A0A077Z361_TRITR Loading...

Protein argonaute-1

AlphaFold DB , UniProt , Accession A0A077Z361, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 916 aa.

						>A0A077Z361_TRITR|A0A077Z361
MSSFPHATYVQFGGLFGQPQFAAPLGLPPIGQPPMGSTPAGVVPLADAGVVQRPSSMSLSVSHSSSQVSGGEAPSAVFLAPRRPNQGIEGRPIVLRANHFQVRIPGGFIHHYDVSISPEKCPRRVNREIVTTMVRAYARVFNQLRPVYDGKKNMYTREPLPIGKEKVELEVTLPGDSAVERQFRVTIKWISQVSLSLLEEAMEGRIRSVPYESVQAIDVILRHLPSLRYTPVGRSFFSPPGNYGDSKLGGGREVWFGFHQSVRPSQWKMMLNIDVSATAFYRSMPVIEFLAEVLDMPVQALSERRSLSDAQRVKFTKEIKGLKCEITHCGTMRRKYRVCNVTRRPAQTQTFPLQLDNGQTIECTVAKYFFDKYHIQLKYPHLPCLQVGQEQKHTYLPPEVCNIVPGQRCIKKLTDTQTSTMIRATARSAPEREREISNLVRKADFSADPFAHEFGIAINPTMTEVKGRVLSAPKLLYGGRTKATAVPNQGVWDMRGKQFHTGVEIKVWAIACFAQQQHVKENDLRNFTQQLLRISNDAGMPVVGQPCFCKYASGVDQVEPMFRYLKQTFQGIQLIVIVLPGKTPVYAEVKRVGDTILGIATQCVQAKNVNKTTPQTLSNLCLKINVKLGGVNSILLPSIRPRIFNEPIIFMGADITHPPAGDSKKPSISAVVGSMDAHPSRYAATVRIQQHRQEIITDLATMVKELLIQFYRSTRFKPTRILLYRDGVSEGQFFNVLQHELRAMREACMMLERGYQPGITFVAVQKRHHTRLFAVDKKDQVGKAFNIPPGTTVDVGITHPTEFDFFLCSHAGIQGTSRPSHYHVLWDDNNLSADELQQLTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVDRDHDSGEGSQPSGTSEETTMSSMARAVQVHPDANSVMYFA
					

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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	26.9	Very low	25.1	Very low	239 Å²	239	154.6 Å²	154.6	100%	1.177	83%	0.833	S	S	*	*				0	117.3	0	-77.6	172.6	172	0	0	108.1
2	S	29	Very low	24.8	Very low	113 Å²	113	158.3 Å²	158.3	79%	0.79	84%	0.837	S	S	*	*			trans	36.4	116.6	160.1	52.9	0	0	0	0	118.6
3	S	29.6	Very low	24.7	Very low	120 Å²	120	151.5 Å²	151.5	84%	0.839	83%	0.828	S	S	*	*				-178.8	145.3	56.8	37.6	0	0	0	0	111.7
4	F	23.3	Very low	24.4	Very low	204 Å²	204	145.1 Å²	145.1	90%	0.895	81%	0.814	S	S	*	*			trans	-90.2	162.2	168.8	-103	-79.7	0	0	0	109
5	P	30.4	Very low	24.3	Very low	111 Å²	111	147.5 Å²	147.5	72%	0.721	82%	0.823	S	S	*	*				-158.2	165.8	72.7	39.7	-16.7	0	0	0	120.6
6	H	26.5	Very low	24.5	Very low	179 Å²	179	148.8 Å²	148.8	83%	0.829	82%	0.818	S	S	*	*			trans	99.5	104.1	145.7	-80	16.7	0	0	0	121
7	A	21.2	Very low	24.4	Very low	87 Å²	87	143.2 Å²	143.2	72%	0.719	80%	0.802	S	S	*	*			trans	-70.1	141.8	169.7	0	0	0	0	0	112.6
8	T	25	Very low	24.5	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	79%	0.794	S	S	*	*			trans	-131.4	101.1	157.1	-17.2	0	0	0	0	108.2	V10	T8-V10 PolarHBondContact O-N 3.27Å; T8-V10 VanDerWaalsContact O-N 3.12Å
9	Y	20.8	Very low	24.4	Very low	226 Å²	226	139.8 Å²	139.8	89%	0.886	78%	0.78	S	S	*	*			trans	-67.8	100.6	169.9	-99.9	-96.1	0	0	0	109.1	Q11	Y9-Q11 PolarHBondContact O-N 3.36Å
10	V	22.8	Very low	24.4	Very low	107 Å²	107	140.6 Å²	140.6	65%	0.648	78%	0.777	S	S	*	*			trans	-88.5	96.4	168.2	-179.2	0	0	0	0	108.2	T8 F12	T8-V10 PolarHBondContact O-N 3.27Å; T8-V10 VanDerWaalsContact O-N 3.12Å; V10-F12 PolarHBondContact O-N 3.13Å
11	Q	20.8	Very low	24.5	Very low	185 Å²	185	139.2 Å²	139.2	86%	0.864	76%	0.764	S	S	*	*			trans	-59.4	104.4	164	-93.4	-178.8	-21	0	0	109.4	Y9 G13	Y9-Q11 PolarHBondContact O-N 3.36Å; Q11-G13 VanDerWaalsContact C-N 3.27Å; Q11-G13 PolarHBondContact O-N 3.37Å
12	F	21.5	Very low	24.3	Very low	199 Å²	199	131.3 Å²	131.3	87%	0.873	74%	0.736	S	S	*	*			trans	-66	89	163.5	-86.4	-88.7	0	0	0	109.2	V10 G14	V10-F12 PolarHBondContact O-N 3.13Å; F12-G14 PolarHBondContact O-N 3.49Å
13	G	22.9	Very low	24	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	72%	0.72	S	S	*	*			trans	-59.4	117.7	171.6	0	0	0	0	0	110.6	Q11 L15	Q11-G13 VanDerWaalsContact C-N 3.27Å; Q11-G13 PolarHBondContact O-N 3.37Å; G13-L15 PolarHBondContact O-N 3.11Å
14	G	20.9	Very low	23.8	Very low	62 Å²	62	126.2 Å²	126.2	64%	0.639	70%	0.702	S	S	*	*			trans	-51.3	124.5	179.3	0	0	0	0	0	112.4	F12 F16	F12-G14 PolarHBondContact O-N 3.49Å; G14-F16 WeakPolarHBondContact O-CD2 3.23Å; G14-F16 PolarHBondContact O-N 2.83Å
15	L	23.7	Very low	23.9	Very low	180 Å²	180	119 Å²	119	94%	0.942	67%	0.673	S	S	*	*			trans	-58.7	100.4	168.1	-87.2	149.9	0	0	0	109.1	G13 G17	G13-L15 PolarHBondContact O-N 3.11Å; L15-G17 PolarHBondContact O-N 2.96Å; L15-G17 VanDerWaalsContact O-N 3.07Å
16	F	27.5	Very low	23.6	Very low	169 Å²	169	116.7 Å²	116.7	74%	0.741	67%	0.669	S	S	*	*			trans	-53.7	111.7	166.2	-75.6	-88.7	0	0	0	109.1	G14 Q18 Q615	G14-F16 WeakPolarHBondContact O-CD2 3.23Å; G14-F16 PolarHBondContact O-N 2.83Å; F16-Q18 VanDerWaalsContact C-N 3.33Å; F16-Q18 PolarHBondContact O-N 2.7Å; F16-Q615 HydrophobicContact CD1-CG 4.35Å; F16-Q615 HydrophobicContact CE1-CG 4.16Å
17	G	22.9	Very low	23.4	Very low	54 Å²	54	111.6 Å²	111.6	56%	0.557	65%	0.647	S	S	*	*			trans	-64.3	93.2	167.7	0	0	0	0	0	109.6	L15	L15-G17 PolarHBondContact O-N 2.96Å; L15-G17 VanDerWaalsContact O-N 3.07Å
18	Q	25.4	Very low	23.7	Very low	141 Å²	141	109.7 Å²	109.7	66%	0.659	63%	0.628	S	S	*	*			trans	-59.2	146.3	156.1	-76.5	-162.7	-13.3	0	0	108.6	F16 Q20	F16-Q18 VanDerWaalsContact C-N 3.33Å; F16-Q18 PolarHBondContact O-N 2.7Å; Q18-Q20 PolarHBondContact O-N 2.93Å
19	P	23.6	Very low	23.6	Very low	80 Å²	80	108 Å²	108	52%	0.519	62%	0.619	S	S	.	*			trans	-56.7	116.7	152.8	26	-27.3	0	0	0	105.5	F21	P19-F21 HydrophobicContact CB-CD2 3.88Å; P19-F21 HydrophobicContact CB-CE2 3.7Å; P19-F21 HydrophobicContact CG-CD2 3.81Å; P19-F21 HydrophobicContact CG-CE2 3.69Å; P19-F21 PolarHBondContact O-N 3.37Å
20	Q	23	Very low	23.8	Very low	155 Å²	155	103 Å²	103	72%	0.724	61%	0.606	S	S	*	*			trans	-60.1	77.3	172.6	-74.4	174.1	-31.1	0	0	108.3	Q18 A22	Q18-Q20 PolarHBondContact O-N 2.93Å; Q20-A22 PolarHBondContact O-N 3.05Å
21	F	27.8	Very low	23.8	Very low	113 Å²	113	100.9 Å²	100.9	50%	0.496	61%	0.606	S	S	.	*			trans	-75.9	111.1	157.3	-77.1	-76	0	0	0	104.5	P19 A23 R849	P19-F21 HydrophobicContact CB-CD2 3.88Å; P19-F21 HydrophobicContact CB-CE2 3.7Å; P19-F21 HydrophobicContact CG-CD2 3.81Å; P19-F21 HydrophobicContact CG-CE2 3.69Å; P19-F21 PolarHBondContact O-N 3.37Å; F21-A23 PolarHBondContact O-N 3.16Å; F21-R849 VanDerWaalsContact CE2-NH2 3.33Å
22	A	22.5	Very low	23.9	Very low	72 Å²	72	99.1 Å²	99.1	60%	0.595	60%	0.598	S	S	*	*			trans	-42.5	117.6	159.7	0	0	0	0	0	107	Q20	Q20-A22 PolarHBondContact O-N 3.05Å
23	A	22.2	Very low	23.9	Very low	54 Å²	54	95 Å²	95	45%	0.446	59%	0.591	S	S	.	*			trans	-46.1	128.9	156.5	0	0	0	0	0	105.7	F21 L25	F21-A23 PolarHBondContact O-N 3.16Å; A23-L25 PolarHBondContact O-N 2.9Å
24	P	24.6	Very low	24	Very low	72 Å²	72	97.6 Å²	97.6	47%	0.468	60%	0.596	S	S	.	*			trans	-64.2	92.7	169.5	25.1	-27.7	0	0	0	105.5	G26	P24-G26 PolarHBondContact O-N 3.27Å
25	L	25	Very low	24.1	Very low	53 Å²	53	103.5 Å²	103.5	28%	0.277	61%	0.609	S	S	.	*			trans	-47.3	129.8	168	-79.6	162.5	0	0	0	106.9	A23 L27 L413 T418 M421	A23-L25 PolarHBondContact O-N 2.9Å; L25-L27 PolarHBondContact O-N 3.36Å; L25-L413 HydrophobicContact CD1-CB 4Å; L25-L413 HydrophobicContact CD2-CD1 4.19Å; L25-T418 HydrophobicContact CD1-CG2 4.08Å; L25-T418 WeakPolarHBondContact CD1-OG1 3.34Å; L25-T418 HydrophobicContact CD2-CG2 4.14Å; L25-T418 HydrophobicContact CG-CG2 4.22Å; L25-M421 HydrophobicContact CD2-SD 4.24Å
26	G	24.2	Very low	24.2	Very low	62 Å²	62	98.4 Å²	98.4	64%	0.639	60%	0.6	S	S	*	*			trans	-40.8	105.2	-164.8	0	0	0	0	0	113.5	P24	P24-G26 PolarHBondContact O-N 3.27Å
27	L	24.2	Very low	24	Very low	72 Å²	72	96 Å²	96	38%	0.377	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-62.3	125.8	154.3	-76.6	166.8	0	0	0	106.2	L25 A660	L25-L27 PolarHBondContact O-N 3.36Å; L27-A660 HydrophobicContact CD2-CB 4.47Å
28	P	26.1	Very low	24.2	Very low	48 Å²	48	99.7 Å²	99.7	31%	0.312	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-65.1	152.8	178.5	28.8	-32.7	0	0	0	109.8	I30 A660	P28-I30 PolarHBondContact O-N 3.03Å; P28-A660 HydrophobicContact CG-CB 4.47Å
29	P	23.4	Very low	24.3	Very low	94 Å²	94	99 Å²	99	61%	0.61	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-56.6	135	165.3	24.7	-30.6	0	0	0	108.6	G31	P29-G31 PolarHBondContact O-N 3.09Å
30	I	24.6	Very low	24.4	Very low	120 Å²	120	99.9 Å²	99.9	62%	0.615	64%	0.638	S	S	*	*			trans	-47.2	110.7	-177.1	-62.8	172.3	0	0	0	109.3	P28	P28-I30 PolarHBondContact O-N 3.03Å
31	G	23.6	Very low	24.6	Very low	64 Å²	64	96.2 Å²	96.2	66%	0.66	64%	0.641	S	S	*	*			trans	-79.2	136.7	162.4	0	0	0	0	0	108.4	P29	P29-G31 PolarHBondContact O-N 3.09Å
32	Q	21.8	Very low	24.6	Very low	148 Å²	148	97.4 Å²	97.4	69%	0.692	66%	0.657	S	S	*	*			trans	-44.9	144.9	172.1	-75.7	172.8	-39.2	0	0	111.6
33	P	23.1	Very low	24.9	Very low	112 Å²	112	100.2 Å²	100.2	73%	0.727	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-62.3	144.9	-176.8	27.4	-33.6	0	0	0	110.6	M35	P33-M35 PolarHBondContact O-N 2.99Å
34	P	24.1	Very low	25.4	Very low	125 Å²	125	103.1 Å²	103.1	81%	0.812	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.9	166.9	28.8	-28.3	0	0	0	108.4	G36	P34-G36 PolarHBondContact O-N 3.48Å
35	M	23.5	Very low	25.4	Very low	186 Å²	186	108 Å²	108	92%	0.916	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-52	125.7	170.7	-71.9	-103.2	-77.4	0	0	109.7	P33	P33-M35 PolarHBondContact O-N 2.99Å
36	G	24.6	Very low	25.8	Very low	73 Å²	73	110.4 Å²	110.4	75%	0.753	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-57.1	134.4	179.1	0	0	0	0	0	111.9	P34	P34-G36 PolarHBondContact O-N 3.48Å
37	S	24.6	Very low	25.9	Very low	119 Å²	119	115.1 Å²	115.1	83%	0.832	74%	0.74	S	S	*	*			trans	-83.1	108.1	165.8	50.2	0	0	0	0	108.7
38	T	26.5	Very low	26.2	Very low	131 Å²	131	116.5 Å²	116.5	80%	0.804	76%	0.763	S	S	*	*			trans	-69.3	136.2	161.4	44.3	0	0	0	0	109.5	A40	T38-A40 PolarHBondContact O-N 2.93Å
39	P	27	Very low	26.3	Very low	127 Å²	127	117.8 Å²	117.8	83%	0.825	78%	0.784	S	S	*	*			trans	-78	117.7	174.2	29.9	-28.2	0	0	0	109.3	G41	P39-G41 PolarHBondContact O-N 2.84Å
40	A	26.3	Very low	26.4	Very low	98 Å²	98	119.9 Å²	119.9	81%	0.81	80%	0.795	S	S	*	*			trans	-78.3	102.7	166.2	0	0	0	0	0	108.4	T38	T38-A40 PolarHBondContact O-N 2.93Å
41	G	27.7	Very low	26.7	Very low	78 Å²	78	121 Å²	121	80%	0.804	81%	0.807	S	S	*	*			trans	-79.3	125.7	161.8	0	0	0	0	0	109.2	P39	P39-G41 PolarHBondContact O-N 2.84Å
42	V	27.1	Very low	26.8	Very low	137 Å²	137	126.5 Å²	126.5	83%	0.83	82%	0.816	S	S	*	*			trans	-98.5	119.5	170.1	177.3	0	0	0	0	106.8
43	V	29.4	Very low	26.8	Very low	132 Å²	132	131.1 Å²	131.1	80%	0.8	83%	0.827	S	S	*	*			trans	-132	130.9	161.4	-175.9	0	0	0	0	106.3
44	P	31.1	Very low	27.1	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	83%	0.828	S	S	*	*			trans	-82.3	160.2	-176.4	33.2	-32.1	0	0	0	112.9
45	L	25.8	Very low	27.3	Very low	175 Å²	175	130.6 Å²	130.6	92%	0.916	83%	0.826	S	S	*	*			trans	-60.2	148.1	-167	-70.7	102.5	0	0	0	116.9
46	A	32.1	Very low	27.2	Very low	103 Å²	103	127.5 Å²	127.5	85%	0.851	82%	0.822	S	S	*	*			trans	-152.5	153	135.2	0	0	0	0	0	110.2
47	D	27.8	Very low	27.3	Very low	161 Å²	161	132 Å²	132	86%	0.861	83%	0.826	S	S	*	*			trans	-67.4	163.8	-152.6	-92.1	-49.6	0	0	0	121.6
48	A	30.1	Very low	27.2	Very low	102 Å²	102	131.2 Å²	131.2	84%	0.843	82%	0.82	S	S	*	*			trans	102.5	118.3	142.7	0	0	0	0	0	119.5
49	G	28.8	Very low	27.2	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	83%	0.826	S	S	*	*			trans	133.9	68.1	150.7	0	0	0	0	0	118.3
50	V	25.6	Very low	27	Very low	139 Å²	139	132.1 Å²	132.1	84%	0.842	82%	0.82	S	S	*	*			trans	9.8	109.6	147.2	-173.4	0	0	0	0	118.3
51	V	29.4	Very low	26.9	Very low	142 Å²	142	133.9 Å²	133.9	86%	0.861	82%	0.82	S	S	*	*			trans	-150.6	130	135.4	179.7	0	0	0	0	109.4
52	Q	26	Very low	26.7	Very low	181 Å²	181	135 Å²	135	85%	0.846	82%	0.816	S	S	*	*			trans	-61.9	137.4	-178.1	-68.4	166.9	-21.5	0	0	114.2
53	R	22.8	Very low	26.7	Very low	245 Å²	245	137.4 Å²	137.4	93%	0.925	82%	0.818	S	S	*	*			trans	-144.5	129.5	152.4	-82.8	-170.9	179.5	-174.9	0.3	109.4
54	P	29.3	Very low	26.6	Very low	116 Å²	116	136.4 Å²	136.4	75%	0.753	82%	0.817	S	S	*	*			trans	-101.1	147.1	168.6	34.9	-26.4	0	0	0	113
55	S	26.9	Very low	26.3	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	82%	0.823	S	S	*	*			trans	73.8	109.7	143.5	42.6	0	0	0	0	121.4
56	S	22.1	Very low	26.4	Very low	121 Å²	121	134 Å²	134	85%	0.846	82%	0.817	S	S	*	*			trans	-92.7	113.6	146.2	47.5	0	0	0	0	109.1
57	M	26.2	Very low	26.2	Very low	169 Å²	169	138.4 Å²	138.4	83%	0.833	82%	0.82	S	S	*	*			trans	-136.8	124.4	165	-90	-162.6	167.9	0	0	111
58	S	23.5	Very low	26.3	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	82%	0.818	S	S	*	*			trans	13.1	110.7	145.4	51.2	0	0	0	0	118.1	S60	S58-S60 PolarHBondContact O-N 2.94Å; S58-S60 VanDerWaalsContact O-N 3.17Å
59	L	25.9	Very low	26.1	Very low	178 Å²	178	138.6 Å²	138.6	93%	0.932	82%	0.822	S	S	*	*			trans	-71.1	103.9	163.8	-84.5	154.4	0	0	0	110.2
60	S	23.2	Very low	26.1	Very low	98 Å²	98	137.8 Å²	137.8	69%	0.685	81%	0.813	S	S	*	*			trans	-102.9	126.3	153.7	53.3	0	0	0	0	107.4	S58 S62	S58-S60 PolarHBondContact O-N 2.94Å; S58-S60 VanDerWaalsContact O-N 3.17Å; S60-S62 PolarHBondContact O-N 3.2Å
61	V	23.5	Very low	26	Very low	135 Å²	135	135.2 Å²	135.2	82%	0.818	82%	0.815	S	S	*	*			trans	-80.6	111.3	178.5	178.2	0	0	0	0	107.5
