondContact OG1-N 3.19Å; T396-D398 PolarHBondContact OG1-OD2 2.81Å
397	G	67.1	Low	57.9	Low	15 Å²	15	80 Å²	80	16%	0.155	49%	0.485	C	S	.	.			trans	94.5	3.5	-171.6	0	0	0	0	0	115.4	C392 D393	C392-G397 WeakPolarHBondContact CB-O 3.4Å; D393-G397 VanDerWaalsContact O-CA 3.29Å; D393-G397 WeakPolarHBondContact O-CA 3.44Å; D393-G397 PolarHBondContact O-N 2.85Å
398	D	68.8	Low	56.6	Low	107 Å²	107	87.3 Å²	87.3	57%	0.572	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-69.7	133	-177.7	-63.5	-53.1	0	0	0	111.6	C392 D393 T396 Y400	C392-D398 CarbonylContact C-O 3.57Å; C392-D398 VanDerWaalsContact CA-O 3.28Å; C392-D398 WeakPolarHBondContact CA-O 3.43Å; C392-D398 VanDerWaalsContact CB-O 3.29Å; C392-D398 WeakPolarHBondContact CB-O 3.31Å; D393-D398 PolarHBondContact N-O 3.03Å; T396-D398 WeakPolarHBondContact CB-OD2 3.44Å; T396-D398 VanDerWaalsContact OG1-CG 3.27Å; T396-D398 PolarHBondContact OG1-N 3.19Å; T396-D398 PolarHBondContact OG1-OD2 2.81Å; D398-Y400 PolarHBondContact O-N 3.43Å
399	C	68.7	Low	56.2	Low	74 Å²	74	86.4 Å²	86.4	50%	0.5	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-68	124	-179.8	-49.5	0	0	0	0	110.6	C387 S401	C387-C399 HydrophobicContact CB-CB 3.76Å; C387-C399 WeakPolarHBondContact CB-SG 3.3Å; C387-C399 WeakPolarHBondContact SG-CA 3.42Å; C387-C399 WeakPolarHBondContact SG-CB 3.2Å; C387-C399 CovalentContact SG-SG 2.03Å; C387-C399 PolarHBondContact SG-SG 2.82Å; C399-S401 PolarHBondContact O-N 2.88Å
400	Y	58.5	Low	55.8	Low	112 Å²	112	89.7 Å²	89.7	44%	0.439	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-70.5	123.9	174.5	-63.3	-50.4	0	0	0	110.4	D393 D398 A402 D403	D393-Y400 WeakPolarHBondContact CA-OH 3.18Å; D393-Y400 HydrophobicContact CB-CE1 3.99Å; D393-Y400 PolarHBondContact OD2-OH 3.12Å; D398-Y400 PolarHBondContact O-N 3.43Å; Y400-A402 PolarHBondContact O-N 3.02Å; Y400-D403 PolarHBondContact O-N 2.99Å
401	S	47.9	Very low	55.7	Low	127 Å²	127	88.8 Å²	88.8	89%	0.888	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	7.5	-172.3	-39.7	0	0	0	0	115.8	C399	C399-S401 PolarHBondContact O-N 2.88Å
402	A	47.5	Very low	55.6	Low	88 Å²	88	91.3 Å²	91.3	73%	0.727	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-16.7	-178.4	0	0	0	0	0	113.6	Y400 E404	Y400-A402 PolarHBondContact O-N 3.02Å; A402-E404 VanDerWaalsContact C-N 3.33Å; A402-E404 PolarHBondContact O-N 2.76Å
403	D	37.1	Very low	54.9	Low	77 Å²	77	98.4 Å²	98.4	41%	0.412	57%	0.568	S	S	.	*			trans	-86.9	5.3	-174.6	-66.8	-68.4	0	0	0	114.1	S391 Y400 T405	S391-D403 WeakPolarHBondContact CB-OD2 3.36Å; S391-D403 PolarHBondContact OG-OD2 2.86Å; Y400-D403 PolarHBondContact O-N 2.99Å; D403-T405 PolarHBondContact O-N 2.72Å
404	E	37.3	Very low	54.3	Low	140 Å²	140	97 Å²	97	65%	0.654	56%	0.562	S	S	*	*			trans	-87.4	70.5	173.2	-69.3	-137.8	144.2	0	0	113.2	A402	A402-E404 VanDerWaalsContact C-N 3.33Å; A402-E404 PolarHBondContact O-N 2.76Å
405	T	36.6	Very low	54.5	Low	120 Å²	120	98.6 Å²	98.6	74%	0.736	57%	0.566	S	S	*	*			trans	-132.9	110.1	156.3	51.5	0	0	0	0	112.4	D403 G407	D403-T405 PolarHBondContact O-N 2.72Å; T405-G407 PolarHBondContact O-N 3.28Å
406	P	41.3	Very low	54.6	Low	133 Å²	133	96.4 Å²	96.4	86%	0.864	55%	0.554	S	S	*	*			trans	-76.6	105.7	176.8	29.7	-33	0	0	0	111.6	E408	P406-E408 PolarHBondContact O-N 2.9Å
407	G	36.4	Very low	54.4	Low	84 Å²	84	98.7 Å²	98.7	87%	0.866	55%	0.554	S	S	*	*			trans	-88.8	24.8	-163.9	0	0	0	0	0	119.2	T405	T405-G407 PolarHBondContact O-N 3.28Å
408	E	41.3	Very low	54.3	Low	172 Å²	172	99.4 Å²	99.4	80%	0.804	55%	0.554	S	S	*	*	S	Bend	trans	-147	90.7	174.3	-160.4	169.9	-128.9	0	0	115.5	P406	P406-E408 PolarHBondContact O-N 2.9Å
409	R	50.7	Low	53.9	Low	223 Å²	223	99.7 Å²	99.7	84%	0.842	55%	0.552	S	S	*	*			trans	159.8	67.4	145.3	-85.8	157.1	-168.4	-155.3	2.5	111.1
410	S	50.5	Low	53.7	Low	114 Å²	114	104.3 Å²	104.3	80%	0.797	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-73.7	156.7	-179.2	-171.8	0	0	0	0	113.6
411	C	56.9	Low	53.8	Low	17 Å²	17	100.5 Å²	100.5	12%	0.115	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-68.1	168.8	155.6	-65.6	0	0	0	0	110.7	F415 C423	C411-F415 HydrophobicContact CB-CB 4.18Å; C411-C423 HydrophobicContact CB-CB 3.78Å; C411-C423 WeakPolarHBondContact CB-SG 3.41Å; C411-C423 VanDerWaalsContact SG-CA 3.57Å; C411-C423 WeakPolarHBondContact SG-CB 3.22Å; C411-C423 CovalentContact SG-SG 2.04Å; C411-C423 PolarHBondContact SG-SG 2.74Å
412	S	60.2	Low	54.9	Low	81 Å²	81	97.9 Å²	97.9	57%	0.566	54%	0.543	S	S	*	.	S	Bend	trans	-62.5	152.3	174.6	49.6	0	0	0	0	112.7	G414 F415	S412-G414 PolarHBondContact O-N 2.92Å; S412-F415 WeakPolarHBondContact O-CB 3.17Å; S412-F415 PolarHBondContact O-N 2.88Å
413	E	60.3	Low	56.3	Low	153 Å²	153	96.2 Å²	96.2	72%	0.715	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	135.3	-179.3	-168.7	172.2	-165.8	0	0	112.1	T432 R447	E413-T432 VanDerWaalsContact CG-O 3.3Å; E413-T432 WeakPolarHBondContact CG-O 3.35Å; E413-R447 IonicContact OE1-NH2 2.74Å
414	G	64.4	Low	58	Low	6 Å²	6	97.3 Å²	97.3	6%	0.062	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	84	3.7	-171.8	0	0	0	0	0	116.2	S412 C426 R431 T432	S412-G414 PolarHBondContact O-N 2.92Å; G414-C426 WeakPolarHBondContact O-CB 3.45Å; G414-C426 PolarHBondContact O-N 2.83Å; G414-R431 WeakPolarHBondContact CA-O 3.3Å; G414-T432 VanDerWaalsContact CA-O 3.28Å; G414-T432 WeakPolarHBondContact CA-O 3.47Å; G414-T432 PolarHBondContact N-O 3.36Å
415	F	70.8	Confident	59.7	Low	69 Å²	69	97.4 Å²	97.4	30%	0.303	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.8	178.9	-64.5	-107.5	0	0	0	111.7	C411 S412 C423 E424 R425	C411-F415 HydrophobicContact CB-CB 4.18Å; S412-F415 WeakPolarHBondContact O-CB 3.17Å; S412-F415 PolarHBondContact O-N 2.88Å; F415-C423 HydrophobicContact CB-CB 4.49Å; F415-E424 CarbonylContact C-O 3.58Å; F415-E424 WeakPolarHBondContact CA-O 3.15Å; F415-E424 VanDerWaalsContact CB-O 3.28Å; F415-E424 WeakPolarHBondContact CB-O 3.23Å; F415-E424 WeakPolarHBondContact CD1-O 3.39Å; F415-R425 VanDerWaalsContact CD1-CA 3.49Å; F415-R425 HydrophobicContact CD1-CB 3.8Å; F415-R425 HydrophobicContact CD1-CG 4.13Å; F415-R425 HydrophobicContact CE1-CB 3.55Å; F415-R425 HydrophobicContact CE1-CG 3.75Å; F415-R425 HydrophobicContact CE2-CG 4.19Å; F415-R425 HydrophobicContact CZ-CB 4.11Å; F415-R425 HydrophobicContact CZ-CG 3.77Å
416	Y	71.5	Confident	61.6	Low	30 Å²	30	91.8 Å²	91.8	12%	0.118	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	171.6	176.1	74.6	-77.2	0	0	0	110.4	C423 E424 C434 L436 P443	Y416-C423 CarbonylContact O-C 3.53Å; Y416-C423 VanDerWaalsContact O-CA 3.25Å; Y416-C423 WeakPolarHBondContact O-CA 3.44Å; Y416-E424 HydrophobicContact CD1-CB 4.03Å; Y416-E424 VanDerWaalsContact CD1-O 3.32Å; Y416-E424 WeakPolarHBondContact CD1-O 3.43Å; Y416-E424 HydrophobicContact CE1-CB 3.37Å; Y416-E424 HydrophobicContact CE2-CB 4.25Å; Y416-E424 PolarHBondContact N-O 3.42Å; Y416-E424 PolarHBondContact O-N 3.36Å; Y416-C434 VanDerWaalsContact CD1-SG 3.54Å; Y416-L436 HydrophobicContact CD2-CB 3.88Å; Y416-L436 HydrophobicContact CE2-CB 4.31Å; Y416-P443 HydrophobicContact CD1-CB 4.03Å; Y416-P443 HydrophobicContact CD1-CG 4.14Å; Y416-P443 HydrophobicContact CD2-CB 3.76Å; Y416-P443 HydrophobicContact CD2-CG 4.36Å; Y416-P443 HydrophobicContact CE1-CB 4.08Å; Y416-P443 HydrophobicContact CE1-CG 3.72Å; Y416-P443 HydrophobicContact CE2-CB 3.79Å; Y416-P443 HydrophobicContact CE2-CG 3.94Å; Y416-P443 HydrophobicContact CG-CB 3.88Å; Y416-P443 HydrophobicContact CG-CG 4.44Å
417	R	67.8	Low	63.1	Low	131 Å²	131	88.4 Å²	88.4	49%	0.494	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.5	177.5	-172.7	167.1	-71.1	-148.8	-1	111.9	S422 L436	R417-S422 CarbonylContact C-O 3.49Å; R417-S422 VanDerWaalsContact CA-O 3.25Å; R417-S422 WeakPolarHBondContact CA-O 3.48Å; R417-L436 WeakPolarHBondContact O-CD2 3.26Å
418	D	65.6	Low	64.9	Low	30 Å²	30	84.7 Å²	84.7	16%	0.16	43%	0.426	C	S	.	.			trans	-79	178.9	175	69.6	24.5	0	0	0	113.2	Q420 G421 S422 E424	D418-Q420 VanDerWaalsContact C-N 3.27Å; D418-Q420 PolarHBondContact O-N 2.96Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.47Å; D418-Q420 PolarHBondContact OD1-N 3.33Å; D418-G421 PolarHBondContact O-N 3.42Å; D418-G421 PolarHBondContact OD1-N 3.33Å; D418-S422 PolarHBondContact N-O 2.87Å; D418-S422 PolarHBondContact OD1-N 3.13Å; D418-S422 WeakPolarHBondContact OD2-CB 3.26Å; D418-E424 HydrophobicContact CB-CG 4.18Å
419	Q	61	Low	66.2	Low	112 Å²	112	79.3 Å²	79.3	52%	0.523	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.8	179.1	-62.7	-168.5	-2.6	0	0	114.2	L436 A440	Q419-L436 HydrophobicContact CG-CD2 4.09Å; Q419-A440 PolarHBondContact NE2-O 3.35Å
420	Q	64.1	Low	66.9	Low	171 Å²	171	73.2 Å²	73.2	80%	0.799	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.8	172.3	-66.6	85.8	35.3	0	0	112.9	D418	D418-Q420 VanDerWaalsContact C-N 3.27Å; D418-Q420 PolarHBondContact O-N 2.96Å; D418-Q420 WeakPolarHBondContact OD1-CA 3.47Å; D418-Q420 PolarHBondContact OD1-N 3.33Å
421	G	61.6	Low	67.5	Low	33 Å²	33	74.4 Å²	74.4	34%	0.34	38%	0.378	S	S	.	.	S	Bend	trans	99.5	6	179.1	0	0	0	0	0	115.5	D418	D418-G421 PolarHBondContact O-N 3.42Å; D418-G421 PolarHBondContact OD1-N 3.33Å
422	S	70.9	Confident	67.8	Low	71 Å²	71	76.1 Å²	76.1	50%	0.497	39%	0.387	S	S	.	.			trans	-78.9	158.3	176	-159.6	0	0	0	0	111.8	R417 D418	R417-S422 CarbonylContact C-O 3.49Å; R417-S422 VanDerWaalsContact CA-O 3.25Å; R417-S422 WeakPolarHBondContact CA-O 3.48Å; D418-S422 PolarHBondContact N-O 2.87Å; D418-S422 PolarHBondContact OD1-N 3.13Å; D418-S422 WeakPolarHBondContact OD2-CB 3.26Å
423	C	76.4	Confident	68	Low	54 Å²	54	73.8 Å²	73.8	37%	0.365	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	95.1	177.5	-68.6	0	0	0	0	111.1	C411 F415 Y416	C411-C423 HydrophobicContact CB-CB 3.78Å; C411-C423 WeakPolarHBondContact CB-SG 3.41Å; C411-C423 VanDerWaalsContact SG-CA 3.57Å; C411-C423 WeakPolarHBondContact SG-CB 3.22Å; C411-C423 CovalentContact SG-SG 2.04Å; C411-C423 PolarHBondContact SG-SG 2.74Å; F415-C423 HydrophobicContact CB-CB 4.49Å; Y416-C423 CarbonylContact O-C 3.53Å; Y416-C423 VanDerWaalsContact O-CA 3.25Å; Y416-C423 WeakPolarHBondContact O-CA 3.44Å
424	E	72.5	Confident	68.5	Low	99 Å²	99	67 Å²	67	46%	0.463	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	152.7	179.1	-81.9	-97.5	123.7	0	0	111.9	F415 Y416 D418	F415-E424 CarbonylContact C-O 3.58Å; F415-E424 WeakPolarHBondContact CA-O 3.15Å; F415-E424 VanDerWaalsContact CB-O 3.28Å; F415-E424 WeakPolarHBondContact CB-O 3.23Å; F415-E424 WeakPolarHBondContact CD1-O 3.39Å; Y416-E424 HydrophobicContact CD1-CB 4.03Å; Y416-E424 VanDerWaalsContact CD1-O 3.32Å; Y416-E424 WeakPolarHBondContact CD1-O 3.43Å; Y416-E424 HydrophobicContact CE1-CB 3.37Å; Y416-E424 HydrophobicContact CE2-CB 4.25Å; Y416-E424 PolarHBondContact N-O 3.42Å; Y416-E424 PolarHBondContact O-N 3.36Å; D418-E424 HydrophobicContact CB-CG 4.18Å
425	R	73.3	Confident	68.6	Low	143 Å²	143	68.7 Å²	68.7	54%	0.54	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.8	-175.4	-163.2	171.6	-172.4	166.3	4.5	111.8	F415 P427	F415-R425 VanDerWaalsContact CD1-CA 3.49Å; F415-R425 HydrophobicContact CD1-CB 3.8Å; F415-R425 HydrophobicContact CD1-CG 4.13Å; F415-R425 HydrophobicContact CE1-CB 3.55Å; F415-R425 HydrophobicContact CE1-CG 3.75Å; F415-R425 HydrophobicContact CE2-CG 4.19Å; F415-R425 HydrophobicContact CZ-CB 4.11Å; F415-R425 HydrophobicContact CZ-CG 3.77Å; R425-P427 WeakPolarHBondContact O-CD 3.49Å
426	C	75.8	Confident	68.5	Low	1 Å²	1	67.4 Å²	67.4	1%	0.007	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-60.7	123.3	-178.4	-74.8	0	0	0	0	113	G414 C428 C434	G414-C426 WeakPolarHBondContact O-CB 3.45Å; G414-C426 PolarHBondContact O-N 2.83Å; C426-C428 PolarHBondContact O-N 3.49Å; C426-C434 WeakPolarHBondContact CA-SG 3.48Å; C426-C434 HydrophobicContact CB-CB 3.83Å; C426-C434 WeakPolarHBondContact CB-SG 3.44Å; C426-C434 WeakPolarHBondContact SG-CB 2.95Å; C426-C434 PolarHBondContact SG-N 3.35Å; C426-C434 CovalentContact SG-SG 2.04Å; C426-C434 PolarHBondContact SG-SG 2.89Å
427	P	73.2	Confident	68	Low	62 Å²	62	71.7 Å²	71.7	40%	0.403	37%	0.369	S	S	.	.			trans	-77.6	23.2	179.1	32.4	-36.2	0	0	0	114.1	R425 P443 Y456	R425-P427 WeakPolarHBondContact O-CD 3.49Å; P427-P443 HydrophobicContact CG-CG 3.76Å; P427-Y456 HydrophobicContact CB-CD1 4.17Å; P427-Y456 HydrophobicContact CB-CE1 4.24Å; P427-Y456 HydrophobicContact CG-CD1 3.63Å; P427-Y456 HydrophobicContact CG-CE1 3.46Å; P427-Y456 VanDerWaalsContact CG-CE1 3.46Å
428	C	74.1	Confident	67.3	Low	6 Å²	6	70.8 Å²	70.8	4%	0.041	39%	0.389	C	S	.	.	S	Bend	trans	-81.5	152.4	179.4	-45.8	0	0	0	0	111.6	C426 D430 R431 C445	C426-C428 PolarHBondContact O-N 3.49Å; C428-D430 VanDerWaalsContact C-N 3.35Å; C428-D430 PolarHBondContact O-N 2.9Å; C428-R431 WeakPolarHBondContact O-CA 3.47Å; C428-R431 WeakPolarHBondContact O-CG 3.27Å; C428-R431 PolarHBondContact O-N 3.05Å; C428-C445 WeakPolarHBondContact CA-SG 3.23Å; C428-C445 HydrophobicContact CB-CB 3.98Å; C428-C445 WeakPolarHBondContact CB-SG 3.14Å; C428-C445 VanDerWaalsContact SG-CA 3.58Å; C428-C445 WeakPolarHBondContact SG-CB 3.48Å; C428-C445 CovalentContact SG-SG 2.03Å; C428-C445 PolarHBondContact SG-SG 2.95Å
429	P	68.1	Low	66.9	Low	59 Å²	59	73 Å²	73	38%	0.383	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-49.4	176.4	-29.2	34.7	0	0	0	113.3	R431 Y456 C457	P429-R431 VanDerWaalsContact C-N 3.31Å; P429-R431 PolarHBondContact O-N 3.31Å; P429-Y456 WeakPolarHBondContact CD-O 3.39Å; P429-C457 HydrophobicContact CG-CB 4.33Å
430	D	66.3	Low	66.8	Low	95 Å²	95	69.2 Å²	69.2	51%	0.508	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-11.3	178.7	-57.3	-27.7	0	0	0	113	C428 T432	C428-D430 VanDerWaalsContact C-N 3.35Å; C428-D430 PolarHBondContact O-N 2.9Å; D430-T432 HydrophobicContact CB-CG2 4.38Å; D430-T432 WeakPolarHBondContact O-CG2 3.4Å; D430-T432 PolarHBondContact O-N 3.21Å; D430-T432 VanDerWaalsContact O-N 3.1Å
431	R	63.4	Low	66.8	Low	140 Å²	140	68.1 Å²	68.1	53%	0.528	41%	0.406	S	S	.	.			trans	54.7	20.6	-179.4	-54.2	176.8	-177.4	-102.9	3.5	116	G414 C428 P429	G414-R431 WeakPolarHBondContact CA-O 3.3Å; C428-R431 WeakPolarHBondContact O-CA 3.47Å; C428-R431 WeakPolarHBondContact O-CG 3.27Å; C428-R431 PolarHBondContact O-N 3.05Å; P429-R431 VanDerWaalsContact C-N 3.31Å; P429-R431 PolarHBondContact O-N 3.31Å
432	T	62	Low	66.9	Low	52 Å²	52	72.2 Å²	72.2	32%	0.319	42%	0.416	S	S	.	.	S	Bend	trans	-92.6	-35.3	-171.8	50.1	0	0	0	0	115.7	E413 G414 D430	E413-T432 VanDerWaalsContact CG-O 3.3Å; E413-T432 WeakPolarHBondContact CG-O 3.35Å; G414-T432 VanDerWaalsContact CA-O 3.28Å; G414-T432 WeakPolarHBondContact CA-O 3.47Å; G414-T432 PolarHBondContact N-O 3.36Å; D430-T432 HydrophobicContact CB-CG2 4.38Å; D430-T432 WeakPolarHBondContact O-CG2 3.4Å; D430-T432 PolarHBondContact O-N 3.21Å; D430-T432 VanDerWaalsContact O-N 3.1Å
433	S	64.8	Low	67	Low	33 Å²	33	69.1 Å²	69.1	23%	0.231	39%	0.394	C	S	.	.			trans	-160.3	125.9	-171.6	-166.1	0	0	0	0	113.5	L446	S433-L446 PolarHBondContact O-N 3.39Å; S433-L446 WeakPolarHBondContact OG-CD1 3.36Å
434	C	70.9	Confident	67.1	Low	11 Å²	11	70 Å²	70	7%	0.074	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	163.2	176.4	72.3	0	0	0	0	111.2	Y416 C426 Q444	Y416-C434 VanDerWaalsContact CD1-SG 3.54Å; C426-C434 WeakPolarHBondContact CA-SG 3.48Å; C426-C434 HydrophobicContact CB-CB 3.83Å; C426-C434 WeakPolarHBondContact CB-SG 3.44Å; C426-C434 WeakPolarHBondContact SG-CB 2.95Å; C426-C434 PolarHBondContact SG-N 3.35Å; C426-C434 CovalentContact SG-SG 2.04Å; C426-C434 PolarHBondContact SG-SG 2.89Å; C434-Q444 CarbonylContact C-O 3.41Å; C434-Q444 WeakPolarHBondContact CA-O 3.46Å; C434-Q444 VanDerWaalsContact CB-O 3.22Å; C434-Q444 WeakPolarHBondContact CB-O 3.49Å
435	S	66.6	Low	67.4	Low	41 Å²	41	65.7 Å²	65.7	29%	0.287	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.3	-178.6	52.6	0	0	0	0	112.1	Q444	S435-Q444 PolarHBondContact N-O 2.93Å; S435-Q444 PolarHBondContact O-N 3.5Å
436	L	68.4	Low	67.3	Low	41 Å²	41	63.7 Å²	63.7	22%	0.215	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-93.3	120.9	169.3	-170.5	72.2	0	0	0	108.9	Y416 R417 Q419 A440 E442	Y416-L436 HydrophobicContact CD2-CB 3.88Å; Y416-L436 HydrophobicContact CE2-CB 4.31Å; R417-L436 WeakPolarHBondContact O-CD2 3.26Å; Q419-L436 HydrophobicContact CG-CD2 4.09Å; L436-A440 HydrophobicContact CD1-CB 4.15Å; L436-E442 WeakPolarHBondContact CD1-O 3.45Å
437	Q	60.7	Low	67.1	Low	121 Å²	121	70.9 Å²	70.9	57%	0.565	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-76	154.8	173.9	-75.2	-170	-46.4	0	0	111.4	G439 A440	Q437-G439 PolarHBondContact O-N 3.09Å; Q437-G439 VanDerWaalsContact O-N 3.17Å; Q437-A440 HydrophobicContact CB-CB 4.3Å; Q437-A440 WeakPolarHBondContact O-CB 3.39Å; Q437-A440 PolarHBondContact O-N 2.97Å
438	A	54.4	Low	67.2	Low	111 Å²	111	70 Å²	70	92%	0.917	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	118.1	-177.2	0	0	0	0	0	111.3
439	G	56.4	Low	67.2	Low	77 Å²	77	71.3 Å²	71.3	79%	0.794	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-9	-175.9	0	0	0	0	0	115.1	Q437	Q437-G439 PolarHBondContact O-N 3.09Å; Q437-G439 VanDerWaalsContact O-N 3.17Å
440	A	59.8	Low	67.5	Low	33 Å²	33	74.6 Å²	74.6	27%	0.273	43%	0.425	S	S	.	.			trans	-73.5	147.2	170.5	0	0	0	0	0	111.1	Q419 L436 Q437	Q419-A440 PolarHBondContact NE2-O 3.35Å; L436-A440 HydrophobicContact CD1-CB 4.15Å; Q437-A440 HydrophobicContact CB-CB 4.3Å; Q437-A440 WeakPolarHBondContact O-CB 3.39Å; Q437-A440 PolarHBondContact O-N 2.97Å
441	L	62.7	Low	67.8	Low	147 Å²	147	70.5 Å²	70.5	77%	0.77	41%	0.405	S	S	*	.	S	Bend	trans	-91.5	-18.7	174.7	-74.5	162	0	0	0	112.9
442	E	64.1	Low	68.7	Low	120 Å²	120	64.1 Å²	64.1	56%	0.561	38%	0.382	S	S	*	.	S	Bend	trans	-133.9	140.9	-170.8	-73.5	-171.7	-178.3	0	0	112.1	L436 Y456	L436-E442 WeakPolarHBondContact CD1-O 3.45Å; E442-Y456 WeakPolarHBondContact CB-OH 3.4Å; E442-Y456 WeakPolarHBondContact CG-OH 3.42Å; E442-Y456 PolarHBondContact OE2-OH 3.28Å
443	P	73.1	Confident	69.3	Low	5 Å²	5	65.4 Å²	65.4	3%	0.032	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-83.7	143.1	-172.6	34.4	-37.6	0	0	0	113.5	Y416 P427 Y456	Y416-P443 HydrophobicContact CD1-CB 4.03Å; Y416-P443 HydrophobicContact CD1-CG 4.14Å; Y416-P443 HydrophobicContact CD2-CB 3.76Å; Y416-P443 HydrophobicContact CD2-CG 4.36Å; Y416-P443 HydrophobicContact CE1-CB 4.08Å; Y416-P443 HydrophobicContact CE1-CG 3.72Å; Y416-P443 HydrophobicContact CE2-CB 3.79Å; Y416-P443 HydrophobicContact CE2-CG 3.94Å; Y416-P443 HydrophobicContact CG-CB 3.88Å; Y416-P443 HydrophobicContact CG-CG 4.44Å; P427-P443 HydrophobicContact CG-CG 3.76Å; P443-Y456 HydrophobicContact CG-CE1 4.33Å; P443-Y456 WeakPolarHBondContact O-CE1 3.48Å
444	Q	78.8	Confident	69.7	Low	72 Å²	72	65 Å²	65	34%	0.336	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	129.6	176.1	-169	170.4	13.9	0	0	112	C434 S435 F455	C434-Q444 CarbonylContact C-O 3.41Å; C434-Q444 WeakPolarHBondContact CA-O 3.46Å; C434-Q444 VanDerWaalsContact CB-O 3.22Å; C434-Q444 WeakPolarHBondContact CB-O 3.49Å; S435-Q444 PolarHBondContact N-O 2.93Å; S435-Q444 PolarHBondContact O-N 3.5Å; Q444-F455 HydrophobicContact CB-CD1 3.63Å; Q444-F455 HydrophobicContact CB-CE1 3.95Å; Q444-F455 HydrophobicContact CG-CD1 3.69Å; Q444-F455 HydrophobicContact CG-CE1 4.02Å; Q444-F455 HydrophobicContact CG-CG 4.42Å
445	C	78	Confident	69.9	Low	9 Å²	9	69.9 Å²	69.9	6%	0.061	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.5	174.1	-66	0	0	0	0	112	C428 F455 C457	C428-C445 WeakPolarHBondContact CA-SG 3.23Å; C428-C445 HydrophobicContact CB-CB 3.98Å; C428-C445 WeakPolarHBondContact CB-SG 3.14Å; C428-C445 VanDerWaalsContact SG-CA 3.58Å; C428-C445 WeakPolarHBondContact SG-CB 3.48Å; C428-C445 CovalentContact SG-SG 2.03Å; C428-C445 PolarHBondContact SG-SG 2.95Å; C445-F455 WeakPolarHBondContact CB-O 3.32Å; C445-F455 PolarHBondContact N-O 3.43Å; C445-F455 PolarHBondContact SG-O 2.97Å; C445-F455 VanDerWaalsContact SG-O 3.38Å; C445-C457 WeakPolarHBondContact CB-SG 3.45Å
446	L	71.1	Confident	70.5	Confident	102 Å²	102	70.9 Å²	70.9	53%	0.534	40%	0.402	S	S	.	.	S	Bend	trans	-85.4	-19	-171.4	-73.9	166.6	0	0	0	113.8	S433	S433-L446 PolarHBondContact O-N 3.39Å; S433-L446 WeakPolarHBondContact OG-CD1 3.36Å
447	R	71.9	Confident	71	Confident	151 Å²	151	68.9 Å²	68.9	57%	0.57	39%	0.392	S	S	*	.			trans	-138	127	172.4	-72.1	-175.4	-72.9	165.1	-4.1	109.2	E413	E413-R447 IonicContact OE1-NH2 2.74Å
448	C	76.1	Confident	71.8	Confident	43 Å²	43	65.4 Å²	65.4	29%	0.291	38%	0.377	S	S	.	.			trans	-110.3	141.2	178.2	-67.9	0	0	0	0	110.9	T452 C457	C448-T452 WeakPolarHBondContact CB-OG1 3.48Å; C448-C457 WeakPolarHBondContact CA-SG 3.42Å; C448-C457 HydrophobicContact CB-CB 3.57Å; C448-C457 WeakPolarHBondContact CB-SG 3.41Å; C448-C457 WeakPolarHBondContact SG-CB 3.4Å; C448-C457 CovalentContact SG-SG 2.04Å; C448-C457 PolarHBondContact SG-SG 2.88Å
449	P	74.5	Confident	73	Confident	35 Å²	35	62.6 Å²	62.6	23%	0.227	35%	0.348	C	S	.	.			trans	-51.9	149.2	173.6	-29.7	35.6	0	0	0	113.6	G451 T452	P449-G451 PolarHBondContact O-N 3.38Å; P449-T452 HydrophobicContact CB-CG2 4.35Å; P449-T452 WeakPolarHBondContact CD-OG1 3.45Å; P449-T452 WeakPolarHBondContact O-CB 3.27Å; P449-T452 PolarHBondContact O-N 2.77Å; P449-T452 PolarHBondContact O-OG1 3.08Å
450	P	72.9	Confident	74.2	Confident	127 Å²	127	59 Å²	59	83%	0.825	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	132.4	178.1	-28	35.8	0	0	0	112.6	T452	P450-T452 VanDerWaalsContact C-N 3.34Å
451	G	72.7	Confident	75.3	Confident	10 Å²	10	63.9 Å²	63.9	10%	0.103	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	0.5	-175.4	0	0	0	0	0	115.6	P449 C460 R461 C478	P449-G451 PolarHBondContact O-N 3.38Å; G451-C460 WeakPolarHBondContact O-CA 3.38Å; G451-R461 WeakPolarHBondContact O-CB 3.27Å; G451-R461 PolarHBondContact O-N 3.03Å; G451-C478 WeakPolarHBondContact O-CB 3.43Å
452	T	81.9	Confident	76.2	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	162.6	175.4	67.1	0	0	0	0	113.4	C448 P449 P450 T459 R461 P468 C478	C448-T452 WeakPolarHBondContact CB-OG1 3.48Å; P449-T452 HydrophobicContact CB-CG2 4.35Å; P449-T452 WeakPolarHBondContact CD-OG1 3.45Å; P449-T452 WeakPolarHBondContact O-CB 3.27Å; P449-T452 PolarHBondContact O-N 2.77Å; P449-T452 PolarHBondContact O-OG1 3.08Å; P450-T452 VanDerWaalsContact C-N 3.34Å; T452-T459 CarbonylContact C-O 3.56Å; T452-T459 VanDerWaalsContact CA-O 3.3Å; T452-T459 WeakPolarHBondContact CA-O 3.44Å; T452-R461 PolarHBondContact O-NE 2.91Å; T452-R461 PolarHBondContact O-NH2 3.45Å; T452-P468 HydrophobicContact CG2-CB 3.92Å; T452-P468 HydrophobicContact CG2-CG 4.04Å; T452-C478 HydrophobicContact CG2-CB 4.48Å
453	F	75.4	Confident	76.8	Confident	79 Å²	79	53.5 Å²	53.5	35%	0.346	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-175.1	168	87.7	-62.7	0	0	0	110.3	C457 D458 T459 C460 R461	F453-C457 CarbonylContact O-C 3.14Å; F453-C457 WeakPolarHBondContact O-CA 3.45Å; F453-D458 PolarHBondContact O-N 3.15Å; F453-T459 HydrophobicContact CD1-CG2 4.19Å; F453-T459 HydrophobicContact CE1-CG2 3.59Å; F453-T459 HydrophobicContact CZ-CG2 4.27Å; F453-T459 PolarHBondContact N-O 3.3Å; F453-T459 PolarHBondContact O-N 3.29Å; F453-T459 VanDerWaalsContact O-N 3.12Å; F453-T459 VanDerWaalsContact O-O 3.07Å; F453-C460 VanDerWaalsContact CE1-O 3.27Å; F453-C460 WeakPolarHBondContact CE1-O 3.45Å; F453-R461 HydrophobicContact CD1-CB 4.36Å
454	G	73.3	Confident	77.3	Confident	24 Å²	24	56.5 Å²	56.5	25%	0.247	28%	0.284	C	S	.	.	S	Bend	trans	104.2	166.4	-175.5	0	0	0	0	0	112.2	Y456 C457	G454-Y456 PolarHBondContact O-N 2.99Å; G454-C457 PolarHBondContact O-N 2.99Å; G454-C457 VanDerWaalsContact O-N 3.1Å
455	F	74.4	Confident	77.6	Confident	114 Å²	114	56.5 Å²	56.5	50%	0.5	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.2	-177	-84.1	-91.3	0	0	0	112.5	Q444 C445	Q444-F455 HydrophobicContact CB-CD1 3.63Å; Q444-F455 HydrophobicContact CB-CE1 3.95Å; Q444-F455 HydrophobicContact CG-CD1 3.69Å; Q444-F455 HydrophobicContact CG-CE1 4.02Å; Q444-F455 HydrophobicContact CG-CG 4.42Å; C445-F455 WeakPolarHBondContact CB-O 3.32Å; C445-F455 PolarHBondContact N-O 3.43Å; C445-F455 PolarHBondContact SG-O 2.97Å; C445-F455 VanDerWaalsContact SG-O 3.38Å
456	Y	79.1	Confident	77.9	Confident	61 Å²	61	56.5 Å²	56.5	24%	0.239	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	13.7	176.9	-54	-53	0	0	0	113.8	P427 P429 E442 P443 G454 D458	P427-Y456 HydrophobicContact CB-CD1 4.17Å; P427-Y456 HydrophobicContact CB-CE1 4.24Å; P427-Y456 HydrophobicContact CG-CD1 3.63Å; P427-Y456 HydrophobicContact CG-CE1 3.46Å; P427-Y456 VanDerWaalsContact CG-CE1 3.46Å; P429-Y456 WeakPolarHBondContact CD-O 3.39Å; E442-Y456 WeakPolarHBondContact CB-OH 3.4Å; E442-Y456 WeakPolarHBondContact CG-OH 3.42Å; E442-Y456 PolarHBondContact OE2-OH 3.28Å; P443-Y456 HydrophobicContact CG-CE1 4.33Å; P443-Y456 WeakPolarHBondContact O-CE1 3.48Å; G454-Y456 PolarHBondContact O-N 2.99Å; Y456-D458 PolarHBondContact O-N 2.95Å
457	C	79.1	Confident	78.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	54.2	29.8	-172.6	-48.3	0	0	0	0	113.6	P429 C445 C448 F453 G454	P429-C457 HydrophobicContact CG-CB 4.33Å; C445-C457 WeakPolarHBondContact CB-SG 3.45Å; C448-C457 WeakPolarHBondContact CA-SG 3.42Å; C448-C457 HydrophobicContact CB-CB 3.57Å; C448-C457 WeakPolarHBondContact CB-SG 3.41Å; C448-C457 WeakPolarHBondContact SG-CB 3.4Å; C448-C457 CovalentContact SG-SG 2.04Å; C448-C457 PolarHBondContact SG-SG 2.88Å; F453-C457 CarbonylContact O-C 3.14Å; F453-C457 WeakPolarHBondContact O-CA 3.45Å; G454-C457 PolarHBondContact O-N 2.99Å; G454-C457 VanDerWaalsContact O-N 3.1Å
458	D	77.3	Confident	78.4	Confident	47 Å²	47	45.8 Å²	45.8	25%	0.251	24%	0.238	S	C	.	.			trans	-90	-7.3	-171.3	57.1	-2	0	0	0	113.8	F453 Y456 P468 A469	F453-D458 PolarHBondContact O-N 3.15Å; Y456-D458 PolarHBondContact O-N 2.95Å; D458-P468 WeakPolarHBondContact O-CD 3.24Å; D458-P468 VanDerWaalsContact O-CG 3.23Å; D458-P468 WeakPolarHBondContact O-CG 3.47Å; D458-A469 HydrophobicContact CB-CB 3.81Å
459	T	81.4	Confident	78.3	Confident	52 Å²	52	45.8 Å²	45.8	32%	0.319	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	138.3	-172.7	-53	0	0	0	0	110.4	T452 F453	T452-T459 CarbonylContact C-O 3.56Å; T452-T459 VanDerWaalsContact CA-O 3.3Å; T452-T459 WeakPolarHBondContact CA-O 3.44Å; F453-T459 HydrophobicContact CD1-CG2 4.19Å; F453-T459 HydrophobicContact CE1-CG2 3.59Å; F453-T459 HydrophobicContact CZ-CG2 4.27Å; F453-T459 PolarHBondContact N-O 3.3Å; F453-T459 PolarHBondContact O-N 3.29Å; F453-T459 VanDerWaalsContact O-N 3.12Å; F453-T459 VanDerWaalsContact O-O 3.07Å
460	C	81.8	Confident	78.1	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.02	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	138	172.7	-61.8	0	0	0	0	111.7	G451 F453 F464 Y465 G466 C478 R497	G451-C460 WeakPolarHBondContact O-CA 3.38Å; F453-C460 VanDerWaalsContact CE1-O 3.27Å; F453-C460 WeakPolarHBondContact CE1-O 3.45Å; C460-F464 HydrophobicContact CB-CB 4.37Å; C460-F464 WeakPolarHBondContact CB-O 3.48Å; C460-Y465 VanDerWaalsContact SG-C 3.51Å; C460-G466 VanDerWaalsContact SG-CA 3.56Å; C460-G466 PolarHBondContact SG-N 3.31Å; C460-C478 WeakPolarHBondContact CA-SG 3.17Å; C460-C478 HydrophobicContact CB-CB 3.81Å; C460-C478 WeakPolarHBondContact CB-SG 3.41Å; C460-C478 WeakPolarHBondContact SG-CB 3.31Å; C460-C478 CovalentContact SG-SG 2.04Å; C460-C478 PolarHBondContact SG-SG 2.83Å; C460-R497 WeakPolarHBondContact O-CD 3.41Å
461	R	82.4	Confident	77.7	Confident	135 Å²	135	45.9 Å²	45.9	51%	0.509	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-68	158.7	175.7	-169.5	173.4	-63.2	-124	-1.9	110.4	G451 T452 F453 F464	G451-R461 WeakPolarHBondContact O-CB 3.27Å; G451-R461 PolarHBondContact O-N 3.03Å; T452-R461 PolarHBondContact O-NE 2.91Å; T452-R461 PolarHBondContact O-NH2 3.45Å; F453-R461 HydrophobicContact CD1-CB 4.36Å; R461-F464 WeakPolarHBondContact O-CB 3.26Å; R461-F464 PolarHBondContact O-N 3.35Å
462	E	81.6	Confident	77.1	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.22	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	143.9	173.1	-58.5	-67.3	-156	0	0	111.9	F464 A492 G493 R497	E462-F464 PolarHBondContact O-N 2.88Å; E462-A492 HydrophobicContact CG-CB 4.46Å; E462-A492 VanDerWaalsContact OE1-CA 3.3Å; E462-A492 WeakPolarHBondContact OE1-CA 3.48Å; E462-A492 WeakPolarHBondContact OE1-CB 3.42Å; E462-G493 PolarHBondContact OE1-N 2.89Å; E462-R497 IonicContact OE1-CZ 3.2Å; E462-R497 IonicContact OE1-NE 3.87Å; E462-R497 IonicContact OE1-NH2 2.89Å; E462-R497 PolarHBondContact OE1-NH2 3.07Å; E462-R497 IonicContact OE2-CZ 2.67Å; E462-R497 IonicContact OE2-NE 3.94Å; E462-R497 PolarHBondContact OE2-NE 3.46Å; E462-R497 IonicContact OE2-NH2 3.18Å; E462-R497 PolarHBondContact OE2-NH2 2.83Å
463	G	75.5	Confident	76.3	Confident	2 Å²	2	56.7 Å²	56.7	2%	0.021	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-8.4	-170.3	0	0	0	0	0	115.1	P480 C481 V489	G463-P480 CarbonylContact O-C 3.58Å; G463-P480 WeakPolarHBondContact O-CA 3.07Å; G463-C481 PolarHBondContact O-N 2.91Å; G463-C481 PolarHBondContact O-SG 2.75Å; G463-V489 WeakPolarHBondContact CA-O 3.45Å; G463-V489 PolarHBondContact N-O 2.7Å
464	F	84.3	Confident	75.6	Confident	68 Å²	68	56.8 Å²	56.8	30%	0.298	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.3	-178.4	-67.3	-111.5	0	0	0	112.2	C460 R461 E462 C478 R479 P480	C460-F464 HydrophobicContact CB-CB 4.37Å; C460-F464 WeakPolarHBondContact CB-O 3.48Å; R461-F464 WeakPolarHBondContact O-CB 3.26Å; R461-F464 PolarHBondContact O-N 3.35Å; E462-F464 PolarHBondContact O-N 2.88Å; F464-C478 HydrophobicContact CB-CB 4.12Å; F464-R479 CarbonylContact C-O 3.09Å; F464-R479 WeakPolarHBondContact CA-O 2.98Å; F464-R479 VanDerWaalsContact CD1-C 3.45Å; F464-P480 HydrophobicContact CD1-CB 4.33Å; F464-P480 HydrophobicContact CE1-CB 4.07Å; F464-P480 HydrophobicContact CE1-CG 4.39Å; F464-P480 HydrophobicContact CZ-CB 4.25Å
465	Y	85.8	Confident	75.6	Confident	71 Å²	71	62 Å²	62	28%	0.278	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.2	178.5	77.2	-78.9	0	0	0	113	C460 C478 R479 D496 R497 S499 G500	C460-Y465 VanDerWaalsContact SG-C 3.51Å; Y465-C478 CarbonylContact O-C 3.57Å; Y465-C478 WeakPolarHBondContact O-CA 3.36Å; Y465-R479 VanDerWaalsContact CD1-O 3.22Å; Y465-R479 WeakPolarHBondContact CD1-O 3.01Å; Y465-R479 HydrophobicContact CE1-CB 4.18Å; Y465-R479 PolarHBondContact N-O 3.27Å; Y465-R479 PolarHBondContact O-N 3.48Å; Y465-D496 WeakPolarHBondContact CB-O 3.47Å; Y465-R497 CarbonylContact C-O 2.92Å; Y465-R497 WeakPolarHBondContact CA-O 3.37Å; Y465-S499 VanDerWaalsContact CD2-C 3.42Å; Y465-G500 VanDerWaalsContact CD1-CA 3.48Å; Y465-G500 VanDerWaalsContact CD2-CA 3.45Å; Y465-G500 VanDerWaalsContact CD2-N 3.26Å
466	G	84.3	Confident	75.9	Confident	9 Å²	9	62 Å²	62	9%	0.093	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.9	-159	-176.9	0	0	0	0	0	113.5	C460 R497	C460-G466 VanDerWaalsContact SG-CA 3.56Å; C460-G466 PolarHBondContact SG-N 3.31Å; G466-R497 PolarHBondContact N-O 2.96Å
467	D	79.3	Confident	75.8	Confident	14 Å²	14	63.3 Å²	63.3	8%	0.075	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	78.3	170.6	-179.2	0.2	0	0	0	107.4	A469 G470 L471 R472 R476	D467-A469 PolarHBondContact O-N 3.01Å; D467-G470 PolarHBondContact O-N 2.62Å; D467-G470 WeakPolarHBondContact OD1-CA 3.45Å; D467-G470 PolarHBondContact OD1-N 3.05Å; D467-L471 PolarHBondContact OD1-N 2.83Å; D467-L471 VanDerWaalsContact OD1-N 3.08Å; D467-L471 PolarHBondContact OD2-N 2.81Å; D467-R472 WeakPolarHBondContact OD2-CA 3Å; D467-R472 WeakPolarHBondContact OD2-CB 3.46Å; D467-R472 PolarHBondContact OD2-N 2.77Å; D467-R476 CarbonylContact C-O 3.51Å; D467-R476 PolarHBondContact N-O 3.34Å; D467-R476 PolarHBondContact O-N 2.76Å
468	P	74	Confident	76.1	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.091	34%	0.341	C	S	.	.	S	Bend	trans	-75.7	-13.4	-168.8	33.2	-37.2	0	0	0	112.5	T452 D458 Q475	T452-P468 HydrophobicContact CG2-CB 3.92Å; T452-P468 HydrophobicContact CG2-CG 4.04Å; D458-P468 WeakPolarHBondContact O-CD 3.24Å; D458-P468 VanDerWaalsContact O-CG 3.23Å; D458-P468 WeakPolarHBondContact O-CG 3.47Å; P468-Q475 WeakPolarHBondContact O-CG 3.28Å; P468-Q475 PolarHBondContact O-NE2 2.94Å
469	A	72.9	Confident	76.4	Confident	44 Å²	44	69.5 Å²	69.5	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-95	-17.1	171.5	0	0	0	0	0	113.7	D458 D467 L471	D458-A469 HydrophobicContact CB-CB 3.81Å; D467-A469 PolarHBondContact O-N 3.01Å; A469-L471 VanDerWaalsContact C-N 3.33Å; A469-L471 HydrophobicContact CB-CD1 3.99Å; A469-L471 HydrophobicContact CB-CG 3.83Å
470	G	70.2	Confident	76.4	Confident	24 Å²	24	70.9 Å²	70.9	25%	0.247	37%	0.367	C	S	.	.			trans	74	21.8	-177.2	0	0	0	0	0	113.7	D467 R472 G473	D467-G470 PolarHBondContact O-N 2.62Å; D467-G470 WeakPolarHBondContact OD1-CA 3.45Å; D467-G470 PolarHBondContact OD1-N 3.05Å; G470-R472 PolarHBondContact O-N 2.89Å; G470-G473 CarbonylContact C-O 3.53Å; G470-G473 WeakPolarHBondContact CA-O 3.06Å; G470-G473 PolarHBondContact O-N 3.03Å
471	L	65.5	Low	76.4	Confident	139 Å²	139	71.2 Å²	71.2	73%	0.728	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.4	-175.3	-67.7	171.9	0	0	0	112.8	D467 A469	D467-L471 PolarHBondContact OD1-N 2.83Å; D467-L471 VanDerWaalsContact OD1-N 3.08Å; D467-L471 PolarHBondContact OD2-N 2.81Å; A469-L471 VanDerWaalsContact C-N 3.33Å; A469-L471 HydrophobicContact CB-CD1 3.99Å; A469-L471 HydrophobicContact CB-CG 3.83Å
472	R	60.3	Low	76.4	Confident	197 Å²	197	69 Å²	69	74%	0.743	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	18.3	179.9	-51.5	-176.2	-173.9	-178	2.5	112.4	D467 G470	D467-R472 WeakPolarHBondContact OD2-CA 3Å; D467-R472 WeakPolarHBondContact OD2-CB 3.46Å; D467-R472 PolarHBondContact OD2-N 2.77Å; G470-R472 PolarHBondContact O-N 2.89Å
473	G	63.8	Low	76.4	Confident	46 Å²	46	67 Å²	67	47%	0.474	37%	0.366	S	S	.	.	S	Bend	trans	144	-147.8	174.6	0	0	0	0	0	113.5	G470 Q475	G470-G473 CarbonylContact C-O 3.53Å; G470-G473 WeakPolarHBondContact CA-O 3.06Å; G470-G473 PolarHBondContact O-N 3.03Å; G473-Q475 PolarHBondContact O-N 3.29Å
474	A	62.4	Low	76.4	Confident	81 Å²	81	71.6 Å²	71.6	67%	0.669	39%	0.39	S	S	*	.	S	Bend	trans	-61.6	130.9	173.2	0	0	0	0	0	110.6	R476	A474-R476 PolarHBondContact O-N 3.29Å
475	Q	73.1	Confident	75.8	Confident	134 Å²	134	71.9 Å²	71.9	63%	0.626	41%	0.412	S	S	*	.			trans	-55.2	126	-178.8	-166.6	-175.6	21	0	0	111.2	P468 G473	P468-Q475 WeakPolarHBondContact O-CG 3.28Å; P468-Q475 PolarHBondContact O-NE2 2.94Å; G473-Q475 PolarHBondContact O-N 3.29Å
476	R	80.3	Confident	75.4	Confident	114 Å²	114	69.5 Å²	69.5	43%	0.43	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.9	179.9	-71.5	-178.7	-62.2	-98.4	-2.4	109.6	D467 A474	D467-R476 CarbonylContact C-O 3.51Å; D467-R476 PolarHBondContact N-O 3.34Å; D467-R476 PolarHBondContact O-N 2.76Å; A474-R476 PolarHBondContact O-N 3.29Å
477	P	76.8	Confident	75	Confident	89 Å²	89	70 Å²	70	58%	0.578	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	144.8	176.1	28.3	-34.9	0	0	0	110.3	R479	P477-R479 PolarHBondContact O-N 2.93Å
478	C	85.5	Confident	74.8	Confident	17 Å²	17	73.1 Å²	73.1	12%	0.115	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.8	-176.9	-59.3	0	0	0	0	111.5	G451 T452 C460 F464 Y465	G451-C478 WeakPolarHBondContact O-CB 3.43Å; T452-C478 HydrophobicContact CG2-CB 4.48Å; C460-C478 WeakPolarHBondContact CA-SG 3.17Å; C460-C478 HydrophobicContact CB-CB 3.81Å; C460-C478 WeakPolarHBondContact CB-SG 3.41Å; C460-C478 WeakPolarHBondContact SG-CB 3.31Å; C460-C478 CovalentContact SG-SG 2.04Å; C460-C478 PolarHBondContact SG-SG 2.83Å; F464-C478 HydrophobicContact CB-CB 4.12Å; Y465-C478 CarbonylContact O-C 3.57Å; Y465-C478 WeakPolarHBondContact O-CA 3.36Å
479	R	83.4	Confident	74.3	Confident	159 Å²	159	75.6 Å²	75.6	60%	0.6	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.4	179.7	-68.4	-179.5	178.7	-166.2	-2.3	110.5	F464 Y465 P477	F464-R479 CarbonylContact C-O 3.09Å; F464-R479 WeakPolarHBondContact CA-O 2.98Å; F464-R479 VanDerWaalsContact CD1-C 3.45Å; Y465-R479 VanDerWaalsContact CD1-O 3.22Å; Y465-R479 WeakPolarHBondContact CD1-O 3.01Å; Y465-R479 HydrophobicContact CE1-CB 4.18Å; Y465-R479 PolarHBondContact N-O 3.27Å; Y465-R479 PolarHBondContact O-N 3.48Å; P477-R479 PolarHBondContact O-N 2.93Å
480	P	81.6	Confident	74	Confident	82 Å²	82	79.7 Å²	79.7	53%	0.532	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.6	177.4	28.3	-34.9	0	0	0	111.3	G463 F464	G463-P480 CarbonylContact O-C 3.58Å; G463-P480 WeakPolarHBondContact O-CA 3.07Å; F464-P480 HydrophobicContact CD1-CB 4.33Å; F464-P480 HydrophobicContact CE1-CB 4.07Å; F464-P480 HydrophobicContact CE1-CG 4.39Å; F464-P480 HydrophobicContact CZ-CB 4.25Å
481	C	82.3	Confident	74	Confident	10 Å²	10	80.1 Å²	80.1	7%	0.068	45%	0.452	C	S	.	.			trans	-74.7	141.4	177.7	-65	0	0	0	0	111.8	G463 C495	G463-C481 PolarHBondContact O-N 2.91Å; G463-C481 PolarHBondContact O-SG 2.75Å; C481-C495 HydrophobicContact CB-CB 3.59Å; C481-C495 WeakPolarHBondContact CB-SG 3.46Å; C481-C495 WeakPolarHBondContact SG-CB 3.37Å; C481-C495 CovalentContact SG-SG 2.02Å; C481-C495 PolarHBondContact SG-SG 3.39Å
482	S	81.3	Confident	73.8	Confident	87 Å²	87	76.3 Å²	76.3	61%	0.608	44%	0.441	S	S	*	.			trans	-119.9	62	-163.4	-178.9	0	0	0	0	112.7	N484	S482-N484 PolarHBondContact O-N 2.99Å
483	C	82.7	Confident	74.2	Confident	6 Å²	6	68 Å²	68	4%	0.041	42%	0.417	C	S	.	.			trans	-93.2	45.4	-168.5	-41.5	0	0	0	0	114.3	G485 H486 I487 C502 F513	C483-G485 PolarHBondContact O-N 2.83Å; C483-H486 PolarHBondContact O-N 2.79Å; C483-I487 HydrophobicContact CB-CB 4.26Å; C483-I487 HydrophobicContact CB-CD1 4.07Å; C483-I487 HydrophobicContact CB-CG1 3.8Å; C483-I487 HydrophobicContact CB-CG2 3.58Å; C483-I487 WeakPolarHBondContact SG-CD1 3.33Å; C483-C502 VanDerWaalsContact CA-SG 3.58Å; C483-C502 HydrophobicContact CB-CB 3.65Å; C483-C502 WeakPolarHBondContact CB-SG 3.5Å; C483-C502 WeakPolarHBondContact SG-CB 3.26Å; C483-C502 CovalentContact SG-SG 2.01Å; C483-C502 PolarHBondContact SG-SG 3.07Å; C483-F513 CarbonylContact C-O 3.46Å; C483-F513 VanDerWaalsContact CA-O 3.22Å; C483-F513 WeakPolarHBondContact CA-O 3.24Å
484	N	75.4	Confident	74.6	Confident	98 Å²	98	66 Å²	66	52%	0.524	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	25	176.7	-64.2	-71.2	0	0	0	116.6	S482 H486 F513	S482-N484 PolarHBondContact O-N 2.99Å; N484-H486 VanDerWaalsContact C-N 3.29Å; N484-H486 PolarHBondContact O-N 2.95Å; N484-F513 PolarHBondContact N-O 3.16Å; N484-F513 WeakPolarHBondContact ND2-CB 3.35Å; N484-F513 PolarHBondContact ND2-O 3.06Å
485	G	71.4	Confident	75.5	Confident	75 Å²	75	62.3 Å²	62.3	77%	0.773	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	14.2	-176.3	0	0	0	0	0	115	C483	C483-G485 PolarHBondContact O-N 2.83Å
486	H	76.7	Confident	76.1	Confident	20 Å²	20	58.5 Å²	58.5	9%	0.093	35%	0.348	C	S	.	.			trans	-110.7	25.5	-177.8	-64.9	-44.1	0	0	0	113.3	C483 N484 C505 L506 C514 R523 T528	C483-H486 PolarHBondContact O-N 2.79Å; N484-H486 VanDerWaalsContact C-N 3.29Å; N484-H486 PolarHBondContact O-N 2.95Å; H486-C505 WeakPolarHBondContact O-CA 3.18Å; H486-L506 WeakPolarHBondContact O-CB 3.28Å; H486-L506 PolarHBondContact O-N 2.79Å; H486-C514 HydrophobicContact CB-CB 3.65Å; H486-C514 PolarHBondContact CD2-O 3.24Å; H486-C514 VanDerWaalsContact CD2-O 3.3Å; H486-R523 PolarHBondContact NE2-NH1 3.04Å; H486-R523 PolarHBondContact NE2-NH2 3.09Å; H486-T528 PolarHBondContact CE1-O 2.98Å
487	I	75.8	Confident	76	Confident	20 Å²	20	56.9 Å²	56.9	10%	0.103	34%	0.343	C	S	.	.	S	Bend	trans	-133.4	161.4	164.1	71	163.7	0	0	0	110	C483 V489 C502	C483-I487 HydrophobicContact CB-CB 4.26Å; C483-I487 HydrophobicContact CB-CD1 4.07Å; C483-I487 HydrophobicContact CB-CG1 3.8Å; C483-I487 HydrophobicContact CB-CG2 3.58Å; C483-I487 WeakPolarHBondContact SG-CD1 3.33Å; I487-V489 HydrophobicContact CD1-CG1 3.94Å; I487-V489 HydrophobicContact CG1-CG1 4.01Å; I487-C502 HydrophobicContact CG2-CB 4.3Å
488	D	74.7	Confident	75.9	Confident	79 Å²	79	54.8 Å²	54.8	42%	0.422	33%	0.33	S	S	.	.			trans	-82.4	119.3	152.1	177.1	9.1	0	0	0	109	N490 A491 S494	D488-N490 PolarHBondContact O-N 2.62Å; D488-N490 PolarHBondContact OD1-N 3.2Å; D488-N490 PolarHBondContact OD1-ND2 2.69Å; D488-N490 VanDerWaalsContact OD1-ND2 3.09Å; D488-A491 HydrophobicContact CB-CB 4.36Å; D488-S494 WeakPolarHBondContact O-CB 3.07Å; D488-S494 PolarHBondContact O-OG 3.33Å
489	V	64.8	Low	75.6	Confident	67 Å²	67	56.3 Å²	56.3	41%	0.406	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.5	179.4	-65	0	0	0	0	113.6	G463 I487	G463-V489 WeakPolarHBondContact CA-O 3.45Å; G463-V489 PolarHBondContact N-O 2.7Å; I487-V489 HydrophobicContact CD1-CG1 3.94Å; I487-V489 HydrophobicContact CG1-CG1 4.01Å
490	N	66.3	Low	75.4	Confident	129 Å²	129	48.8 Å²	48.8	69%	0.69	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.9	-175.7	-54.2	-79.3	0	0	0	113.7	D488	D488-N490 PolarHBondContact O-N 2.62Å; D488-N490 PolarHBondContact OD1-N 3.2Å; D488-N490 PolarHBondContact OD1-ND2 2.69Å; D488-N490 VanDerWaalsContact OD1-ND2 3.09Å
491	A	69.1	Low	75.5	Confident	33 Å²	33	48.2 Å²	48.2	27%	0.273	30%	0.303	S	S	.	.	S	Bend	trans	-73.2	149.9	-178.5	0	0	0	0	0	112.5	D488 G493 S494	D488-A491 HydrophobicContact CB-CB 4.36Å; A491-G493 PolarHBondContact O-N 3.4Å; A491-S494 WeakPolarHBondContact CB-OG 3.3Å; A491-S494 PolarHBondContact O-N 2.81Å; A491-S494 PolarHBondContact O-OG 2.85Å; A491-S494 VanDerWaalsContact O-OG 3.05Å
492	A	63	Low	75.6	Confident	60 Å²	60	48.2 Å²	48.2	50%	0.496	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	127.4	-178.8	0	0	0	0	0	111.3	E462 R504	E462-A492 HydrophobicContact CG-CB 4.46Å; E462-A492 VanDerWaalsContact OE1-CA 3.3Å; E462-A492 WeakPolarHBondContact OE1-CA 3.48Å; E462-A492 WeakPolarHBondContact OE1-CB 3.42Å; A492-R504 PolarHBondContact O-NH1 2.96Å
493	G	69	Low	75.6	Confident	23 Å²	23	48.9 Å²	48.9	24%	0.237	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	28	-178	0	0	0	0	0	115.4	E462 A491 C495 L503	E462-G493 PolarHBondContact OE1-N 2.89Å; A491-G493 PolarHBondContact O-N 3.4Å; G493-C495 VanDerWaalsContact C-N 3.25Å; G493-C495 PolarHBondContact O-N 2.86Å; G493-L503 WeakPolarHBondContact O-CB 3.47Å
494	S	71.7	Confident	75.3	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.021	32%	0.324	C	S	.	.	S	Bend	trans	-67.7	-25.1	172.6	-63.2	0	0	0	0	114	D488 A491 L503	D488-S494 WeakPolarHBondContact O-CB 3.07Å; D488-S494 PolarHBondContact O-OG 3.33Å; A491-S494 WeakPolarHBondContact CB-OG 3.3Å; A491-S494 PolarHBondContact O-N 2.81Å; A491-S494 PolarHBondContact O-OG 2.85Å; A491-S494 VanDerWaalsContact O-OG 3.05Å; S494-L503 PolarHBondContact O-N 3.36Å
495	C	81.8	Confident	75.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.02	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-144.4	156.3	171.1	55.5	0	0	0	0	110.5	C481 G493 R497 E501	C481-C495 HydrophobicContact CB-CB 3.59Å; C481-C495 WeakPolarHBondContact CB-SG 3.46Å; C481-C495 WeakPolarHBondContact SG-CB 3.37Å; C481-C495 CovalentContact SG-SG 2.02Å; C481-C495 PolarHBondContact SG-SG 3.39Å; G493-C495 VanDerWaalsContact C-N 3.25Å; G493-C495 PolarHBondContact O-N 2.86Å; C495-R497 PolarHBondContact O-N 2.91Å; C495-E501 CarbonylContact C-O 3.56Å; C495-E501 WeakPolarHBondContact CA-O 3.47Å; C495-E501 WeakPolarHBondContact CB-O 3.39Å
496	D	83.8	Confident	75.8	Confident	54 Å²	54	53.3 Å²	53.3	29%	0.289	30%	0.296	S	S	.	.			trans	-69.9	122.1	171.8	171	-109.5	0	0	0	110.6	Y465 S498 S499 G500 E501 L503	Y465-D496 WeakPolarHBondContact CB-O 3.47Å; D496-S498 PolarHBondContact O-N 3.13Å; D496-S498 WeakPolarHBondContact OD1-CA 3.41Å; D496-S498 WeakPolarHBondContact OD1-CB 3.16Å; D496-S498 PolarHBondContact OD1-N 2.84Å; D496-S498 PolarHBondContact OD1-OG 3.02Å; D496-S499 WeakPolarHBondContact CB-OG 3.48Å; D496-S499 PolarHBondContact O-N 2.97Å; D496-S499 WeakPolarHBondContact OD1-CB 3.42Å; D496-S499 PolarHBondContact OD1-N 2.81Å; D496-S499 PolarHBondContact OD1-OG 3.39Å; D496-G500 WeakPolarHBondContact O-CA 3.42Å; D496-G500 PolarHBondContact O-N 3.46Å; D496-E501 PolarHBondContact N-O 2.85Å; D496-L503 HydrophobicContact CB-CD1 4.24Å; D496-L503 HydrophobicContact CB-CD2 4.5Å
497	R	79.3	Confident	75.9	Confident	81 Å²	81	56 Å²	56	31%	0.306	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.2	-176.3	-60.8	174.7	-177.2	173.3	2.4	114.3	C460 E462 Y465 G466 C495	C460-R497 WeakPolarHBondContact O-CD 3.41Å; E462-R497 IonicContact OE1-CZ 3.2Å; E462-R497 IonicContact OE1-NE 3.87Å; E462-R497 IonicContact OE1-NH2 2.89Å; E462-R497 PolarHBondContact OE1-NH2 3.07Å; E462-R497 IonicContact OE2-CZ 2.67Å; E462-R497 IonicContact OE2-NE 3.94Å; E462-R497 PolarHBondContact OE2-NE 3.46Å; E462-R497 IonicContact OE2-NH2 3.18Å; E462-R497 PolarHBondContact OE2-NH2 2.83Å; Y465-R497 CarbonylContact C-O 2.92Å; Y465-R497 WeakPolarHBondContact CA-O 3.37Å; G466-R497 PolarHBondContact N-O 2.96Å; C495-R497 PolarHBondContact O-N 2.91Å
498	S	74.1	Confident	76.2	Confident	44 Å²	44	58.5 Å²	58.5	31%	0.308	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-28.3	179	78.6	0	0	0	0	114.4	D496	D496-S498 PolarHBondContact O-N 3.13Å; D496-S498 WeakPolarHBondContact OD1-CA 3.41Å; D496-S498 WeakPolarHBondContact OD1-CB 3.16Å; D496-S498 PolarHBondContact OD1-N 2.84Å; D496-S498 PolarHBondContact OD1-OG 3.02Å
499	S	79.3	Confident	76.5	Confident	50 Å²	50	54.9 Å²	54.9	35%	0.35	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-19.4	-172.4	62.6	0	0	0	0	114.6	Y465 D496 E501	Y465-S499 VanDerWaalsContact CD2-C 3.42Å; D496-S499 WeakPolarHBondContact CB-OG 3.48Å; D496-S499 PolarHBondContact O-N 2.97Å; D496-S499 WeakPolarHBondContact OD1-CB 3.42Å; D496-S499 PolarHBondContact OD1-N 2.81Å; D496-S499 PolarHBondContact OD1-OG 3.39Å; S499-E501 VanDerWaalsContact C-N 3.28Å; S499-E501 PolarHBondContact O-N 3.1Å
500	G	79.6	Confident	77.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.01	30%	0.302	C	S	.	.			trans	79.9	5.9	-179.9	0	0	0	0	0	114.9	Y465 D496	Y465-G500 VanDerWaalsContact CD1-CA 3.48Å; Y465-G500 VanDerWaalsContact CD2-CA 3.45Å; Y465-G500 VanDerWaalsContact CD2-N 3.26Å; D496-G500 WeakPolarHBondContact O-CA 3.42Å; D496-G500 PolarHBondContact O-N 3.46Å
501	E	83.9	Confident	77.7	Confident	70 Å²	70	49.4 Å²	49.4	33%	0.327	28%	0.282	S	S	.	.			trans	-68.5	134.1	176.8	172.5	156.3	-161.3	0	0	111.5	C495 D496 S499 L503 R512	C495-E501 CarbonylContact C-O 3.56Å; C495-E501 WeakPolarHBondContact CA-O 3.47Å; C495-E501 WeakPolarHBondContact CB-O 3.39Å; D496-E501 PolarHBondContact N-O 2.85Å; S499-E501 VanDerWaalsContact C-N 3.28Å; S499-E501 PolarHBondContact O-N 3.1Å; E501-L503 HydrophobicContact CG-CD2 4.46Å; E501-R512 HydrophobicContact CB-CG 3.98Å; E501-R512 HydrophobicContact CG-CG 3.61Å; E501-R512 IonicContact OE1-NE 3.14Å; E501-R512 IonicContact OE2-CZ 3.64Å; E501-R512 IonicContact OE2-NE 2.98Å; E501-R512 PolarHBondContact OE2-NE 2.76Å; E501-R512 IonicContact OE2-NH2 3.98Å; E501-R512 PolarHBondContact OE2-NH2 2.69Å
502	C	84.8	Confident	78.2	Confident	10 Å²	10	54 Å²	54	7%	0.068	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-88.9	115.1	-167.8	-55.6	0	0	0	0	111.1	C483 I487 R512	C483-C502 VanDerWaalsContact CA-SG 3.58Å; C483-C502 HydrophobicContact CB-CB 3.65Å; C483-C502 WeakPolarHBondContact CB-SG 3.5Å; C483-C502 WeakPolarHBondContact SG-CB 3.26Å; C483-C502 CovalentContact SG-SG 2.01Å; C483-C502 PolarHBondContact SG-SG 3.07Å; I487-C502 HydrophobicContact CG2-CB 4.3Å; C502-R512 WeakPolarHBondContact CB-O 3.14Å; C502-R512 PolarHBondContact N-O 2.58Å; C502-R512 PolarHBondContact SG-O 3.36Å; C502-R512 VanDerWaalsContact SG-O 3.39Å
503	L	80.3	Confident	79.2	Confident	101 Å²	101	55 Å²	55	53%	0.529	29%	0.285	S	S	.	.	S	Bend	trans	-95.7	-10.8	-166.4	-55.9	177.9	0	0	0	113.8	G493 S494 D496 E501	G493-L503 WeakPolarHBondContact O-CB 3.47Å; S494-L503 PolarHBondContact O-N 3.36Å; D496-L503 HydrophobicContact CB-CD1 4.24Å; D496-L503 HydrophobicContact CB-CD2 4.5Å; E501-L503 HydrophobicContact CG-CD2 4.46Å
504	R	77.3	Confident	79.8	Confident	146 Å²	146	53.9 Å²	53.9	55%	0.551	27%	0.274	S	S	*	.			trans	-139.2	64.4	-171.8	-67.1	-174.4	172	-178	-1.6	112.7	A492	A492-R504 PolarHBondContact O-NH1 2.96Å
505	C	80.4	Confident	80.2	Confident	37 Å²	37	58 Å²	58	25%	0.25	29%	0.293	C	S	.	.			trans	-68.8	135.8	179.4	-59.8	0	0	0	0	113	H486 T509 C514	H486-C505 WeakPolarHBondContact O-CA 3.18Å; C505-T509 WeakPolarHBondContact CB-O 3.47Å; C505-C514 WeakPolarHBondContact CA-SG 3.38Å; C505-C514 HydrophobicContact CB-CB 3.62Å; C505-C514 WeakPolarHBondContact CB-SG 3.34Å; C505-C514 WeakPolarHBondContact SG-CA 3.43Å; C505-C514 WeakPolarHBondContact SG-CB 3.35Å; C505-C514 CovalentContact SG-SG 2.03Å; C505-C514 PolarHBondContact SG-SG 3.44Å
506	L	76	Confident	80.1	Confident	88 Å²	88	60.8 Å²	60.8	46%	0.461	31%	0.312	S	S	.	.			trans	-105.1	-177.2	-177	-57.7	177.2	0	0	0	111.5	H486 N508 T509	H486-L506 WeakPolarHBondContact O-CB 3.28Å; H486-L506 PolarHBondContact O-N 2.79Å; L506-N508 PolarHBondContact O-N 2.82Å; L506-N508 VanDerWaalsContact O-N 3.1Å; L506-T509 WeakPolarHBondContact O-CB 3.27Å; L506-T509 WeakPolarHBondContact O-CG2 3.5Å; L506-T509 PolarHBondContact O-N 3.26Å; L506-T509 PolarHBondContact O-OG1 2.96Å
507	N	79.2	Confident	80.1	Confident	77 Å²	77	59.5 Å²	59.5	41%	0.412	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	29.1	175	-63.5	-4.1	0	0	0	115.6	T509 A529 C530	N507-T509 VanDerWaalsContact C-N 3.33Å; N507-T509 HydrophobicContact CB-CG2 4.35Å; N507-A529 HydrophobicContact CB-CB 3.84Å; N507-C530 PolarHBondContact O-N 2.84Å; N507-C530 VanDerWaalsContact O-N 3.11Å
508	N	82.6	Confident	80.1	Confident	72 Å²	72	58.6 Å²	58.6	39%	0.385	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	40.4	-171.4	-54.3	-35	0	0	0	113.3	L506 L518 F521 C530	L506-N508 PolarHBondContact O-N 2.82Å; L506-N508 VanDerWaalsContact O-N 3.1Å; N508-L518 HydrophobicContact CB-CD1 4.3Å; N508-L518 PolarHBondContact O-N 3.48Å; N508-F521 HydrophobicContact CB-CD1 3.91Å; N508-F521 HydrophobicContact CB-CE1 4.17Å; N508-F521 HydrophobicContact CB-CG 4.19Å; N508-F521 WeakPolarHBondContact ND2-CE1 3.47Å; N508-C530 HydrophobicContact CB-CB 4.11Å; N508-C530 PolarHBondContact ND2-O 3.03Å; N508-C530 VanDerWaalsContact ND2-O 3.09Å
509	T	79.5	Confident	80.2	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	164.6	178.3	66	0	0	0	0	113.4	C505 L506 N507 C514 S516	C505-T509 WeakPolarHBondContact CB-O 3.47Å; L506-T509 WeakPolarHBondContact O-CB 3.27Å; L506-T509 WeakPolarHBondContact O-CG2 3.5Å; L506-T509 PolarHBondContact O-N 3.26Å; L506-T509 PolarHBondContact O-OG1 2.96Å; N507-T509 VanDerWaalsContact C-N 3.33Å; N507-T509 HydrophobicContact CB-CG2 4.35Å; T509-C514 WeakPolarHBondContact CB-O 3.47Å; T509-C514 PolarHBondContact OG1-O 2.88Å; T509-S516 CarbonylContact C-O 3.49Å; T509-S516 WeakPolarHBondContact CA-O 3.49Å; T509-S516 WeakPolarHBondContact CB-O 3.43Å
510	T	78.9	Confident	80.1	Confident	56 Å²	56	65.1 Å²	65.1	34%	0.344	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	-176.5	-178.9	-162.5	0	0	0	0	110.6	C514 E515 S516 C517 L518	T510-C514 CarbonylContact O-C 3.59Å; T510-C514 WeakPolarHBondContact O-CA 3.23Å; T510-E515 PolarHBondContact O-N 3.44Å; T510-E515 VanDerWaalsContact O-N 3.16Å; T510-S516 PolarHBondContact N-O 3.41Å; T510-S516 PolarHBondContact O-N 3.17Å; T510-C517 WeakPolarHBondContact CG2-O 3.39Å; T510-L518 HydrophobicContact CG2-CD2 4.16Å
511	G	78.4	Confident	80.2	Confident	26 Å²	26	67.3 Å²	67.3	27%	0.268	34%	0.34	S	S	.	.	S	Bend	trans	95.2	168.5	-168.7	0	0	0	0	0	111.5	F513 C514 E515	G511-F513 PolarHBondContact O-N 3.31Å; G511-F513 VanDerWaalsContact O-N 3.09Å; G511-C514 PolarHBondContact O-N 3.05Å; G511-E515 VanDerWaalsContact C-OE2 3.29Å
512	R	80.1	Confident	80.2	Confident	129 Å²	129	66 Å²	66	49%	0.487	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.3	-165.7	-154.5	175.6	-160.4	-175.4	3.1	113.3	E501 C502 E515	E501-R512 HydrophobicContact CB-CG 3.98Å; E501-R512 HydrophobicContact CG-CG 3.61Å; E501-R512 IonicContact OE1-NE 3.14Å; E501-R512 IonicContact OE2-CZ 3.64Å; E501-R512 IonicContact OE2-NE 2.98Å; E501-R512 PolarHBondContact OE2-NE 2.76Å; E501-R512 IonicContact OE2-NH2 3.98Å; E501-R512 PolarHBondContact OE2-NH2 2.69Å; C502-R512 WeakPolarHBondContact CB-O 3.14Å; C502-R512 PolarHBondContact N-O 2.58Å; C502-R512 PolarHBondContact SG-O 3.36Å; C502-R512 VanDerWaalsContact SG-O 3.39Å; R512-E515 PolarHBondContact N-OE1 3.08Å; R512-E515 PolarHBondContact N-OE2 2.97Å
513	F	83.1	Confident	79.9	Confident	81 Å²	81	69.9 Å²	69.9	36%	0.355	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	24.3	178.4	-53.9	-69	0	0	0	111.2	C483 N484 G511 E515	C483-F513 CarbonylContact C-O 3.46Å; C483-F513 VanDerWaalsContact CA-O 3.22Å; C483-F513 WeakPolarHBondContact CA-O 3.24Å; N484-F513 PolarHBondContact N-O 3.16Å; N484-F513 WeakPolarHBondContact ND2-CB 3.35Å; N484-F513 PolarHBondContact ND2-O 3.06Å; G511-F513 PolarHBondContact O-N 3.31Å; G511-F513 VanDerWaalsContact O-N 3.09Å; F513-E515 WeakPolarHBondContact CA-OE2 3.42Å; F513-E515 WeakPolarHBondContact CB-OE2 3.42Å; F513-E515 PolarHBondContact N-OE2 3.42Å; F513-E515 PolarHBondContact O-N 3.25Å
514	C	82.3	Confident	79.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	58.6	26.7	-178.9	-49.6	0	0	0	0	114.6	H486 C505 T509 T510 G511	H486-C514 HydrophobicContact CB-CB 3.65Å; H486-C514 PolarHBondContact CD2-O 3.24Å; H486-C514 VanDerWaalsContact CD2-O 3.3Å; C505-C514 WeakPolarHBondContact CA-SG 3.38Å; C505-C514 HydrophobicContact CB-CB 3.62Å; C505-C514 WeakPolarHBondContact CB-SG 3.34Å; C505-C514 WeakPolarHBondContact SG-CA 3.43Å; C505-C514 WeakPolarHBondContact SG-CB 3.35Å; C505-C514 CovalentContact SG-SG 2.03Å; C505-C514 PolarHBondContact SG-SG 3.44Å; T509-C514 WeakPolarHBondContact CB-O 3.47Å; T509-C514 PolarHBondContact OG1-O 2.88Å; T510-C514 CarbonylContact O-C 3.59Å; T510-C514 WeakPolarHBondContact O-CA 3.23Å; G511-C514 PolarHBondContact O-N 3.05Å
515	E	79.7	Confident	78.4	Confident	89 Å²	89	66 Å²	66	42%	0.416	34%	0.343	S	S	.	.			trans	-74.1	-24.7	-172.6	64.9	-82.8	-168.8	0	0	115.1	T510 G511 R512 F513	T510-E515 PolarHBondContact O-N 3.44Å; T510-E515 VanDerWaalsContact O-N 3.16Å; G511-E515 VanDerWaalsContact C-OE2 3.29Å; R512-E515 PolarHBondContact N-OE1 3.08Å; R512-E515 PolarHBondContact N-OE2 2.97Å; F513-E515 WeakPolarHBondContact CA-OE2 3.42Å; F513-E515 WeakPolarHBondContact CB-OE2 3.42Å; F513-E515 PolarHBondContact N-OE2 3.42Å; F513-E515 PolarHBondContact O-N 3.25Å
516	S	79.9	Confident	77.2	Confident	61 Å²	61	69 Å²	69	43%	0.427	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	161.8	-173.2	-65.2	0	0	0	0	111.9	T509 T510	T509-S516 CarbonylContact C-O 3.49Å; T509-S516 WeakPolarHBondContact CA-O 3.49Å; T509-S516 WeakPolarHBondContact CB-O 3.43Å; T510-S516 PolarHBondContact N-O 3.41Å; T510-S516 PolarHBondContact O-N 3.17Å
517	C	83.6	Confident	76.5	Confident	28 Å²	28	66.3 Å²	66.3	19%	0.189	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	150.3	164.6	-64.9	0	0	0	0	110.8	T510 F521 C530	T510-C517 WeakPolarHBondContact CG2-O 3.39Å; C517-F521 HydrophobicContact CB-CB 4.32Å; C517-F521 WeakPolarHBondContact CB-O 3.36Å; C517-C530 WeakPolarHBondContact CA-SG 3.37Å; C517-C530 HydrophobicContact CB-CB 3.62Å; C517-C530 WeakPolarHBondContact CB-SG 3.22Å; C517-C530 WeakPolarHBondContact SG-CB 3.48Å; C517-C530 CovalentContact SG-SG 2.04Å; C517-C530 PolarHBondContact SG-SG 3.12Å
518	L	79.5	Confident	75.8	Confident	61 Å²	61	67.6 Å²	67.6	32%	0.319	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-58	149.7	167	-79.8	168.5	0	0	0	110.8	N508 T510 F521	N508-L518 HydrophobicContact CB-CD1 4.3Å; N508-L518 PolarHBondContact O-N 3.48Å; T510-L518 HydrophobicContact CG2-CD2 4.16Å; L518-F521 HydrophobicContact CB-CD2 3.96Å; L518-F521 WeakPolarHBondContact O-CB 3.5Å; L518-F521 PolarHBondContact O-N 3.14Å; L518-F521 VanDerWaalsContact O-N 3.08Å
519	P	74.9	Confident	75.2	Confident	91 Å²	91	66 Å²	66	59%	0.591	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	142.7	167.8	-23	33.7	0	0	0	111.1	F521	P519-F521 VanDerWaalsContact C-N 3.33Å; P519-F521 WeakPolarHBondContact O-CD2 3.42Å
520	R	78.3	Confident	75.2	Confident	140 Å²	140	66.1 Å²	66.1	53%	0.528	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	10.4	-168.4	-51.8	168.3	-179.2	-178.7	-9.8	115.2	P532 C533 D543	R520-P532 CarbonylContact O-C 3.32Å; R520-P532 WeakPolarHBondContact O-CA 3.47Å; R520-C533 VanDerWaalsContact C-SG 3.53Å; R520-C533 PolarHBondContact O-N 3.11Å; R520-C533 PolarHBondContact O-SG 3.37Å; R520-D543 WeakPolarHBondContact CD-OD1 3.38Å; R520-D543 HydrophobicContact CG-CB 3.98Å; R520-D543 WeakPolarHBondContact CG-OD1 3.17Å; R520-D543 IonicContact CZ-OD1 3.73Å; R520-D543 IonicContact CZ-OD2 3.31Å; R520-D543 VanDerWaalsContact CZ-OD2 3.26Å; R520-D543 IonicContact NE-OD1 2.54Å; R520-D543 PolarHBondContact NE-OD1 2.87Å; R520-D543 IonicContact NE-OD2 2.74Å; R520-D543 PolarHBondContact NE-OD2 3.42Å; R520-D543 IonicContact NH2-OD1 3.9Å; R520-D543 IonicContact NH2-OD2 2.75Å; R520-D543 PolarHBondContact NH2-OD2 3.3Å
521	F	82.7	Confident	75.2	Confident	48 Å²	48	68.1 Å²	68.1	21%	0.211	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.6	176.9	-59.7	-105.9	0	0	0	112.5	N508 C517 L518 P519 C530 K531 P532 Q544	N508-F521 HydrophobicContact CB-CD1 3.91Å; N508-F521 HydrophobicContact CB-CE1 4.17Å; N508-F521 HydrophobicContact CB-CG 4.19Å; N508-F521 WeakPolarHBondContact ND2-CE1 3.47Å; C517-F521 HydrophobicContact CB-CB 4.32Å; C517-F521 WeakPolarHBondContact CB-O 3.36Å; L518-F521 HydrophobicContact CB-CD2 3.96Å; L518-F521 WeakPolarHBondContact O-CB 3.5Å; L518-F521 PolarHBondContact O-N 3.14Å; L518-F521 VanDerWaalsContact O-N 3.08Å; P519-F521 VanDerWaalsContact C-N 3.33Å; P519-F521 WeakPolarHBondContact O-CD2 3.42Å; F521-C530 HydrophobicContact CB-CB 3.81Å; F521-K531 CarbonylContact C-O 2.98Å; F521-K531 WeakPolarHBondContact CA-O 3.45Å; F521-K531 WeakPolarHBondContact CB-O 3.44Å; F521-K531 VanDerWaalsContact CD1-C 3.48Å; F521-P532 HydrophobicContact CD1-CB 4.02Å; F521-P532 HydrophobicContact CE1-CB 3.78Å; F521-P532 HydrophobicContact CE1-CG 4.37Å; F521-P532 HydrophobicContact CZ-CB 4.35Å; F521-Q544 PolarHBondContact O-NE2 3.06Å; F521-Q544 PolarHBondContact O-OE1 3.35Å
522	Y	83.8	Confident	75.2	Confident	43 Å²	43	70.1 Å²	70.1	17%	0.169	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	163	174.8	76.7	-74.6	0	0	0	111.3	D524 C530 K531 C545	Y522-D524 HydrophobicContact CE2-CB 4.37Å; Y522-C530 CarbonylContact O-C 3.45Å; Y522-C530 VanDerWaalsContact O-CA 3.27Å; Y522-C530 WeakPolarHBondContact O-CA 3.17Å; Y522-K531 HydrophobicContact CD1-CB 4.46Å; Y522-K531 WeakPolarHBondContact CD1-O 3.37Å; Y522-K531 HydrophobicContact CE1-CB 4.02Å; Y522-K531 PolarHBondContact N-O 2.96Å; Y522-K531 PolarHBondContact O-N 2.94Å; Y522-C545 VanDerWaalsContact CD1-SG 3.5Å
523	R	76.9	Confident	75.3	Confident	90 Å²	90	64.1 Å²	64.1	34%	0.34	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	111.7	178	-162.5	170.8	-68.7	-133.8	1.3	109.7	H486	H486-R523 PolarHBondContact NE2-NH1 3.04Å; H486-R523 PolarHBondContact NE2-NH2 3.09Å
524	D	67.5	Low	75.2	Confident	37 Å²	37	63.2 Å²	63.2	20%	0.198	36%	0.361	C	S	.	.			trans	-68.2	136	176.4	-163.7	22.5	0	0	0	109.8	Y522 S526 G527 K531	Y522-D524 HydrophobicContact CE2-CB 4.37Å; D524-S526 PolarHBondContact O-N 3.35Å; D524-S526 PolarHBondContact OD2-OG 2.85Å; D524-G527 PolarHBondContact O-N 2.66Å; D524-K531 HydrophobicContact CB-CD 3.98Å; D524-K531 WeakPolarHBondContact OD2-CE 3.45Å; D524-K531 IonicContact OD2-NZ 3.86Å; D524-K531 PolarHBondContact OD2-NZ 3.38Å
525	P	59.4	Low	75.1	Confident	128 Å²	128	63.9 Å²	63.9	83%	0.831	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-10.3	-172.9	-27.6	36.8	0	0	0	116.2
526	S	55.4	Low	74.8	Confident	102 Å²	102	62.2 Å²	62.2	71%	0.713	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.7	-179.9	56.5	0	0	0	0	114.3	D524	D524-S526 PolarHBondContact O-N 3.35Å; D524-S526 PolarHBondContact OD2-OG 2.85Å
527	G	60.3	Low	74.2	Confident	31 Å²	31	65.6 Å²	65.6	32%	0.32	37%	0.371	S	S	.	.			trans	-137.9	148.4	-170.2	0	0	0	0	0	116.1	D524	D524-G527 PolarHBondContact O-N 2.66Å
528	T	64.6	Low	73.1	Confident	103 Å²	103	70.4 Å²	70.4	63%	0.632	39%	0.394	S	S	*	.	S	Bend	trans	-89	-3.5	178.4	51.4	0	0	0	0	114.6	H486	H486-T528 PolarHBondContact CE1-O 2.98Å
529	A	70.6	Confident	72.6	Confident	40 Å²	40	67.5 Å²	67.5	33%	0.331	38%	0.379	S	S	.	.	S	Bend	trans	-122.7	149.7	-179.9	0	0	0	0	0	111.2	N507	N507-A529 HydrophobicContact CB-CB 3.84Å
530	C	80.5	Confident	72.7	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.034	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	133	-173.5	-54.2	0	0	0	0	112.3	N507 N508 C517 F521 Y522	N507-C530 PolarHBondContact O-N 2.84Å; N507-C530 VanDerWaalsContact O-N 3.11Å; N508-C530 HydrophobicContact CB-CB 4.11Å; N508-C530 PolarHBondContact ND2-O 3.03Å; N508-C530 VanDerWaalsContact ND2-O 3.09Å; C517-C530 WeakPolarHBondContact CA-SG 3.37Å; C517-C530 HydrophobicContact CB-CB 3.62Å; C517-C530 WeakPolarHBondContact CB-SG 3.22Å; C517-C530 WeakPolarHBondContact SG-CB 3.48Å; C517-C530 CovalentContact SG-SG 2.04Å; C517-C530 PolarHBondContact SG-SG 3.12Å; F521-C530 HydrophobicContact CB-CB 3.81Å; Y522-C530 CarbonylContact O-C 3.45Å; Y522-C530 VanDerWaalsContact O-CA 3.27Å; Y522-C530 WeakPolarHBondContact O-CA 3.17Å
531	K	78.1	Confident	72.4	Confident	97 Å²	97	60.6 Å²	60.6	42%	0.422	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	145.4	-179.3	-67.3	-173.3	-179.1	176.1	0	111.2	F521 Y522 D524	F521-K531 CarbonylContact C-O 2.98Å; F521-K531 WeakPolarHBondContact CA-O 3.45Å; F521-K531 WeakPolarHBondContact CB-O 3.44Å; F521-K531 VanDerWaalsContact CD1-C 3.48Å; Y522-K531 HydrophobicContact CD1-CB 4.46Å; Y522-K531 WeakPolarHBondContact CD1-O 3.37Å; Y522-K531 HydrophobicContact CE1-CB 4.02Å; Y522-K531 PolarHBondContact N-O 2.96Å; Y522-K531 PolarHBondContact O-N 2.94Å; D524-K531 HydrophobicContact CB-CD 3.98Å; D524-K531 WeakPolarHBondContact OD2-CE 3.45Å; D524-K531 IonicContact OD2-NZ 3.86Å; D524-K531 PolarHBondContact OD2-NZ 3.38Å
532	P	79	Confident	71.8	Confident	69 Å²	69	62.4 Å²	62.4	45%	0.448	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141	-178.8	28	-34.5	0	0	0	112	R520 F521	R520-P532 CarbonylContact O-C 3.32Å; R520-P532 WeakPolarHBondContact O-CA 3.47Å; F521-P532 HydrophobicContact CD1-CB 4.02Å; F521-P532 HydrophobicContact CE1-CB 3.78Å; F521-P532 HydrophobicContact CE1-CG 4.37Å; F521-P532 HydrophobicContact CZ-CB 4.35Å
533	C	81.4	Confident	71.3	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.014	36%	0.36	C	S	.	.			trans	-69.3	-35.7	177.7	-68.1	0	0	0	0	112.9	R520 C535 C545	R520-C533 VanDerWaalsContact C-SG 3.53Å; R520-C533 PolarHBondContact O-N 3.11Å; R520-C533 PolarHBondContact O-SG 3.37Å; C533-C535 PolarHBondContact O-N 3.39Å; C533-C545 VanDerWaalsContact CA-SG 3.54Å; C533-C545 HydrophobicContact CB-CB 3.58Å; C533-C545 WeakPolarHBondContact CB-SG 3.35Å; C533-C545 WeakPolarHBondContact SG-CB 3.36Å; C533-C545 PolarHBondContact SG-N 3.03Å; C533-C545 CovalentContact SG-SG 2.03Å; C533-C545 PolarHBondContact SG-SG 3.5Å
534	S	80.1	Confident	71.5	Confident	63 Å²	63	60.8 Å²	60.8	44%	0.441	36%	0.356	S	S	.	.			trans	53	39.5	-177.8	-56.2	0	0	0	0	113.8	R561	S534-R561 VanDerWaalsContact CB-CZ 3.43Å; S534-R561 VanDerWaalsContact O-CD 3.27Å; S534-R561 WeakPolarHBondContact O-CD 3.5Å; S534-R561 WeakPolarHBondContact O-CG 3.4Å
535	C	80.8	Confident	72.3	Confident	13 Å²	13	59.6 Å²	59.6	9%	0.088	35%	0.35	C	S	.	.			trans	-64.2	141.9	173.8	-63.8	0	0	0	0	112	C533 I537 S540 D543 C551	C533-C535 PolarHBondContact O-N 3.39Å; C535-I537 PolarHBondContact O-N 2.8Å; C535-S540 WeakPolarHBondContact CB-OG 3.18Å; C535-D543 HydrophobicContact CB-CB 4.49Å; C535-D543 PolarHBondContact SG-O 2.93Å; C535-D543 VanDerWaalsContact SG-O 3.4Å; C535-C551 WeakPolarHBondContact CA-SG 3.35Å; C535-C551 HydrophobicContact CB-CB 3.88Å; C535-C551 WeakPolarHBondContact CB-SG 2.99Å; C535-C551 WeakPolarHBondContact SG-CB 3.23Å; C535-C551 CovalentContact SG-SG 2.03Å; C535-C551 PolarHBondContact SG-SG 3.13Å
536	N	74.6	Confident	73.4	Confident	55 Å²	55	56.4 Å²	56.4	29%	0.294	33%	0.326	S	S	.	.			trans	-69.9	113.9	171.9	-177.3	-53.3	0	0	0	109.2	L538 G539 S540 R561 D563	N536-L538 PolarHBondContact O-N 3.26Å; N536-L538 VanDerWaalsContact O-N 3.09Å; N536-L538 WeakPolarHBondContact OD1-CB 3.16Å; N536-L538 PolarHBondContact OD1-N 2.73Å; N536-G539 PolarHBondContact O-N 3.08Å; N536-G539 VanDerWaalsContact O-N 3.12Å; N536-G539 PolarHBondContact OD1-N 3.43Å; N536-S540 WeakPolarHBondContact O-CB 3.11Å; N536-S540 PolarHBondContact O-N 2.81Å; N536-S540 PolarHBondContact O-OG 3.41Å; N536-R561 WeakPolarHBondContact CB-O 3.43Å; N536-R561 PolarHBondContact N-O 2.91Å; N536-D563 HydrophobicContact CB-CB 4.47Å
537	I	66.4	Low	74.2	Confident	132 Å²	132	55.7 Å²	55.7	68%	0.677	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.6	-173.9	59.6	171.9	0	0	0	115.1	C535	C535-I537 PolarHBondContact O-N 2.8Å
538	L	60.2	Low	74.9	Confident	129 Å²	129	57.1 Å²	57.1	68%	0.675	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-35.7	175.5	-58.1	179.4	0	0	0	111.8	N536	N536-L538 PolarHBondContact O-N 3.26Å; N536-L538 VanDerWaalsContact O-N 3.09Å; N536-L538 WeakPolarHBondContact OD1-CB 3.16Å; N536-L538 PolarHBondContact OD1-N 2.73Å
539	G	68.6	Low	75.5	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-20	-173.1	0	0	0	0	0	116.4	N536 R554 F557 C562	N536-G539 PolarHBondContact O-N 3.08Å; N536-G539 VanDerWaalsContact O-N 3.12Å; N536-G539 PolarHBondContact OD1-N 3.43Å; G539-R554 PolarHBondContact O-N 2.9Å; G539-F557 VanDerWaalsContact O-CB 3.26Å; G539-F557 WeakPolarHBondContact O-CB 3.43Å; G539-C562 WeakPolarHBondContact CA-O 3.36Å; G539-C562 WeakPolarHBondContact O-CB 3.36Å
540	S	77.3	Confident	76.2	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.014	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	145.5	176.2	-58.5	0	0	0	0	112.2	C535 N536 D542 C551 R552 R554 R561 C562	C535-S540 WeakPolarHBondContact CB-OG 3.18Å; N536-S540 WeakPolarHBondContact O-CB 3.11Å; N536-S540 PolarHBondContact O-N 2.81Å; N536-S540 PolarHBondContact O-OG 3.41Å; S540-D542 VanDerWaalsContact C-N 3.29Å; S540-D542 WeakPolarHBondContact CB-O 3.25Å; S540-D542 PolarHBondContact O-N 2.84Å; S540-C551 WeakPolarHBondContact OG-CB 3.49Å; S540-R552 CarbonylContact C-O 3.54Å; S540-R552 WeakPolarHBondContact CA-O 3.35Å; S540-R552 WeakPolarHBondContact CB-O 3.28Å; S540-R554 WeakPolarHBondContact O-CD 3.21Å; S540-R554 PolarHBondContact O-NE 2.81Å; S540-R561 PolarHBondContact OG-O 3.29Å; S540-C562 VanDerWaalsContact OG-CB 3.29Å; S540-C562 WeakPolarHBondContact OG-CB 3.15Å; S540-C562 PolarHBondContact OG-SG 3.05Å; S540-C562 VanDerWaalsContact OG-SG 3.41Å
541	E	72.7	Confident	76.4	Confident	84 Å²	84	58.5 Å²	58.5	39%	0.393	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-42.4	177.8	-65.6	-164.8	129	0	0	111	R552 R554	E541-R552 HydrophobicContact CB-CB 4.12Å; E541-R552 HydrophobicContact CG-CB 4.11Å; E541-R552 PolarHBondContact N-O 3.15Å; E541-R552 WeakPolarHBondContact OE2-CD 3.44Å; E541-R554 HydrophobicContact CB-CG 4.4Å; E541-R554 HydrophobicContact CG-CG 3.97Å; E541-R554 PolarHBondContact O-NH2 3.31Å
542	D	70.2	Confident	76.8	Confident	86 Å²	86	62.2 Å²	62.2	46%	0.46	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	176.2	163.1	97.7	93.7	0	0	0	109.2	S540 Q544	S540-D542 VanDerWaalsContact C-N 3.29Å; S540-D542 WeakPolarHBondContact CB-O 3.25Å; S540-D542 PolarHBondContact O-N 2.84Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.35Å; D542-Q544 PolarHBondContact OD1-N 3Å
543	D	73.1	Confident	76.8	Confident	44 Å²	44	60.8 Å²	60.8	24%	0.235	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-0.5	-173.7	41.5	52.6	0	0	0	113.9	R520 C535	R520-D543 WeakPolarHBondContact CD-OD1 3.38Å; R520-D543 HydrophobicContact CG-CB 3.98Å; R520-D543 WeakPolarHBondContact CG-OD1 3.17Å; R520-D543 IonicContact CZ-OD1 3.73Å; R520-D543 IonicContact CZ-OD2 3.31Å; R520-D543 VanDerWaalsContact CZ-OD2 3.26Å; R520-D543 IonicContact NE-OD1 2.54Å; R520-D543 PolarHBondContact NE-OD1 2.87Å; R520-D543 IonicContact NE-OD2 2.74Å; R520-D543 PolarHBondContact NE-OD2 3.42Å; R520-D543 IonicContact NH2-OD1 3.9Å; R520-D543 IonicContact NH2-OD2 2.75Å; R520-D543 PolarHBondContact NH2-OD2 3.3Å; C535-D543 HydrophobicContact CB-CB 4.49Å; C535-D543 PolarHBondContact SG-O 2.93Å; C535-D543 VanDerWaalsContact SG-O 3.4Å
544	Q	81.4	Confident	76	Confident	55 Å²	55	66.3 Å²	66.3	26%	0.257	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	154.8	162.4	-175.6	59.8	-4.5	0	0	112.2	F521 D542	F521-Q544 PolarHBondContact O-NE2 3.06Å; F521-Q544 PolarHBondContact O-OE1 3.35Å; D542-Q544 WeakPolarHBondContact OD1-CB 3.35Å; D542-Q544 PolarHBondContact OD1-N 3Å
545	C	82.8	Confident	74.7	Confident	12 Å²	12	68.7 Å²	68.7	8%	0.081	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	166.9	178.9	59.6	0	0	0	0	111.8	Y522 C533 R550	Y522-C545 VanDerWaalsContact CD1-SG 3.5Å; C533-C545 VanDerWaalsContact CA-SG 3.54Å; C533-C545 HydrophobicContact CB-CB 3.58Å; C533-C545 WeakPolarHBondContact CB-SG 3.35Å; C533-C545 WeakPolarHBondContact SG-CB 3.36Å; C533-C545 PolarHBondContact SG-N 3.03Å; C533-C545 CovalentContact SG-SG 2.03Å; C533-C545 PolarHBondContact SG-SG 3.5Å; C545-R550 CarbonylContact C-O 3.49Å; C545-R550 WeakPolarHBondContact CA-O 3.32Å; C545-R550 WeakPolarHBondContact CB-O 3.49Å
546	D	82.6	Confident	73.3	Confident	60 Å²	60	69 Å²	69	32%	0.321	37%	0.368	S	S	.	.			trans	-64.4	169.4	171.2	79.2	-0.7	0	0	0	111.8	A548 G549 R550	D546-A548 PolarHBondContact O-N 2.87Å; D546-A548 VanDerWaalsContact OD1-C 3.26Å; D546-A548 WeakPolarHBondContact OD1-CA 3.36Å; D546-A548 WeakPolarHBondContact OD1-CB 3.49Å; D546-A548 PolarHBondContact OD1-N 3.33Å; D546-G549 PolarHBondContact O-N 3.32Å; D546-G549 PolarHBondContact OD1-N 2.98Å; D546-R550 PolarHBondContact N-O 3.14Å; D546-R550 PolarHBondContact OD1-N 3.1Å; D546-R550 IonicContact OD1-NE 3.41Å; D546-R550 IonicContact OD2-CZ 2.79Å; D546-R550 IonicContact OD2-NE 3.16Å; D546-R550 PolarHBondContact OD2-NE 3.47Å; D546-R550 IonicContact OD2-NH2 3.94Å; D546-R550 PolarHBondContact OD2-NH2 3.29Å
547	A	72.3	Confident	72.8	Confident	87 Å²	87	68.5 Å²	68.5	72%	0.719	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.1	178.9	0	0	0	0	0	114.3
548	A	75.2	Confident	73	Confident	62 Å²	62	67.3 Å²	67.3	51%	0.512	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	7.8	174.4	0	0	0	0	0	113	D546	D546-A548 PolarHBondContact O-N 2.87Å; D546-A548 VanDerWaalsContact OD1-C 3.26Å; D546-A548 WeakPolarHBondContact OD1-CA 3.36Å; D546-A548 WeakPolarHBondContact OD1-CB 3.49Å; D546-A548 PolarHBondContact OD1-N 3.33Å
549	G	78.1	Confident	73.5	Confident	16 Å²	16	62.6 Å²	62.6	17%	0.165	34%	0.338	C	S	.	.	S	Bend	trans	88.9	12.3	175.2	0	0	0	0	0	115.8	D546	D546-G549 PolarHBondContact O-N 3.32Å; D546-G549 PolarHBondContact OD1-N 2.98Å
550	R	84.2	Confident	73.7	Confident	147 Å²	147	66.9 Å²	66.9	56%	0.555	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-101	130.4	-178.7	-63.1	173	-62.1	-163.3	0.1	112.6	C545 D546	C545-R550 CarbonylContact C-O 3.49Å; C545-R550 WeakPolarHBondContact CA-O 3.32Å; C545-R550 WeakPolarHBondContact CB-O 3.49Å; D546-R550 PolarHBondContact N-O 3.14Å; D546-R550 PolarHBondContact OD1-N 3.1Å; D546-R550 IonicContact OD1-NE 3.41Å; D546-R550 IonicContact OD2-CZ 2.79Å; D546-R550 IonicContact OD2-NE 3.16Å; D546-R550 PolarHBondContact OD2-NE 3.47Å; D546-R550 IonicContact OD2-NH2 3.94Å; D546-R550 PolarHBondContact OD2-NH2 3.29Å
551	C	86.4	Confident	73.9	Confident	13 Å²	13	72.7 Å²	72.7	9%	0.088	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	149.3	178	-51.5	0	0	0	0	111.2	C535 S540 P560	C535-C551 WeakPolarHBondContact CA-SG 3.35Å; C535-C551 HydrophobicContact CB-CB 3.88Å; C535-C551 WeakPolarHBondContact CB-SG 2.99Å; C535-C551 WeakPolarHBondContact SG-CB 3.23Å; C535-C551 CovalentContact SG-SG 2.03Å; C535-C551 PolarHBondContact SG-SG 3.13Å; S540-C551 WeakPolarHBondContact OG-CB 3.49Å; C551-P560 PolarHBondContact N-O 2.87Å
552	R	85.4	Confident	73.9	Confident	176 Å²	176	68.7 Å²	68.7	66%	0.664	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.9	164	-73.6	-171.2	-176.2	168.2	4.4	109.2	S540 E541 C562	S540-R552 CarbonylContact C-O 3.54Å; S540-R552 WeakPolarHBondContact CA-O 3.35Å; S540-R552 WeakPolarHBondContact CB-O 3.28Å; E541-R552 HydrophobicContact CB-CB 4.12Å; E541-R552 HydrophobicContact CG-CB 4.11Å; E541-R552 PolarHBondContact N-O 3.15Å; E541-R552 WeakPolarHBondContact OE2-CD 3.44Å; R552-C562 PolarHBondContact O-SG 2.88Å
553	C	79.6	Confident	73.9	Confident	38 Å²	38	68.3 Å²	68.3	26%	0.257	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.6	-179.8	-50.6	0	0	0	0	111.2	F557 G559 C562	C553-F557 HydrophobicContact CB-CB 4.27Å; C553-F557 WeakPolarHBondContact CB-O 3.49Å; C553-G559 PolarHBondContact SG-O 2.84Å; C553-C562 WeakPolarHBondContact CA-SG 3.26Å; C553-C562 HydrophobicContact CB-CB 3.6Å; C553-C562 WeakPolarHBondContact CB-SG 3.22Å; C553-C562 PolarHBondContact N-SG 3.09Å; C553-C562 WeakPolarHBondContact SG-CA 3.38Å; C553-C562 WeakPolarHBondContact SG-CB 3.41Å; C553-C562 CovalentContact SG-SG 2.04Å; C553-C562 PolarHBondContact SG-SG 2.92Å
554	R	63.3	Low	73.4	Confident	119 Å²	119	74.1 Å²	74.1	45%	0.449	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-59.3	149.6	172.4	-72	174.2	-177.4	-99.5	-8.6	109.4	G539 S540 E541 G556 F557	G539-R554 PolarHBondContact O-N 2.9Å; S540-R554 WeakPolarHBondContact O-CD 3.21Å; S540-R554 PolarHBondContact O-NE 2.81Å; E541-R554 HydrophobicContact CB-CG 4.4Å; E541-R554 HydrophobicContact CG-CG 3.97Å; E541-R554 PolarHBondContact O-NH2 3.31Å; R554-G556 PolarHBondContact O-N 3.37Å; R554-G556 VanDerWaalsContact O-N 3.12Å; R554-F557 HydrophobicContact CB-CD2 4.01Å; R554-F557 PolarHBondContact O-N 3.03Å
555	P	53	Low	72	Confident	113 Å²	113	75.8 Å²	75.8	73%	0.734	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	121.8	170.1	-26.9	35.3	0	0	0	110.4
556	G	53	Low	70.6	Confident	18 Å²	18	80.5 Å²	80.5	19%	0.186	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	27.3	-170.6	0	0	0	0	0	115	R554 D566 C567	R554-G556 PolarHBondContact O-N 3.37Å; R554-G556 VanDerWaalsContact O-N 3.12Å; G556-D566 WeakPolarHBondContact CA-O 2.82Å; G556-D566 CarbonylContact O-C 3.29Å; G556-D566 WeakPolarHBondContact O-CA 3.06Å; G556-D566 PolarHBondContact O-N 2.87Å; G556-C567 WeakPolarHBondContact O-CA 3.03Å; G556-C567 PolarHBondContact O-N 3.25Å; G556-C567 VanDerWaalsContact O-N 3.12Å
557	F	62.2	Low	68.8	Low	45 Å²	45	81.3 Å²	81.3	20%	0.197	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.4	166	-74.8	-96.4	0	0	0	110.6	G539 C553 R554 R564 S565 C567	G539-F557 VanDerWaalsContact O-CB 3.26Å; G539-F557 WeakPolarHBondContact O-CB 3.43Å; C553-F557 HydrophobicContact CB-CB 4.27Å; C553-F557 WeakPolarHBondContact CB-O 3.49Å; R554-F557 HydrophobicContact CB-CD2 4.01Å; R554-F557 PolarHBondContact O-N 3.03Å; F557-R564 CarbonylContact C-O 3.57Å; F557-R564 VanDerWaalsContact CA-O 3.27Å; F557-R564 WeakPolarHBondContact CA-O 3.5Å; F557-S565 VanDerWaalsContact CD1-CA 3.49Å; F557-S565 VanDerWaalsContact CE1-CB 3.45Å; F557-C567 HydrophobicContact CE2-CB 3.95Å; F557-C567 HydrophobicContact CZ-CB 4.25Å
558	Q	70.6	Confident	67.7	Low	108 Å²	108	80.5 Å²	80.5	51%	0.505	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	162.3	-172.4	52.9	-177.3	-40.9	0	0	113.8	C562 D563 R564	Q558-C562 CarbonylContact O-C 3.5Å; Q558-C562 WeakPolarHBondContact O-CA 3.24Å; Q558-D563 PolarHBondContact O-N 2.9Å; Q558-R564 HydrophobicContact CG-CB 4.12Å; Q558-R564 PolarHBondContact N-O 2.95Å; Q558-R564 WeakPolarHBondContact O-CB 3.16Å; Q558-R564 PolarHBondContact O-N 3.47Å
559	G	72.2	Confident	66.5	Low	29 Å²	29	79.3 Å²	79.3	30%	0.299	41%	0.41	S	S	.	.	S	Bend	trans	109.4	160.6	-173	0	0	0	0	0	112.3	C553 R561 C562	C553-G559 PolarHBondContact SG-O 2.84Å; G559-R561 PolarHBondContact O-N 3.04Å; G559-C562 PolarHBondContact O-N 3.33Å
560	P	73.1	Confident	65	Low	90 Å²	90	82.7 Å²	82.7	58%	0.584	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.8	-178	28.1	-35.3	0	0	0	113.4	C551	C551-P560 PolarHBondContact N-O 2.87Å
561	R	79.8	Confident	63.3	Low	124 Å²	124	77.1 Å²	77.1	47%	0.468	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	8.7	172.1	-71.1	176.2	171	-174.5	-1.7	112.9	S534 N536 S540 G559 D563	S534-R561 VanDerWaalsContact CB-CZ 3.43Å; S534-R561 VanDerWaalsContact O-CD 3.27Å; S534-R561 WeakPolarHBondContact O-CD 3.5Å; S534-R561 WeakPolarHBondContact O-CG 3.4Å; N536-R561 WeakPolarHBondContact CB-O 3.43Å; N536-R561 PolarHBondContact N-O 2.91Å; S540-R561 PolarHBondContact OG-O 3.29Å; G559-R561 PolarHBondContact O-N 3.04Å; R561-D563 PolarHBondContact O-N 2.9Å
562	C	73.8	Confident	61.6	Low	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.411	C	S	.	.			trans	55.6	30.8	179.8	-45.3	0	0	0	0	114.2	G539 S540 R552 C553 Q558 G559 R564	G539-C562 WeakPolarHBondContact CA-O 3.36Å; G539-C562 WeakPolarHBondContact O-CB 3.36Å; S540-C562 VanDerWaalsContact OG-CB 3.29Å; S540-C562 WeakPolarHBondContact OG-CB 3.15Å; S540-C562 PolarHBondContact OG-SG 3.05Å; S540-C562 VanDerWaalsContact OG-SG 3.41Å; R552-C562 PolarHBondContact O-SG 2.88Å; C553-C562 WeakPolarHBondContact CA-SG 3.26Å; C553-C562 HydrophobicContact CB-CB 3.6Å; C553-C562 WeakPolarHBondContact CB-SG 3.22Å; C553-C562 PolarHBondContact N-SG 3.09Å; C553-C562 WeakPolarHBondContact SG-CA 3.38Å; C553-C562 WeakPolarHBondContact SG-CB 3.41Å; C553-C562 CovalentContact SG-SG 2.04Å; C553-C562 PolarHBondContact SG-SG 2.92Å; Q558-C562 CarbonylContact O-C 3.5Å; Q558-C562 WeakPolarHBondContact O-CA 3.24Å; G559-C562 PolarHBondContact O-N 3.33Å; C562-R564 PolarHBondContact O-N 2.87Å
563	D	70.3	Confident	59.9	Low	78 Å²	78	71.8 Å²	71.8	42%	0.417	40%	0.398	S	S	.	.			trans	-72	-10.4	-174.9	50.2	-64.2	0	0	0	114.3	N536 Q558 R561	N536-D563 HydrophobicContact CB-CB 4.47Å; Q558-D563 PolarHBondContact O-N 2.9Å; R561-D563 PolarHBondContact O-N 2.9Å
564	R	62.1	Low	58.4	Low	167 Å²	167	70.7 Å²	70.7	63%	0.63	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.9	-172.5	-52.7	177.2	-175.1	-160.7	-6.4	110.6	F557 Q558 C562	F557-R564 CarbonylContact C-O 3.57Å; F557-R564 VanDerWaalsContact CA-O 3.27Å; F557-R564 WeakPolarHBondContact CA-O 3.5Å; Q558-R564 HydrophobicContact CG-CB 4.12Å; Q558-R564 PolarHBondContact N-O 2.95Å; Q558-R564 WeakPolarHBondContact O-CB 3.16Å; Q558-R564 PolarHBondContact O-N 3.47Å; C562-R564 PolarHBondContact O-N 2.87Å
565	S	52.7	Low	58.1	Low	89 Å²	89	67.2 Å²	67.2	62%	0.622	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	129.1	178.3	60	0	0	0	0	112.7	F557	F557-S565 VanDerWaalsContact CD1-CA 3.49Å; F557-S565 VanDerWaalsContact CE1-CB 3.45Å
566	D	53.4	Low	58.3	Low	111 Å²	111	68.4 Å²	68.4	59%	0.594	37%	0.37	S	S	*	.			trans	-119.8	42.2	163.8	-172.4	31.7	0	0	0	108.5	G556 P568	G556-D566 WeakPolarHBondContact CA-O 2.82Å; G556-D566 CarbonylContact O-C 3.29Å; G556-D566 WeakPolarHBondContact O-CA 3.06Å; G556-D566 PolarHBondContact O-N 2.87Å; D566-P568 WeakPolarHBondContact O-CD 3.45Å
567	C	44.1	Very low	58.4	Low	78 Å²	78	69.9 Å²	69.9	53%	0.527	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-85.7	117	-162.3	-160.9	0	0	0	0	110.5	G556 F557	G556-C567 WeakPolarHBondContact O-CA 3.03Å; G556-C567 PolarHBondContact O-N 3.25Å; G556-C567 VanDerWaalsContact O-N 3.12Å; F557-C567 HydrophobicContact CE2-CB 3.95Å; F557-C567 HydrophobicContact CZ-CB 4.25Å
568	P	49.1	Very low	57.9	Low	69 Å²	69	69.4 Å²	69.4	45%	0.448	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-73.2	149.2	173.5	33.2	-35.5	0	0	0	110	D566 T572	D566-P568 WeakPolarHBondContact O-CD 3.45Å; P568-T572 HydrophobicContact CB-CG2 3.87Å
569	T	50.8	Low	57.2	Low	37 Å²	37	68.3 Å²	68.3	23%	0.227	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-70.6	170	-176.4	75.1	0	0	0	0	112.1	F571 T572 P573 E1096	T569-F571 PolarHBondContact O-N 3.48Å; T569-T572 PolarHBondContact N-OG1 3.49Å; T569-T572 VanDerWaalsContact N-OG1 3.1Å; T569-T572 PolarHBondContact O-N 3.01Å; T569-T572 VanDerWaalsContact O-N 3.1Å; T569-T572 PolarHBondContact O-OG1 3.48Å; T569-T572 PolarHBondContact OG1-OG1 3.38Å; T569-P573 WeakPolarHBondContact O-CD 3.28Å; T569-E1096 WeakPolarHBondContact CB-OE1 3.28Å; T569-E1096 HydrophobicContact CG2-CB 4.49Å; T569-E1096 HydrophobicContact CG2-CG 3.77Å; T569-E1096 VanDerWaalsContact CG2-OE1 3.25Å; T569-E1096 WeakPolarHBondContact CG2-OE1 3.13Å; T569-E1096 VanDerWaalsContact OG1-CD 3.25Å; T569-E1096 PolarHBondContact OG1-OE1 3.01Å
570	C	45.7	Very low	56.4	Low	87 Å²	87	71 Å²	71	59%	0.588	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.8	-175.1	-64.9	0	0	0	0	114.1
571	F	48.9	Very low	55.4	Low	30 Å²	30	68 Å²	68	13%	0.132	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-21.4	-177.7	-53.1	-46.7	0	0	0	113.9	T569 P573 I574 R575 A1031 M1092 Q1095	T569-F571 PolarHBondContact O-N 3.48Å; F571-P573 VanDerWaalsContact C-CD 3.45Å; F571-I574 WeakPolarHBondContact O-CB 3.1Å; F571-I574 PolarHBondContact O-N 2.95Å; F571-R575 PolarHBondContact O-N 3.44Å; F571-A1031 HydrophobicContact CE1-CB 3.62Å; F571-A1031 HydrophobicContact CZ-CB 3.78Å; F571-M1092 HydrophobicContact CB-CE 3.96Å; F571-M1092 HydrophobicContact CD1-CE 3.42Å; F571-M1092 VanDerWaalsContact CD1-CE 3.42Å; F571-M1092 HydrophobicContact CE1-CE 4.12Å; F571-M1092 HydrophobicContact CG-CE 3.79Å; F571-Q1095 HydrophobicContact CE2-CB 4.32Å
572	T	51.4	Low	54.1	Low	16 Å²	16	64.4 Å²	64.4	10%	0.098	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-38.2	-177.4	-41.6	0	0	0	0	114.6	P568 T569 I574 K576 E1096	P568-T572 HydrophobicContact CB-CG2 3.87Å; T569-T572 PolarHBondContact N-OG1 3.49Å; T569-T572 VanDerWaalsContact N-OG1 3.1Å; T569-T572 PolarHBondContact O-N 3.01Å; T569-T572 VanDerWaalsContact O-N 3.1Å; T569-T572 PolarHBondContact O-OG1 3.48Å; T569-T572 PolarHBondContact OG1-OG1 3.38Å; T572-I574 VanDerWaalsContact C-N 3.33Å; T572-K576 WeakPolarHBondContact O-CB 3.4Å; T572-K576 PolarHBondContact O-N 3.41Å; T572-E1096 PolarHBondContact OG1-OE1 2.96Å
573	P	49.4	Very low	53.4	Low	62 Å²	62	69 Å²	69	40%	0.403	37%	0.367	S	S	.	.	H	α-helix	trans	-67	-34.9	176.1	-19.9	33.3	0	0	0	112.7	T569 F571 K577	T569-P573 WeakPolarHBondContact O-CD 3.28Å; F571-P573 VanDerWaalsContact C-CD 3.45Å; P573-K577 PolarHBondContact O-N 3.09Å
574	I	48.3	Very low	52.7	Low	15 Å²	15	67 Å²	67	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-71.8	-49.4	177.7	-61.8	175.4	0	0	0	109.1	F571 T572 K576 K577 M578 L633 M1092	F571-I574 WeakPolarHBondContact O-CB 3.1Å; F571-I574 PolarHBondContact O-N 2.95Å; T572-I574 VanDerWaalsContact C-N 3.33Å; I574-K576 PolarHBondContact O-N 2.86Å; I574-K577 PolarHBondContact O-N 3.39Å; I574-M578 HydrophobicContact CG2-CG 4.2Å; I574-M578 HydrophobicContact CG2-SD 3.62Å; I574-M578 WeakPolarHBondContact O-CG 3.48Å; I574-M578 PolarHBondContact O-N 2.75Å; I574-L633 HydrophobicContact CD1-CD1 3.94Å; I574-M1092 HydrophobicContact CG2-CE 4.44Å
575	R	55.8	Low	52.2	Low	46 Å²	46	61 Å²	61	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-50.5	-55.2	173.6	175.5	173.7	63.2	-141.7	-10.1	111.3	F571 K577 M578 E579 L1089 E1093 E1096	F571-R575 PolarHBondContact O-N 3.44Å; R575-K577 PolarHBondContact O-N 2.7Å; R575-K577 VanDerWaalsContact O-N 3.11Å; R575-M578 PolarHBondContact O-N 3.22Å; R575-E579 HydrophobicContact CG-CG 4.03Å; R575-E579 WeakPolarHBondContact O-CG 3.19Å; R575-E579 PolarHBondContact O-N 2.78Å; R575-L1089 HydrophobicContact CB-CD1 4.36Å; R575-L1089 HydrophobicContact CG-CD1 4.26Å; R575-E1093 WeakPolarHBondContact CD-OE1 3.4Å; R575-E1093 IonicContact CZ-OE1 2.88Å; R575-E1093 IonicContact NE-OE1 3.92Å; R575-E1093 PolarHBondContact NE-OE1 3.24Å; R575-E1093 IonicContact NH1-OE1 2.95Å; R575-E1093 PolarHBondContact NH1-OE1 3.29Å; R575-E1096 IonicContact CZ-OE2 3.45Å; R575-E1096 IonicContact NH1-OE2 3.61Å; R575-E1096 PolarHBondContact NH1-OE2 3.32Å; R575-E1096 IonicContact NH2-OE1 3.43Å; R575-E1096 IonicContact NH2-OE2 2.72Å; R575-E1096 PolarHBondContact NH2-OE2 3.41Å
576	K	56.7	Low	52.4	Low	137 Å²	137	62.3 Å²	62.3	60%	0.596	33%	0.329	S	S	*	.	H	α-helix	trans	-57.9	-29.4	-179.7	-83.4	-171.8	171.6	-178.8	0	114.2	T572 I574 E579 L580	T572-K576 WeakPolarHBondContact O-CB 3.4Å; T572-K576 PolarHBondContact O-N 3.41Å; I574-K576 PolarHBondContact O-N 2.86Å; K576-E579 WeakPolarHBondContact CA-OE2 3.48Å; K576-L580 WeakPolarHBondContact O-CB 3.29Å
577	K	55.6	Low	52.6	Low	49 Å²	49	61.8 Å²	61.8	21%	0.213	32%	0.323	C	S	.	.	H	α-helix	trans	-79.5	-40	172.8	-81.9	-72.9	-157.8	170.6	0	112.2	P573 I574 R575 L580 Y581 D622 L626	P573-K577 PolarHBondContact O-N 3.09Å; I574-K577 PolarHBondContact O-N 3.39Å; R575-K577 PolarHBondContact O-N 2.7Å; R575-K577 VanDerWaalsContact O-N 3.11Å; K577-L580 WeakPolarHBondContact O-CB 3.24Å; K577-L580 PolarHBondContact O-N 3.26Å; K577-Y581 WeakPolarHBondContact O-CB 3.19Å; K577-Y581 PolarHBondContact O-N 2.94Å; K577-D622 IonicContact NZ-OD1 3.83Å; K577-D622 PolarHBondContact NZ-OD1 2.97Å; K577-L626 HydrophobicContact CB-CD2 4.49Å
578	M	52.2	Low	53	Low	35 Å²	35	59.1 Å²	59.1	17%	0.172	30%	0.304	C	S	.	.	H	α-helix	trans	-68.9	-38.5	178.3	-68.5	179.2	78.7	0	0	112.5	I574 R575 Y581 S582 L1085 L1089	I574-M578 HydrophobicContact CG2-CG 4.2Å; I574-M578 HydrophobicContact CG2-SD 3.62Å; I574-M578 WeakPolarHBondContact O-CG 3.48Å; I574-M578 PolarHBondContact O-N 2.75Å; R575-M578 PolarHBondContact O-N 3.22Å; M578-Y581 PolarHBondContact O-N 3.17Å; M578-S582 PolarHBondContact O-N 2.86Å; M578-L1085 HydrophobicContact CE-CD2 3.68Å; M578-L1089 HydrophobicContact CB-CD1 4.11Å; M578-L1089 HydrophobicContact SD-CD1 4.18Å
579	E	55.8	Low	53	Low	85 Å²	85	58.7 Å²	58.7	40%	0.397	30%	0.296	S	S	.	.	H	α-helix	trans	-55.2	-54.2	169.1	-70.6	175	112.9	0	0	110.4	R575 K576 Y581 S582 I583	R575-E579 HydrophobicContact CG-CG 4.03Å; R575-E579 WeakPolarHBondContact O-CG 3.19Å; R575-E579 PolarHBondContact O-N 2.78Å; K576-E579 WeakPolarHBondContact CA-OE2 3.48Å; E579-Y581 VanDerWaalsContact C-N 3.29Å; E579-Y581 PolarHBondContact O-N 2.83Å; E579-S582 PolarHBondContact O-N 3.32Å; E579-S582 VanDerWaalsContact O-N 3.13Å; E579-S582 PolarHBondContact O-OG 3.12Å; E579-I583 WeakPolarHBondContact O-CG1 3.26Å; E579-I583 PolarHBondContact O-N 3.18Å
580	L	56.1	Low	53.2	Low	87 Å²	87	62 Å²	62	46%	0.455	31%	0.312	S	S	.	.	H	α-helix	trans	-56.9	-39.1	175.7	-109.3	160.8	0	0	0	112.9	K576 K577 I583 K584	K576-L580 WeakPolarHBondContact O-CB 3.29Å; K577-L580 WeakPolarHBondContact O-CB 3.24Å; K577-L580 PolarHBondContact O-N 3.26Å; L580-I583 PolarHBondContact O-N 2.86Å; L580-K584 WeakPolarHBondContact O-CG 3.38Å; L580-K584 PolarHBondContact O-N 3.26Å
581	Y	51	Low	53.6	Low	25 Å²	25	62.9 Å²	62.9	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-41	177.7	-158.3	-88.8	0	0	0	111.2	K577 M578 E579 I583 K584 L585 L619 V1042	K577-Y581 WeakPolarHBondContact O-CB 3.19Å; K577-Y581 PolarHBondContact O-N 2.94Å; M578-Y581 PolarHBondContact O-N 3.17Å; E579-Y581 VanDerWaalsContact C-N 3.29Å; E579-Y581 PolarHBondContact O-N 2.83Å; Y581-I583 VanDerWaalsContact C-N 3.34Å; Y581-I583 PolarHBondContact O-N 2.91Å; Y581-K584 PolarHBondContact O-N 3.4Å; Y581-L585 HydrophobicContact CD1-CD1 3.76Å; Y581-L585 HydrophobicContact CE1-CD1 3.66Å; Y581-L585 HydrophobicContact CE1-CG 4.33Å; Y581-L585 WeakPolarHBondContact O-CB 3.41Å; Y581-L585 PolarHBondContact O-N 3.13Å; Y581-L619 HydrophobicContact CD2-CD2 3.78Å; Y581-L619 HydrophobicContact CE1-CD2 4.39Å; Y581-L619 HydrophobicContact CE2-CB 4.23Å; Y581-L619 HydrophobicContact CE2-CD2 3.36Å; Y581-L619 HydrophobicContact CE2-CG 4.4Å; Y581-L619 HydrophobicContact CG-CD2 4.43Å; Y581-V1042 HydrophobicContact CD1-CG2 4.45Å; Y581-V1042 HydrophobicContact CE1-CG1 4.42Å; Y581-V1042 HydrophobicContact CE1-CG2 3.79Å; Y581-V1042 HydrophobicContact CE2-CG1 4.12Å; Y581-V1042 WeakPolarHBondContact OH-CG1 3.01Å
582	S	52.3	Low	53.6	Low	50 Å²	50	65.7 Å²	65.7	35%	0.35	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-33.8	175.5	80.1	0	0	0	0	113.1	M578 E579 K586	M578-S582 PolarHBondContact O-N 2.86Å; E579-S582 PolarHBondContact O-N 3.32Å; E579-S582 VanDerWaalsContact O-N 3.13Å; E579-S582 PolarHBondContact O-OG 3.12Å; S582-K586 PolarHBondContact O-N 3.43Å; S582-K586 VanDerWaalsContact O-N 3.13Å
583	I	59.8	Low	53.5	Low	95 Å²	95	68.5 Å²	68.5	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-68.6	-48.4	175.4	-66.8	164.6	0	0	0	110.2	E579 L580 Y581 L585 K586 E587	E579-I583 WeakPolarHBondContact O-CG1 3.26Å; E579-I583 PolarHBondContact O-N 3.18Å; L580-I583 PolarHBondContact O-N 2.86Å; Y581-I583 VanDerWaalsContact C-N 3.34Å; Y581-I583 PolarHBondContact O-N 2.91Å; I583-L585 VanDerWaalsContact C-N 3.29Å; I583-L585 PolarHBondContact O-N 3.37Å; I583-K586 WeakPolarHBondContact O-CA 3.36Å; I583-K586 WeakPolarHBondContact O-CB 3.41Å; I583-K586 PolarHBondContact O-N 3.49Å; I583-K586 VanDerWaalsContact O-N 3.08Å; I583-E587 PolarHBondContact O-N 3.14Å
584	K	56.1	Low	53.3	Low	36 Å²	36	72.5 Å²	72.5	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-35.2	176.4	-71.5	178.4	-177.9	-176.1	0	113.1	L580 Y581 E587 L588 L619 D622	L580-K584 WeakPolarHBondContact O-CG 3.38Å; L580-K584 PolarHBondContact O-N 3.26Å; Y581-K584 PolarHBondContact O-N 3.4Å; K584-E587 PolarHBondContact O-N 2.78Å; K584-L588 PolarHBondContact O-N 2.91Å; K584-L619 HydrophobicContact CB-CD2 4.03Å; K584-L619 HydrophobicContact CD-CD2 4.02Å; K584-D622 IonicContact NZ-OD2 3.28Å; K584-D622 PolarHBondContact NZ-OD2 2.95Å