62	S	24.5	Very low	26	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	82%	0.815	S	S	*	*			trans	-130.7	135.1	163	53.9	0	0	0	0	109	S60	S60-S62 PolarHBondContact O-N 3.2Å
63	H	26.3	Very low	26.5	Very low	189 Å²	189	132.6 Å²	132.6	88%	0.875	81%	0.807	S	S	*	*			trans	-68.2	128.9	179.9	-77	-1.1	0	0	0	111
64	S	27	Very low	27.5	Very low	111 Å²	111	127 Å²	127	78%	0.776	80%	0.802	S	S	*	*			trans	-145.5	125.1	155.1	61.7	0	0	0	0	110.6
65	S	24.5	Very low	28.9	Very low	124 Å²	124	124.9 Å²	124.9	87%	0.867	79%	0.79	S	S	*	*			trans	-57.8	126.2	173.8	46.5	0	0	0	0	113.6
66	S	29.8	Very low	31.1	Very low	113 Å²	113	123 Å²	123	79%	0.79	78%	0.781	S	S	*	*			trans	-152.5	129.1	155.7	48.6	0	0	0	0	110.4	V68	S66-V68 PolarHBondContact O-N 3.06Å
67	Q	26.4	Very low	34.3	Very low	197 Å²	197	121.3 Å²	121.3	92%	0.921	77%	0.766	S	S	*	*			trans	-57.6	120.2	-173.6	-67	163.2	-36.7	0	0	112.5
68	V	30	Very low	37.4	Very low	137 Å²	137	114.1 Å²	114.1	83%	0.83	73%	0.73	S	S	*	*			trans	-122.6	105.2	149.9	179.7	0	0	0	0	106.1	S66 G70	S66-V68 PolarHBondContact O-N 3.06Å; V68-G70 PolarHBondContact O-N 3.39Å
69	S	27	Very low	40.7	Very low	130 Å²	130	113.7 Å²	113.7	91%	0.909	72%	0.719	S	S	*	*			trans	-69	83.2	171.3	49.4	0	0	0	0	109.4
70	G	27.7	Very low	44	Very low	57 Å²	57	105.8 Å²	105.8	59%	0.588	68%	0.679	S	S	*	*			trans	-151	77.3	168.5	0	0	0	0	0	106.5	V68 E72	V68-G70 PolarHBondContact O-N 3.39Å; G70-E72 PolarHBondContact O-N 2.81Å
71	G	25	Very low	47.4	Very low	85 Å²	85	102.5 Å²	102.5	88%	0.876	66%	0.656	S	S	*	*			trans	-68.5	82	178.1	0	0	0	0	0	110.3	A73	G71-A73 PolarHBondContact O-N 3.12Å; G71-A73 VanDerWaalsContact O-N 3.13Å
72	E	29.5	Very low	50.8	Low	186 Å²	186	102.6 Å²	102.6	87%	0.869	64%	0.642	S	S	*	*			trans	-60.4	111.4	152.2	-79.8	-171	154.7	0	0	106.3	G70	G70-E72 PolarHBondContact O-N 2.81Å
73	A	34.5	Very low	54.1	Low	81 Å²	81	99.4 Å²	99.4	67%	0.669	61%	0.614	S	S	*	*			trans	-48.5	135.4	170.7	0	0	0	0	0	108.4	G71 S75	G71-A73 PolarHBondContact O-N 3.12Å; G71-A73 VanDerWaalsContact O-N 3.13Å; A73-S75 PolarHBondContact O-N 2.78Å
74	P	44.3	Very low	57.4	Low	128 Å²	128	93.8 Å²	93.8	83%	0.831	59%	0.594	S	S	*	*			trans	-54.9	112.2	-179.1	21.1	-30.6	0	0	0	107.8	A76	P74-A76 PolarHBondContact O-N 2.93Å; P74-A76 VanDerWaalsContact O-N 3.08Å
75	S	59.5	Low	60.7	Low	71 Å²	71	91.6 Å²	91.6	50%	0.497	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-53.8	123.9	-172.7	78.8	0	0	0	0	108.1	A73 V77 R742	A73-S75 PolarHBondContact O-N 2.78Å; S75-V77 PolarHBondContact O-N 3.12Å; S75-R742 PolarHBondContact OG-NH2 3.23Å
76	A	73	Confident	64.1	Low	69 Å²	69	91 Å²	91	57%	0.57	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-51.7	121.4	-176.1	0	0	0	0	0	109.7	P74 R742	P74-A76 PolarHBondContact O-N 2.93Å; P74-A76 VanDerWaalsContact O-N 3.08Å; A76-R742 PolarHBondContact O-NH2 2.92Å
77	V	88	Confident	67.3	Low	87 Å²	87	86 Å²	86	53%	0.527	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-86.5	119.4	179.2	178.7	0	0	0	0	107.9	S75 L79 F734	S75-V77 PolarHBondContact O-N 3.12Å; V77-L79 HydrophobicContact CG1-CD2 4.41Å; V77-F734 HydrophobicContact CG1-CE2 3.62Å; V77-F734 HydrophobicContact CG1-CZ 3.74Å
78	F	92.8	Very high	70.7	Confident	18 Å²	18	83.5 Å²	83.5	8%	0.079	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-81.9	132.3	177.2	-54.7	-65	0	0	0	110.6	L737 Q738 L741 R742 R745 W826	F78-L737 HydrophobicContact CB-CD2 3.93Å; F78-L737 HydrophobicContact CB-CG 4.1Å; F78-Q738 PolarHBondContact O-NE2 3.39Å; F78-L741 HydrophobicContact CB-CD2 4.22Å; F78-L741 HydrophobicContact CD1-CD2 3.84Å; F78-L741 HydrophobicContact CD2-CD2 3.97Å; F78-L741 HydrophobicContact CE1-CD2 4.22Å; F78-L741 HydrophobicContact CE2-CD2 4.33Å; F78-L741 HydrophobicContact CG-CD2 3.72Å; F78-L741 HydrophobicContact CZ-CD2 4.45Å; F78-R742 HydrophobicContact CE2-CG 3.62Å; F78-R742 HydrophobicContact CZ-CG 4.32Å; F78-R745 VanDerWaalsContact CE1-NH1 3.3Å; F78-W826 HydrophobicContact CB-CE3 4.01Å; F78-W826 HydrophobicContact CB-CZ3 3.92Å; F78-W826 HydrophobicContact CD1-CE3 4.33Å; F78-W826 AromaticContact CD1-CH2 3.83Å; F78-W826 HydrophobicContact CD1-CH2 3.83Å; F78-W826 HydrophobicContact CD1-CZ2 4.28Å; F78-W826 AromaticContact CD1-CZ3 3.86Å; F78-W826 HydrophobicContact CD1-CZ3 3.86Å; F78-W826 HydrophobicContact CG-CZ3 4.35Å
79	L	92.6	Very high	73.8	Confident	92 Å²	92	81.9 Å²	81.9	48%	0.482	50%	0.499	S	S	.	.			trans	-118.1	140.3	177.8	-64.2	174.2	0	0	0	109.6	V77	V77-L79 HydrophobicContact CG1-CD2 4.41Å
80	A	94.1	Very high	77.2	Confident	12 Å²	12	77.1 Å²	77.1	10%	0.099	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-57.7	134.4	176.2	0	0	0	0	0	110.9	R207 E802 L825	A80-R207 PolarHBondContact O-NH2 2.99Å; A80-E802 HydrophobicContact CB-CG 4.21Å; A80-L825 WeakPolarHBondContact CA-O 3.5Å
81	P	95.5	Very high	80.5	Confident	30 Å²	30	79.5 Å²	79.5	20%	0.195	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-62.8	150.8	-177	26.1	-35.2	0	0	0	111.6	F803 V824 D827	P81-F803 PolarHBondContact O-N 3.29Å; P81-V824 WeakPolarHBondContact CD-O 3.26Å; P81-V824 HydrophobicContact CG-CB 4.34Å; P81-V824 HydrophobicContact CG-CG1 3.83Å; P81-D827 HydrophobicContact CG-CB 4.31Å
82	R	94	Very high	84	Confident	137 Å²	137	80.8 Å²	80.8	52%	0.517	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	-66.7	150	167	-76.6	-173.2	166.7	-174.2	-5.5	109.2	P84 T801	R82-P84 WeakPolarHBondContact O-CD 3.33Å; R82-T801 WeakPolarHBondContact CA-O 3.22Å
83	R	95.2	Very high	87.2	Confident	34 Å²	34	72.1 Å²	72.1	13%	0.128	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-55.2	122.5	170.9	-172.9	-176	-51.1	-77.3	-6	109.8	N85 Q266 D794 H799 T801 E802 F803 D804	R83-N85 VanDerWaalsContact CG-O 3.26Å; R83-N85 WeakPolarHBondContact CG-O 3.48Å; R83-Q266 VanDerWaalsContact NE-NE2 3.13Å; R83-D794 PolarHBondContact NH1-O 2.9Å; R83-H799 PolarHBondContact NH2-O 2.83Å; R83-T801 PolarHBondContact N-O 2.8Å; R83-E802 PolarHBondContact NH2-O 2.81Å; R83-F803 HydrophobicContact CB-CB 4.47Å; R83-F803 HydrophobicContact CG-CD2 4.32Å; R83-D804 IonicContact CZ-OD1 3.91Å; R83-D804 PolarHBondContact NH1-O 2.91Å; R83-D804 IonicContact NH1-OD1 2.68Å; R83-D804 IonicContact NH2-OD1 3.12Å; R83-D804 PolarHBondContact NH2-OD1 2.88Å
84	P	95.9	Very high	90.2	Very high	71 Å²	71	71.2 Å²	71.2	46%	0.461	40%	0.399	S	S	.	.			trans	-72.4	-42.1	-175.7	25.4	-31.6	0	0	0	111.8	R82 F803 L831	R82-P84 WeakPolarHBondContact O-CD 3.33Å; P84-F803 VanDerWaalsContact CD-CD1 3.4Å; P84-F803 HydrophobicContact CG-CD1 3.95Å; P84-F803 HydrophobicContact CG-CE1 3.63Å; P84-F803 HydrophobicContact CG-CZ 3.95Å; P84-L831 WeakPolarHBondContact CG-O 3.09Å
85	N	95.9	Very high	92.8	Very high	65 Å²	65	65.1 Å²	65.1	35%	0.348	36%	0.36	S	S	.	.			trans	-162	177.9	178.9	60.6	-31.5	0	0	0	110.1	R83 A833	R83-N85 VanDerWaalsContact CG-O 3.26Å; R83-N85 WeakPolarHBondContact CG-O 3.48Å; N85-A833 WeakPolarHBondContact O-CB 3.48Å; N85-A833 WeakPolarHBondContact OD1-CB 3.34Å; N85-A833 PolarHBondContact OD1-N 3.25Å
86	Q	95.2	Very high	94.7	Very high	112 Å²	112	65.1 Å²	65.1	52%	0.523	35%	0.349	S	S	.	.			trans	-94.5	142.5	167.4	-64.3	178.5	3.7	0	0	108.9	V795	Q86-V795 HydrophobicContact CG-CG1 4Å
87	G	97.1	Very high	95.8	Very high	8 Å²	8	61.9 Å²	61.9	8%	0.082	32%	0.322	C	S	.	.			trans	-72.1	144	175.5	0	0	0	0	0	111.6	R468 D794 D834	G87-R468 WeakPolarHBondContact O-CD 3.13Å; G87-R468 PolarHBondContact O-NE 3.47Å; G87-R468 PolarHBondContact O-NH2 3.22Å; G87-D794 PolarHBondContact N-OD2 3.37Å; G87-D834 WeakPolarHBondContact CA-OD1 3.34Å; G87-D834 WeakPolarHBondContact CA-OD2 3.39Å
88	I	97.3	Very high	96.3	Very high	143 Å²	143	57.7 Å²	57.7	73%	0.733	30%	0.297	S	S	*	.			trans	-118.8	-15.3	-178.9	57.8	165.1	0	0	0	112.7	D834	I88-D834 WeakPolarHBondContact CG1-OD2 3.49Å; I88-D834 VanDerWaalsContact N-CG 3.28Å; I88-D834 PolarHBondContact N-OD1 2.95Å; I88-D834 PolarHBondContact N-OD2 3.22Å
89	E	96.1	Very high	96.5	Very high	104 Å²	104	56.9 Å²	56.9	49%	0.486	29%	0.293	S	S	.	.			trans	-75.2	149.8	-177.9	-69.8	-157.8	168.2	0	0	113.1	R468 L470 D834	E89-R468 WeakPolarHBondContact O-CD 3.47Å; E89-R468 PolarHBondContact O-NH1 3.37Å; E89-L470 HydrophobicContact CB-CD2 4.44Å; E89-L470 WeakPolarHBondContact O-CD2 3.16Å; E89-D834 HydrophobicContact CB-CB 4.48Å; E89-D834 HydrophobicContact CG-CB 4.1Å; E89-D834 PolarHBondContact N-OD1 3.47Å
90	G	97.1	Very high	96.6	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	27%	0.27	S	S	.	.	S	Bend	trans	94.4	157.5	178.8	0	0	0	0	0	113.7	V469	G90-V469 CarbonylContact C-O 3.58Å; G90-V469 VanDerWaalsContact CA-O 3.23Å; G90-V469 WeakPolarHBondContact CA-O 3.23Å
91	R	97.5	Very high	96.6	Very high	108 Å²	108	54.8 Å²	54.8	41%	0.408	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.4	-179.8	66.6	172.2	-174.2	92.6	-10.1	110.4	R468 V469 D779	R91-R468 CarbonylContact O-C 3.46Å; R91-R468 VanDerWaalsContact O-CA 3.28Å; R91-R468 WeakPolarHBondContact O-CA 3.31Å; R91-V469 HydrophobicContact CG-CB 3.78Å; R91-V469 HydrophobicContact CG-CG2 4.21Å; R91-V469 PolarHBondContact N-O 3.5Å; R91-V469 VanDerWaalsContact N-O 3.12Å; R91-V469 PolarHBondContact O-N 2.9Å; R91-D779 IonicContact CZ-OD1 3.12Å; R91-D779 IonicContact NH1-OD1 3.85Å; R91-D779 PolarHBondContact NH1-OD1 3.48Å; R91-D779 IonicContact NH1-OD2 3.42Å; R91-D779 IonicContact NH2-OD1 3.4Å; R91-D779 PolarHBondContact NH2-OD1 3.46Å
92	P	97.9	Very high	96.5	Very high	111 Å²	111	53.5 Å²	53.5	72%	0.721	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.5	175.6	26.8	-34	0	0	0	111.5
93	I	98.2	Very high	96.4	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.3	174	-179.6	171	0	0	0	109.2	L95 G467 V469 D779 P788 T791	I93-L95 HydrophobicContact CD1-CD2 3.67Å; I93-L95 HydrophobicContact CG1-CD2 3.75Å; I93-L95 HydrophobicContact CG1-CG 4.29Å; I93-L95 HydrophobicContact CG2-CD1 4.41Å; I93-L95 HydrophobicContact CG2-CD2 4.37Å; I93-L95 HydrophobicContact CG2-CG 4.29Å; I93-G467 VanDerWaalsContact CG2-C 3.43Å; I93-G467 WeakPolarHBondContact CG2-O 3.31Å; I93-G467 PolarHBondContact N-O 2.96Å; I93-G467 PolarHBondContact O-N 3.04Å; I93-V469 HydrophobicContact CB-CG2 4.02Å; I93-V469 HydrophobicContact CD1-CG2 4.15Å; I93-V469 HydrophobicContact CG2-CG2 3.7Å; I93-D779 HydrophobicContact CD1-CB 3.62Å; I93-D779 HydrophobicContact CG1-CB 4.23Å; I93-P788 HydrophobicContact CD1-CG 3.99Å; I93-T791 HydrophobicContact CG2-CG2 4.38Å
94	V	98	Very high	96.2	Very high	61 Å²	61	55.4 Å²	55.4	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128	174.6	-169.3	0	0	0	0	109.2	V775	V94-V775 HydrophobicContact CB-CB 4.25Å; V94-V775 HydrophobicContact CB-CG2 4.31Å; V94-V775 HydrophobicContact CG1-CB 4.22Å; V94-V775 HydrophobicContact CG1-CG2 3.84Å; V94-V775 PolarHBondContact O-N 3.47Å; V94-V775 VanDerWaalsContact O-N 3.12Å
95	L	98.4	Very high	95.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	151.9	-174.5	-57	172.7	0	0	0	110.8	I93 E464 V465 L772 F773 I787 T791 V793	I93-L95 HydrophobicContact CD1-CD2 3.67Å; I93-L95 HydrophobicContact CG1-CD2 3.75Å; I93-L95 HydrophobicContact CG1-CG 4.29Å; I93-L95 HydrophobicContact CG2-CD1 4.41Å; I93-L95 HydrophobicContact CG2-CD2 4.37Å; I93-L95 HydrophobicContact CG2-CG 4.29Å; L95-E464 CarbonylContact O-C 3.45Å; L95-E464 VanDerWaalsContact O-CA 3.25Å; L95-E464 WeakPolarHBondContact O-CA 3.44Å; L95-V465 HydrophobicContact CB-CG2 3.77Å; L95-V465 HydrophobicContact CD1-CG2 4.44Å; L95-V465 PolarHBondContact N-O 3.46Å; L95-V465 PolarHBondContact O-N 3.46Å; L95-L772 HydrophobicContact CD1-CD1 4.34Å; L95-L772 HydrophobicContact CD1-CD2 4.49Å; L95-F773 CarbonylContact C-O 3.57Å; L95-F773 WeakPolarHBondContact CA-O 3.33Å; L95-I787 HydrophobicContact CD2-CG2 3.66Å; L95-T791 HydrophobicContact CD1-CG2 3.52Å; L95-T791 HydrophobicContact CD2-CG2 4.26Å; L95-T791 HydrophobicContact CG-CG2 4.49Å; L95-V793 HydrophobicContact CD1-CG2 3.55Å
96	R	98.1	Very high	95.4	Very high	72 Å²	72	52.3 Å²	52.3	27%	0.272	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.3	162.4	-79.5	174	-67.2	155.6	8.3	109.2	E433 M462 E464 L772 F773 V775	R96-E433 IonicContact CZ-OE1 3.05Å; R96-E433 IonicContact CZ-OE2 3.7Å; R96-E433 IonicContact NE-OE1 3.88Å; R96-E433 PolarHBondContact NE-OE1 3.13Å; R96-E433 IonicContact NH1-OE1 3.72Å; R96-E433 PolarHBondContact NH1-OE1 3.36Å; R96-E433 IonicContact NH1-OE2 2.56Å; R96-E433 IonicContact NH2-OE1 3.04Å; R96-E433 PolarHBondContact NH2-OE1 2.91Å; R96-E433 IonicContact NH2-OE2 2.91Å; R96-E433 PolarHBondContact NH2-OE2 3.3Å; R96-M462 HydrophobicContact CB-CB 4.14Å; R96-M462 HydrophobicContact CB-SD 4.34Å; R96-M462 HydrophobicContact CG-CB 4.4Å; R96-E464 HydrophobicContact CG-CG 3.95Å; R96-L772 WeakPolarHBondContact O-CA 3.4Å; R96-F773 HydrophobicContact CB-CB 4.49Å; R96-F773 PolarHBondContact N-O 3.25Å; R96-F773 WeakPolarHBondContact O-CD2 3.16Å; R96-F773 PolarHBondContact O-N 3.33Å; R96-V775 HydrophobicContact CG-CG2 3.83Å
97	A	97.8	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	144.2	172.1	0	0	0	0	0	109.4	H99 M462 T463 V465 R771 L772 I797	A97-H99 HydrophobicContact CB-CB 4.24Å; A97-H99 PolarHBondContact O-N 3.28Å; A97-M462 VanDerWaalsContact O-CB 3.24Å; A97-M462 WeakPolarHBondContact O-CB 3.42Å; A97-M462 WeakPolarHBondContact O-CG 3.48Å; A97-T463 PolarHBondContact N-O 3.28Å; A97-T463 PolarHBondContact O-N 2.81Å; A97-V465 HydrophobicContact CB-CG1 4.39Å; A97-V465 HydrophobicContact CB-CG2 4.38Å; A97-R771 WeakPolarHBondContact CA-O 3.33Å; A97-L772 HydrophobicContact CB-CD2 3.94Å; A97-I797 HydrophobicContact CB-CD1 4Å; A97-I797 HydrophobicContact CB-CG2 4.1Å
98	N	97.3	Very high	95.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-73.4	42.2	171.3	70	-27.1	0	0	0	113.2	N272 I273 I436 M462 H769 T770 R771 F773	N98-N272 VanDerWaalsContact CG-ND2 3.34Å; N98-N272 PolarHBondContact ND2-ND2 2.8Å; N98-N272 WeakPolarHBondContact O-CA 3.34Å; N98-N272 PolarHBondContact O-ND2 3.33Å; N98-N272 PolarHBondContact OD1-ND2 3Å; N98-N272 VanDerWaalsContact OD1-ND2 3.11Å; N98-I273 VanDerWaalsContact CB-O 3.29Å; N98-I273 WeakPolarHBondContact CB-O 3.28Å; N98-I273 PolarHBondContact ND2-O 2.8Å; N98-I273 PolarHBondContact O-N 2.88Å; N98-I273 VanDerWaalsContact O-N 3.12Å; N98-I436 HydrophobicContact CB-CD1 4.01Å; N98-I436 HydrophobicContact CB-CG2 4.36Å; N98-M462 HydrophobicContact CB-CE 4.25Å; N98-H769 PolarHBondContact ND2-O 3.35Å; N98-H769 PolarHBondContact OD1-O 3.35Å; N98-T770 WeakPolarHBondContact OD1-CA 3.4Å; N98-R771 HydrophobicContact CB-CB 4.48Å; N98-R771 PolarHBondContact N-O 3.28Å; N98-R771 PolarHBondContact OD1-N 3.08Å; N98-R771 PolarHBondContact OD1-O 3.36Å; N98-F773 HydrophobicContact CB-CE2 4.3Å
99	H	96.5	Very high	95	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	176.8	-72.1	56.2	0	0	0	106.9	A97 M270 L271 N272 T463 T770 I797	A97-H99 HydrophobicContact CB-CB 4.24Å; A97-H99 PolarHBondContact O-N 3.28Å; H99-M270 HydrophobicContact CB-CB 4.18Å; H99-M270 HydrophobicContact CB-CE 4.16Å; H99-M270 HydrophobicContact CB-CG 4.35Å; H99-M270 HydrophobicContact CB-SD 4.33Å; H99-L271 WeakPolarHBondContact CA-O 3.26Å; H99-N272 PolarHBondContact CE1-ND2 2.97Å; H99-T463 WeakPolarHBondContact O-CB 3.49Å; H99-T463 PolarHBondContact O-N 2.91Å; H99-T463 PolarHBondContact O-OG1 2.78Å; H99-T770 PolarHBondContact CE1-OG1 3.29Å; H99-I797 HydrophobicContact CB-CG2 3.91Å
100	F	95.1	Very high	95	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.8	-176.9	-62.8	-89.5	0	0	0	107.5	V102 L271 I273 I436 V440 I458 N459 P460 T461 M462	F100-V102 PolarHBondContact O-N 3.39Å; F100-L271 HydrophobicContact CB-CB 4.27Å; F100-L271 WeakPolarHBondContact CD2-O 3.35Å; F100-L271 PolarHBondContact N-O 2.78Å; F100-L271 PolarHBondContact O-N 3.4Å; F100-I273 HydrophobicContact CD2-CB 4.07Å; F100-I273 HydrophobicContact CD2-CG1 3.92Å; F100-I273 HydrophobicContact CE2-CB 3.84Å; F100-I273 HydrophobicContact CE2-CG1 4.17Å; F100-I436 HydrophobicContact CE2-CG2 3.99Å; F100-I436 HydrophobicContact CZ-CG2 3.92Å; F100-V440 HydrophobicContact CD1-CG1 3.99Å; F100-V440 HydrophobicContact CD1-CG2 4.28Å; F100-V440 HydrophobicContact CD2-CG2 4.14Å; F100-V440 HydrophobicContact CE1-CB 4.1Å; F100-V440 HydrophobicContact CE1-CG1 3.92Å; F100-V440 HydrophobicContact CE1-CG2 3.79Å; F100-V440 HydrophobicContact CE2-CG2 3.67Å; F100-V440 HydrophobicContact CG-CG2 4.45Å; F100-V440 HydrophobicContact CZ-CB 4.21Å; F100-V440 HydrophobicContact CZ-CG1 4.47Å; F100-V440 HydrophobicContact CZ-CG2 3.47Å; F100-V440 VanDerWaalsContact CZ-CG2 3.47Å; F100-I458 HydrophobicContact CB-CG2 3.99Å; F100-N459 WeakPolarHBondContact CB-O 3.33Å; F100-N459 WeakPolarHBondContact CD1-O 3.2Å; F100-P460 VanDerWaalsContact CE1-O 3.31Å; F100-P460 WeakPolarHBondContact CE1-O 3.46Å; F100-T461 VanDerWaalsContact CD1-O 3.31Å; F100-T461 WeakPolarHBondContact CD1-O 3.16Å; F100-M462 HydrophobicContact CE1-CG 3.88Å; F100-M462 HydrophobicContact CE2-CG 4.41Å; F100-M462 HydrophobicContact CZ-CE 4.27Å; F100-M462 HydrophobicContact CZ-CG 3.6Å
101	Q	94.3	Very high	95.1	Very high	59 Å²	59	41.3 Å²	41.3	28%	0.276	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	128.7	-174.3	-172.1	-162.9	-55.6	0	0	110.5	K268 M270 N459	Q101-K268 HydrophobicContact CG-CB 3.94Å; Q101-K268 HydrophobicContact CG-CD 3.45Å; Q101-K268 VanDerWaalsContact CG-CD 3.45Å; Q101-K268 HydrophobicContact CG-CG 4.29Å; Q101-M270 HydrophobicContact CB-SD 4.38Å; Q101-N459 HydrophobicContact CB-CB 4.04Å; Q101-N459 PolarHBondContact O-N 3Å
102	V	93.5	Very high	95.1	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	175.8	-171.6	0	0	0	0	108.7	F100 I104 L221 M269 L271 I456 I458	F100-V102 PolarHBondContact O-N 3.39Å; V102-I104 HydrophobicContact CG1-CG1 3.98Å; V102-L221 HydrophobicContact CG1-CD1 4.43Å; V102-L221 HydrophobicContact CG2-CD1 4.41Å; V102-M269 HydrophobicContact CB-CB 4.01Å; V102-M269 WeakPolarHBondContact CB-O 3.42Å; V102-M269 PolarHBondContact N-O 3.06Å; V102-L271 HydrophobicContact CG2-CB 3.69Å; V102-I456 HydrophobicContact CG1-CG2 3.53Å; V102-I458 HydrophobicContact CG1-CG1 4.49Å; V102-I458 HydrophobicContact CG2-CG1 4.34Å
103	R	92	Very high	95	Very high	187 Å²	187	32.8 Å²	32.8	71%	0.706	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.7	168.5	-175.4	-179.3	179.8	-176.6	-1	108	I456 A457	R103-I456 WeakPolarHBondContact O-CA 3.34Å; R103-A457 HydrophobicContact CB-CB 4.36Å; R103-A457 PolarHBondContact N-O 3.11Å; R103-A457 PolarHBondContact O-N 3.25Å; R103-A457 VanDerWaalsContact O-N 3.16Å
104	I	90.2	Very high	95	Very high	24 Å²	24	32.6 Å²	32.6	12%	0.123	16%	0.164	C	C	.	.			trans	-113.4	133.4	178.9	-60.2	-178.8	0	0	0	107.4	V102 L195 L198 I217 M269	V102-I104 HydrophobicContact CG1-CG1 3.98Å; I104-L195 HydrophobicContact CG2-CB 4.07Å; I104-L195 HydrophobicContact CG2-CD1 3.86Å; I104-L195 HydrophobicContact CG2-CD2 4.35Å; I104-L195 HydrophobicContact CG2-CG 4.32Å; I104-L198 HydrophobicContact CD1-CD2 3.99Å; I104-I217 HydrophobicContact CD1-CD1 3.86Å; I104-I217 HydrophobicContact CD1-CG1 3.95Å; I104-I217 HydrophobicContact CD1-CG2 4.32Å; I104-I217 HydrophobicContact CG1-CD1 4.27Å; I104-I217 HydrophobicContact CG2-CD1 4.11Å; I104-M269 HydrophobicContact CD1-CB 3.71Å; I104-M269 HydrophobicContact CD1-CG 3.28Å; I104-M269 HydrophobicContact CG1-CB 4.5Å; I104-M269 HydrophobicContact CG1-CG 4.46Å
105	P	88.9	Confident	94.9	Very high	36 Å²	36	31.3 Å²	31.3	23%	0.234	16%	0.158	C	C	.	.			trans	-78.4	154.5	173.4	32.7	-32.3	0	0	0	110.8	L195 F454	P105-L195 WeakPolarHBondContact O-CB 3.45Å; P105-L195 WeakPolarHBondContact O-CD1 3.27Å; P105-F454 WeakPolarHBondContact CG-O 3.31Å
106	G	87.1	Confident	94.7	Very high	35 Å²	35	32.1 Å²	32.1	36%	0.361	16%	0.162	S	C	.	.	S	Bend	trans	-67.3	175.5	170.6	0	0	0	0	0	113.6	R157	G106-R157 PolarHBondContact O-NH2 3.24Å
107	G	91.5	Very high	94.5	Very high	22 Å²	22	31.2 Å²	31.2	23%	0.227	17%	0.167	C	C	.	.	S	Bend	trans	95.1	-153	176.9	0	0	0	0	0	113.5	L195 S196	G107-L195 PolarHBondContact O-N 3.44Å; G107-S196 PolarHBondContact N-OG 2.8Å
108	F	94	Very high	94.1	Very high	103 Å²	103	34.7 Å²	34.7	45%	0.452	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	154.4	-169.9	-59.4	-88.3	0	0	0	112.7	R157 Q192 V193	F108-R157 PolarHBondContact O-NH1 2.86Å; F108-Q192 HydrophobicContact CB-CB 4.41Å; F108-Q192 HydrophobicContact CD1-CB 4.14Å; F108-V193 WeakPolarHBondContact CA-O 3.32Å
109	I	95.8	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.6	166.2	62.2	179.3	0	0	0	108.8	Y155 Q192 V193 L195 A216 F454	I109-Y155 HydrophobicContact CD1-CD1 4.19Å; I109-Q192 CarbonylContact O-C 3.57Å; I109-Q192 WeakPolarHBondContact O-CA 3.32Å; I109-V193 HydrophobicContact CD1-CB 4.03Å; I109-V193 HydrophobicContact CD1-CG1 4.2Å; I109-V193 HydrophobicContact CG1-CB 3.61Å; I109-V193 HydrophobicContact CG1-CG1 4.23Å; I109-V193 HydrophobicContact CG1-CG2 4.42Å; I109-V193 PolarHBondContact N-O 2.73Å; I109-V193 PolarHBondContact O-N 3.2Å; I109-L195 HydrophobicContact CD1-CD2 4.24Å; I109-L195 HydrophobicContact CG2-CD1 3.83Å; I109-L195 HydrophobicContact CG2-CG 4.25Å; I109-A216 HydrophobicContact CD1-CB 3.26Å; I109-F454 HydrophobicContact CB-CE1 4.4Å; I109-F454 HydrophobicContact CG2-CD1 3.86Å; I109-F454 HydrophobicContact CG2-CE1 4.11Å
110	H	96.7	Very high	92.3	Very high	20 Å²	20	51.7 Å²	51.7	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128	-176	-66	-100	0	0	0	110.3	Y112 Y155 T156 R157 P159 W189 Q192	H110-Y112 HydrophobicContact CB-CE2 3.59Å; H110-Y155 VanDerWaalsContact O-CA 3.23Å; H110-Y155 WeakPolarHBondContact O-CA 3.49Å; H110-T156 PolarHBondContact N-O 2.81Å; H110-T156 PolarHBondContact O-N 2.87Å; H110-R157 PolarHBondContact CD2-O 3.42Å; H110-P159 WeakPolarHBondContact NE2-CD 3.23Å; H110-W189 AromaticContact ND1-NE1 3.74Å; H110-Q192 PolarHBondContact CE1-NE2 3.27Å; H110-Q192 VanDerWaalsContact CE1-NE2 3.31Å
111	H	97.6	Very high	91.9	Very high	19 Å²	19	53.1 Å²	53.1	9%	0.088	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.9	-179.9	177.5	-148.1	0	0	0	111	N153 Y155 I190 S191 V193	H111-N153 PolarHBondContact CE1-OD1 2.92Å; H111-N153 PolarHBondContact NE2-OD1 2.87Å; H111-Y155 HydrophobicContact CB-CD1 3.86Å; H111-Y155 HydrophobicContact CB-CE1 3.7Å; H111-Y155 AromaticContact CD2-CE1 3.46Å; H111-Y155 VanDerWaalsContact CD2-CE1 3.46Å; H111-Y155 WeakPolarHBondContact CD2-CE1 3.47Å; H111-Y155 AromaticContact CD2-CZ 3.74Å; H111-Y155 AromaticContact CG-CE1 3.6Å; H111-I190 PolarHBondContact O-N 2.87Å; H111-S191 PolarHBondContact N-O 3.26Å; H111-S191 PolarHBondContact O-N 3.22Å; H111-V193 HydrophobicContact CB-CG2 4.21Å
112	Y	97.8	Very high	91.6	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.4	178.4	-54.3	-97.6	0	0	0	111	H110 M154 T156 P159 L160 I162 I187 K188 W189	H110-Y112 HydrophobicContact CB-CE2 3.59Å; Y112-M154 HydrophobicContact CD2-CE 4.24Å; Y112-M154 HydrophobicContact CG-CE 4.15Å; Y112-M154 PolarHBondContact N-O 3.04Å; Y112-M154 PolarHBondContact O-N 2.88Å; Y112-T156 HydrophobicContact CE2-CG2 4.23Å; Y112-T156 VanDerWaalsContact CE2-OG1 3.32Å; Y112-T156 WeakPolarHBondContact CE2-OG1 2.96Å; Y112-P159 WeakPolarHBondContact OH-CA 3.43Å; Y112-L160 HydrophobicContact CD1-CD1 4.14Å; Y112-L160 HydrophobicContact CD2-CD1 4.32Å; Y112-L160 HydrophobicContact CE1-CB 4.1Å; Y112-L160 HydrophobicContact CE1-CD1 3.83Å; Y112-L160 HydrophobicContact CE1-CG 4.15Å; Y112-L160 HydrophobicContact CE2-CD1 4.04Å; Y112-L160 HydrophobicContact CE2-CG 4.16Å; Y112-L160 HydrophobicContact CG-CD1 4.39Å; Y112-L160 PolarHBondContact OH-N 3.43Å; Y112-I162 HydrophobicContact CD1-CD1 4.22Å; Y112-I162 HydrophobicContact CE1-CD1 4.09Å; Y112-I162 HydrophobicContact CE1-CG1 4.5Å; Y112-I187 HydrophobicContact CD1-CG2 4.02Å; Y112-I187 HydrophobicContact CG-CG2 4.27Å; Y112-K188 CarbonylContact C-O 3.58Å; Y112-K188 WeakPolarHBondContact CA-O 3.38Å; Y112-K188 WeakPolarHBondContact CB-O 3.47Å; Y112-W189 HydrophobicContact CD1-CB 3.94Å; Y112-W189 HydrophobicContact CE1-CB 3.85Å; Y112-W189 AromaticContact CE1-CD1 3.74Å; Y112-W189 HydrophobicContact CE1-CG 4.22Å; Y112-W189 AromaticContact CZ-CD1 3.94Å
113	D	96.8	Very high	91.5	Very high	39 Å²	39	60.1 Å²	60.1	21%	0.209	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	132.2	163.5	-168.3	74.2	0	0	0	109.1	S115 K152 I187 K188 I190	D113-S115 PolarHBondContact OD2-OG 2.94Å; D113-K152 CarbonylContact C-O 3.59Å; D113-K152 VanDerWaalsContact CA-O 3.32Å; D113-K152 WeakPolarHBondContact CA-O 3.46Å; D113-I187 WeakPolarHBondContact O-CA 3.46Å; D113-K188 PolarHBondContact N-O 3.11Å; D113-K188 PolarHBondContact O-N 3.01Å; D113-I190 HydrophobicContact CB-CD1 3.61Å; D113-I190 HydrophobicContact CB-CG1 4.03Å
114	V	96.9	Very high	91.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.8	173.2	-179.3	0	0	0	0	108.8	I116 V130 Y148 K152 M154 V185 T186	V114-I116 HydrophobicContact CG1-CD1 4.5Å; V114-I116 HydrophobicContact CG1-CG1 4.14Å; V114-V130 HydrophobicContact CG1-CG2 4.21Å; V114-Y148 HydrophobicContact CB-CE2 4.06Å; V114-Y148 HydrophobicContact CG1-CE2 4.38Å; V114-Y148 HydrophobicContact CG2-CE2 4.46Å; V114-K152 PolarHBondContact N-O 3.37Å; V114-K152 WeakPolarHBondContact O-CA 3.48Å; V114-M154 HydrophobicContact CG2-CB 3.55Å; V114-M154 HydrophobicContact CG2-CE 4.16Å; V114-M154 HydrophobicContact CG2-CG 4.43Å; V114-M154 HydrophobicContact CG2-SD 4.11Å; V114-V185 HydrophobicContact CG1-CG1 3.69Å; V114-T186 WeakPolarHBondContact CA-O 3.41Å
115	S	96.3	Very high	91.4	Very high	34 Å²	34	59 Å²	59	24%	0.238	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	176.7	-73.1	0	0	0	0	109.7	D113 V185 T186	D113-S115 PolarHBondContact OD2-OG 2.94Å; S115-V185 CarbonylContact O-C 3.45Å; S115-V185 WeakPolarHBondContact O-CA 3.42Å; S115-T186 PolarHBondContact N-O 2.91Å; S115-T186 PolarHBondContact O-N 3.01Å