585	L	51.8	Low	53.2	Low	41 Å²	41	78.6 Å²	78.6	22%	0.215	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-42.4	172.7	-99.1	162.8	0	0	0	111.4	Y581 I583 L588 E589 V1081	Y581-L585 HydrophobicContact CD1-CD1 3.76Å; Y581-L585 HydrophobicContact CE1-CD1 3.66Å; Y581-L585 HydrophobicContact CE1-CG 4.33Å; Y581-L585 WeakPolarHBondContact O-CB 3.41Å; Y581-L585 PolarHBondContact O-N 3.13Å; I583-L585 VanDerWaalsContact C-N 3.29Å; I583-L585 PolarHBondContact O-N 3.37Å; L585-L588 WeakPolarHBondContact O-CB 3.5Å; L585-L588 PolarHBondContact O-N 3.11Å; L585-L588 VanDerWaalsContact O-N 3.17Å; L585-E589 WeakPolarHBondContact O-CB 3.11Å; L585-E589 PolarHBondContact O-N 3.48Å; L585-V1081 HydrophobicContact CD1-CG1 4.5Å; L585-V1081 HydrophobicContact CD1-CG2 3.88Å
586	K	56.1	Low	52.9	Low	117 Å²	117	79.5 Å²	79.5	51%	0.509	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-33.6	173.6	-81.3	-165.6	158.2	-153.2	0	114.2	S582 I583 L588 E589 L590	S582-K586 PolarHBondContact O-N 3.43Å; S582-K586 VanDerWaalsContact O-N 3.13Å; I583-K586 WeakPolarHBondContact O-CA 3.36Å; I583-K586 WeakPolarHBondContact O-CB 3.41Å; I583-K586 PolarHBondContact O-N 3.49Å; I583-K586 VanDerWaalsContact O-N 3.08Å; K586-L588 VanDerWaalsContact C-N 3.28Å; K586-E589 WeakPolarHBondContact O-CB 3.13Å; K586-E589 PolarHBondContact O-N 2.98Å; K586-L590 WeakPolarHBondContact O-CB 3.31Å; K586-L590 WeakPolarHBondContact O-CD1 3.35Å; K586-L590 VanDerWaalsContact O-CG 3.31Å; K586-L590 WeakPolarHBondContact O-CG 3.28Å; K586-L590 PolarHBondContact O-N 3.24Å
587	E	58.1	Low	52.6	Low	101 Å²	101	81.2 Å²	81.2	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-35.5	170.9	-68.8	177.4	142.7	0	0	111.3	I583 K584 L591	I583-E587 PolarHBondContact O-N 3.14Å; K584-E587 PolarHBondContact O-N 2.78Å; E587-L591 WeakPolarHBondContact O-CG 3.18Å; E587-L591 PolarHBondContact O-N 3.27Å
588	L	52.3	Low	52.3	Low	22 Å²	22	84.8 Å²	84.8	12%	0.115	46%	0.456	C	S	.	.	H	α-helix	trans	-70.4	-43	173.9	-153.5	80.8	0	0	0	112.1	K584 L585 K586 L591 F592 L615	K584-L588 PolarHBondContact O-N 2.91Å; L585-L588 WeakPolarHBondContact O-CB 3.5Å; L585-L588 PolarHBondContact O-N 3.11Å; L585-L588 VanDerWaalsContact O-N 3.17Å; K586-L588 VanDerWaalsContact C-N 3.28Å; L588-L591 WeakPolarHBondContact O-CB 3.36Å; L588-L591 PolarHBondContact O-N 3.14Å; L588-F592 HydrophobicContact CG-CE2 4.25Å; L588-F592 VanDerWaalsContact O-CD2 3.25Å; L588-F592 WeakPolarHBondContact O-CD2 3.26Å; L588-F592 PolarHBondContact O-N 3.07Å; L588-L615 HydrophobicContact CD1-CB 4.33Å; L588-L615 HydrophobicContact CD1-CD1 4.05Å
589	E	48.8	Very low	52.2	Low	59 Å²	59	85.6 Å²	85.6	28%	0.276	46%	0.464	S	S	.	.	H	α-helix	trans	-55	-53.2	173.7	-173.2	-166.6	128.5	0	0	110.5	L585 K586 L591 F592 S593	L585-E589 WeakPolarHBondContact O-CB 3.11Å; L585-E589 PolarHBondContact O-N 3.48Å; K586-E589 WeakPolarHBondContact O-CB 3.13Å; K586-E589 PolarHBondContact O-N 2.98Å; E589-L591 VanDerWaalsContact C-N 3.26Å; E589-L591 PolarHBondContact O-N 3.5Å; E589-F592 PolarHBondContact O-N 2.6Å; E589-S593 WeakPolarHBondContact O-CB 3.39Å; E589-S593 PolarHBondContact O-N 2.83Å; E589-S593 PolarHBondContact O-OG 2.94Å; E589-S593 VanDerWaalsContact O-OG 3.06Å
590	L	55.3	Low	51.9	Low	108 Å²	108	87.1 Å²	87.1	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-57.9	-33.5	177.3	-77	164.6	0	0	0	113.6	K586 F592 S593	K586-L590 WeakPolarHBondContact O-CB 3.31Å; K586-L590 WeakPolarHBondContact O-CD1 3.35Å; K586-L590 VanDerWaalsContact O-CG 3.31Å; K586-L590 WeakPolarHBondContact O-CG 3.28Å; K586-L590 PolarHBondContact O-N 3.24Å; L590-F592 VanDerWaalsContact C-N 3.26Å; L590-F592 PolarHBondContact O-N 3.45Å; L590-S593 PolarHBondContact O-N 3.4Å
591	L	54.8	Low	51.7	Low	104 Å²	104	86.3 Å²	86.3	55%	0.545	48%	0.475	S	S	.	.	H	α-helix	trans	-70.6	-18.1	175.7	-75.6	167	0	0	0	113.8	E587 L588 E589 M612 L615	E587-L591 WeakPolarHBondContact O-CG 3.18Å; E587-L591 PolarHBondContact O-N 3.27Å; L588-L591 WeakPolarHBondContact O-CB 3.36Å; L588-L591 PolarHBondContact O-N 3.14Å; E589-L591 VanDerWaalsContact C-N 3.26Å; E589-L591 PolarHBondContact O-N 3.5Å; L591-M612 HydrophobicContact CB-CE 4.36Å; L591-L615 HydrophobicContact CD1-CD1 4Å
592	F	48.2	Very low	51.6	Low	90 Å²	90	94.2 Å²	94.2	40%	0.395	51%	0.505	S	S	.	.	H	α-helix	trans	-100.4	-24.2	172	-72	-71.3	0	0	0	113.2	L588 E589 L590 M612 L1070 L1074	L588-F592 HydrophobicContact CG-CE2 4.25Å; L588-F592 VanDerWaalsContact O-CD2 3.25Å; L588-F592 WeakPolarHBondContact O-CD2 3.26Å; L588-F592 PolarHBondContact O-N 3.07Å; E589-F592 PolarHBondContact O-N 2.6Å; L590-F592 VanDerWaalsContact C-N 3.26Å; L590-F592 PolarHBondContact O-N 3.45Å; F592-M612 HydrophobicContact CD1-CE 4.41Å; F592-M612 HydrophobicContact CD2-CE 4.41Å; F592-M612 HydrophobicContact CE1-CE 3.78Å; F592-M612 HydrophobicContact CE2-CE 3.77Å; F592-M612 HydrophobicContact CZ-CE 3.41Å; F592-M612 VanDerWaalsContact CZ-CE 3.41Å; F592-M612 HydrophobicContact CZ-SD 3.97Å; F592-L1070 HydrophobicContact CE1-CD2 4Å; F592-L1070 HydrophobicContact CZ-CD2 4.47Å; F592-L1074 HydrophobicContact CB-CD2 3.8Å; F592-L1074 HydrophobicContact CD2-CD1 4.35Å; F592-L1074 HydrophobicContact CD2-CD2 3.72Å; F592-L1074 HydrophobicContact CE2-CD2 4.48Å; F592-L1074 HydrophobicContact CG-CD2 3.84Å
593	S	48.6	Very low	51.6	Low	74 Å²	74	95.1 Å²	95.1	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-96.5	-3.2	-167.3	-60.8	0	0	0	0	117.2	E589 L590 P595	E589-S593 WeakPolarHBondContact O-CB 3.39Å; E589-S593 PolarHBondContact O-N 2.83Å; E589-S593 PolarHBondContact O-OG 2.94Å; E589-S593 VanDerWaalsContact O-OG 3.06Å; L590-S593 PolarHBondContact O-N 3.4Å; S593-P595 WeakPolarHBondContact O-CD 3.43Å
594	E	45	Very low	51.3	Low	146 Å²	146	94.9 Å²	94.9	68%	0.682	51%	0.513	S	S	*	.			trans	-90.8	107.8	172.3	-77.1	-144	146.8	0	0	112.9	G596	E594-G596 VanDerWaalsContact C-N 3.26Å; E594-G596 PolarHBondContact O-N 3.15Å
595	P	46.9	Very low	51.1	Low	143 Å²	143	97.9 Å²	97.9	93%	0.929	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	71.8	178.6	34.1	-37.3	0	0	0	111.4	S593	S593-P595 WeakPolarHBondContact O-CD 3.43Å
596	G	50.4	Low	51.2	Low	66 Å²	66	99 Å²	99	68%	0.68	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-153.4	-27.5	-177.4	0	0	0	0	0	116.8	E594	E594-G596 VanDerWaalsContact C-N 3.26Å; E594-G596 PolarHBondContact O-N 3.15Å
597	Q	49.4	Very low	51.1	Low	172 Å²	172	96.2 Å²	96.2	80%	0.804	53%	0.531	S	S	*	.			trans	-117.2	72.7	-175.7	-63.5	-168.7	22.7	0	0	112.6	P599	Q597-P599 WeakPolarHBondContact O-CD 3.05Å
598	V	48.3	Very low	51	Low	125 Å²	125	93.6 Å²	93.6	76%	0.758	53%	0.527	S	S	*	.			trans	-65.8	120.7	159.4	179.3	0	0	0	0	107.5	T600	V598-T600 PolarHBondContact O-N 3.08Å; V598-T600 VanDerWaalsContact O-N 3.08Å
599	P	50.4	Low	51.1	Low	51 Å²	51	96.1 Å²	96.1	33%	0.331	54%	0.54	S	S	.	.			trans	-58.7	115.8	-177.5	-26.6	36.2	0	0	0	111.2	Q597 N601 E604 M605	Q597-P599 WeakPolarHBondContact O-CD 3.05Å; P599-N601 VanDerWaalsContact C-N 3.3Å; P599-N601 PolarHBondContact O-N 3.44Å; P599-E604 HydrophobicContact CB-CB 4.05Å; P599-M605 HydrophobicContact CB-CB 3.9Å; P599-M605 HydrophobicContact CB-SD 4.28Å; P599-M605 HydrophobicContact CG-CB 4.4Å; P599-M605 HydrophobicContact CG-SD 4.17Å
600	T	49.7	Very low	51.8	Low	118 Å²	118	100.8 Å²	100.8	72%	0.724	56%	0.555	S	S	*	*			trans	-79.4	-18.9	-170.1	66.2	0	0	0	0	112.6	V598 E604	V598-T600 PolarHBondContact O-N 3.08Å; V598-T600 VanDerWaalsContact O-N 3.08Å; T600-E604 PolarHBondContact N-OE2 2.93Å; T600-E604 PolarHBondContact OG1-OE2 3.38Å
601	N	51.8	Low	52	Low	70 Å²	70	98 Å²	98	37%	0.374	55%	0.548	S	S	.	.	S	Bend	trans	-143.3	163.9	178.2	62.3	73.8	0	0	0	112.2	P599 A603 E604 M605	P599-N601 VanDerWaalsContact C-N 3.3Å; P599-N601 PolarHBondContact O-N 3.44Å; N601-A603 PolarHBondContact O-N 3.42Å; N601-A603 WeakPolarHBondContact OD1-CB 3.1Å; N601-A603 PolarHBondContact OD1-N 3.36Å; N601-A603 VanDerWaalsContact OD1-N 3.16Å; N601-E604 PolarHBondContact N-OE2 3.38Å; N601-E604 PolarHBondContact ND2-OE1 2.86Å; N601-E604 PolarHBondContact ND2-OE2 2.9Å; N601-E604 PolarHBondContact O-N 3.17Å; N601-E604 PolarHBondContact OD1-N 3.21Å; N601-E604 VanDerWaalsContact OD1-N 3.08Å; N601-M605 PolarHBondContact O-N 2.98Å
602	R	50.4	Low	52	Low	190 Å²	190	94.7 Å²	94.7	72%	0.717	53%	0.53	S	S	*	.	H	α-helix	trans	-61.4	-29.3	-176.9	-178.5	174.6	169.8	151.4	7.5	113.6	E606	R602-E606 HydrophobicContact CG-CG 4.36Å; R602-E606 IonicContact CZ-OE1 2.67Å; R602-E606 VanDerWaalsContact CZ-OE1 3.28Å; R602-E606 IonicContact NE-OE1 2.82Å; R602-E606 PolarHBondContact NE-OE1 2.89Å; R602-E606 IonicContact NH2-OE1 2.89Å; R602-E606 PolarHBondContact NH2-OE1 2.87Å; R602-E606 WeakPolarHBondContact O-CB 3.39Å; R602-E606 WeakPolarHBondContact O-CG 3.27Å; R602-E606 PolarHBondContact O-N 2.79Å
603	A	52.3	Low	52.4	Low	70 Å²	70	95.5 Å²	95.5	58%	0.579	54%	0.535	S	S	*	.	H	α-helix	trans	-73	-39.4	-179.7	0	0	0	0	0	111.7	N601 A607	N601-A603 PolarHBondContact O-N 3.42Å; N601-A603 WeakPolarHBondContact OD1-CB 3.1Å; N601-A603 PolarHBondContact OD1-N 3.36Å; N601-A603 VanDerWaalsContact OD1-N 3.16Å; A603-A607 VanDerWaalsContact O-CB 3.26Å; A603-A607 WeakPolarHBondContact O-CB 3.34Å; A603-A607 PolarHBondContact O-N 3.35Å
604	E	53.7	Low	53	Low	90 Å²	90	93.4 Å²	93.4	42%	0.421	53%	0.526	S	S	.	.	H	α-helix	trans	-60.3	-46.3	170.9	-76.4	155.6	-159.6	0	0	111.4	P599 T600 N601 A607 A608	P599-E604 HydrophobicContact CB-CB 4.05Å; T600-E604 PolarHBondContact N-OE2 2.93Å; T600-E604 PolarHBondContact OG1-OE2 3.38Å; N601-E604 PolarHBondContact N-OE2 3.38Å; N601-E604 PolarHBondContact ND2-OE1 2.86Å; N601-E604 PolarHBondContact ND2-OE2 2.9Å; N601-E604 PolarHBondContact O-N 3.17Å; N601-E604 PolarHBondContact OD1-N 3.21Å; N601-E604 VanDerWaalsContact OD1-N 3.08Å; E604-A607 PolarHBondContact O-N 3.1Å; E604-A608 WeakPolarHBondContact O-CB 3.17Å; E604-A608 PolarHBondContact O-N 3.21Å
605	M	50.5	Low	53.8	Low	98 Å²	98	88 Å²	88	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-67.8	-41.4	179.8	-167.4	128.1	64.5	0	0	112.8	P599 N601 A607 A608 L609	P599-M605 HydrophobicContact CB-CB 3.9Å; P599-M605 HydrophobicContact CB-SD 4.28Å; P599-M605 HydrophobicContact CG-CB 4.4Å; P599-M605 HydrophobicContact CG-SD 4.17Å; N601-M605 PolarHBondContact O-N 2.98Å; M605-A607 VanDerWaalsContact C-N 3.29Å; M605-A607 PolarHBondContact O-N 2.85Å; M605-A608 PolarHBondContact O-N 3.37Å; M605-L609 HydrophobicContact CG-CD1 4.26Å; M605-L609 WeakPolarHBondContact O-CB 3.49Å; M605-L609 WeakPolarHBondContact O-CG 3.24Å; M605-L609 PolarHBondContact O-N 3.46Å
606	E	54.3	Low	54.4	Low	64 Å²	64	82.2 Å²	82.2	30%	0.299	46%	0.462	S	S	.	.	H	α-helix	trans	-67	-28.4	173.3	-75.4	-171.8	-156.7	0	0	112.6	R602 R610	R602-E606 HydrophobicContact CG-CG 4.36Å; R602-E606 IonicContact CZ-OE1 2.67Å; R602-E606 VanDerWaalsContact CZ-OE1 3.28Å; R602-E606 IonicContact NE-OE1 2.82Å; R602-E606 PolarHBondContact NE-OE1 2.89Å; R602-E606 IonicContact NH2-OE1 2.89Å; R602-E606 PolarHBondContact NH2-OE1 2.87Å; R602-E606 WeakPolarHBondContact O-CB 3.39Å; R602-E606 WeakPolarHBondContact O-CG 3.27Å; R602-E606 PolarHBondContact O-N 2.79Å; E606-R610 WeakPolarHBondContact O-CB 3.37Å; E606-R610 WeakPolarHBondContact O-CD 3.45Å; E606-R610 WeakPolarHBondContact O-CG 3.32Å; E606-R610 PolarHBondContact O-N 3.41Å; E606-R610 IonicContact OE2-NH2 3.41Å; E606-R610 PolarHBondContact OE2-NH2 3.39Å
607	A	54.8	Low	55	Low	59 Å²	59	86.4 Å²	86.4	49%	0.488	46%	0.461	S	S	.	.	H	α-helix	trans	-72.7	-44.7	173.6	0	0	0	0	0	112	A603 E604 M605 R610 A611	A603-A607 VanDerWaalsContact O-CB 3.26Å; A603-A607 WeakPolarHBondContact O-CB 3.34Å; A603-A607 PolarHBondContact O-N 3.35Å; E604-A607 PolarHBondContact O-N 3.1Å; M605-A607 VanDerWaalsContact C-N 3.29Å; M605-A607 PolarHBondContact O-N 2.85Å; A607-R610 PolarHBondContact O-N 2.79Å; A607-A611 PolarHBondContact O-N 2.99Å
608	A	55.4	Low	55.7	Low	47 Å²	47	81.9 Å²	81.9	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-61.7	-44.4	176.3	0	0	0	0	0	111.9	E604 M605 R610 A611 M612	E604-A608 WeakPolarHBondContact O-CB 3.17Å; E604-A608 PolarHBondContact O-N 3.21Å; M605-A608 PolarHBondContact O-N 3.37Å; A608-R610 PolarHBondContact O-N 2.93Å; A608-A611 WeakPolarHBondContact O-CB 3.49Å; A608-A611 PolarHBondContact O-N 2.82Å; A608-M612 PolarHBondContact O-N 2.65Å
609	L	54.9	Low	56.3	Low	74 Å²	74	76.3 Å²	76.3	39%	0.387	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-42	175.6	-74.4	167.6	0	0	0	112.2	M605 A611 M612 E613 L1053	M605-L609 HydrophobicContact CG-CD1 4.26Å; M605-L609 WeakPolarHBondContact O-CB 3.49Å; M605-L609 WeakPolarHBondContact O-CG 3.24Å; M605-L609 PolarHBondContact O-N 3.46Å; L609-A611 VanDerWaalsContact C-N 3.33Å; L609-A611 PolarHBondContact O-N 3.1Å; L609-M612 PolarHBondContact O-N 2.87Å; L609-E613 WeakPolarHBondContact O-CG 3.45Å; L609-E613 PolarHBondContact O-N 2.9Å; L609-L1053 HydrophobicContact CD2-CD2 4.35Å
610	R	62.1	Low	56.8	Low	157 Å²	157	78.5 Å²	78.5	59%	0.592	41%	0.414	S	S	*	.	H	α-helix	trans	-67.1	-31.5	175.2	-71	173.2	-154.6	-170.6	10.2	112.9	E606 A607 A608 G614	E606-R610 WeakPolarHBondContact O-CB 3.37Å; E606-R610 WeakPolarHBondContact O-CD 3.45Å; E606-R610 WeakPolarHBondContact O-CG 3.32Å; E606-R610 PolarHBondContact O-N 3.41Å; E606-R610 IonicContact OE2-NH2 3.41Å; E606-R610 PolarHBondContact OE2-NH2 3.39Å; A607-R610 PolarHBondContact O-N 2.79Å; A608-R610 PolarHBondContact O-N 2.93Å; R610-G614 PolarHBondContact O-N 3.1Å
611	A	59.3	Low	57.6	Low	50 Å²	50	77.9 Å²	77.9	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-67.2	-42.3	172.4	0	0	0	0	0	111.4	A607 A608 L609 G614 L615	A607-A611 PolarHBondContact O-N 2.99Å; A608-A611 WeakPolarHBondContact O-CB 3.49Å; A608-A611 PolarHBondContact O-N 2.82Å; L609-A611 VanDerWaalsContact C-N 3.33Å; L609-A611 PolarHBondContact O-N 3.1Å; A611-G614 PolarHBondContact O-N 3.4Å; A611-L615 PolarHBondContact O-N 3.03Å
612	M	56.2	Low	58	Low	35 Å²	35	75.5 Å²	75.5	17%	0.172	39%	0.391	C	S	.	.	H	α-helix	trans	-66	-43.3	173.9	-72.5	-176.1	173.8	0	0	112.7	L591 F592 A608 L609 G614 L615 M616	L591-M612 HydrophobicContact CB-CE 4.36Å; F592-M612 HydrophobicContact CD1-CE 4.41Å; F592-M612 HydrophobicContact CD2-CE 4.41Å; F592-M612 HydrophobicContact CE1-CE 3.78Å; F592-M612 HydrophobicContact CE2-CE 3.77Å; F592-M612 HydrophobicContact CZ-CE 3.41Å; F592-M612 VanDerWaalsContact CZ-CE 3.41Å; F592-M612 HydrophobicContact CZ-SD 3.97Å; A608-M612 PolarHBondContact O-N 2.65Å; L609-M612 PolarHBondContact O-N 2.87Å; M612-G614 VanDerWaalsContact C-N 3.29Å; M612-G614 PolarHBondContact O-N 2.83Å; M612-L615 PolarHBondContact O-N 3.11Å; M612-M616 WeakPolarHBondContact O-CB 3.34Å; M612-M616 WeakPolarHBondContact O-CG 3.29Å; M612-M616 PolarHBondContact O-N 3.38Å
613	E	56.8	Low	58.4	Low	106 Å²	106	66.6 Å²	66.6	50%	0.495	36%	0.357	S	S	.	.	H	α-helix	trans	-58.4	-41.5	171.9	-75.6	-172.5	139.5	0	0	111.4	L609 K617 L1053	L609-E613 WeakPolarHBondContact O-CG 3.45Å; L609-E613 PolarHBondContact O-N 2.9Å; E613-K617 WeakPolarHBondContact O-CB 3.02Å; E613-K617 PolarHBondContact O-N 2.7Å; E613-L1053 HydrophobicContact CG-CD1 4.39Å
614	G	61.2	Low	58.8	Low	31 Å²	31	67.8 Å²	67.8	32%	0.32	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-48.6	174.9	0	0	0	0	0	112.8	R610 A611 M612 K617 N618	R610-G614 PolarHBondContact O-N 3.1Å; A611-G614 PolarHBondContact O-N 3.4Å; M612-G614 VanDerWaalsContact C-N 3.29Å; M612-G614 PolarHBondContact O-N 2.83Å; G614-K617 PolarHBondContact O-N 2.82Å; G614-N618 WeakPolarHBondContact O-CB 3.36Å; G614-N618 PolarHBondContact O-N 3.49Å; G614-N618 PolarHBondContact O-ND2 3.31Å; G614-N618 VanDerWaalsContact O-ND2 3.16Å
615	L	61.6	Low	59.3	Low	31 Å²	31	67.7 Å²	67.7	16%	0.162	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-47.2	176.6	-82.1	163.8	0	0	0	111.8	L588 L591 A611 M612 K617 N618 L619	L588-L615 HydrophobicContact CD1-CB 4.33Å; L588-L615 HydrophobicContact CD1-CD1 4.05Å; L591-L615 HydrophobicContact CD1-CD1 4Å; A611-L615 PolarHBondContact O-N 3.03Å; M612-L615 PolarHBondContact O-N 3.11Å; L615-K617 PolarHBondContact O-N 2.95Å; L615-N618 WeakPolarHBondContact O-CB 3.28Å; L615-N618 PolarHBondContact O-N 2.96Å; L615-L619 VanDerWaalsContact O-CG 3.26Å; L615-L619 WeakPolarHBondContact O-CG 3.27Å; L615-L619 PolarHBondContact O-N 3.16Å
616	M	58.9	Low	59.6	Low	23 Å²	23	64.4 Å²	64.4	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-41.1	176.9	-77.4	-173.1	64.4	0	0	112.9	M612 N618 L619 Q620 V1049 L1053	M612-M616 WeakPolarHBondContact O-CB 3.34Å; M612-M616 WeakPolarHBondContact O-CG 3.29Å; M612-M616 PolarHBondContact O-N 3.38Å; M616-N618 VanDerWaalsContact C-N 3.31Å; M616-N618 PolarHBondContact O-N 3.42Å; M616-L619 PolarHBondContact O-N 3.08Å; M616-Q620 WeakPolarHBondContact O-CB 3.37Å; M616-Q620 PolarHBondContact O-N 2.88Å; M616-V1049 HydrophobicContact CE-CB 3.84Å; M616-V1049 HydrophobicContact CE-CG1 3.76Å; M616-V1049 HydrophobicContact SD-CB 4.25Å; M616-V1049 HydrophobicContact SD-CG1 3.5Å; M616-V1049 VanDerWaalsContact SD-CG1 3.5Å; M616-L1053 HydrophobicContact CE-CD1 4.23Å; M616-L1053 HydrophobicContact SD-CD1 3.43Å; M616-L1053 WeakPolarHBondContact SD-CD1 3.42Å; M616-L1053 HydrophobicContact SD-CG 4.29Å
617	K	63.6	Low	59.8	Low	153 Å²	153	62.7 Å²	62.7	67%	0.665	33%	0.329	S	S	*	.	H	α-helix	trans	-65.1	-37.5	177.4	-165	171	-170.1	172.4	0	111.6	E613 G614 L615 Q621	E613-K617 WeakPolarHBondContact O-CB 3.02Å; E613-K617 PolarHBondContact O-N 2.7Å; G614-K617 PolarHBondContact O-N 2.82Å; L615-K617 PolarHBondContact O-N 2.95Å; K617-Q621 WeakPolarHBondContact O-CB 3.33Å; K617-Q621 PolarHBondContact O-N 2.94Å
618	N	63.9	Low	60.2	Low	78 Å²	78	64.3 Å²	64.3	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-66.2	-42.9	172	-67.8	-26.9	0	0	0	112	G614 L615 M616 Q621 D622	G614-N618 WeakPolarHBondContact O-CB 3.36Å; G614-N618 PolarHBondContact O-N 3.49Å; G614-N618 PolarHBondContact O-ND2 3.31Å; G614-N618 VanDerWaalsContact O-ND2 3.16Å; L615-N618 WeakPolarHBondContact O-CB 3.28Å; L615-N618 PolarHBondContact O-N 2.96Å; M616-N618 VanDerWaalsContact C-N 3.31Å; M616-N618 PolarHBondContact O-N 3.42Å; N618-Q621 PolarHBondContact O-N 2.92Å; N618-D622 PolarHBondContact O-N 3.34Å
619	L	59.9	Low	60.4	Low	7 Å²	7	65.4 Å²	65.4	4%	0.037	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.9	-70.5	163.8	0	0	0	111.9	Y581 K584 L615 M616 D622 A623 L1046	Y581-L619 HydrophobicContact CD2-CD2 3.78Å; Y581-L619 HydrophobicContact CE1-CD2 4.39Å; Y581-L619 HydrophobicContact CE2-CB 4.23Å; Y581-L619 HydrophobicContact CE2-CD2 3.36Å; Y581-L619 HydrophobicContact CE2-CG 4.4Å; Y581-L619 HydrophobicContact CG-CD2 4.43Å; K584-L619 HydrophobicContact CB-CD2 4.03Å; K584-L619 HydrophobicContact CD-CD2 4.02Å; L615-L619 VanDerWaalsContact O-CG 3.26Å; L615-L619 WeakPolarHBondContact O-CG 3.27Å; L615-L619 PolarHBondContact O-N 3.16Å; M616-L619 PolarHBondContact O-N 3.08Å; L619-D622 PolarHBondContact O-N 3.33Å; L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 2.94Å; L619-L1046 HydrophobicContact CB-CD2 4.06Å
620	Q	62.3	Low	60.5	Low	97 Å²	97	62.7 Å²	62.7	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-44.9	172	-177.7	-179.3	-21.5	0	0	111.2	M616 D622 A623 E624 L1046	M616-Q620 WeakPolarHBondContact O-CB 3.37Å; M616-Q620 PolarHBondContact O-N 2.88Å; Q620-D622 VanDerWaalsContact C-N 3.34Å; Q620-D622 PolarHBondContact O-N 2.8Å; Q620-A623 PolarHBondContact O-N 2.81Å; Q620-A623 VanDerWaalsContact O-N 3.16Å; Q620-E624 WeakPolarHBondContact CG-OE1 3.04Å; Q620-E624 PolarHBondContact NE2-OE1 3.29Å; Q620-E624 WeakPolarHBondContact O-CG 3.47Å; Q620-E624 PolarHBondContact O-N 2.98Å; Q620-L1046 HydrophobicContact CB-CD1 4.41Å; Q620-L1046 HydrophobicContact CB-CD2 4.35Å
621	Q	65.2	Low	60.3	Low	106 Å²	106	60.4 Å²	60.4	50%	0.495	31%	0.306	S	S	.	.	H	α-helix	trans	-67	-33.8	179.1	-164.9	171.2	24.7	0	0	112.5	K617 N618 Q625	K617-Q621 WeakPolarHBondContact O-CB 3.33Å; K617-Q621 PolarHBondContact O-N 2.94Å; N618-Q621 PolarHBondContact O-N 2.92Å; Q621-Q625 WeakPolarHBondContact O-CG 3.42Å; Q621-Q625 PolarHBondContact O-N 2.95Å
622	D	60.2	Low	60.4	Low	20 Å²	20	61.3 Å²	61.3	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-65.5	-40.7	169.8	-81.4	-42.4	0	0	0	111.8	K577 K584 N618 L619 Q620 Q625 L626	K577-D622 IonicContact NZ-OD1 3.83Å; K577-D622 PolarHBondContact NZ-OD1 2.97Å; K584-D622 IonicContact NZ-OD2 3.28Å; K584-D622 PolarHBondContact NZ-OD2 2.95Å; N618-D622 PolarHBondContact O-N 3.34Å; L619-D622 PolarHBondContact O-N 3.33Å; Q620-D622 VanDerWaalsContact C-N 3.34Å; Q620-D622 PolarHBondContact O-N 2.8Å; D622-Q625 PolarHBondContact O-N 3.35Å; D622-L626 WeakPolarHBondContact O-CG 3.45Å; D622-L626 PolarHBondContact O-N 2.74Å
623	A	58.5	Low	60.4	Low	2 Å²	2	62.2 Å²	62.2	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-69.1	-36.5	176.8	0	0	0	0	0	113.1	L619 Q620 L626 T627 V1042 Q1043 L1046	L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 2.94Å; Q620-A623 PolarHBondContact O-N 2.81Å; Q620-A623 VanDerWaalsContact O-N 3.16Å; A623-L626 PolarHBondContact O-N 3.49Å; A623-T627 PolarHBondContact O-N 2.98Å; A623-T627 PolarHBondContact O-OG1 2.78Å; A623-V1042 HydrophobicContact CB-CG1 3.75Å; A623-Q1043 HydrophobicContact CB-CG 4.41Å; A623-L1046 HydrophobicContact CB-CD1 4.02Å
624	E	62.3	Low	60.4	Low	96 Å²	96	61.9 Å²	61.9	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-65.1	-42.5	172	-74	170	-172.6	0	0	110.7	Q620 L626 T627 D628	Q620-E624 WeakPolarHBondContact CG-OE1 3.04Å; Q620-E624 PolarHBondContact NE2-OE1 3.29Å; Q620-E624 WeakPolarHBondContact O-CG 3.47Å; Q620-E624 PolarHBondContact O-N 2.98Å; E624-L626 PolarHBondContact O-N 2.98Å; E624-T627 WeakPolarHBondContact O-CA 3.07Å; E624-T627 VanDerWaalsContact O-CB 3.25Å; E624-T627 WeakPolarHBondContact O-CB 3.1Å; E624-T627 PolarHBondContact O-N 3.38Å; E624-D628 PolarHBondContact O-N 3.23Å
625	Q	62.8	Low	60.3	Low	87 Å²	87	64.9 Å²	64.9	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-40.8	173.1	-76	178.3	8.6	0	0	113	Q621 D622 T627 D628 Q629	Q621-Q625 WeakPolarHBondContact O-CG 3.42Å; Q621-Q625 PolarHBondContact O-N 2.95Å; D622-Q625 PolarHBondContact O-N 3.35Å; Q625-T627 VanDerWaalsContact C-N 3.27Å; Q625-T627 PolarHBondContact O-N 2.92Å; Q625-D628 PolarHBondContact O-N 3.05Å; Q625-Q629 WeakPolarHBondContact O-CG 3.14Å; Q625-Q629 PolarHBondContact O-N 3.31Å; Q625-Q629 VanDerWaalsContact O-N 3.08Å
626	L	57.5	Low	60.2	Low	30 Å²	30	70.6 Å²	70.6	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-34.6	173	-75	165.9	0	0	0	111.9	K577 D622 A623 E624 D628 Q629 E630 K1039	K577-L626 HydrophobicContact CB-CD2 4.49Å; D622-L626 WeakPolarHBondContact O-CG 3.45Å; D622-L626 PolarHBondContact O-N 2.74Å; A623-L626 PolarHBondContact O-N 3.49Å; E624-L626 PolarHBondContact O-N 2.98Å; L626-D628 PolarHBondContact O-N 2.91Å; L626-Q629 PolarHBondContact O-N 2.85Å; L626-E630 PolarHBondContact O-N 3.28Å; L626-K1039 HydrophobicContact CB-CG 4.24Å
627	T	58.2	Low	60.1	Low	27 Å²	27	70.9 Å²	70.9	17%	0.166	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-37.1	176.9	-48.8	0	0	0	0	112.4	A623 E624 Q625 K631 K1039 Q1043	A623-T627 PolarHBondContact O-N 2.98Å; A623-T627 PolarHBondContact O-OG1 2.78Å; E624-T627 WeakPolarHBondContact O-CA 3.07Å; E624-T627 VanDerWaalsContact O-CB 3.25Å; E624-T627 WeakPolarHBondContact O-CB 3.1Å; E624-T627 PolarHBondContact O-N 3.38Å; Q625-T627 VanDerWaalsContact C-N 3.27Å; Q625-T627 PolarHBondContact O-N 2.92Å; T627-K631 WeakPolarHBondContact O-CG 3.47Å; T627-K631 PolarHBondContact O-N 2.93Å; T627-K1039 HydrophobicContact CG2-CD 4.32Å; T627-Q1043 PolarHBondContact OG1-NE2 2.8Å; T627-Q1043 VanDerWaalsContact OG1-NE2 3.15Å
628	D	62.7	Low	59.8	Low	93 Å²	93	67.1 Å²	67.1	50%	0.497	34%	0.34	S	S	.	.	H	α-helix	trans	-80.9	-28.1	177.8	-72.7	-23.8	0	0	0	112.7	E624 Q625 L626 K631 S632	E624-D628 PolarHBondContact O-N 3.23Å; Q625-D628 PolarHBondContact O-N 3.05Å; L626-D628 PolarHBondContact O-N 2.91Å; D628-K631 IonicContact OD1-NZ 2.66Å; D628-K631 PolarHBondContact OD1-NZ 2.99Å; D628-S632 WeakPolarHBondContact O-CB 3.12Å; D628-S632 PolarHBondContact O-N 3.4Å
629	Q	60.3	Low	59.4	Low	71 Å²	71	66.5 Å²	66.5	33%	0.332	34%	0.341	S	S	.	.	H	α-helix	trans	-66.6	-39.3	168	-71.2	-176.9	-8.8	0	0	112	Q625 L626 S632 L633	Q625-Q629 WeakPolarHBondContact O-CG 3.14Å; Q625-Q629 PolarHBondContact O-N 3.31Å; Q625-Q629 VanDerWaalsContact O-N 3.08Å; L626-Q629 PolarHBondContact O-N 2.85Å; Q629-S632 PolarHBondContact O-N 2.86Å; Q629-L633 WeakPolarHBondContact O-CB 3.39Å; Q629-L633 PolarHBondContact O-N 2.91Å
630	E	56.8	Low	59.2	Low	16 Å²	16	70.7 Å²	70.7	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-54.9	-52.4	171.5	-175.2	-163.6	149.4	0	0	111	L626 S632 L633 Q634 L1032 K1036 K1039	L626-E630 PolarHBondContact O-N 3.28Å; E630-S632 VanDerWaalsContact C-N 3.33Å; E630-S632 PolarHBondContact O-N 3.16Å; E630-L633 PolarHBondContact O-N 3.38Å; E630-Q634 WeakPolarHBondContact O-CB 3.24Å; E630-Q634 PolarHBondContact O-N 2.97Å; E630-L1032 HydrophobicContact CG-CD1 4.06Å; E630-K1036 HydrophobicContact CG-CB 4.47Å; E630-K1036 VanDerWaalsContact OE1-CG 3.32Å; E630-K1036 WeakPolarHBondContact OE1-CG 3.39Å; E630-K1036 IonicContact OE1-NZ 2.69Å; E630-K1036 PolarHBondContact OE1-NZ 3.16Å; E630-K1039 WeakPolarHBondContact OE2-CD 3.42Å; E630-K1039 IonicContact OE2-NZ 3.54Å; E630-K1039 PolarHBondContact OE2-NZ 3.04Å
631	K	59.1	Low	58.7	Low	109 Å²	109	68.9 Å²	68.9	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-41.4	178.7	-65.8	168.3	-162.8	157.2	0	112.4	T627 D628 Q634 T635	T627-K631 WeakPolarHBondContact O-CG 3.47Å; T627-K631 PolarHBondContact O-N 2.93Å; D628-K631 IonicContact OD1-NZ 2.66Å; D628-K631 PolarHBondContact OD1-NZ 2.99Å; K631-Q634 PolarHBondContact O-N 3.07Å; K631-T635 WeakPolarHBondContact O-CB 3.33Å; K631-T635 PolarHBondContact O-N 2.9Å; K631-T635 PolarHBondContact O-OG1 2.54Å
632	S	60.2	Low	58.2	Low	69 Å²	69	67.1 Å²	67.1	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-46.2	178.7	-174.9	0	0	0	0	111.6	D628 Q629 E630 T635 R636	D628-S632 WeakPolarHBondContact O-CB 3.12Å; D628-S632 PolarHBondContact O-N 3.4Å; Q629-S632 PolarHBondContact O-N 2.86Å; E630-S632 VanDerWaalsContact C-N 3.33Å; E630-S632 PolarHBondContact O-N 3.16Å; S632-T635 PolarHBondContact O-N 3.28Å; S632-R636 WeakPolarHBondContact O-CG 3.46Å; S632-R636 PolarHBondContact O-N 3.38Å
633	L	57	Low	58	Low	54 Å²	54	74 Å²	74	28%	0.283	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-45.2	174.6	-77.8	162.9	0	0	0	111.8	I574 Q629 E630 T635 R636 L637 L1032	I574-L633 HydrophobicContact CD1-CD1 3.94Å; Q629-L633 WeakPolarHBondContact O-CB 3.39Å; Q629-L633 PolarHBondContact O-N 2.91Å; E630-L633 PolarHBondContact O-N 3.38Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 2.77Å; L633-R636 PolarHBondContact O-N 2.82Å; L633-L637 WeakPolarHBondContact O-CB 3.02Å; L633-L637 PolarHBondContact O-N 3.12Å; L633-L1032 HydrophobicContact CB-CD1 4.1Å
634	Q	56.3	Low	57.7	Low	100 Å²	100	75 Å²	75	47%	0.467	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-39.7	177.1	-169.8	167.7	23.8	0	0	112.1	E630 K631 L637 S638 L1032	E630-Q634 WeakPolarHBondContact O-CB 3.24Å; E630-Q634 PolarHBondContact O-N 2.97Å; K631-Q634 PolarHBondContact O-N 3.07Å; Q634-L637 PolarHBondContact O-N 3.28Å; Q634-S638 PolarHBondContact O-N 2.89Å; Q634-L1032 HydrophobicContact CB-CD1 4.4Å; Q634-L1032 HydrophobicContact CB-CD2 3.78Å; Q634-L1032 HydrophobicContact CG-CD2 3.88Å
635	T	59.7	Low	57.2	Low	94 Å²	94	75.3 Å²	75.3	58%	0.577	39%	0.393	S	S	*	.	H	α-helix	trans	-64.1	-47.9	176.1	-54.1	0	0	0	0	110.9	K631 S632 L633 L637 S638 S639	K631-T635 WeakPolarHBondContact O-CB 3.33Å; K631-T635 PolarHBondContact O-N 2.9Å; K631-T635 PolarHBondContact O-OG1 2.54Å; S632-T635 PolarHBondContact O-N 3.28Å; L633-T635 VanDerWaalsContact C-N 3.3Å; L633-T635 PolarHBondContact O-N 2.77Å; T635-L637 PolarHBondContact O-N 3.35Å; T635-S638 PolarHBondContact O-N 3.28Å; T635-S638 PolarHBondContact O-OG 2.69Å; T635-S639 PolarHBondContact O-N 2.88Å; T635-S639 VanDerWaalsContact O-N 3.17Å
636	R	58.9	Low	56.8	Low	151 Å²	151	75.1 Å²	75.1	57%	0.57	40%	0.398	S	S	*	.	H	α-helix	trans	-63	-39.6	176.7	-70.1	179	68.4	-165.6	-0.5	112.8	S632 L633 S638 S639 I640	S632-R636 WeakPolarHBondContact O-CG 3.46Å; S632-R636 PolarHBondContact O-N 3.38Å; L633-R636 PolarHBondContact O-N 2.82Å; R636-S638 VanDerWaalsContact C-N 3.35Å; R636-S639 PolarHBondContact O-N 2.99Å; R636-S639 PolarHBondContact O-OG 3.2Å; R636-I640 WeakPolarHBondContact O-CG1 3.38Å; R636-I640 PolarHBondContact O-N 3.44Å
637	L	56.8	Low	56.6	Low	29 Å²	29	77.3 Å²	77.3	15%	0.152	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-42.8	176.9	-172.9	70.2	0	0	0	111.2	L633 Q634 T635 S639 I640 S641 A1028 L1032	L633-L637 WeakPolarHBondContact O-CB 3.02Å; L633-L637 PolarHBondContact O-N 3.12Å; Q634-L637 PolarHBondContact O-N 3.28Å; T635-L637 PolarHBondContact O-N 3.35Å; L637-S639 VanDerWaalsContact C-N 3.35Å; L637-S639 PolarHBondContact O-N 3.07Å; L637-I640 PolarHBondContact O-N 2.67Å; L637-S641 PolarHBondContact O-N 3.49Å; L637-A1028 HydrophobicContact CD1-CB 3.63Å; L637-L1032 HydrophobicContact CD2-CB 4.49Å; L637-L1032 HydrophobicContact CD2-CD2 3.66Å
638	S	56.8	Low	56.1	Low	74 Å²	74	79 Å²	79	52%	0.517	41%	0.413	S	S	.	.	H	α-helix	trans	-63.7	-37.4	176.9	74	0	0	0	0	112.9	Q634 T635 R636 S642	Q634-S638 PolarHBondContact O-N 2.89Å; T635-S638 PolarHBondContact O-N 3.28Å; T635-S638 PolarHBondContact O-OG 2.69Å; R636-S638 VanDerWaalsContact C-N 3.35Å; S638-S642 PolarHBondContact O-N 2.86Å
639	S	56	Low	55.7	Low	65 Å²	65	80.5 Å²	80.5	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-69.8	-40.5	176.6	70.1	0	0	0	0	112	T635 R636 L637 S642 R643	T635-S639 PolarHBondContact O-N 2.88Å; T635-S639 VanDerWaalsContact O-N 3.17Å; R636-S639 PolarHBondContact O-N 2.99Å; R636-S639 PolarHBondContact O-OG 3.2Å; L637-S639 VanDerWaalsContact C-N 3.35Å; L637-S639 PolarHBondContact O-N 3.07Å; S639-S642 PolarHBondContact O-N 2.97Å; S639-S642 PolarHBondContact O-OG 2.03Å; S639-R643 PolarHBondContact O-N 2.85Å
640	I	55.8	Low	55.4	Low	95 Å²	95	82.8 Å²	82.8	49%	0.487	43%	0.428	S	S	.	.	H	α-helix	trans	-58.8	-49.4	173.8	-68.2	165	0	0	0	110.6	R636 L637 S642 R643 Q644	R636-I640 WeakPolarHBondContact O-CG1 3.38Å; R636-I640 PolarHBondContact O-N 3.44Å; L637-I640 PolarHBondContact O-N 2.67Å; I640-S642 VanDerWaalsContact C-N 3.33Å; I640-S642 PolarHBondContact O-N 2.83Å; I640-R643 PolarHBondContact O-N 3.39Å; I640-R643 VanDerWaalsContact O-N 3.14Å; I640-Q644 WeakPolarHBondContact O-CB 3.28Å; I640-Q644 PolarHBondContact O-N 2.94Å
641	S	51.4	Low	55.2	Low	59 Å²	59	83.7 Å²	83.7	41%	0.413	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-41.6	177.4	177.4	0	0	0	0	112.6	L637 R643 Q644 L645	L637-S641 PolarHBondContact O-N 3.49Å; S641-R643 PolarHBondContact O-N 2.04Å; S641-Q644 PolarHBondContact O-N 2.66Å; S641-L645 PolarHBondContact O-N 3.38Å
642	S	53.9	Low	54.9	Low	68 Å²	68	83.7 Å²	83.7	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-33.7	176.6	72.2	0	0	0	0	113.7	S638 S639 I640 T646	S638-S642 PolarHBondContact O-N 2.86Å; S639-S642 PolarHBondContact O-N 2.97Å; S639-S642 PolarHBondContact O-OG 2.03Å; I640-S642 VanDerWaalsContact C-N 3.33Å; I640-S642 PolarHBondContact O-N 2.83Å; S642-T646 PolarHBondContact O-N 3.35Å; S642-T646 PolarHBondContact O-OG1 3.18Å
643	R	56.6	Low	54.5	Low	164 Å²	164	84.6 Å²	84.6	62%	0.619	44%	0.436	S	S	*	.	H	α-helix	trans	-74.6	-40.7	176.5	-142.7	-170.9	82	179	5.7	111	S639 I640 S641 L645 T646 E647	S639-R643 PolarHBondContact O-N 2.85Å; I640-R643 PolarHBondContact O-N 3.39Å; I640-R643 VanDerWaalsContact O-N 3.14Å; S641-R643 PolarHBondContact O-N 2.04Å; R643-L645 PolarHBondContact O-N 3.02Å; R643-T646 WeakPolarHBondContact O-CA 3.43Å; R643-T646 VanDerWaalsContact O-CB 3.31Å; R643-T646 WeakPolarHBondContact O-CB 3.03Å; R643-T646 PolarHBondContact O-N 2.91Å; R643-E647 IonicContact CZ-OE1 2.73Å; R643-E647 IonicContact NE-OE1 2.74Å; R643-E647 PolarHBondContact NE-OE1 3.06Å; R643-E647 IonicContact NH2-OE1 3.18Å; R643-E647 PolarHBondContact NH2-OE1 3.26Å; R643-E647 IonicContact NH2-OE2 3.55Å; R643-E647 PolarHBondContact O-N 3.26Å
644	Q	51.8	Low	54.2	Low	23 Å²	23	86.6 Å²	86.6	11%	0.107	45%	0.446	C	S	.	.	H	α-helix	trans	-58.8	-46.3	175	-172.5	-179.7	9.3	0	0	111.6	I640 S641 T646 E647 E648 A1021	I640-Q644 WeakPolarHBondContact O-CB 3.28Å; I640-Q644 PolarHBondContact O-N 2.94Å; S641-Q644 PolarHBondContact O-N 2.66Å; Q644-T646 PolarHBondContact O-N 3.1Å; Q644-T646 VanDerWaalsContact O-N 3.17Å; Q644-E647 PolarHBondContact O-N 2.87Å; Q644-E647 VanDerWaalsContact O-N 3.11Å; Q644-E648 VanDerWaalsContact O-CB 3.26Å; Q644-E648 WeakPolarHBondContact O-CB 3.29Å; Q644-E648 PolarHBondContact O-N 3.27Å; Q644-A1021 VanDerWaalsContact NE2-C 3.35Å
645	L	52.2	Low	53.9	Low	104 Å²	104	82.2 Å²	82.2	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-55.5	-32.6	174	-83.4	161.3	0	0	0	113	S641 R643 Q649	S641-L645 PolarHBondContact O-N 3.38Å; R643-L645 PolarHBondContact O-N 3.02Å; L645-Q649 WeakPolarHBondContact O-CB 3.29Å; L645-Q649 PolarHBondContact O-N 2.88Å; L645-Q649 VanDerWaalsContact O-N 3.17Å
646	T	54.8	Low	53.7	Low	83 Å²	83	83.3 Å²	83.3	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-75.6	-41.1	177.9	-51.9	0	0	0	0	111.5	S642 R643 Q644 Q649 Q650	S642-T646 PolarHBondContact O-N 3.35Å; S642-T646 PolarHBondContact O-OG1 3.18Å; R643-T646 WeakPolarHBondContact O-CA 3.43Å; R643-T646 VanDerWaalsContact O-CB 3.31Å; R643-T646 WeakPolarHBondContact O-CB 3.03Å; R643-T646 PolarHBondContact O-N 2.91Å; Q644-T646 PolarHBondContact O-N 3.1Å; Q644-T646 VanDerWaalsContact O-N 3.17Å; T646-Q649 PolarHBondContact O-N 3.12Å; T646-Q650 PolarHBondContact O-N 2.93Å; T646-Q650 VanDerWaalsContact O-N 3.15Å
647	E	52.3	Low	53.2	Low	76 Å²	76	80 Å²	80	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-67.6	-41.2	175.8	-69.7	163.3	-170.6	0	0	111.2	R643 Q644 Q649 Q650 V651	R643-E647 IonicContact CZ-OE1 2.73Å; R643-E647 IonicContact NE-OE1 2.74Å; R643-E647 PolarHBondContact NE-OE1 3.06Å; R643-E647 IonicContact NH2-OE1 3.18Å; R643-E647 PolarHBondContact NH2-OE1 3.26Å; R643-E647 IonicContact NH2-OE2 3.55Å; R643-E647 PolarHBondContact O-N 3.26Å; Q644-E647 PolarHBondContact O-N 2.87Å; Q644-E647 VanDerWaalsContact O-N 3.11Å; E647-Q649 VanDerWaalsContact C-N 3.32Å; E647-Q649 PolarHBondContact O-N 3.18Å; E647-Q650 WeakPolarHBondContact O-CB 3.42Å; E647-Q650 PolarHBondContact O-N 3.49Å; E647-Q650 VanDerWaalsContact O-N 3.08Å; E647-V651 WeakPolarHBondContact O-CG2 2.98Å; E647-V651 PolarHBondContact O-N 3.31Å
648	E	49.3	Very low	52.9	Low	61 Å²	61	80 Å²	80	29%	0.285	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-39.5	174.6	-164.4	174.1	-154.7	0	0	111.3	Q644 V651 Q652 Q1022	Q644-E648 VanDerWaalsContact O-CB 3.26Å; Q644-E648 WeakPolarHBondContact O-CB 3.29Å; Q644-E648 PolarHBondContact O-N 3.27Å; E648-V651 PolarHBondContact O-N 2.77Å; E648-Q652 WeakPolarHBondContact O-CG 3.32Å; E648-Q652 PolarHBondContact O-N 3.45Å; E648-Q1022 PolarHBondContact OE1-NE2 2.86Å
649	Q	53.7	Low	52.6	Low	125 Å²	125	82.4 Å²	82.4	58%	0.584	42%	0.423	S	S	*	.	H	α-helix	trans	-66.8	-34.3	173.4	-168.4	118.8	45.9	0	0	112.6	L645 T646 E647 N653	L645-Q649 WeakPolarHBondContact O-CB 3.29Å; L645-Q649 PolarHBondContact O-N 2.88Å; L645-Q649 VanDerWaalsContact O-N 3.17Å; T646-Q649 PolarHBondContact O-N 3.12Å; E647-Q649 VanDerWaalsContact C-N 3.32Å; E647-Q649 PolarHBondContact O-N 3.18Å; Q649-N653 PolarHBondContact O-N 3.42Å; Q649-N653 VanDerWaalsContact O-N 3.14Å
650	Q	53	Low	52.2	Low	120 Å²	120	84 Å²	84	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-69.2	-43.5	172.6	-71.4	-179.5	-16.5	0	0	111.7	T646 E647 Q652 N653 I654	T646-Q650 PolarHBondContact O-N 2.93Å; T646-Q650 VanDerWaalsContact O-N 3.15Å; E647-Q650 WeakPolarHBondContact O-CB 3.42Å; E647-Q650 PolarHBondContact O-N 3.49Å; E647-Q650 VanDerWaalsContact O-N 3.08Å; Q650-Q652 VanDerWaalsContact C-N 3.29Å; Q650-Q652 PolarHBondContact O-N 2.8Å; Q650-N653 PolarHBondContact O-N 3.32Å; Q650-N653 VanDerWaalsContact O-N 3.11Å; Q650-I654 WeakPolarHBondContact O-CG1 3.21Å; Q650-I654 PolarHBondContact O-N 3.47Å
651	V	53.6	Low	51.7	Low	34 Å²	34	82.9 Å²	82.9	21%	0.206	42%	0.418	C	S	.	.	H	α-helix	trans	-60	-38.7	173.8	174.5	0	0	0	0	111	E647 E648 I654 S655 E1015	E647-V651 WeakPolarHBondContact O-CG2 2.98Å; E647-V651 PolarHBondContact O-N 3.31Å; E648-V651 PolarHBondContact O-N 2.77Å; V651-I654 PolarHBondContact O-N 3.17Å; V651-S655 VanDerWaalsContact O-CB 3.25Å; V651-S655 WeakPolarHBondContact O-CB 3.44Å; V651-S655 PolarHBondContact O-N 3.05Å; V651-E1015 HydrophobicContact CG1-CG 4.41Å
652	Q	52.4	Low	51.4	Low	110 Å²	110	80.9 Å²	80.9	51%	0.514	41%	0.406	S	S	.	.	H	α-helix	trans	-63.8	-39.7	173.1	-74	-166.4	23	0	0	113.2	E648 Q650 S655 Q656	E648-Q652 WeakPolarHBondContact O-CG 3.32Å; E648-Q652 PolarHBondContact O-N 3.45Å; Q650-Q652 VanDerWaalsContact C-N 3.29Å; Q650-Q652 PolarHBondContact O-N 2.8Å; Q652-S655 PolarHBondContact O-N 3.44Å; Q652-Q656 WeakPolarHBondContact O-CB 2.99Å; Q652-Q656 VanDerWaalsContact O-CG 3.32Å; Q652-Q656 WeakPolarHBondContact O-CG 3.42Å; Q652-Q656 PolarHBondContact O-N 2.86Å
653	N	52	Low	51.3	Low	87 Å²	87	83.1 Å²	83.1	47%	0.465	41%	0.409	S	S	.	.	H	α-helix	trans	-65.8	-38.9	175.8	-71.5	-16.7	0	0	0	111.9	Q649 Q650 Q656 T657	Q649-N653 PolarHBondContact O-N 3.42Å; Q649-N653 VanDerWaalsContact O-N 3.14Å; Q650-N653 PolarHBondContact O-N 3.32Å; Q650-N653 VanDerWaalsContact O-N 3.11Å; N653-Q656 PolarHBondContact O-N 3.49Å; N653-T657 PolarHBondContact O-N 3.22Å; N653-T657 PolarHBondContact O-OG1 3.03Å
654	I	51.2	Low	50.7	Low	97 Å²	97	79.7 Å²	79.7	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-64.5	-48.2	173.2	-66	165.6	0	0	0	109.8	Q650 V651 Q656 T657 V658	Q650-I654 WeakPolarHBondContact O-CG1 3.21Å; Q650-I654 PolarHBondContact O-N 3.47Å; V651-I654 PolarHBondContact O-N 3.17Å; I654-Q656 VanDerWaalsContact C-N 3.29Å; I654-Q656 PolarHBondContact O-N 3.43Å; I654-T657 CarbonylContact O-C 3.52Å; I654-T657 WeakPolarHBondContact O-CA 3.46Å; I654-T657 WeakPolarHBondContact O-CB 3.37Å; I654-T657 PolarHBondContact O-N 2.93Å; I654-V658 HydrophobicContact CG2-CG2 4.32Å; I654-V658 WeakPolarHBondContact O-CG2 3.04Å; I654-V658 PolarHBondContact O-N 3.27Å
655	S	49.3	Very low	50.4	Low	7 Å²	7	81.9 Å²	81.9	5%	0.049	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-37	176.9	-164.9	0	0	0	0	112	V651 Q652 K659 E1015	V651-S655 VanDerWaalsContact O-CB 3.25Å; V651-S655 WeakPolarHBondContact O-CB 3.44Å; V651-S655 PolarHBondContact O-N 3.05Å; Q652-S655 PolarHBondContact O-N 3.44Å; S655-K659 WeakPolarHBondContact O-CB 3.02Å; S655-K659 VanDerWaalsContact O-CD 3.25Å; S655-K659 WeakPolarHBondContact O-CD 3.32Å; S655-K659 WeakPolarHBondContact O-CG 3.5Å; S655-K659 PolarHBondContact O-N 2.84Å; S655-K659 PolarHBondContact OG-NZ 3.45Å; S655-E1015 PolarHBondContact OG-OE1 3.48Å
656	Q	54.9	Low	50.1	Low	117 Å²	117	85 Å²	85	55%	0.547	42%	0.415	S	S	.	.	H	α-helix	trans	-66.6	-41.3	171.1	-74.2	177.7	43.3	0	0	112.5	Q652 N653 I654 K659 H660	Q652-Q656 WeakPolarHBondContact O-CB 2.99Å; Q652-Q656 VanDerWaalsContact O-CG 3.32Å; Q652-Q656 WeakPolarHBondContact O-CG 3.42Å; Q652-Q656 PolarHBondContact O-N 2.86Å; N653-Q656 PolarHBondContact O-N 3.49Å; I654-Q656 VanDerWaalsContact C-N 3.29Å; I654-Q656 PolarHBondContact O-N 3.43Å; Q656-K659 PolarHBondContact O-N 3.21Å; Q656-H660 PolarHBondContact O-N 2.54Å
657	T	49	Very low	49.6	Very low	82 Å²	82	85 Å²	85	50%	0.503	42%	0.415	S	S	.	.	H	α-helix	trans	-63.8	-46.5	176.9	-57.1	0	0	0	0	111.4	N653 I654 K659 H660 I661	N653-T657 PolarHBondContact O-N 3.22Å; N653-T657 PolarHBondContact O-OG1 3.03Å; I654-T657 CarbonylContact O-C 3.52Å; I654-T657 WeakPolarHBondContact O-CA 3.46Å; I654-T657 WeakPolarHBondContact O-CB 3.37Å; I654-T657 PolarHBondContact O-N 2.93Å; T657-K659 VanDerWaalsContact C-N 3.32Å; T657-K659 PolarHBondContact O-N 2.97Å; T657-H660 WeakPolarHBondContact O-CB 3.21Å; T657-H660 PolarHBondContact O-N 3.39Å; T657-H660 VanDerWaalsContact O-N 3.08Å; T657-I661 HydrophobicContact CG2-CD1 4.17Å; T657-I661 WeakPolarHBondContact O-CG1 3.13Å; T657-I661 PolarHBondContact O-N 3Å
658	V	50.5	Low	49	Very low	28 Å²	28	88.4 Å²	88.4	17%	0.17	43%	0.429	C	S	.	.	H	α-helix	trans	-61.9	-39.4	174.5	176.1	0	0	0	0	111.1	I654 H660 I661 G662 L1007 L1011	I654-V658 HydrophobicContact CG2-CG2 4.32Å; I654-V658 WeakPolarHBondContact O-CG2 3.04Å; I654-V658 PolarHBondContact O-N 3.27Å; V658-H660 VanDerWaalsContact C-N 3.32Å; V658-H660 PolarHBondContact O-N 3.04Å; V658-I661 PolarHBondContact O-N 3.13Å; V658-G662 PolarHBondContact O-N 3.1Å; V658-L1007 HydrophobicContact CG2-CD2 4.01Å; V658-L1007 HydrophobicContact CG2-CG 4.12Å; V658-L1011 HydrophobicContact CB-CD2 4.11Å; V658-L1011 HydrophobicContact CG1-CD2 3.95Å; V658-L1011 HydrophobicContact CG2-CD2 4.37Å
659	K	49.9	Very low	48.7	Very low	125 Å²	125	90.1 Å²	90.1	54%	0.543	44%	0.435	S	S	.	.	H	α-helix	trans	-63.6	-34.8	172.9	-76	161	-176	139.7	0	112.5	S655 Q656 T657 G662 Q663	S655-K659 WeakPolarHBondContact O-CB 3.02Å; S655-K659 VanDerWaalsContact O-CD 3.25Å; S655-K659 WeakPolarHBondContact O-CD 3.32Å; S655-K659 WeakPolarHBondContact O-CG 3.5Å; S655-K659 PolarHBondContact O-N 2.84Å; S655-K659 PolarHBondContact OG-NZ 3.45Å; Q656-K659 PolarHBondContact O-N 3.21Å; T657-K659 VanDerWaalsContact C-N 3.32Å; T657-K659 PolarHBondContact O-N 2.97Å; K659-G662 CarbonylContact O-C 3.09Å; K659-Q663 WeakPolarHBondContact O-CG 3.47Å; K659-Q663 PolarHBondContact O-N 3.34Å
660	H	48.9	Very low	48.3	Very low	99 Å²	99	87.1 Å²	87.1	46%	0.458	43%	0.428	S	S	.	.	H	α-helix	trans	-71.9	-44.8	175.6	-171.7	68.7	0	0	0	112.3	Q656 T657 V658 G662 Q663 Q664	Q656-H660 PolarHBondContact O-N 2.54Å; T657-H660 WeakPolarHBondContact O-CB 3.21Å; T657-H660 PolarHBondContact O-N 3.39Å; T657-H660 VanDerWaalsContact O-N 3.08Å; V658-H660 VanDerWaalsContact C-N 3.32Å; V658-H660 PolarHBondContact O-N 3.04Å; H660-G662 VanDerWaalsContact C-N 3.3Å; H660-G662 PolarHBondContact O-N 3.47Å; H660-Q663 WeakPolarHBondContact O-CA 3.31Å; H660-Q663 WeakPolarHBondContact O-CB 3.24Å; H660-Q663 PolarHBondContact O-N 2.87Å; H660-Q664 PolarHBondContact CD2-NE2 2.79Å; H660-Q664 PolarHBondContact NE2-NE2 3.11Å; H660-Q664 PolarHBondContact O-N 2.8Å
661	I	45.5	Very low	47.8	Very low	72 Å²	72	86.5 Å²	86.5	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-57.5	-46.1	172	-66.2	165.6	0	0	0	109.7	T657 V658 Q663 Q664 Q665 L1007	T657-I661 HydrophobicContact CG2-CD1 4.17Å; T657-I661 WeakPolarHBondContact O-CG1 3.13Å; T657-I661 PolarHBondContact O-N 3Å; V658-I661 PolarHBondContact O-N 3.13Å; I661-Q663 PolarHBondContact O-N 2.89Å; I661-Q664 PolarHBondContact O-N 3.25Å; I661-Q665 WeakPolarHBondContact O-CB 3.36Å; I661-Q665 PolarHBondContact O-N 3.11Å; I661-L1007 HydrophobicContact CD1-CD2 4.21Å
662	G	45.3	Very low	47.3	Very low	16 Å²	16	88.7 Å²	88.7	17%	0.165	44%	0.437	C	S	.	.	H	α-helix	trans	-69	-5.1	173.4	0	0	0	0	0	115.5	V658 K659 H660 R666	V658-G662 PolarHBondContact O-N 3.1Å; K659-G662 CarbonylContact O-C 3.09Å; H660-G662 VanDerWaalsContact C-N 3.3Å; H660-G662 PolarHBondContact O-N 3.47Å; G662-R666 PolarHBondContact O-NE 2.78Å; G662-R666 PolarHBondContact O-NH2 3.12Å
663	Q	50.3	Low	46.9	Very low	115 Å²	115	88.9 Å²	88.9	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-92	-47	164.4	-79.9	175.4	-19.9	0	0	110.5	K659 H660 I661 Q665 R666 T667	K659-Q663 WeakPolarHBondContact O-CG 3.47Å; K659-Q663 PolarHBondContact O-N 3.34Å; H660-Q663 WeakPolarHBondContact O-CA 3.31Å; H660-Q663 WeakPolarHBondContact O-CB 3.24Å; H660-Q663 PolarHBondContact O-N 2.87Å; I661-Q663 PolarHBondContact O-N 2.89Å; Q663-Q665 VanDerWaalsContact C-N 3.31Å; Q663-Q665 PolarHBondContact O-N 2.85Å; Q663-R666 WeakPolarHBondContact O-CA 3.01Å; Q663-R666 WeakPolarHBondContact O-CB 3.26Å; Q663-R666 PolarHBondContact O-N 3.44Å; Q663-T667 PolarHBondContact O-N 3.37Å; Q663-T667 PolarHBondContact O-OG1 3.41Å
664	Q	44.4	Very low	46.5	Very low	93 Å²	93	88.8 Å²	88.8	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-56.3	-44.9	175.2	-66.4	-176.2	-1.6	0	0	111.5	H660 I661 R666 T667 F668	H660-Q664 PolarHBondContact CD2-NE2 2.79Å; H660-Q664 PolarHBondContact NE2-NE2 3.11Å; H660-Q664 PolarHBondContact O-N 2.8Å; I661-Q664 PolarHBondContact O-N 3.25Å; Q664-R666 VanDerWaalsContact C-N 3.27Å; Q664-R666 PolarHBondContact O-N 2.77Å; Q664-T667 CarbonylContact O-C 3.47Å; Q664-T667 WeakPolarHBondContact O-CA 3.36Å; Q664-T667 WeakPolarHBondContact O-CB 3.04Å; Q664-T667 PolarHBondContact O-N 3.21Å; Q664-F668 VanDerWaalsContact O-CD2 3.24Å; Q664-F668 WeakPolarHBondContact O-CD2 3.32Å; Q664-F668 PolarHBondContact O-N 2.92Å