116	I	95.4	Very high	91.7	Very high	17 Å²	17	58.1 Å²	58.1	9%	0.087	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124	-174.9	-58.3	174.9	0	0	0	109.2	V114 P118 E119 N126 I129 V130 F183 V185	V114-I116 HydrophobicContact CG1-CD1 4.5Å; V114-I116 HydrophobicContact CG1-CG1 4.14Å; I116-P118 CarbonylContact O-C 3.54Å; I116-E119 PolarHBondContact O-N 3.31Å; I116-N126 HydrophobicContact CD1-CB 3.83Å; I116-I129 HydrophobicContact CD1-CB 4.43Å; I116-I129 HydrophobicContact CD1-CD1 4.46Å; I116-I129 HydrophobicContact CD1-CG2 4.26Å; I116-I129 HydrophobicContact CG2-CD1 3.68Å; I116-I129 HydrophobicContact CG2-CG2 4.4Å; I116-V130 HydrophobicContact CD1-CG2 4.31Å; I116-F183 HydrophobicContact CG2-CB 4.47Å; I116-F183 HydrophobicContact CG2-CD1 4.16Å; I116-V185 HydrophobicContact CG1-CG1 4.24Å; I116-V185 HydrophobicContact CG1-CG2 4.34Å
117	S	93.6	Very high	92.1	Very high	53 Å²	53	57.6 Å²	57.6	37%	0.371	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.8	173.9	-172	0	0	0	0	111.1	F183 R184	S117-F183 WeakPolarHBondContact O-CA 3.36Å; S117-R184 PolarHBondContact N-O 3.31Å; S117-R184 PolarHBondContact O-N 3.3Å
118	P	88.3	Confident	92.2	Very high	74 Å²	74	59.8 Å²	59.8	48%	0.481	29%	0.29	S	S	.	.	S	Bend	cis	-68.8	140.2	0.2	26.9	-35.9	0	0	0	113.7	I116 F183	I116-P118 CarbonylContact O-C 3.54Å; P118-F183 HydrophobicContact CG-CD1 4.46Å; P118-F183 HydrophobicContact CG-CE1 4.27Å
119	E	73.5	Confident	92.2	Very high	147 Å²	147	54.9 Å²	54.9	69%	0.687	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	158.3	175.2	-60.4	-171.9	172	0	0	110.7	I116	I116-E119 PolarHBondContact O-N 3.31Å
120	K	83.5	Confident	92.1	Very high	210 Å²	210	55.1 Å²	55.1	91%	0.913	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	12.5	-178.4	-47.8	172.5	-179	176.6	0	116.7
121	C	86.5	Confident	92	Very high	31 Å²	31	55.8 Å²	55.8	21%	0.209	28%	0.276	C	S	.	.			trans	-62.9	142.7	166.5	-73.9	0	0	0	0	111.7	V125 N126	C121-V125 HydrophobicContact CB-CB 4.33Å; C121-V125 HydrophobicContact CB-CG1 4.26Å; C121-N126 WeakPolarHBondContact CB-OD1 3.26Å
122	P	88	Confident	91.8	Very high	76 Å²	76	57 Å²	57	49%	0.494	28%	0.284	S	S	.	.			trans	-58.4	146.7	173.5	-23	32.8	0	0	0	111.5	R124 V125 N126	P122-R124 PolarHBondContact O-N 2.66Å; P122-V125 HydrophobicContact CB-CG2 4.3Å; P122-V125 HydrophobicContact CG-CG2 4.22Å; P122-V125 WeakPolarHBondContact O-CA 3.48Å; P122-V125 WeakPolarHBondContact O-CB 3.36Å; P122-V125 PolarHBondContact O-N 2.82Å; P122-N126 PolarHBondContact O-N 2.89Å
123	R	92.2	Very high	91.7	Very high	134 Å²	134	56.9 Å²	56.9	51%	0.506	28%	0.284	S	S	.	.	H	α-helix	trans	-52.3	-34.3	-179.1	-65.3	-163.9	-169	-166.3	6.2	114.1	N126 R127 K151	R123-N126 PolarHBondContact O-N 2.9Å; R123-R127 VanDerWaalsContact O-CG 3.32Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.97Å; R123-K151 HydrophobicContact CG-CG 4.3Å
124	R	89.3	Confident	91.5	Very high	166 Å²	166	56.4 Å²	56.4	63%	0.626	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-45.9	175.5	179.5	174.7	173.8	156.2	2.6	111.6	P122 N126 R127 E128	P122-R124 PolarHBondContact O-N 2.66Å; R124-N126 VanDerWaalsContact C-N 3.34Å; R124-R127 WeakPolarHBondContact O-CB 3.19Å; R124-R127 PolarHBondContact O-N 2.86Å; R124-E128 IonicContact NE-OE1 3.92Å; R124-E128 PolarHBondContact NE-OE1 3.44Å; R124-E128 WeakPolarHBondContact O-CG 3.35Å; R124-E128 PolarHBondContact O-N 2.96Å
125	V	90.4	Very high	91.3	Very high	21 Å²	21	65.8 Å²	65.8	13%	0.127	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-42.7	176.3	-178.9	0	0	0	0	109.9	C121 P122 R127 E128 I129 L173 F183	C121-V125 HydrophobicContact CB-CB 4.33Å; C121-V125 HydrophobicContact CB-CG1 4.26Å; P122-V125 HydrophobicContact CB-CG2 4.3Å; P122-V125 HydrophobicContact CG-CG2 4.22Å; P122-V125 WeakPolarHBondContact O-CA 3.48Å; P122-V125 WeakPolarHBondContact O-CB 3.36Å; P122-V125 PolarHBondContact O-N 2.82Å; V125-R127 PolarHBondContact O-N 3.47Å; V125-E128 WeakPolarHBondContact O-CB 3.47Å; V125-E128 PolarHBondContact O-N 3.44Å; V125-I129 HydrophobicContact CG1-CD1 4.05Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 VanDerWaalsContact O-CG1 3.3Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 3.32Å; V125-L173 HydrophobicContact CG1-CD1 4.35Å; V125-F183 HydrophobicContact CG1-CZ 4.49Å
126	N	95.1	Very high	91.1	Very high	18 Å²	18	67.5 Å²	67.5	10%	0.096	33%	0.334	C	S	.	.	H	α-helix	trans	-57.8	-38.6	175.5	-64.3	-5.3	0	0	0	112.5	I116 C121 P122 R123 R124 I129 V130 Y148 G150	I116-N126 HydrophobicContact CD1-CB 3.83Å; C121-N126 WeakPolarHBondContact CB-OD1 3.26Å; P122-N126 PolarHBondContact O-N 2.89Å; R123-N126 PolarHBondContact O-N 2.9Å; R124-N126 VanDerWaalsContact C-N 3.34Å; N126-I129 PolarHBondContact O-N 3.06Å; N126-V130 WeakPolarHBondContact O-CG2 3.21Å; N126-V130 PolarHBondContact O-N 2.83Å; N126-Y148 HydrophobicContact CB-CE1 4.02Å; N126-G150 WeakPolarHBondContact CB-O 3.46Å; N126-G150 PolarHBondContact ND2-O 3.26Å
127	R	95	Very high	90.9	Very high	23 Å²	23	70.2 Å²	70.2	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-39.7	175.7	-70.9	172.5	-177.9	-75.9	-3.9	112	R123 R124 V125 V130 T131 Y148 D149 S226 L227	R123-R127 VanDerWaalsContact O-CG 3.32Å; R123-R127 WeakPolarHBondContact O-CG 3.38Å; R123-R127 PolarHBondContact O-N 2.97Å; R124-R127 WeakPolarHBondContact O-CB 3.19Å; R124-R127 PolarHBondContact O-N 2.86Å; V125-R127 PolarHBondContact O-N 3.47Å; R127-V130 PolarHBondContact O-N 2.93Å; R127-T131 WeakPolarHBondContact O-CB 3.39Å; R127-T131 PolarHBondContact O-N 3.36Å; R127-T131 PolarHBondContact O-OG1 2.83Å; R127-Y148 HydrophobicContact CG-CD1 4.2Å; R127-Y148 PolarHBondContact NH1-O 3.11Å; R127-Y148 PolarHBondContact NH2-O 3.12Å; R127-D149 PolarHBondContact NH2-O 2.87Å; R127-S226 VanDerWaalsContact CZ-CB 3.41Å; R127-L227 HydrophobicContact CB-CD2 3.86Å
128	E	92.8	Very high	90.7	Very high	69 Å²	69	70 Å²	70	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-45.1	173.4	-70.8	165.5	-166.5	0	0	110.7	R124 V125 V130 T131 T132 L173	R124-E128 IonicContact NE-OE1 3.92Å; R124-E128 PolarHBondContact NE-OE1 3.44Å; R124-E128 WeakPolarHBondContact O-CG 3.35Å; R124-E128 PolarHBondContact O-N 2.96Å; V125-E128 WeakPolarHBondContact O-CB 3.47Å; V125-E128 PolarHBondContact O-N 3.44Å; E128-V130 PolarHBondContact O-N 2.82Å; E128-T131 PolarHBondContact O-N 2.9Å; E128-T132 PolarHBondContact O-N 3.5Å; E128-T132 PolarHBondContact O-OG1 2.96Å; E128-T132 VanDerWaalsContact O-OG1 3.07Å; E128-L173 HydrophobicContact CB-CD1 4.27Å
129	I	94.2	Very high	90.6	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-56.3	-53.9	175.3	-65.7	168.2	0	0	0	110.4	I116 V125 N126 T131 T132 M133 V171 L173 F183 V185	I116-I129 HydrophobicContact CD1-CB 4.43Å; I116-I129 HydrophobicContact CD1-CD1 4.46Å; I116-I129 HydrophobicContact CD1-CG2 4.26Å; I116-I129 HydrophobicContact CG2-CD1 3.68Å; I116-I129 HydrophobicContact CG2-CG2 4.4Å; V125-I129 HydrophobicContact CG1-CD1 4.05Å; V125-I129 HydrophobicContact CG1-CG1 4.34Å; V125-I129 VanDerWaalsContact O-CG1 3.3Å; V125-I129 WeakPolarHBondContact O-CG1 3.45Å; V125-I129 PolarHBondContact O-N 3.32Å; N126-I129 PolarHBondContact O-N 3.06Å; I129-T131 VanDerWaalsContact C-N 3.32Å; I129-T131 PolarHBondContact O-N 3.17Å; I129-T132 PolarHBondContact O-N 3.47Å; I129-M133 WeakPolarHBondContact O-CB 3.47Å; I129-M133 PolarHBondContact O-N 3.43Å; I129-V171 HydrophobicContact CG2-CB 4.2Å; I129-V171 HydrophobicContact CG2-CG1 4.12Å; I129-V171 HydrophobicContact CG2-CG2 4.42Å; I129-L173 HydrophobicContact CB-CD1 4.43Å; I129-L173 HydrophobicContact CD1-CD1 4.47Å; I129-L173 HydrophobicContact CG1-CD1 3.43Å; I129-L173 VanDerWaalsContact CG1-CD1 3.43Å; I129-L173 HydrophobicContact CG1-CG 4.17Å; I129-F183 HydrophobicContact CD1-CB 4.3Å; I129-F183 HydrophobicContact CD1-CD1 3.49Å; I129-F183 VanDerWaalsContact CD1-CD1 3.49Å; I129-F183 HydrophobicContact CD1-CD2 3.86Å; I129-F183 HydrophobicContact CD1-CE1 3.67Å; I129-F183 HydrophobicContact CD1-CE2 3.99Å; I129-F183 HydrophobicContact CD1-CG 3.6Å; I129-F183 HydrophobicContact CD1-CZ 3.91Å; I129-F183 HydrophobicContact CG1-CD1 4.44Å; I129-F183 HydrophobicContact CG1-CD2 3.93Å; I129-F183 HydrophobicContact CG1-CE2 4.13Å; I129-F183 HydrophobicContact CG1-CG 4.09Å; I129-F183 HydrophobicContact CG1-CZ 4.49Å; I129-F183 HydrophobicContact CG2-CB 4.33Å; I129-V185 HydrophobicContact CG2-CG2 3.61Å
130	V	95.3	Very high	91.3	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.024	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-37.7	-179.2	172.1	0	0	0	0	111.5	V114 I116 N126 R127 E128 T132 M133 V134 Y148	V114-V130 HydrophobicContact CG1-CG2 4.21Å; I116-V130 HydrophobicContact CD1-CG2 4.31Å; N126-V130 WeakPolarHBondContact O-CG2 3.21Å; N126-V130 PolarHBondContact O-N 2.83Å; R127-V130 PolarHBondContact O-N 2.93Å; E128-V130 PolarHBondContact O-N 2.82Å; V130-T132 PolarHBondContact O-N 3Å; V130-M133 HydrophobicContact CB-CE 4.37Å; V130-M133 HydrophobicContact CG1-CE 4.01Å; V130-M133 HydrophobicContact CG2-CE 4.24Å; V130-M133 WeakPolarHBondContact O-CB 3.18Å; V130-M133 PolarHBondContact O-N 2.84Å; V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.81Å; V130-Y148 HydrophobicContact CB-CD1 3.87Å; V130-Y148 HydrophobicContact CB-CE1 4.16Å; V130-Y148 HydrophobicContact CB-CG 4.44Å; V130-Y148 HydrophobicContact CG1-CD1 4.16Å; V130-Y148 HydrophobicContact CG1-CG 4.25Å; V130-Y148 HydrophobicContact CG2-CD1 3.65Å; V130-Y148 HydrophobicContact CG2-CE1 3.48Å; V130-Y148 VanDerWaalsContact CG2-CE1 3.48Å; V130-Y148 HydrophobicContact CG2-CG 4.2Å
131	T	93.8	Very high	91.6	Very high	35 Å²	35	62.3 Å²	62.3	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-43.4	176.5	-56.9	0	0	0	0	111.4	R127 E128 I129 R135	R127-T131 WeakPolarHBondContact O-CB 3.39Å; R127-T131 PolarHBondContact O-N 3.36Å; R127-T131 PolarHBondContact O-OG1 2.83Å; E128-T131 PolarHBondContact O-N 2.9Å; I129-T131 VanDerWaalsContact C-N 3.32Å; I129-T131 PolarHBondContact O-N 3.17Å; T131-R135 WeakPolarHBondContact O-CG 3.42Å; T131-R135 PolarHBondContact O-N 2.71Å
132	T	93.7	Very high	91.7	Very high	44 Å²	44	66 Å²	66	27%	0.27	32%	0.316	S	S	.	.	H	α-helix	trans	-67.2	-41.3	176.5	-59.3	0	0	0	0	111.3	E128 I129 V130 V134 R135 A136 V171 L173	E128-T132 PolarHBondContact O-N 3.5Å; E128-T132 PolarHBondContact O-OG1 2.96Å; E128-T132 VanDerWaalsContact O-OG1 3.07Å; I129-T132 PolarHBondContact O-N 3.47Å; V130-T132 PolarHBondContact O-N 3Å; T132-V134 PolarHBondContact O-N 2.68Å; T132-R135 PolarHBondContact O-N 2.98Å; T132-A136 WeakPolarHBondContact O-CB 3.01Å; T132-A136 PolarHBondContact O-N 3.13Å; T132-V171 HydrophobicContact CG2-CG1 3.93Å; T132-L173 HydrophobicContact CG2-CD2 4.12Å; T132-L173 WeakPolarHBondContact OG1-CD2 3.42Å
133	M	94.8	Very high	91.6	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-57.2	-48.8	175.4	-174.2	-176.6	59.3	0	0	112	I129 V130 R135 A136 Y137 F141 L169 V171 V185 I187	I129-M133 WeakPolarHBondContact O-CB 3.47Å; I129-M133 PolarHBondContact O-N 3.43Å; V130-M133 HydrophobicContact CB-CE 4.37Å; V130-M133 HydrophobicContact CG1-CE 4.01Å; V130-M133 HydrophobicContact CG2-CE 4.24Å; V130-M133 WeakPolarHBondContact O-CB 3.18Å; V130-M133 PolarHBondContact O-N 2.84Å; M133-R135 VanDerWaalsContact C-N 3.26Å; M133-R135 PolarHBondContact O-N 3.45Å; M133-A136 PolarHBondContact O-N 2.97Å; M133-Y137 HydrophobicContact CG-CD2 4.08Å; M133-Y137 WeakPolarHBondContact O-CD2 3.49Å; M133-Y137 PolarHBondContact O-N 2.87Å; M133-F141 HydrophobicContact CE-CE1 4.44Å; M133-F141 HydrophobicContact CE-CE2 4.38Å; M133-F141 HydrophobicContact CE-CZ 3.61Å; M133-F141 HydrophobicContact CG-CE2 4.17Å; M133-F141 HydrophobicContact CG-CZ 4.3Å; M133-F141 HydrophobicContact SD-CZ 4.3Å; M133-L169 HydrophobicContact CG-CD1 3.86Å; M133-L169 HydrophobicContact SD-CB 4.48Å; M133-L169 HydrophobicContact SD-CD1 3.84Å; M133-V171 HydrophobicContact CB-CG1 4.49Å; M133-V171 HydrophobicContact CB-CG2 3.62Å; M133-V171 HydrophobicContact CG-CG2 3.78Å; M133-V171 HydrophobicContact SD-CG2 4.41Å; M133-V185 HydrophobicContact CE-CG1 4.23Å; M133-V185 HydrophobicContact SD-CB 3.81Å; M133-V185 HydrophobicContact SD-CG1 3.5Å; M133-V185 VanDerWaalsContact SD-CG1 3.5Å; M133-V185 HydrophobicContact SD-CG2 4.28Å; M133-I187 HydrophobicContact CE-CD1 3.83Å; M133-I187 HydrophobicContact CE-CG1 4.43Å; M133-I187 HydrophobicContact SD-CD1 3.86Å; M133-I187 HydrophobicContact SD-CG1 4.38Å
134	V	93.9	Very high	91.6	Very high	29 Å²	29	65.3 Å²	65.3	18%	0.176	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-37.4	-179.1	171.9	0	0	0	0	111.3	V130 T132 A138 F141 P146	V130-V134 HydrophobicContact CG1-CG2 4.27Å; V130-V134 WeakPolarHBondContact O-CG2 3.26Å; V130-V134 PolarHBondContact O-N 2.81Å; T132-V134 PolarHBondContact O-N 2.68Å; V134-A138 PolarHBondContact O-N 2.94Å; V134-F141 HydrophobicContact CB-CD2 4.35Å; V134-F141 HydrophobicContact CB-CE2 4.46Å; V134-F141 HydrophobicContact CG1-CD2 4.47Å; V134-F141 HydrophobicContact CG1-CG 4.32Å; V134-F141 HydrophobicContact CG2-CD1 4.13Å; V134-F141 HydrophobicContact CG2-CD2 4.28Å; V134-F141 HydrophobicContact CG2-CE1 3.92Å; V134-F141 HydrophobicContact CG2-CE2 4.1Å; V134-F141 HydrophobicContact CG2-CG 4.32Å; V134-F141 HydrophobicContact CG2-CZ 3.93Å; V134-P146 HydrophobicContact CB-CG 4.47Å; V134-P146 HydrophobicContact CG1-CG 4.13Å; V134-P146 HydrophobicContact CG2-CG 3.44Å; V134-P146 VanDerWaalsContact CG2-CG 3.44Å
135	R	91.4	Very high	91.8	Very high	196 Å²	196	63 Å²	63	74%	0.74	30%	0.303	S	S	*	.	H	α-helix	trans	-71.6	-45.9	175.6	-69.2	177.3	-174.5	173	1.1	112.5	T131 T132 M133	T131-R135 WeakPolarHBondContact O-CG 3.42Å; T131-R135 PolarHBondContact O-N 2.71Å; T132-R135 PolarHBondContact O-N 2.98Å; M133-R135 VanDerWaalsContact C-N 3.26Å; M133-R135 PolarHBondContact O-N 3.45Å
136	A	91.9	Very high	92.1	Very high	71 Å²	71	62.3 Å²	62.3	59%	0.587	30%	0.299	S	S	*	.	H	α-helix	trans	-67.8	-36.4	-176.4	0	0	0	0	0	112.4	T132 M133	T132-A136 WeakPolarHBondContact O-CB 3.01Å; T132-A136 PolarHBondContact O-N 3.13Å; M133-A136 PolarHBondContact O-N 2.97Å
137	Y	92.4	Very high	92.2	Very high	74 Å²	74	61.5 Å²	61.5	29%	0.29	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	39.7	-176.8	-62.2	-84.8	0	0	0	112.4	M133 R139 V140 F141 L169 E170	M133-Y137 HydrophobicContact CG-CD2 4.08Å; M133-Y137 WeakPolarHBondContact O-CD2 3.49Å; M133-Y137 PolarHBondContact O-N 2.87Å; Y137-R139 PolarHBondContact O-N 3.27Å; Y137-V140 HydrophobicContact CD1-CG2 4.5Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.14Å; Y137-V140 PolarHBondContact O-N 3.16Å; Y137-F141 WeakPolarHBondContact O-CD2 3.18Å; Y137-F141 PolarHBondContact O-N 3.28Å; Y137-L169 HydrophobicContact CD1-CD2 3.83Å; Y137-L169 HydrophobicContact CD2-CB 4.35Å; Y137-L169 HydrophobicContact CD2-CD1 4.05Å; Y137-L169 HydrophobicContact CD2-CD2 4.49Å; Y137-L169 HydrophobicContact CE1-CD2 3.86Å; Y137-L169 HydrophobicContact CE2-CB 4.02Å; Y137-L169 HydrophobicContact CG-CD1 4.05Å; Y137-L169 HydrophobicContact CG-CD2 4.16Å; Y137-E170 VanDerWaalsContact CE2-O 3.23Å; Y137-E170 WeakPolarHBondContact CE2-O 3.08Å; Y137-E170 PolarHBondContact OH-N 3.32Å; Y137-E170 PolarHBondContact OH-O 2.85Å
138	A	88.9	Confident	92.3	Very high	47 Å²	47	60.4 Å²	60.4	39%	0.388	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-29.2	-174.3	0	0	0	0	0	114.8	V134 F141 N142 Q143	V134-A138 PolarHBondContact O-N 2.94Å; A138-F141 CarbonylContact O-C 3.59Å; A138-F141 PolarHBondContact O-N 3.25Å; A138-N142 PolarHBondContact O-N 2.67Å; A138-Q143 PolarHBondContact O-N 2.77Å
139	R	86	Confident	92.5	Very high	236 Å²	236	58 Å²	58	89%	0.891	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-43	173.3	-68.5	-175.3	-179	176.8	0.2	112.8	Y137 F141 N142	Y137-R139 PolarHBondContact O-N 3.27Å; R139-F141 PolarHBondContact O-N 2.95Å; R139-N142 PolarHBondContact O-N 3.2Å; R139-N142 VanDerWaalsContact O-N 3.13Å
140	V	87.4	Confident	92.5	Very high	34 Å²	34	58 Å²	58	21%	0.206	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-32	176.4	179.8	0	0	0	0	110.7	Y137 P161 I162	Y137-V140 HydrophobicContact CD1-CG2 4.5Å; Y137-V140 WeakPolarHBondContact O-CA 3.36Å; Y137-V140 WeakPolarHBondContact O-CB 3.14Å; Y137-V140 PolarHBondContact O-N 3.16Å; V140-P161 VanDerWaalsContact O-CD 3.26Å; V140-P161 WeakPolarHBondContact O-CD 3.31Å; V140-P161 WeakPolarHBondContact O-CG 3.31Å; V140-I162 HydrophobicContact CG1-CG2 3.65Å
141	F	91.4	Very high	92.5	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.8	177.7	-66.6	-81.7	0	0	0	114	M133 V134 Y137 A138 R139 Q143 L144 P146 M154 L160 I187	M133-F141 HydrophobicContact CE-CE1 4.44Å; M133-F141 HydrophobicContact CE-CE2 4.38Å; M133-F141 HydrophobicContact CE-CZ 3.61Å; M133-F141 HydrophobicContact CG-CE2 4.17Å; M133-F141 HydrophobicContact CG-CZ 4.3Å; M133-F141 HydrophobicContact SD-CZ 4.3Å; V134-F141 HydrophobicContact CB-CD2 4.35Å; V134-F141 HydrophobicContact CB-CE2 4.46Å; V134-F141 HydrophobicContact CG1-CD2 4.47Å; V134-F141 HydrophobicContact CG1-CG 4.32Å; V134-F141 HydrophobicContact CG2-CD1 4.13Å; V134-F141 HydrophobicContact CG2-CD2 4.28Å; V134-F141 HydrophobicContact CG2-CE1 3.92Å; V134-F141 HydrophobicContact CG2-CE2 4.1Å; V134-F141 HydrophobicContact CG2-CG 4.32Å; V134-F141 HydrophobicContact CG2-CZ 3.93Å; Y137-F141 WeakPolarHBondContact O-CD2 3.18Å; Y137-F141 PolarHBondContact O-N 3.28Å; A138-F141 CarbonylContact O-C 3.59Å; A138-F141 PolarHBondContact O-N 3.25Å; R139-F141 PolarHBondContact O-N 2.95Å; F141-Q143 PolarHBondContact O-N 2.94Å; F141-Q143 VanDerWaalsContact O-N 3.13Å; F141-L144 WeakPolarHBondContact O-CA 3.49Å; F141-L144 WeakPolarHBondContact O-CB 3.28Å; F141-L144 VanDerWaalsContact O-CG 3.28Å; F141-L144 WeakPolarHBondContact O-CG 3.25Å; F141-L144 PolarHBondContact O-N 3.43Å; F141-P146 HydrophobicContact CD1-CG 3.87Å; F141-P146 HydrophobicContact CE1-CG 4.09Å; F141-M154 HydrophobicContact CE1-CE 4.14Å; F141-M154 HydrophobicContact CE1-SD 4.22Å; F141-L160 HydrophobicContact CD1-CD1 4.43Å; F141-L160 HydrophobicContact CD1-CD2 3.83Å; F141-L160 HydrophobicContact CE1-CD1 4.3Å; F141-L160 HydrophobicContact CE1-CD2 4.49Å; F141-I187 HydrophobicContact CE1-CD1 4.26Å; F141-I187 HydrophobicContact CZ-CD1 3.72Å
142	N	88	Confident	92.6	Very high	109 Å²	109	65 Å²	65	58%	0.583	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	40.6	-176.5	-164.7	35.3	0	0	0	113.7	A138 R139 L144 P161	A138-N142 PolarHBondContact O-N 2.67Å; R139-N142 PolarHBondContact O-N 3.2Å; R139-N142 VanDerWaalsContact O-N 3.13Å; N142-L144 PolarHBondContact O-N 3.01Å; N142-P161 HydrophobicContact CB-CG 4.34Å
143	Q	85.4	Confident	92.7	Very high	174 Å²	174	64.5 Å²	64.5	81%	0.813	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	5.2	-173.2	-51	-174.3	6.1	0	0	116.2	A138 F141	A138-Q143 PolarHBondContact O-N 2.77Å; F141-Q143 PolarHBondContact O-N 2.94Å; F141-Q143 VanDerWaalsContact O-N 3.13Å
144	L	92.2	Very high	92.9	Very high	21 Å²	21	64.5 Å²	64.5	11%	0.11	30%	0.303	C	S	.	.			trans	-64.3	153.9	175.2	-61	171.4	0	0	0	110.8	F141 N142 P146 E158 L160 E453	F141-L144 WeakPolarHBondContact O-CA 3.49Å; F141-L144 WeakPolarHBondContact O-CB 3.28Å; F141-L144 VanDerWaalsContact O-CG 3.28Å; F141-L144 WeakPolarHBondContact O-CG 3.25Å; F141-L144 PolarHBondContact O-N 3.43Å; N142-L144 PolarHBondContact O-N 3.01Å; L144-P146 WeakPolarHBondContact O-CD 3.28Å; L144-E158 HydrophobicContact CD1-CB 4.04Å; L144-E158 HydrophobicContact CD2-CB 4.09Å; L144-E158 HydrophobicContact CD2-CG 4.44Å; L144-L160 HydrophobicContact CD1-CD2 4.18Å; L144-E453 WeakPolarHBondContact CA-OE1 3.38Å; L144-E453 WeakPolarHBondContact CD2-OE1 3.22Å
145	R	94	Very high	93.1	Very high	117 Å²	117	63.3 Å²	63.3	44%	0.442	30%	0.295	S	S	.	.			trans	-105.6	83.5	177.4	-65.3	177.2	179.3	168.9	0.3	110.8	P449 F450 E453	R145-P449 PolarHBondContact NH1-O 2.7Å; R145-F450 HydrophobicContact CB-CD1 3.96Å; R145-F450 HydrophobicContact CB-CE1 4.19Å; R145-E453 HydrophobicContact CB-CB 4.36Å; R145-E453 HydrophobicContact CB-CG 4.1Å; R145-E453 PolarHBondContact N-OE1 3.24Å; R145-E453 VanDerWaalsContact N-OE1 3.15Å
146	P	96.5	Very high	93.3	Very high	7 Å²	7	54 Å²	54	5%	0.045	26%	0.26	C	S	.	.			trans	-63.7	146.9	178	26.8	-34.9	0	0	0	111.2	V134 F141 L144 M154 Y155 T156	V134-P146 HydrophobicContact CB-CG 4.47Å; V134-P146 HydrophobicContact CG1-CG 4.13Å; V134-P146 HydrophobicContact CG2-CG 3.44Å; V134-P146 VanDerWaalsContact CG2-CG 3.44Å; F141-P146 HydrophobicContact CD1-CG 3.87Å; F141-P146 HydrophobicContact CE1-CG 4.09Å; L144-P146 WeakPolarHBondContact O-CD 3.28Å; P146-M154 HydrophobicContact CB-CG 3.76Å; P146-M154 HydrophobicContact CB-SD 3.71Å; P146-M154 HydrophobicContact CG-SD 4.24Å; P146-Y155 VanDerWaalsContact CA-O 3.31Å; P146-Y155 WeakPolarHBondContact CA-O 3.3Å; P146-T156 HydrophobicContact CB-CG2 3.81Å
147	V	97.6	Very high	93.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.5	169.5	-63.6	0	0	0	0	110.1	M154 Y155 V219 I220 H223 F450 F454	V147-M154 CarbonylContact O-C 3.56Å; V147-M154 VanDerWaalsContact O-CA 3.22Å; V147-M154 WeakPolarHBondContact O-CA 3.49Å; V147-M154 WeakPolarHBondContact O-CG 3.47Å; V147-Y155 HydrophobicContact CG2-CD2 4.28Å; V147-Y155 PolarHBondContact N-O 2.85Å; V147-Y155 PolarHBondContact O-N 3.01Å; V147-V219 HydrophobicContact CB-CG1 4.38Å; V147-V219 HydrophobicContact CG2-CG1 4.09Å; V147-I220 HydrophobicContact CG1-CG2 4.48Å; V147-I220 HydrophobicContact CG2-CB 4.31Å; V147-I220 HydrophobicContact CG2-CG1 3.58Å; V147-H223 HydrophobicContact CB-CB 3.91Å; V147-H223 HydrophobicContact CG1-CB 3.75Å; V147-F450 HydrophobicContact CG1-CB 3.84Å; V147-F450 HydrophobicContact CG1-CD1 3.97Å; V147-F450 HydrophobicContact CG1-CG 4.25Å; V147-F454 HydrophobicContact CG1-CE2 3.87Å; V147-F454 HydrophobicContact CG1-CZ 4.49Å; V147-F454 HydrophobicContact CG2-CE2 4.03Å; V147-F454 HydrophobicContact CG2-CZ 3.81Å
148	Y	97.7	Very high	93.6	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.4	-172.2	179.7	-131	0	0	0	112.2	V114 N126 R127 V130 G150 K151 N153 M154 H223	V114-Y148 HydrophobicContact CB-CE2 4.06Å; V114-Y148 HydrophobicContact CG1-CE2 4.38Å; V114-Y148 HydrophobicContact CG2-CE2 4.46Å; N126-Y148 HydrophobicContact CB-CE1 4.02Å; R127-Y148 HydrophobicContact CG-CD1 4.2Å; R127-Y148 PolarHBondContact NH1-O 3.11Å; R127-Y148 PolarHBondContact NH2-O 3.12Å; V130-Y148 HydrophobicContact CB-CD1 3.87Å; V130-Y148 HydrophobicContact CB-CE1 4.16Å; V130-Y148 HydrophobicContact CB-CG 4.44Å; V130-Y148 HydrophobicContact CG1-CD1 4.16Å; V130-Y148 HydrophobicContact CG1-CG 4.25Å; V130-Y148 HydrophobicContact CG2-CD1 3.65Å; V130-Y148 HydrophobicContact CG2-CE1 3.48Å; V130-Y148 VanDerWaalsContact CG2-CE1 3.48Å; V130-Y148 HydrophobicContact CG2-CG 4.2Å; Y148-G150 VanDerWaalsContact C-N 3.33Å; Y148-K151 PolarHBondContact OH-N 3.12Å; Y148-K151 PolarHBondContact OH-O 3.07Å; Y148-N153 WeakPolarHBondContact CA-O 3.36Å; Y148-N153 VanDerWaalsContact CD2-O 3.26Å; Y148-N153 WeakPolarHBondContact CD2-O 3.4Å; Y148-M154 HydrophobicContact CD2-CB 4.21Å; Y148-H223 PolarHBondContact N-CE1 3.26Å; Y148-H223 PolarHBondContact N-ND1 3.2Å; Y148-H223 PolarHBondContact O-ND1 2.56Å
149	D	95.5	Very high	93.8	Very high	19 Å²	19	55.7 Å²	55.7	10%	0.102	25%	0.254	C	S	.	.			trans	-83.1	-6.3	179.9	80	-19.8	0	0	0	114.1	R127 K151 K152 N153 V219	R127-D149 PolarHBondContact NH2-O 2.87Å; D149-K151 VanDerWaalsContact C-N 3.34Å; D149-K151 WeakPolarHBondContact OD1-CA 3.35Å; D149-K151 PolarHBondContact OD1-N 2.78Å; D149-K152 PolarHBondContact OD1-N 3.37Å; D149-N153 HydrophobicContact CB-CB 4.28Å; D149-N153 PolarHBondContact N-O 3.41Å; D149-N153 PolarHBondContact OD1-N 2.71Å; D149-N153 PolarHBondContact OD2-ND2 2.94Å; D149-V219 HydrophobicContact CB-CG1 4.2Å; D149-V219 HydrophobicContact CB-CG2 3.77Å
150	G	94.7	Very high	94.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	83.2	7.6	-177.5	0	0	0	0	0	114.1	N126 Y148	N126-G150 WeakPolarHBondContact CB-O 3.46Å; N126-G150 PolarHBondContact ND2-O 3.26Å; Y148-G150 VanDerWaalsContact C-N 3.33Å
151	K	94.5	Very high	94.4	Very high	79 Å²	79	47.4 Å²	47.4	34%	0.343	23%	0.231	S	C	.	.	S	Bend	trans	-128.9	-74.6	179.8	-82.5	-175.1	157.2	-170.3	0	112.7	R123 Y148 D149	R123-K151 HydrophobicContact CG-CG 4.3Å; Y148-K151 PolarHBondContact OH-N 3.12Å; Y148-K151 PolarHBondContact OH-O 3.07Å; D149-K151 VanDerWaalsContact C-N 3.34Å; D149-K151 WeakPolarHBondContact OD1-CA 3.35Å; D149-K151 PolarHBondContact OD1-N 2.78Å
152	K	95.6	Very high	94.2	Very high	106 Å²	106	48.5 Å²	48.5	46%	0.461	24%	0.237	S	C	.	.	S	Bend	trans	-143.7	-18.3	-171.4	-70.6	-161	173.5	-156.9	0	113.6	D113 V114 D149	D113-K152 CarbonylContact C-O 3.59Å; D113-K152 VanDerWaalsContact CA-O 3.32Å; D113-K152 WeakPolarHBondContact CA-O 3.46Å; V114-K152 PolarHBondContact N-O 3.37Å; V114-K152 WeakPolarHBondContact O-CA 3.48Å; D149-K152 PolarHBondContact OD1-N 3.37Å
153	N	97.5	Very high	94.1	Very high	33 Å²	33	45.8 Å²	45.8	18%	0.176	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.9	-170.6	-56.4	-70.3	0	0	0	110	H111 Y148 D149 Y155	H111-N153 PolarHBondContact CE1-OD1 2.92Å; H111-N153 PolarHBondContact NE2-OD1 2.87Å; Y148-N153 WeakPolarHBondContact CA-O 3.36Å; Y148-N153 VanDerWaalsContact CD2-O 3.26Å; Y148-N153 WeakPolarHBondContact CD2-O 3.4Å; D149-N153 HydrophobicContact CB-CB 4.28Å; D149-N153 PolarHBondContact N-O 3.41Å; D149-N153 PolarHBondContact OD1-N 2.71Å; D149-N153 PolarHBondContact OD2-ND2 2.94Å; N153-Y155 HydrophobicContact CB-CE2 3.94Å
154	M	97.8	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141	171.3	-175	178.1	71.5	0	0	109.9	Y112 V114 F141 P146 V147 Y148 L160 I187	Y112-M154 HydrophobicContact CD2-CE 4.24Å; Y112-M154 HydrophobicContact CG-CE 4.15Å; Y112-M154 PolarHBondContact N-O 3.04Å; Y112-M154 PolarHBondContact O-N 2.88Å; V114-M154 HydrophobicContact CG2-CB 3.55Å; V114-M154 HydrophobicContact CG2-CE 4.16Å; V114-M154 HydrophobicContact CG2-CG 4.43Å; V114-M154 HydrophobicContact CG2-SD 4.11Å; F141-M154 HydrophobicContact CE1-CE 4.14Å; F141-M154 HydrophobicContact CE1-SD 4.22Å; P146-M154 HydrophobicContact CB-CG 3.76Å; P146-M154 HydrophobicContact CB-SD 3.71Å; P146-M154 HydrophobicContact CG-SD 4.24Å; V147-M154 CarbonylContact O-C 3.56Å; V147-M154 VanDerWaalsContact O-CA 3.22Å; V147-M154 WeakPolarHBondContact O-CA 3.49Å; V147-M154 WeakPolarHBondContact O-CG 3.47Å; Y148-M154 HydrophobicContact CD2-CB 4.21Å; M154-L160 HydrophobicContact CE-CD1 3.87Å; M154-I187 HydrophobicContact CE-CD1 4.36Å; M154-I187 HydrophobicContact CE-CG2 3.76Å