665	Q	45.5	Very low	46	Very low	68 Å²	68	88 Å²	88	32%	0.318	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-36.4	174.5	-167.8	-169.7	28.6	0	0	112.5	I661 Q663 K669	I661-Q665 WeakPolarHBondContact O-CB 3.36Å; I661-Q665 PolarHBondContact O-N 3.11Å; Q663-Q665 VanDerWaalsContact C-N 3.31Å; Q663-Q665 PolarHBondContact O-N 2.85Å; Q665-K669 WeakPolarHBondContact O-CB 3.32Å; Q665-K669 PolarHBondContact O-N 3.43Å
666	R	46	Very low	45.6	Very low	170 Å²	170	92.9 Å²	92.9	64%	0.642	46%	0.456	S	S	*	.	H	α-helix	trans	-70.9	-37.7	173.9	-88	179.2	-83.2	-170.1	-7.3	112.2	G662 Q663 Q664 K669 S670	G662-R666 PolarHBondContact O-NE 2.78Å; G662-R666 PolarHBondContact O-NH2 3.12Å; Q663-R666 WeakPolarHBondContact O-CA 3.01Å; Q663-R666 WeakPolarHBondContact O-CB 3.26Å; Q663-R666 PolarHBondContact O-N 3.44Å; Q664-R666 VanDerWaalsContact C-N 3.27Å; Q664-R666 PolarHBondContact O-N 2.77Å; R666-K669 PolarHBondContact O-N 3.4Å; R666-S670 WeakPolarHBondContact O-CB 3.42Å; R666-S670 PolarHBondContact O-N 2.92Å
667	T	44	Very low	45.1	Very low	83 Å²	83	91.9 Å²	91.9	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-46.4	171.9	-54.5	0	0	0	0	111.2	Q663 Q664 K669 S670 K671	Q663-T667 PolarHBondContact O-N 3.37Å; Q663-T667 PolarHBondContact O-OG1 3.41Å; Q664-T667 CarbonylContact O-C 3.47Å; Q664-T667 WeakPolarHBondContact O-CA 3.36Å; Q664-T667 WeakPolarHBondContact O-CB 3.04Å; Q664-T667 PolarHBondContact O-N 3.21Å; T667-K669 PolarHBondContact O-N 3.13Å; T667-S670 WeakPolarHBondContact O-CB 3.48Å; T667-S670 PolarHBondContact O-N 3.36Å; T667-K671 WeakPolarHBondContact O-CG 3.48Å; T667-K671 PolarHBondContact O-N 2.93Å
668	F	40.6	Very low	44.7	Very low	147 Å²	147	92.8 Å²	92.8	65%	0.645	46%	0.459	S	S	*	.	H	α-helix	trans	-60.2	-45	173.7	-79.3	-67.1	0	0	0	111.9	Q664 S670 K671 V672	Q664-F668 VanDerWaalsContact O-CD2 3.24Å; Q664-F668 WeakPolarHBondContact O-CD2 3.32Å; Q664-F668 PolarHBondContact O-N 2.92Å; F668-S670 VanDerWaalsContact C-N 3.31Å; F668-S670 PolarHBondContact O-N 2.69Å; F668-K671 PolarHBondContact O-N 2.88Å; F668-K671 VanDerWaalsContact O-N 3.12Å; F668-V672 WeakPolarHBondContact O-CG2 3.32Å; F668-V672 PolarHBondContact O-N 2.89Å
669	K	42.7	Very low	44.3	Very low	98 Å²	98	95.3 Å²	95.3	43%	0.426	47%	0.471	S	S	.	.	H	α-helix	trans	-59.7	-40.8	175.5	-163.9	159.9	-171	153.9	0	112	Q665 R666 T667 Q673 E1001	Q665-K669 WeakPolarHBondContact O-CB 3.32Å; Q665-K669 PolarHBondContact O-N 3.43Å; R666-K669 PolarHBondContact O-N 3.4Å; T667-K669 PolarHBondContact O-N 3.13Å; K669-Q673 WeakPolarHBondContact O-CG 3.35Å; K669-Q673 PolarHBondContact O-N 3.46Å; K669-E1001 IonicContact NZ-OE1 2.73Å; K669-E1001 PolarHBondContact NZ-OE1 2.9Å
670	S	44.6	Very low	43.9	Very low	61 Å²	61	91.1 Å²	91.1	43%	0.427	46%	0.464	S	S	.	.	H	α-helix	trans	-66.1	-37.8	173.8	-167.1	0	0	0	0	112.9	R666 T667 F668 Q673 E674	R666-S670 WeakPolarHBondContact O-CB 3.42Å; R666-S670 PolarHBondContact O-N 2.92Å; T667-S670 WeakPolarHBondContact O-CB 3.48Å; T667-S670 PolarHBondContact O-N 3.36Å; F668-S670 VanDerWaalsContact C-N 3.31Å; F668-S670 PolarHBondContact O-N 2.69Å; S670-Q673 PolarHBondContact O-N 2.87Å; S670-E674 WeakPolarHBondContact O-CG 2.96Å; S670-E674 PolarHBondContact O-N 2.79Å
671	K	42.3	Very low	43.6	Very low	107 Å²	107	88.6 Å²	88.6	47%	0.465	46%	0.46	S	S	.	.	H	α-helix	trans	-71.3	-37.6	177.4	-71.6	-74.7	153.5	-158.2	0	112.2	T667 F668 E674 V675	T667-K671 WeakPolarHBondContact O-CG 3.48Å; T667-K671 PolarHBondContact O-N 2.93Å; F668-K671 PolarHBondContact O-N 2.88Å; F668-K671 VanDerWaalsContact O-N 3.12Å; K671-E674 WeakPolarHBondContact CD-OE2 3.2Å; K671-E674 WeakPolarHBondContact CE-OE2 3.05Å; K671-E674 VanDerWaalsContact NZ-CD 3.34Å; K671-E674 IonicContact NZ-OE1 2.71Å; K671-E674 PolarHBondContact NZ-OE1 3.06Å; K671-E674 IonicContact NZ-OE2 3.18Å; K671-E674 PolarHBondContact NZ-OE2 3.21Å; K671-E674 PolarHBondContact O-N 3.11Å; K671-V675 WeakPolarHBondContact O-CG2 3.27Å; K671-V675 PolarHBondContact O-N 3.34Å
672	V	44	Very low	43.3	Very low	81 Å²	81	90.6 Å²	90.6	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-62.9	-44.4	170.3	172.2	0	0	0	0	110.4	F668 E674 V675 E676	F668-V672 WeakPolarHBondContact O-CG2 3.32Å; F668-V672 PolarHBondContact O-N 2.89Å; V672-E674 PolarHBondContact O-N 2.86Å; V672-V675 PolarHBondContact O-N 2.76Å; V672-E676 HydrophobicContact CG1-CG 4.44Å; V672-E676 WeakPolarHBondContact O-CG 2.99Å; V672-E676 PolarHBondContact O-N 2.99Å
673	Q	43.1	Very low	43.1	Very low	113 Å²	113	96.5 Å²	96.5	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-64.9	-36.6	175.6	-73.1	-170.2	-78.9	0	0	113.2	K669 S670 E676 T677	K669-Q673 WeakPolarHBondContact O-CG 3.35Å; K669-Q673 PolarHBondContact O-N 3.46Å; S670-Q673 PolarHBondContact O-N 2.87Å; Q673-E676 PolarHBondContact O-N 3.06Å; Q673-T677 WeakPolarHBondContact O-CG2 3.01Å; Q673-T677 PolarHBondContact O-N 2.85Å; Q673-T677 PolarHBondContact O-OG1 3.36Å
674	E	43.8	Very low	42.8	Very low	85 Å²	85	97.3 Å²	97.3	40%	0.397	49%	0.492	S	S	.	.	H	α-helix	trans	-58.9	-47.2	170.3	-80.3	176.4	180	0	0	111	S670 K671 V672 T677 L678	S670-E674 WeakPolarHBondContact O-CG 2.96Å; S670-E674 PolarHBondContact O-N 2.79Å; K671-E674 WeakPolarHBondContact CD-OE2 3.2Å; K671-E674 WeakPolarHBondContact CE-OE2 3.05Å; K671-E674 VanDerWaalsContact NZ-CD 3.34Å; K671-E674 IonicContact NZ-OE1 2.71Å; K671-E674 PolarHBondContact NZ-OE1 3.06Å; K671-E674 IonicContact NZ-OE2 3.18Å; K671-E674 PolarHBondContact NZ-OE2 3.21Å; K671-E674 PolarHBondContact O-N 3.11Å; V672-E674 PolarHBondContact O-N 2.86Å; E674-T677 WeakPolarHBondContact CA-OG1 3.38Å; E674-T677 PolarHBondContact O-N 2.85Å; E674-T677 PolarHBondContact O-OG1 3.03Å; E674-L678 WeakPolarHBondContact O-CB 3.14Å; E674-L678 PolarHBondContact O-N 2.79Å
675	V	41.5	Very low	42.6	Very low	81 Å²	81	98.1 Å²	98.1	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.3	171.3	0	0	0	0	111.8	K671 V672 T677 L678 I679	K671-V675 WeakPolarHBondContact O-CG2 3.27Å; K671-V675 PolarHBondContact O-N 3.34Å; V672-V675 PolarHBondContact O-N 2.76Å; V675-T677 VanDerWaalsContact C-N 3.34Å; V675-T677 PolarHBondContact O-N 2.84Å; V675-L678 WeakPolarHBondContact O-CB 3.33Å; V675-L678 PolarHBondContact O-N 3.45Å; V675-I679 HydrophobicContact CG1-CD1 3.85Å; V675-I679 HydrophobicContact CG1-CG1 4.48Å; V675-I679 WeakPolarHBondContact O-CG1 3.39Å; V675-I679 PolarHBondContact O-N 2.94Å
676	E	40.7	Very low	42.4	Very low	109 Å²	109	101 Å²	101	51%	0.509	52%	0.515	S	S	.	.	H	α-helix	trans	-59.8	-42.2	173.4	-72.4	178.1	144	0	0	111.6	V672 Q673 I679 G680	V672-E676 HydrophobicContact CG1-CG 4.44Å; V672-E676 WeakPolarHBondContact O-CG 2.99Å; V672-E676 PolarHBondContact O-N 2.99Å; Q673-E676 PolarHBondContact O-N 3.06Å; E676-I679 PolarHBondContact O-N 2.88Å; E676-G680 PolarHBondContact O-N 3.02Å
677	T	44.5	Very low	42.2	Very low	96 Å²	96	96.9 Å²	96.9	59%	0.589	51%	0.506	S	S	*	.	H	α-helix	trans	-70.2	-31.7	175.2	57.3	0	0	0	0	113.4	Q673 E674 V675 G680 A681	Q673-T677 WeakPolarHBondContact O-CG2 3.01Å; Q673-T677 PolarHBondContact O-N 2.85Å; Q673-T677 PolarHBondContact O-OG1 3.36Å; E674-T677 WeakPolarHBondContact CA-OG1 3.38Å; E674-T677 PolarHBondContact O-N 2.85Å; E674-T677 PolarHBondContact O-OG1 3.03Å; V675-T677 VanDerWaalsContact C-N 3.34Å; V675-T677 PolarHBondContact O-N 2.84Å; T677-G680 PolarHBondContact O-N 3.39Å; T677-A681 VanDerWaalsContact O-CB 3.27Å; T677-A681 WeakPolarHBondContact O-CB 3.44Å; T677-A681 PolarHBondContact O-N 2.79Å
678	L	41.7	Very low	42.1	Very low	102 Å²	102	95.9 Å²	95.9	53%	0.534	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-43.8	172.4	-97.7	156	0	0	0	111.5	E674 V675 G680 A681 M682	E674-L678 WeakPolarHBondContact O-CB 3.14Å; E674-L678 PolarHBondContact O-N 2.79Å; V675-L678 WeakPolarHBondContact O-CB 3.33Å; V675-L678 PolarHBondContact O-N 3.45Å; L678-G680 VanDerWaalsContact C-N 3.34Å; L678-A681 PolarHBondContact O-N 3.42Å; L678-M682 WeakPolarHBondContact O-CB 3.33Å; L678-M682 WeakPolarHBondContact O-CG 3.33Å; L678-M682 PolarHBondContact O-N 3.14Å
679	I	41.7	Very low	42	Very low	80 Å²	80	91.1 Å²	91.1	41%	0.41	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-41.4	173.5	-68.1	166	0	0	0	110.3	V675 E676 M682 K683	V675-I679 HydrophobicContact CG1-CD1 3.85Å; V675-I679 HydrophobicContact CG1-CG1 4.48Å; V675-I679 WeakPolarHBondContact O-CG1 3.39Å; V675-I679 PolarHBondContact O-N 2.94Å; E676-I679 PolarHBondContact O-N 2.88Å; I679-M682 PolarHBondContact O-N 2.77Å; I679-K683 HydrophobicContact CG2-CD 4.32Å; I679-K683 WeakPolarHBondContact O-CB 3.46Å; I679-K683 WeakPolarHBondContact O-CG 3.44Å; I679-K683 PolarHBondContact O-N 2.62Å
680	G	41.5	Very low	41.8	Very low	38 Å²	38	92.3 Å²	92.3	39%	0.392	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-42.8	173.3	0	0	0	0	0	113.2	E676 T677 L678 K683 K684	E676-G680 PolarHBondContact O-N 3.02Å; T677-G680 PolarHBondContact O-N 3.39Å; L678-G680 VanDerWaalsContact C-N 3.34Å; G680-K683 PolarHBondContact O-N 2.94Å; G680-K684 WeakPolarHBondContact O-CB 3.42Å; G680-K684 PolarHBondContact O-N 3.26Å
681	A	43	Very low	41.6	Very low	46 Å²	46	93.1 Å²	93.1	38%	0.38	49%	0.491	S	S	.	.	H	α-helix	trans	-66.3	-41.9	176.6	0	0	0	0	0	111.9	T677 L678 K684 L685	T677-A681 VanDerWaalsContact O-CB 3.27Å; T677-A681 WeakPolarHBondContact O-CB 3.44Å; T677-A681 PolarHBondContact O-N 2.79Å; L678-A681 PolarHBondContact O-N 3.42Å; A681-K684 PolarHBondContact O-N 2.89Å; A681-L685 WeakPolarHBondContact O-CB 3.43Å; A681-L685 WeakPolarHBondContact O-CG 3.4Å; A681-L685 PolarHBondContact O-N 2.74Å
682	M	38.3	Very low	41.4	Very low	113 Å²	113	94.3 Å²	94.3	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-41.3	174.8	-75.1	-164.3	-80.2	0	0	112.2	L678 I679 K684 L685 L686	L678-M682 WeakPolarHBondContact O-CB 3.33Å; L678-M682 WeakPolarHBondContact O-CG 3.33Å; L678-M682 PolarHBondContact O-N 3.14Å; I679-M682 PolarHBondContact O-N 2.77Å; M682-K684 VanDerWaalsContact C-N 3.33Å; M682-K684 PolarHBondContact O-N 3.03Å; M682-L685 PolarHBondContact O-N 3.29Å; M682-L686 PolarHBondContact O-N 3.36Å
683	K	40.6	Very low	41.2	Very low	141 Å²	141	97.2 Å²	97.2	61%	0.613	51%	0.508	S	S	*	.	H	α-helix	trans	-59	-42.4	171.6	-75.8	178.7	178.3	-177	0	111.7	I679 G680 L686 D687	I679-K683 HydrophobicContact CG2-CD 4.32Å; I679-K683 WeakPolarHBondContact O-CB 3.46Å; I679-K683 WeakPolarHBondContact O-CG 3.44Å; I679-K683 PolarHBondContact O-N 2.62Å; G680-K683 PolarHBondContact O-N 2.94Å; K683-L686 WeakPolarHBondContact O-CB 3.25Å; K683-L686 PolarHBondContact O-N 3.48Å; K683-D687 PolarHBondContact O-N 3.24Å; K683-D687 VanDerWaalsContact O-N 3.15Å
684	K	43.6	Very low	40.8	Very low	131 Å²	131	99.2 Å²	99.2	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-66	-41.8	175.8	-168.2	-178.7	-177.2	-98.8	0	112.6	G680 A681 M682 L686 D687 E688	G680-K684 WeakPolarHBondContact O-CB 3.42Å; G680-K684 PolarHBondContact O-N 3.26Å; A681-K684 PolarHBondContact O-N 2.89Å; M682-K684 VanDerWaalsContact C-N 3.33Å; M682-K684 PolarHBondContact O-N 3.03Å; K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.44Å; K684-D687 PolarHBondContact O-N 3.21Å; K684-E688 IonicContact NZ-OE1 3.77Å; K684-E688 PolarHBondContact NZ-OE1 3.07Å; K684-E688 WeakPolarHBondContact O-CB 3.43Å; K684-E688 WeakPolarHBondContact O-CG 3.37Å; K684-E688 PolarHBondContact O-N 3.31Å
685	L	42	Very low	40.4	Very low	111 Å²	111	98.1 Å²	98.1	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-63.1	-33.9	174.4	-75.7	166.8	0	0	0	111.7	A681 M682 E688 A689	A681-L685 WeakPolarHBondContact O-CB 3.43Å; A681-L685 WeakPolarHBondContact O-CG 3.4Å; A681-L685 PolarHBondContact O-N 2.74Å; M682-L685 PolarHBondContact O-N 3.29Å; L685-E688 PolarHBondContact O-N 3.14Å; L685-A689 VanDerWaalsContact O-CB 3.32Å; L685-A689 WeakPolarHBondContact O-CB 3.49Å; L685-A689 PolarHBondContact O-N 3.38Å
686	L	39.4	Very low	40.2	Very low	127 Å²	127	101.3 Å²	101.3	67%	0.665	54%	0.542	S	S	*	.	H	α-helix	trans	-62.5	-50.3	172.6	-123.3	73.6	0	0	0	112.1	M682 K683 K684 A689 K690	M682-L686 PolarHBondContact O-N 3.36Å; K683-L686 WeakPolarHBondContact O-CB 3.25Å; K683-L686 PolarHBondContact O-N 3.48Å; K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.44Å; L686-A689 PolarHBondContact O-N 3.35Å; L686-K690 WeakPolarHBondContact O-CB 3.41Å; L686-K690 PolarHBondContact O-N 3.26Å
687	D	42	Very low	40.1	Very low	85 Å²	85	105.1 Å²	105.1	46%	0.455	56%	0.56	S	S	.	*	H	α-helix	trans	-68.6	-31.9	177.2	-86.6	-34.3	0	0	0	112.5	K683 K684 K690 T691	K683-D687 PolarHBondContact O-N 3.24Å; K683-D687 VanDerWaalsContact O-N 3.15Å; K684-D687 PolarHBondContact O-N 3.21Å; D687-K690 WeakPolarHBondContact OD1-CD 3.19Å; D687-K690 WeakPolarHBondContact OD1-CE 3.05Å; D687-K690 IonicContact OD1-NZ 2.74Å; D687-K690 PolarHBondContact OD1-NZ 3.16Å; D687-T691 WeakPolarHBondContact O-CB 3.48Å; D687-T691 WeakPolarHBondContact O-CG2 3.3Å; D687-T691 PolarHBondContact O-N 3.32Å; D687-T691 PolarHBondContact O-OG1 3.06Å
688	E	42.1	Very low	39.7	Very low	61 Å²	61	108.3 Å²	108.3	29%	0.285	57%	0.572	S	S	.	*	H	α-helix	trans	-69	-34.9	171.5	-80.1	-165.7	-143.1	0	0	113.1	K684 L685 T691 K692	K684-E688 IonicContact NZ-OE1 3.77Å; K684-E688 PolarHBondContact NZ-OE1 3.07Å; K684-E688 WeakPolarHBondContact O-CB 3.43Å; K684-E688 WeakPolarHBondContact O-CG 3.37Å; K684-E688 PolarHBondContact O-N 3.31Å; L685-E688 PolarHBondContact O-N 3.14Å; E688-T691 WeakPolarHBondContact CA-OG1 3.39Å; E688-T691 PolarHBondContact O-OG1 3.41Å; E688-K692 WeakPolarHBondContact O-CB 3.42Å; E688-K692 WeakPolarHBondContact O-CD 3.29Å; E688-K692 WeakPolarHBondContact O-CE 3.11Å; E688-K692 WeakPolarHBondContact O-CG 3.18Å; E688-K692 PolarHBondContact O-N 3.13Å; E688-K692 VanDerWaalsContact O-N 3.15Å; E688-K692 IonicContact OE2-NZ 2.87Å; E688-K692 PolarHBondContact OE2-NZ 3.03Å
689	A	39.9	Very low	39.6	Very low	48 Å²	48	109 Å²	109	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-69.3	-48.2	172.7	0	0	0	0	0	110.7	L685 L686 T691 K692 I693	L685-A689 VanDerWaalsContact O-CB 3.32Å; L685-A689 WeakPolarHBondContact O-CB 3.49Å; L685-A689 PolarHBondContact O-N 3.38Å; L686-A689 PolarHBondContact O-N 3.35Å; A689-T691 VanDerWaalsContact C-N 3.29Å; A689-T691 PolarHBondContact O-N 3.48Å; A689-K692 PolarHBondContact O-N 3.44Å; A689-K692 VanDerWaalsContact O-N 3.09Å; A689-I693 WeakPolarHBondContact O-CB 3.35Å; A689-I693 WeakPolarHBondContact O-CD1 3.28Å; A689-I693 VanDerWaalsContact O-CG1 3.24Å; A689-I693 WeakPolarHBondContact O-CG1 3.37Å; A689-I693 PolarHBondContact O-N 3.2Å
690	K	38.6	Very low	39.5	Very low	123 Å²	123	111.5 Å²	111.5	54%	0.535	60%	0.602	S	S	.	*	H	α-helix	trans	-56.2	-36	176.6	179.6	-171.6	179	-176.1	0	113.5	L686 D687 Q694	L686-K690 WeakPolarHBondContact O-CB 3.41Å; L686-K690 PolarHBondContact O-N 3.26Å; D687-K690 WeakPolarHBondContact OD1-CD 3.19Å; D687-K690 WeakPolarHBondContact OD1-CE 3.05Å; D687-K690 IonicContact OD1-NZ 2.74Å; D687-K690 PolarHBondContact OD1-NZ 3.16Å; K690-Q694 WeakPolarHBondContact O-CG 3.5Å
691	T	39.6	Very low	39.1	Very low	77 Å²	77	119.7 Å²	119.7	47%	0.472	62%	0.621	S	S	.	*	H	α-helix	trans	-80.2	-31.9	174.2	45.4	0	0	0	0	113.3	D687 E688 A689 Q694	D687-T691 WeakPolarHBondContact O-CB 3.48Å; D687-T691 WeakPolarHBondContact O-CG2 3.3Å; D687-T691 PolarHBondContact O-N 3.32Å; D687-T691 PolarHBondContact O-OG1 3.06Å; E688-T691 WeakPolarHBondContact CA-OG1 3.39Å; E688-T691 PolarHBondContact O-OG1 3.41Å; A689-T691 VanDerWaalsContact C-N 3.29Å; A689-T691 PolarHBondContact O-N 3.48Å; T691-Q694 WeakPolarHBondContact O-CB 3.03Å; T691-Q694 PolarHBondContact O-N 2.87Å
692	K	38.8	Very low	38.7	Very low	132 Å²	132	123.1 Å²	123.1	57%	0.574	63%	0.633	S	S	*	*	H	α-helix	trans	-71.1	-32.5	172.8	-69.8	161.6	-161	162.2	0	112	E688 A689 Q694 A695	E688-K692 WeakPolarHBondContact O-CB 3.42Å; E688-K692 WeakPolarHBondContact O-CD 3.29Å; E688-K692 WeakPolarHBondContact O-CE 3.11Å; E688-K692 WeakPolarHBondContact O-CG 3.18Å; E688-K692 PolarHBondContact O-N 3.13Å; E688-K692 VanDerWaalsContact O-N 3.15Å; E688-K692 IonicContact OE2-NZ 2.87Å; E688-K692 PolarHBondContact OE2-NZ 3.03Å; A689-K692 PolarHBondContact O-N 3.44Å; A689-K692 VanDerWaalsContact O-N 3.09Å; K692-Q694 PolarHBondContact O-N 3.44Å; K692-A695 PolarHBondContact O-N 3.21Å
693	I	38.7	Very low	38.3	Very low	143 Å²	143	125.6 Å²	125.6	73%	0.733	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-22	172.5	-73.4	163.7	0	0	0	112.6	A689 A695	A689-I693 WeakPolarHBondContact O-CB 3.35Å; A689-I693 WeakPolarHBondContact O-CD1 3.28Å; A689-I693 VanDerWaalsContact O-CG1 3.24Å; A689-I693 WeakPolarHBondContact O-CG1 3.37Å; A689-I693 PolarHBondContact O-N 3.2Å; I693-A695 PolarHBondContact O-N 3.16Å
694	Q	35.4	Very low	38.8	Very low	154 Å²	154	123.9 Å²	123.9	72%	0.72	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	0.7	176.8	-69.3	172.9	-26.6	0	0	113.9	K690 T691 K692	K690-Q694 WeakPolarHBondContact O-CG 3.5Å; T691-Q694 WeakPolarHBondContact O-CB 3.03Å; T691-Q694 PolarHBondContact O-N 2.87Å; K692-Q694 PolarHBondContact O-N 3.44Å
695	A	35.3	Very low	38.7	Very low	63 Å²	63	125.5 Å²	125.5	52%	0.521	67%	0.666	S	S	.	*	S	Bend	trans	-136.4	123.3	-167.9	0	0	0	0	0	115.2	K692 I693	K692-A695 PolarHBondContact O-N 3.21Å; I693-A695 PolarHBondContact O-N 3.16Å
696	V	36.5	Very low	38.6	Very low	148 Å²	148	127.1 Å²	127.1	90%	0.897	68%	0.68	S	S	*	*			trans	89.7	148	160.8	-170.1	0	0	0	0	117.5
697	E	38.5	Very low	38.9	Very low	189 Å²	189	126.9 Å²	126.9	88%	0.883	69%	0.689	S	S	*	*			trans	-112.8	174.2	-160.3	-58.6	160.9	114.1	0	0	113.3
698	L	37.3	Very low	38.9	Very low	162 Å²	162	125.6 Å²	125.6	85%	0.848	70%	0.696	S	S	*	*			trans	-92.6	150.5	-177.4	-65.4	164.7	0	0	0	112.9
699	P	38.3	Very low	38.9	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	71%	0.711	S	S	*	*				-158.2	138.5	99.4	37.1	-16.5	0	0	0	120.1
700	V	40	Very low	39	Very low	132 Å²	132	130.9 Å²	130.9	80%	0.8	73%	0.726	S	S	*	*			trans	37	144.8	135.2	-150.9	0	0	0	0	124.2
701	R	32.6	Very low	39	Very low	211 Å²	211	129.3 Å²	129.3	80%	0.796	73%	0.73	S	S	*	*			trans	104	148.3	158.2	-64.5	-171.5	168.5	-100.7	-0.2	116.6
702	D	35.5	Very low	38.9	Very low	118 Å²	118	128.7 Å²	128.7	63%	0.631	73%	0.729	S	S	*	*			cis	-162.5	174.4	-14.8	-97.4	-22.4	0	0	0	110.1
703	D	29.9	Very low	38.9	Very low	164 Å²	164	127 Å²	127	88%	0.877	73%	0.726	S	S	*	*			trans	93.7	146.7	165.1	-96.4	-17.3	0	0	0	121.5
704	P	50.2	Low	39	Very low	105 Å²	105	124.4 Å²	124.4	68%	0.682	72%	0.716	S	S	*	*			trans	-118.1	147.1	-171.8	40.7	-29.4	0	0	0	116
705	L	43.1	Very low	39.3	Very low	166 Å²	166	124.4 Å²	124.4	87%	0.869	72%	0.716	S	S	*	*			trans	173.4	116.7	143.8	-102.4	160.8	0	0	0	112.4
706	T	38.3	Very low	39.6	Very low	144 Å²	144	128 Å²	128	88%	0.883	72%	0.722	S	S	*	*			trans	177.7	104.9	141.9	33.8	0	0	0	0	110.4
707	S	45.9	Very low	39.8	Very low	123 Å²	123	123.8 Å²	123.8	86%	0.86	70%	0.702	S	S	*	*			trans	-107.4	3.2	176.2	54.4	0	0	0	0	114.6
708	G	42.8	Very low	39.7	Very low	57 Å²	57	118.5 Å²	118.5	59%	0.588	68%	0.683	S	S	*	*	S	Bend	trans	-86	-28.8	-170.7	0	0	0	0	0	116.8
709	S	42	Very low	39.9	Very low	86 Å²	86	112.7 Å²	112.7	60%	0.601	66%	0.663	S	S	*	*	H	α-helix	trans	-71.9	-36.4	-163.2	-164.1	0	0	0	0	114.7	S711 S712	S709-S711 VanDerWaalsContact C-N 3.34Å; S709-S711 PolarHBondContact O-N 2.85Å; S709-S712 PolarHBondContact O-OG 2.93Å
710	L	40.8	Very low	39.9	Very low	135 Å²	135	111.6 Å²	111.6	71%	0.707	65%	0.65	S	S	*	*	H	α-helix	trans	-70.7	-28.4	-169.3	-160.1	68.8	0	0	0	113.3	V714	L710-V714 WeakPolarHBondContact O-CG2 3Å; L710-V714 PolarHBondContact O-N 3.21Å
711	S	39.3	Very low	39.8	Very low	90 Å²	90	108 Å²	108	63%	0.629	63%	0.634	S	S	*	*	H	α-helix	trans	-72.4	-38.9	-174	-165.8	0	0	0	0	113.2	S709 Q715	S709-S711 VanDerWaalsContact C-N 3.34Å; S709-S711 PolarHBondContact O-N 2.85Å; S711-Q715 PolarHBondContact O-N 2.86Å
712	S	37.6	Very low	40.2	Very low	63 Å²	63	102.9 Å²	102.9	44%	0.441	62%	0.622	S	S	.	*	H	α-helix	trans	-71.3	-34.7	177.9	49	0	0	0	0	112.7	S709 Q715 Q716	S709-S712 PolarHBondContact O-OG 2.93Å; S712-Q715 PolarHBondContact O-N 3.46Å; S712-Q716 WeakPolarHBondContact O-CG 3.3Å; S712-Q716 PolarHBondContact O-N 3.16Å
713	L	39.2	Very low	40.5	Very low	98 Å²	98	104.2 Å²	104.2	51%	0.513	62%	0.623	S	S	.	*	H	α-helix	trans	-62.2	-44.6	175.3	-89.4	158.4	0	0	0	111.8	Q715 Q716 A717	L713-Q715 VanDerWaalsContact C-N 3.31Å; L713-Q715 PolarHBondContact O-N 2.92Å; L713-Q716 PolarHBondContact O-N 2.99Å; L713-A717 WeakPolarHBondContact O-CB 3.48Å; L713-A717 PolarHBondContact O-N 3.09Å
714	V	40.7	Very low	40.9	Very low	88 Å²	88	102.2 Å²	102.2	53%	0.533	61%	0.608	S	S	.	*	H	α-helix	trans	-60.4	-41.6	175	171.6	0	0	0	0	111.5	L710 A717 T718	L710-V714 WeakPolarHBondContact O-CG2 3Å; L710-V714 PolarHBondContact O-N 3.21Å; V714-A717 PolarHBondContact O-N 2.69Å; V714-T718 PolarHBondContact O-N 2.66Å; V714-T718 PolarHBondContact O-OG1 3.21Å
715	Q	41	Very low	40.3	Very low	153 Å²	153	103.5 Å²	103.5	72%	0.715	60%	0.603	S	S	*	*	H	α-helix	trans	-68.8	-37	-179.1	-142.3	172.2	13.7	0	0	112.4	S711 S712 L713 G719	S711-Q715 PolarHBondContact O-N 2.86Å; S712-Q715 PolarHBondContact O-N 3.46Å; L713-Q715 VanDerWaalsContact C-N 3.31Å; L713-Q715 PolarHBondContact O-N 2.92Å; Q715-G719 PolarHBondContact O-N 2.99Å
716	Q	42.9	Very low	40.2	Very low	140 Å²	140	100.3 Å²	100.3	65%	0.654	59%	0.59	S	S	*	*	H	α-helix	trans	-67.4	-43.6	171.7	-74.2	179.7	-17	0	0	112.1	S712 L713 T718 G719 L720	S712-Q716 WeakPolarHBondContact O-CG 3.3Å; S712-Q716 PolarHBondContact O-N 3.16Å; L713-Q716 PolarHBondContact O-N 2.99Å; Q716-T718 VanDerWaalsContact C-N 3.32Å; Q716-T718 PolarHBondContact O-N 2.82Å; Q716-G719 PolarHBondContact O-N 3.29Å; Q716-L720 PolarHBondContact O-N 3.06Å
717	A	39.1	Very low	40.2	Very low	58 Å²	58	96 Å²	96	48%	0.479	57%	0.569	S	S	.	*	H	α-helix	trans	-60.9	-38.5	178	0	0	0	0	0	112.6	L713 V714 L720 A721	L713-A717 WeakPolarHBondContact O-CB 3.48Å; L713-A717 PolarHBondContact O-N 3.09Å; V714-A717 PolarHBondContact O-N 2.69Å; A717-L720 PolarHBondContact O-N 3.41Å; A717-A721 PolarHBondContact O-N 2.67Å
718	T	37.5	Very low	39.8	Very low	79 Å²	79	92.8 Å²	92.8	49%	0.485	55%	0.55	S	S	.	.	H	α-helix	trans	-66.9	-45.9	177.7	-51.2	0	0	0	0	111.2	V714 Q716 L720 A721 D722	V714-T718 PolarHBondContact O-N 2.66Å; V714-T718 PolarHBondContact O-OG1 3.21Å; Q716-T718 VanDerWaalsContact C-N 3.32Å; Q716-T718 PolarHBondContact O-N 2.82Å; T718-L720 PolarHBondContact O-N 3.3Å; T718-A721 PolarHBondContact O-N 2.98Å; T718-A721 VanDerWaalsContact O-N 3.15Å; T718-D722 PolarHBondContact O-N 2.76Å
719	G	40.8	Very low	39.6	Very low	40 Å²	40	94.2 Å²	94.2	41%	0.412	54%	0.544	S	S	.	.	H	α-helix	trans	-68	-14.4	175.6	0	0	0	0	0	114.7	Q715 Q716	Q715-G719 PolarHBondContact O-N 2.99Å; Q716-G719 PolarHBondContact O-N 3.29Å
720	L	39.6	Very low	39.4	Very low	94 Å²	94	93.3 Å²	93.3	49%	0.492	54%	0.538	S	S	.	.	H	α-helix	trans	-84.7	-41.6	169.7	-152.3	72.9	0	0	0	111	Q716 A717 T718 D722 K723 H724	Q716-L720 PolarHBondContact O-N 3.06Å; A717-L720 PolarHBondContact O-N 3.41Å; T718-L720 PolarHBondContact O-N 3.3Å; L720-D722 PolarHBondContact O-N 2.84Å; L720-K723 WeakPolarHBondContact O-CA 3.23Å; L720-K723 WeakPolarHBondContact O-CB 3.32Å; L720-K723 PolarHBondContact O-N 2.95Å; L720-K723 VanDerWaalsContact O-N 3.07Å; L720-H724 PolarHBondContact O-CD2 3.37Å; L720-H724 PolarHBondContact O-N 3.15Å
721	A	37.6	Very low	39.2	Very low	56 Å²	56	91.6 Å²	91.6	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-58.8	-42.2	177.6	0	0	0	0	0	113	A717 T718 K723 H724 K725	A717-A721 PolarHBondContact O-N 2.67Å; T718-A721 PolarHBondContact O-N 2.98Å; T718-A721 VanDerWaalsContact O-N 3.15Å; A721-K723 VanDerWaalsContact C-N 3.27Å; A721-K723 PolarHBondContact O-N 3.09Å; A721-H724 PolarHBondContact O-N 3.44Å; A721-K725 PolarHBondContact O-N 2.03Å
722	D	40.4	Very low	39.1	Very low	103 Å²	103	93.5 Å²	93.5	55%	0.551	53%	0.532	S	S	*	.	H	α-helix	trans	-63.4	-32.4	175.5	-73.6	-37.5	0	0	0	112.6	T718 L720 T726	T718-D722 PolarHBondContact O-N 2.76Å; L720-D722 PolarHBondContact O-N 2.84Å; D722-T726 PolarHBondContact O-N 2.79Å; D722-T726 VanDerWaalsContact O-N 3.09Å; D722-T726 PolarHBondContact O-OG1 2.79Å
723	K	42.3	Very low	39.2	Very low	147 Å²	147	96.1 Å²	96.1	64%	0.639	54%	0.537	S	S	*	.	H	α-helix	trans	-72.1	-43	173	-71.5	179	176.8	-179.7	0	112	L720 A721 K725 T726 A727	L720-K723 WeakPolarHBondContact O-CA 3.23Å; L720-K723 WeakPolarHBondContact O-CB 3.32Å; L720-K723 PolarHBondContact O-N 2.95Å; L720-K723 VanDerWaalsContact O-N 3.07Å; A721-K723 VanDerWaalsContact C-N 3.27Å; A721-K723 PolarHBondContact O-N 3.09Å; K723-K725 VanDerWaalsContact C-N 3.28Å; K723-K725 PolarHBondContact O-N 3.15Å; K723-T726 PolarHBondContact O-N 3.3Å; K723-A727 WeakPolarHBondContact O-CB 3.45Å; K723-A727 PolarHBondContact O-N 3.23Å
724	H	37.4	Very low	39	Very low	122 Å²	122	95.2 Å²	95.2	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-60.9	-38.3	174.7	-76.8	-71	0	0	0	111.8	L720 A721 A727 A728	L720-H724 PolarHBondContact O-CD2 3.37Å; L720-H724 PolarHBondContact O-N 3.15Å; A721-H724 PolarHBondContact O-N 3.44Å; H724-A727 PolarHBondContact O-N 3.29Å; H724-A728 WeakPolarHBondContact O-CB 3.29Å; H724-A728 PolarHBondContact O-N 3.43Å
725	K	38.4	Very low	38.8	Very low	132 Å²	132	93.7 Å²	93.7	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-61.4	-51.7	172.3	-176.9	177	177.7	-179.1	0	111.9	A721 K723 A727 A728 D729	A721-K725 PolarHBondContact O-N 2.03Å; K723-K725 VanDerWaalsContact C-N 3.28Å; K723-K725 PolarHBondContact O-N 3.15Å; K725-A727 PolarHBondContact O-N 3.43Å; K725-A728 WeakPolarHBondContact O-CB 3.3Å; K725-A728 PolarHBondContact O-N 2.85Å; K725-D729 VanDerWaalsContact O-CG 3.24Å; K725-D729 PolarHBondContact O-N 2.9Å
726	T	40.5	Very low	38.7	Very low	99 Å²	99	91 Å²	91	61%	0.607	52%	0.522	S	S	*	.	H	α-helix	trans	-60	-32.7	178.6	-48.5	0	0	0	0	112.1	D722 K723 S730	D722-T726 PolarHBondContact O-N 2.79Å; D722-T726 VanDerWaalsContact O-N 3.09Å; D722-T726 PolarHBondContact O-OG1 2.79Å; K723-T726 PolarHBondContact O-N 3.3Å; T726-S730 PolarHBondContact O-N 2.83Å
727	A	38.8	Very low	38.5	Very low	52 Å²	52	88.8 Å²	88.8	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-73.7	-39.3	173.1	0	0	0	0	0	112.7	K723 H724 K725 S730 V731	K723-A727 WeakPolarHBondContact O-CB 3.45Å; K723-A727 PolarHBondContact O-N 3.23Å; H724-A727 PolarHBondContact O-N 3.29Å; K725-A727 PolarHBondContact O-N 3.43Å; A727-S730 WeakPolarHBondContact O-CB 2.97Å; A727-S730 PolarHBondContact O-N 2.04Å; A727-V731 WeakPolarHBondContact O-CG2 3.4Å; A727-V731 PolarHBondContact O-N 3.41Å
728	A	36.9	Very low	38.4	Very low	56 Å²	56	88.7 Å²	88.7	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-44.2	176.3	0	0	0	0	0	111.9	H724 K725 S730 V731 E732	H724-A728 WeakPolarHBondContact O-CB 3.29Å; H724-A728 PolarHBondContact O-N 3.43Å; K725-A728 WeakPolarHBondContact O-CB 3.3Å; K725-A728 PolarHBondContact O-N 2.85Å; A728-S730 PolarHBondContact O-N 2.8Å; A728-V731 PolarHBondContact O-N 2.59Å; A728-E732 PolarHBondContact O-N 2.99Å
729	D	38.8	Very low	38.4	Very low	88 Å²	88	89.3 Å²	89.3	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-58.6	-37.7	174.9	-59	-18.6	0	0	0	110.7	K725 Q733	K725-D729 VanDerWaalsContact O-CG 3.24Å; K725-D729 PolarHBondContact O-N 2.9Å; D729-Q733 PolarHBondContact O-N 2.94Å
730	S	38.1	Very low	38.3	Very low	67 Å²	67	90.4 Å²	90.4	47%	0.469	51%	0.512	S	S	.	.	H	α-helix	trans	-72.1	-34.9	174.1	-172.3	0	0	0	0	113.4	T726 A727 A728 Q733 T734	T726-S730 PolarHBondContact O-N 2.83Å; A727-S730 WeakPolarHBondContact O-CB 2.97Å; A727-S730 PolarHBondContact O-N 2.04Å; A728-S730 PolarHBondContact O-N 2.8Å; S730-Q733 PolarHBondContact O-N 2.89Å; S730-T734 PolarHBondContact O-N 2.92Å; S730-T734 PolarHBondContact O-OG1 3.38Å
731	V	35.5	Very low	38.2	Very low	99 Å²	99	90.4 Å²	90.4	60%	0.6	51%	0.513	S	S	*	.	H	α-helix	trans	-69.9	-38.9	176.2	165.7	0	0	0	0	110.7	A727 A728 Q733 T734 A735	A727-V731 WeakPolarHBondContact O-CG2 3.4Å; A727-V731 PolarHBondContact O-N 3.41Å; A728-V731 PolarHBondContact O-N 2.59Å; V731-Q733 VanDerWaalsContact C-N 3.35Å; V731-Q733 PolarHBondContact O-N 3.31Å; V731-T734 PolarHBondContact O-N 3.06Å; V731-A735 WeakPolarHBondContact O-CB 3.25Å; V731-A735 PolarHBondContact O-N 3.06Å
732	E	37.3	Very low	38	Very low	130 Å²	130	91.3 Å²	91.3	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-60.5	-44	173.5	-175.8	174.6	-171.1	0	0	111.1	A728 N736	A728-E732 PolarHBondContact O-N 2.99Å; E732-N736 PolarHBondContact O-N 3.19Å; E732-N736 VanDerWaalsContact O-N 3.16Å; E732-N736 PolarHBondContact O-ND2 2.89Å
733	Q	39.6	Very low	37.8	Very low	118 Å²	118	92.8 Å²	92.8	55%	0.551	52%	0.517	S	S	*	.	H	α-helix	trans	-61.7	-53.8	175.2	-175.8	177.2	-19.6	0	0	111.8	D729 S730 V731 A735 N736 E737	D729-Q733 PolarHBondContact O-N 2.94Å; S730-Q733 PolarHBondContact O-N 2.89Å; V731-Q733 VanDerWaalsContact C-N 3.35Å; V731-Q733 PolarHBondContact O-N 3.31Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 3.38Å; Q733-N736 PolarHBondContact O-N 3.4Å; Q733-E737 WeakPolarHBondContact CG-OE1 3.33Å; Q733-E737 PolarHBondContact NE2-OE1 2.95Å; Q733-E737 WeakPolarHBondContact O-CG 3.5Å; Q733-E737 PolarHBondContact O-N 2.97Å
734	T	36.6	Very low	37.5	Very low	79 Å²	79	92.2 Å²	92.2	49%	0.485	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-28.7	-177.4	-60	0	0	0	0	113	S730 V731 A738	S730-T734 PolarHBondContact O-N 2.92Å; S730-T734 PolarHBondContact O-OG1 3.38Å; V731-T734 PolarHBondContact O-N 3.06Å; T734-A738 VanDerWaalsContact O-CB 3.31Å; T734-A738 WeakPolarHBondContact O-CB 3.47Å; T734-A738 PolarHBondContact O-N 2.75Å
735	A	36.4	Very low	37.4	Very low	55 Å²	55	89.6 Å²	89.6	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-69	-40.3	173.5	0	0	0	0	0	112.2	V731 Q733 A738 L739	V731-A735 WeakPolarHBondContact O-CB 3.25Å; V731-A735 PolarHBondContact O-N 3.06Å; Q733-A735 VanDerWaalsContact C-N 3.31Å; Q733-A735 PolarHBondContact O-N 3.38Å; A735-A738 PolarHBondContact O-N 3.08Å; A735-L739 VanDerWaalsContact O-CB 3.32Å; A735-L739 WeakPolarHBondContact O-CB 3.37Å; A735-L739 PolarHBondContact O-N 2.83Å
736	N	39.2	Very low	37.2	Very low	97 Å²	97	88.2 Å²	88.2	52%	0.519	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-36.8	174.8	-80.6	-72.9	0	0	0	112.1	E732 Q733 S740	E732-N736 PolarHBondContact O-N 3.19Å; E732-N736 VanDerWaalsContact O-N 3.16Å; E732-N736 PolarHBondContact O-ND2 2.89Å; Q733-N736 PolarHBondContact O-N 3.4Å; N736-S740 PolarHBondContact O-N 3.43Å
737	E	38.7	Very low	37	Very low	94 Å²	94	88.1 Å²	88.1	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-49.2	172.6	-69.8	165.9	179.2	0	0	110.8	Q733 L739 S740 D741	Q733-E737 WeakPolarHBondContact CG-OE1 3.33Å; Q733-E737 PolarHBondContact NE2-OE1 2.95Å; Q733-E737 WeakPolarHBondContact O-CG 3.5Å; Q733-E737 PolarHBondContact O-N 2.97Å; E737-L739 VanDerWaalsContact C-N 3.31Å; E737-L739 PolarHBondContact O-N 3.19Å; E737-S740 VanDerWaalsContact O-CB 3.29Å; E737-S740 WeakPolarHBondContact O-CB 3.45Å; E737-S740 PolarHBondContact O-N 3.15Å; E737-D741 PolarHBondContact O-N 3.17Å; E737-D741 VanDerWaalsContact O-N 3.17Å
738	A	36.3	Very low	36.8	Very low	56 Å²	56	89.4 Å²	89.4	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-62.2	-33.5	177.5	0	0	0	0	0	113.8	T734 A735 S740 D741 S742	T734-A738 VanDerWaalsContact O-CB 3.31Å; T734-A738 WeakPolarHBondContact O-CB 3.47Å; T734-A738 PolarHBondContact O-N 2.75Å; A735-A738 PolarHBondContact O-N 3.08Å; A738-S740 VanDerWaalsContact C-N 3.29Å; A738-S740 PolarHBondContact O-N 3.22Å; A738-D741 PolarHBondContact O-N 3.5Å; A738-S742 WeakPolarHBondContact O-CB 3.26Å; A738-S742 PolarHBondContact O-N 3.49Å
739	L	37.2	Very low	36.7	Very low	91 Å²	91	90.9 Å²	90.9	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-68.7	-27	175.2	-175.7	62.4	0	0	0	112.6	A735 E737 K743	A735-L739 VanDerWaalsContact O-CB 3.32Å; A735-L739 WeakPolarHBondContact O-CB 3.37Å; A735-L739 PolarHBondContact O-N 2.83Å; E737-L739 VanDerWaalsContact C-N 3.31Å; E737-L739 PolarHBondContact O-N 3.19Å; L739-K743 WeakPolarHBondContact O-CD 3.36Å; L739-K743 WeakPolarHBondContact O-CG 3.12Å
740	S	38.3	Very low	36.6	Very low	63 Å²	63	94.4 Å²	94.4	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-71.3	-49.1	171.2	-178.6	0	0	0	0	111	N736 E737 A738 S742 K743 Q744	N736-S740 PolarHBondContact O-N 3.43Å; E737-S740 VanDerWaalsContact O-CB 3.29Å; E737-S740 WeakPolarHBondContact O-CB 3.45Å; E737-S740 PolarHBondContact O-N 3.15Å; A738-S740 VanDerWaalsContact C-N 3.29Å; A738-S740 PolarHBondContact O-N 3.22Å; S740-S742 VanDerWaalsContact C-N 3.33Å; S740-S742 PolarHBondContact O-N 3.1Å; S740-K743 PolarHBondContact O-N 3.03Å; S740-K743 VanDerWaalsContact O-N 3.14Å; S740-Q744 PolarHBondContact O-N 3.28Å; S740-Q744 VanDerWaalsContact O-N 3.11Å
741	D	37.2	Very low	36.5	Very low	95 Å²	95	93.2 Å²	93.2	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-67.3	-33.9	-176.8	-67	-2.5	0	0	0	112.4	E737 A738 K743 Q744 S745	E737-D741 PolarHBondContact O-N 3.17Å; E737-D741 VanDerWaalsContact O-N 3.17Å; A738-D741 PolarHBondContact O-N 3.5Å; D741-K743 VanDerWaalsContact C-N 3.35Å; D741-Q744 PolarHBondContact O-N 3.43Å; D741-S745 WeakPolarHBondContact O-CB 2.97Å; D741-S745 PolarHBondContact O-N 3.47Å; D741-S745 PolarHBondContact O-OG 3.06Å
742	S	33.8	Very low	36.3	Very low	74 Å²	74	89.2 Å²	89.2	52%	0.517	48%	0.481	S	S	.	.	H	α-helix	trans	-61.4	-42.1	172.2	-172.4	0	0	0	0	112	A738 S740 Q744 S745 L746	A738-S742 WeakPolarHBondContact O-CB 3.26Å; A738-S742 PolarHBondContact O-N 3.49Å; S740-S742 VanDerWaalsContact C-N 3.33Å; S740-S742 PolarHBondContact O-N 3.1Å; S742-Q744 PolarHBondContact O-N 2.87Å; S742-S745 WeakPolarHBondContact O-CB 3.45Å; S742-S745 PolarHBondContact O-N 3.14Å; S742-S745 VanDerWaalsContact O-N 3.13Å; S742-L746 PolarHBondContact O-N 2.99Å
743	K	36.6	Very low	36.1	Very low	135 Å²	135	89.5 Å²	89.5	59%	0.587	48%	0.483	S	S	*	.	H	α-helix	trans	-69.1	-33.1	178	-73.2	170.2	-177.3	169.8	0	112.6	L739 S740 D741 D747	L739-K743 WeakPolarHBondContact O-CD 3.36Å; L739-K743 WeakPolarHBondContact O-CG 3.12Å; S740-K743 PolarHBondContact O-N 3.03Å; S740-K743 VanDerWaalsContact O-N 3.14Å; D741-K743 VanDerWaalsContact C-N 3.35Å; K743-D747 PolarHBondContact O-N 3.04Å
744	Q	36.5	Very low	36.1	Very low	134 Å²	134	88.3 Å²	88.3	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-69.3	-35.4	169.2	-70.3	-168.1	-28.8	0	0	112.3	S740 D741 S742 D747 L748	S740-Q744 PolarHBondContact O-N 3.28Å; S740-Q744 VanDerWaalsContact O-N 3.11Å; D741-Q744 PolarHBondContact O-N 3.43Å; S742-Q744 PolarHBondContact O-N 2.87Å; Q744-D747 PolarHBondContact O-N 3.49Å; Q744-L748 PolarHBondContact O-N 3.17Å
745	S	34.8	Very low	36.1	Very low	67 Å²	67	89.6 Å²	89.6	47%	0.469	48%	0.48	S	S	.	.	H	α-helix	trans	-66.7	-40	178.4	-59.4	0	0	0	0	112.4	D741 S742 D747 L748 V749	D741-S745 WeakPolarHBondContact O-CB 2.97Å; D741-S745 PolarHBondContact O-N 3.47Å; D741-S745 PolarHBondContact O-OG 3.06Å; S742-S745 WeakPolarHBondContact O-CB 3.45Å; S742-S745 PolarHBondContact O-N 3.14Å; S742-S745 VanDerWaalsContact O-N 3.13Å; S745-D747 PolarHBondContact O-N 3.01Å; S745-L748 WeakPolarHBondContact O-CA 3.17Å; S745-L748 VanDerWaalsContact O-CB 3.31Å; S745-L748 WeakPolarHBondContact O-CB 3.34Å; S745-L748 PolarHBondContact O-N 3.37Å; S745-L748 VanDerWaalsContact O-N 3.07Å; S745-V749 PolarHBondContact O-N 3.3Å; S745-V749 VanDerWaalsContact O-N 3.14Å
746	L	35.1	Very low	36.3	Very low	103 Å²	103	94 Å²	94	54%	0.539	49%	0.491	S	S	.	.	H	α-helix	trans	-60.4	-42.6	175.5	-173	68.1	0	0	0	112.2	S742 L748 V749	S742-L746 PolarHBondContact O-N 2.99Å; L746-L748 VanDerWaalsContact C-N 3.26Å; L746-L748 PolarHBondContact O-N 3.15Å; L746-V749 PolarHBondContact O-N 3.15Å
747	D	35.7	Very low	36.3	Very low	98 Å²	98	97.4 Å²	97.4	52%	0.524	51%	0.509	S	S	.	.	H	α-helix	trans	-70.1	-25.8	175.1	-154.4	57.9	0	0	0	112.1	K743 Q744 S745 R923	K743-D747 PolarHBondContact O-N 3.04Å; Q744-D747 PolarHBondContact O-N 3.49Å; S745-D747 PolarHBondContact O-N 3.01Å; D747-R923 PolarHBondContact O-NH1 3.1Å
748	L	33.4	Very low	36.3	Very low	78 Å²	78	99.3 Å²	99.3	41%	0.408	52%	0.516	S	S	.	.	H	α-helix	trans	-70.2	-30.1	173.7	-134.8	79.5	0	0	0	113.3	Q744 S745 L746 R923	Q744-L748 PolarHBondContact O-N 3.17Å; S745-L748 WeakPolarHBondContact O-CA 3.17Å; S745-L748 VanDerWaalsContact O-CB 3.31Å; S745-L748 WeakPolarHBondContact O-CB 3.34Å; S745-L748 PolarHBondContact O-N 3.37Å; S745-L748 VanDerWaalsContact O-N 3.07Å; L746-L748 VanDerWaalsContact C-N 3.26Å; L746-L748 PolarHBondContact O-N 3.15Å; L748-R923 WeakPolarHBondContact O-CD 3.5Å; L748-R923 PolarHBondContact O-NH1 2.91Å
749	V	34.8	Very low	36.5	Very low	87 Å²	87	99 Å²	99	53%	0.527	51%	0.508	S	S	.	.	H	α-helix	trans	-72.7	-29.7	-179.9	170.8	0	0	0	0	113.1	S745 L746 L752	S745-V749 PolarHBondContact O-N 3.3Å; S745-V749 VanDerWaalsContact O-N 3.14Å; L746-V749 PolarHBondContact O-N 3.15Å; V749-L752 WeakPolarHBondContact O-CB 3.3Å
750	R	37.2	Very low	36.6	Very low	162 Å²	162	103.9 Å²	103.9	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-41.4	-172.1	-75.4	-179.7	166.9	143.2	-1	115.1	L752	R750-L752 VanDerWaalsContact C-N 3.25Å; R750-L752 PolarHBondContact O-N 2.92Å; R750-L752 VanDerWaalsContact O-N 3.1Å
751	T	35.3	Very low	36.7	Very low	42 Å²	42	106.9 Å²	106.9	26%	0.258	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	50.9	-175.4	-33.2	0	0	0	0	112.2	E919 R923	T751-E919 HydrophobicContact CG2-CG 3.89Å; T751-R923 VanDerWaalsContact OG1-CZ 3.23Å; T751-R923 PolarHBondContact OG1-NH1 3.44Å; T751-R923 VanDerWaalsContact OG1-NH1 3.17Å; T751-R923 PolarHBondContact OG1-NH2 3.11Å; T751-R923 VanDerWaalsContact OG1-NH2 3.15Å
752	L	32	Very low	36.7	Very low	16 Å²	16	105.4 Å²	105.4	8%	0.084	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140	-7.6	-163.1	-135.8	163.2	0	0	0	114.2	V749 R750 N754 A920 R923 L924 I927	V749-L752 WeakPolarHBondContact O-CB 3.3Å; R750-L752 VanDerWaalsContact C-N 3.25Å; R750-L752 PolarHBondContact O-N 2.92Å; R750-L752 VanDerWaalsContact O-N 3.1Å; L752-N754 PolarHBondContact O-N 3.36Å; L752-A920 CarbonylContact C-O 3.53Å; L752-A920 VanDerWaalsContact CA-O 3.28Å; L752-A920 WeakPolarHBondContact CA-O 3.14Å; L752-R923 HydrophobicContact CD1-CB 3.77Å; L752-R923 HydrophobicContact CG-CB 3.75Å; L752-R923 HydrophobicContact CG-CG 4.41Å; L752-L924 HydrophobicContact CD2-CB 4.39Å; L752-L924 HydrophobicContact CD2-CD2 3.65Å; L752-L924 HydrophobicContact CD2-CG 3.84Å; L752-I927 HydrophobicContact CD1-CD1 3.74Å; L752-I927 HydrophobicContact CD1-CG1 3.93Å; L752-I927 HydrophobicContact CD2-CD1 3.49Å; L752-I927 VanDerWaalsContact CD2-CD1 3.49Å; L752-I927 HydrophobicContact CD2-CG1 4.41Å; L752-I927 HydrophobicContact CG-CD1 4.22Å
753	M	32.9	Very low	37	Very low	135 Å²	135	105.8 Å²	105.8	67%	0.665	52%	0.52	S	S	*	.			trans	-99.8	84.1	-175.1	-63.7	175	68.6	0	0	111.3	A920	M753-A920 PolarHBondContact N-O 3.14Å; M753-A920 WeakPolarHBondContact O-CB 3.44Å
754	N	39.6	Very low	37.5	Very low	94 Å²	94	100.9 Å²	100.9	50%	0.503	51%	0.507	S	S	.	.				165.1	130.3	121.7	-83.7	-33.9	0	0	0	115.1	L752	L752-N754 PolarHBondContact O-N 3.36Å
755	K	36.7	Very low	37.9	Very low	106 Å²	106	98.9 Å²	98.9	46%	0.461	50%	0.501	S	S	.	.			trans	162.9	122	138.2	-92.9	172	-168.4	168.3	0	109	A917 D918 I921	K755-A917 WeakPolarHBondContact CE-O 3.27Å; K755-A917 PolarHBondContact NZ-O 2.95Å; K755-A917 VanDerWaalsContact NZ-O 3.09Å; K755-D918 IonicContact NZ-OD1 2.73Å; K755-D918 PolarHBondContact NZ-OD1 3Å; K755-I921 HydrophobicContact CD-CD1 3.67Å; K755-I921 HydrophobicContact CD-CG1 4.01Å
756	E	41.1	Very low	38.2	Very low	147 Å²	147	100.8 Å²	100.8	69%	0.687	51%	0.505	S	S	*	.	S	Bend	cis	-153.4	-56.5	-19.6	-158.7	172.5	160.9	0	0	109.2	K758 V759	E756-K758 PolarHBondContact O-N 2.98Å; E756-K758 VanDerWaalsContact O-N 3.13Å; E756-V759 WeakPolarHBondContact O-CB 3.14Å; E756-V759 WeakPolarHBondContact O-CG2 3.41Å; E756-V759 PolarHBondContact O-N 2.79Å; E756-V759 VanDerWaalsContact O-N 3.1Å
757	N	39.4	Very low	38.7	Very low	168 Å²	168	100.6 Å²	100.6	90%	0.898	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.1	179.7	-82.7	-12.3	0	0	0	115.8
758	K	38.7	Very low	39.4	Very low	135 Å²	135	101.7 Å²	101.7	59%	0.587	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.1	173.4	-134.3	-174.2	177.2	-171.6	0	113.4	E756 E761 L762	E756-K758 PolarHBondContact O-N 2.98Å; E756-K758 VanDerWaalsContact O-N 3.13Å; K758-E761 PolarHBondContact O-N 3.16Å; K758-L762 HydrophobicContact CB-CD1 4.31Å; K758-L762 HydrophobicContact CD-CD1 3.66Å; K758-L762 HydrophobicContact CG-CD1 3.71Å; K758-L762 WeakPolarHBondContact O-CB 3.01Å; K758-L762 PolarHBondContact O-N 2.93Å
759	V	39.5	Very low	39.9	Very low	49 Å²	49	102 Å²	102	30%	0.297	51%	0.51	S	S	.	.	H	α-helix	trans	-69.2	-39	-172.6	177	0	0	0	0	111.7	E756 E761 I763	E756-V759 WeakPolarHBondContact O-CB 3.14Å; E756-V759 WeakPolarHBondContact O-CG2 3.41Å; E756-V759 PolarHBondContact O-N 2.79Å; E756-V759 VanDerWaalsContact O-N 3.1Å; V759-E761 VanDerWaalsContact C-N 3.35Å; V759-I763 HydrophobicContact CG1-CD1 3.71Å; V759-I763 HydrophobicContact CG1-CG1 4.31Å; V759-I763 WeakPolarHBondContact O-CB 3.25Å; V759-I763 VanDerWaalsContact O-CG1 3.23Å; V759-I763 WeakPolarHBondContact O-CG1 3.43Å; V759-I763 PolarHBondContact O-N 3.13Å
760	K	39.2	Very low	40.3	Very low	194 Å²	194	101.3 Å²	101.3	84%	0.843	50%	0.498	S	S	*	.	H	α-helix	trans	-73.4	-28.1	-179	-153.7	175.6	-172.8	-178.7	0	113.4
761	E	40.2	Very low	40.8	Very low	125 Å²	125	98 Å²	98	58%	0.584	49%	0.492	S	S	*	.	H	α-helix	trans	-77.5	-48.7	173.8	-156.5	170.5	-130.5	0	0	109.6	K758 V759 I763 G764 D765	K758-E761 PolarHBondContact O-N 3.16Å; V759-E761 VanDerWaalsContact C-N 3.35Å; E761-I763 VanDerWaalsContact C-N 3.34Å; E761-I763 PolarHBondContact O-N 3.44Å; E761-G764 PolarHBondContact O-N 3.14Å; E761-G764 VanDerWaalsContact O-N 3.13Å; E761-D765 PolarHBondContact O-N 3.3Å
762	L	38.1	Very low	41.6	Very low	65 Å²	65	102.5 Å²	102.5	34%	0.34	51%	0.508	S	S	.	.	H	α-helix	trans	-65.1	-28.6	176	-100.2	78	0	0	0	114.5	K758 L766	K758-L762 HydrophobicContact CB-CD1 4.31Å; K758-L762 HydrophobicContact CD-CD1 3.66Å; K758-L762 HydrophobicContact CG-CD1 3.71Å; K758-L762 WeakPolarHBondContact O-CB 3.01Å; K758-L762 PolarHBondContact O-N 2.93Å; L762-L766 VanDerWaalsContact O-CB 3.23Å; L762-L766 WeakPolarHBondContact O-CB 3.32Å; L762-L766 VanDerWaalsContact O-CD1 3.26Å; L762-L766 WeakPolarHBondContact O-CD1 3.49Å; L762-L766 PolarHBondContact O-N 2.7Å
763	I	40.7	Very low	42.1	Very low	81 Å²	81	105 Å²	105	42%	0.415	52%	0.524	S	S	.	.	H	α-helix	trans	-67.2	-42.3	173	-75.1	168.6	0	0	0	109.7	V759 E761 L766 Q767	V759-I763 HydrophobicContact CG1-CD1 3.71Å; V759-I763 HydrophobicContact CG1-CG1 4.31Å; V759-I763 WeakPolarHBondContact O-CB 3.25Å; V759-I763 VanDerWaalsContact O-CG1 3.23Å; V759-I763 WeakPolarHBondContact O-CG1 3.43Å; V759-I763 PolarHBondContact O-N 3.13Å; E761-I763 VanDerWaalsContact C-N 3.34Å; E761-I763 PolarHBondContact O-N 3.44Å; I763-L766 PolarHBondContact O-N 2.78Å; I763-Q767 WeakPolarHBondContact O-CB 3.39Å; I763-Q767 PolarHBondContact O-N 2.71Å
764	G	46.8	Very low	42.7	Very low	32 Å²	32	99.3 Å²	99.3	33%	0.33	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-50.8	171.5	0	0	0	0	0	112	E761 L766 Q767 D768	E761-G764 PolarHBondContact O-N 3.14Å; E761-G764 VanDerWaalsContact O-N 3.13Å; G764-L766 VanDerWaalsContact C-N 3.33Å; G764-L766 PolarHBondContact O-N 2.81Å; G764-Q767 PolarHBondContact O-N 3Å; G764-Q767 VanDerWaalsContact O-N 3.1Å; G764-D768 PolarHBondContact O-N 2.98Å
765	D	44.4	Very low	43.3	Very low	92 Å²	92	97.5 Å²	97.5	49%	0.492	50%	0.496	S	S	.	.	H	α-helix	trans	-61.5	-37.5	178.3	-66.4	-29.1	0	0	0	112.6	E761 L769	E761-D765 PolarHBondContact O-N 3.3Å; D765-L769 WeakPolarHBondContact O-CB 3.43Å; D765-L769 PolarHBondContact O-N 2.7Å
766	L	41.1	Very low	43.8	Very low	107 Å²	107	96.6 Å²	96.6	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-71.3	-33.7	174.3	-100.9	75	0	0	0	111.8	L762 I763 G764 Y770	L762-L766 VanDerWaalsContact O-CB 3.23Å; L762-L766 WeakPolarHBondContact O-CB 3.32Å; L762-L766 VanDerWaalsContact O-CD1 3.26Å; L762-L766 WeakPolarHBondContact O-CD1 3.49Å; L762-L766 PolarHBondContact O-N 2.7Å; I763-L766 PolarHBondContact O-N 2.78Å; G764-L766 VanDerWaalsContact C-N 3.33Å; G764-L766 PolarHBondContact O-N 2.81Å; L766-Y770 WeakPolarHBondContact O-CA 3.42Å; L766-Y770 WeakPolarHBondContact O-CB 3.26Å; L766-Y770 PolarHBondContact O-N 3.38Å