155	Y	97.9	Very high	94.1	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.9	178	-54.7	-88.9	0	0	0	111.1	I109 H110 H111 P146 V147 N153 V193 A216 V219	I109-Y155 HydrophobicContact CD1-CD1 4.19Å; H110-Y155 VanDerWaalsContact O-CA 3.23Å; H110-Y155 WeakPolarHBondContact O-CA 3.49Å; H111-Y155 HydrophobicContact CB-CD1 3.86Å; H111-Y155 HydrophobicContact CB-CE1 3.7Å; H111-Y155 AromaticContact CD2-CE1 3.46Å; H111-Y155 VanDerWaalsContact CD2-CE1 3.46Å; H111-Y155 WeakPolarHBondContact CD2-CE1 3.47Å; H111-Y155 AromaticContact CD2-CZ 3.74Å; H111-Y155 AromaticContact CG-CE1 3.6Å; P146-Y155 VanDerWaalsContact CA-O 3.31Å; P146-Y155 WeakPolarHBondContact CA-O 3.3Å; V147-Y155 HydrophobicContact CG2-CD2 4.28Å; V147-Y155 PolarHBondContact N-O 2.85Å; V147-Y155 PolarHBondContact O-N 3.01Å; N153-Y155 HydrophobicContact CB-CE2 3.94Å; Y155-V193 HydrophobicContact CE1-CG2 4.42Å; Y155-A216 HydrophobicContact CD1-CB 3.98Å; Y155-A216 HydrophobicContact CE1-CB 3.71Å; Y155-A216 HydrophobicContact CE2-CB 4.28Å; Y155-A216 HydrophobicContact CG-CB 4.36Å; Y155-V219 HydrophobicContact CD2-CB 4.16Å; Y155-V219 HydrophobicContact CD2-CG1 3.89Å; Y155-V219 HydrophobicContact CE2-CB 3.98Å; Y155-V219 HydrophobicContact CE2-CG1 4.02Å; Y155-V219 HydrophobicContact CE2-CG2 4.06Å
156	T	96.9	Very high	94	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	155	169.3	60.7	0	0	0	0	110.3	H110 Y112 P146 E158 L160 F454	H110-T156 PolarHBondContact N-O 2.81Å; H110-T156 PolarHBondContact O-N 2.87Å; Y112-T156 HydrophobicContact CE2-CG2 4.23Å; Y112-T156 VanDerWaalsContact CE2-OG1 3.32Å; Y112-T156 WeakPolarHBondContact CE2-OG1 2.96Å; P146-T156 HydrophobicContact CB-CG2 3.81Å; T156-E158 VanDerWaalsContact CB-O 3.28Å; T156-E158 WeakPolarHBondContact CB-O 3.4Å; T156-E158 PolarHBondContact OG1-O 2.9Å; T156-L160 HydrophobicContact CG2-CD1 4.42Å; T156-L160 HydrophobicContact CG2-CD2 4.07Å; T156-L160 HydrophobicContact CG2-CG 4.12Å; T156-F454 VanDerWaalsContact C-CE1 3.49Å
157	R	94.8	Very high	93.8	Very high	57 Å²	57	53 Å²	53	22%	0.215	27%	0.27	C	S	.	.	S	Bend	trans	-71.1	-50.4	174.6	178	54.4	175.8	156.1	-8.4	111.1	G106 F108 H110 F454	G106-R157 PolarHBondContact O-NH2 3.24Å; F108-R157 PolarHBondContact O-NH1 2.86Å; H110-R157 PolarHBondContact CD2-O 3.42Å; R157-F454 HydrophobicContact CB-CD1 4.24Å; R157-F454 HydrophobicContact CB-CE1 4.4Å
158	E	94.4	Very high	93.7	Very high	104 Å²	104	57 Å²	57	49%	0.486	29%	0.288	S	S	.	.	S	Bend	trans	-102.1	155.2	176.5	-63.6	-55.1	139.5	0	0	111.2	L144 T156	L144-E158 HydrophobicContact CD1-CB 4.04Å; L144-E158 HydrophobicContact CD2-CB 4.09Å; L144-E158 HydrophobicContact CD2-CG 4.44Å; T156-E158 VanDerWaalsContact CB-O 3.28Å; T156-E158 WeakPolarHBondContact CB-O 3.4Å; T156-E158 PolarHBondContact OG1-O 2.9Å
159	P	93.8	Very high	93.6	Very high	68 Å²	68	57.6 Å²	57.6	44%	0.442	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-63.8	141.2	177.9	24.9	-31.5	0	0	0	111.5	H110 Y112	H110-P159 WeakPolarHBondContact NE2-CD 3.23Å; Y112-P159 WeakPolarHBondContact OH-CA 3.43Å
160	L	93.8	Very high	93.6	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.037	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72.4	142.6	171.7	-68.6	176.6	0	0	0	109.5	Y112 F141 L144 M154 T156 I162 I187	Y112-L160 HydrophobicContact CD1-CD1 4.14Å; Y112-L160 HydrophobicContact CD2-CD1 4.32Å; Y112-L160 HydrophobicContact CE1-CB 4.1Å; Y112-L160 HydrophobicContact CE1-CD1 3.83Å; Y112-L160 HydrophobicContact CE1-CG 4.15Å; Y112-L160 HydrophobicContact CE2-CD1 4.04Å; Y112-L160 HydrophobicContact CE2-CG 4.16Å; Y112-L160 HydrophobicContact CG-CD1 4.39Å; Y112-L160 PolarHBondContact OH-N 3.43Å; F141-L160 HydrophobicContact CD1-CD1 4.43Å; F141-L160 HydrophobicContact CD1-CD2 3.83Å; F141-L160 HydrophobicContact CE1-CD1 4.3Å; F141-L160 HydrophobicContact CE1-CD2 4.49Å; L144-L160 HydrophobicContact CD1-CD2 4.18Å; M154-L160 HydrophobicContact CE-CD1 3.87Å; T156-L160 HydrophobicContact CG2-CD1 4.42Å; T156-L160 HydrophobicContact CG2-CD2 4.07Å; T156-L160 HydrophobicContact CG2-CG 4.12Å; L160-I162 HydrophobicContact CB-CD1 4.1Å; L160-I162 HydrophobicContact CB-CG1 3.84Å; L160-I162 HydrophobicContact CD1-CD1 4.11Å; L160-I162 PolarHBondContact O-N 3.04Å; L160-I187 HydrophobicContact CD1-CG2 4.48Å
161	P	91.3	Very high	93.5	Very high	88 Å²	88	63 Å²	63	57%	0.571	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	45.4	177.6	33.9	-39.7	0	0	0	112.8	V140 N142	V140-P161 VanDerWaalsContact O-CD 3.26Å; V140-P161 WeakPolarHBondContact O-CD 3.31Å; V140-P161 WeakPolarHBondContact O-CG 3.31Å; N142-P161 HydrophobicContact CB-CG 4.34Å
162	I	87.6	Confident	93.3	Very high	25 Å²	25	62 Å²	62	13%	0.128	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-2.9	179.5	64.9	176.7	0	0	0	112.6	Y112 V140 L160 V167 I187	Y112-I162 HydrophobicContact CD1-CD1 4.22Å; Y112-I162 HydrophobicContact CE1-CD1 4.09Å; Y112-I162 HydrophobicContact CE1-CG1 4.5Å; V140-I162 HydrophobicContact CG1-CG2 3.65Å; L160-I162 HydrophobicContact CB-CD1 4.1Å; L160-I162 HydrophobicContact CB-CG1 3.84Å; L160-I162 HydrophobicContact CD1-CD1 4.11Å; L160-I162 PolarHBondContact O-N 3.04Å; I162-V167 HydrophobicContact CB-CG2 3.71Å; I162-V167 HydrophobicContact CD1-CG2 4.5Å; I162-V167 HydrophobicContact CG2-CG2 3.89Å; I162-I187 HydrophobicContact CD1-CB 4.41Å; I162-I187 HydrophobicContact CD1-CG2 3.83Å
163	G	87	Confident	92.9	Very high	51 Å²	51	57.3 Å²	57.3	53%	0.526	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-148.9	-173.3	0	0	0	0	0	112.5
164	K	88.9	Confident	91.9	Very high	146 Å²	146	60.8 Å²	60.8	64%	0.635	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.6	178.2	-64.9	-175.9	178	176.8	0	113.5	W189	K164-W189 HydrophobicContact CB-CE3 4.3Å; K164-W189 HydrophobicContact CD-CE3 3.94Å; K164-W189 HydrophobicContact CD-CZ3 3.9Å; K164-W189 HydrophobicContact CG-CD2 4.22Å; K164-W189 HydrophobicContact CG-CE3 3.75Å; K164-W189 HydrophobicContact CG-CZ3 4.23Å
165	E	87.8	Confident	90.2	Very high	155 Å²	155	61.9 Å²	61.9	72%	0.724	33%	0.333	S	S	*	.	S	Bend	trans	-77	163.2	-178.2	-61.8	-156.4	161.9	0	0	111.8
166	K	91.8	Very high	88.3	Confident	131 Å²	131	66.2 Å²	66.2	57%	0.57	36%	0.356	S	S	*	.			trans	-76.3	136.6	173.9	62.2	163.2	-171.7	156.3	0	109.6	E168 T186 I187 K188	K166-E168 IonicContact NZ-OE1 3.14Å; K166-E168 PolarHBondContact NZ-OE1 3.35Å; K166-T186 HydrophobicContact CB-CG2 3.93Å; K166-T186 HydrophobicContact CD-CG2 4.29Å; K166-I187 WeakPolarHBondContact CA-O 3.29Å; K166-K188 HydrophobicContact CB-CB 4.39Å
167	V	93.7	Very high	86.4	Confident	38 Å²	38	68.8 Å²	68.8	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.3	170.4	177.4	0	0	0	0	108.7	I162 L169 T186 I187	I162-V167 HydrophobicContact CB-CG2 3.71Å; I162-V167 HydrophobicContact CD1-CG2 4.5Å; I162-V167 HydrophobicContact CG2-CG2 3.89Å; V167-L169 HydrophobicContact CG1-CD2 3.96Å; V167-L169 HydrophobicContact CG1-CG 4.17Å; V167-T186 CarbonylContact O-C 3.49Å; V167-T186 VanDerWaalsContact O-CA 3.29Å; V167-T186 WeakPolarHBondContact O-CA 3.35Å; V167-I187 PolarHBondContact N-O 2.81Å; V167-I187 PolarHBondContact O-N 2.61Å
168	E	95.3	Very high	84.5	Confident	84 Å²	84	71.5 Å²	71.5	39%	0.393	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.2	176.2	-65.1	-175.9	-162.8	0	0	109.3	K166 R184 V185 T186	K166-E168 IonicContact NZ-OE1 3.14Å; K166-E168 PolarHBondContact NZ-OE1 3.35Å; E168-R184 IonicContact OE2-NE 3.35Å; E168-V185 CarbonylContact C-O 3.59Å; E168-V185 WeakPolarHBondContact CA-O 3.39Å; E168-T186 HydrophobicContact CG-CG2 4.11Å
169	L	94.6	Very high	83.1	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.073	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.6	-179.7	-59.7	177.2	0	0	0	109.3	M133 Y137 V167 V185 I187	M133-L169 HydrophobicContact CG-CD1 3.86Å; M133-L169 HydrophobicContact SD-CB 4.48Å; M133-L169 HydrophobicContact SD-CD1 3.84Å; Y137-L169 HydrophobicContact CD1-CD2 3.83Å; Y137-L169 HydrophobicContact CD2-CB 4.35Å; Y137-L169 HydrophobicContact CD2-CD1 4.05Å; Y137-L169 HydrophobicContact CD2-CD2 4.49Å; Y137-L169 HydrophobicContact CE1-CD2 3.86Å; Y137-L169 HydrophobicContact CE2-CB 4.02Å; Y137-L169 HydrophobicContact CG-CD1 4.05Å; Y137-L169 HydrophobicContact CG-CD2 4.16Å; V167-L169 HydrophobicContact CG1-CD2 3.96Å; V167-L169 HydrophobicContact CG1-CG 4.17Å; L169-V185 PolarHBondContact N-O 3.42Å; L169-V185 PolarHBondContact O-N 3.32Å; L169-I187 HydrophobicContact CD1-CD1 3.98Å
170	E	95.2	Very high	82.2	Confident	131 Å²	131	74.7 Å²	74.7	61%	0.612	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	131	173.2	-68.1	-168.3	162.4	0	0	110.6	Y137 F183	Y137-E170 VanDerWaalsContact CE2-O 3.23Å; Y137-E170 WeakPolarHBondContact CE2-O 3.08Å; Y137-E170 PolarHBondContact OH-N 3.32Å; Y137-E170 PolarHBondContact OH-O 2.85Å; E170-F183 WeakPolarHBondContact CA-O 3.31Å
171	V	93.3	Very high	81.8	Confident	3 Å²	3	78.6 Å²	78.6	2%	0.018	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.3	-175.9	-175.5	0	0	0	0	109.1	I129 T132 M133 F183 V185	I129-V171 HydrophobicContact CG2-CB 4.2Å; I129-V171 HydrophobicContact CG2-CG1 4.12Å; I129-V171 HydrophobicContact CG2-CG2 4.42Å; T132-V171 HydrophobicContact CG2-CG1 3.93Å; M133-V171 HydrophobicContact CB-CG1 4.49Å; M133-V171 HydrophobicContact CB-CG2 3.62Å; M133-V171 HydrophobicContact CG-CG2 3.78Å; M133-V171 HydrophobicContact SD-CG2 4.41Å; V171-F183 PolarHBondContact N-O 3.13Å; V171-F183 PolarHBondContact O-N 3.45Å; V171-V185 HydrophobicContact CB-CG2 4.37Å; V171-V185 HydrophobicContact CG2-CB 4.47Å; V171-V185 HydrophobicContact CG2-CG2 3.72Å
172	T	90.6	Very high	81.7	Confident	57 Å²	57	81 Å²	81	35%	0.35	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.7	175.7	-53.9	0	0	0	0	109.7	E180 R181	T172-E180 HydrophobicContact CG2-CB 3.7Å; T172-E180 HydrophobicContact CG2-CG 4.2Å; T172-E180 WeakPolarHBondContact CG2-OE2 3.47Å; T172-R181 WeakPolarHBondContact CA-O 3.48Å
173	L	86.5	Confident	82	Confident	8 Å²	8	80.4 Å²	80.4	4%	0.042	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.5	170.3	-73.1	-176.2	0	0	0	111	V125 E128 I129 T132 G175 R181 F183	V125-L173 HydrophobicContact CG1-CD1 4.35Å; E128-L173 HydrophobicContact CB-CD1 4.27Å; I129-L173 HydrophobicContact CB-CD1 4.43Å; I129-L173 HydrophobicContact CD1-CD1 4.47Å; I129-L173 HydrophobicContact CG1-CD1 3.43Å; I129-L173 VanDerWaalsContact CG1-CD1 3.43Å; I129-L173 HydrophobicContact CG1-CG 4.17Å; T132-L173 HydrophobicContact CG2-CD2 4.12Å; T132-L173 WeakPolarHBondContact OG1-CD2 3.42Å; L173-G175 PolarHBondContact O-N 2.98Å; L173-R181 PolarHBondContact N-O 2.67Å; L173-R181 PolarHBondContact O-N 2.83Å; L173-F183 HydrophobicContact CB-CE2 4.16Å; L173-F183 HydrophobicContact CD1-CD2 4.41Å; L173-F183 HydrophobicContact CD1-CE2 3.91Å; L173-F183 HydrophobicContact CG-CD2 4.36Å; L173-F183 HydrophobicContact CG-CE2 4.16Å
174	P	75.8	Confident	82.5	Confident	105 Å²	105	84.1 Å²	84.1	68%	0.682	44%	0.437	S	S	*	.			trans	-59.4	131.6	166.4	24.5	-30.5	0	0	0	109.5
175	G	63.5	Low	82.8	Confident	23 Å²	23	77.2 Å²	77.2	24%	0.237	41%	0.407	C	S	.	.			trans	-81.9	161.3	176.2	0	0	0	0	0	112.1	L173 S177	L173-G175 PolarHBondContact O-N 2.98Å; G175-S177 PolarHBondContact O-N 3.2Å; G175-S177 VanDerWaalsContact O-N 3.1Å
176	D	58.7	Low	83.2	Confident	96 Å²	96	71.2 Å²	71.2	51%	0.513	38%	0.381	S	S	.	.	S	Bend	trans	-70.6	8.8	163.7	-73.9	-20.9	0	0	0	111.8	K335	D176-K335 IonicContact OD1-NZ 3.18Å; D176-K335 IonicContact OD2-NZ 2.74Å; D176-K335 PolarHBondContact OD2-NZ 3.44Å
177	S	55.5	Low	83.5	Confident	53 Å²	53	65 Å²	65	37%	0.371	35%	0.354	S	S	.	.	S	Bend	trans	-145.2	163.9	-175.3	43.8	0	0	0	0	108.5	G175 V179	G175-S177 PolarHBondContact O-N 3.2Å; G175-S177 VanDerWaalsContact O-N 3.1Å; S177-V179 PolarHBondContact O-N 3.48Å
178	A	55.6	Low	83.6	Confident	115 Å²	115	68.5 Å²	68.5	95%	0.95	37%	0.366	S	S	*	.	S	Bend	trans	-63.3	11.6	179	0	0	0	0	0	115.5
179	V	64.2	Low	83.7	Confident	103 Å²	103	67.2 Å²	67.2	62%	0.624	36%	0.358	S	S	*	.	S	Bend	trans	-113.6	115.7	179.3	-174.3	0	0	0	0	108	S177	S177-V179 PolarHBondContact O-N 3.48Å
180	E	76.2	Confident	83.7	Confident	135 Å²	135	70.1 Å²	70.1	63%	0.631	37%	0.373	S	S	*	.			trans	-63.5	143.1	171.7	-64.6	-172.2	156.9	0	0	110.5	T172	T172-E180 HydrophobicContact CG2-CB 3.7Å; T172-E180 HydrophobicContact CG2-CG 4.2Å; T172-E180 WeakPolarHBondContact CG2-OE2 3.47Å
181	R	85	Confident	83.7	Confident	90 Å²	90	65.1 Å²	65.1	34%	0.34	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.6	177.7	-67.4	179.8	-67.7	166	-1.1	109	T172 L173 F183	T172-R181 WeakPolarHBondContact CA-O 3.48Å; L173-R181 PolarHBondContact N-O 2.67Å; L173-R181 PolarHBondContact O-N 2.83Å; R181-F183 HydrophobicContact CB-CD2 4.38Å; R181-F183 HydrophobicContact CB-CE2 3.5Å; R181-F183 HydrophobicContact CB-CZ 3.91Å; R181-F183 WeakPolarHBondContact O-CD2 3.43Å; R181-F183 WeakPolarHBondContact O-CE2 3.25Å
182	Q	89.4	Confident	83.8	Confident	139 Å²	139	69.9 Å²	69.9	65%	0.65	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	136.5	173.4	-68.9	178.7	-12.6	0	0	110.6
183	F	94	Very high	84.1	Confident	11 Å²	11	67.4 Å²	67.4	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.8	177.2	-63.4	-86.2	0	0	0	109.5	I116 S117 P118 V125 I129 E170 V171 L173 R181	I116-F183 HydrophobicContact CG2-CB 4.47Å; I116-F183 HydrophobicContact CG2-CD1 4.16Å; S117-F183 WeakPolarHBondContact O-CA 3.36Å; P118-F183 HydrophobicContact CG-CD1 4.46Å; P118-F183 HydrophobicContact CG-CE1 4.27Å; V125-F183 HydrophobicContact CG1-CZ 4.49Å; I129-F183 HydrophobicContact CD1-CB 4.3Å; I129-F183 HydrophobicContact CD1-CD1 3.49Å; I129-F183 VanDerWaalsContact CD1-CD1 3.49Å; I129-F183 HydrophobicContact CD1-CD2 3.86Å; I129-F183 HydrophobicContact CD1-CE1 3.67Å; I129-F183 HydrophobicContact CD1-CE2 3.99Å; I129-F183 HydrophobicContact CD1-CG 3.6Å; I129-F183 HydrophobicContact CD1-CZ 3.91Å; I129-F183 HydrophobicContact CG1-CD1 4.44Å; I129-F183 HydrophobicContact CG1-CD2 3.93Å; I129-F183 HydrophobicContact CG1-CE2 4.13Å; I129-F183 HydrophobicContact CG1-CG 4.09Å; I129-F183 HydrophobicContact CG1-CZ 4.49Å; I129-F183 HydrophobicContact CG2-CB 4.33Å; E170-F183 WeakPolarHBondContact CA-O 3.31Å; V171-F183 PolarHBondContact N-O 3.13Å; V171-F183 PolarHBondContact O-N 3.45Å; L173-F183 HydrophobicContact CB-CE2 4.16Å; L173-F183 HydrophobicContact CD1-CD2 4.41Å; L173-F183 HydrophobicContact CD1-CE2 3.91Å; L173-F183 HydrophobicContact CG-CD2 4.36Å; L173-F183 HydrophobicContact CG-CE2 4.16Å; R181-F183 HydrophobicContact CB-CD2 4.38Å; R181-F183 HydrophobicContact CB-CE2 3.5Å; R181-F183 HydrophobicContact CB-CZ 3.91Å; R181-F183 WeakPolarHBondContact O-CD2 3.43Å; R181-F183 WeakPolarHBondContact O-CE2 3.25Å
184	R	95.9	Very high	84.5	Confident	130 Å²	130	67.8 Å²	67.8	49%	0.491	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.1	168.6	-168.9	175.5	68.8	-171.1	1.6	109	S117 E168	S117-R184 PolarHBondContact N-O 3.31Å; S117-R184 PolarHBondContact O-N 3.3Å; E168-R184 IonicContact OE2-NE 3.35Å
185	V	96.8	Very high	85.3	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124	-178.8	-172	0	0	0	0	109.4	V114 S115 I116 I129 M133 E168 L169 V171	V114-V185 HydrophobicContact CG1-CG1 3.69Å; S115-V185 CarbonylContact O-C 3.45Å; S115-V185 WeakPolarHBondContact O-CA 3.42Å; I116-V185 HydrophobicContact CG1-CG1 4.24Å; I116-V185 HydrophobicContact CG1-CG2 4.34Å; I129-V185 HydrophobicContact CG2-CG2 3.61Å; M133-V185 HydrophobicContact CE-CG1 4.23Å; M133-V185 HydrophobicContact SD-CB 3.81Å; M133-V185 HydrophobicContact SD-CG1 3.5Å; M133-V185 VanDerWaalsContact SD-CG1 3.5Å; M133-V185 HydrophobicContact SD-CG2 4.28Å; E168-V185 CarbonylContact C-O 3.59Å; E168-V185 WeakPolarHBondContact CA-O 3.39Å; L169-V185 PolarHBondContact N-O 3.42Å; L169-V185 PolarHBondContact O-N 3.32Å; V171-V185 HydrophobicContact CB-CG2 4.37Å; V171-V185 HydrophobicContact CG2-CB 4.47Å; V171-V185 HydrophobicContact CG2-CG2 3.72Å
186	T	96.5	Very high	86.6	Confident	29 Å²	29	63.7 Å²	63.7	18%	0.178	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.7	174.2	-51.5	0	0	0	0	109.5	V114 S115 K166 V167 E168	V114-T186 WeakPolarHBondContact CA-O 3.41Å; S115-T186 PolarHBondContact N-O 2.91Å; S115-T186 PolarHBondContact O-N 3.01Å; K166-T186 HydrophobicContact CB-CG2 3.93Å; K166-T186 HydrophobicContact CD-CG2 4.29Å; V167-T186 CarbonylContact O-C 3.49Å; V167-T186 VanDerWaalsContact O-CA 3.29Å; V167-T186 WeakPolarHBondContact O-CA 3.35Å; E168-T186 HydrophobicContact CG-CG2 4.11Å
187	I	97	Very high	88.1	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.4	175.2	-53	172.9	0	0	0	108.1	Y112 D113 M133 F141 M154 L160 I162 K166 V167 L169	Y112-I187 HydrophobicContact CD1-CG2 4.02Å; Y112-I187 HydrophobicContact CG-CG2 4.27Å; D113-I187 WeakPolarHBondContact O-CA 3.46Å; M133-I187 HydrophobicContact CE-CD1 3.83Å; M133-I187 HydrophobicContact CE-CG1 4.43Å; M133-I187 HydrophobicContact SD-CD1 3.86Å; M133-I187 HydrophobicContact SD-CG1 4.38Å; F141-I187 HydrophobicContact CE1-CD1 4.26Å; F141-I187 HydrophobicContact CZ-CD1 3.72Å; M154-I187 HydrophobicContact CE-CD1 4.36Å; M154-I187 HydrophobicContact CE-CG2 3.76Å; L160-I187 HydrophobicContact CD1-CG2 4.48Å; I162-I187 HydrophobicContact CD1-CB 4.41Å; I162-I187 HydrophobicContact CD1-CG2 3.83Å; K166-I187 WeakPolarHBondContact CA-O 3.29Å; V167-I187 PolarHBondContact N-O 2.81Å; V167-I187 PolarHBondContact O-N 2.61Å; L169-I187 HydrophobicContact CD1-CD1 3.98Å
188	K	96.5	Very high	89.7	Confident	113 Å²	113	60.4 Å²	60.4	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.8	176.9	-178.3	-177.4	175.1	-178.4	0	110.6	Y112 D113 K166	Y112-K188 CarbonylContact C-O 3.58Å; Y112-K188 WeakPolarHBondContact CA-O 3.38Å; Y112-K188 WeakPolarHBondContact CB-O 3.47Å; D113-K188 PolarHBondContact N-O 3.11Å; D113-K188 PolarHBondContact O-N 3.01Å; K166-K188 HydrophobicContact CB-CB 4.39Å
189	W	96.9	Very high	91.3	Very high	56 Å²	56	59 Å²	59	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.3	172.6	-178.7	83.4	0	0	0	111.2	H110 Y112 K164 S191 Q192	H110-W189 AromaticContact ND1-NE1 3.74Å; Y112-W189 HydrophobicContact CD1-CB 3.94Å; Y112-W189 HydrophobicContact CE1-CB 3.85Å; Y112-W189 AromaticContact CE1-CD1 3.74Å; Y112-W189 HydrophobicContact CE1-CG 4.22Å; Y112-W189 AromaticContact CZ-CD1 3.94Å; K164-W189 HydrophobicContact CB-CE3 4.3Å; K164-W189 HydrophobicContact CD-CE3 3.94Å; K164-W189 HydrophobicContact CD-CZ3 3.9Å; K164-W189 HydrophobicContact CG-CD2 4.22Å; K164-W189 HydrophobicContact CG-CE3 3.75Å; K164-W189 HydrophobicContact CG-CZ3 4.23Å; W189-S191 VanDerWaalsContact CZ2-C 3.48Å; W189-S191 PolarHBondContact NE1-O 2.93Å; W189-Q192 HydrophobicContact CZ2-CG 4.25Å
190	I	95.6	Very high	92.5	Very high	75 Å²	75	56.8 Å²	56.8	39%	0.385	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-59.5	177.4	-65.3	173.3	0	0	0	110.8	H111 D113	H111-I190 PolarHBondContact O-N 2.87Å; D113-I190 HydrophobicContact CB-CD1 3.61Å; D113-I190 HydrophobicContact CB-CG1 4.03Å
191	S	95.1	Very high	93.1	Very high	27 Å²	27	50.4 Å²	50.4	19%	0.189	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	170.1	-168.6	64.5	0	0	0	0	112.5	H111 W189	H111-S191 PolarHBondContact N-O 3.26Å; H111-S191 PolarHBondContact O-N 3.22Å; W189-S191 VanDerWaalsContact CZ2-C 3.48Å; W189-S191 PolarHBondContact NE1-O 2.93Å
192	Q	95.3	Very high	93.3	Very high	103 Å²	103	46.7 Å²	46.7	48%	0.481	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.3	161.5	-79	178.2	-55.5	0	0	109.2	F108 I109 H110 W189	F108-Q192 HydrophobicContact CB-CB 4.41Å; F108-Q192 HydrophobicContact CD1-CB 4.14Å; I109-Q192 CarbonylContact O-C 3.57Å; I109-Q192 WeakPolarHBondContact O-CA 3.32Å; H110-Q192 PolarHBondContact CE1-NE2 3.27Å; H110-Q192 VanDerWaalsContact CE1-NE2 3.31Å; W189-Q192 HydrophobicContact CZ2-CG 4.25Å
193	V	95.8	Very high	93.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121	176.5	179.5	0	0	0	0	108.5	F108 I109 H111 Y155 E212 S213	F108-V193 WeakPolarHBondContact CA-O 3.32Å; I109-V193 HydrophobicContact CD1-CB 4.03Å; I109-V193 HydrophobicContact CD1-CG1 4.2Å; I109-V193 HydrophobicContact CG1-CB 3.61Å; I109-V193 HydrophobicContact CG1-CG1 4.23Å; I109-V193 HydrophobicContact CG1-CG2 4.42Å; I109-V193 PolarHBondContact N-O 2.73Å; I109-V193 PolarHBondContact O-N 3.2Å; H111-V193 HydrophobicContact CB-CG2 4.21Å; Y155-V193 HydrophobicContact CE1-CG2 4.42Å; V193-E212 HydrophobicContact CG1-CB 4.39Å; V193-S213 WeakPolarHBondContact CG1-OG 3.17Å
194	S	94.4	Very high	92.8	Very high	17 Å²	17	45.3 Å²	45.3	12%	0.119	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123	180	-178.5	0	0	0	0	111.2	S196 L197 S213	S194-S196 PolarHBondContact OG-N 2.68Å; S194-L197 PolarHBondContact OG-N 3.05Å; S194-S213 PolarHBondContact O-OG 2.91Å
195	L	92.6	Very high	92.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	23%	0.228	C	C	.	.	S	Bend	trans	-82.8	-26.7	170.3	-60.2	-176.8	0	0	0	111.8	I104 P105 G107 I109 L197 L198 E199 I217	I104-L195 HydrophobicContact CG2-CB 4.07Å; I104-L195 HydrophobicContact CG2-CD1 3.86Å; I104-L195 HydrophobicContact CG2-CD2 4.35Å; I104-L195 HydrophobicContact CG2-CG 4.32Å; P105-L195 WeakPolarHBondContact O-CB 3.45Å; P105-L195 WeakPolarHBondContact O-CD1 3.27Å; G107-L195 PolarHBondContact O-N 3.44Å; I109-L195 HydrophobicContact CD1-CD2 4.24Å; I109-L195 HydrophobicContact CG2-CD1 3.83Å; I109-L195 HydrophobicContact CG2-CG 4.25Å; L195-L197 PolarHBondContact O-N 2.76Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.9Å; L195-L198 VanDerWaalsContact O-N 3.11Å; L195-E199 PolarHBondContact O-N 3.5Å; L195-I217 HydrophobicContact CD2-CD1 3.96Å; L195-I217 HydrophobicContact CD2-CG1 4.34Å
196	S	91.1	Very high	92	Very high	39 Å²	39	48.6 Å²	48.6	27%	0.273	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-39	175.2	-62.1	0	0	0	0	112.2	G107 S194 L198 E199 E200	G107-S196 PolarHBondContact N-OG 2.8Å; S194-S196 PolarHBondContact OG-N 2.68Å; S196-L198 PolarHBondContact O-N 2.8Å; S196-E199 WeakPolarHBondContact O-CB 3.47Å; S196-E199 PolarHBondContact O-N 2.92Å; S196-E199 VanDerWaalsContact O-N 3.15Å; S196-E200 WeakPolarHBondContact O-CG 3.42Å; S196-E200 PolarHBondContact O-N 2.83Å
197	L	90.1	Very high	91.3	Very high	78 Å²	78	52 Å²	52	41%	0.408	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-31.5	173.6	-70.7	178.4	0	0	0	112.6	S194 L195 A201 I206 P210	S194-L197 PolarHBondContact OG-N 3.05Å; L195-L197 PolarHBondContact O-N 2.76Å; L197-A201 PolarHBondContact O-N 3.37Å; L197-I206 VanDerWaalsContact O-CD1 3.3Å; L197-I206 WeakPolarHBondContact O-CD1 3.41Å; L197-P210 HydrophobicContact CB-CG 4.28Å
198	L	90	Very high	90.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-70.5	-39.1	176.8	-179	60.6	0	0	0	111	I104 L195 S196 A201 M202 V209 P210 V214 I217 M269	I104-L198 HydrophobicContact CD1-CD2 3.99Å; L195-L198 WeakPolarHBondContact O-CB 3.42Å; L195-L198 PolarHBondContact O-N 2.9Å; L195-L198 VanDerWaalsContact O-N 3.11Å; S196-L198 PolarHBondContact O-N 2.8Å; L198-A201 PolarHBondContact O-N 3.22Å; L198-M202 HydrophobicContact CG-CE 4.3Å; L198-M202 WeakPolarHBondContact O-CG 3.35Å; L198-M202 PolarHBondContact O-N 3.27Å; L198-M202 VanDerWaalsContact O-N 3.07Å; L198-V209 HydrophobicContact CD1-CG1 3.84Å; L198-P210 HydrophobicContact CB-CG 3.94Å; L198-P210 HydrophobicContact CD1-CG 4.06Å; L198-V214 HydrophobicContact CD1-CG2 3.77Å; L198-I217 HydrophobicContact CD2-CG1 4.37Å; L198-M269 HydrophobicContact CD1-SD 4.01Å; L198-M269 HydrophobicContact CD2-CE 4.46Å; L198-M269 HydrophobicContact CD2-CG 3.95Å; L198-M269 HydrophobicContact CD2-SD 3.97Å; L198-M269 HydrophobicContact CG-CG 4.42Å; L198-M269 HydrophobicContact CG-SD 4.21Å
199	E	88.7	Confident	90.4	Very high	85 Å²	85	52.5 Å²	52.5	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-47.2	174	-167.8	166.4	-147.5	0	0	111.4	L195 S196 A201 M202 E203	L195-E199 PolarHBondContact O-N 3.5Å; S196-E199 WeakPolarHBondContact O-CB 3.47Å; S196-E199 PolarHBondContact O-N 2.92Å; S196-E199 VanDerWaalsContact O-N 3.15Å; E199-A201 VanDerWaalsContact C-N 3.27Å; E199-A201 PolarHBondContact O-N 3.03Å; E199-M202 HydrophobicContact CB-CE 4.45Å; E199-M202 PolarHBondContact O-N 2.84Å; E199-M202 VanDerWaalsContact O-N 3.12Å; E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.9Å
200	E	89.7	Confident	90.1	Very high	57 Å²	57	51.1 Å²	51.1	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-37.1	174.3	-69.7	178.4	-161.7	0	0	113	S196 G204 R205 I206	S196-E200 WeakPolarHBondContact O-CG 3.42Å; S196-E200 PolarHBondContact O-N 2.83Å; E200-G204 PolarHBondContact O-N 3.22Å; E200-R205 HydrophobicContact CB-CB 4.38Å; E200-R205 WeakPolarHBondContact O-CB 3.47Å; E200-R205 PolarHBondContact O-N 3.48Å; E200-I206 HydrophobicContact CB-CD1 4.38Å; E200-I206 HydrophobicContact CB-CG1 4.24Å; E200-I206 PolarHBondContact O-N 3.2Å
201	A	89.2	Confident	89.7	Confident	1 Å²	1	55 Å²	55	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-39	177	0	0	0	0	0	112.4	L197 L198 E199 G204 I206 V209 P800	L197-A201 PolarHBondContact O-N 3.37Å; L198-A201 PolarHBondContact O-N 3.22Å; E199-A201 VanDerWaalsContact C-N 3.27Å; E199-A201 PolarHBondContact O-N 3.03Å; A201-G204 PolarHBondContact O-N 2.96Å; A201-G204 VanDerWaalsContact O-N 3.13Å; A201-I206 HydrophobicContact CB-CD1 3.92Å; A201-I206 HydrophobicContact CB-CG1 3.59Å; A201-V209 HydrophobicContact CB-CG2 4.43Å; A201-P800 WeakPolarHBondContact O-CB 3.46Å