767	Q	45.8	Very low	44	Very low	100 Å²	100	92 Å²	92	47%	0.467	48%	0.478	S	S	.	.	H	α-helix	trans	-73.5	-45.2	180	-167.4	161.2	9.2	0	0	110.4	I763 G764 L769 Y770 D771	I763-Q767 WeakPolarHBondContact O-CB 3.39Å; I763-Q767 PolarHBondContact O-N 2.71Å; G764-Q767 PolarHBondContact O-N 3Å; G764-Q767 VanDerWaalsContact O-N 3.1Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; Q767-L769 PolarHBondContact O-N 2.9Å; Q767-Y770 PolarHBondContact O-N 2.68Å; Q767-D771 WeakPolarHBondContact O-CB 3.45Å; Q767-D771 PolarHBondContact O-N 2.78Å
768	D	49.6	Very low	44.5	Very low	120 Å²	120	88.7 Å²	88.7	64%	0.642	46%	0.455	S	S	*	.	H	α-helix	trans	-59.7	-40.2	169.4	-82.8	-3.3	0	0	0	111.9	G764 K772	G764-D768 PolarHBondContact O-N 2.98Å; D768-K772 WeakPolarHBondContact O-CB 3.17Å; D768-K772 PolarHBondContact O-N 2.98Å
769	L	44.4	Very low	45.1	Very low	86 Å²	86	85.3 Å²	85.3	45%	0.45	45%	0.449	S	S	.	.	H	α-helix	trans	-72.5	-35.2	177.5	-174.2	64.5	0	0	0	112.3	D765 Q767 T773	D765-L769 WeakPolarHBondContact O-CB 3.43Å; D765-L769 PolarHBondContact O-N 2.7Å; Q767-L769 VanDerWaalsContact C-N 3.32Å; Q767-L769 PolarHBondContact O-N 2.9Å; L769-T773 VanDerWaalsContact O-CB 3.24Å; L769-T773 WeakPolarHBondContact O-CB 3.06Å; L769-T773 PolarHBondContact O-N 3.21Å; L769-T773 PolarHBondContact O-OG1 2.99Å
770	Y	43.8	Very low	45.4	Very low	72 Å²	72	87 Å²	87	28%	0.282	46%	0.456	S	S	.	.	H	α-helix	trans	-67.4	-51.2	174.2	172.9	-95.8	0	0	0	110.3	L766 Q767 K772 T773 S774 A855 E856	L766-Y770 WeakPolarHBondContact O-CA 3.42Å; L766-Y770 WeakPolarHBondContact O-CB 3.26Å; L766-Y770 PolarHBondContact O-N 3.38Å; Q767-Y770 PolarHBondContact O-N 2.68Å; Y770-K772 VanDerWaalsContact C-N 3.28Å; Y770-K772 PolarHBondContact O-N 2.88Å; Y770-T773 CarbonylContact O-C 3.51Å; Y770-T773 PolarHBondContact O-N 3.3Å; Y770-T773 VanDerWaalsContact O-N 3.15Å; Y770-S774 WeakPolarHBondContact O-CB 3.04Å; Y770-S774 PolarHBondContact O-N 2.98Å; Y770-A855 HydrophobicContact CE2-CB 4.41Å; Y770-E856 WeakPolarHBondContact OH-CG 3.45Å
771	D	48.1	Very low	45.7	Very low	91 Å²	91	79.9 Å²	79.9	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-60.8	-40.3	179	-75.1	-18	0	0	0	111.1	Q767 A775	Q767-D771 WeakPolarHBondContact O-CB 3.45Å; Q767-D771 PolarHBondContact O-N 2.78Å; D771-A775 WeakPolarHBondContact O-CB 3.39Å; D771-A775 PolarHBondContact O-N 2.96Å
772	K	50.9	Low	46.3	Very low	138 Å²	138	82.1 Å²	82.1	60%	0.6	43%	0.433	S	S	*	.	H	α-helix	trans	-65.4	-45.6	173.4	-174.9	174.9	-177.9	177.3	0	112.9	D768 Y770 S774 A775 D776	D768-K772 WeakPolarHBondContact O-CB 3.17Å; D768-K772 PolarHBondContact O-N 2.98Å; Y770-K772 VanDerWaalsContact C-N 3.28Å; Y770-K772 PolarHBondContact O-N 2.88Å; K772-S774 VanDerWaalsContact C-N 3.33Å; K772-A775 PolarHBondContact O-N 2.99Å; K772-D776 PolarHBondContact O-N 3.34Å
773	T	42.8	Very low	46.9	Very low	68 Å²	68	84.3 Å²	84.3	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-68.9	-34.3	178.3	-53.8	0	0	0	0	111	L769 Y770 D776 V777	L769-T773 VanDerWaalsContact O-CB 3.24Å; L769-T773 WeakPolarHBondContact O-CB 3.06Å; L769-T773 PolarHBondContact O-N 3.21Å; L769-T773 PolarHBondContact O-OG1 2.99Å; Y770-T773 CarbonylContact O-C 3.51Å; Y770-T773 PolarHBondContact O-N 3.3Å; Y770-T773 VanDerWaalsContact O-N 3.15Å; T773-D776 PolarHBondContact O-N 2.68Å; T773-V777 HydrophobicContact CG2-CG2 4.44Å; T773-V777 WeakPolarHBondContact O-CB 3.45Å; T773-V777 VanDerWaalsContact O-CG2 3.25Å; T773-V777 WeakPolarHBondContact O-CG2 3.48Å; T773-V777 PolarHBondContact O-N 2.97Å
774	S	46.4	Very low	47.1	Very low	15 Å²	15	82 Å²	82	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-65.7	-38.8	173	-165.3	0	0	0	0	111	Y770 K772 K778	Y770-S774 WeakPolarHBondContact O-CB 3.04Å; Y770-S774 PolarHBondContact O-N 2.98Å; K772-S774 VanDerWaalsContact C-N 3.33Å; S774-K778 VanDerWaalsContact O-CB 3.27Å; S774-K778 WeakPolarHBondContact O-CB 3.41Å; S774-K778 WeakPolarHBondContact O-CD 3.38Å; S774-K778 VanDerWaalsContact O-CG 3.23Å; S774-K778 WeakPolarHBondContact O-CG 3.49Å; S774-K778 PolarHBondContact O-N 3.23Å; S774-K778 PolarHBondContact OG-NZ 2.91Å
775	A	50.9	Low	47.3	Very low	56 Å²	56	81.6 Å²	81.6	46%	0.463	43%	0.426	S	S	.	.	H	α-helix	trans	-67.1	-42.1	172.5	0	0	0	0	0	112.4	D771 K772 K778 S779	D771-A775 WeakPolarHBondContact O-CB 3.39Å; D771-A775 PolarHBondContact O-N 2.96Å; K772-A775 PolarHBondContact O-N 2.99Å; A775-K778 PolarHBondContact O-N 2.98Å; A775-S779 VanDerWaalsContact O-CB 3.32Å; A775-S779 WeakPolarHBondContact O-CB 3.23Å; A775-S779 PolarHBondContact O-N 3.43Å
776	D	47.8	Very low	47.5	Very low	88 Å²	88	80.1 Å²	80.1	47%	0.471	42%	0.423	S	S	.	.	H	α-helix	trans	-66.3	-39.7	175.4	-74.8	-25.6	0	0	0	111.7	K772 T773 S779 L780	K772-D776 PolarHBondContact O-N 3.34Å; T773-D776 PolarHBondContact O-N 2.68Å; D776-S779 WeakPolarHBondContact O-CB 3.48Å; D776-S779 PolarHBondContact O-N 3.1Å; D776-L780 WeakPolarHBondContact O-CG 3.49Å; D776-L780 PolarHBondContact O-N 2.81Å
777	V	46	Very low	47.9	Very low	50 Å²	50	80.8 Å²	80.8	30%	0.303	43%	0.427	S	S	.	.	H	α-helix	trans	-65	-48.9	173.1	167.5	0	0	0	0	110.9	T773 S779 L780 E781 V848	T773-V777 HydrophobicContact CG2-CG2 4.44Å; T773-V777 WeakPolarHBondContact O-CB 3.45Å; T773-V777 VanDerWaalsContact O-CG2 3.25Å; T773-V777 WeakPolarHBondContact O-CG2 3.48Å; T773-V777 PolarHBondContact O-N 2.97Å; V777-S779 PolarHBondContact O-N 3.48Å; V777-L780 CarbonylContact O-C 3.35Å; V777-L780 WeakPolarHBondContact O-CA 3.49Å; V777-L780 WeakPolarHBondContact O-CB 3.42Å; V777-L780 PolarHBondContact O-N 2.73Å; V777-E781 HydrophobicContact CG1-CG 4.17Å; V777-E781 WeakPolarHBondContact O-CG 3.46Å; V777-E781 PolarHBondContact O-N 3.38Å; V777-V848 HydrophobicContact CG1-CG1 3.78Å
778	K	49.2	Very low	47.9	Very low	98 Å²	98	76.3 Å²	76.3	43%	0.426	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-30.1	175.3	-75	162	-179.2	150.9	0	112.9	S774 A775 E781 K782	S774-K778 VanDerWaalsContact O-CB 3.27Å; S774-K778 WeakPolarHBondContact O-CB 3.41Å; S774-K778 WeakPolarHBondContact O-CD 3.38Å; S774-K778 VanDerWaalsContact O-CG 3.23Å; S774-K778 WeakPolarHBondContact O-CG 3.49Å; S774-K778 PolarHBondContact O-N 3.23Å; S774-K778 PolarHBondContact OG-NZ 2.91Å; A775-K778 PolarHBondContact O-N 2.98Å; K778-E781 WeakPolarHBondContact CA-OE2 3.35Å; K778-E781 WeakPolarHBondContact CG-OE2 3.42Å; K778-K782 WeakPolarHBondContact O-CB 3.4Å; K778-K782 PolarHBondContact O-N 2.8Å
779	S	51.2	Low	47.9	Very low	65 Å²	65	75.1 Å²	75.1	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-69.6	-39.4	171.2	-170.1	0	0	0	0	112.2	A775 D776 V777 R783	A775-S779 VanDerWaalsContact O-CB 3.32Å; A775-S779 WeakPolarHBondContact O-CB 3.23Å; A775-S779 PolarHBondContact O-N 3.43Å; D776-S779 WeakPolarHBondContact O-CB 3.48Å; D776-S779 PolarHBondContact O-N 3.1Å; V777-S779 PolarHBondContact O-N 3.48Å; S779-R783 VanDerWaalsContact O-CG 3.29Å; S779-R783 WeakPolarHBondContact O-CG 3.46Å; S779-R783 PolarHBondContact O-N 3.31Å; S779-R783 VanDerWaalsContact O-N 3.12Å
780	L	45.8	Very low	48.2	Very low	85 Å²	85	75 Å²	75	45%	0.445	40%	0.4	S	S	.	.	H	α-helix	trans	-70.5	-45	174.5	-76	164	0	0	0	112.6	D776 V777 K782 R783 A784 L945	D776-L780 WeakPolarHBondContact O-CG 3.49Å; D776-L780 PolarHBondContact O-N 2.81Å; V777-L780 CarbonylContact O-C 3.35Å; V777-L780 WeakPolarHBondContact O-CA 3.49Å; V777-L780 WeakPolarHBondContact O-CB 3.42Å; V777-L780 PolarHBondContact O-N 2.73Å; L780-K782 VanDerWaalsContact C-N 3.33Å; L780-K782 PolarHBondContact O-N 3.18Å; L780-R783 PolarHBondContact O-N 3.24Å; L780-A784 WeakPolarHBondContact O-CB 3.48Å; L780-A784 PolarHBondContact O-N 3.02Å; L780-L945 HydrophobicContact CD2-CD1 3.93Å
781	E	45.6	Very low	48.3	Very low	44 Å²	44	73.2 Å²	73.2	21%	0.206	40%	0.4	C	S	.	.	H	α-helix	trans	-54.5	-48.6	172.3	-71.1	170.6	161.3	0	0	110.7	V777 K778 R783 A784 G785 L845	V777-E781 HydrophobicContact CG1-CG 4.17Å; V777-E781 WeakPolarHBondContact O-CG 3.46Å; V777-E781 PolarHBondContact O-N 3.38Å; K778-E781 WeakPolarHBondContact CA-OE2 3.35Å; K778-E781 WeakPolarHBondContact CG-OE2 3.42Å; E781-R783 VanDerWaalsContact C-N 3.31Å; E781-R783 PolarHBondContact O-N 3.14Å; E781-A784 PolarHBondContact O-N 3.14Å; E781-G785 PolarHBondContact O-N 3.41Å; E781-L845 HydrophobicContact CB-CD2 4.22Å; E781-L845 HydrophobicContact CG-CD2 4.07Å
782	K	51.8	Low	48.4	Very low	171 Å²	171	71.4 Å²	71.4	74%	0.743	39%	0.387	S	S	*	.	H	α-helix	trans	-65.2	-32.4	179.4	-167.1	170.6	-174.7	175.7	0	112.9	K778 L780 S786	K778-K782 WeakPolarHBondContact O-CB 3.4Å; K778-K782 PolarHBondContact O-N 2.8Å; L780-K782 VanDerWaalsContact C-N 3.33Å; L780-K782 PolarHBondContact O-N 3.18Å; K782-S786 PolarHBondContact O-N 3.11Å; K782-S786 VanDerWaalsContact O-N 3.14Å
783	R	51.6	Low	48.4	Very low	111 Å²	111	70 Å²	70	42%	0.419	38%	0.383	S	S	.	.	H	α-helix	trans	-73.5	-41.2	172.2	-74	172.5	68	-170.1	1.5	112.3	S779 L780 E781 S786 L787	S779-R783 VanDerWaalsContact O-CG 3.29Å; S779-R783 WeakPolarHBondContact O-CG 3.46Å; S779-R783 PolarHBondContact O-N 3.31Å; S779-R783 VanDerWaalsContact O-N 3.12Å; L780-R783 PolarHBondContact O-N 3.24Å; E781-R783 VanDerWaalsContact C-N 3.31Å; E781-R783 PolarHBondContact O-N 3.14Å; R783-S786 PolarHBondContact O-N 3.39Å; R783-L787 WeakPolarHBondContact O-CD1 3.27Å; R783-L787 PolarHBondContact O-N 3.35Å
784	A	45.9	Very low	48.7	Very low	33 Å²	33	72.5 Å²	72.5	27%	0.273	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-39.9	177.6	0	0	0	0	0	111.7	L780 E781 L787 S788 V841 L845	L780-A784 WeakPolarHBondContact O-CB 3.48Å; L780-A784 PolarHBondContact O-N 3.02Å; E781-A784 PolarHBondContact O-N 3.14Å; A784-L787 PolarHBondContact O-N 3.09Å; A784-S788 VanDerWaalsContact O-CB 3.27Å; A784-S788 WeakPolarHBondContact O-CB 3.42Å; A784-S788 PolarHBondContact O-N 3.2Å; A784-V841 HydrophobicContact CB-CG1 4.44Å; A784-L845 HydrophobicContact CB-CD2 4.27Å
785	G	49.2	Very low	48.7	Very low	24 Å²	24	72.7 Å²	72.7	25%	0.247	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-46.5	171	0	0	0	0	0	112	E781 S788 D789	E781-G785 PolarHBondContact O-N 3.41Å; G785-S788 PolarHBondContact O-N 3.47Å; G785-D789 PolarHBondContact O-N 2.99Å
786	S	50.5	Low	48.8	Very low	60 Å²	60	77 Å²	77	42%	0.42	40%	0.399	S	S	.	.	H	α-helix	trans	-56	-53.8	172	-166.2	0	0	0	0	111.1	K782 R783 S788 D789 D790	K782-S786 PolarHBondContact O-N 3.11Å; K782-S786 VanDerWaalsContact O-N 3.14Å; R783-S786 PolarHBondContact O-N 3.39Å; S786-S788 VanDerWaalsContact C-N 3.27Å; S786-S788 PolarHBondContact O-N 3.09Å; S786-D789 PolarHBondContact O-N 3.34Å; S786-D789 VanDerWaalsContact O-N 3.08Å; S786-D790 WeakPolarHBondContact O-CB 3.34Å; S786-D790 VanDerWaalsContact O-CG 3.24Å; S786-D790 PolarHBondContact O-N 3.36Å; S786-D790 PolarHBondContact OG-OD2 3.23Å; S786-D790 VanDerWaalsContact OG-OD2 3.1Å
787	L	48.1	Very low	48.9	Very low	122 Å²	122	77.5 Å²	77.5	64%	0.639	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-34.9	178.4	-96.3	83.3	0	0	0	113	R783 A784 A791	R783-L787 WeakPolarHBondContact O-CD1 3.27Å; R783-L787 PolarHBondContact O-N 3.35Å; A784-L787 PolarHBondContact O-N 3.09Å; L787-A791 WeakPolarHBondContact O-CB 3.35Å; L787-A791 PolarHBondContact O-N 3.34Å
788	S	45.6	Very low	49	Very low	5 Å²	5	76.2 Å²	76.2	4%	0.035	39%	0.394	C	S	.	.	H	α-helix	trans	-67.3	-40.4	176	-174.2	0	0	0	0	110.8	A784 G785 S786 K792 D842	A784-S788 VanDerWaalsContact O-CB 3.27Å; A784-S788 WeakPolarHBondContact O-CB 3.42Å; A784-S788 PolarHBondContact O-N 3.2Å; G785-S788 PolarHBondContact O-N 3.47Å; S786-S788 VanDerWaalsContact C-N 3.27Å; S786-S788 PolarHBondContact O-N 3.09Å; S788-K792 WeakPolarHBondContact O-CB 3.48Å; S788-K792 VanDerWaalsContact O-CD 3.26Å; S788-K792 WeakPolarHBondContact O-CD 3.45Å; S788-K792 WeakPolarHBondContact O-CG 3.02Å; S788-K792 PolarHBondContact O-N 2.03Å; S788-K792 WeakPolarHBondContact OG-CE 3.42Å; S788-K792 PolarHBondContact OG-NZ 3.47Å; S788-D842 PolarHBondContact OG-OD1 3.49Å; S788-D842 VanDerWaalsContact OG-OD1 3.08Å
789	D	49.2	Very low	49	Very low	96 Å²	96	74 Å²	74	51%	0.513	39%	0.387	S	S	.	.	H	α-helix	trans	-77	-36.2	178.1	-73.1	-10.8	0	0	0	113.6	G785 S786 K792 Q793	G785-D789 PolarHBondContact O-N 2.99Å; S786-D789 PolarHBondContact O-N 3.34Å; S786-D789 VanDerWaalsContact O-N 3.08Å; D789-K792 PolarHBondContact O-N 3.46Å; D789-K792 WeakPolarHBondContact OD1-CD 3.34Å; D789-K792 IonicContact OD1-NZ 2.64Å; D789-K792 PolarHBondContact OD1-NZ 2.72Å; D789-Q793 WeakPolarHBondContact O-CB 3.33Å; D789-Q793 PolarHBondContact O-N 3.05Å
790	D	51.8	Low	48.9	Very low	83 Å²	83	73.7 Å²	73.7	44%	0.444	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-45.8	168.2	-67.8	-46.3	0	0	0	110.1	S786 K792 Q793 E794	S786-D790 WeakPolarHBondContact O-CB 3.34Å; S786-D790 VanDerWaalsContact O-CG 3.24Å; S786-D790 PolarHBondContact O-N 3.36Å; S786-D790 PolarHBondContact OG-OD2 3.23Å; S786-D790 VanDerWaalsContact OG-OD2 3.1Å; D790-K792 PolarHBondContact O-N 3.07Å; D790-Q793 WeakPolarHBondContact O-CA 3.48Å; D790-Q793 WeakPolarHBondContact O-CB 3.21Å; D790-Q793 PolarHBondContact O-N 2.82Å; D790-E794 PolarHBondContact O-N 3.12Å
791	A	46.3	Very low	49.1	Very low	34 Å²	34	75.4 Å²	75.4	28%	0.281	39%	0.392	S	S	.	.	H	α-helix	trans	-64.2	-39.1	174.1	0	0	0	0	0	112.9	L787 Q793 T795 M838	L787-A791 WeakPolarHBondContact O-CB 3.35Å; L787-A791 PolarHBondContact O-N 3.34Å; A791-Q793 PolarHBondContact O-N 3.11Å; A791-T795 VanDerWaalsContact O-CB 3.25Å; A791-T795 WeakPolarHBondContact O-CB 3.46Å; A791-T795 PolarHBondContact O-N 3.47Å; A791-T795 PolarHBondContact O-OG1 3.1Å; A791-M838 HydrophobicContact CB-CG 4.13Å; A791-M838 HydrophobicContact CB-SD 4.21Å
792	K	49.3	Very low	49.3	Very low	53 Å²	53	74.1 Å²	74.1	23%	0.23	39%	0.387	C	S	.	.	H	α-helix	trans	-62.4	-30.9	171.1	-73.6	155.1	-170.4	143.9	0	111.4	S788 D789 D790 K796 M838 D842	S788-K792 WeakPolarHBondContact O-CB 3.48Å; S788-K792 VanDerWaalsContact O-CD 3.26Å; S788-K792 WeakPolarHBondContact O-CD 3.45Å; S788-K792 WeakPolarHBondContact O-CG 3.02Å; S788-K792 PolarHBondContact O-N 2.03Å; S788-K792 WeakPolarHBondContact OG-CE 3.42Å; S788-K792 PolarHBondContact OG-NZ 3.47Å; D789-K792 PolarHBondContact O-N 3.46Å; D789-K792 WeakPolarHBondContact OD1-CD 3.34Å; D789-K792 IonicContact OD1-NZ 2.64Å; D789-K792 PolarHBondContact OD1-NZ 2.72Å; D790-K792 PolarHBondContact O-N 3.07Å; K792-K796 WeakPolarHBondContact O-CD 3.5Å; K792-K796 WeakPolarHBondContact O-CG 2.94Å; K792-K796 PolarHBondContact O-N 3.11Å; K792-M838 HydrophobicContact CB-CE 4.41Å; K792-M838 HydrophobicContact CD-CE 4.47Å; K792-M838 HydrophobicContact CG-CE 3.38Å; K792-M838 HydrophobicContact CG-SD 4.08Å; K792-D842 IonicContact NZ-OD1 2.7Å
793	Q	51.8	Low	49.5	Very low	110 Å²	110	71 Å²	71	51%	0.514	37%	0.373	S	S	.	.	H	α-helix	trans	-77.7	-46	178.6	-167.3	150.4	-90.9	0	0	112	D789 D790 A791 T795 K796 M797	D789-Q793 WeakPolarHBondContact O-CB 3.33Å; D789-Q793 PolarHBondContact O-N 3.05Å; D790-Q793 WeakPolarHBondContact O-CA 3.48Å; D790-Q793 WeakPolarHBondContact O-CB 3.21Å; D790-Q793 PolarHBondContact O-N 2.82Å; A791-Q793 PolarHBondContact O-N 3.11Å; Q793-T795 VanDerWaalsContact C-N 3.32Å; Q793-T795 PolarHBondContact O-N 3.33Å; Q793-K796 WeakPolarHBondContact O-CB 3.31Å; Q793-K796 PolarHBondContact O-N 2.75Å; Q793-K796 VanDerWaalsContact O-N 3.14Å; Q793-M797 HydrophobicContact CG-CE 4.39Å; Q793-M797 WeakPolarHBondContact O-CG 3.43Å; Q793-M797 PolarHBondContact O-N 2.82Å
794	E	49.2	Very low	49.6	Very low	119 Å²	119	68.8 Å²	68.8	56%	0.556	37%	0.37	S	S	*	.	H	α-helix	trans	-58.3	-43	170.4	-74.3	-58.9	143.5	0	0	111.8	D790 K796 M797 A798	D790-E794 PolarHBondContact O-N 3.12Å; E794-K796 VanDerWaalsContact C-N 3.28Å; E794-K796 PolarHBondContact O-N 3.31Å; E794-M797 PolarHBondContact O-N 2.03Å; E794-A798 PolarHBondContact O-N 3.03Å
795	T	46.6	Very low	49.8	Very low	19 Å²	19	69.3 Å²	69.3	12%	0.117	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-36.7	176.1	-56.9	0	0	0	0	111.7	A791 Q793 D799 K831 Q835	A791-T795 VanDerWaalsContact O-CB 3.25Å; A791-T795 WeakPolarHBondContact O-CB 3.46Å; A791-T795 PolarHBondContact O-N 3.47Å; A791-T795 PolarHBondContact O-OG1 3.1Å; Q793-T795 VanDerWaalsContact C-N 3.32Å; Q793-T795 PolarHBondContact O-N 3.33Å; T795-D799 VanDerWaalsContact O-CB 3.3Å; T795-D799 WeakPolarHBondContact O-CB 3Å; T795-D799 PolarHBondContact O-N 2.83Å; T795-K831 HydrophobicContact CG2-CG 4.1Å; T795-Q835 HydrophobicContact CG2-CG 4.04Å
796	K	51.5	Low	50	Low	146 Å²	146	70.8 Å²	70.8	64%	0.635	37%	0.374	S	S	*	.	H	α-helix	trans	-69.2	-36	172.5	-71.2	161.3	-169.6	165	0	112.4	K792 Q793 E794 D799 S800	K792-K796 WeakPolarHBondContact O-CD 3.5Å; K792-K796 WeakPolarHBondContact O-CG 2.94Å; K792-K796 PolarHBondContact O-N 3.11Å; Q793-K796 WeakPolarHBondContact O-CB 3.31Å; Q793-K796 PolarHBondContact O-N 2.75Å; Q793-K796 VanDerWaalsContact O-N 3.14Å; E794-K796 VanDerWaalsContact C-N 3.28Å; E794-K796 PolarHBondContact O-N 3.31Å; K796-D799 PolarHBondContact O-N 3.21Å; K796-S800 PolarHBondContact O-N 3.44Å
797	M	50.5	Low	50.2	Low	99 Å²	99	75.9 Å²	75.9	49%	0.488	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-45.1	175	-64.6	-152	-165.2	0	0	111.4	Q793 E794 D799 S800 M801	Q793-M797 HydrophobicContact CG-CE 4.39Å; Q793-M797 WeakPolarHBondContact O-CG 3.43Å; Q793-M797 PolarHBondContact O-N 2.82Å; E794-M797 PolarHBondContact O-N 2.03Å; M797-D799 VanDerWaalsContact C-N 3.3Å; M797-D799 PolarHBondContact O-N 2.01Å; M797-S800 WeakPolarHBondContact O-CA 3.43Å; M797-S800 WeakPolarHBondContact O-CB 3.4Å; M797-S800 PolarHBondContact O-N 3.01Å; M797-M801 PolarHBondContact O-N 2.78Å
798	A	49.1	Very low	50.2	Low	24 Å²	24	75.4 Å²	75.4	20%	0.198	38%	0.381	C	S	.	.	H	α-helix	trans	-58.5	-41.4	172.8	0	0	0	0	0	111.9	E794 S800 M801 L802 L827	E794-A798 PolarHBondContact O-N 3.03Å; A798-S800 VanDerWaalsContact C-N 3.26Å; A798-S800 PolarHBondContact O-N 3.1Å; A798-M801 PolarHBondContact O-N 3.36Å; A798-L802 PolarHBondContact O-N 2.92Å; A798-L827 HydrophobicContact CB-CD2 4.45Å
799	D	48.6	Very low	50.1	Low	52 Å²	52	78.5 Å²	78.5	28%	0.278	40%	0.395	S	S	.	.	H	α-helix	trans	-70.1	-19	175.8	-160.5	57.4	0	0	0	112.9	T795 K796 M797 K803 K831	T795-D799 VanDerWaalsContact O-CB 3.3Å; T795-D799 WeakPolarHBondContact O-CB 3Å; T795-D799 PolarHBondContact O-N 2.83Å; K796-D799 PolarHBondContact O-N 3.21Å; M797-D799 VanDerWaalsContact C-N 3.3Å; M797-D799 PolarHBondContact O-N 2.01Å; D799-K803 VanDerWaalsContact CG-NZ 3.25Å; D799-K803 VanDerWaalsContact O-CG 3.32Å; D799-K803 WeakPolarHBondContact O-CG 3.49Å; D799-K803 PolarHBondContact O-NZ 3.29Å; D799-K803 IonicContact OD1-NZ 3.46Å; D799-K803 IonicContact OD2-NZ 3.4Å; D799-K803 PolarHBondContact OD2-NZ 3.24Å; D799-K831 IonicContact OD1-NZ 3.76Å; D799-K831 PolarHBondContact OD1-NZ 3.14Å
800	S	49.5	Very low	50.2	Low	58 Å²	58	82.5 Å²	82.5	41%	0.406	41%	0.408	S	S	.	.	H	α-helix	trans	-80.2	-46.6	166.4	-162.1	0	0	0	0	111.4	K796 M797 A798 L802 K803 D804	K796-S800 PolarHBondContact O-N 3.44Å; M797-S800 WeakPolarHBondContact O-CA 3.43Å; M797-S800 WeakPolarHBondContact O-CB 3.4Å; M797-S800 PolarHBondContact O-N 3.01Å; A798-S800 VanDerWaalsContact C-N 3.26Å; A798-S800 PolarHBondContact O-N 3.1Å; S800-L802 VanDerWaalsContact C-N 3.31Å; S800-L802 PolarHBondContact O-N 2.69Å; S800-K803 WeakPolarHBondContact O-CA 3.5Å; S800-K803 WeakPolarHBondContact O-CB 3.44Å; S800-K803 PolarHBondContact O-N 2.86Å; S800-D804 PolarHBondContact O-N 3.34Å
801	M	48.4	Very low	50	Low	120 Å²	120	85.5 Å²	85.5	59%	0.591	42%	0.424	S	S	*	.	H	α-helix	trans	-58.1	-41.1	177.5	-72.2	-171.4	176.1	0	0	112	M797 A798 K803 D804 I805 L827	M797-M801 PolarHBondContact O-N 2.78Å; A798-M801 PolarHBondContact O-N 3.36Å; M801-K803 VanDerWaalsContact C-N 3.34Å; M801-K803 PolarHBondContact O-N 3.18Å; M801-D804 PolarHBondContact O-N 2.03Å; M801-I805 WeakPolarHBondContact O-CB 3.39Å; M801-I805 WeakPolarHBondContact O-CD1 3.03Å; M801-I805 WeakPolarHBondContact O-CG1 3.46Å; M801-I805 PolarHBondContact O-N 3.17Å; M801-L827 HydrophobicContact CB-CD2 4.12Å
802	L	50.7	Low	49.8	Very low	18 Å²	18	86.9 Å²	86.9	9%	0.094	43%	0.427	C	S	.	.	H	α-helix	trans	-56.3	-45.3	171.5	-93.8	156.6	0	0	0	112.1	A798 S800 D804 I805 S806 A824 L827 D828 K831	A798-L802 PolarHBondContact O-N 2.92Å; S800-L802 VanDerWaalsContact C-N 3.31Å; S800-L802 PolarHBondContact O-N 2.69Å; L802-D804 VanDerWaalsContact C-N 3.34Å; L802-D804 PolarHBondContact O-N 2.86Å; L802-I805 PolarHBondContact O-N 3.31Å; L802-S806 PolarHBondContact O-N 3.34Å; L802-S806 PolarHBondContact O-OG 3.08Å; L802-A824 HydrophobicContact CD2-CB 4.13Å; L802-L827 HydrophobicContact CD1-CB 4.19Å; L802-L827 HydrophobicContact CD1-CD2 4.37Å; L802-L827 HydrophobicContact CD2-CB 4.37Å; L802-L827 HydrophobicContact CG-CB 4.13Å; L802-L827 HydrophobicContact CG-CD2 3.96Å; L802-D828 WeakPolarHBondContact CD1-OD1 3.21Å; L802-K831 HydrophobicContact CD1-CD 4.33Å
803	K	55.2	Low	49.8	Very low	105 Å²	105	88.2 Å²	88.2	46%	0.457	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-33.9	178.5	-67.9	178.4	-166.1	92.3	0	112.5	D799 S800 M801 R807	D799-K803 VanDerWaalsContact CG-NZ 3.25Å; D799-K803 VanDerWaalsContact O-CG 3.32Å; D799-K803 WeakPolarHBondContact O-CG 3.49Å; D799-K803 PolarHBondContact O-NZ 3.29Å; D799-K803 IonicContact OD1-NZ 3.46Å; D799-K803 IonicContact OD2-NZ 3.4Å; D799-K803 PolarHBondContact OD2-NZ 3.24Å; S800-K803 WeakPolarHBondContact O-CA 3.5Å; S800-K803 WeakPolarHBondContact O-CB 3.44Å; S800-K803 PolarHBondContact O-N 2.86Å; M801-K803 VanDerWaalsContact C-N 3.34Å; M801-K803 PolarHBondContact O-N 3.18Å; K803-R807 WeakPolarHBondContact O-CD 3.12Å; K803-R807 VanDerWaalsContact O-CG 3.26Å; K803-R807 WeakPolarHBondContact O-CG 3.49Å; K803-R807 PolarHBondContact O-N 2.72Å
804	D	54.1	Low	49.8	Very low	65 Å²	65	88.1 Å²	88.1	35%	0.348	45%	0.452	S	S	.	.	H	α-helix	trans	-79.9	-32.4	177.2	-68.9	-44.9	0	0	0	112.9	S800 M801 L802 R807 L808	S800-D804 PolarHBondContact O-N 3.34Å; M801-D804 PolarHBondContact O-N 2.03Å; L802-D804 VanDerWaalsContact C-N 3.34Å; L802-D804 PolarHBondContact O-N 2.86Å; D804-R807 WeakPolarHBondContact O-CB 3.4Å; D804-R807 PolarHBondContact O-N 3.08Å; D804-R807 VanDerWaalsContact O-N 3.15Å; D804-R807 VanDerWaalsContact OD1-CD 3.3Å; D804-R807 WeakPolarHBondContact OD1-CD 3.45Å; D804-R807 IonicContact OD1-CZ 3.1Å; D804-R807 IonicContact OD1-NE 2.7Å; D804-R807 IonicContact OD1-NH1 2.7Å; D804-R807 PolarHBondContact OD1-NH1 2.74Å; D804-L808 PolarHBondContact O-N 2.04Å
805	I	51.1	Low	49.6	Very low	44 Å²	44	87.6 Å²	87.6	23%	0.226	46%	0.461	C	S	.	.	H	α-helix	trans	-60.2	-49	167.3	-71.6	164.5	0	0	0	110.3	M801 L802 R807 L808 E809 V820 A824 L827	M801-I805 WeakPolarHBondContact O-CB 3.39Å; M801-I805 WeakPolarHBondContact O-CD1 3.03Å; M801-I805 WeakPolarHBondContact O-CG1 3.46Å; M801-I805 PolarHBondContact O-N 3.17Å; L802-I805 PolarHBondContact O-N 3.31Å; I805-R807 PolarHBondContact O-N 3.08Å; I805-L808 WeakPolarHBondContact O-CB 3.41Å; I805-L808 PolarHBondContact O-N 3.31Å; I805-L808 VanDerWaalsContact O-N 3.13Å; I805-E809 WeakPolarHBondContact O-CB 3.43Å; I805-E809 PolarHBondContact O-N 3.5Å; I805-V820 HydrophobicContact CG2-CG1 3.63Å; I805-A824 HydrophobicContact CG2-CB 4.4Å; I805-L827 HydrophobicContact CD1-CD2 4.48Å
806	S	51.8	Low	49.4	Very low	55 Å²	55	92 Å²	92	39%	0.385	48%	0.482	S	S	.	.	H	α-helix	trans	-67.7	-12	175.1	-62.6	0	0	0	0	114.5	L802	L802-S806 PolarHBondContact O-N 3.34Å; L802-S806 PolarHBondContact O-OG 3.08Å
807	R	54.7	Low	49.4	Very low	167 Å²	167	88.6 Å²	88.6	63%	0.63	47%	0.467	S	S	*	.	H	α-helix	trans	-83.8	-42.2	168	-74.6	163.6	179.7	-178.2	-2.9	111.5	K803 D804 I805	K803-R807 WeakPolarHBondContact O-CD 3.12Å; K803-R807 VanDerWaalsContact O-CG 3.26Å; K803-R807 WeakPolarHBondContact O-CG 3.49Å; K803-R807 PolarHBondContact O-N 2.72Å; D804-R807 WeakPolarHBondContact O-CB 3.4Å; D804-R807 PolarHBondContact O-N 3.08Å; D804-R807 VanDerWaalsContact O-N 3.15Å; D804-R807 VanDerWaalsContact OD1-CD 3.3Å; D804-R807 WeakPolarHBondContact OD1-CD 3.45Å; D804-R807 IonicContact OD1-CZ 3.1Å; D804-R807 IonicContact OD1-NE 2.7Å; D804-R807 IonicContact OD1-NH1 2.7Å; D804-R807 PolarHBondContact OD1-NH1 2.74Å; I805-R807 PolarHBondContact O-N 3.08Å
808	L	49.4	Very low	49.4	Very low	111 Å²	111	90.2 Å²	90.2	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-60.3	-45.5	173.5	-83.2	157.1	0	0	0	111.7	D804 I805 K810 N811 L812	D804-L808 PolarHBondContact O-N 2.04Å; I805-L808 WeakPolarHBondContact O-CB 3.41Å; I805-L808 PolarHBondContact O-N 3.31Å; I805-L808 VanDerWaalsContact O-N 3.13Å; L808-K810 PolarHBondContact O-N 3.41Å; L808-N811 PolarHBondContact O-N 2.03Å; L808-L812 HydrophobicContact CB-CD1 4.3Å; L808-L812 VanDerWaalsContact O-CD1 3.23Å; L808-L812 WeakPolarHBondContact O-CD1 3.43Å
809	E	42.3	Very low	49.4	Very low	71 Å²	71	92 Å²	92	33%	0.332	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-49	-32.2	-177.2	-162.6	-146.2	133.6	0	0	113.9	I805 N811 K817	I805-E809 WeakPolarHBondContact O-CB 3.43Å; I805-E809 PolarHBondContact O-N 3.5Å; E809-N811 PolarHBondContact O-N 2.02Å; E809-K817 VanDerWaalsContact CD-NZ 3.31Å; E809-K817 IonicContact OE1-NZ 2.62Å; E809-K817 PolarHBondContact OE1-NZ 2.75Å
810	K	51.5	Low	49.5	Very low	180 Å²	180	90.9 Å²	90.9	78%	0.783	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-67.6	-15.1	-180	-75.4	-178	175.8	174.5	0	115.3	L808	L808-K810 PolarHBondContact O-N 3.41Å
811	N	47.8	Very low	49.7	Very low	146 Å²	146	90.8 Å²	90.8	78%	0.781	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-122.9	5.8	-175	-67.1	-44.3	0	0	0	113.9	L808 E809	L808-N811 PolarHBondContact O-N 2.03Å; E809-N811 PolarHBondContact O-N 2.02Å
812	L	41.5	Very low	49.9	Very low	63 Å²	63	87.6 Å²	87.6	33%	0.33	48%	0.475	S	S	.	.			trans	-84.9	148.6	-174.9	-103.3	74.8	0	0	0	114	L808 M816 V820	L808-L812 HydrophobicContact CB-CD1 4.3Å; L808-L812 VanDerWaalsContact O-CD1 3.23Å; L808-L812 WeakPolarHBondContact O-CD1 3.43Å; L812-M816 HydrophobicContact CD2-CB 3.96Å; L812-V820 HydrophobicContact CD2-CG2 3.75Å
813	P	50.5	Low	49.8	Very low	81 Å²	81	93 Å²	93	53%	0.526	50%	0.501	S	S	.	.			trans	-64.6	148.1	166.3	-18.7	32.3	0	0	0	112.3	S815 M816	P813-S815 PolarHBondContact O-N 3.38Å; P813-S815 VanDerWaalsContact O-N 3.1Å; P813-M816 PolarHBondContact O-N 3.24Å; P813-M816 VanDerWaalsContact O-N 3.15Å
814	S	51.4	Low	49.6	Very low	108 Å²	108	89 Å²	89	76%	0.755	49%	0.488	S	S	*	.	H	α-helix	trans	-58.2	-27.2	-177.6	51.1	0	0	0	0	114.6	M816 K817	S814-M816 PolarHBondContact O-N 3.31Å; S814-M816 VanDerWaalsContact O-N 3.17Å; S814-K817 PolarHBondContact O-N 3.15Å
815	S	45	Very low	49.8	Very low	107 Å²	107	90.7 Å²	90.7	75%	0.748	50%	0.501	S	S	*	.	H	α-helix	trans	-69.4	-6.7	179.5	59.4	0	0	0	0	115.2	P813	P813-S815 PolarHBondContact O-N 3.38Å; P813-S815 VanDerWaalsContact O-N 3.1Å
816	M	42.6	Very low	50	Low	112 Å²	112	97.5 Å²	97.5	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-117.5	-7.7	177.2	-68.7	177.6	175.8	0	0	113	L812 P813 S814 A819 V820	L812-M816 HydrophobicContact CD2-CB 3.96Å; P813-M816 PolarHBondContact O-N 3.24Å; P813-M816 VanDerWaalsContact O-N 3.15Å; S814-M816 PolarHBondContact O-N 3.31Å; S814-M816 VanDerWaalsContact O-N 3.17Å; M816-A819 PolarHBondContact O-N 3.17Å; M816-V820 PolarHBondContact O-N 3.02Å
817	K	50.9	Low	49.8	Very low	74 Å²	74	97.2 Å²	97.2	32%	0.322	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-49.7	-170.5	-175.6	163.9	176.2	41.9	0	112.4	E809 S814 A819 V820 D821	E809-K817 VanDerWaalsContact CD-NZ 3.31Å; E809-K817 IonicContact OE1-NZ 2.62Å; E809-K817 PolarHBondContact OE1-NZ 2.75Å; S814-K817 PolarHBondContact O-N 3.15Å; K817-A819 PolarHBondContact O-N 3.33Å; K817-A819 VanDerWaalsContact O-N 3.12Å; K817-V820 PolarHBondContact O-N 3.35Å; K817-D821 WeakPolarHBondContact CG-OD2 3.32Å; K817-D821 IonicContact NZ-OD1 2.94Å; K817-D821 PolarHBondContact NZ-OD1 3.06Å; K817-D821 IonicContact NZ-OD2 3.09Å; K817-D821 PolarHBondContact NZ-OD2 2.94Å; K817-D821 VanDerWaalsContact NZ-OD2 3.09Å; K817-D821 PolarHBondContact O-N 3.45Å
818	D	51.7	Low	49.5	Very low	133 Å²	133	93 Å²	93	71%	0.711	51%	0.507	S	S	*	.	H	α-helix	trans	-57.3	-31.1	-179.9	-51.9	-21.8	0	0	0	112.9	A822	D818-A822 WeakPolarHBondContact O-CB 3.42Å; D818-A822 PolarHBondContact O-N 3.02Å; D818-A822 VanDerWaalsContact O-N 3.08Å
819	A	49.2	Very low	49.7	Very low	61 Å²	61	90.7 Å²	90.7	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-76.2	-36.4	177.8	0	0	0	0	0	112.5	M816 K817 M823	M816-A819 PolarHBondContact O-N 3.17Å; K817-A819 PolarHBondContact O-N 3.33Å; K817-A819 VanDerWaalsContact O-N 3.12Å; A819-M823 WeakPolarHBondContact O-CG 3.44Å; A819-M823 PolarHBondContact O-N 3.15Å; A819-M823 VanDerWaalsContact O-N 3.08Å
820	V	50.2	Low	50.1	Low	30 Å²	30	93 Å²	93	18%	0.182	52%	0.519	C	S	.	.	H	α-helix	trans	-72.2	-43.7	175.3	174.3	0	0	0	0	110.8	I805 L812 M816 K817 A822 M823 A824	I805-V820 HydrophobicContact CG2-CG1 3.63Å; L812-V820 HydrophobicContact CD2-CG2 3.75Å; M816-V820 PolarHBondContact O-N 3.02Å; K817-V820 PolarHBondContact O-N 3.35Å; V820-A822 VanDerWaalsContact C-N 3.28Å; V820-A822 PolarHBondContact O-N 3.1Å; V820-M823 PolarHBondContact O-N 2.83Å; V820-M823 VanDerWaalsContact O-N 3.08Å; V820-A824 PolarHBondContact O-N 3.13Å
821	D	52.8	Low	50.1	Low	56 Å²	56	86.3 Å²	86.3	30%	0.299	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-38.5	175.5	-65.3	-7.4	0	0	0	110.5	K817 T825	K817-D821 WeakPolarHBondContact CG-OD2 3.32Å; K817-D821 IonicContact NZ-OD1 2.94Å; K817-D821 PolarHBondContact NZ-OD1 3.06Å; K817-D821 IonicContact NZ-OD2 3.09Å; K817-D821 PolarHBondContact NZ-OD2 2.94Å; K817-D821 VanDerWaalsContact NZ-OD2 3.09Å; K817-D821 PolarHBondContact O-N 3.45Å; D821-T825 WeakPolarHBondContact O-CB 3.26Å; D821-T825 PolarHBondContact O-N 2.93Å; D821-T825 PolarHBondContact O-OG1 2.88Å
822	A	52.6	Low	50.4	Low	52 Å²	52	85.3 Å²	85.3	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-69.1	-29.9	173.5	0	0	0	0	0	114.3	D818 V820 R826	D818-A822 WeakPolarHBondContact O-CB 3.42Å; D818-A822 PolarHBondContact O-N 3.02Å; D818-A822 VanDerWaalsContact O-N 3.08Å; V820-A822 VanDerWaalsContact C-N 3.28Å; V820-A822 PolarHBondContact O-N 3.1Å; A822-R826 WeakPolarHBondContact O-CG 3.38Å; A822-R826 PolarHBondContact O-N 3.01Å
823	M	49.5	Very low	51	Low	132 Å²	132	84.5 Å²	84.5	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-73.1	-46.1	172	-77.2	-176.9	175.7	0	0	111.5	A819 V820 T825 R826 L827	A819-M823 WeakPolarHBondContact O-CG 3.44Å; A819-M823 PolarHBondContact O-N 3.15Å; A819-M823 VanDerWaalsContact O-N 3.08Å; V820-M823 PolarHBondContact O-N 2.83Å; V820-M823 VanDerWaalsContact O-N 3.08Å; M823-T825 PolarHBondContact O-N 2.85Å; M823-R826 PolarHBondContact O-N 3.04Å; M823-R826 VanDerWaalsContact O-N 3.14Å; M823-L827 PolarHBondContact O-N 3.03Å
824	A	51	Low	51	Low	21 Å²	21	82.3 Å²	82.3	17%	0.174	47%	0.471	C	S	.	.	H	α-helix	trans	-58.2	-46.7	176.6	0	0	0	0	0	111.5	L802 I805 V820 R826 L827 D828	L802-A824 HydrophobicContact CD2-CB 4.13Å; I805-A824 HydrophobicContact CG2-CB 4.4Å; V820-A824 PolarHBondContact O-N 3.13Å; A824-R826 PolarHBondContact O-N 3.4Å; A824-L827 PolarHBondContact O-N 2.84Å; A824-L827 VanDerWaalsContact O-N 3.09Å; A824-D828 PolarHBondContact O-N 2.97Å
825	T	57.3	Low	50.9	Low	100 Å²	100	81.1 Å²	81.1	61%	0.613	45%	0.454	S	S	*	.	H	α-helix	trans	-58.5	-34.7	176.7	-53.8	0	0	0	0	112.6	D821 M823 A829	D821-T825 WeakPolarHBondContact O-CB 3.26Å; D821-T825 PolarHBondContact O-N 2.93Å; D821-T825 PolarHBondContact O-OG1 2.88Å; M823-T825 PolarHBondContact O-N 2.85Å; T825-A829 WeakPolarHBondContact O-CB 3.43Å; T825-A829 PolarHBondContact O-N 2.95Å
826	R	55.2	Low	51.5	Low	188 Å²	188	83.3 Å²	83.3	71%	0.709	45%	0.45	S	S	*	.	H	α-helix	trans	-75.1	-36.2	175.5	-80.1	177.3	168.5	172.3	-3.2	112.9	A822 M823 A824 A829 L830	A822-R826 WeakPolarHBondContact O-CG 3.38Å; A822-R826 PolarHBondContact O-N 3.01Å; M823-R826 PolarHBondContact O-N 3.04Å; M823-R826 VanDerWaalsContact O-N 3.14Å; A824-R826 PolarHBondContact O-N 3.4Å; R826-A829 PolarHBondContact O-N 3.12Å; R826-L830 WeakPolarHBondContact O-CG 3.38Å; R826-L830 PolarHBondContact O-N 3.02Å; R826-L830 VanDerWaalsContact O-N 3.08Å
827	L	48.5	Very low	51.8	Low	48 Å²	48	83.1 Å²	83.1	25%	0.251	45%	0.451	S	S	.	.	H	α-helix	trans	-67.1	-42.9	177.6	-131.1	76.3	0	0	0	111.4	A798 M801 L802 I805 M823 A824 A829 L830 K831	A798-L827 HydrophobicContact CB-CD2 4.45Å; M801-L827 HydrophobicContact CB-CD2 4.12Å; L802-L827 HydrophobicContact CD1-CB 4.19Å; L802-L827 HydrophobicContact CD1-CD2 4.37Å; L802-L827 HydrophobicContact CD2-CB 4.37Å; L802-L827 HydrophobicContact CG-CB 4.13Å; L802-L827 HydrophobicContact CG-CD2 3.96Å; I805-L827 HydrophobicContact CD1-CD2 4.48Å; M823-L827 PolarHBondContact O-N 3.03Å; A824-L827 PolarHBondContact O-N 2.84Å; A824-L827 VanDerWaalsContact O-N 3.09Å; L827-A829 PolarHBondContact O-N 3.49Å; L827-L830 PolarHBondContact O-N 3.46Å; L827-K831 WeakPolarHBondContact O-CB 3.44Å; L827-K831 PolarHBondContact O-N 3.09Å
828	D	49.5	Very low	51.8	Low	78 Å²	78	81 Å²	81	42%	0.417	44%	0.443	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175.9	-116.4	2.1	0	0	0	111.7	L802 A824 L830 K831 E832	L802-D828 WeakPolarHBondContact CD1-OD1 3.21Å; A824-D828 PolarHBondContact O-N 2.97Å; D828-L830 PolarHBondContact O-N 3.37Å; D828-K831 WeakPolarHBondContact O-CB 3.29Å; D828-K831 PolarHBondContact O-N 2.98Å; D828-K831 IonicContact OD1-NZ 3.7Å; D828-E832 PolarHBondContact O-N 3.4Å
829	A	52.5	Low	52	Low	64 Å²	64	77.4 Å²	77.4	53%	0.529	43%	0.428	S	S	.	.	H	α-helix	trans	-65.4	-35.4	176	0	0	0	0	0	113.3	T825 R826 L827 A833	T825-A829 WeakPolarHBondContact O-CB 3.43Å; T825-A829 PolarHBondContact O-N 2.95Å; R826-A829 PolarHBondContact O-N 3.12Å; L827-A829 PolarHBondContact O-N 3.49Å; A829-A833 PolarHBondContact O-N 2.87Å
830	L	50.6	Low	52.2	Low	119 Å²	119	77.1 Å²	77.1	62%	0.623	43%	0.426	S	S	*	.	H	α-helix	trans	-71	-38.6	173.8	-74.8	167.6	0	0	0	111.9	R826 L827 D828 A833 A834	R826-L830 WeakPolarHBondContact O-CG 3.38Å; R826-L830 PolarHBondContact O-N 3.02Å; R826-L830 VanDerWaalsContact O-N 3.08Å; L827-L830 PolarHBondContact O-N 3.46Å; D828-L830 PolarHBondContact O-N 3.37Å; L830-A833 PolarHBondContact O-N 2.93Å; L830-A834 WeakPolarHBondContact O-CB 3.45Å; L830-A834 PolarHBondContact O-N 3.29Å
831	K	51.9	Low	52	Low	39 Å²	39	78.2 Å²	78.2	17%	0.17	43%	0.432	C	S	.	.	H	α-helix	trans	-62	-47.5	175.4	170.4	-175.8	164.1	-166.8	0	112.2	T795 D799 L802 L827 D828 A833 A834 Q835	T795-K831 HydrophobicContact CG2-CG 4.1Å; D799-K831 IonicContact OD1-NZ 3.76Å; D799-K831 PolarHBondContact OD1-NZ 3.14Å; L802-K831 HydrophobicContact CD1-CD 4.33Å; L827-K831 WeakPolarHBondContact O-CB 3.44Å; L827-K831 PolarHBondContact O-N 3.09Å; D828-K831 WeakPolarHBondContact O-CB 3.29Å; D828-K831 PolarHBondContact O-N 2.98Å; D828-K831 IonicContact OD1-NZ 3.7Å; K831-A833 VanDerWaalsContact C-N 3.31Å; K831-A833 PolarHBondContact O-N 2.04Å; K831-A834 PolarHBondContact O-N 3Å; K831-Q835 VanDerWaalsContact CE-OE1 3.32Å; K831-Q835 WeakPolarHBondContact O-CG 3.14Å; K831-Q835 PolarHBondContact O-N 3.11Å
832	E	54.5	Low	51.9	Low	125 Å²	125	79 Å²	79	58%	0.584	44%	0.437	S	S	*	.	H	α-helix	trans	-59.8	-40.7	174.4	-76.9	-72	145.3	0	0	111.8	D828 K836	D828-E832 PolarHBondContact O-N 3.4Å; E832-K836 WeakPolarHBondContact O-CB 3.04Å; E832-K836 PolarHBondContact O-N 3.08Å
833	A	53.6	Low	52.1	Low	47 Å²	47	82.2 Å²	82.2	39%	0.388	45%	0.446	S	S	.	.	H	α-helix	trans	-65.6	-41.4	175.4	0	0	0	0	0	112.7	A829 L830 K831 K836 N837	A829-A833 PolarHBondContact O-N 2.87Å; L830-A833 PolarHBondContact O-N 2.93Å; K831-A833 VanDerWaalsContact C-N 3.31Å; K831-A833 PolarHBondContact O-N 2.04Å; A833-K836 PolarHBondContact O-N 3.48Å; A833-N837 PolarHBondContact O-N 3.19Å
834	A	49.6	Very low	52	Low	34 Å²	34	81.5 Å²	81.5	28%	0.281	44%	0.444	S	S	.	.	H	α-helix	trans	-63.6	-48	175.7	0	0	0	0	0	111.6	L830 K831 K836 N837 M838	L830-A834 WeakPolarHBondContact O-CB 3.45Å; L830-A834 PolarHBondContact O-N 3.29Å; K831-A834 PolarHBondContact O-N 3Å; A834-K836 VanDerWaalsContact C-N 3.31Å; A834-K836 PolarHBondContact O-N 3.03Å; A834-N837 PolarHBondContact O-N 3.15Å; A834-M838 WeakPolarHBondContact O-CG 3.02Å; A834-M838 PolarHBondContact O-N 3.37Å
835	Q	50.4	Low	51.9	Low	83 Å²	83	82.6 Å²	82.6	39%	0.388	45%	0.447	S	S	.	.	H	α-helix	trans	-60.5	-38.8	177	-73.4	-175.3	-121.8	0	0	112.4	T795 K831 M838 S839	T795-Q835 HydrophobicContact CG2-CG 4.04Å; K831-Q835 VanDerWaalsContact CE-OE1 3.32Å; K831-Q835 WeakPolarHBondContact O-CG 3.14Å; K831-Q835 PolarHBondContact O-N 3.11Å; Q835-M838 PolarHBondContact O-N 3.11Å; Q835-S839 PolarHBondContact O-N 3.16Å; Q835-S839 PolarHBondContact O-OG 3.06Å
836	K	57.4	Low	51.7	Low	153 Å²	153	79.5 Å²	79.5	67%	0.665	44%	0.435	S	S	*	.	H	α-helix	trans	-66.6	-39	175.8	-174	-178.6	176.2	-171.4	0	112.8	E832 A833 A834 S839 A840	E832-K836 WeakPolarHBondContact O-CB 3.04Å; E832-K836 PolarHBondContact O-N 3.08Å; A833-K836 PolarHBondContact O-N 3.48Å; A834-K836 VanDerWaalsContact C-N 3.31Å; A834-K836 PolarHBondContact O-N 3.03Å; K836-S839 WeakPolarHBondContact CA-OG 3.28Å; K836-S839 PolarHBondContact O-OG 3.33Å; K836-A840 PolarHBondContact O-N 2.81Å
837	N	49.3	Very low	51.4	Low	109 Å²	109	72.7 Å²	72.7	58%	0.583	42%	0.419	S	S	*	.	H	α-helix	trans	-70.8	-37.4	176.1	-72.1	-3.1	0	0	0	111.6	A833 A834 A840 V841	A833-N837 PolarHBondContact O-N 3.19Å; A834-N837 PolarHBondContact O-N 3.15Å; N837-A840 PolarHBondContact O-N 2.88Å; N837-V841 PolarHBondContact O-N 2.74Å
838	M	50.7	Low	51.3	Low	30 Å²	30	72.9 Å²	72.9	15%	0.148	42%	0.422	C	S	.	.	H	α-helix	trans	-58.9	-47.3	172.3	-75.2	161.8	36.3	0	0	111.7	A791 K792 A834 Q835 A840 V841 D842	A791-M838 HydrophobicContact CB-CG 4.13Å; A791-M838 HydrophobicContact CB-SD 4.21Å; K792-M838 HydrophobicContact CB-CE 4.41Å; K792-M838 HydrophobicContact CD-CE 4.47Å; K792-M838 HydrophobicContact CG-CE 3.38Å; K792-M838 HydrophobicContact CG-SD 4.08Å; A834-M838 WeakPolarHBondContact O-CG 3.02Å; A834-M838 PolarHBondContact O-N 3.37Å; Q835-M838 PolarHBondContact O-N 3.11Å; M838-A840 VanDerWaalsContact C-N 3.27Å; M838-A840 PolarHBondContact O-N 2.03Å; M838-V841 PolarHBondContact O-N 3.4Å; M838-V841 VanDerWaalsContact O-N 3.08Å; M838-D842 PolarHBondContact O-N 2.92Å
839	S	55.5	Low	51.3	Low	56 Å²	56	74 Å²	74	39%	0.392	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-37.9	175.4	46.2	0	0	0	0	112.5	Q835 K836 V841 D842 D843	Q835-S839 PolarHBondContact O-N 3.16Å; Q835-S839 PolarHBondContact O-OG 3.06Å; K836-S839 WeakPolarHBondContact CA-OG 3.28Å; K836-S839 PolarHBondContact O-OG 3.33Å; S839-V841 VanDerWaalsContact C-N 3.28Å; S839-V841 PolarHBondContact O-N 3.37Å; S839-D842 PolarHBondContact O-N 3.34Å; S839-D843 VanDerWaalsContact O-CB 3.29Å; S839-D843 WeakPolarHBondContact O-CB 3Å; S839-D843 PolarHBondContact O-N 2.65Å
840	A	53.3	Low	51.4	Low	56 Å²	56	76.5 Å²	76.5	46%	0.463	43%	0.429	S	S	.	.	H	α-helix	trans	-69.6	-22.6	176.9	0	0	0	0	0	113.7	K836 N837 M838 L844	K836-A840 PolarHBondContact O-N 2.81Å; N837-A840 PolarHBondContact O-N 2.88Å; M838-A840 VanDerWaalsContact C-N 3.27Å; M838-A840 PolarHBondContact O-N 2.03Å; A840-L844 WeakPolarHBondContact O-CB 3.46Å; A840-L844 PolarHBondContact O-N 2.76Å
841	V	46.9	Very low	51.1	Low	52 Å²	52	76.4 Å²	76.4	32%	0.315	43%	0.429	S	S	.	.	H	α-helix	trans	-81.5	-43.2	172.1	171.7	0	0	0	0	110.9	A784 N837 M838 S839 D843 L844 L845	A784-V841 HydrophobicContact CB-CG1 4.44Å; N837-V841 PolarHBondContact O-N 2.74Å; M838-V841 PolarHBondContact O-N 3.4Å; M838-V841 VanDerWaalsContact O-N 3.08Å; S839-V841 VanDerWaalsContact C-N 3.28Å; S839-V841 PolarHBondContact O-N 3.37Å; V841-D843 VanDerWaalsContact C-N 3.34Å; V841-L844 PolarHBondContact O-N 2.57Å; V841-L845 HydrophobicContact CG1-CD1 4.1Å; V841-L845 WeakPolarHBondContact O-CG 3.48Å; V841-L845 PolarHBondContact O-N 3.4Å
842	D	51.2	Low	51	Low	74 Å²	74	77.6 Å²	77.6	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-64.8	-38.5	176.4	-68	-2.4	0	0	0	110.8	S788 K792 M838 S839 L844 L845 G846	S788-D842 PolarHBondContact OG-OD1 3.49Å; S788-D842 VanDerWaalsContact OG-OD1 3.08Å; K792-D842 IonicContact NZ-OD1 2.7Å; M838-D842 PolarHBondContact O-N 2.92Å; S839-D842 PolarHBondContact O-N 3.34Å; D842-L844 PolarHBondContact O-N 3.46Å; D842-L845 PolarHBondContact O-N 3.39Å; D842-G846 PolarHBondContact O-N 3.46Å; D842-G846 VanDerWaalsContact O-N 3.08Å
843	D	55	Low	50.9	Low	119 Å²	119	75 Å²	75	64%	0.636	43%	0.425	S	S	*	.	H	α-helix	trans	-62.1	-38.3	171.3	-73.7	-26.9	0	0	0	112.2	S839 V841 A847	S839-D843 VanDerWaalsContact O-CB 3.29Å; S839-D843 WeakPolarHBondContact O-CB 3Å; S839-D843 PolarHBondContact O-N 2.65Å; V841-D843 VanDerWaalsContact C-N 3.34Å; D843-A847 PolarHBondContact O-N 3Å
844	L	47.6	Very low	50.8	Low	116 Å²	116	78 Å²	78	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-72.6	-38.5	179.3	-168.5	77	0	0	0	111.9	A840 V841 D842 A847 V848	A840-L844 WeakPolarHBondContact O-CB 3.46Å; A840-L844 PolarHBondContact O-N 2.76Å; V841-L844 PolarHBondContact O-N 2.57Å; D842-L844 PolarHBondContact O-N 3.46Å; L844-A847 PolarHBondContact O-N 3.44Å; L844-V848 WeakPolarHBondContact O-CG2 3.34Å; L844-V848 PolarHBondContact O-N 2.73Å
845	L	49.3	Very low	50.5	Low	45 Å²	45	78.3 Å²	78.3	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-63.3	-42.4	174.4	-73.6	167.7	0	0	0	111	E781 A784 V841 D842 A847 V848 E849	E781-L845 HydrophobicContact CB-CD2 4.22Å; E781-L845 HydrophobicContact CG-CD2 4.07Å; A784-L845 HydrophobicContact CB-CD2 4.27Å; V841-L845 HydrophobicContact CG1-CD1 4.1Å; V841-L845 WeakPolarHBondContact O-CG 3.48Å; V841-L845 PolarHBondContact O-N 3.4Å; D842-L845 PolarHBondContact O-N 3.39Å; L845-A847 VanDerWaalsContact C-N 3.35Å; L845-A847 PolarHBondContact O-N 3.04Å; L845-V848 PolarHBondContact O-N 2.93Å; L845-E849 PolarHBondContact O-N 3.35Å
846	G	53.9	Low	50.3	Low	34 Å²	34	77.6 Å²	77.6	35%	0.351	43%	0.434	S	S	.	.	H	α-helix	trans	-57.9	-45	173.2	0	0	0	0	0	112.7	D842 V848 E849 D850	D842-G846 PolarHBondContact O-N 3.46Å; D842-G846 VanDerWaalsContact O-N 3.08Å; G846-V848 PolarHBondContact O-N 3.29Å; G846-E849 PolarHBondContact O-N 3.42Å; G846-D850 PolarHBondContact O-N 2.68Å
847	A	48.9	Very low	50	Low	45 Å²	45	74.8 Å²	74.8	37%	0.372	43%	0.426	S	S	.	.	H	α-helix	trans	-64.7	-36	177.4	0	0	0	0	0	113.5	D843 L844 L845 D851	D843-A847 PolarHBondContact O-N 3Å; L844-A847 PolarHBondContact O-N 3.44Å; L845-A847 VanDerWaalsContact C-N 3.35Å; L845-A847 PolarHBondContact O-N 3.04Å; A847-D851 WeakPolarHBondContact O-CB 3.37Å; A847-D851 PolarHBondContact O-N 2.71Å
848	V	46.6	Very low	49.8	Very low	52 Å²	52	74 Å²	74	32%	0.315	42%	0.421	S	S	.	.	H	α-helix	trans	-69.9	-34.9	175.6	170.9	0	0	0	0	111.6	V777 L844 L845 G846 R852	V777-V848 HydrophobicContact CG1-CG1 3.78Å; L844-V848 WeakPolarHBondContact O-CG2 3.34Å; L844-V848 PolarHBondContact O-N 2.73Å; L845-V848 PolarHBondContact O-N 2.93Å; G846-V848 PolarHBondContact O-N 3.29Å; V848-R852 WeakPolarHBondContact O-CB 3.09Å; V848-R852 PolarHBondContact O-N 3.48Å
849	E	49.4	Very low	49.6	Very low	102 Å²	102	76.6 Å²	76.6	48%	0.477	44%	0.436	S	S	.	.	H	α-helix	trans	-76.5	-32.6	176.6	-174.1	146.2	-131.3	0	0	112.8	L845 G846 R852 T853	L845-E849 PolarHBondContact O-N 3.35Å; G846-E849 PolarHBondContact O-N 3.42Å; E849-R852 IonicContact OE1-CZ 2.83Å; E849-R852 IonicContact OE1-NE 3.85Å; E849-R852 IonicContact OE1-NH2 2.71Å; E849-R852 PolarHBondContact OE1-NH2 3.29Å; E849-T853 PolarHBondContact O-N 2.87Å; E849-T853 PolarHBondContact O-OG1 2.67Å
850	D	53.5	Low	49.3	Very low	116 Å²	116	78.4 Å²	78.4	62%	0.62	44%	0.441	S	S	*	.	H	α-helix	trans	-61.7	-51.8	166.1	-78	-20.8	0	0	0	110.5	G846 R852 T853 D854	G846-D850 PolarHBondContact O-N 2.68Å; D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 3.49Å; D850-T853 PolarHBondContact O-N 3Å; D850-D854 PolarHBondContact O-N 3.29Å
851	D	45.1	Very low	49.1	Very low	117 Å²	117	80.7 Å²	80.7	63%	0.626	44%	0.442	S	S	*	.	H	α-helix	trans	-59.2	-35.8	177.3	-85.1	-15.1	0	0	0	112.3	A847 A855	A847-D851 WeakPolarHBondContact O-CB 3.37Å; A847-D851 PolarHBondContact O-N 2.71Å; D851-A855 WeakPolarHBondContact O-CB 3.01Å; D851-A855 PolarHBondContact O-N 2.79Å; D851-A855 VanDerWaalsContact O-N 3.08Å
852	R	49.9	Very low	49	Very low	64 Å²	64	79.9 Å²	79.9	24%	0.242	44%	0.444	C	S	.	.	H	α-helix	trans	-63.2	-43.5	172.5	-179.2	-179.7	69.4	70.1	2.7	111.4	V848 E849 D850 A855 E856	V848-R852 WeakPolarHBondContact O-CB 3.09Å; V848-R852 PolarHBondContact O-N 3.48Å; E849-R852 IonicContact OE1-CZ 2.83Å; E849-R852 IonicContact OE1-NE 3.85Å; E849-R852 IonicContact OE1-NH2 2.71Å; E849-R852 PolarHBondContact OE1-NH2 3.29Å; D850-R852 VanDerWaalsContact C-N 3.28Å; D850-R852 PolarHBondContact O-N 3.49Å; R852-A855 PolarHBondContact O-N 3.34Å; R852-E856 WeakPolarHBondContact CG-OE1 3.41Å; R852-E856 IonicContact CZ-OE1 3.06Å; R852-E856 IonicContact NH1-OE1 2.77Å; R852-E856 PolarHBondContact NH1-OE1 3.09Å; R852-E856 IonicContact NH1-OE2 2.71Å; R852-E856 PolarHBondContact NH1-OE2 3.49Å; R852-E856 WeakPolarHBondContact O-CG 3.17Å; R852-E856 PolarHBondContact O-N 3.21Å
853	T	52.1	Low	48.8	Very low	70 Å²	70	80.9 Å²	80.9	43%	0.429	45%	0.447	S	S	.	.	H	α-helix	trans	-69.8	-40.8	-177.4	-53.1	0	0	0	0	111.2	E849 D850 A855 E856 D857	E849-T853 PolarHBondContact O-N 2.87Å; E849-T853 PolarHBondContact O-OG1 2.67Å; D850-T853 PolarHBondContact O-N 3Å; T853-A855 VanDerWaalsContact C-N 3.29Å; T853-A855 PolarHBondContact O-N 2.79Å; T853-E856 PolarHBondContact O-N 2.81Å; T853-D857 PolarHBondContact O-N 2.77Å
854	D	50.3	Low	48.6	Very low	112 Å²	112	78.8 Å²	78.8	60%	0.599	44%	0.438	S	S	*	.	H	α-helix	trans	-62.3	-35.2	172	-93.7	18.5	0	0	0	111.8	D850 L858	D850-D854 PolarHBondContact O-N 3.29Å; D854-L858 WeakPolarHBondContact O-CB 3.27Å; D854-L858 WeakPolarHBondContact O-CD1 3.14Å; D854-L858 VanDerWaalsContact O-CG 3.23Å; D854-L858 WeakPolarHBondContact O-CG 3.01Å; D854-L858 PolarHBondContact O-N 2.68Å
855	A	44.5	Very low	48.4	Very low	39 Å²	39	75.8 Å²	75.8	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-70.9	-36.6	175.2	0	0	0	0	0	113.2	Y770 D851 R852 T853 L859	Y770-A855 HydrophobicContact CE2-CB 4.41Å; D851-A855 WeakPolarHBondContact O-CB 3.01Å; D851-A855 PolarHBondContact O-N 2.79Å; D851-A855 VanDerWaalsContact O-N 3.08Å; R852-A855 PolarHBondContact O-N 3.34Å; T853-A855 VanDerWaalsContact C-N 3.29Å; T853-A855 PolarHBondContact O-N 2.79Å; A855-L859 PolarHBondContact O-N 2.73Å; A855-L859 VanDerWaalsContact O-N 3.13Å
856	E	46.8	Very low	48.1	Very low	69 Å²	69	78.9 Å²	78.9	32%	0.322	44%	0.443	S	S	.	.	H	α-helix	trans	-67.2	-44.5	174.6	-73.8	169.1	-170.5	0	0	111	Y770 R852 T853 L858 L859 D860	Y770-E856 WeakPolarHBondContact OH-CG 3.45Å; R852-E856 WeakPolarHBondContact CG-OE1 3.41Å; R852-E856 IonicContact CZ-OE1 3.06Å; R852-E856 IonicContact NH1-OE1 2.77Å; R852-E856 PolarHBondContact NH1-OE1 3.09Å; R852-E856 IonicContact NH1-OE2 2.71Å; R852-E856 PolarHBondContact NH1-OE2 3.49Å; R852-E856 WeakPolarHBondContact O-CG 3.17Å; R852-E856 PolarHBondContact O-N 3.21Å; T853-E856 PolarHBondContact O-N 2.81Å; E856-L858 PolarHBondContact O-N 2.99Å; E856-L859 WeakPolarHBondContact O-CB 3.49Å; E856-L859 PolarHBondContact O-N 2.9Å; E856-L859 VanDerWaalsContact O-N 3.14Å; E856-D860 PolarHBondContact O-N 2.83Å; E856-D860 VanDerWaalsContact O-N 3.1Å
857	D	49.3	Very low	47.9	Very low	93 Å²	93	83.7 Å²	83.7	50%	0.497	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-37.8	176.2	-166.5	76	0	0	0	112.2	T853 L859 D860 Q861	T853-D857 PolarHBondContact O-N 2.77Å; D857-L859 VanDerWaalsContact C-N 3.31Å; D857-L859 PolarHBondContact O-N 3.36Å; D857-D860 PolarHBondContact O-N 2.78Å; D857-Q861 WeakPolarHBondContact O-CB 3.34Å; D857-Q861 VanDerWaalsContact O-CG 3.26Å; D857-Q861 WeakPolarHBondContact O-CG 3.42Å; D857-Q861 PolarHBondContact O-N 2.71Å; D857-Q861 PolarHBondContact OD2-NE2 2.72Å
858	L	45	Very low	47.9	Very low	93 Å²	93	87.3 Å²	87.3	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-64.7	-31.3	172.5	-77.2	169.3	0	0	0	113.3	D854 E856 G862	D854-L858 WeakPolarHBondContact O-CB 3.27Å; D854-L858 WeakPolarHBondContact O-CD1 3.14Å; D854-L858 VanDerWaalsContact O-CG 3.23Å; D854-L858 WeakPolarHBondContact O-CG 3.01Å; D854-L858 PolarHBondContact O-N 2.68Å; E856-L858 PolarHBondContact O-N 2.99Å; L858-G862 PolarHBondContact O-N 2.68Å; L858-G862 VanDerWaalsContact O-N 3.08Å
859	L	46.7	Very low	47.7	Very low	85 Å²	85	90.8 Å²	90.8	45%	0.445	48%	0.477	S	S	.	.	H	α-helix	trans	-70.7	-43.5	175.9	-168	71.1	0	0	0	111	A855 E856 D857 G862 Q863	A855-L859 PolarHBondContact O-N 2.73Å; A855-L859 VanDerWaalsContact O-N 3.13Å; E856-L859 WeakPolarHBondContact O-CB 3.49Å; E856-L859 PolarHBondContact O-N 2.9Å; E856-L859 VanDerWaalsContact O-N 3.14Å; D857-L859 VanDerWaalsContact C-N 3.31Å; D857-L859 PolarHBondContact O-N 3.36Å; L859-G862 WeakPolarHBondContact O-CA 3.3Å; L859-G862 PolarHBondContact O-N 3.16Å; L859-G862 VanDerWaalsContact O-N 3.16Å; L859-Q863 PolarHBondContact O-N 2.88Å
860	D	49.8	Very low	47.6	Very low	94 Å²	94	89.9 Å²	89.9	50%	0.503	48%	0.475	S	S	.	.	H	α-helix	trans	-69.6	-35.6	176.9	-83.3	-0.2	0	0	0	112.4	E856 D857 G862 Q863 T864	E856-D860 PolarHBondContact O-N 2.83Å; E856-D860 VanDerWaalsContact O-N 3.1Å; D857-D860 PolarHBondContact O-N 2.78Å; D860-G862 VanDerWaalsContact C-N 3.3Å; D860-G862 PolarHBondContact O-N 3.47Å; D860-Q863 PolarHBondContact O-N 3.37Å; D860-Q863 PolarHBondContact OD1-NE2 3.23Å; D860-T864 WeakPolarHBondContact O-CB 3.15Å; D860-T864 PolarHBondContact O-N 3.26Å; D860-T864 PolarHBondContact O-OG1 2.88Å
861	Q	48.4	Very low	47.4	Very low	103 Å²	103	90.5 Å²	90.5	48%	0.481	47%	0.474	S	S	.	.	H	α-helix	trans	-59.1	-41.5	167.1	-73.7	177	37.7	0	0	111.3	D857 T864 A865	D857-Q861 WeakPolarHBondContact O-CB 3.34Å; D857-Q861 VanDerWaalsContact O-CG 3.26Å; D857-Q861 WeakPolarHBondContact O-CG 3.42Å; D857-Q861 PolarHBondContact O-N 2.71Å; D857-Q861 PolarHBondContact OD2-NE2 2.72Å; Q861-T864 PolarHBondContact O-N 2.92Å; Q861-A865 WeakPolarHBondContact O-CB 3.5Å; Q861-A865 PolarHBondContact O-N 2.73Å
862	G	45.6	Very low	47.4	Very low	35 Å²	35	89.7 Å²	89.7	36%	0.361	47%	0.469	S	S	.	.	H	α-helix	trans	-63.4	-41.9	175.8	0	0	0	0	0	113.6	L858 L859 D860 Q866	L858-G862 PolarHBondContact O-N 2.68Å; L858-G862 VanDerWaalsContact O-N 3.08Å; L859-G862 WeakPolarHBondContact O-CA 3.3Å; L859-G862 PolarHBondContact O-N 3.16Å; L859-G862 VanDerWaalsContact O-N 3.16Å; D860-G862 VanDerWaalsContact C-N 3.3Å; D860-G862 PolarHBondContact O-N 3.47Å; G862-Q866 PolarHBondContact O-N 3.38Å; G862-Q866 VanDerWaalsContact O-N 3.13Å
863	Q	47.9	Very low	47.2	Very low	96 Å²	96	89.8 Å²	89.8	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-66.9	-40.3	174	-69.3	-177.2	62.8	0	0	111.9	L859 D860 Q866 Q867	L859-Q863 PolarHBondContact O-N 2.88Å; D860-Q863 PolarHBondContact O-N 3.37Å; D860-Q863 PolarHBondContact OD1-NE2 3.23Å; Q863-Q866 WeakPolarHBondContact O-CB 3.44Å; Q863-Q866 PolarHBondContact O-N 2.93Å; Q863-Q867 PolarHBondContact O-N 3.46Å
864	T	48.9	Very low	47.2	Very low	75 Å²	75	90.5 Å²	90.5	46%	0.46	48%	0.475	S	S	.	.	H	α-helix	trans	-63	-46.9	177.3	-56.9	0	0	0	0	111.1	D860 Q861 Q866 Q867 E868	D860-T864 WeakPolarHBondContact O-CB 3.15Å; D860-T864 PolarHBondContact O-N 3.26Å; D860-T864 PolarHBondContact O-OG1 2.88Å; Q861-T864 PolarHBondContact O-N 2.92Å; T864-Q866 VanDerWaalsContact C-N 3.25Å; T864-Q866 PolarHBondContact O-N 3.38Å; T864-Q867 WeakPolarHBondContact O-CA 3.01Å; T864-Q867 WeakPolarHBondContact O-CB 3.36Å; T864-Q867 PolarHBondContact O-N 2.86Å; T864-E868 PolarHBondContact O-N 3.31Å
865	A	43.5	Very low	47	Very low	52 Å²	52	93.1 Å²	93.1	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-61.1	-32.6	174.8	0	0	0	0	0	112.7	Q861 F869	Q861-A865 WeakPolarHBondContact O-CB 3.5Å; Q861-A865 PolarHBondContact O-N 2.73Å; A865-F869 VanDerWaalsContact O-CB 3.32Å; A865-F869 WeakPolarHBondContact O-CB 3.49Å; A865-F869 PolarHBondContact O-N 3.19Å
866	Q	43.8	Very low	47.1	Very low	110 Å²	110	96.2 Å²	96.2	51%	0.514	49%	0.492	S	S	.	.	H	α-helix	trans	-68.6	-33.1	172.8	-174.6	173.3	82.6	0	0	112.3	G862 Q863 T864 N870	G862-Q866 PolarHBondContact O-N 3.38Å; G862-Q866 VanDerWaalsContact O-N 3.13Å; Q863-Q866 WeakPolarHBondContact O-CB 3.44Å; Q863-Q866 PolarHBondContact O-N 2.93Å; T864-Q866 VanDerWaalsContact C-N 3.25Å; T864-Q866 PolarHBondContact O-N 3.38Å; Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 3.37Å
867	Q	50.3	Low	47.1	Very low	135 Å²	135	100 Å²	100	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-70.6	-46.5	173.5	-66.5	-178.5	21.6	0	0	111.6	Q863 T864 F869 N870 E871	Q863-Q867 PolarHBondContact O-N 3.46Å; T864-Q867 WeakPolarHBondContact O-CA 3.01Å; T864-Q867 WeakPolarHBondContact O-CB 3.36Å; T864-Q867 PolarHBondContact O-N 2.86Å; Q867-F869 VanDerWaalsContact C-N 3.3Å; Q867-F869 PolarHBondContact O-N 3.24Å; Q867-N870 PolarHBondContact O-N 2.81Å; Q867-N870 VanDerWaalsContact O-N 3.12Å; Q867-E871 PolarHBondContact O-N 3.46Å
868	E	49.2	Very low	47.2	Very low	122 Å²	122	99.5 Å²	99.5	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-59.2	-39.9	175.4	-67.2	-171.8	146.1	0	0	112.2	T864 N870 E871 L872	T864-E868 PolarHBondContact O-N 3.31Å; E868-N870 PolarHBondContact O-N 3.47Å; E868-E871 PolarHBondContact O-N 2.95Å; E868-L872 WeakPolarHBondContact O-CG 3.19Å; E868-L872 PolarHBondContact O-N 3.39Å
869	F	42	Very low	47.3	Very low	124 Å²	124	97 Å²	97	54%	0.544	50%	0.496	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.5	179.9	-97.9	0	0	0	112.6	A865 Q867 L872 L873	A865-F869 VanDerWaalsContact O-CB 3.32Å; A865-F869 WeakPolarHBondContact O-CB 3.49Å; A865-F869 PolarHBondContact O-N 3.19Å; Q867-F869 VanDerWaalsContact C-N 3.3Å; Q867-F869 PolarHBondContact O-N 3.24Å; F869-L872 PolarHBondContact O-N 3.04Å; F869-L873 PolarHBondContact O-N 2.68Å
870	N	47.3	Very low	47.2	Very low	84 Å²	84	99.1 Å²	99.1	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-67	-37.9	175.6	-75.1	-47.4	0	0	0	112	Q866 Q867 E868 L873 D874	Q866-N870 PolarHBondContact O-N 3.46Å; Q866-N870 PolarHBondContact O-ND2 3.37Å; Q867-N870 PolarHBondContact O-N 2.81Å; Q867-N870 VanDerWaalsContact O-N 3.12Å; E868-N870 PolarHBondContact O-N 3.47Å; N870-L873 WeakPolarHBondContact O-CB 3.25Å; N870-L873 PolarHBondContact O-N 2.97Å; N870-D874 PolarHBondContact O-N 2.9Å; N870-D874 VanDerWaalsContact O-N 3.15Å
871	E	48.5	Very low	47.1	Very low	129 Å²	129	97.6 Å²	97.6	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-65.9	-41.8	175.3	-168.7	179.6	-165.9	0	0	111.7	Q867 E868 L873 D874 R875	Q867-E871 PolarHBondContact O-N 3.46Å; E868-E871 PolarHBondContact O-N 2.95Å; E871-L873 VanDerWaalsContact C-N 3.29Å; E871-L873 PolarHBondContact O-N 2.04Å; E871-D874 PolarHBondContact O-N 3.09Å; E871-R875 WeakPolarHBondContact O-CG 3.44Å; E871-R875 PolarHBondContact O-N 3.49Å
872	L	45.4	Very low	47.2	Very low	99 Å²	99	99.1 Å²	99.1	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-59.3	-39.6	171.8	-74.5	166.9	0	0	0	111.9	E868 F869 D874 R875 V876	E868-L872 WeakPolarHBondContact O-CG 3.19Å; E868-L872 PolarHBondContact O-N 3.39Å; F869-L872 PolarHBondContact O-N 3.04Å; L872-D874 PolarHBondContact O-N 3.35Å; L872-R875 PolarHBondContact O-N 2.84Å; L872-V876 WeakPolarHBondContact O-CG2 3.47Å; L872-V876 PolarHBondContact O-N 3.36Å
873	L	46.5	Very low	47.2	Very low	66 Å²	66	100 Å²	100	35%	0.346	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-39.8	177.2	-158.2	74.9	0	0	0	112.3	F869 N870 E871 V876 R877	F869-L873 PolarHBondContact O-N 2.68Å; N870-L873 WeakPolarHBondContact O-CB 3.25Å; N870-L873 PolarHBondContact O-N 2.97Å; E871-L873 VanDerWaalsContact C-N 3.29Å; E871-L873 PolarHBondContact O-N 2.04Å; L873-V876 PolarHBondContact O-N 2.85Å; L873-R877 WeakPolarHBondContact O-CD 3.34Å; L873-R877 WeakPolarHBondContact O-CG 3.43Å; L873-R877 PolarHBondContact O-N 2.68Å; L873-R877 VanDerWaalsContact O-N 3.08Å
874	D	51.5	Low	47.1	Very low	85 Å²	85	99.1 Å²	99.1	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-75.1	-30.2	175.2	-91.8	-7.2	0	0	0	113.5	N870 E871 L872 R877 T878	N870-D874 PolarHBondContact O-N 2.9Å; N870-D874 VanDerWaalsContact O-N 3.15Å; E871-D874 PolarHBondContact O-N 3.09Å; L872-D874 PolarHBondContact O-N 3.35Å; D874-R877 PolarHBondContact O-N 3.47Å; D874-R877 WeakPolarHBondContact OD1-CD 3.27Å; D874-R877 IonicContact OD1-CZ 3.83Å; D874-R877 IonicContact OD1-NE 2.86Å; D874-R877 IonicContact OD1-NH1 2.78Å; D874-R877 PolarHBondContact OD1-NH1 3.44Å; D874-T878 WeakPolarHBondContact O-CB 3.08Å; D874-T878 PolarHBondContact O-N 3.41Å; D874-T878 PolarHBondContact O-OG1 3.26Å
875	R	46.8	Very low	47.1	Very low	167 Å²	167	103.2 Å²	103.2	63%	0.63	52%	0.518	S	S	*	.	H	α-helix	trans	-64.6	-39.8	169.6	-68.5	174.2	76.3	177.3	3.8	111.6	E871 L872 T878 A879	E871-R875 WeakPolarHBondContact O-CG 3.44Å; E871-R875 PolarHBondContact O-N 3.49Å; L872-R875 PolarHBondContact O-N 2.84Å; R875-T878 PolarHBondContact O-N 2.86Å; R875-A879 PolarHBondContact O-N 3.27Å
876	V	45.1	Very low	47.3	Very low	104 Å²	104	103.6 Å²	103.6	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-64.8	-41.7	173.1	171.1	0	0	0	0	111.8	L872 L873 T878 K880	L872-V876 WeakPolarHBondContact O-CG2 3.47Å; L872-V876 PolarHBondContact O-N 3.36Å; L873-V876 PolarHBondContact O-N 2.85Å; V876-T878 VanDerWaalsContact C-N 3.31Å; V876-T878 PolarHBondContact O-N 3.1Å; V876-K880 PolarHBondContact O-N 3.32Å; V876-K880 VanDerWaalsContact O-N 3.08Å
877	R	47	Very low	47.4	Very low	149 Å²	149	104 Å²	104	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-61.6	-39	173.8	-71.3	158.3	176.2	175.4	3.8	112	L873 D874 A881	L873-R877 WeakPolarHBondContact O-CD 3.34Å; L873-R877 WeakPolarHBondContact O-CG 3.43Å; L873-R877 PolarHBondContact O-N 2.68Å; L873-R877 VanDerWaalsContact O-N 3.08Å; D874-R877 PolarHBondContact O-N 3.47Å; D874-R877 WeakPolarHBondContact OD1-CD 3.27Å; D874-R877 IonicContact OD1-CZ 3.83Å; D874-R877 IonicContact OD1-NE 2.86Å; D874-R877 IonicContact OD1-NH1 2.78Å; D874-R877 PolarHBondContact OD1-NH1 3.44Å; R877-A881 PolarHBondContact O-N 3.27Å; R877-A881 VanDerWaalsContact O-N 3.15Å
878	T	51.3	Low	47.3	Very low	82 Å²	82	105.7 Å²	105.7	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-66.8	-49.5	178.1	-56.4	0	0	0	0	111.6	D874 R875 V876 K880 A881 E882	D874-T878 WeakPolarHBondContact O-CB 3.08Å; D874-T878 PolarHBondContact O-N 3.41Å; D874-T878 PolarHBondContact O-OG1 3.26Å; R875-T878 PolarHBondContact O-N 2.86Å; V876-T878 VanDerWaalsContact C-N 3.31Å; V876-T878 PolarHBondContact O-N 3.1Å; T878-K880 VanDerWaalsContact C-N 3.26Å; T878-K880 PolarHBondContact O-N 3.22Å; T878-A881 WeakPolarHBondContact O-CB 3.31Å; T878-A881 PolarHBondContact O-N 3.34Å; T878-E882 PolarHBondContact O-N 3.18Å; T878-E882 VanDerWaalsContact O-N 3.15Å
879	A	46.8	Very low	47.2	Very low	40 Å²	40	104.6 Å²	104.6	33%	0.331	54%	0.539	S	S	.	.	H	α-helix	trans	-59.8	-35.6	177.2	0	0	0	0	0	112.7	R875 E882 T883	R875-A879 PolarHBondContact O-N 3.27Å; A879-E882 PolarHBondContact O-N 3.4Å; A879-T883 PolarHBondContact O-N 2.95Å; A879-T883 PolarHBondContact O-OG1 3.4Å
880	K	44.8	Very low	47.4	Very low	130 Å²	130	103.6 Å²	103.6	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-44.7	172.6	-176.1	174.6	179.1	176.5	0	112.2	V876 T878 E882 T883 D884	V876-K880 PolarHBondContact O-N 3.32Å; V876-K880 VanDerWaalsContact O-N 3.08Å; T878-K880 VanDerWaalsContact C-N 3.26Å; T878-K880 PolarHBondContact O-N 3.22Å; K880-E882 VanDerWaalsContact C-N 3.27Å; K880-E882 PolarHBondContact O-N 3.02Å; K880-T883 WeakPolarHBondContact O-CB 3.2Å; K880-T883 PolarHBondContact O-N 2.85Å; K880-T883 VanDerWaalsContact O-N 3.09Å; K880-D884 PolarHBondContact O-N 2.96Å
881	A	49.6	Very low	47.6	Very low	62 Å²	62	101.6 Å²	101.6	51%	0.512	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-30.3	178.7	0	0	0	0	0	113.1	R877 T878 K885	R877-A881 PolarHBondContact O-N 3.27Å; R877-A881 VanDerWaalsContact O-N 3.15Å; T878-A881 WeakPolarHBondContact O-CB 3.31Å; T878-A881 PolarHBondContact O-N 3.34Å; A881-K885 PolarHBondContact O-N 3.1Å
882	E	49.3	Very low	47.5	Very low	135 Å²	135	102.1 Å²	102.1	63%	0.631	56%	0.557	S	S	*	*	H	α-helix	trans	-74	-37.1	171.1	-63.4	-167.8	131.4	0	0	112.3	T878 A879 K880 K885 A886	T878-E882 PolarHBondContact O-N 3.18Å; T878-E882 VanDerWaalsContact O-N 3.15Å; A879-E882 PolarHBondContact O-N 3.4Å; K880-E882 VanDerWaalsContact C-N 3.27Å; K880-E882 PolarHBondContact O-N 3.02Å; E882-K885 VanDerWaalsContact O-CB 3.22Å; E882-K885 WeakPolarHBondContact O-CB 3.42Å; E882-K885 PolarHBondContact O-N 3.09Å; E882-A886 PolarHBondContact O-N 3.31Å
883	T	45.3	Very low	47.8	Very low	53 Å²	53	104.8 Å²	104.8	33%	0.325	57%	0.572	S	S	.	*	H	α-helix	trans	-63.3	-46	175.7	-54.6	0	0	0	0	111.8	A879 K880 K885 A886 L887	A879-T883 PolarHBondContact O-N 2.95Å; A879-T883 PolarHBondContact O-OG1 3.4Å; K880-T883 WeakPolarHBondContact O-CB 3.2Å; K880-T883 PolarHBondContact O-N 2.85Å; K880-T883 VanDerWaalsContact O-N 3.09Å; T883-K885 PolarHBondContact O-N 3.22Å; T883-A886 PolarHBondContact O-N 2.85Å; T883-L887 HydrophobicContact CG2-CD1 4.4Å; T883-L887 PolarHBondContact O-N 3.12Å; T883-L887 VanDerWaalsContact O-N 3.1Å
884	D	46.2	Very low	47.9	Very low	78 Å²	78	109.2 Å²	109.2	42%	0.417	60%	0.596	S	S	.	*	H	α-helix	trans	-61.1	-29.2	175.1	-71	-31.4	0	0	0	111.8	K880 Q888	K880-D884 PolarHBondContact O-N 2.96Å; D884-Q888 WeakPolarHBondContact O-CG 3.47Å; D884-Q888 PolarHBondContact O-N 2.96Å
885	K	49.8	Very low	48	Very low	162 Å²	162	112 Å²	112	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-74	-38.5	176.7	-144.5	175.2	-170.3	175.6	0	112.5	A881 E882 T883	A881-K885 PolarHBondContact O-N 3.1Å; E882-K885 VanDerWaalsContact O-CB 3.22Å; E882-K885 WeakPolarHBondContact O-CB 3.42Å; E882-K885 PolarHBondContact O-N 3.09Å; T883-K885 PolarHBondContact O-N 3.22Å
886	A	46.9	Very low	48.1	Very low	59 Å²	59	110.3 Å²	110.3	49%	0.488	61%	0.614	S	S	.	*	H	α-helix	trans	-66.2	-43.5	174.6	0	0	0	0	0	111.4	E882 T883 Q888 S889	E882-A886 PolarHBondContact O-N 3.31Å; T883-A886 PolarHBondContact O-N 2.85Å; A886-Q888 PolarHBondContact O-N 2.96Å; A886-S889 WeakPolarHBondContact O-CB 3.12Å; A886-S889 PolarHBondContact O-N 2.85Å; A886-S889 PolarHBondContact O-OG 2.68Å
887	L	45.9	Very low	48.2	Very low	119 Å²	119	111.5 Å²	111.5	62%	0.623	62%	0.616	S	S	*	*	H	α-helix	trans	-59.4	-30.3	179.4	-75.5	165.7	0	0	0	113.6	T883 S889	T883-L887 HydrophobicContact CG2-CD1 4.4Å; T883-L887 PolarHBondContact O-N 3.12Å; T883-L887 VanDerWaalsContact O-N 3.1Å; L887-S889 PolarHBondContact O-N 3.27Å
888	Q	48.1	Very low	48.2	Very low	171 Å²	171	110.5 Å²	110.5	80%	0.799	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-9.8	176.3	-71.3	178.4	16.4	0	0	114.4	D884 A886	D884-Q888 WeakPolarHBondContact O-CG 3.47Å; D884-Q888 PolarHBondContact O-N 2.96Å; A886-Q888 PolarHBondContact O-N 2.96Å
889	S	47	Very low	48.2	Very low	98 Å²	98	109.8 Å²	109.8	69%	0.685	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-8.7	-176.7	71.6	0	0	0	0	115.2	A886 L887 G891	A886-S889 WeakPolarHBondContact O-CB 3.12Å; A886-S889 PolarHBondContact O-N 2.85Å; A886-S889 PolarHBondContact O-OG 2.68Å; L887-S889 PolarHBondContact O-N 3.27Å; S889-G891 PolarHBondContact O-N 3.35Å
890	V	46	Very low	48.2	Very low	103 Å²	103	111 Å²	111	62%	0.624	62%	0.618	S	S	*	*			trans	-80.9	85.1	-171.2	-172	0	0	0	0	111.9
891	G	52.3	Low	48.3	Very low	43 Å²	43	108.5 Å²	108.5	44%	0.443	62%	0.617	S	S	.	*			trans	-71.3	156.9	164.9	0	0	0	0	0	112.4	S889 N893	S889-G891 PolarHBondContact O-N 3.35Å; G891-N893 PolarHBondContact O-N 2.78Å
892	P	45.2	Very low	48.3	Very low	140 Å²	140	110.7 Å²	110.7	91%	0.909	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	23.6	-162	32.6	-39.5	0	0	0	116
893	N	52.6	Low	48.2	Very low	155 Å²	155	109.6 Å²	109.6	83%	0.829	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.9	14.4	-164.4	-130.4	35.8	0	0	0	116.9	G891	G891-N893 PolarHBondContact O-N 2.78Å
894	N	48.3	Very low	48	Very low	158 Å²	158	115.9 Å²	115.9	85%	0.845	64%	0.64	S	S	*	*	S	Bend	trans	-122.6	159.8	176.2	-85.6	1.9	0	0	0	111.9
895	D	54.1	Low	48.1	Very low	144 Å²	144	114.4 Å²	114.4	77%	0.77	64%	0.644	S	S	*	*			trans	-67.3	142.3	-159.5	-80	-58.3	0	0	0	117.1
896	L	47.6	Very low	48	Very low	132 Å²	132	111 Å²	111	69%	0.691	63%	0.629	S	S	*	*	H	α-helix	trans	-75.8	-29.7	-173.8	-170.5	63.9	0	0	0	113.5	T899 L900	L896-T899 PolarHBondContact O-N 3.45Å; L896-L900 PolarHBondContact O-N 3.08Å
897	D	47.3	Very low	47.7	Very low	128 Å²	128	114.3 Å²	114.3	68%	0.684	64%	0.639	S	S	*	*	H	α-helix	trans	-69.2	-34.9	-171.2	-81	-26.8	0	0	0	113.8	T899 L900 S901	D897-T899 VanDerWaalsContact C-N 3.34Å; D897-T899 PolarHBondContact O-N 3.26Å; D897-L900 WeakPolarHBondContact O-CB 3.42Å; D897-L900 PolarHBondContact O-N 3.49Å; D897-L900 VanDerWaalsContact O-N 3.13Å; D897-S901 PolarHBondContact O-N 2.99Å
898	D	48.3	Very low	47.6	Very low	128 Å²	128	114.7 Å²	114.7	68%	0.684	64%	0.637	S	S	*	*	H	α-helix	trans	-70.4	-34.7	-178.6	-148.1	35.8	0	0	0	111.3	L900 S901 T902	D898-L900 VanDerWaalsContact C-N 3.34Å; D898-S901 WeakPolarHBondContact O-CB 3.19Å; D898-S901 PolarHBondContact O-N 2.81Å; D898-T902 PolarHBondContact O-N 2.94Å; D898-T902 PolarHBondContact O-OG1 2.9Å; D898-T902 VanDerWaalsContact O-OG1 3.13Å
899	T	51.4	Low	47.4	Very low	67 Å²	67	113.1 Å²	113.1	41%	0.411	63%	0.63	S	S	.	*	H	α-helix	trans	-64.2	-39.9	169.8	-54.3	0	0	0	0	111.1	L896 D897 T902 L903	L896-T899 PolarHBondContact O-N 3.45Å; D897-T899 VanDerWaalsContact C-N 3.34Å; D897-T899 PolarHBondContact O-N 3.26Å; T899-T902 PolarHBondContact O-N 3.04Å; T899-L903 HydrophobicContact CG2-CD1 4.23Å; T899-L903 WeakPolarHBondContact O-CG 3.03Å; T899-L903 PolarHBondContact O-N 3.08Å
900	L	46.7	Very low	47.5	Very low	65 Å²	65	113.2 Å²	113.2	34%	0.34	62%	0.622	S	S	.	*	H	α-helix	trans	-72.6	-28.9	-178.3	-146.3	156.5	0	0	0	112.4	L896 D897 D898	L896-L900 PolarHBondContact O-N 3.08Å; D897-L900 WeakPolarHBondContact O-CB 3.42Å; D897-L900 PolarHBondContact O-N 3.49Å; D897-L900 VanDerWaalsContact O-N 3.13Å; D898-L900 VanDerWaalsContact C-N 3.34Å
901	S	46.8	Very low	47.1	Very low	78 Å²	78	111.9 Å²	111.9	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-62.6	-51.6	169.3	-172.1	0	0	0	0	111.4	D897 D898 L903 R904	D897-S901 PolarHBondContact O-N 2.99Å; D898-S901 WeakPolarHBondContact O-CB 3.19Å; D898-S901 PolarHBondContact O-N 2.81Å; S901-L903 PolarHBondContact O-N 3.22Å; S901-R904 PolarHBondContact O-N 3.1Å
902	T	49.8	Very low	46.6	Very low	108 Å²	108	114.5 Å²	114.5	66%	0.663	62%	0.62	S	S	*	*	H	α-helix	trans	-62	-42.8	-175.9	-53.2	0	0	0	0	112.3	D898 T899 R904 G905	D898-T902 PolarHBondContact O-N 2.94Å; D898-T902 PolarHBondContact O-OG1 2.9Å; D898-T902 VanDerWaalsContact O-OG1 3.13Å; T899-T902 PolarHBondContact O-N 3.04Å; T902-R904 VanDerWaalsContact C-N 3.28Å; T902-R904 PolarHBondContact O-N 3.1Å; T902-G905 PolarHBondContact O-N 3.02Å
903	L	46.3	Very low	46.4	Very low	113 Å²	113	111.8 Å²	111.8	59%	0.592	61%	0.605	S	S	*	*	H	α-helix	trans	-62.8	-29.7	179.8	-73.7	166.4	0	0	0	113.7	T899 S901 G905 F906 D907	T899-L903 HydrophobicContact CG2-CD1 4.23Å; T899-L903 WeakPolarHBondContact O-CG 3.03Å; T899-L903 PolarHBondContact O-N 3.08Å; S901-L903 PolarHBondContact O-N 3.22Å; L903-G905 VanDerWaalsContact C-N 3.34Å; L903-G905 PolarHBondContact O-N 3.12Å; L903-F906 PolarHBondContact O-N 2.74Å; L903-D907 PolarHBondContact O-N 3.49Å
904	R	42.4	Very low	45.8	Very low	184 Å²	184	111.7 Å²	111.7	69%	0.694	60%	0.597	S	S	*	*	H	α-helix	trans	-72.4	-24.2	178.2	-74.2	176.2	175.5	160.6	2.3	113.7	S901 T902 F906	S901-R904 PolarHBondContact O-N 3.1Å; T902-R904 VanDerWaalsContact C-N 3.28Å; T902-R904 PolarHBondContact O-N 3.1Å; R904-F906 VanDerWaalsContact C-N 3.3Å
905	G	48.2	Very low	45.3	Very low	48 Å²	48	107.9 Å²	107.9	50%	0.495	59%	0.588	S	S	.	*	H	α-helix	trans	-70.6	-28.1	173.5	0	0	0	0	0	113.1	T902 L903	T902-G905 PolarHBondContact O-N 3.02Å; L903-G905 VanDerWaalsContact C-N 3.34Å; L903-G905 PolarHBondContact O-N 3.12Å
906	F	47.5	Very low	44.5	Very low	91 Å²	91	108.2 Å²	108.2	40%	0.399	59%	0.585	S	S	.	*	H	α-helix	trans	-80	-40.3	-175.8	-160	-107.5	0	0	0	112.6	L903 R904 Q908 Q909 I910	L903-F906 PolarHBondContact O-N 2.74Å; R904-F906 VanDerWaalsContact C-N 3.3Å; F906-Q908 VanDerWaalsContact C-N 3.26Å; F906-Q908 PolarHBondContact O-N 3.31Å; F906-Q909 PolarHBondContact O-N 2.89Å; F906-I910 HydrophobicContact CD1-CD1 3.79Å; F906-I910 HydrophobicContact CE1-CD1 3.53Å; F906-I910 HydrophobicContact CZ-CD1 4.3Å; F906-I910 PolarHBondContact O-N 3.18Å
907	D	40.6	Very low	43.9	Very low	128 Å²	128	104.2 Å²	104.2	68%	0.684	57%	0.571	S	S	*	*	H	α-helix	trans	-60.7	-35.8	-179.3	-152.4	40.4	0	0	0	112.1	L903 Q909 S911	L903-D907 PolarHBondContact O-N 3.49Å; D907-Q909 PolarHBondContact O-N 3.2Å; D907-S911 PolarHBondContact O-N 3.17Å
908	Q	43.5	Very low	43.4	Very low	126 Å²	126	102.3 Å²	102.3	59%	0.589	56%	0.56	S	S	*	*	H	α-helix	trans	-64.1	-38.6	177.3	-168.2	66.8	66.4	0	0	112.7	F906	F906-Q908 VanDerWaalsContact C-N 3.26Å; F906-Q908 PolarHBondContact O-N 3.31Å
909	Q	43.8	Very low	43.1	Very low	139 Å²	139	101 Å²	101	65%	0.65	55%	0.55	S	S	*	*	H	α-helix	trans	-76	-29.1	-177.4	-68.3	-174.5	-33.1	0	0	113.1	F906 D907 S911	F906-Q909 PolarHBondContact O-N 2.89Å; D907-Q909 PolarHBondContact O-N 3.2Å; Q909-S911 VanDerWaalsContact C-N 3.33Å
910	I	47.9	Very low	42.4	Very low	100 Å²	100	98.8 Å²	98.8	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-76.7	-23.2	177.8	-68.8	177.7	0	0	0	111.8	F906	F906-I910 HydrophobicContact CD1-CD1 3.79Å; F906-I910 HydrophobicContact CE1-CD1 3.53Å; F906-I910 HydrophobicContact CZ-CD1 4.3Å; F906-I910 PolarHBondContact O-N 3.18Å
911	S	39.5	Very low	42.1	Very low	74 Å²	74	98.6 Å²	98.6	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-38.6	176.6	-173.3	0	0	0	0	113	D907 Q909	D907-S911 PolarHBondContact O-N 3.17Å; Q909-S911 VanDerWaalsContact C-N 3.33Å
912	D	41	Very low	41.8	Very low	98 Å²	98	101.8 Å²	101.8	52%	0.524	54%	0.542	S	S	.	.	H	α-helix	trans	-76.1	-51.2	-168	-65	-19.8	0	0	0	111.8	K914 A915	D912-K914 PolarHBondContact O-N 3.44Å; D912-A915 PolarHBondContact O-N 3.23Å; D912-A915 VanDerWaalsContact O-N 3.08Å
913	S	40.8	Very low	41.4	Very low	84 Å²	84	99.9 Å²	99.9	59%	0.587	52%	0.522	S	S	*	.	H	α-helix	trans	-63.4	-11	178.2	-55.2	0	0	0	0	114.6
914	K	39.5	Very low	41	Very low	152 Å²	152	99 Å²	99	66%	0.661	52%	0.517	S	S	*	.	H	α-helix	trans	-79.3	-29.2	175.7	-171.4	173.1	179.9	177.7	0	112.6	D912 E916	D912-K914 PolarHBondContact O-N 3.44Å; K914-E916 VanDerWaalsContact C-N 3.35Å
915	A	39.3	Very low	40.8	Very low	79 Å²	79	95.1 Å²	95.1	65%	0.653	52%	0.516	S	S	*	.	H	α-helix	trans	-70.8	-31.8	-177.6	0	0	0	0	0	112.7	D912	D912-A915 PolarHBondContact O-N 3.23Å; D912-A915 VanDerWaalsContact O-N 3.08Å
916	E	37.3	Very low	40.3	Very low	151 Å²	151	97.6 Å²	97.6	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-75.6	-27.6	-175.3	-61.5	170.8	141.7	0	0	112.3	K914 D918	K914-E916 VanDerWaalsContact C-N 3.35Å; E916-D918 PolarHBondContact O-N 2.74Å
917	A	35	Very low	39.8	Very low	48 Å²	48	96.5 Å²	96.5	40%	0.397	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-6.5	-171.9	0	0	0	0	0	115.9	K755	K755-A917 WeakPolarHBondContact CE-O 3.27Å; K755-A917 PolarHBondContact NZ-O 2.95Å; K755-A917 VanDerWaalsContact NZ-O 3.09Å
918	D	36.2	Very low	39.5	Very low	87 Å²	87	95.6 Å²	95.6	47%	0.465	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-11.7	-175.5	-80.2	-16	0	0	0	114.5	K755 E916	K755-D918 IonicContact NZ-OD1 2.73Å; K755-D918 PolarHBondContact NZ-OD1 3Å; E916-D918 PolarHBondContact O-N 2.74Å
919	E	41.2	Very low	39.2	Very low	101 Å²	101	91.7 Å²	91.7	47%	0.472	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-33	178.6	-172.2	58.7	-171.3	0	0	112.8	T751 I921 K922	T751-E919 HydrophobicContact CG2-CG 3.89Å; E919-I921 PolarHBondContact O-N 3.08Å; E919-I921 VanDerWaalsContact O-N 3.15Å; E919-K922 IonicContact OE2-NZ 3.15Å; E919-K922 PolarHBondContact OE2-NZ 3.12Å
920	A	36.8	Very low	38.8	Very low	21 Å²	21	89.6 Å²	89.6	17%	0.174	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.4	-174.4	0	0	0	0	0	115.7	L752 M753	L752-A920 CarbonylContact C-O 3.53Å; L752-A920 VanDerWaalsContact CA-O 3.28Å; L752-A920 WeakPolarHBondContact CA-O 3.14Å; M753-A920 PolarHBondContact N-O 3.14Å; M753-A920 WeakPolarHBondContact O-CB 3.44Å
921	I	39.8	Very low	38.4	Very low	61 Å²	61	88.8 Å²	88.8	31%	0.313	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-23.3	-172	-56.3	163.5	0	0	0	112.3	K755 E919 R923	K755-I921 HydrophobicContact CD-CD1 3.67Å; K755-I921 HydrophobicContact CD-CG1 4.01Å; E919-I921 PolarHBondContact O-N 3.08Å; E919-I921 VanDerWaalsContact O-N 3.15Å; I921-R923 PolarHBondContact O-N 3.01Å
922	K	41.6	Very low	38.3	Very low	144 Å²	144	91.9 Å²	91.9	63%	0.626	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-19.5	-152.3	-82.2	173.9	-174.8	154	0	117.8	E919	E919-K922 IonicContact OE2-NZ 3.15Å; E919-K922 PolarHBondContact OE2-NZ 3.12Å
923	R	42	Very low	38.2	Very low	68 Å²	68	89.8 Å²	89.8	26%	0.257	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	9.3	-166.3	-26.4	168	160.8	167.1	-4.3	116.6	D747 L748 T751 L752 I921 P925 N926	D747-R923 PolarHBondContact O-NH1 3.1Å; L748-R923 WeakPolarHBondContact O-CD 3.5Å; L748-R923 PolarHBondContact O-NH1 2.91Å; T751-R923 VanDerWaalsContact OG1-CZ 3.23Å; T751-R923 PolarHBondContact OG1-NH1 3.44Å; T751-R923 VanDerWaalsContact OG1-NH1 3.17Å; T751-R923 PolarHBondContact OG1-NH2 3.11Å; T751-R923 VanDerWaalsContact OG1-NH2 3.15Å; L752-R923 HydrophobicContact CD1-CB 3.77Å; L752-R923 HydrophobicContact CG-CB 3.75Å; L752-R923 HydrophobicContact CG-CG 4.41Å; I921-R923 PolarHBondContact O-N 3.01Å; R923-P925 WeakPolarHBondContact O-CD 3.37Å; R923-P925 VanDerWaalsContact O-N 3.14Å; R923-N926 PolarHBondContact O-N 3.19Å
924	L	37.3	Very low	38	Very low	94 Å²	94	88 Å²	88	49%	0.492	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-35.3	-177.7	-79.4	166.9	0	0	0	117.6	L752 N926	L752-L924 HydrophobicContact CD2-CB 4.39Å; L752-L924 HydrophobicContact CD2-CD2 3.65Å; L752-L924 HydrophobicContact CD2-CG 3.84Å; L924-N926 VanDerWaalsContact C-N 3.34Å; L924-N926 PolarHBondContact O-N 3.47Å
925	P	39	Very low	38	Very low	103 Å²	103	85.9 Å²	85.9	67%	0.669	49%	0.489	S	S	*	.	H	α-helix	trans	-63.1	-30.1	-177	-27.1	36.8	0	0	0	115.9	R923	R923-P925 WeakPolarHBondContact O-CD 3.37Å; R923-P925 VanDerWaalsContact O-N 3.14Å
926	N	37.8	Very low	38.1	Very low	100 Å²	100	84.2 Å²	84.2	54%	0.535	48%	0.48	S	S	.	.	H	α-helix	trans	-74.5	-32.5	-170.6	-79.6	-0.6	0	0	0	113.7	R923 L924 N928 G929 T930	R923-N926 PolarHBondContact O-N 3.19Å; L924-N926 VanDerWaalsContact C-N 3.34Å; L924-N926 PolarHBondContact O-N 3.47Å; N926-N928 VanDerWaalsContact C-N 3.27Å; N926-N928 PolarHBondContact O-N 3.42Å; N926-G929 PolarHBondContact O-N 2.73Å; N926-T930 PolarHBondContact O-N 3.07Å; N926-T930 PolarHBondContact O-OG1 3.03Å
927	I	36.2	Very low	38.2	Very low	68 Å²	68	83.9 Å²	83.9	35%	0.349	48%	0.476	S	S	.	.	H	α-helix	trans	-56	-43.4	-177.7	-62.9	170.7	0	0	0	111.1	L752 G929 T930 I931	L752-I927 HydrophobicContact CD1-CD1 3.74Å; L752-I927 HydrophobicContact CD1-CG1 3.93Å; L752-I927 HydrophobicContact CD2-CD1 3.49Å; L752-I927 VanDerWaalsContact CD2-CD1 3.49Å; L752-I927 HydrophobicContact CD2-CG1 4.41Å; L752-I927 HydrophobicContact CG-CD1 4.22Å; I927-G929 PolarHBondContact O-N 3.31Å; I927-T930 PolarHBondContact O-N 3.43Å; I927-I931 HydrophobicContact CG2-CD1 3.79Å; I927-I931 HydrophobicContact CG2-CG1 4.38Å; I927-I931 WeakPolarHBondContact O-CG1 3.34Å; I927-I931 PolarHBondContact O-N 3.31Å; I927-I931 VanDerWaalsContact O-N 3.12Å
928	N	35	Very low	38.3	Very low	110 Å²	110	86.8 Å²	86.8	59%	0.588	49%	0.485	S	S	*	.	H	α-helix	trans	-63.8	-27.4	-178.3	-174.2	78.8	0	0	0	113	N926	N926-N928 VanDerWaalsContact C-N 3.27Å; N926-N928 PolarHBondContact O-N 3.42Å
929	G	37.1	Very low	38.6	Very low	43 Å²	43	84.9 Å²	84.9	44%	0.443	49%	0.486	S	S	.	.	H	α-helix	trans	-74.8	-44.8	173	0	0	0	0	0	112.4	N926 I927 I931 Q932 A933	N926-G929 PolarHBondContact O-N 2.73Å; I927-G929 PolarHBondContact O-N 3.31Å; G929-I931 PolarHBondContact O-N 3.07Å; G929-Q932 PolarHBondContact O-N 2.92Å; G929-A933 PolarHBondContact O-N 3.08Å; G929-A933 VanDerWaalsContact O-N 3.08Å
930	T	35.7	Very low	38.5	Very low	95 Å²	95	86.5 Å²	86.5	58%	0.583	49%	0.494	S	S	*	.	H	α-helix	trans	-63	-39.3	-178.6	-51	0	0	0	0	112.4	N926 I927 A933 A934	N926-T930 PolarHBondContact O-N 3.07Å; N926-T930 PolarHBondContact O-OG1 3.03Å; I927-T930 PolarHBondContact O-N 3.43Å; T930-A933 PolarHBondContact O-N 3.38Å; T930-A934 PolarHBondContact O-N 2.74Å
931	I	37.6	Very low	38.5	Very low	83 Å²	83	88 Å²	88	43%	0.426	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177.8	-66.5	170.6	0	0	0	111.2	I927 G929 A933 A934 V935	I927-I931 HydrophobicContact CG2-CD1 3.79Å; I927-I931 HydrophobicContact CG2-CG1 4.38Å; I927-I931 WeakPolarHBondContact O-CG1 3.34Å; I927-I931 PolarHBondContact O-N 3.31Å; I927-I931 VanDerWaalsContact O-N 3.12Å; G929-I931 PolarHBondContact O-N 3.07Å; I931-A933 VanDerWaalsContact C-N 3.32Å; I931-A933 PolarHBondContact O-N 3.18Å; I931-A934 PolarHBondContact O-N 2.7Å; I931-V935 WeakPolarHBondContact O-CG2 3.32Å; I931-V935 PolarHBondContact O-N 3.4Å
932	Q	38.5	Very low	38.6	Very low	140 Å²	140	89.3 Å²	89.3	65%	0.654	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-33.9	177.1	-67	-170.4	-5.6	0	0	112.3	G929 G936	G929-Q932 PolarHBondContact O-N 2.92Å; Q932-G936 PolarHBondContact O-N 3.43Å; Q932-G936 VanDerWaalsContact O-N 3.16Å
933	A	38.8	Very low	38.6	Very low	54 Å²	54	86.1 Å²	86.1	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-67.9	-36.9	172.7	0	0	0	0	0	112.8	G929 T930 I931 G936 K937	G929-A933 PolarHBondContact O-N 3.08Å; G929-A933 VanDerWaalsContact O-N 3.08Å; T930-A933 PolarHBondContact O-N 3.38Å; I931-A933 VanDerWaalsContact C-N 3.32Å; I931-A933 PolarHBondContact O-N 3.18Å; A933-G936 PolarHBondContact O-N 2.88Å; A933-K937 WeakPolarHBondContact O-CG 3.08Å; A933-K937 PolarHBondContact O-N 3.04Å
934	A	36.9	Very low	38.4	Very low	47 Å²	47	87.6 Å²	87.6	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-65.8	-44.9	175.9	0	0	0	0	0	111.8	T930 I931 G936 K937 N938	T930-A934 PolarHBondContact O-N 2.74Å; I931-A934 PolarHBondContact O-N 2.7Å; A934-G936 VanDerWaalsContact C-N 3.28Å; A934-G936 PolarHBondContact O-N 3.11Å; A934-K937 PolarHBondContact O-N 2.86Å; A934-K937 VanDerWaalsContact O-N 3.09Å; A934-N938 PolarHBondContact O-N 3.4Å; A934-N938 PolarHBondContact O-OD1 3.19Å
935	V	40.2	Very low	38.6	Very low	106 Å²	106	86 Å²	86	64%	0.642	52%	0.515	S	S	*	.	H	α-helix	trans	-57.8	-41.3	173.4	172.8	0	0	0	0	111.3	I931 G939	I931-V935 WeakPolarHBondContact O-CG2 3.32Å; I931-V935 PolarHBondContact O-N 3.4Å; V935-G939 PolarHBondContact O-N 3.41Å
936	G	41	Very low	38.8	Very low	44 Å²	44	85.3 Å²	85.3	45%	0.454	51%	0.505	S	S	.	.	H	α-helix	trans	-63.7	-39.8	173.9	0	0	0	0	0	113.8	Q932 A933 A934 G939 Q940	Q932-G936 PolarHBondContact O-N 3.43Å; Q932-G936 VanDerWaalsContact O-N 3.16Å; A933-G936 PolarHBondContact O-N 2.88Å; A934-G936 VanDerWaalsContact C-N 3.28Å; A934-G936 PolarHBondContact O-N 3.11Å; G936-G939 PolarHBondContact O-N 3.34Å; G936-Q940 PolarHBondContact O-N 3.04Å
937	K	38.8	Very low	39	Very low	144 Å²	144	82.6 Å²	82.6	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-71.8	-36.1	178.1	-76.1	-179.1	177.4	-175.3	0	113.1	A933 A934 G939 Q940 A941	A933-K937 WeakPolarHBondContact O-CG 3.08Å; A933-K937 PolarHBondContact O-N 3.04Å; A934-K937 PolarHBondContact O-N 2.86Å; A934-K937 VanDerWaalsContact O-N 3.09Å; K937-G939 VanDerWaalsContact C-N 3.28Å; K937-G939 PolarHBondContact O-N 3.05Å; K937-Q940 CarbonylContact O-C 3.3Å; K937-Q940 WeakPolarHBondContact O-CA 3.34Å; K937-Q940 WeakPolarHBondContact O-CB 3.39Å; K937-Q940 PolarHBondContact O-N 3.14Å; K937-A941 PolarHBondContact O-N 2.72Å
938	N	37	Very low	39.1	Very low	110 Å²	110	82 Å²	82	59%	0.588	50%	0.502	S	S	*	.	H	α-helix	trans	-62.9	-36.4	174.7	-75.1	12.1	0	0	0	111.6	A934 Q940 A941 Q942	A934-N938 PolarHBondContact O-N 3.4Å; A934-N938 PolarHBondContact O-OD1 3.19Å; N938-Q940 VanDerWaalsContact C-N 3.29Å; N938-Q940 PolarHBondContact O-N 3.38Å; N938-A941 PolarHBondContact O-N 2.76Å; N938-Q942 WeakPolarHBondContact O-CB 3.35Å; N938-Q942 PolarHBondContact O-N 3.46Å
939	G	42.3	Very low	39.3	Very low	47 Å²	47	79.9 Å²	79.9	49%	0.485	50%	0.496	S	S	.	.	H	α-helix	trans	-62.4	-33.2	170.8	0	0	0	0	0	113.7	V935 G936 K937 S943	V935-G939 PolarHBondContact O-N 3.41Å; G936-G939 PolarHBondContact O-N 3.34Å; K937-G939 VanDerWaalsContact C-N 3.28Å; K937-G939 PolarHBondContact O-N 3.05Å; G939-S943 PolarHBondContact O-N 3.4Å
940	Q	39.3	Very low	39.6	Very low	134 Å²	134	84 Å²	84	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-76.2	-39.6	174.2	-68.6	-179.5	-27.3	0	0	112.3	G936 K937 N938 S943 V944	G936-Q940 PolarHBondContact O-N 3.04Å; K937-Q940 CarbonylContact O-C 3.3Å; K937-Q940 WeakPolarHBondContact O-CA 3.34Å; K937-Q940 WeakPolarHBondContact O-CB 3.39Å; K937-Q940 PolarHBondContact O-N 3.14Å; N938-Q940 VanDerWaalsContact C-N 3.29Å; N938-Q940 PolarHBondContact O-N 3.38Å; Q940-S943 WeakPolarHBondContact O-CB 3.44Å; Q940-S943 PolarHBondContact O-N 3.48Å; Q940-V944 WeakPolarHBondContact O-CG2 3.42Å; Q940-V944 PolarHBondContact O-N 2.83Å
941	A	37.1	Very low	39.9	Very low	52 Å²	52	84.4 Å²	84.4	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-62.1	-42.4	174.9	0	0	0	0	0	111.8	K937 N938 V944 L945	K937-A941 PolarHBondContact O-N 2.72Å; N938-A941 PolarHBondContact O-N 2.76Å; A941-V944 PolarHBondContact O-N 3.09Å; A941-L945 PolarHBondContact O-N 3.15Å
942	Q	40.8	Very low	40	Very low	89 Å²	89	85.7 Å²	85.7	42%	0.416	50%	0.504	S	S	.	.	H	α-helix	trans	-59	-47.2	171.1	-174.2	64.6	45.5	0	0	111.1	N938 V944 L945 D946	N938-Q942 WeakPolarHBondContact O-CB 3.35Å; N938-Q942 PolarHBondContact O-N 3.46Å; Q942-V944 PolarHBondContact O-N 2.97Å; Q942-L945 PolarHBondContact O-N 2.95Å; Q942-L945 VanDerWaalsContact O-N 3.12Å; Q942-D946 PolarHBondContact NE2-OD1 3.38Å; Q942-D946 WeakPolarHBondContact O-CB 3.43Å; Q942-D946 PolarHBondContact O-N 3.06Å
943	S	42.4	Very low	40.2	Very low	77 Å²	77	84 Å²	84	54%	0.538	50%	0.5	S	S	.	.	H	α-helix	trans	-62.8	-22.1	177	-174.5	0	0	0	0	114.3	G939 Q940 A947	G939-S943 PolarHBondContact O-N 3.4Å; Q940-S943 WeakPolarHBondContact O-CB 3.44Å; Q940-S943 PolarHBondContact O-N 3.48Å; S943-A947 WeakPolarHBondContact O-CB 3.47Å; S943-A947 PolarHBondContact O-N 2.95Å
944	V	38.2	Very low	40.3	Very low	99 Å²	99	87.4 Å²	87.4	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-85.6	-36.7	173.6	171.7	0	0	0	0	111.2	Q940 A941 Q942 A947 A948	Q940-V944 WeakPolarHBondContact O-CG2 3.42Å; Q940-V944 PolarHBondContact O-N 2.83Å; A941-V944 PolarHBondContact O-N 3.09Å; Q942-V944 PolarHBondContact O-N 2.97Å; V944-A947 PolarHBondContact O-N 3.06Å; V944-A948 WeakPolarHBondContact O-CB 3.47Å; V944-A948 PolarHBondContact O-N 3.38Å
945	L	40.1	Very low	40.5	Very low	61 Å²	61	87.5 Å²	87.5	32%	0.319	51%	0.507	S	S	.	.	H	α-helix	trans	-64.9	-39.9	171.3	-78.3	165.4	0	0	0	112	L780 A941 Q942 A947 A948 S949	L780-L945 HydrophobicContact CD2-CD1 3.93Å; A941-L945 PolarHBondContact O-N 3.15Å; Q942-L945 PolarHBondContact O-N 2.95Å; Q942-L945 VanDerWaalsContact O-N 3.12Å; L945-A947 VanDerWaalsContact C-N 3.3Å; L945-A947 PolarHBondContact O-N 3.17Å; L945-A948 PolarHBondContact O-N 3.22Å; L945-S949 WeakPolarHBondContact O-CB 3.41Å; L945-S949 PolarHBondContact O-N 2.86Å
946	D	43.4	Very low	40.6	Very low	88 Å²	88	86 Å²	86	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-66.4	-34.3	175.7	-63.4	-19.3	0	0	0	111.2	Q942 K950	Q942-D946 PolarHBondContact NE2-OD1 3.38Å; Q942-D946 WeakPolarHBondContact O-CB 3.43Å; Q942-D946 PolarHBondContact O-N 3.06Å; D946-K950 WeakPolarHBondContact O-CB 3.49Å; D946-K950 PolarHBondContact O-N 3.07Å
947	A	42.2	Very low	40.7	Very low	44 Å²	44	86 Å²	86	36%	0.364	49%	0.494	S	S	.	.	H	α-helix	trans	-70	-47.2	172.1	0	0	0	0	0	111.9	S943 V944 L945 S949 K950 D951	S943-A947 WeakPolarHBondContact O-CB 3.47Å; S943-A947 PolarHBondContact O-N 2.95Å; V944-A947 PolarHBondContact O-N 3.06Å; L945-A947 VanDerWaalsContact C-N 3.3Å; L945-A947 PolarHBondContact O-N 3.17Å; A947-S949 VanDerWaalsContact C-N 3.31Å; A947-S949 PolarHBondContact O-N 3.23Å; A947-K950 WeakPolarHBondContact O-CB 3.4Å; A947-K950 PolarHBondContact O-N 3.4Å; A947-K950 VanDerWaalsContact O-N 3.08Å; A947-D951 PolarHBondContact O-N 2.82Å
948	A	39.3	Very low	40.8	Very low	56 Å²	56	84 Å²	84	46%	0.463	49%	0.49	S	S	.	.	H	α-helix	trans	-63.4	-34.9	177.7	0	0	0	0	0	112.8	V944 L945 D951 H952	V944-A948 WeakPolarHBondContact O-CB 3.47Å; V944-A948 PolarHBondContact O-N 3.38Å; L945-A948 PolarHBondContact O-N 3.22Å; A948-D951 PolarHBondContact O-N 2.79Å; A948-H952 WeakPolarHBondContact O-CB 3.49Å; A948-H952 PolarHBondContact O-N 3.41Å
949	S	39.6	Very low	40.9	Very low	64 Å²	64	83.2 Å²	83.2	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-39.8	171.9	-167.4	0	0	0	0	111.7	L945 A947 H952 D953	L945-S949 WeakPolarHBondContact O-CB 3.41Å; L945-S949 PolarHBondContact O-N 2.86Å; A947-S949 VanDerWaalsContact C-N 3.31Å; A947-S949 PolarHBondContact O-N 3.23Å; S949-H952 WeakPolarHBondContact O-CB 3.31Å; S949-H952 PolarHBondContact O-N 3.45Å; S949-D953 PolarHBondContact O-N 2.03Å
950	K	42.7	Very low	40.9	Very low	131 Å²	131	85.4 Å²	85.4	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-69.8	-38.6	177	-173.2	-169.1	172	-152.9	0	112.2	D946 A947 H952 D953 E954	D946-K950 WeakPolarHBondContact O-CB 3.49Å; D946-K950 PolarHBondContact O-N 3.07Å; A947-K950 WeakPolarHBondContact O-CB 3.4Å; A947-K950 PolarHBondContact O-N 3.4Å; A947-K950 VanDerWaalsContact O-N 3.08Å; K950-H952 VanDerWaalsContact C-N 3.3Å; K950-D953 PolarHBondContact O-N 3.32Å; K950-E954 PolarHBondContact O-N 3.08Å
951	D	40.8	Very low	40.9	Very low	102 Å²	102	81.9 Å²	81.9	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-68.7	-31.3	174.7	-66.7	-8.2	0	0	0	110.9	A947 A948 E954 A955	A947-D951 PolarHBondContact O-N 2.82Å; A948-D951 PolarHBondContact O-N 2.79Å; D951-E954 PolarHBondContact O-N 3.45Å; D951-A955 VanDerWaalsContact O-CB 3.28Å; D951-A955 WeakPolarHBondContact O-CB 3.49Å; D951-A955 PolarHBondContact O-N 3.3Å
952	H	41.1	Very low	40.9	Very low	111 Å²	111	85 Å²	85	51%	0.514	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-44.6	167.8	172.5	89.3	0	0	0	112	A948 S949 K950 E954 A955 M956	A948-H952 WeakPolarHBondContact O-CB 3.49Å; A948-H952 PolarHBondContact O-N 3.41Å; S949-H952 WeakPolarHBondContact O-CB 3.31Å; S949-H952 PolarHBondContact O-N 3.45Å; K950-H952 VanDerWaalsContact C-N 3.3Å; H952-E954 VanDerWaalsContact C-N 3.31Å; H952-E954 PolarHBondContact O-N 2.96Å; H952-A955 PolarHBondContact O-N 2.93Å; H952-M956 WeakPolarHBondContact O-CB 3.21Å; H952-M956 WeakPolarHBondContact O-CG 3.35Å; H952-M956 PolarHBondContact O-N 3.13Å
953	D	42.5	Very low	40.8	Very low	105 Å²	105	83.4 Å²	83.4	56%	0.561	48%	0.482	S	S	*	.	H	α-helix	trans	-61.3	-38.8	174.2	-71.7	-35	0	0	0	111.8	S949 K950 M956 G957	S949-D953 PolarHBondContact O-N 2.03Å; K950-D953 PolarHBondContact O-N 3.32Å; D953-M956 PolarHBondContact O-N 3.29Å; D953-G957 PolarHBondContact O-N 3.4Å
954	E	41.1	Very low	40.6	Very low	125 Å²	125	81.1 Å²	81.1	58%	0.584	47%	0.471	S	S	*	.	H	α-helix	trans	-72.2	-36.8	176.7	-134.4	172.1	-122.6	0	0	111.7	K950 D951 H952 G957 N958	K950-E954 PolarHBondContact O-N 3.08Å; D951-E954 PolarHBondContact O-N 3.45Å; H952-E954 VanDerWaalsContact C-N 3.31Å; H952-E954 PolarHBondContact O-N 2.96Å; E954-G957 PolarHBondContact O-N 2.82Å; E954-N958 PolarHBondContact O-N 2.86Å; E954-N958 VanDerWaalsContact O-N 3.07Å; E954-N958 PolarHBondContact O-ND2 3.12Å
955	A	40.6	Very low	40.6	Very low	48 Å²	48	82 Å²	82	40%	0.397	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-45.4	170.5	0	0	0	0	0	111.6	D951 H952 G957 N958 I959	D951-A955 VanDerWaalsContact O-CB 3.28Å; D951-A955 WeakPolarHBondContact O-CB 3.49Å; D951-A955 PolarHBondContact O-N 3.3Å; H952-A955 PolarHBondContact O-N 2.93Å; A955-G957 VanDerWaalsContact C-N 3.33Å; A955-G957 PolarHBondContact O-N 3.25Å; A955-N958 CarbonylContact O-C 3.55Å; A955-N958 PolarHBondContact O-N 2.98Å; A955-N958 VanDerWaalsContact O-N 3.15Å; A955-I959 WeakPolarHBondContact O-CG1 3.43Å; A955-I959 PolarHBondContact O-N 2.86Å
956	M	42.4	Very low	40.3	Very low	75 Å²	75	81.2 Å²	81.2	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-63.1	-36.6	174.1	-78.7	-63.9	-74.2	0	0	112	H952 D953 N958 I959 N960	H952-M956 WeakPolarHBondContact O-CB 3.21Å; H952-M956 WeakPolarHBondContact O-CG 3.35Å; H952-M956 PolarHBondContact O-N 3.13Å; D953-M956 PolarHBondContact O-N 3.29Å; M956-N958 VanDerWaalsContact C-N 3.33Å; M956-N958 PolarHBondContact O-N 3.11Å; M956-I959 PolarHBondContact O-N 2.04Å; M956-I959 HydrophobicContact SD-CD1 4.3Å; M956-N960 WeakPolarHBondContact O-CB 3.35Å; M956-N960 PolarHBondContact O-N 3.3Å; M956-N960 PolarHBondContact O-ND2 2.99Å
957	G	43.1	Very low	39.9	Very low	44 Å²	44	82.8 Å²	82.8	45%	0.454	48%	0.477	S	S	.	.	H	α-helix	trans	-59	-42.9	171.2	0	0	0	0	0	112.6	D953 E954 A955 A961	D953-G957 PolarHBondContact O-N 3.4Å; E954-G957 PolarHBondContact O-N 2.82Å; A955-G957 VanDerWaalsContact C-N 3.33Å; A955-G957 PolarHBondContact O-N 3.25Å; G957-A961 PolarHBondContact O-N 3.22Å; G957-A961 VanDerWaalsContact O-N 3.13Å
958	N	41.2	Very low	39.6	Very low	103 Å²	103	86.4 Å²	86.4	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-72.8	-35.4	176.5	-73.6	-70	0	0	0	113	E954 A955 M956 A961 L962	E954-N958 PolarHBondContact O-N 2.86Å; E954-N958 VanDerWaalsContact O-N 3.07Å; E954-N958 PolarHBondContact O-ND2 3.12Å; A955-N958 CarbonylContact O-C 3.55Å; A955-N958 PolarHBondContact O-N 2.98Å; A955-N958 VanDerWaalsContact O-N 3.15Å; M956-N958 VanDerWaalsContact C-N 3.33Å; M956-N958 PolarHBondContact O-N 3.11Å; N958-A961 WeakPolarHBondContact O-CB 3.48Å; N958-A961 PolarHBondContact O-N 3.17Å; N958-L962 PolarHBondContact O-N 3.03Å
959	I	38.9	Very low	39.5	Very low	93 Å²	93	90.5 Å²	90.5	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-42	173.1	-70.4	165	0	0	0	110.4	A955 M956 A961 L962 D963	A955-I959 WeakPolarHBondContact O-CG1 3.43Å; A955-I959 PolarHBondContact O-N 2.86Å; M956-I959 PolarHBondContact O-N 2.04Å; M956-I959 HydrophobicContact SD-CD1 4.3Å; I959-A961 VanDerWaalsContact C-N 3.28Å; I959-A961 PolarHBondContact O-N 3.01Å; I959-L962 CarbonylContact O-C 3.51Å; I959-L962 WeakPolarHBondContact O-CB 3.36Å; I959-L962 PolarHBondContact O-N 3.13Å; I959-L962 VanDerWaalsContact O-N 3.13Å; I959-D963 WeakPolarHBondContact O-CB 3.36Å; I959-D963 PolarHBondContact O-N 2.73Å
960	N	41.3	Very low	39.2	Very low	93 Å²	93	94.2 Å²	94.2	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-31.3	173.5	-80.1	-72.4	0	0	0	112.6	M956 G964	M956-N960 WeakPolarHBondContact O-CB 3.35Å; M956-N960 PolarHBondContact O-N 3.3Å; M956-N960 PolarHBondContact O-ND2 2.99Å; N960-G964 PolarHBondContact O-N 2.99Å
961	A	39.4	Very low	38.9	Very low	59 Å²	59	94.1 Å²	94.1	49%	0.488	52%	0.519	S	S	.	.	H	α-helix	trans	-70.9	-35.8	172.1	0	0	0	0	0	112.7	G957 N958 I959 G964 L965	G957-A961 PolarHBondContact O-N 3.22Å; G957-A961 VanDerWaalsContact O-N 3.13Å; N958-A961 WeakPolarHBondContact O-CB 3.48Å; N958-A961 PolarHBondContact O-N 3.17Å; I959-A961 VanDerWaalsContact C-N 3.28Å; I959-A961 PolarHBondContact O-N 3.01Å; A961-G964 PolarHBondContact O-N 3.15Å; A961-L965 PolarHBondContact O-N 2.72Å
962	L	37.9	Very low	38.5	Very low	117 Å²	117	95.4 Å²	95.4	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-70.5	-40.2	173	-82.7	161.2	0	0	0	112.5	N958 I959 G964 L965 A966	N958-L962 PolarHBondContact O-N 3.03Å; I959-L962 CarbonylContact O-C 3.51Å; I959-L962 WeakPolarHBondContact O-CB 3.36Å; I959-L962 PolarHBondContact O-N 3.13Å; I959-L962 VanDerWaalsContact O-N 3.13Å; L962-G964 VanDerWaalsContact C-N 3.34Å; L962-L965 CarbonylContact O-C 3.08Å; L962-L965 WeakPolarHBondContact O-CA 3.22Å; L962-L965 WeakPolarHBondContact O-CB 3.11Å; L962-L965 PolarHBondContact O-N 3.28Å; L962-L965 VanDerWaalsContact O-N 3.1Å; L962-A966 PolarHBondContact O-N 3.46Å
963	D	37.9	Very low	37.8	Very low	56 Å²	56	94 Å²	94	30%	0.299	54%	0.538	S	S	.	.	H	α-helix	trans	-63.5	-38.1	171	162.8	71	0	0	0	111.3	I959 L965 A966 K967	I959-D963 WeakPolarHBondContact O-CB 3.36Å; I959-D963 PolarHBondContact O-N 2.73Å; D963-L965 VanDerWaalsContact C-N 3.25Å; D963-L965 PolarHBondContact O-N 3.3Å; D963-A966 PolarHBondContact O-N 3.39Å; D963-A966 VanDerWaalsContact O-N 3.16Å; D963-K967 VanDerWaalsContact CG-NZ 3.32Å; D963-K967 WeakPolarHBondContact O-CB 3.47Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.38Å; D963-K967 WeakPolarHBondContact OD1-CD 3.43Å; D963-K967 WeakPolarHBondContact OD1-CE 3.39Å; D963-K967 IonicContact OD1-NZ 3.55Å; D963-K967 PolarHBondContact OD1-NZ 2.93Å; D963-K967 WeakPolarHBondContact OD2-CD 3.34Å; D963-K967 VanDerWaalsContact OD2-CE 3.27Å; D963-K967 WeakPolarHBondContact OD2-CE 3.37Å; D963-K967 IonicContact OD2-NZ 2.68Å; D963-K967 PolarHBondContact OD2-NZ 2.82Å
964	G	37.8	Very low	37.3	Very low	30 Å²	30	92.2 Å²	92.2	31%	0.309	55%	0.545	S	S	.	.	H	α-helix	trans	-58.8	-33.3	168.8	0	0	0	0	0	113.7	N960 A961 L962 N968	N960-G964 PolarHBondContact O-N 2.99Å; A961-G964 PolarHBondContact O-N 3.15Å; L962-G964 VanDerWaalsContact C-N 3.34Å; G964-N968 PolarHBondContact O-ND2 2.66Å
965	L	38.3	Very low	36.9	Very low	117 Å²	117	91.7 Å²	91.7	61%	0.613	56%	0.555	S	S	*	*	H	α-helix	trans	-76.9	-38.7	171.8	-82.6	159.7	0	0	0	112.5	A961 L962 D963 N968	A961-L965 PolarHBondContact O-N 2.72Å; L962-L965 CarbonylContact O-C 3.08Å; L962-L965 WeakPolarHBondContact O-CA 3.22Å; L962-L965 WeakPolarHBondContact O-CB 3.11Å; L962-L965 PolarHBondContact O-N 3.28Å; L962-L965 VanDerWaalsContact O-N 3.1Å; D963-L965 VanDerWaalsContact C-N 3.25Å; D963-L965 PolarHBondContact O-N 3.3Å; L965-N968 PolarHBondContact O-N 3.05Å
966	A	35	Very low	36.3	Very low	45 Å²	45	97.3 Å²	97.3	37%	0.372	58%	0.578	S	S	.	*	H	α-helix	trans	-66.9	-42.2	177.5	0	0	0	0	0	112.3	L962 D963 N968 L969 Q970	L962-A966 PolarHBondContact O-N 3.46Å; D963-A966 PolarHBondContact O-N 3.39Å; D963-A966 VanDerWaalsContact O-N 3.16Å; A966-N968 PolarHBondContact O-N 2.64Å; A966-L969 CarbonylContact O-C 3.13Å; A966-L969 WeakPolarHBondContact O-CA 3.44Å; A966-L969 WeakPolarHBondContact O-CB 3.27Å; A966-L969 PolarHBondContact O-N 2.84Å; A966-Q970 PolarHBondContact O-N 3.03Å
967	K	35.3	Very low	36.5	Very low	120 Å²	120	98.9 Å²	98.9	52%	0.522	59%	0.594	S	S	.	*	H	α-helix	trans	-59.1	-32.8	175.8	-79.3	168.7	172.9	159.5	0	112.9	D963 L969 Q970 N971	D963-K967 VanDerWaalsContact CG-NZ 3.32Å; D963-K967 WeakPolarHBondContact O-CB 3.47Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.38Å; D963-K967 WeakPolarHBondContact OD1-CD 3.43Å; D963-K967 WeakPolarHBondContact OD1-CE 3.39Å; D963-K967 IonicContact OD1-NZ 3.55Å; D963-K967 PolarHBondContact OD1-NZ 2.93Å; D963-K967 WeakPolarHBondContact OD2-CD 3.34Å; D963-K967 VanDerWaalsContact OD2-CE 3.27Å; D963-K967 WeakPolarHBondContact OD2-CE 3.37Å; D963-K967 IonicContact OD2-NZ 2.68Å; D963-K967 PolarHBondContact OD2-NZ 2.82Å; K967-L969 VanDerWaalsContact C-N 3.32Å; K967-L969 PolarHBondContact O-N 3.22Å; K967-Q970 PolarHBondContact O-N 3.48Å; K967-N971 PolarHBondContact O-ND2 3.12Å; K967-N971 VanDerWaalsContact O-ND2 3.17Å
968	N	36.2	Very low	36	Very low	120 Å²	120	104 Å²	104	64%	0.642	61%	0.611	S	S	*	*	H	α-helix	trans	-65.1	-34.7	172.8	-82	-62.4	0	0	0	112.7	G964 L965 A966 N971	G964-N968 PolarHBondContact O-ND2 2.66Å; L965-N968 PolarHBondContact O-N 3.05Å; A966-N968 PolarHBondContact O-N 2.64Å; N968-N971 PolarHBondContact O-ND2 3.35Å
969	L	36	Very low	35.7	Very low	142 Å²	142	103 Å²	103	74%	0.743	62%	0.617	S	S	*	*	H	α-helix	trans	-81.1	-32.9	175.9	-87.4	156	0	0	0	113.2	A966 K967 N971 T972	A966-L969 CarbonylContact O-C 3.13Å; A966-L969 WeakPolarHBondContact O-CA 3.44Å; A966-L969 WeakPolarHBondContact O-CB 3.27Å; A966-L969 PolarHBondContact O-N 2.84Å; K967-L969 VanDerWaalsContact C-N 3.32Å; K967-L969 PolarHBondContact O-N 3.22Å; L969-N971 PolarHBondContact O-N 2.73Å; L969-T972 PolarHBondContact O-OG1 2.93Å
970	Q	33.7	Very low	35.5	Very low	142 Å²	142	101.5 Å²	101.5	66%	0.664	62%	0.624	S	S	*	*			trans	-81.8	4.4	-174.5	-157.1	160.9	9.5	0	0	114.4	A966 K967 T972	A966-Q970 PolarHBondContact O-N 3.03Å; K967-Q970 PolarHBondContact O-N 3.48Å; Q970-T972 PolarHBondContact O-N 2.96Å
971	N	36.5	Very low	35.5	Very low	130 Å²	130	99.7 Å²	99.7	70%	0.695	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	18.8	170.5	-77.4	-47.6	0	0	0	115.2	K967 N968 L969	K967-N971 PolarHBondContact O-ND2 3.12Å; K967-N971 VanDerWaalsContact O-ND2 3.17Å; N968-N971 PolarHBondContact O-ND2 3.35Å; L969-N971 PolarHBondContact O-N 2.73Å
972	T	32.3	Very low	35.4	Very low	128 Å²	128	104.1 Å²	104.1	79%	0.785	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	-26.9	-167.4	-32.4	0	0	0	0	114.7	L969 Q970	L969-T972 PolarHBondContact O-OG1 2.93Å; Q970-T972 PolarHBondContact O-N 2.96Å
973	A	26.1	Very low	35.4	Very low	81 Å²	81	103.1 Å²	103.1	67%	0.669	64%	0.64	S	S	*	*			trans	-173.9	152.3	170.9	0	0	0	0	0	111.1
974	G	31.2	Very low	35.5	Very low	69 Å²	69	103.9 Å²	103.9	71%	0.711	65%	0.65	S	S	*	*			cis	157.7	115.2	-11.2	0	0	0	0	0	114.7
975	S	33.3	Very low	35.5	Very low	113 Å²	113	107 Å²	107	79%	0.79	66%	0.657	S	S	*	*			trans	93.4	101.9	162.1	-36.8	0	0	0	0	121.1
976	L	29.2	Very low	35.4	Very low	166 Å²	166	104.3 Å²	104.3	87%	0.869	65%	0.651	S	S	*	*			trans	62.2	174.4	137.2	-61.4	163.1	0	0	0	119
977	P	45.5	Very low	35.7	Very low	108 Å²	108	106.2 Å²	106.2	70%	0.701	66%	0.655	S	S	*	*				-128.5	-166.1	-71	44.1	-28	0	0	0	110.5
978	D	33.8	Very low	35.9	Very low	153 Å²	153	105.4 Å²	105.4	82%	0.818	65%	0.651	S	S	*	*			cis	-153.8	179	-1.3	-149.3	-73.1	0	0	0	108.9
979	A	35	Very low	36	Very low	82 Å²	82	105.4 Å²	105.4	68%	0.678	65%	0.651	S	S	*	*			trans	-152.7	63.4	-177.1	0	0	0	0	0	116.7
980	G	34.6	Very low	36.3	Very low	61 Å²	61	101.5 Å²	101.5	63%	0.629	63%	0.631	S	S	*	*			trans	-75.7	-26.4	178.2	0	0	0	0	0	116.7
981	G	41.1	Very low	36.8	Very low	54 Å²	54	100.4 Å²	100.4	56%	0.557	63%	0.626	S	S	*	*	H	α-helix	trans	-69.1	-36.7	-167.1	0	0	0	0	0	115.7	V983 S984	G981-V983 PolarHBondContact O-N 3.15Å; G981-V983 VanDerWaalsContact O-N 3.14Å; G981-S984 WeakPolarHBondContact O-CB 3.49Å; G981-S984 PolarHBondContact O-N 3.33Å
982	L	35.8	Very low	37	Very low	153 Å²	153	99.1 Å²	99.1	80%	0.801	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-25.1	-174.3	-119.7	75.5	0	0	0	113.6	A986	L982-A986 WeakPolarHBondContact O-CB 3.35Å; L982-A986 PolarHBondContact O-N 3.48Å
983	V	39.2	Very low	37.5	Very low	95 Å²	95	95.8 Å²	95.8	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-76.4	-35.5	-179.9	-174.2	0	0	0	0	111.3	G981 D987	G981-V983 PolarHBondContact O-N 3.15Å; G981-V983 VanDerWaalsContact O-N 3.14Å; V983-D987 PolarHBondContact O-N 3.19Å
984	S	39.3	Very low	38.4	Very low	72 Å²	72	96 Å²	96	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-56.1	-56.1	173.4	166.1	0	0	0	0	110.8	G981 A986 D987 K988	G981-S984 WeakPolarHBondContact O-CB 3.49Å; G981-S984 PolarHBondContact O-N 3.33Å; S984-A986 VanDerWaalsContact C-N 3.33Å; S984-A986 PolarHBondContact O-N 3.08Å; S984-D987 PolarHBondContact O-N 2.94Å; S984-K988 WeakPolarHBondContact O-CB 3.02Å; S984-K988 PolarHBondContact O-N 2.61Å
985	E	38.3	Very low	38.8	Very low	97 Å²	97	96.8 Å²	96.8	45%	0.453	58%	0.582	S	S	.	*	H	α-helix	trans	-71.5	-30.4	-172.6	-115.1	51.1	-155.6	0	0	112	K988 L989	E985-K988 PolarHBondContact O-N 3.48Å; E985-K988 VanDerWaalsContact OE1-CD 3.3Å; E985-K988 WeakPolarHBondContact OE1-CD 3.46Å; E985-K988 IonicContact OE1-NZ 2.68Å; E985-K988 PolarHBondContact OE1-NZ 3.44Å; E985-L989 WeakPolarHBondContact O-CB 3.1Å; E985-L989 PolarHBondContact O-N 2.76Å
986	A	36.9	Very low	39.2	Very low	60 Å²	60	98 Å²	98	50%	0.496	58%	0.578	S	S	.	*	H	α-helix	trans	-65.1	-42.1	170.5	0	0	0	0	0	112.8	L982 S984 N990	L982-A986 WeakPolarHBondContact O-CB 3.35Å; L982-A986 PolarHBondContact O-N 3.48Å; S984-A986 VanDerWaalsContact C-N 3.33Å; S984-A986 PolarHBondContact O-N 3.08Å; A986-N990 VanDerWaalsContact O-CB 3.24Å; A986-N990 WeakPolarHBondContact O-CB 2.95Å; A986-N990 PolarHBondContact O-N 2.85Å; A986-N990 VanDerWaalsContact O-N 3.11Å
987	D	39.5	Very low	40.1	Very low	84 Å²	84	95 Å²	95	45%	0.449	56%	0.558	S	S	.	*	H	α-helix	trans	-73.6	-29	176.3	-96.3	-35.7	0	0	0	112.8	V983 S984 N990 Q991	V983-D987 PolarHBondContact O-N 3.19Å; S984-D987 PolarHBondContact O-N 2.94Å; D987-N990 WeakPolarHBondContact O-CB 3Å; D987-N990 PolarHBondContact O-N 3.48Å; D987-N990 PolarHBondContact OD1-ND2 3.32Å; D987-N990 VanDerWaalsContact OD1-ND2 3.1Å; D987-Q991 WeakPolarHBondContact O-CG 3.01Å; D987-Q991 PolarHBondContact O-N 3.1Å
988	K	41	Very low	40.1	Very low	103 Å²	103	92.4 Å²	92.4	45%	0.448	55%	0.546	S	S	.	.	H	α-helix	trans	-65.9	-49.2	171.6	-179.7	176.2	161.5	-168.4	0	112	S984 E985 N990 Q991 E992	S984-K988 WeakPolarHBondContact O-CB 3.02Å; S984-K988 PolarHBondContact O-N 2.61Å; E985-K988 PolarHBondContact O-N 3.48Å; E985-K988 VanDerWaalsContact OE1-CD 3.3Å; E985-K988 WeakPolarHBondContact OE1-CD 3.46Å; E985-K988 IonicContact OE1-NZ 2.68Å; E985-K988 PolarHBondContact OE1-NZ 3.44Å; K988-N990 PolarHBondContact O-N 2.78Å; K988-Q991 WeakPolarHBondContact O-CA 3.31Å; K988-Q991 PolarHBondContact O-N 3.04Å; K988-E992 PolarHBondContact O-N 3.17Å
989	L	38.8	Very low	40.6	Very low	120 Å²	120	86.6 Å²	86.6	63%	0.628	52%	0.522	S	S	*	.	H	α-helix	trans	-58.8	-35.5	174.4	-142.2	79.3	0	0	0	111.8	E985 E992 A993	E985-L989 WeakPolarHBondContact O-CB 3.1Å; E985-L989 PolarHBondContact O-N 2.76Å; L989-E992 PolarHBondContact O-N 3.4Å; L989-A993 WeakPolarHBondContact O-CB 3.35Å; L989-A993 PolarHBondContact O-N 3.4Å
990	N	41.8	Very low	41	Very low	61 Å²	61	85.2 Å²	85.2	33%	0.326	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-30.7	174	179.6	24.3	0	0	0	112.7	A986 D987 K988 K994	A986-N990 VanDerWaalsContact O-CB 3.24Å; A986-N990 WeakPolarHBondContact O-CB 2.95Å; A986-N990 PolarHBondContact O-N 2.85Å; A986-N990 VanDerWaalsContact O-N 3.11Å; D987-N990 WeakPolarHBondContact O-CB 3Å; D987-N990 PolarHBondContact O-N 3.48Å; D987-N990 PolarHBondContact OD1-ND2 3.32Å; D987-N990 VanDerWaalsContact OD1-ND2 3.1Å; K988-N990 PolarHBondContact O-N 2.78Å; N990-K994 PolarHBondContact ND2-NZ 3.41Å; N990-K994 VanDerWaalsContact ND2-NZ 3.11Å; N990-K994 VanDerWaalsContact O-CD 3.27Å; N990-K994 WeakPolarHBondContact O-CD 3.39Å; N990-K994 WeakPolarHBondContact O-CE 3.49Å; N990-K994 WeakPolarHBondContact O-CG 3.42Å; N990-K994 PolarHBondContact O-N 3.42Å; N990-K994 WeakPolarHBondContact OD1-CE 3.13Å; N990-K994 PolarHBondContact OD1-NZ 2.99Å
991	Q	44.2	Very low	41.5	Very low	119 Å²	119	85.6 Å²	85.6	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-76.8	-39.8	170.8	-62	-63.9	14.5	0	0	112.2	D987 K988 A993 K994 S995	D987-Q991 WeakPolarHBondContact O-CG 3.01Å; D987-Q991 PolarHBondContact O-N 3.1Å; K988-Q991 WeakPolarHBondContact O-CA 3.31Å; K988-Q991 PolarHBondContact O-N 3.04Å; Q991-A993 VanDerWaalsContact C-N 3.34Å; Q991-A993 PolarHBondContact O-N 2.86Å; Q991-K994 WeakPolarHBondContact O-CB 3.03Å; Q991-K994 PolarHBondContact O-N 2.97Å; Q991-K994 VanDerWaalsContact O-N 3.14Å; Q991-S995 PolarHBondContact O-N 2.78Å
992	E	41.2	Very low	41.9	Very low	103 Å²	103	89.9 Å²	89.9	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-43.2	175.7	-69.7	168.7	-164.5	0	0	111.1	K988 L989 K994 S995 L996	K988-E992 PolarHBondContact O-N 3.17Å; L989-E992 PolarHBondContact O-N 3.4Å; E992-K994 VanDerWaalsContact C-N 3.34Å; E992-K994 PolarHBondContact O-N 3.16Å; E992-S995 WeakPolarHBondContact O-CB 3.43Å; E992-S995 PolarHBondContact O-N 3Å; E992-L996 PolarHBondContact O-N 3.11Å
993	A	42.3	Very low	42.3	Very low	58 Å²	58	87.5 Å²	87.5	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-35.5	172.8	0	0	0	0	0	113.4	L989 Q991 K997	L989-A993 WeakPolarHBondContact O-CB 3.35Å; L989-A993 PolarHBondContact O-N 3.4Å; Q991-A993 VanDerWaalsContact C-N 3.34Å; Q991-A993 PolarHBondContact O-N 2.86Å; A993-K997 VanDerWaalsContact O-CB 3.31Å; A993-K997 WeakPolarHBondContact O-CB 3.33Å; A993-K997 PolarHBondContact O-N 2.82Å
994	K	43.7	Very low	42.7	Very low	84 Å²	84	84.3 Å²	84.3	37%	0.365	48%	0.477	S	S	.	.	H	α-helix	trans	-70.2	-35.6	173.4	-73	162.5	-163	146.5	0	112.3	N990 Q991 E992 K997 A998	N990-K994 PolarHBondContact ND2-NZ 3.41Å; N990-K994 VanDerWaalsContact ND2-NZ 3.11Å; N990-K994 VanDerWaalsContact O-CD 3.27Å; N990-K994 WeakPolarHBondContact O-CD 3.39Å; N990-K994 WeakPolarHBondContact O-CE 3.49Å; N990-K994 WeakPolarHBondContact O-CG 3.42Å; N990-K994 PolarHBondContact O-N 3.42Å; N990-K994 WeakPolarHBondContact OD1-CE 3.13Å; N990-K994 PolarHBondContact OD1-NZ 2.99Å; Q991-K994 WeakPolarHBondContact O-CB 3.03Å; Q991-K994 PolarHBondContact O-N 2.97Å; Q991-K994 VanDerWaalsContact O-N 3.14Å; E992-K994 VanDerWaalsContact C-N 3.34Å; E992-K994 PolarHBondContact O-N 3.16Å; K994-K997 PolarHBondContact O-N 3.37Å; K994-A998 WeakPolarHBondContact O-CB 3.45Å; K994-A998 PolarHBondContact O-N 2.9Å
995	S	41.4	Very low	43.2	Very low	87 Å²	87	86.3 Å²	86.3	61%	0.608	48%	0.478	S	S	*	.	H	α-helix	trans	-64.8	-48.2	174.6	-168.8	0	0	0	0	111	Q991 E992 K997 A998 G999	Q991-S995 PolarHBondContact O-N 2.78Å; E992-S995 WeakPolarHBondContact O-CB 3.43Å; E992-S995 PolarHBondContact O-N 3Å; S995-K997 VanDerWaalsContact C-N 3.32Å; S995-K997 PolarHBondContact O-N 2.96Å; S995-A998 WeakPolarHBondContact O-CB 3.43Å; S995-A998 PolarHBondContact O-N 3.11Å; S995-A998 VanDerWaalsContact O-N 3.07Å; S995-G999 PolarHBondContact O-N 3.39Å
996	L	41.7	Very low	43.8	Very low	138 Å²	138	83.9 Å²	83.9	72%	0.723	48%	0.479	S	S	*	.	H	α-helix	trans	-60.8	-40.4	175.2	-175.8	62.9	0	0	0	112.1	E992 G999 A1000	E992-L996 PolarHBondContact O-N 3.11Å; L996-G999 PolarHBondContact O-N 3.04Å; L996-A1000 WeakPolarHBondContact O-CB 3.44Å; L996-A1000 PolarHBondContact O-N 3.17Å
997	K	46.3	Very low	44.3	Very low	103 Å²	103	85 Å²	85	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-44.5	171.6	174.8	-167.4	160.1	-161.8	0	111.8	A993 K994 S995 A1000 E1001	A993-K997 VanDerWaalsContact O-CB 3.31Å; A993-K997 WeakPolarHBondContact O-CB 3.33Å; A993-K997 PolarHBondContact O-N 2.82Å; K994-K997 PolarHBondContact O-N 3.37Å; S995-K997 VanDerWaalsContact C-N 3.32Å; S995-K997 PolarHBondContact O-N 2.96Å; K997-A1000 PolarHBondContact O-N 3.05Å; K997-E1001 VanDerWaalsContact CE-CD 3.49Å; K997-E1001 WeakPolarHBondContact CE-OE1 3.36Å; K997-E1001 WeakPolarHBondContact CE-OE2 3.43Å; K997-E1001 HydrophobicContact CG-CG 4.42Å; K997-E1001 IonicContact NZ-OE2 3.22Å; K997-E1001 WeakPolarHBondContact O-CB 3.39Å; K997-E1001 WeakPolarHBondContact O-CG 3.45Å; K997-E1001 PolarHBondContact O-N 3.27Å
998	A	46.7	Very low	45.1	Very low	54 Å²	54	88.9 Å²	88.9	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-43.4	179.7	0	0	0	0	0	111.5	K994 S995 A1000 E1001 Q1002	K994-A998 WeakPolarHBondContact O-CB 3.45Å; K994-A998 PolarHBondContact O-N 2.9Å; S995-A998 WeakPolarHBondContact O-CB 3.43Å; S995-A998 PolarHBondContact O-N 3.11Å; S995-A998 VanDerWaalsContact O-N 3.07Å; A998-A1000 PolarHBondContact O-N 3.27Å; A998-E1001 PolarHBondContact O-N 3.12Å; A998-Q1002 WeakPolarHBondContact O-CB 3.45Å; A998-Q1002 PolarHBondContact O-N 2.93Å
999	G	43.5	Very low	46	Very low	31 Å²	31	87.7 Å²	87.7	32%	0.32	48%	0.484	S	S	.	.	H	α-helix	trans	-60.9	-41.5	172.3	0	0	0	0	0	112.8	S995 L996 Q1002 T1003	S995-G999 PolarHBondContact O-N 3.39Å; L996-G999 PolarHBondContact O-N 3.04Å; G999-Q1002 PolarHBondContact O-N 2.63Å; G999-T1003 PolarHBondContact O-N 3.48Å; G999-T1003 PolarHBondContact O-OG1 3.12Å; G999-T1003 VanDerWaalsContact O-OG1 3.12Å
1000	A	44.7	Very low	46.4	Very low	53 Å²	53	83.6 Å²	83.6	44%	0.438	47%	0.471	S	S	.	.	H	α-helix	trans	-69.4	-33.3	175.7	0	0	0	0	0	113.5	L996 K997 A998 A1004	L996-A1000 WeakPolarHBondContact O-CB 3.44Å; L996-A1000 PolarHBondContact O-N 3.17Å; K997-A1000 PolarHBondContact O-N 3.05Å; A998-A1000 PolarHBondContact O-N 3.27Å; A1000-A1004 VanDerWaalsContact O-CB 3.31Å; A1000-A1004 WeakPolarHBondContact O-CB 3.15Å; A1000-A1004 PolarHBondContact O-N 3.21Å; A1000-A1004 VanDerWaalsContact O-N 3.16Å
1001	E	45.3	Very low	47.1	Very low	69 Å²	69	81.8 Å²	81.8	32%	0.322	46%	0.461	S	S	.	.	H	α-helix	trans	-69.8	-39.3	172.1	-74.7	179.5	152.8	0	0	110.4	K669 K997 A998 A1004 E1005	K669-E1001 IonicContact NZ-OE1 2.73Å; K669-E1001 PolarHBondContact NZ-OE1 2.9Å; K997-E1001 VanDerWaalsContact CE-CD 3.49Å; K997-E1001 WeakPolarHBondContact CE-OE1 3.36Å; K997-E1001 WeakPolarHBondContact CE-OE2 3.43Å; K997-E1001 HydrophobicContact CG-CG 4.42Å; K997-E1001 IonicContact NZ-OE2 3.22Å; K997-E1001 WeakPolarHBondContact O-CB 3.39Å; K997-E1001 WeakPolarHBondContact O-CG 3.45Å; K997-E1001 PolarHBondContact O-N 3.27Å; A998-E1001 PolarHBondContact O-N 3.12Å; E1001-A1004 PolarHBondContact O-N 3.24Å; E1001-E1005 WeakPolarHBondContact O-CB 3.35Å; E1001-E1005 PolarHBondContact O-N 3.13Å
1002	Q	48.4	Very low	47.9	Very low	144 Å²	144	80.9 Å²	80.9	67%	0.673	46%	0.455	S	S	*	.	H	α-helix	trans	-66	-44.3	175.1	-172.9	178.2	9.2	0	0	113.2	A998 G999 A1004 E1005 G1006	A998-Q1002 WeakPolarHBondContact O-CB 3.45Å; A998-Q1002 PolarHBondContact O-N 2.93Å; G999-Q1002 PolarHBondContact O-N 2.63Å; Q1002-A1004 VanDerWaalsContact C-N 3.3Å; Q1002-A1004 PolarHBondContact O-N 2.03Å; Q1002-E1005 WeakPolarHBondContact O-CB 3.33Å; Q1002-E1005 PolarHBondContact O-N 2.91Å; Q1002-E1005 VanDerWaalsContact O-N 3.16Å; Q1002-G1006 PolarHBondContact O-N 3.34Å
1003	T	44	Very low	48.6	Very low	103 Å²	103	82 Å²	82	63%	0.632	46%	0.46	S	S	*	.	H	α-helix	trans	-64.2	-36.3	174.8	-60.2	0	0	0	0	111.6	G999 E1005 L1007	G999-T1003 PolarHBondContact O-N 3.48Å; G999-T1003 PolarHBondContact O-OG1 3.12Å; G999-T1003 VanDerWaalsContact O-OG1 3.12Å; T1003-E1005 VanDerWaalsContact C-N 3.31Å; T1003-L1007 VanDerWaalsContact O-CB 3.27Å; T1003-L1007 WeakPolarHBondContact O-CB 3.32Å; T1003-L1007 PolarHBondContact O-N 2.83Å
1004	A	47.8	Very low	48.9	Very low	27 Å²	27	80.9 Å²	80.9	22%	0.223	45%	0.451	C	S	.	.	H	α-helix	trans	-70.9	-26	174.7	0	0	0	0	0	113.2	A1000 E1001 Q1002 R1008	A1000-A1004 VanDerWaalsContact O-CB 3.31Å; A1000-A1004 WeakPolarHBondContact O-CB 3.15Å; A1000-A1004 PolarHBondContact O-N 3.21Å; A1000-A1004 VanDerWaalsContact O-N 3.16Å; E1001-A1004 PolarHBondContact O-N 3.24Å; Q1002-A1004 VanDerWaalsContact C-N 3.3Å; Q1002-A1004 PolarHBondContact O-N 2.03Å; A1004-R1008 WeakPolarHBondContact O-CB 3.09Å; A1004-R1008 PolarHBondContact O-N 2.82Å
1005	E	50.4	Low	49.5	Very low	114 Å²	114	81.2 Å²	81.2	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-74.1	-51.7	173.2	-165.3	150.6	-121.4	0	0	110.6	E1001 Q1002 T1003 L1007 R1008 D1009	E1001-E1005 WeakPolarHBondContact O-CB 3.35Å; E1001-E1005 PolarHBondContact O-N 3.13Å; Q1002-E1005 WeakPolarHBondContact O-CB 3.33Å; Q1002-E1005 PolarHBondContact O-N 2.91Å; Q1002-E1005 VanDerWaalsContact O-N 3.16Å; T1003-E1005 VanDerWaalsContact C-N 3.31Å; E1005-L1007 VanDerWaalsContact C-N 3.3Å; E1005-L1007 PolarHBondContact O-N 3.29Å; E1005-R1008 CarbonylContact O-C 3.54Å; E1005-R1008 WeakPolarHBondContact O-CA 3.03Å; E1005-R1008 WeakPolarHBondContact O-CB 3.38Å; E1005-R1008 PolarHBondContact O-N 2.81Å; E1005-D1009 PolarHBondContact O-N 3.09Å
1006	G	49.9	Very low	50.4	Low	46 Å²	46	82.3 Å²	82.3	47%	0.474	45%	0.449	S	S	.	.	H	α-helix	trans	-59.1	-36.4	174.5	0	0	0	0	0	113.9	Q1002 R1008 D1009 G1010	Q1002-G1006 PolarHBondContact O-N 3.34Å; G1006-R1008 VanDerWaalsContact C-N 3.31Å; G1006-R1008 PolarHBondContact O-N 3.04Å; G1006-D1009 PolarHBondContact O-N 2.85Å; G1006-G1010 PolarHBondContact O-N 3.17Å
1007	L	48.1	Very low	50.9	Low	83 Å²	83	81.6 Å²	81.6	44%	0.435	45%	0.446	S	S	.	.	H	α-helix	trans	-70.9	-25	174.2	-163.1	73.5	0	0	0	112.9	V658 I661 T1003 E1005 L1011	V658-L1007 HydrophobicContact CG2-CD2 4.01Å; V658-L1007 HydrophobicContact CG2-CG 4.12Å; I661-L1007 HydrophobicContact CD1-CD2 4.21Å; T1003-L1007 VanDerWaalsContact O-CB 3.27Å; T1003-L1007 WeakPolarHBondContact O-CB 3.32Å; T1003-L1007 PolarHBondContact O-N 2.83Å; E1005-L1007 VanDerWaalsContact C-N 3.3Å; E1005-L1007 PolarHBondContact O-N 3.29Å; L1007-L1011 WeakPolarHBondContact O-CB 3.48Å; L1007-L1011 PolarHBondContact O-N 2.98Å
1008	R	56.3	Low	51.2	Low	166 Å²	166	78.1 Å²	78.1	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-78.1	-40.1	171.9	166.4	-176.7	-77.8	154.9	-3.8	111.2	A1004 E1005 G1006 L1011 K1012	A1004-R1008 WeakPolarHBondContact O-CB 3.09Å; A1004-R1008 PolarHBondContact O-N 2.82Å; E1005-R1008 CarbonylContact O-C 3.54Å; E1005-R1008 WeakPolarHBondContact O-CA 3.03Å; E1005-R1008 WeakPolarHBondContact O-CB 3.38Å; E1005-R1008 PolarHBondContact O-N 2.81Å; G1006-R1008 VanDerWaalsContact C-N 3.31Å; G1006-R1008 PolarHBondContact O-N 3.04Å; R1008-L1011 WeakPolarHBondContact O-CB 3.45Å; R1008-L1011 PolarHBondContact O-N 3.42Å; R1008-K1012 WeakPolarHBondContact O-CB 3.26Å; R1008-K1012 PolarHBondContact O-N 3.04Å
1009	D	60.1	Low	51.9	Low	78 Å²	78	78.2 Å²	78.2	42%	0.417	44%	0.437	S	S	.	.	H	α-helix	trans	-68.6	-43.8	179.3	-67.9	-28	0	0	0	110.8	E1005 G1006 L1011 K1012 E1013	E1005-D1009 PolarHBondContact O-N 3.09Å; G1006-D1009 PolarHBondContact O-N 2.85Å; D1009-L1011 VanDerWaalsContact C-N 3.29Å; D1009-L1011 PolarHBondContact O-N 3.36Å; D1009-K1012 CarbonylContact O-C 3.58Å; D1009-K1012 WeakPolarHBondContact O-CA 3.49Å; D1009-K1012 WeakPolarHBondContact O-CB 3.25Å; D1009-K1012 PolarHBondContact O-N 3.45Å; D1009-E1013 WeakPolarHBondContact O-CG 3.41Å; D1009-E1013 PolarHBondContact O-N 3.45Å
1010	G	47.5	Very low	52.5	Low	35 Å²	35	77.1 Å²	77.1	36%	0.361	43%	0.426	S	S	.	.	H	α-helix	trans	-62.2	-31.6	170.8	0	0	0	0	0	113.8	G1006 A1014	G1006-G1010 PolarHBondContact O-N 3.17Å; G1010-A1014 WeakPolarHBondContact O-CB 3.32Å; G1010-A1014 PolarHBondContact O-N 3.33Å
1011	L	55.7	Low	52.9	Low	23 Å²	23	76.8 Å²	76.8	12%	0.12	42%	0.423	C	S	.	.	H	α-helix	trans	-68.8	-38.8	170.4	177.4	63.3	0	0	0	111.6	V658 L1007 R1008 D1009 A1014 E1015	V658-L1011 HydrophobicContact CB-CD2 4.11Å; V658-L1011 HydrophobicContact CG1-CD2 3.95Å; V658-L1011 HydrophobicContact CG2-CD2 4.37Å; L1007-L1011 WeakPolarHBondContact O-CB 3.48Å; L1007-L1011 PolarHBondContact O-N 2.98Å; R1008-L1011 WeakPolarHBondContact O-CB 3.45Å; R1008-L1011 PolarHBondContact O-N 3.42Å; D1009-L1011 VanDerWaalsContact C-N 3.29Å; D1009-L1011 PolarHBondContact O-N 3.36Å; L1011-A1014 PolarHBondContact O-N 3.37Å; L1011-E1015 HydrophobicContact CD1-CG 4.28Å; L1011-E1015 WeakPolarHBondContact O-CB 3.46Å; L1011-E1015 WeakPolarHBondContact O-CG 3.33Å; L1011-E1015 PolarHBondContact O-N 3.4Å
1012	K	61.7	Low	53.4	Low	100 Å²	100	78.2 Å²	78.2	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-42.5	176.6	-179.8	-175.8	167.3	-67.3	0	111.4	R1008 D1009 A1014 E1015 E1016	R1008-K1012 WeakPolarHBondContact O-CB 3.26Å; R1008-K1012 PolarHBondContact O-N 3.04Å; D1009-K1012 CarbonylContact O-C 3.58Å; D1009-K1012 WeakPolarHBondContact O-CA 3.49Å; D1009-K1012 WeakPolarHBondContact O-CB 3.25Å; D1009-K1012 PolarHBondContact O-N 3.45Å; K1012-A1014 VanDerWaalsContact C-N 3.34Å; K1012-E1015 PolarHBondContact O-N 2.87Å; K1012-E1016 VanDerWaalsContact CE-OE1 3.22Å; K1012-E1016 WeakPolarHBondContact CE-OE1 3.25Å; K1012-E1016 IonicContact NZ-OE1 3.2Å; K1012-E1016 PolarHBondContact NZ-OE1 3.05Å; K1012-E1016 IonicContact NZ-OE2 2.73Å; K1012-E1016 PolarHBondContact NZ-OE2 3.03Å; K1012-E1016 WeakPolarHBondContact O-CB 3.17Å; K1012-E1016 WeakPolarHBondContact O-CG 3.25Å; K1012-E1016 PolarHBondContact O-N 3.15Å
1013	E	55.6	Low	53.8	Low	126 Å²	126	77.7 Å²	77.7	59%	0.589	43%	0.427	S	S	*	.	H	α-helix	trans	-61.3	-41.5	172.4	-70.7	178.7	165.6	0	0	111.5	D1009 E1016 L1017	D1009-E1013 WeakPolarHBondContact O-CG 3.41Å; D1009-E1013 PolarHBondContact O-N 3.45Å; E1013-E1016 PolarHBondContact O-N 3.39Å; E1013-L1017 WeakPolarHBondContact O-CB 3.49Å; E1013-L1017 VanDerWaalsContact O-CG 3.29Å; E1013-L1017 WeakPolarHBondContact O-CG 3.46Å; E1013-L1017 PolarHBondContact O-N 3.49Å
1014	A	49.2	Very low	54.3	Low	34 Å²	34	74.7 Å²	74.7	28%	0.281	41%	0.413	S	S	.	.	H	α-helix	trans	-65.4	-39.2	174.7	0	0	0	0	0	113.1	G1010 L1011 K1012 A1018	G1010-A1014 WeakPolarHBondContact O-CB 3.32Å; G1010-A1014 PolarHBondContact O-N 3.33Å; L1011-A1014 PolarHBondContact O-N 3.37Å; K1012-A1014 VanDerWaalsContact C-N 3.34Å; A1014-A1018 WeakPolarHBondContact O-CB 3.07Å; A1014-A1018 PolarHBondContact O-N 2.92Å
1015	E	55.3	Low	54.6	Low	91 Å²	91	74.3 Å²	74.3	43%	0.425	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-36.5	174.9	-73.3	178.5	178.1	0	0	111.4	V651 S655 L1011 K1012 A1018 A1019	V651-E1015 HydrophobicContact CG1-CG 4.41Å; S655-E1015 PolarHBondContact OG-OE1 3.48Å; L1011-E1015 HydrophobicContact CD1-CG 4.28Å; L1011-E1015 WeakPolarHBondContact O-CB 3.46Å; L1011-E1015 WeakPolarHBondContact O-CG 3.33Å; L1011-E1015 PolarHBondContact O-N 3.4Å; K1012-E1015 PolarHBondContact O-N 2.87Å; E1015-A1018 PolarHBondContact O-N 2.65Å; E1015-A1019 WeakPolarHBondContact O-CB 3.22Å; E1015-A1019 PolarHBondContact O-N 3.34Å
1016	E	59.4	Low	54.9	Low	111 Å²	111	71.8 Å²	71.8	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-70.8	-37.5	173.8	-75.3	174.4	-178.3	0	0	112.8	K1012 E1013 A1019 G1020	K1012-E1016 VanDerWaalsContact CE-OE1 3.22Å; K1012-E1016 WeakPolarHBondContact CE-OE1 3.25Å; K1012-E1016 IonicContact NZ-OE1 3.2Å; K1012-E1016 PolarHBondContact NZ-OE1 3.05Å; K1012-E1016 IonicContact NZ-OE2 2.73Å; K1012-E1016 PolarHBondContact NZ-OE2 3.03Å; K1012-E1016 WeakPolarHBondContact O-CB 3.17Å; K1012-E1016 WeakPolarHBondContact O-CG 3.25Å; K1012-E1016 PolarHBondContact O-N 3.15Å; E1013-E1016 PolarHBondContact O-N 3.39Å; E1016-A1019 PolarHBondContact O-N 2.94Å; E1016-G1020 PolarHBondContact O-N 3.22Å
1017	L	52.8	Low	55.2	Low	123 Å²	123	71 Å²	71	64%	0.644	40%	0.4	S	S	*	.	H	α-helix	trans	-64.8	-42.3	171.5	-79	164	0	0	0	111.8	E1013 G1020 A1021	E1013-L1017 WeakPolarHBondContact O-CB 3.49Å; E1013-L1017 VanDerWaalsContact O-CG 3.29Å; E1013-L1017 WeakPolarHBondContact O-CG 3.46Å; E1013-L1017 PolarHBondContact O-N 3.49Å; L1017-G1020 PolarHBondContact O-N 2.85Å; L1017-A1021 PolarHBondContact O-N 3.06Å
1018	A	53.9	Low	55.5	Low	30 Å²	30	69.1 Å²	69.1	25%	0.248	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176.1	0	0	0	0	0	111.9	A1014 E1015 A1021 Q1022	A1014-A1018 WeakPolarHBondContact O-CB 3.07Å; A1014-A1018 PolarHBondContact O-N 2.92Å; E1015-A1018 PolarHBondContact O-N 2.65Å; A1018-A1021 PolarHBondContact O-N 2.94Å; A1018-Q1022 PolarHBondContact O-N 3.22Å
1019	A	61.6	Low	55.4	Low	55 Å²	55	64.8 Å²	64.8	46%	0.455	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-44.5	173.7	0	0	0	0	0	111.9	E1015 E1016 A1021 Q1022 E1023	E1015-A1019 WeakPolarHBondContact O-CB 3.22Å; E1015-A1019 PolarHBondContact O-N 3.34Å; E1016-A1019 PolarHBondContact O-N 2.94Å; A1019-A1021 VanDerWaalsContact C-N 3.32Å; A1019-A1021 PolarHBondContact O-N 2.93Å; A1019-Q1022 WeakPolarHBondContact O-CB 3.44Å; A1019-Q1022 PolarHBondContact O-N 3.08Å; A1019-Q1022 VanDerWaalsContact O-N 3.1Å; A1019-E1023 PolarHBondContact O-N 2.73Å
1020	G	55.7	Low	55.2	Low	9 Å²	9	63.6 Å²	63.6	9%	0.093	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-32.6	176.1	0	0	0	0	0	114	E1016 L1017 A1024	E1016-G1020 PolarHBondContact O-N 3.22Å; L1017-G1020 PolarHBondContact O-N 2.85Å; G1020-A1024 WeakPolarHBondContact O-CB 2.98Å; G1020-A1024 PolarHBondContact O-N 2.98Å; G1020-A1024 VanDerWaalsContact O-N 3.11Å
1021	A	52.4	Low	55.6	Low	45 Å²	45	62.4 Å²	62.4	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-69.5	-36.8	171.4	0	0	0	0	0	111.9	Q644 L1017 A1018 A1019 A1024 A1025	Q644-A1021 VanDerWaalsContact NE2-C 3.35Å; L1017-A1021 PolarHBondContact O-N 3.06Å; A1018-A1021 PolarHBondContact O-N 2.94Å; A1019-A1021 VanDerWaalsContact C-N 3.32Å; A1019-A1021 PolarHBondContact O-N 2.93Å; A1021-A1024 PolarHBondContact O-N 3.37Å; A1021-A1025 WeakPolarHBondContact O-CB 3.06Å; A1021-A1025 PolarHBondContact O-N 2.77Å
1022	Q	55.7	Low	55.6	Low	99 Å²	99	62.4 Å²	62.4	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-70.9	-38.3	178.7	-158.7	168.8	62.5	0	0	111.8	E648 A1018 A1019 A1025 A1026	E648-Q1022 PolarHBondContact OE1-NE2 2.86Å; A1018-Q1022 PolarHBondContact O-N 3.22Å; A1019-Q1022 WeakPolarHBondContact O-CB 3.44Å; A1019-Q1022 PolarHBondContact O-N 3.08Å; A1019-Q1022 VanDerWaalsContact O-N 3.1Å; Q1022-A1025 PolarHBondContact O-N 3.23Å; Q1022-A1026 WeakPolarHBondContact O-CB 3.35Å; Q1022-A1026 PolarHBondContact O-N 3.38Å
1023	E	57	Low	55.4	Low	133 Å²	133	60.3 Å²	60.3	62%	0.621	38%	0.378	S	S	*	.	H	α-helix	trans	-60.3	-47.7	169.1	-177.9	-178.9	-130.6	0	0	111.5	A1019 A1025 A1026 G1027	A1019-E1023 PolarHBondContact O-N 2.73Å; E1023-A1025 VanDerWaalsContact C-N 3.34Å; E1023-A1025 PolarHBondContact O-N 3.37Å; E1023-A1026 PolarHBondContact O-N 2.84Å; E1023-G1027 PolarHBondContact O-N 2.85Å
1024	A	53.6	Low	55.3	Low	40 Å²	40	56.7 Å²	56.7	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-38.4	176.8	0	0	0	0	0	112.7	G1020 A1021 A1028	G1020-A1024 WeakPolarHBondContact O-CB 2.98Å; G1020-A1024 PolarHBondContact O-N 2.98Å; G1020-A1024 VanDerWaalsContact O-N 3.11Å; A1021-A1024 PolarHBondContact O-N 3.37Å; A1024-A1028 WeakPolarHBondContact O-CB 3.08Å; A1024-A1028 PolarHBondContact O-N 2.87Å
1025	A	54.8	Low	55.7	Low	19 Å²	19	56.2 Å²	56.2	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-66.3	-38.9	174.1	0	0	0	0	0	112.2	A1021 Q1022 E1023 T1029	A1021-A1025 WeakPolarHBondContact O-CB 3.06Å; A1021-A1025 PolarHBondContact O-N 2.77Å; Q1022-A1025 PolarHBondContact O-N 3.23Å; E1023-A1025 VanDerWaalsContact C-N 3.34Å; E1023-A1025 PolarHBondContact O-N 3.37Å; A1025-T1029 WeakPolarHBondContact O-CB 2.99Å; A1025-T1029 PolarHBondContact O-N 3.1Å; A1025-T1029 PolarHBondContact O-OG1 3.04Å
1026	A	56	Low	55.8	Low	61 Å²	61	56 Å²	56	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.8	0	0	0	0	0	111.8	Q1022 E1023 T1029 A1030	Q1022-A1026 WeakPolarHBondContact O-CB 3.35Å; Q1022-A1026 PolarHBondContact O-N 3.38Å; E1023-A1026 PolarHBondContact O-N 2.84Å; A1026-T1029 WeakPolarHBondContact O-CB 3.4Å; A1026-T1029 PolarHBondContact O-N 3.12Å; A1026-T1029 VanDerWaalsContact O-N 3.14Å; A1026-A1030 PolarHBondContact O-N 2.65Å
1027	G	56.8	Low	55.6	Low	30 Å²	30	54.7 Å²	54.7	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175	0	0	0	0	0	112.6	E1023 T1029 A1030 A1031	E1023-G1027 PolarHBondContact O-N 2.85Å; G1027-T1029 VanDerWaalsContact C-N 3.25Å; G1027-T1029 PolarHBondContact O-N 3.36Å; G1027-A1030 PolarHBondContact O-N 2.81Å; G1027-A1030 VanDerWaalsContact O-N 3.16Å; G1027-A1031 PolarHBondContact O-N 2.79Å
1028	A	54.6	Low	55.7	Low	43 Å²	43	49.5 Å²	49.5	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-30	175.4	0	0	0	0	0	113.1	L637 A1024 L1032	L637-A1028 HydrophobicContact CD1-CB 3.63Å; A1024-A1028 WeakPolarHBondContact O-CB 3.08Å; A1024-A1028 PolarHBondContact O-N 2.87Å; A1028-L1032 WeakPolarHBondContact O-CB 3.43Å; A1028-L1032 PolarHBondContact O-N 3.26Å; A1028-L1032 VanDerWaalsContact O-N 3.15Å
1029	T	55.3	Low	56.1	Low	76 Å²	76	48.9 Å²	48.9	47%	0.466	32%	0.316	S	S	.	.	H	α-helix	trans	-70.9	-42.1	173.1	-55.9	0	0	0	0	111.8	A1025 A1026 G1027 L1032 A1033	A1025-T1029 WeakPolarHBondContact O-CB 2.99Å; A1025-T1029 PolarHBondContact O-N 3.1Å; A1025-T1029 PolarHBondContact O-OG1 3.04Å; A1026-T1029 WeakPolarHBondContact O-CB 3.4Å; A1026-T1029 PolarHBondContact O-N 3.12Å; A1026-T1029 VanDerWaalsContact O-N 3.14Å; G1027-T1029 VanDerWaalsContact C-N 3.25Å; G1027-T1029 PolarHBondContact O-N 3.36Å; T1029-L1032 PolarHBondContact O-N 2.79Å; T1029-A1033 PolarHBondContact O-N 2.66Å; T1029-A1033 VanDerWaalsContact O-N 3.13Å
1030	A	55.5	Low	55.8	Low	53 Å²	53	49.5 Å²	49.5	44%	0.438	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-44.8	175.9	0	0	0	0	0	111.9	A1026 G1027 L1032 A1033 N1034	A1026-A1030 PolarHBondContact O-N 2.65Å; G1027-A1030 PolarHBondContact O-N 2.81Å; G1027-A1030 VanDerWaalsContact O-N 3.16Å; A1030-L1032 VanDerWaalsContact C-N 3.32Å; A1030-L1032 PolarHBondContact O-N 3Å; A1030-A1033 WeakPolarHBondContact O-CB 3.43Å; A1030-A1033 PolarHBondContact O-N 2.02Å; A1030-A1033 VanDerWaalsContact O-N 3.1Å; A1030-N1034 PolarHBondContact O-N 2.69Å
1031	A	54.3	Low	55.7	Low	9 Å²	9	50 Å²	50	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-61.4	-37.9	176.6	0	0	0	0	0	112.5	F571 G1027 N1034 A1035	F571-A1031 HydrophobicContact CE1-CB 3.62Å; F571-A1031 HydrophobicContact CZ-CB 3.78Å; G1027-A1031 PolarHBondContact O-N 2.79Å; A1031-N1034 PolarHBondContact O-N 3.4Å; A1031-A1035 WeakPolarHBondContact O-CB 3.01Å; A1031-A1035 PolarHBondContact O-N 2.87Å
1032	L	57.5	Low	56	Low	23 Å²	23	48.4 Å²	48.4	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-40.2	172.9	179.8	65.5	0	0	0	112.1	E630 L633 Q634 L637 A1028 T1029 A1030 K1036	E630-L1032 HydrophobicContact CG-CD1 4.06Å; L633-L1032 HydrophobicContact CB-CD1 4.1Å; Q634-L1032 HydrophobicContact CB-CD1 4.4Å; Q634-L1032 HydrophobicContact CB-CD2 3.78Å; Q634-L1032 HydrophobicContact CG-CD2 3.88Å; L637-L1032 HydrophobicContact CD2-CB 4.49Å; L637-L1032 HydrophobicContact CD2-CD2 3.66Å; A1028-L1032 WeakPolarHBondContact O-CB 3.43Å; A1028-L1032 PolarHBondContact O-N 3.26Å; A1028-L1032 VanDerWaalsContact O-N 3.15Å; T1029-L1032 PolarHBondContact O-N 2.79Å; A1030-L1032 VanDerWaalsContact C-N 3.32Å; A1030-L1032 PolarHBondContact O-N 3Å; L1032-K1036 WeakPolarHBondContact O-CB 3.4Å; L1032-K1036 PolarHBondContact O-N 2.81Å
1033	A	55.9	Low	56	Low	57 Å²	57	47 Å²	47	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-40.4	176.1	0	0	0	0	0	112.2	T1029 A1030 Q1037	T1029-A1033 PolarHBondContact O-N 2.66Å; T1029-A1033 VanDerWaalsContact O-N 3.13Å; A1030-A1033 WeakPolarHBondContact O-CB 3.43Å; A1030-A1033 PolarHBondContact O-N 2.02Å; A1030-A1033 VanDerWaalsContact O-N 3.1Å; A1033-Q1037 WeakPolarHBondContact O-CB 3.19Å; A1033-Q1037 PolarHBondContact O-N 3.41Å
1034	N	54.5	Low	56	Low	49 Å²	49	47 Å²	47	26%	0.262	29%	0.294	S	S	.	.	H	α-helix	trans	-64.6	-46.1	175.2	-71.3	-9.5	0	0	0	111.9	A1030 A1031 K1036 Q1037 S1038	A1030-N1034 PolarHBondContact O-N 2.69Å; A1031-N1034 PolarHBondContact O-N 3.4Å; N1034-K1036 PolarHBondContact O-N 3.36Å; N1034-Q1037 PolarHBondContact O-N 2.87Å; N1034-S1038 PolarHBondContact O-N 2.89Å; N1034-S1038 PolarHBondContact O-OG 2.92Å; N1034-S1038 VanDerWaalsContact O-OG 3.09Å
1035	A	56.8	Low	55.9	Low	25 Å²	25	47.3 Å²	47.3	21%	0.207	29%	0.292	C	S	.	.	H	α-helix	trans	-60.9	-42.8	177.4	0	0	0	0	0	112.1	A1031 S1038 K1039	A1031-A1035 WeakPolarHBondContact O-CB 3.01Å; A1031-A1035 PolarHBondContact O-N 2.87Å; A1035-S1038 PolarHBondContact O-N 2.03Å; A1035-K1039 WeakPolarHBondContact O-CB 3.23Å; A1035-K1039 PolarHBondContact O-N 2.88Å; A1035-K1039 VanDerWaalsContact O-N 3.09Å
1036	K	56.8	Low	56	Low	86 Å²	86	47.4 Å²	47.4	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-50.7	173.3	-179.1	-174	-164.3	90.3	0	111.7	E630 L1032 N1034 S1038 K1039 D1040	E630-K1036 HydrophobicContact CG-CB 4.47Å; E630-K1036 VanDerWaalsContact OE1-CG 3.32Å; E630-K1036 WeakPolarHBondContact OE1-CG 3.39Å; E630-K1036 IonicContact OE1-NZ 2.69Å; E630-K1036 PolarHBondContact OE1-NZ 3.16Å; L1032-K1036 WeakPolarHBondContact O-CB 3.4Å; L1032-K1036 PolarHBondContact O-N 2.81Å; N1034-K1036 PolarHBondContact O-N 3.36Å; K1036-S1038 VanDerWaalsContact C-N 3.31Å; K1036-S1038 PolarHBondContact O-N 3.09Å; K1036-K1039 PolarHBondContact O-N 3.09Å; K1036-D1040 VanDerWaalsContact O-CG 3.28Å; K1036-D1040 PolarHBondContact O-N 3.04Å
1037	Q	56.4	Low	56	Low	84 Å²	84	52.6 Å²	52.6	39%	0.393	30%	0.296	S	S	.	.	H	α-helix	trans	-60.9	-40.1	-178.2	-170.2	-176.4	97.4	0	0	112.2	A1033 N1034 D1040 A1041	A1033-Q1037 WeakPolarHBondContact O-CB 3.19Å; A1033-Q1037 PolarHBondContact O-N 3.41Å; N1034-Q1037 PolarHBondContact O-N 2.87Å; Q1037-D1040 PolarHBondContact O-N 3Å; Q1037-A1041 PolarHBondContact O-N 3.1Å; Q1037-A1041 VanDerWaalsContact O-N 3.11Å
1038	S	54.2	Low	55.8	Low	13 Å²	13	53.9 Å²	53.9	9%	0.091	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-42.5	175.9	-65.5	0	0	0	0	112.3	N1034 A1035 K1036 V1042 Q1088	N1034-S1038 PolarHBondContact O-N 2.89Å; N1034-S1038 PolarHBondContact O-OG 2.92Å; N1034-S1038 VanDerWaalsContact O-OG 3.09Å; A1035-S1038 PolarHBondContact O-N 2.03Å; K1036-S1038 VanDerWaalsContact C-N 3.31Å; K1036-S1038 PolarHBondContact O-N 3.09Å; S1038-V1042 WeakPolarHBondContact O-CG2 3.26Å; S1038-V1042 PolarHBondContact O-N 3.4Å; S1038-V1042 VanDerWaalsContact O-N 3.14Å; S1038-Q1088 PolarHBondContact OG-OE1 3.48Å
1039	K	62.1	Low	55.7	Low	17 Å²	17	54.3 Å²	54.3	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-37.7	176.7	176.7	-123.9	64.2	-164.6	0	112.2	L626 T627 E630 A1035 K1036 V1042 Q1043	L626-K1039 HydrophobicContact CB-CG 4.24Å; T627-K1039 HydrophobicContact CG2-CD 4.32Å; E630-K1039 WeakPolarHBondContact OE2-CD 3.42Å; E630-K1039 IonicContact OE2-NZ 3.54Å; E630-K1039 PolarHBondContact OE2-NZ 3.04Å; A1035-K1039 WeakPolarHBondContact O-CB 3.23Å; A1035-K1039 PolarHBondContact O-N 2.88Å; A1035-K1039 VanDerWaalsContact O-N 3.09Å; K1036-K1039 PolarHBondContact O-N 3.09Å; K1039-V1042 PolarHBondContact O-N 3.41Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.06Å; K1039-Q1043 PolarHBondContact O-N 3.44Å
1040	D	56.1	Low	55.6	Low	69 Å²	69	53.7 Å²	53.7	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-43.9	176.3	-67.7	-21.3	0	0	0	110.8	K1036 Q1037 V1042 Q1043 E1044	K1036-D1040 VanDerWaalsContact O-CG 3.28Å; K1036-D1040 PolarHBondContact O-N 3.04Å; Q1037-D1040 PolarHBondContact O-N 3Å; D1040-V1042 PolarHBondContact O-N 3.39Å; D1040-Q1043 PolarHBondContact O-N 3.34Å; D1040-E1044 PolarHBondContact O-N 2.8Å
1041	A	54.2	Low	55.5	Low	19 Å²	19	55.5 Å²	55.5	16%	0.157	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-37.9	175.7	0	0	0	0	0	113.3	Q1037 E1044 T1045	Q1037-A1041 PolarHBondContact O-N 3.1Å; Q1037-A1041 VanDerWaalsContact O-N 3.11Å; A1041-E1044 PolarHBondContact O-N 3.49Å; A1041-T1045 PolarHBondContact O-N 3.3Å; A1041-T1045 PolarHBondContact O-OG1 3.5Å
1042	V	57.2	Low	55.4	Low	12 Å²	12	57.7 Å²	57.7	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-60.9	-42.4	172	155	0	0	0	0	111.7	Y581 A623 S1038 K1039 D1040 T1045 L1046	Y581-V1042 HydrophobicContact CD1-CG2 4.45Å; Y581-V1042 HydrophobicContact CE1-CG1 4.42Å; Y581-V1042 HydrophobicContact CE1-CG2 3.79Å; Y581-V1042 HydrophobicContact CE2-CG1 4.12Å; Y581-V1042 WeakPolarHBondContact OH-CG1 3.01Å; A623-V1042 HydrophobicContact CB-CG1 3.75Å; S1038-V1042 WeakPolarHBondContact O-CG2 3.26Å; S1038-V1042 PolarHBondContact O-N 3.4Å; S1038-V1042 VanDerWaalsContact O-N 3.14Å; K1039-V1042 PolarHBondContact O-N 3.41Å; D1040-V1042 PolarHBondContact O-N 3.39Å; V1042-T1045 PolarHBondContact O-N 3.46Å; V1042-L1046 HydrophobicContact CG1-CD1 4.09Å; V1042-L1046 PolarHBondContact O-N 3.32Å
1043	Q	57.1	Low	55.1	Low	70 Å²	70	58.3 Å²	58.3	33%	0.327	31%	0.312	S	S	.	.	H	α-helix	trans	-69.1	-37.9	178.5	-73.2	179.1	-13.4	0	0	112.6	A623 T627 K1039 D1040 T1045 L1046 R1047	A623-Q1043 HydrophobicContact CB-CG 4.41Å; T627-Q1043 PolarHBondContact OG1-NE2 2.8Å; T627-Q1043 VanDerWaalsContact OG1-NE2 3.15Å; K1039-Q1043 WeakPolarHBondContact O-CG 3.06Å; K1039-Q1043 PolarHBondContact O-N 3.44Å; D1040-Q1043 PolarHBondContact O-N 3.34Å; Q1043-T1045 VanDerWaalsContact C-N 3.34Å; Q1043-L1046 PolarHBondContact O-N 3.21Å; Q1043-R1047 WeakPolarHBondContact O-CB 3.3Å; Q1043-R1047 PolarHBondContact O-N 3.35Å
1044	E	55.7	Low	54.9	Low	131 Å²	131	58.6 Å²	58.6	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-63	-39.8	173.5	-170.2	113.4	-117.1	0	0	111.9	D1040 A1041 S1048	D1040-E1044 PolarHBondContact O-N 2.8Å; A1041-E1044 PolarHBondContact O-N 3.49Å; E1044-S1048 PolarHBondContact O-N 3.03Å; E1044-S1048 PolarHBondContact O-OG 3.37Å
1045	T	52.9	Low	54.8	Low	47 Å²	47	61.5 Å²	61.5	29%	0.288	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-52.4	175.1	-55	0	0	0	0	111.3	A1041 V1042 Q1043 R1047 S1048 V1049 A1077	A1041-T1045 PolarHBondContact O-N 3.3Å; A1041-T1045 PolarHBondContact O-OG1 3.5Å; V1042-T1045 PolarHBondContact O-N 3.46Å; Q1043-T1045 VanDerWaalsContact C-N 3.34Å; T1045-R1047 VanDerWaalsContact C-N 3.31Å; T1045-R1047 PolarHBondContact O-N 3.14Å; T1045-S1048 WeakPolarHBondContact O-CB 3.49Å; T1045-S1048 PolarHBondContact O-N 3.13Å; T1045-S1048 VanDerWaalsContact O-N 3.12Å; T1045-V1049 PolarHBondContact O-N 3.48Å; T1045-V1049 VanDerWaalsContact O-N 3.11Å; T1045-A1077 HydrophobicContact CG2-CB 4.13Å
1046	L	55.3	Low	54.5	Low	22 Å²	22	64 Å²	64	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-56.3	-43.6	177.1	-91.2	159.9	0	0	0	112.5	L619 Q620 A623 V1042 Q1043 S1048 V1049 S1050	L619-L1046 HydrophobicContact CB-CD2 4.06Å; Q620-L1046 HydrophobicContact CB-CD1 4.41Å; Q620-L1046 HydrophobicContact CB-CD2 4.35Å; A623-L1046 HydrophobicContact CB-CD1 4.02Å; V1042-L1046 HydrophobicContact CG1-CD1 4.09Å; V1042-L1046 PolarHBondContact O-N 3.32Å; Q1043-L1046 PolarHBondContact O-N 3.21Å; L1046-S1048 VanDerWaalsContact C-N 3.33Å; L1046-S1048 PolarHBondContact O-N 2.9Å; L1046-V1049 PolarHBondContact O-N 3.47Å; L1046-S1050 WeakPolarHBondContact O-CB 3.38Å; L1046-S1050 PolarHBondContact O-N 2.84Å
1047	R	57.3	Low	54	Low	170 Å²	170	66.6 Å²	66.6	64%	0.642	36%	0.357	S	S	*	.	H	α-helix	trans	-64.7	-35.9	178	179.4	174.3	142.1	101.7	-1.4	112.2	Q1043 T1045 N1051	Q1043-R1047 WeakPolarHBondContact O-CB 3.3Å; Q1043-R1047 PolarHBondContact O-N 3.35Å; T1045-R1047 VanDerWaalsContact C-N 3.31Å; T1045-R1047 PolarHBondContact O-N 3.14Å; R1047-N1051 VanDerWaalsContact O-CG 3.28Å; R1047-N1051 PolarHBondContact O-N 2.88Å; R1047-N1051 PolarHBondContact O-ND2 3.49Å; R1047-N1051 VanDerWaalsContact O-ND2 3.1Å
1048	S	52.1	Low	53.5	Low	57 Å²	57	67.5 Å²	67.5	40%	0.399	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-47.4	173.9	-62.3	0	0	0	0	112.1	E1044 T1045 L1046 N1051 M1052	E1044-S1048 PolarHBondContact O-N 3.03Å; E1044-S1048 PolarHBondContact O-OG 3.37Å; T1045-S1048 WeakPolarHBondContact O-CB 3.49Å; T1045-S1048 PolarHBondContact O-N 3.13Å; T1045-S1048 VanDerWaalsContact O-N 3.12Å; L1046-S1048 VanDerWaalsContact C-N 3.33Å; L1046-S1048 PolarHBondContact O-N 2.9Å; S1048-N1051 PolarHBondContact O-N 3.01Å; S1048-M1052 WeakPolarHBondContact O-CG 3.2Å; S1048-M1052 PolarHBondContact O-N 3.34Å
1049	V	53.1	Low	53.4	Low	52 Å²	52	69 Å²	69	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-69.1	-36.1	178.9	-172.5	0	0	0	0	111.8	M616 T1045 L1046 N1051 M1052 L1053	M616-V1049 HydrophobicContact CE-CB 3.84Å; M616-V1049 HydrophobicContact CE-CG1 3.76Å; M616-V1049 HydrophobicContact SD-CB 4.25Å; M616-V1049 HydrophobicContact SD-CG1 3.5Å; M616-V1049 VanDerWaalsContact SD-CG1 3.5Å; T1045-V1049 PolarHBondContact O-N 3.48Å; T1045-V1049 VanDerWaalsContact O-N 3.11Å; L1046-V1049 PolarHBondContact O-N 3.47Å; V1049-N1051 VanDerWaalsContact C-N 3.33Å; V1049-N1051 PolarHBondContact O-N 3.3Å; V1049-M1052 WeakPolarHBondContact O-CB 3.37Å; V1049-M1052 PolarHBondContact O-N 3.49Å; V1049-L1053 PolarHBondContact O-N 3.24Å; V1049-L1053 VanDerWaalsContact O-N 3.13Å
1050	S	52.8	Low	52.8	Low	62 Å²	62	74.9 Å²	74.9	43%	0.434	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-39.2	177.7	-172.6	0	0	0	0	112.1	L1046 M1052 L1053 A1054	L1046-S1050 WeakPolarHBondContact O-CB 3.38Å; L1046-S1050 PolarHBondContact O-N 2.84Å; S1050-M1052 VanDerWaalsContact C-N 3.25Å; S1050-M1052 PolarHBondContact O-N 3.21Å; S1050-L1053 PolarHBondContact O-N 3.46Å; S1050-A1054 PolarHBondContact O-N 3.09Å
1051	N	53.3	Low	52.4	Low	91 Å²	91	77.6 Å²	77.6	49%	0.487	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-27.8	172.1	-71.3	-31	0	0	0	112.9	R1047 S1048 V1049 N1055	R1047-N1051 VanDerWaalsContact O-CG 3.28Å; R1047-N1051 PolarHBondContact O-N 2.88Å; R1047-N1051 PolarHBondContact O-ND2 3.49Å; R1047-N1051 VanDerWaalsContact O-ND2 3.1Å; S1048-N1051 PolarHBondContact O-N 3.01Å; V1049-N1051 VanDerWaalsContact C-N 3.33Å; V1049-N1051 PolarHBondContact O-N 3.3Å; N1051-N1055 PolarHBondContact O-N 2.04Å; N1051-N1055 PolarHBondContact O-ND2 3.26Å
1052	M	52	Low	52.3	Low	55 Å²	55	81.5 Å²	81.5	27%	0.271	47%	0.471	S	S	.	.	H	α-helix	trans	-73.2	-46.6	176	-62	164.5	-172	0	0	111.5	S1048 V1049 S1050 A1054 N1055 L1056 L1070 A1073	S1048-M1052 WeakPolarHBondContact O-CG 3.2Å; S1048-M1052 PolarHBondContact O-N 3.34Å; V1049-M1052 WeakPolarHBondContact O-CB 3.37Å; V1049-M1052 PolarHBondContact O-N 3.49Å; S1050-M1052 VanDerWaalsContact C-N 3.25Å; S1050-M1052 PolarHBondContact O-N 3.21Å; M1052-A1054 VanDerWaalsContact C-N 3.3Å; M1052-A1054 PolarHBondContact O-N 3.32Å; M1052-N1055 PolarHBondContact O-N 3.17Å; M1052-L1056 PolarHBondContact O-N 2.87Å; M1052-L1070 HydrophobicContact CB-CD1 4.15Å; M1052-L1070 HydrophobicContact CG-CD1 4.17Å; M1052-L1070 HydrophobicContact SD-CD1 3.6Å; M1052-A1073 HydrophobicContact CE-CB 3.65Å
1053	L	52.5	Low	51.9	Low	37 Å²	37	85 Å²	85	19%	0.194	49%	0.489	C	S	.	.	H	α-helix	trans	-60.5	-38.3	174.9	-73.9	-178.2	0	0	0	112.5	L609 E613 M616 V1049 S1050 N1055 L1056 N1057	L609-L1053 HydrophobicContact CD2-CD2 4.35Å; E613-L1053 HydrophobicContact CG-CD1 4.39Å; M616-L1053 HydrophobicContact CE-CD1 4.23Å; M616-L1053 HydrophobicContact SD-CD1 3.43Å; M616-L1053 WeakPolarHBondContact SD-CD1 3.42Å; M616-L1053 HydrophobicContact SD-CG 4.29Å; V1049-L1053 PolarHBondContact O-N 3.24Å; V1049-L1053 VanDerWaalsContact O-N 3.13Å; S1050-L1053 PolarHBondContact O-N 3.46Å; L1053-N1055 VanDerWaalsContact C-N 3.29Å; L1053-N1055 PolarHBondContact O-N 2.84Å; L1053-L1056 HydrophobicContact CD2-CD1 4.33Å; L1053-L1056 PolarHBondContact O-N 2.64Å; L1053-N1057 PolarHBondContact O-N 3.39Å
1054	A	51.7	Low	51.5	Low	63 Å²	63	89.7 Å²	89.7	52%	0.521	51%	0.511	S	S	.	.	H	α-helix	trans	-60.6	-37.5	176.2	0	0	0	0	0	112.7	S1050 M1052	S1050-A1054 PolarHBondContact O-N 3.09Å; M1052-A1054 VanDerWaalsContact C-N 3.3Å; M1052-A1054 PolarHBondContact O-N 3.32Å
1055	N	51.2	Low	51.3	Low	110 Å²	110	86.5 Å²	86.5	59%	0.588	50%	0.496	S	S	*	.	H	α-helix	trans	-72.5	-37	177.5	-70.9	-35.7	0	0	0	112.6	N1051 M1052 L1053 N1057 S1058	N1051-N1055 PolarHBondContact O-N 2.04Å; N1051-N1055 PolarHBondContact O-ND2 3.26Å; M1052-N1055 PolarHBondContact O-N 3.17Å; L1053-N1055 VanDerWaalsContact C-N 3.29Å; L1053-N1055 PolarHBondContact O-N 2.84Å; N1055-N1057 PolarHBondContact O-N 3.46Å; N1055-S1058 WeakPolarHBondContact O-CB 3.4Å; N1055-S1058 PolarHBondContact O-N 2.95Å; N1055-S1058 PolarHBondContact O-OG 3.02Å
1056	L	50	Low	51.1	Low	77 Å²	77	89 Å²	89	40%	0.403	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-28	179	-75	165.7	0	0	0	113.3	M1052 L1053 S1058	M1052-L1056 PolarHBondContact O-N 2.87Å; L1053-L1056 HydrophobicContact CD2-CD1 4.33Å; L1053-L1056 PolarHBondContact O-N 2.64Å; L1056-S1058 PolarHBondContact O-N 2.93Å
1057	N	47.7	Very low	50.8	Low	140 Å²	140	92.6 Å²	92.6	75%	0.749	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	6.1	178.3	-103.6	-43.1	0	0	0	114.7	L1053 N1055	L1053-N1057 PolarHBondContact O-N 3.39Å; N1055-N1057 PolarHBondContact O-N 3.46Å
1058	S	46	Very low	50.8	Low	104 Å²	104	89.9 Å²	89.9	73%	0.727	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-14.1	-168.8	69.7	0	0	0	0	116.7	N1055 L1056	N1055-S1058 WeakPolarHBondContact O-CB 3.4Å; N1055-S1058 PolarHBondContact O-N 2.95Å; N1055-S1058 PolarHBondContact O-OG 3.02Å; L1056-S1058 PolarHBondContact O-N 2.93Å
1059	G	51.6	Low	50.7	Low	45 Å²	45	94.3 Å²	94.3	46%	0.464	52%	0.521	S	S	.	.			trans	-172.4	158.6	-179.1	0	0	0	0	0	115.3	V1061	G1059-V1061 PolarHBondContact O-N 2.88Å
1060	P	48.7	Very low	50.5	Low	139 Å²	139	94.3 Å²	94.3	90%	0.903	52%	0.519	S	S	*	.	S	Bend	trans	-89.7	22.4	-164.8	37.3	-38.8	0	0	0	115.7
1061	V	49.1	Very low	50.5	Low	126 Å²	126	97.6 Å²	97.6	76%	0.764	53%	0.528	S	S	*	.			trans	-138.2	123.9	175.9	-175.1	0	0	0	0	108.9	G1059	G1059-V1061 PolarHBondContact O-N 2.88Å
1062	V	50.3	Low	50.5	Low	101 Å²	101	97.4 Å²	97.4	61%	0.612	52%	0.524	S	S	*	.			trans	-86.9	133.8	175.9	-178.8	0	0	0	0	109.1
1063	D	49.5	Very low	50.3	Low	85 Å²	85	96 Å²	96	46%	0.455	52%	0.521	S	S	.	.			trans	-95.8	136.9	-178.8	178.5	11.8	0	0	0	111.2	E1065 Q1066 L1067	D1063-E1065 VanDerWaalsContact C-N 3.3Å; D1063-E1065 PolarHBondContact O-N 3.03Å; D1063-E1065 PolarHBondContact OD1-N 3.25Å; D1063-Q1066 HydrophobicContact CB-CB 4.28Å; D1063-Q1066 HydrophobicContact CB-CG 3.89Å; D1063-Q1066 WeakPolarHBondContact O-CB 3.06Å; D1063-Q1066 PolarHBondContact O-N 3.49Å; D1063-L1067 PolarHBondContact O-N 3.25Å
1064	E	50	Low	50.2	Low	169 Å²	169	96.8 Å²	96.8	79%	0.79	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-32.7	-175.5	-156	168	-136	0	0	111.4	Q1066 L1067 R1068	E1064-Q1066 VanDerWaalsContact C-N 3.32Å; E1064-L1067 PolarHBondContact O-N 3.41Å; E1064-R1068 PolarHBondContact O-N 2.74Å; E1064-R1068 VanDerWaalsContact O-N 3.09Å
1065	E	50.1	Low	50.5	Low	64 Å²	64	95.6 Å²	95.6	30%	0.299	52%	0.518	S	S	.	.	H	α-helix	trans	-76.1	-17.4	173.4	173.4	61.7	-171.5	0	0	112.6	D1063 R1068 R1069	D1063-E1065 VanDerWaalsContact C-N 3.3Å; D1063-E1065 PolarHBondContact O-N 3.03Å; D1063-E1065 PolarHBondContact OD1-N 3.25Å; E1065-R1068 IonicContact OE1-NH2 2.78Å; E1065-R1068 PolarHBondContact OE1-NH2 3.1Å; E1065-R1068 IonicContact OE2-CZ 2.64Å; E1065-R1068 IonicContact OE2-NE 3.33Å; E1065-R1068 PolarHBondContact OE2-NE 2.94Å; E1065-R1068 IonicContact OE2-NH2 3.78Å; E1065-R1068 PolarHBondContact OE2-NH2 3.45Å; E1065-R1069 VanDerWaalsContact O-CD 3.27Å; E1065-R1069 WeakPolarHBondContact O-CD 3.36Å; E1065-R1069 WeakPolarHBondContact O-CG 3.45Å; E1065-R1069 IonicContact OE1-CZ 3.27Å; E1065-R1069 IonicContact OE1-NE 2.74Å; E1065-R1069 PolarHBondContact OE1-NE 3.02Å; E1065-R1069 IonicContact OE1-NH2 2.87Å; E1065-R1069 PolarHBondContact OE1-NH2 2.85Å
1066	Q	48.6	Very low	50.6	Low	100 Å²	100	97.2 Å²	97.2	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-75.8	-39.6	167.1	-68.7	177.3	-10.4	0	0	111.1	D1063 E1064 R1069 L1070	D1063-Q1066 HydrophobicContact CB-CB 4.28Å; D1063-Q1066 HydrophobicContact CB-CG 3.89Å; D1063-Q1066 WeakPolarHBondContact O-CB 3.06Å; D1063-Q1066 PolarHBondContact O-N 3.49Å; E1064-Q1066 VanDerWaalsContact C-N 3.32Å; Q1066-R1069 PolarHBondContact O-N 3.19Å; Q1066-L1070 PolarHBondContact O-N 3.04Å; Q1066-L1070 VanDerWaalsContact O-N 3.14Å
1067	L	50.3	Low	50.5	Low	97 Å²	97	94.8 Å²	94.8	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-45.6	178.6	-167.8	68.6	0	0	0	111.7	D1063 E1064 R1069 L1070 E1071	D1063-L1067 PolarHBondContact O-N 3.25Å; E1064-L1067 PolarHBondContact O-N 3.41Å; L1067-R1069 VanDerWaalsContact C-N 3.25Å; L1067-R1069 PolarHBondContact O-N 3.42Å; L1067-L1070 WeakPolarHBondContact O-CA 3.05Å; L1067-L1070 WeakPolarHBondContact O-CB 3.34Å; L1067-L1070 PolarHBondContact O-N 2.86Å; L1067-E1071 PolarHBondContact O-N 2.04Å; L1067-E1071 VanDerWaalsContact O-N 3.13Å
1068	R	55.5	Low	50.8	Low	114 Å²	114	92 Å²	92	43%	0.43	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-31.2	177.2	-160.5	-179.2	67.1	72.3	6.6	113.1	E1064 E1065 L1070 E1072	E1064-R1068 PolarHBondContact O-N 2.74Å; E1064-R1068 VanDerWaalsContact O-N 3.09Å; E1065-R1068 IonicContact OE1-NH2 2.78Å; E1065-R1068 PolarHBondContact OE1-NH2 3.1Å; E1065-R1068 IonicContact OE2-CZ 2.64Å; E1065-R1068 IonicContact OE2-NE 3.33Å; E1065-R1068 PolarHBondContact OE2-NE 2.94Å; E1065-R1068 IonicContact OE2-NH2 3.78Å; E1065-R1068 PolarHBondContact OE2-NH2 3.45Å; R1068-L1070 VanDerWaalsContact C-N 3.35Å; R1068-E1072 IonicContact CZ-OE1 2.69Å; R1068-E1072 IonicContact NH1-OE1 2.79Å; R1068-E1072 PolarHBondContact NH1-OE1 2.96Å; R1068-E1072 PolarHBondContact O-N 3.17Å
1069	R	51.6	Low	51.4	Low	150 Å²	150	89.5 Å²	89.5	57%	0.566	48%	0.475	S	S	*	.	H	α-helix	trans	-73.4	-25.9	172.5	-71.8	171.7	-170.7	-169	6.4	112.9	E1065 Q1066 L1067 A1073	E1065-R1069 VanDerWaalsContact O-CD 3.27Å; E1065-R1069 WeakPolarHBondContact O-CD 3.36Å; E1065-R1069 WeakPolarHBondContact O-CG 3.45Å; E1065-R1069 IonicContact OE1-CZ 3.27Å; E1065-R1069 IonicContact OE1-NE 2.74Å; E1065-R1069 PolarHBondContact OE1-NE 3.02Å; E1065-R1069 IonicContact OE1-NH2 2.87Å; E1065-R1069 PolarHBondContact OE1-NH2 2.85Å; Q1066-R1069 PolarHBondContact O-N 3.19Å; L1067-R1069 VanDerWaalsContact C-N 3.25Å; L1067-R1069 PolarHBondContact O-N 3.42Å; R1069-A1073 VanDerWaalsContact O-CB 3.31Å; R1069-A1073 WeakPolarHBondContact O-CB 3.46Å; R1069-A1073 PolarHBondContact O-N 3.3Å; R1069-A1073 VanDerWaalsContact O-N 3.17Å
1070	L	48.8	Very low	51.4	Low	51 Å²	51	91.4 Å²	91.4	27%	0.267	47%	0.472	S	S	.	.	H	α-helix	trans	-68	-48.6	172.6	-149.2	83.6	0	0	0	110.3	F592 M1052 Q1066 L1067 R1068 A1073 L1074	F592-L1070 HydrophobicContact CE1-CD2 4Å; F592-L1070 HydrophobicContact CZ-CD2 4.47Å; M1052-L1070 HydrophobicContact CB-CD1 4.15Å; M1052-L1070 HydrophobicContact CG-CD1 4.17Å; M1052-L1070 HydrophobicContact SD-CD1 3.6Å; Q1066-L1070 PolarHBondContact O-N 3.04Å; Q1066-L1070 VanDerWaalsContact O-N 3.14Å; L1067-L1070 WeakPolarHBondContact O-CA 3.05Å; L1067-L1070 WeakPolarHBondContact O-CB 3.34Å; L1067-L1070 PolarHBondContact O-N 2.86Å; R1068-L1070 VanDerWaalsContact C-N 3.35Å; L1070-A1073 PolarHBondContact O-N 2.04Å; L1070-A1073 VanDerWaalsContact O-N 3.12Å; L1070-L1074 PolarHBondContact O-N 2.04Å
1071	E	52	Low	51.7	Low	132 Å²	132	86.8 Å²	86.8	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-58.7	-49.9	177	-65.3	179.1	131	0	0	112	L1067 A1073 L1074 G1075	L1067-E1071 PolarHBondContact O-N 2.04Å; L1067-E1071 VanDerWaalsContact O-N 3.13Å; E1071-A1073 PolarHBondContact O-N 2.82Å; E1071-L1074 PolarHBondContact O-N 3.23Å; E1071-G1075 PolarHBondContact O-N 2.65Å
1072	E	53.9	Low	52	Low	86 Å²	86	85 Å²	85	40%	0.402	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-31.1	176.3	-74.5	-170.7	-155.1	0	0	112.8	R1068 R1076	R1068-E1072 IonicContact CZ-OE1 2.69Å; R1068-E1072 IonicContact NH1-OE1 2.79Å; R1068-E1072 PolarHBondContact NH1-OE1 2.96Å; R1068-E1072 PolarHBondContact O-N 3.17Å; E1072-R1076 VanDerWaalsContact C-NH2 3.34Å; E1072-R1076 VanDerWaalsContact CB-NH2 3.27Å; E1072-R1076 VanDerWaalsContact O-CG 3.32Å; E1072-R1076 WeakPolarHBondContact O-CG 3.4Å; E1072-R1076 PolarHBondContact O-N 2.03Å; E1072-R1076 PolarHBondContact O-NE 2.93Å; E1072-R1076 PolarHBondContact O-NH2 3.29Å; E1072-R1076 IonicContact OE2-CZ 2.65Å; E1072-R1076 IonicContact OE2-NH1 3.17Å; E1072-R1076 PolarHBondContact OE2-NH1 3.18Å; E1072-R1076 IonicContact OE2-NH2 2.81Å; E1072-R1076 PolarHBondContact OE2-NH2 3.44Å
1073	A	47.2	Very low	52.3	Low	25 Å²	25	85.8 Å²	85.8	21%	0.207	43%	0.432	C	S	.	.	H	α-helix	trans	-75.5	-38.5	177.4	0	0	0	0	0	112.2	M1052 R1069 L1070 E1071 R1076 A1077	M1052-A1073 HydrophobicContact CE-CB 3.65Å; R1069-A1073 VanDerWaalsContact O-CB 3.31Å; R1069-A1073 WeakPolarHBondContact O-CB 3.46Å; R1069-A1073 PolarHBondContact O-N 3.3Å; R1069-A1073 VanDerWaalsContact O-N 3.17Å; L1070-A1073 PolarHBondContact O-N 2.04Å; L1070-A1073 VanDerWaalsContact O-N 3.12Å; E1071-A1073 PolarHBondContact O-N 2.82Å; A1073-R1076 PolarHBondContact O-N 3.29Å; A1073-A1077 PolarHBondContact O-N 2.04Å
1074	L	51.6	Low	52.4	Low	55 Å²	55	86 Å²	86	29%	0.288	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-51.1	176.7	-169.6	67.4	0	0	0	110.8	F592 L1070 E1071 R1076 A1077 E1078	F592-L1074 HydrophobicContact CB-CD2 3.8Å; F592-L1074 HydrophobicContact CD2-CD1 4.35Å; F592-L1074 HydrophobicContact CD2-CD2 3.72Å; F592-L1074 HydrophobicContact CE2-CD2 4.48Å; F592-L1074 HydrophobicContact CG-CD2 3.84Å; L1070-L1074 PolarHBondContact O-N 2.04Å; E1071-L1074 PolarHBondContact O-N 3.23Å; L1074-R1076 PolarHBondContact O-N 3.37Å; L1074-A1077 PolarHBondContact O-N 2.84Å; L1074-E1078 PolarHBondContact O-N 3.5Å
1075	G	56.2	Low	52.6	Low	37 Å²	37	79.5 Å²	79.5	38%	0.381	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-25.5	178.5	0	0	0	0	0	114.3	E1071 A1079	E1071-G1075 PolarHBondContact O-N 2.65Å; G1075-A1079 WeakPolarHBondContact O-CB 3.22Å; G1075-A1079 PolarHBondContact O-N 2.97Å
1076	R	53.3	Low	53.1	Low	144 Å²	144	82.8 Å²	82.8	54%	0.543	41%	0.407	S	S	.	.	H	α-helix	trans	-71	-42.2	171.1	-78.9	-178.3	-72.4	-108.3	0.1	112	E1072 A1073 L1074 E1080	E1072-R1076 VanDerWaalsContact C-NH2 3.34Å; E1072-R1076 VanDerWaalsContact CB-NH2 3.27Å; E1072-R1076 VanDerWaalsContact O-CG 3.32Å; E1072-R1076 WeakPolarHBondContact O-CG 3.4Å; E1072-R1076 PolarHBondContact O-N 2.03Å; E1072-R1076 PolarHBondContact O-NE 2.93Å; E1072-R1076 PolarHBondContact O-NH2 3.29Å; E1072-R1076 IonicContact OE2-CZ 2.65Å; E1072-R1076 IonicContact OE2-NH1 3.17Å; E1072-R1076 PolarHBondContact OE2-NH1 3.18Å; E1072-R1076 IonicContact OE2-NH2 2.81Å; E1072-R1076 PolarHBondContact OE2-NH2 3.44Å; A1073-R1076 PolarHBondContact O-N 3.29Å; L1074-R1076 PolarHBondContact O-N 3.37Å; R1076-E1080 PolarHBondContact O-N 3.04Å
1077	A	49.2	Very low	53.7	Low	26 Å²	26	81.2 Å²	81.2	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-66.7	-39.7	175.9	0	0	0	0	0	112.1	T1045 A1073 L1074 E1080 V1081	T1045-A1077 HydrophobicContact CG2-CB 4.13Å; A1073-A1077 PolarHBondContact O-N 2.04Å; L1074-A1077 PolarHBondContact O-N 2.84Å; A1077-E1080 PolarHBondContact O-N 2.85Å; A1077-V1081 WeakPolarHBondContact O-CG2 3.18Å; A1077-V1081 PolarHBondContact O-N 3.39Å; A1077-V1081 VanDerWaalsContact O-N 3.1Å
1078	E	53.4	Low	54	Low	82 Å²	82	78.3 Å²	78.3	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177.2	-146.6	-163.8	123.3	0	0	112	L1074 E1080 V1081 L1082	L1074-E1078 PolarHBondContact O-N 3.5Å; E1078-E1080 VanDerWaalsContact C-N 3.34Å; E1078-E1080 PolarHBondContact O-N 2.86Å; E1078-V1081 PolarHBondContact O-N 2.01Å; E1078-L1082 PolarHBondContact O-N 2.74Å; E1078-L1082 VanDerWaalsContact O-N 3.1Å
1079	A	57.9	Low	54	Low	51 Å²	51	74.5 Å²	74.5	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-39	176.7	0	0	0	0	0	112.5	G1075 L1082 V1083	G1075-A1079 WeakPolarHBondContact O-CB 3.22Å; G1075-A1079 PolarHBondContact O-N 2.97Å; A1079-L1082 PolarHBondContact O-N 2.87Å; A1079-V1083 WeakPolarHBondContact O-CB 3.36Å; A1079-V1083 VanDerWaalsContact O-CG2 3.29Å; A1079-V1083 WeakPolarHBondContact O-CG2 2.97Å; A1079-V1083 PolarHBondContact O-N 3.49Å
1080	E	52.3	Low	54.4	Low	85 Å²	85	71.5 Å²	71.5	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-69.1	-36	178.6	-172.6	155	-161.4	0	0	112.3	R1076 A1077 E1078 R1084	R1076-E1080 PolarHBondContact O-N 3.04Å; A1077-E1080 PolarHBondContact O-N 2.85Å; E1078-E1080 VanDerWaalsContact C-N 3.34Å; E1078-E1080 PolarHBondContact O-N 2.86Å; E1080-R1084 HydrophobicContact CG-CB 4.47Å; E1080-R1084 WeakPolarHBondContact O-CB 3.48Å; E1080-R1084 PolarHBondContact O-N 3.2Å; E1080-R1084 VanDerWaalsContact O-N 3.08Å; E1080-R1084 IonicContact OE1-CZ 3.46Å; E1080-R1084 IonicContact OE1-NH1 3.61Å; E1080-R1084 PolarHBondContact OE1-NH1 3.18Å
1081	V	54.3	Low	54.7	Low	43 Å²	43	72.4 Å²	72.4	26%	0.261	38%	0.377	S	S	.	.	I	π-helix	trans	-63.1	-45.2	172.4	174.5	0	0	0	0	111.4	L585 A1077 E1078 L1085 R1086	L585-V1081 HydrophobicContact CD1-CG1 4.5Å; L585-V1081 HydrophobicContact CD1-CG2 3.88Å; A1077-V1081 WeakPolarHBondContact O-CG2 3.18Å; A1077-V1081 PolarHBondContact O-N 3.39Å; A1077-V1081 VanDerWaalsContact O-N 3.1Å; E1078-V1081 PolarHBondContact O-N 2.01Å; V1081-L1085 HydrophobicContact CB-CD1 4.47Å; V1081-L1085 HydrophobicContact CG1-CD1 4.48Å; V1081-L1085 HydrophobicContact CG2-CD1 4.08Å; V1081-L1085 WeakPolarHBondContact O-CB 3.22Å; V1081-L1085 PolarHBondContact O-N 3.23Å; V1081-R1086 PolarHBondContact O-N 3.47Å
1082	L	56.8	Low	54.7	Low	87 Å²	87	67 Å²	67	46%	0.455	35%	0.352	S	S	.	.	I	π-helix	trans	-70.5	-40.8	-178	-80	166.5	0	0	0	113.6	E1078 A1079 R1086	E1078-L1082 PolarHBondContact O-N 2.74Å; E1078-L1082 VanDerWaalsContact O-N 3.1Å; A1079-L1082 PolarHBondContact O-N 2.87Å; L1082-R1086 VanDerWaalsContact CD2-NH1 3.33Å
1083	V	55.5	Low	54.9	Low	119 Å²	119	66.8 Å²	66.8	72%	0.721	35%	0.351	S	S	*	.	I	π-helix	trans	-81.4	-28.6	-175.5	173.8	0	0	0	0	112.5	A1079	A1079-V1083 WeakPolarHBondContact O-CB 3.36Å; A1079-V1083 VanDerWaalsContact O-CG2 3.29Å; A1079-V1083 WeakPolarHBondContact O-CG2 2.97Å; A1079-V1083 PolarHBondContact O-N 3.49Å
1084	R	52.6	Low	55.5	Low	89 Å²	89	71.5 Å²	71.5	34%	0.336	37%	0.373	S	S	.	.	I	π-helix	trans	-115	-51.6	-167.2	-160.2	176.7	179.3	-178.1	-0.5	113.7	E1080 Q1088	E1080-R1084 HydrophobicContact CG-CB 4.47Å; E1080-R1084 WeakPolarHBondContact O-CB 3.48Å; E1080-R1084 PolarHBondContact O-N 3.2Å; E1080-R1084 VanDerWaalsContact O-N 3.08Å; E1080-R1084 IonicContact OE1-CZ 3.46Å; E1080-R1084 IonicContact OE1-NH1 3.61Å; E1080-R1084 PolarHBondContact OE1-NH1 3.18Å; R1084-Q1088 WeakPolarHBondContact O-CG 3.2Å; R1084-Q1088 PolarHBondContact O-OE1 2.9Å
1085	L	54.2	Low	55.6	Low	33 Å²	33	71.6 Å²	71.6	17%	0.173	37%	0.372	C	S	.	.	I	π-helix	trans	-77.6	-33.1	-172.4	-80.9	162.4	0	0	0	113.6	M578 V1081 L1089	M578-L1085 HydrophobicContact CE-CD2 3.68Å; V1081-L1085 HydrophobicContact CB-CD1 4.47Å; V1081-L1085 HydrophobicContact CG1-CD1 4.48Å; V1081-L1085 HydrophobicContact CG2-CD1 4.08Å; V1081-L1085 WeakPolarHBondContact O-CB 3.22Å; V1081-L1085 PolarHBondContact O-N 3.23Å; L1085-L1089 PolarHBondContact O-N 2.8Å
1086	R	59.9	Low	55.4	Low	132 Å²	132	71 Å²	71	50%	0.498	36%	0.359	S	S	.	.	H	α-helix	trans	-70.1	-51.1	179.8	-178.8	171.7	-73.9	150.1	1.6	113.3	V1081 L1082 Q1088 L1089 D1090	V1081-R1086 PolarHBondContact O-N 3.47Å; L1082-R1086 VanDerWaalsContact CD2-NH1 3.33Å; R1086-Q1088 PolarHBondContact O-N 3.23Å; R1086-L1089 VanDerWaalsContact O-CB 3.3Å; R1086-L1089 WeakPolarHBondContact O-CB 3.2Å; R1086-L1089 PolarHBondContact O-N 3.39Å; R1086-D1090 PolarHBondContact O-N 3.17Å
1087	P	60.9	Low	55.7	Low	68 Å²	68	68.7 Å²	68.7	44%	0.442	36%	0.355	S	S	.	.	H	α-helix	trans	-63	-26.5	179.7	-22.9	34.9	0	0	0	113.9	L1089 D1091	P1087-L1089 VanDerWaalsContact C-N 3.32Å; P1087-D1091 PolarHBondContact O-N 3.07Å
1088	Q	56.4	Low	56	Low	35 Å²	35	70.3 Å²	70.3	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-73.5	-21.2	173.4	-72.7	-177.1	-44.7	0	0	113.3	S1038 R1084 R1086 M1092	S1038-Q1088 PolarHBondContact OG-OE1 3.48Å; R1084-Q1088 WeakPolarHBondContact O-CG 3.2Å; R1084-Q1088 PolarHBondContact O-OE1 2.9Å; R1086-Q1088 PolarHBondContact O-N 3.23Å; Q1088-M1092 VanDerWaalsContact O-CG 3.28Å; Q1088-M1092 WeakPolarHBondContact O-CG 3.4Å
1089	L	56.7	Low	55.9	Low	35 Å²	35	70.7 Å²	70.7	18%	0.183	37%	0.37	C	S	.	.	H	α-helix	trans	-75.1	-44.6	173.8	-164	69.2	0	0	0	110.2	R575 M578 L1085 R1086 P1087 M1092 E1093	R575-L1089 HydrophobicContact CB-CD1 4.36Å; R575-L1089 HydrophobicContact CG-CD1 4.26Å; M578-L1089 HydrophobicContact CB-CD1 4.11Å; M578-L1089 HydrophobicContact SD-CD1 4.18Å; L1085-L1089 PolarHBondContact O-N 2.8Å; R1086-L1089 VanDerWaalsContact O-CB 3.3Å; R1086-L1089 WeakPolarHBondContact O-CB 3.2Å; R1086-L1089 PolarHBondContact O-N 3.39Å; P1087-L1089 VanDerWaalsContact C-N 3.32Å; L1089-M1092 WeakPolarHBondContact O-CB 3.48Å; L1089-M1092 PolarHBondContact O-N 3.31Å; L1089-M1092 VanDerWaalsContact O-N 3.14Å; L1089-E1093 WeakPolarHBondContact O-CG 3.44Å; L1089-E1093 PolarHBondContact O-N 3.42Å
1090	D	59.6	Low	55.8	Low	86 Å²	86	76.2 Å²	76.2	46%	0.46	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-46.1	-178.4	-51.8	-26.6	0	0	0	111.6	R1086 M1092 E1093 D1094	R1086-D1090 PolarHBondContact O-N 3.17Å; D1090-M1092 PolarHBondContact O-N 3.18Å; D1090-E1093 PolarHBondContact O-N 3.39Å; D1090-D1094 PolarHBondContact O-N 2.84Å
1091	D	55.9	Low	56.1	Low	70 Å²	70	79.9 Å²	79.9	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-57.9	-32.2	175	174.1	56.9	0	0	0	113.3	P1087 E1093 Q1095	P1087-D1091 PolarHBondContact O-N 3.07Å; D1091-E1093 VanDerWaalsContact C-N 3.35Å; D1091-Q1095 VanDerWaalsContact CG-NE2 3.27Å; D1091-Q1095 WeakPolarHBondContact O-CG 3.35Å; D1091-Q1095 PolarHBondContact O-N 3.4Å; D1091-Q1095 PolarHBondContact O-NE2 3.41Å; D1091-Q1095 PolarHBondContact OD1-NE2 2.92Å; D1091-Q1095 PolarHBondContact OD2-NE2 3.29Å; D1091-Q1095 VanDerWaalsContact OD2-NE2 3.1Å
1092	M	51.9	Low	56.1	Low	18 Å²	18	83.7 Å²	83.7	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-77.5	-18.9	177.6	-66.5	176.2	71.5	0	0	113	F571 I574 Q1088 L1089 D1090 E1096	F571-M1092 HydrophobicContact CB-CE 3.96Å; F571-M1092 HydrophobicContact CD1-CE 3.42Å; F571-M1092 VanDerWaalsContact CD1-CE 3.42Å; F571-M1092 HydrophobicContact CE1-CE 4.12Å; F571-M1092 HydrophobicContact CG-CE 3.79Å; I574-M1092 HydrophobicContact CG2-CE 4.44Å; Q1088-M1092 VanDerWaalsContact O-CG 3.28Å; Q1088-M1092 WeakPolarHBondContact O-CG 3.4Å; L1089-M1092 WeakPolarHBondContact O-CB 3.48Å; L1089-M1092 PolarHBondContact O-N 3.31Å; L1089-M1092 VanDerWaalsContact O-N 3.14Å; D1090-M1092 PolarHBondContact O-N 3.18Å; M1092-E1096 PolarHBondContact O-N 2.89Å
1093	E	57.7	Low	55.8	Low	83 Å²	83	84.8 Å²	84.8	39%	0.388	41%	0.405	S	S	.	.	H	α-helix	trans	-80.6	-43.5	174.4	-54.1	-150.3	117.2	0	0	111.7	R575 L1089 D1090 D1091 Q1095 E1096 E1097	R575-E1093 WeakPolarHBondContact CD-OE1 3.4Å; R575-E1093 IonicContact CZ-OE1 2.88Å; R575-E1093 IonicContact NE-OE1 3.92Å; R575-E1093 PolarHBondContact NE-OE1 3.24Å; R575-E1093 IonicContact NH1-OE1 2.95Å; R575-E1093 PolarHBondContact NH1-OE1 3.29Å; L1089-E1093 WeakPolarHBondContact O-CG 3.44Å; L1089-E1093 PolarHBondContact O-N 3.42Å; D1090-E1093 PolarHBondContact O-N 3.39Å; D1091-E1093 VanDerWaalsContact C-N 3.35Å; E1093-Q1095 VanDerWaalsContact C-N 3.27Å; E1093-Q1095 PolarHBondContact O-N 3.29Å; E1093-E1096 WeakPolarHBondContact O-CB 3.48Å; E1093-E1096 PolarHBondContact O-N 3.16Å; E1093-E1096 VanDerWaalsContact O-N 3.09Å; E1093-E1097 PolarHBondContact O-N 3.22Å; E1093-E1097 VanDerWaalsContact O-N 3.11Å
1094	D	59.8	Low	56	Low	123 Å²	123	83.5 Å²	83.5	66%	0.658	40%	0.398	S	S	*	.	H	α-helix	trans	-59	-39.8	175.6	-84.4	-21.1	0	0	0	111.5	D1090 E1097 A1098	D1090-D1094 PolarHBondContact O-N 2.84Å; D1094-E1097 PolarHBondContact O-N 3.38Å; D1094-A1098 PolarHBondContact O-N 3.32Å; D1094-A1098 VanDerWaalsContact O-N 3.14Å
1095	Q	53.6	Low	56.1	Low	57 Å²	57	81.6 Å²	81.6	27%	0.266	40%	0.401	S	S	.	.	H	α-helix	trans	-69.2	-33.9	175.2	-67.3	176.1	38	0	0	112.8	F571 D1091 E1093 H1099	F571-Q1095 HydrophobicContact CE2-CB 4.32Å; D1091-Q1095 VanDerWaalsContact CG-NE2 3.27Å; D1091-Q1095 WeakPolarHBondContact O-CG 3.35Å; D1091-Q1095 PolarHBondContact O-N 3.4Å; D1091-Q1095 PolarHBondContact O-NE2 3.41Å; D1091-Q1095 PolarHBondContact OD1-NE2 2.92Å; D1091-Q1095 PolarHBondContact OD2-NE2 3.29Å; D1091-Q1095 VanDerWaalsContact OD2-NE2 3.1Å; E1093-Q1095 VanDerWaalsContact C-N 3.27Å; E1093-Q1095 PolarHBondContact O-N 3.29Å; Q1095-H1099 PolarHBondContact O-CD2 3.01Å; Q1095-H1099 VanDerWaalsContact O-CD2 3.23Å; Q1095-H1099 PolarHBondContact O-N 3.4Å
1096	E	52	Low	55.8	Low	24 Å²	24	84 Å²	84	11%	0.112	41%	0.414	C	S	.	.	H	α-helix	trans	-60.2	-46	171.7	156.7	163.7	-107.5	0	0	111.1	T569 T572 R575 M1092 E1093 R1100	T569-E1096 WeakPolarHBondContact CB-OE1 3.28Å; T569-E1096 HydrophobicContact CG2-CB 4.49Å; T569-E1096 HydrophobicContact CG2-CG 3.77Å; T569-E1096 VanDerWaalsContact CG2-OE1 3.25Å; T569-E1096 WeakPolarHBondContact CG2-OE1 3.13Å; T569-E1096 VanDerWaalsContact OG1-CD 3.25Å; T569-E1096 PolarHBondContact OG1-OE1 3.01Å; T572-E1096 PolarHBondContact OG1-OE1 2.96Å; R575-E1096 IonicContact CZ-OE2 3.45Å; R575-E1096 IonicContact NH1-OE2 3.61Å; R575-E1096 PolarHBondContact NH1-OE2 3.32Å; R575-E1096 IonicContact NH2-OE1 3.43Å; R575-E1096 IonicContact NH2-OE2 2.72Å; R575-E1096 PolarHBondContact NH2-OE2 3.41Å; M1092-E1096 PolarHBondContact O-N 2.89Å; E1093-E1096 WeakPolarHBondContact O-CB 3.48Å; E1093-E1096 PolarHBondContact O-N 3.16Å; E1093-E1096 VanDerWaalsContact O-N 3.09Å; E1096-R1100 WeakPolarHBondContact O-CB 3.48Å; E1096-R1100 PolarHBondContact O-N 2.85Å; E1096-R1100 VanDerWaalsContact O-N 3.09Å
1097	E	59.3	Low	55.4	Low	96 Å²	96	82.1 Å²	82.1	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-71.1	-37.9	-177.3	-143.3	-157.2	129	0	0	112.6	E1093 D1094 H1099 R1100 R1101	E1093-E1097 PolarHBondContact O-N 3.22Å; E1093-E1097 VanDerWaalsContact O-N 3.11Å; D1094-E1097 PolarHBondContact O-N 3.38Å; E1097-H1099 PolarHBondContact O-N 2.69Å; E1097-R1100 PolarHBondContact O-N 3.04Å; E1097-R1101 WeakPolarHBondContact O-CG 3.32Å; E1097-R1101 PolarHBondContact O-N 2.87Å; E1097-R1101 IonicContact OE1-CZ 3.93Å; E1097-R1101 IonicContact OE1-NE 3.2Å; E1097-R1101 PolarHBondContact OE1-NE 3.04Å; E1097-R1101 IonicContact OE1-NH2 2.62Å; E1097-R1101 PolarHBondContact OE1-NH2 3.43Å; E1097-R1101 IonicContact OE2-NH2 2.69Å; E1097-R1101 PolarHBondContact OE2-NH2 2.95Å
1098	A	55	Low	55.2	Low	61 Å²	61	81.2 Å²	81.2	50%	0.504	41%	0.411	S	S	.	.	H	α-helix	trans	-58.2	-46.9	175.3	0	0	0	0	0	112.2	D1094 R1100 R1101 R1102	D1094-A1098 PolarHBondContact O-N 3.32Å; D1094-A1098 VanDerWaalsContact O-N 3.14Å; A1098-R1100 PolarHBondContact O-N 2.95Å; A1098-R1101 PolarHBondContact O-N 3.22Å; A1098-R1102 PolarHBondContact O-N 3.31Å
1099	H	51.4	Low	55	Low	89 Å²	89	84.2 Å²	84.2	41%	0.412	43%	0.429	S	S	.	.	H	α-helix	trans	-64.5	-37.9	175.4	-80.1	-61.3	0	0	0	112.7	Q1095 E1097 R1102 L1103	Q1095-H1099 PolarHBondContact O-CD2 3.01Å; Q1095-H1099 VanDerWaalsContact O-CD2 3.23Å; Q1095-H1099 PolarHBondContact O-N 3.4Å; E1097-H1099 PolarHBondContact O-N 2.69Å; H1099-R1102 PolarHBondContact O-N 3.49Å; H1099-L1103 PolarHBondContact O-N 3.45Å
1100	R	55.4	Low	54.7	Low	167 Å²	167	86.4 Å²	86.4	63%	0.63	44%	0.44	S	S	*	.	H	α-helix	trans	-63.3	-42.3	178.4	-163.5	175.3	-166.9	161.3	5.4	112	E1096 E1097 A1098 R1102 L1103 T1104	E1096-R1100 WeakPolarHBondContact O-CB 3.48Å; E1096-R1100 PolarHBondContact O-N 2.85Å; E1096-R1100 VanDerWaalsContact O-N 3.09Å; E1097-R1100 PolarHBondContact O-N 3.04Å; A1098-R1100 PolarHBondContact O-N 2.95Å; R1100-R1102 VanDerWaalsContact C-N 3.35Å; R1100-R1102 PolarHBondContact O-N 3.32Å; R1100-L1103 PolarHBondContact O-N 3.37Å; R1100-T1104 PolarHBondContact O-N 2.81Å; R1100-T1104 PolarHBondContact O-OG1 3.33Å; R1100-T1104 VanDerWaalsContact O-OG1 3.11Å
1101	R	59.6	Low	54.7	Low	163 Å²	163	86.6 Å²	86.6	62%	0.615	44%	0.441	S	S	*	.	H	α-helix	trans	-61.5	-40.3	174.7	-66.9	170.7	-173.9	-178.5	6.2	111.8	E1097 A1098 T1104 A1105	E1097-R1101 WeakPolarHBondContact O-CG 3.32Å; E1097-R1101 PolarHBondContact O-N 2.87Å; E1097-R1101 IonicContact OE1-CZ 3.93Å; E1097-R1101 IonicContact OE1-NE 3.2Å; E1097-R1101 PolarHBondContact OE1-NE 3.04Å; E1097-R1101 IonicContact OE1-NH2 2.62Å; E1097-R1101 PolarHBondContact OE1-NH2 3.43Å; E1097-R1101 IonicContact OE2-NH2 2.69Å; E1097-R1101 PolarHBondContact OE2-NH2 2.95Å; A1098-R1101 PolarHBondContact O-N 3.22Å; R1101-T1104 PolarHBondContact O-N 3.08Å; R1101-A1105 PolarHBondContact O-N 2.87Å
1102	R	53.5	Low	54.6	Low	122 Å²	122	85.2 Å²	85.2	46%	0.46	44%	0.436	S	S	.	.	H	α-helix	trans	-66.7	-38	178.3	-162.1	171.7	-173.5	162.5	2.5	113	A1098 H1099 R1100 A1105 I1106	A1098-R1102 PolarHBondContact O-N 3.31Å; H1099-R1102 PolarHBondContact O-N 3.49Å; R1100-R1102 VanDerWaalsContact C-N 3.35Å; R1100-R1102 PolarHBondContact O-N 3.32Å; R1102-A1105 PolarHBondContact O-N 2.85Å; R1102-I1106 PolarHBondContact O-N 3.1Å
1103	L	50.4	Low	54.5	Low	110 Å²	110	89.3 Å²	89.3	58%	0.576	46%	0.458	S	S	*	.	H	α-helix	trans	-64.7	-36.7	173	-85.4	162.9	0	0	0	112.8	H1099 R1100 A1105 N1107	H1099-L1103 PolarHBondContact O-N 3.45Å; R1100-L1103 PolarHBondContact O-N 3.37Å; L1103-A1105 VanDerWaalsContact C-N 3.33Å; L1103-A1105 PolarHBondContact O-N 3.29Å; L1103-N1107 PolarHBondContact O-N 2.78Å; L1103-N1107 PolarHBondContact O-ND2 2.84Å
1104	T	59.8	Low	54.4	Low	93 Å²	93	90.2 Å²	90.2	57%	0.571	47%	0.465	S	S	*	.	H	α-helix	trans	-65.1	-35.8	176.3	-53.3	0	0	0	0	112.3	R1100 R1101 A1108	R1100-T1104 PolarHBondContact O-N 2.81Å; R1100-T1104 PolarHBondContact O-OG1 3.33Å; R1100-T1104 VanDerWaalsContact O-OG1 3.11Å; R1101-T1104 PolarHBondContact O-N 3.08Å; T1104-A1108 PolarHBondContact O-N 3.34Å
1105	A	54.5	Low	54.6	Low	49 Å²	49	90.9 Å²	90.9	41%	0.405	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-52	176	0	0	0	0	0	111.9	R1101 R1102 L1103 N1107 A1108 D1109	R1101-A1105 PolarHBondContact O-N 2.87Å; R1102-A1105 PolarHBondContact O-N 2.85Å; L1103-A1105 VanDerWaalsContact C-N 3.33Å; L1103-A1105 PolarHBondContact O-N 3.29Å; A1105-N1107 PolarHBondContact O-N 2.89Å; A1105-N1107 VanDerWaalsContact O-N 3.16Å; A1105-A1108 WeakPolarHBondContact O-CA 3.46Å; A1105-A1108 WeakPolarHBondContact O-CB 3.37Å; A1105-A1108 PolarHBondContact O-N 3.25Å; A1105-D1109 PolarHBondContact O-N 3.34Å
1106	I	48.1	Very low	54.5	Low	84 Å²	84	92.3 Å²	92.3	43%	0.431	47%	0.467	S	S	.	.	H	α-helix	trans	-55.8	-38.2	-179.2	-65.4	166.3	0	0	0	111.9	R1102 D1109 I1110	R1102-I1106 PolarHBondContact O-N 3.1Å; I1106-D1109 PolarHBondContact O-N 3.42Å; I1106-I1110 HydrophobicContact CG2-CD1 4.18Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.44Å; I1106-I1110 PolarHBondContact O-N 3.18Å; I1106-I1110 VanDerWaalsContact O-N 3.13Å
1107	N	52.9	Low	54.5	Low	91 Å²	91	95.1 Å²	95.1	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-68.3	-35.4	175.9	-69.1	-20.4	0	0	0	112.6	L1103 A1105 D1109 I1110 D1111	L1103-N1107 PolarHBondContact O-N 2.78Å; L1103-N1107 PolarHBondContact O-ND2 2.84Å; A1105-N1107 PolarHBondContact O-N 2.89Å; A1105-N1107 VanDerWaalsContact O-N 3.16Å; N1107-D1109 VanDerWaalsContact C-N 3.33Å; N1107-I1110 PolarHBondContact O-N 3.3Å; N1107-D1111 WeakPolarHBondContact O-CB 3.16Å; N1107-D1111 PolarHBondContact O-N 3.21Å
1108	A	56.5	Low	54.6	Low	49 Å²	49	93.1 Å²	93.1	41%	0.405	48%	0.482	S	S	.	.	H	α-helix	trans	-69.3	-31.6	176.5	0	0	0	0	0	112.6	T1104 A1105 S1112	T1104-A1108 PolarHBondContact O-N 3.34Å; A1105-A1108 WeakPolarHBondContact O-CA 3.46Å; A1105-A1108 WeakPolarHBondContact O-CB 3.37Å; A1105-A1108 PolarHBondContact O-N 3.25Å; A1108-S1112 PolarHBondContact O-N 2.96Å
1109	D	51.8	Low	54.6	Low	98 Å²	98	94.4 Å²	94.4	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-68.1	-45.4	173.6	-56.3	-37.2	0	0	0	110.9	A1105 I1106 N1107 D1111 S1112 I1113	A1105-D1109 PolarHBondContact O-N 3.34Å; I1106-D1109 PolarHBondContact O-N 3.42Å; N1107-D1109 VanDerWaalsContact C-N 3.33Å; D1109-D1111 PolarHBondContact O-N 2.88Å; D1109-S1112 WeakPolarHBondContact O-CA 3.28Å; D1109-S1112 WeakPolarHBondContact O-CB 3.08Å; D1109-S1112 PolarHBondContact O-N 2.67Å; D1109-I1113 PolarHBondContact O-N 3.26Å
1110	I	50.8	Low	54.6	Low	82 Å²	82	95.7 Å²	95.7	42%	0.421	49%	0.49	S	S	.	.	H	α-helix	trans	-58.8	-46.8	173	-68.3	165.6	0	0	0	110.8	I1106 N1107 S1112 I1113 L1114	I1106-I1110 HydrophobicContact CG2-CD1 4.18Å; I1106-I1110 WeakPolarHBondContact O-CG1 3.44Å; I1106-I1110 PolarHBondContact O-N 3.18Å; I1106-I1110 VanDerWaalsContact O-N 3.13Å; N1107-I1110 PolarHBondContact O-N 3.3Å; I1110-S1112 PolarHBondContact O-N 3.28Å; I1110-I1113 PolarHBondContact O-N 3.27Å; I1110-L1114 HydrophobicContact CG2-CD1 4.04Å; I1110-L1114 WeakPolarHBondContact O-CG 3.44Å; I1110-L1114 PolarHBondContact O-N 2.92Å
1111	D	58.7	Low	54.5	Low	89 Å²	89	91.9 Å²	91.9	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-61.4	-24.3	174.7	-78	-16.2	0	0	0	112.3	N1107 D1109 R1115	N1107-D1111 WeakPolarHBondContact O-CB 3.16Å; N1107-D1111 PolarHBondContact O-N 3.21Å; D1109-D1111 PolarHBondContact O-N 2.88Å; D1111-R1115 WeakPolarHBondContact O-CG 3.3Å; D1111-R1115 PolarHBondContact O-N 3.19Å; D1111-R1115 PolarHBondContact O-NE 3.46Å; D1111-R1115 PolarHBondContact O-NH1 3.32Å; D1111-R1115 VanDerWaalsContact O-NH1 3.15Å
1112	S	53.9	Low	54.6	Low	41 Å²	41	89.1 Å²	89.1	29%	0.287	48%	0.476	S	S	.	.	H	α-helix	trans	-77.5	-48.7	174.3	-145.1	0	0	0	0	112.2	A1108 D1109 I1110 L1114 R1115 D1116	A1108-S1112 PolarHBondContact O-N 2.96Å; D1109-S1112 WeakPolarHBondContact O-CA 3.28Å; D1109-S1112 WeakPolarHBondContact O-CB 3.08Å; D1109-S1112 PolarHBondContact O-N 2.67Å; I1110-S1112 PolarHBondContact O-N 3.28Å; S1112-L1114 PolarHBondContact O-N 3.13Å; S1112-R1115 VanDerWaalsContact CB-NH2 3.29Å; S1112-R1115 CarbonylContact O-C 3.32Å; S1112-R1115 WeakPolarHBondContact O-CA 3.35Å; S1112-R1115 WeakPolarHBondContact O-CB 3.37Å; S1112-R1115 PolarHBondContact O-N 3.5Å; S1112-R1115 PolarHBondContact OG-NH2 3.13Å; S1112-D1116 PolarHBondContact O-N 3.46Å; S1112-D1116 VanDerWaalsContact O-OD2 3.11Å
1113	I	50.3	Low	54.5	Low	105 Å²	105	87.5 Å²	87.5	54%	0.538	48%	0.476	S	S	.	.	H	α-helix	trans	-55.3	-39.5	175.8	-65	164.3	0	0	0	110.6	D1109 I1110 D1116 I1117	D1109-I1113 PolarHBondContact O-N 3.26Å; I1110-I1113 PolarHBondContact O-N 3.27Å; I1113-D1116 PolarHBondContact O-N 3.47Å; I1113-I1117 HydrophobicContact CG2-CD1 4.03Å; I1113-I1117 VanDerWaalsContact O-CG1 3.27Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.39Å; I1113-I1117 PolarHBondContact O-N 3.44Å
1114	L	55.9	Low	54.8	Low	101 Å²	101	88.4 Å²	88.4	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-68.5	-32.1	175.8	-67.9	172.1	0	0	0	113.6	I1110 S1112 A1118	I1110-L1114 HydrophobicContact CG2-CD1 4.04Å; I1110-L1114 WeakPolarHBondContact O-CG 3.44Å; I1110-L1114 PolarHBondContact O-N 2.92Å; S1112-L1114 PolarHBondContact O-N 3.13Å; L1114-A1118 WeakPolarHBondContact O-CB 3.33Å; L1114-A1118 PolarHBondContact O-N 3.24Å; L1114-A1118 VanDerWaalsContact O-N 3.16Å
1115	R	63.3	Low	54.5	Low	138 Å²	138	89.3 Å²	89.3	52%	0.521	47%	0.473	S	S	.	.	H	α-helix	trans	-71.2	-39.3	170.7	-74.6	179.8	-61.3	-97.9	1.6	112	D1111 S1112 A1118 N1119	D1111-R1115 WeakPolarHBondContact O-CG 3.3Å; D1111-R1115 PolarHBondContact O-N 3.19Å; D1111-R1115 PolarHBondContact O-NE 3.46Å; D1111-R1115 PolarHBondContact O-NH1 3.32Å; D1111-R1115 VanDerWaalsContact O-NH1 3.15Å; S1112-R1115 VanDerWaalsContact CB-NH2 3.29Å; S1112-R1115 CarbonylContact O-C 3.32Å; S1112-R1115 WeakPolarHBondContact O-CA 3.35Å; S1112-R1115 WeakPolarHBondContact O-CB 3.37Å; S1112-R1115 PolarHBondContact O-N 3.5Å; S1112-R1115 PolarHBondContact OG-NH2 3.13Å; R1115-A1118 PolarHBondContact O-N 2.91Å; R1115-N1119 WeakPolarHBondContact O-CB 3.45Å; R1115-N1119 PolarHBondContact O-N 3.48Å
1116	D	51.7	Low	54.4	Low	86 Å²	86	90.9 Å²	90.9	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-68	-38.7	-180	-63.4	-39.4	0	0	0	111	S1112 I1113 N1119 L1120	S1112-D1116 PolarHBondContact O-N 3.46Å; S1112-D1116 VanDerWaalsContact O-OD2 3.11Å; I1113-D1116 PolarHBondContact O-N 3.47Å; D1116-N1119 PolarHBondContact O-N 3.44Å; D1116-L1120 WeakPolarHBondContact O-CG 3.48Å; D1116-L1120 PolarHBondContact O-N 3Å
1117	I	52.4	Low	54.3	Low	84 Å²	84	91.7 Å²	91.7	43%	0.431	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-52.6	168.6	-69.9	164.3	0	0	0	110.5	I1113 N1119 L1120 E1121	I1113-I1117 HydrophobicContact CG2-CD1 4.03Å; I1113-I1117 VanDerWaalsContact O-CG1 3.27Å; I1113-I1117 WeakPolarHBondContact O-CG1 3.39Å; I1113-I1117 PolarHBondContact O-N 3.44Å; I1117-N1119 VanDerWaalsContact C-N 3.26Å; I1117-N1119 PolarHBondContact O-N 3.18Å; I1117-L1120 WeakPolarHBondContact O-CB 3.45Å; I1117-L1120 PolarHBondContact O-N 3.08Å; I1117-E1121 WeakPolarHBondContact O-CG 3.5Å; I1117-E1121 PolarHBondContact O-N 2.98Å
1118	A	60.9	Low	54.1	Low	53 Å²	53	91.9 Å²	91.9	44%	0.438	49%	0.491	S	S	.	.	H	α-helix	trans	-60.3	-35.3	179.9	0	0	0	0	0	112.9	L1114 R1115 E1121 D1122	L1114-A1118 WeakPolarHBondContact O-CB 3.33Å; L1114-A1118 PolarHBondContact O-N 3.24Å; L1114-A1118 VanDerWaalsContact O-N 3.16Å; R1115-A1118 PolarHBondContact O-N 2.91Å; A1118-E1121 PolarHBondContact O-N 3.35Å; A1118-D1122 WeakPolarHBondContact O-CB 3.38Å; A1118-D1122 PolarHBondContact O-N 3.3Å
1119	N	55.5	Low	53.7	Low	89 Å²	89	95 Å²	95	48%	0.476	52%	0.517	S	S	.	.	H	α-helix	trans	-68.5	-36.9	174.5	178.5	68.5	0	0	0	112.4	R1115 D1116 I1117 E1121 D1122 I1123	R1115-N1119 WeakPolarHBondContact O-CB 3.45Å; R1115-N1119 PolarHBondContact O-N 3.48Å; D1116-N1119 PolarHBondContact O-N 3.44Å; I1117-N1119 VanDerWaalsContact C-N 3.26Å; I1117-N1119 PolarHBondContact O-N 3.18Å; N1119-E1121 VanDerWaalsContact C-N 3.35Å; N1119-D1122 PolarHBondContact O-N 2.95Å; N1119-I1123 WeakPolarHBondContact O-CB 3.36Å; N1119-I1123 WeakPolarHBondContact O-CD1 3.44Å; N1119-I1123 WeakPolarHBondContact O-CG1 3.47Å; N1119-I1123 PolarHBondContact O-N 3.44Å
1120	L	51.6	Low	53.6	Low	115 Å²	115	94 Å²	94	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-67.5	-35	172.5	-70.9	168	0	0	0	112.2	D1116 I1117 R1124	D1116-L1120 WeakPolarHBondContact O-CG 3.48Å; D1116-L1120 PolarHBondContact O-N 3Å; I1117-L1120 WeakPolarHBondContact O-CB 3.45Å; I1117-L1120 PolarHBondContact O-N 3.08Å; L1120-R1124 WeakPolarHBondContact O-CB 3.49Å; L1120-R1124 PolarHBondContact O-N 2.93Å
1121	E	53.3	Low	52.9	Low	87 Å²	87	93.5 Å²	93.5	41%	0.407	53%	0.533	S	S	.	.	H	α-helix	trans	-69	-42.3	172.8	-63.1	-155.3	97	0	0	112.3	I1117 A1118 N1119 I1123 R1124 D1125	I1117-E1121 WeakPolarHBondContact O-CG 3.5Å; I1117-E1121 PolarHBondContact O-N 2.98Å; A1118-E1121 PolarHBondContact O-N 3.35Å; N1119-E1121 VanDerWaalsContact C-N 3.35Å; E1121-I1123 VanDerWaalsContact C-N 3.35Å; E1121-I1123 PolarHBondContact O-N 3.24Å; E1121-R1124 WeakPolarHBondContact O-CB 3.46Å; E1121-R1124 PolarHBondContact O-N 3.16Å; E1121-R1124 IonicContact OE1-CZ 3.7Å; E1121-R1124 IonicContact OE1-NH1 3.85Å; E1121-R1124 PolarHBondContact OE1-NH1 3.44Å; E1121-R1124 IonicContact OE1-NH2 2.68Å; E1121-R1124 PolarHBondContact OE1-NH2 2.98Å; E1121-R1124 VanDerWaalsContact OE1-NH2 3.16Å; E1121-D1125 WeakPolarHBondContact O-CB 3.19Å; E1121-D1125 VanDerWaalsContact O-CG 3.28Å; E1121-D1125 PolarHBondContact O-N 2.84Å
1122	D	60.3	Low	52.1	Low	105 Å²	105	100 Å²	100	56%	0.561	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-35.5	176.3	-161.8	48.2	0	0	0	111.9	A1118 N1119 S1126	A1118-D1122 WeakPolarHBondContact O-CB 3.38Å; A1118-D1122 PolarHBondContact O-N 3.3Å; N1119-D1122 PolarHBondContact O-N 2.95Å; D1122-S1126 WeakPolarHBondContact O-CB 3.41Å; D1122-S1126 PolarHBondContact O-N 2.77Å; D1122-S1126 PolarHBondContact O-OG 2.73Å
1123	I	53	Low	51.2	Low	88 Å²	88	105.4 Å²	105.4	45%	0.451	58%	0.579	S	S	.	*	H	α-helix	trans	-64.9	-46	171	-72.1	164.5	0	0	0	111.1	N1119 E1121 D1125 S1126 I1127	N1119-I1123 WeakPolarHBondContact O-CB 3.36Å; N1119-I1123 WeakPolarHBondContact O-CD1 3.44Å; N1119-I1123 WeakPolarHBondContact O-CG1 3.47Å; N1119-I1123 PolarHBondContact O-N 3.44Å; E1121-I1123 VanDerWaalsContact C-N 3.35Å; E1121-I1123 PolarHBondContact O-N 3.24Å; I1123-D1125 VanDerWaalsContact C-N 3.34Å; I1123-D1125 PolarHBondContact O-N 3.25Å; I1123-S1126 PolarHBondContact O-N 2.93Å; I1123-I1127 HydrophobicContact CG2-CD1 4.46Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.45Å
1124	R	56.4	Low	50.5	Low	129 Å²	129	106.7 Å²	106.7	49%	0.487	59%	0.591	S	S	.	*	H	α-helix	trans	-57	-48	175.8	175.9	-163.5	70	-145.9	-7.1	110.9	L1120 E1121 S1126 I1127	L1120-R1124 WeakPolarHBondContact O-CB 3.49Å; L1120-R1124 PolarHBondContact O-N 2.93Å; E1121-R1124 WeakPolarHBondContact O-CB 3.46Å; E1121-R1124 PolarHBondContact O-N 3.16Å; E1121-R1124 IonicContact OE1-CZ 3.7Å; E1121-R1124 IonicContact OE1-NH1 3.85Å; E1121-R1124 PolarHBondContact OE1-NH1 3.44Å; E1121-R1124 IonicContact OE1-NH2 2.68Å; E1121-R1124 PolarHBondContact OE1-NH2 2.98Å; E1121-R1124 VanDerWaalsContact OE1-NH2 3.16Å; R1124-S1126 VanDerWaalsContact C-N 3.32Å; R1124-S1126 PolarHBondContact O-N 2.85Å; R1124-I1127 PolarHBondContact O-N 3.25Å
1125	D	53.6	Low	50.8	Low	113 Å²	113	107.6 Å²	107.6	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-80.7	-14	-173.8	-62.5	-16.3	0	0	0	112.8	E1121 I1123	E1121-D1125 WeakPolarHBondContact O-CB 3.19Å; E1121-D1125 VanDerWaalsContact O-CG 3.28Å; E1121-D1125 PolarHBondContact O-N 2.84Å; I1123-D1125 VanDerWaalsContact C-N 3.34Å; I1123-D1125 PolarHBondContact O-N 3.25Å
1126	S	51.7	Low	50.5	Low	82 Å²	82	106.1 Å²	106.1	57%	0.573	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-12.5	171.4	-69.2	0	0	0	0	114.7	D1122 I1123 R1124 P1128	D1122-S1126 WeakPolarHBondContact O-CB 3.41Å; D1122-S1126 PolarHBondContact O-N 2.77Å; D1122-S1126 PolarHBondContact O-OG 2.73Å; I1123-S1126 PolarHBondContact O-N 2.93Å; R1124-S1126 VanDerWaalsContact C-N 3.32Å; R1124-S1126 PolarHBondContact O-N 2.85Å; S1126-P1128 WeakPolarHBondContact O-CD 3.26Å
1127	I	45.4	Very low	49.6	Very low	101 Å²	101	109.4 Å²	109.4	52%	0.518	63%	0.628	S	S	.	*	S	Bend	trans	-85.5	117.6	-178.7	-68.3	162.4	0	0	0	109.9	I1123 R1124 A1129	I1123-I1127 HydrophobicContact CG2-CD1 4.46Å; I1123-I1127 WeakPolarHBondContact O-CG1 3.45Å; R1124-I1127 PolarHBondContact O-N 3.25Å; I1127-A1129 PolarHBondContact O-N 3.08Å
1128	P	48.3	Very low	48.5	Very low	94 Å²	94	114.5 Å²	114.5	61%	0.61	65%	0.649	S	S	*	*			trans	-67.4	132.9	-179.6	-20.2	33.6	0	0	0	112.2	S1126 G1130 C1131	S1126-P1128 WeakPolarHBondContact O-CD 3.26Å; P1128-G1130 PolarHBondContact O-N 2.74Å; P1128-G1130 VanDerWaalsContact O-N 3.09Å; P1128-C1131 WeakPolarHBondContact O-CB 3.46Å; P1128-C1131 PolarHBondContact O-N 2.89Å; P1128-C1131 VanDerWaalsContact O-N 3.13Å
1129	A	48.4	Very low	47.2	Very low	114 Å²	114	120.9 Å²	120.9	94%	0.942	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	115.4	175.1	0	0	0	0	0	111.1	I1127	I1127-A1129 PolarHBondContact O-N 3.08Å
1130	G	49.3	Very low	46.7	Very low	77 Å²	77	126 Å²	126	79%	0.794	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.2	1.8	-177.5	0	0	0	0	0	115.9	P1128	P1128-G1130 PolarHBondContact O-N 2.74Å; P1128-G1130 VanDerWaalsContact O-N 3.09Å
1131	C	37.8	Very low	46.5	Very low	73 Å²	73	126.5 Å²	126.5	49%	0.493	71%	0.713	S	S	.	*			trans	-97.3	89.2	-178.6	-151.8	0	0	0	0	113.5	P1128	P1128-C1131 WeakPolarHBondContact O-CB 3.46Å; P1128-C1131 PolarHBondContact O-N 2.89Å; P1128-C1131 VanDerWaalsContact O-N 3.13Å
1132	Y	40.6	Very low	46.1	Very low	224 Å²	224	128.6 Å²	128.6	88%	0.878	73%	0.73	S	S	*	*			trans	-124.1	126.1	165.2	-67.1	-68.1	0	0	0	109.8
1133	N	35.7	Very low	45.4	Very low	156 Å²	156	129.9 Å²	129.9	83%	0.834	74%	0.739	S	S	*	*			trans	-85.5	133.8	-162.2	-95.3	-29	0	0	0	115.7
1134	T	34.9	Very low	44.9	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	76%	0.756	S	S	*	*			trans	-158.3	162	151.3	49.9	0	0	0	0	109.1
1135	P	62.5	Low	44.2	Very low	120 Å²	120	132.6 Å²	132.6	78%	0.779	77%	0.773	S	S	*	*			cis	-108.7	-136.1	-38.9	38.4	-20.7	0	0	0	107.8
1136	P	56.9	Low	43.6	Very low	108 Å²	108	133.9 Å²	133.9	70%	0.701	78%	0.784	S	S	*	*			cis	-127	-133.9	-26	39.4	-18.7	0	0	0	111.4
1137	I	32.9	Very low	43	Very low	155 Å²	155	137.6 Å²	137.6	80%	0.795	80%	0.799	S	S	*	*			trans	79.1	124.1	177.1	-53.6	173	0	0	0	112.9
1138	E	30.6	Very low	42.8	Very low	190 Å²	190	140.4 Å²	140.4	89%	0.888	82%	0.82	S	S	*	*			cis	-111.6	155.4	14.3	-63.1	-177.2	144.5	0	0	115.1
1139	E	33.7	Very low	42.3	Very low	187 Å²	187	144.3 Å²	144.3	87%	0.874	84%	0.838	S	S	*	*			trans	-107.1	152.2	157.5	-111.3	179.7	-169.2	0	0	106.9
1140	P	44.8	Very low	41.8	Very low	196 Å²	196	147 Å²	147	100%	1.273	83%	0.828	S	S	*	*				-139.1	0	52.6	41.6	-25.3	0	0	0	117.5

Retrieved 1,140 of 1,140 residues in 257.7 ms (Link to these results)

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