202	M	89.2	Confident	89.6	Confident	13 Å²	13	59.5 Å²	59.5	6%	0.064	29%	0.293	C	S	.	.	H	α-helix	trans	-70.4	-35	179.1	-70	-176.2	-61.6	0	0	112.3	L198 E199 G204 P264 Q266 M269	L198-M202 HydrophobicContact CG-CE 4.3Å; L198-M202 WeakPolarHBondContact O-CG 3.35Å; L198-M202 PolarHBondContact O-N 3.27Å; L198-M202 VanDerWaalsContact O-N 3.07Å; E199-M202 HydrophobicContact CB-CE 4.45Å; E199-M202 PolarHBondContact O-N 2.84Å; E199-M202 VanDerWaalsContact O-N 3.12Å; M202-G204 PolarHBondContact O-N 3.08Å; M202-P264 HydrophobicContact CG-CB 4.5Å; M202-Q266 CarbonylContact O-C 3.43Å; M202-M269 HydrophobicContact CE-CG 4.03Å; M202-M269 HydrophobicContact SD-CB 4.13Å; M202-M269 HydrophobicContact SD-CG 3.43Å; M202-M269 WeakPolarHBondContact SD-CG 3.2Å; M202-M269 PolarHBondContact SD-N 3.47Å; M202-M269 HydrophobicContact SD-SD 3.61Å; M202-M269 VanDerWaalsContact SD-SD 3.61Å
203	E	87.7	Confident	89.5	Confident	95 Å²	95	54.8 Å²	54.8	44%	0.444	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.3	171.4	-67.6	174.2	177.3	0	0	112.9	E199 R205	E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.9Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 HydrophobicContact CB-CG 4.4Å; E203-R205 PolarHBondContact O-N 3.49Å; E203-R205 IonicContact OE1-NH2 3.78Å; E203-R205 IonicContact OE2-CZ 2.97Å; E203-R205 IonicContact OE2-NE 3.94Å; E203-R205 PolarHBondContact OE2-NE 2.81Å; E203-R205 IonicContact OE2-NH2 3.72Å; E203-R205 PolarHBondContact OE2-NH2 2.84Å
204	G	85.3	Confident	89.4	Confident	25 Å²	25	55.4 Å²	55.4	26%	0.258	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	9.2	179.8	0	0	0	0	0	114.7	E200 A201 M202 I206	E200-G204 PolarHBondContact O-N 3.22Å; A201-G204 PolarHBondContact O-N 2.96Å; A201-G204 VanDerWaalsContact O-N 3.13Å; M202-G204 PolarHBondContact O-N 3.08Å; G204-I206 VanDerWaalsContact C-N 3.34Å
205	R	87.1	Confident	89.4	Confident	152 Å²	152	57.3 Å²	57.3	57%	0.574	28%	0.282	S	S	*	.	S	Bend	trans	-64.7	-39.8	175.3	-70	-166.4	-89	157.1	-7.8	111.3	E200 E203	E200-R205 HydrophobicContact CB-CB 4.38Å; E200-R205 WeakPolarHBondContact O-CB 3.47Å; E200-R205 PolarHBondContact O-N 3.48Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 HydrophobicContact CB-CG 4.4Å; E203-R205 PolarHBondContact O-N 3.49Å; E203-R205 IonicContact OE1-NH2 3.78Å; E203-R205 IonicContact OE2-CZ 2.97Å; E203-R205 IonicContact OE2-NE 3.94Å; E203-R205 PolarHBondContact OE2-NE 2.81Å; E203-R205 IonicContact OE2-NH2 3.72Å; E203-R205 PolarHBondContact OE2-NH2 2.84Å
206	I	88.1	Confident	89.5	Confident	48 Å²	48	57.1 Å²	57.1	25%	0.246	28%	0.281	C	S	.	.	S	Bend	trans	-110.4	144.3	170.3	64.8	175.3	0	0	0	110.9	L197 E200 A201 G204	L197-I206 VanDerWaalsContact O-CD1 3.3Å; L197-I206 WeakPolarHBondContact O-CD1 3.41Å; E200-I206 HydrophobicContact CB-CD1 4.38Å; E200-I206 HydrophobicContact CB-CG1 4.24Å; E200-I206 PolarHBondContact O-N 3.2Å; A201-I206 HydrophobicContact CB-CD1 3.92Å; A201-I206 HydrophobicContact CB-CG1 3.59Å; G204-I206 VanDerWaalsContact C-N 3.34Å
207	R	82.5	Confident	89.7	Confident	99 Å²	99	55.3 Å²	55.3	37%	0.374	27%	0.268	S	S	.	.	S	Bend	trans	-75.4	-42.6	-175.6	-172.5	176.8	-178.1	164.1	-3	112.3	A80 T801	A80-R207 PolarHBondContact O-NH2 2.99Å; R207-T801 PolarHBondContact O-OG1 2.88Å
208	S	85.1	Confident	89.9	Confident	88 Å²	88	53.2 Å²	53.2	62%	0.615	26%	0.258	S	S	*	.	S	Bend	trans	-86.9	127.5	-175.3	55.2	0	0	0	0	111.2
209	V	88.1	Confident	90.2	Very high	36 Å²	36	53.7 Å²	53.7	22%	0.218	26%	0.26	C	S	.	.			trans	-75.5	126.6	171	-178	0	0	0	0	109.5	L198 A201 Y211 V214 P264 P800	L198-V209 HydrophobicContact CD1-CG1 3.84Å; A201-V209 HydrophobicContact CB-CG2 4.43Å; V209-Y211 PolarHBondContact O-N 3.19Å; V209-V214 HydrophobicContact CG1-CG2 3.65Å; V209-P264 HydrophobicContact CG1-CB 4.06Å; V209-P264 HydrophobicContact CG1-CG 4.02Å; V209-P264 HydrophobicContact CG2-CB 4.29Å; V209-P264 HydrophobicContact CG2-CG 4.22Å; V209-P800 HydrophobicContact CG2-CG 4.06Å
210	P	91.1	Very high	90.5	Very high	28 Å²	28	49.6 Å²	49.6	18%	0.182	24%	0.241	C	C	.	.			trans	-70.1	100.1	178.2	27.7	-32.9	0	0	0	110.4	L197 L198 E212 S213 V214	L197-P210 HydrophobicContact CB-CG 4.28Å; L198-P210 HydrophobicContact CB-CG 3.94Å; L198-P210 HydrophobicContact CD1-CG 4.06Å; P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 PolarHBondContact O-N 2.72Å; P210-S213 WeakPolarHBondContact O-CB 3.41Å; P210-S213 PolarHBondContact O-N 2.81Å; P210-S213 VanDerWaalsContact O-N 3.14Å; P210-V214 PolarHBondContact O-N 2.98Å; P210-V214 VanDerWaalsContact O-N 3.16Å
211	Y	88.5	Confident	90.7	Very high	157 Å²	157	47 Å²	47	62%	0.616	23%	0.229	S	C	*	.	H	α-helix	trans	-61.3	-34	-175.3	-178.4	-96.9	0	0	0	112.9	V209 S213 V214 Q215	V209-Y211 PolarHBondContact O-N 3.19Å; Y211-S213 VanDerWaalsContact C-N 3.34Å; Y211-S213 PolarHBondContact O-N 3.14Å; Y211-V214 PolarHBondContact O-N 3.07Å; Y211-Q215 HydrophobicContact CE1-CB 4.31Å; Y211-Q215 WeakPolarHBondContact O-CB 3.36Å; Y211-Q215 PolarHBondContact O-N 3.3Å
212	E	91.8	Very high	90.9	Very high	120 Å²	120	48.1 Å²	48.1	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-60.3	-43.7	175.6	-63.3	-175.6	174.2	0	0	111.6	V193 P210 Q215 A216	V193-E212 HydrophobicContact CG1-CB 4.39Å; P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 PolarHBondContact O-N 2.72Å; E212-Q215 PolarHBondContact O-N 3.13Å; E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 2.8Å
213	S	94.1	Very high	91.2	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.028	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-44.9	174.6	-47.6	0	0	0	0	111.2	V193 S194 P210 Y211 Q215 A216 I217	V193-S213 WeakPolarHBondContact CG1-OG 3.17Å; S194-S213 PolarHBondContact O-OG 2.91Å; P210-S213 WeakPolarHBondContact O-CB 3.41Å; P210-S213 PolarHBondContact O-N 2.81Å; P210-S213 VanDerWaalsContact O-N 3.14Å; Y211-S213 VanDerWaalsContact C-N 3.34Å; Y211-S213 PolarHBondContact O-N 3.14Å; S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 PolarHBondContact O-N 3.22Å; S213-A216 PolarHBondContact O-N 3.47Å; S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.41Å
214	V	93.3	Very high	91.5	Very high	17 Å²	17	44.9 Å²	44.9	10%	0.103	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-43.6	176.5	177.5	0	0	0	0	111.3	L198 V209 P210 Y211 I217 D218 M269	L198-V214 HydrophobicContact CD1-CG2 3.77Å; V209-V214 HydrophobicContact CG1-CG2 3.65Å; P210-V214 PolarHBondContact O-N 2.98Å; P210-V214 VanDerWaalsContact O-N 3.16Å; Y211-V214 PolarHBondContact O-N 3.07Å; V214-I217 PolarHBondContact O-N 2.95Å; V214-D218 WeakPolarHBondContact O-CB 3.48Å; V214-D218 PolarHBondContact O-N 2.8Å; V214-M269 HydrophobicContact CG1-CE 4.14Å; V214-M269 HydrophobicContact CG2-CE 4.15Å
215	Q	94	Very high	91.8	Very high	57 Å²	57	44 Å²	44	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-42.1	178	179.1	176.8	-5.4	0	0	111.4	Y211 E212 S213 D218 V219	Y211-Q215 HydrophobicContact CE1-CB 4.31Å; Y211-Q215 WeakPolarHBondContact O-CB 3.36Å; Y211-Q215 PolarHBondContact O-N 3.3Å; E212-Q215 PolarHBondContact O-N 3.13Å; S213-Q215 VanDerWaalsContact C-N 3.34Å; S213-Q215 PolarHBondContact O-N 3.22Å; Q215-D218 PolarHBondContact O-N 2.64Å; Q215-V219 WeakPolarHBondContact O-CG2 3.36Å; Q215-V219 PolarHBondContact O-N 3.3Å
216	A	95.7	Very high	92	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-44.2	178.6	0	0	0	0	0	111.8	I109 Y155 E212 S213 D218 V219 I220	I109-A216 HydrophobicContact CD1-CB 3.26Å; Y155-A216 HydrophobicContact CD1-CB 3.98Å; Y155-A216 HydrophobicContact CE1-CB 3.71Å; Y155-A216 HydrophobicContact CE2-CB 4.28Å; Y155-A216 HydrophobicContact CG-CB 4.36Å; E212-A216 WeakPolarHBondContact O-CB 3.45Å; E212-A216 PolarHBondContact O-N 2.8Å; S213-A216 PolarHBondContact O-N 3.47Å; A216-D218 VanDerWaalsContact C-N 3.33Å; A216-D218 PolarHBondContact O-N 2.86Å; A216-V219 PolarHBondContact O-N 3.17Å; A216-V219 VanDerWaalsContact O-N 3.15Å; A216-I220 VanDerWaalsContact O-CG1 3.29Å; A216-I220 WeakPolarHBondContact O-CG1 3.42Å; A216-I220 PolarHBondContact O-N 3.36Å
217	I	95	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-40.7	173.7	-59.6	-68.1	0	0	0	111.3	I104 L195 L198 S213 V214 V219 I220 L221 V262 I456	I104-I217 HydrophobicContact CD1-CD1 3.86Å; I104-I217 HydrophobicContact CD1-CG1 3.95Å; I104-I217 HydrophobicContact CD1-CG2 4.32Å; I104-I217 HydrophobicContact CG1-CD1 4.27Å; I104-I217 HydrophobicContact CG2-CD1 4.11Å; L195-I217 HydrophobicContact CD2-CD1 3.96Å; L195-I217 HydrophobicContact CD2-CG1 4.34Å; L198-I217 HydrophobicContact CD2-CG1 4.37Å; S213-I217 VanDerWaalsContact O-CG1 3.3Å; S213-I217 WeakPolarHBondContact O-CG1 3.49Å; S213-I217 PolarHBondContact O-N 3.41Å; V214-I217 PolarHBondContact O-N 2.95Å; I217-V219 VanDerWaalsContact C-N 3.34Å; I217-V219 PolarHBondContact O-N 3.39Å; I217-I220 HydrophobicContact CD1-CD1 4.26Å; I217-I220 PolarHBondContact O-N 2.61Å; I217-L221 HydrophobicContact CG2-CD1 4.09Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CG 3.37Å; I217-L221 PolarHBondContact O-N 2.86Å; I217-V262 HydrophobicContact CG2-CG1 3.83Å; I217-V262 HydrophobicContact CG2-CG2 4.32Å; I217-I456 HydrophobicContact CD1-CD1 3.47Å; I217-I456 VanDerWaalsContact CD1-CD1 3.47Å; I217-I456 HydrophobicContact CD1-CG1 4.41Å
218	D	94.1	Very high	92.4	Very high	35 Å²	35	40.9 Å²	40.9	19%	0.187	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-40.2	174.4	-174.3	76.8	0	0	0	111.7	V214 Q215 A216 R222 V262	V214-D218 WeakPolarHBondContact O-CB 3.48Å; V214-D218 PolarHBondContact O-N 2.8Å; Q215-D218 PolarHBondContact O-N 2.64Å; A216-D218 VanDerWaalsContact C-N 3.33Å; A216-D218 PolarHBondContact O-N 2.86Å; D218-R222 WeakPolarHBondContact O-CB 3.38Å; D218-R222 VanDerWaalsContact O-CD 3.3Å; D218-R222 WeakPolarHBondContact O-CD 3.4Å; D218-R222 WeakPolarHBondContact O-CG 3.49Å; D218-R222 PolarHBondContact O-N 3.2Å; D218-R222 VanDerWaalsContact O-N 3.13Å; D218-R222 IonicContact OD1-CZ 3.92Å; D218-R222 IonicContact OD1-NE 3.36Å; D218-R222 PolarHBondContact OD1-NE 3.05Å; D218-R222 IonicContact OD1-NH2 3.06Å; D218-R222 PolarHBondContact OD1-NH2 2.83Å; D218-R222 VanDerWaalsContact OD2-CD 3.24Å; D218-R222 WeakPolarHBondContact OD2-CD 3.49Å; D218-R222 IonicContact OD2-CZ 2.8Å; D218-R222 IonicContact OD2-NE 3.93Å; D218-R222 PolarHBondContact OD2-NE 2.73Å; D218-R222 IonicContact OD2-NH2 3.29Å; D218-V262 HydrophobicContact CB-CG2 4.05Å
219	V	96	Very high	92.7	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-66.5	-43.2	176.1	172.4	0	0	0	0	111.6	V147 D149 Y155 Q215 A216 I217 R222 H223	V147-V219 HydrophobicContact CB-CG1 4.38Å; V147-V219 HydrophobicContact CG2-CG1 4.09Å; D149-V219 HydrophobicContact CB-CG1 4.2Å; D149-V219 HydrophobicContact CB-CG2 3.77Å; Y155-V219 HydrophobicContact CD2-CB 4.16Å; Y155-V219 HydrophobicContact CD2-CG1 3.89Å; Y155-V219 HydrophobicContact CE2-CB 3.98Å; Y155-V219 HydrophobicContact CE2-CG1 4.02Å; Y155-V219 HydrophobicContact CE2-CG2 4.06Å; Q215-V219 WeakPolarHBondContact O-CG2 3.36Å; Q215-V219 PolarHBondContact O-N 3.3Å; A216-V219 PolarHBondContact O-N 3.17Å; A216-V219 VanDerWaalsContact O-N 3.15Å; I217-V219 VanDerWaalsContact C-N 3.34Å; I217-V219 PolarHBondContact O-N 3.39Å; V219-R222 PolarHBondContact O-N 2.89Å; V219-H223 PolarHBondContact O-N 3.08Å; V219-H223 VanDerWaalsContact O-N 3.11Å
220	I	95.4	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-57.2	177.6	-65.3	159.1	0	0	0	109.9	V147 A216 I217 R222 H223 F454 I456	V147-I220 HydrophobicContact CG1-CG2 4.48Å; V147-I220 HydrophobicContact CG2-CB 4.31Å; V147-I220 HydrophobicContact CG2-CG1 3.58Å; A216-I220 VanDerWaalsContact O-CG1 3.29Å; A216-I220 WeakPolarHBondContact O-CG1 3.42Å; A216-I220 PolarHBondContact O-N 3.36Å; I217-I220 HydrophobicContact CD1-CD1 4.26Å; I217-I220 PolarHBondContact O-N 2.61Å; I220-R222 PolarHBondContact O-N 3.12Å; I220-R222 VanDerWaalsContact O-N 3.15Å; I220-H223 WeakPolarHBondContact O-CB 3.17Å; I220-H223 PolarHBondContact O-N 3.25Å; I220-H223 VanDerWaalsContact O-N 3.14Å; I220-F454 HydrophobicContact CD1-CB 4.08Å; I220-F454 HydrophobicContact CD1-CD1 3.38Å; I220-F454 HydrophobicContact CD1-CD2 4.27Å; I220-F454 HydrophobicContact CD1-CE1 3.78Å; I220-F454 HydrophobicContact CD1-CG 3.64Å; I220-F454 HydrophobicContact CD1-CZ 4.38Å; I220-F454 HydrophobicContact CG1-CD1 4.02Å; I220-F454 HydrophobicContact CG1-CD2 4.15Å; I220-F454 HydrophobicContact CG1-CE1 4.08Å; I220-F454 HydrophobicContact CG1-CE2 4.23Å; I220-F454 HydrophobicContact CG1-CG 4.04Å; I220-F454 HydrophobicContact CG1-CZ 4.18Å; I220-F454 HydrophobicContact CG2-CB 4.34Å; I220-F454 HydrophobicContact CG2-CD2 4.04Å; I220-F454 HydrophobicContact CG2-CG 4.22Å; I220-I456 HydrophobicContact CB-CD1 4.31Å; I220-I456 HydrophobicContact CD1-CD1 3.78Å; I220-I456 HydrophobicContact CG2-CD1 3.92Å
221	L	93.9	Very high	92.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-68.7	-17.3	-174.8	-65.5	-177.1	0	0	0	113.7	V102 I217 Q260 V262 L271 A451 I456 I458	V102-L221 HydrophobicContact CG1-CD1 4.43Å; V102-L221 HydrophobicContact CG2-CD1 4.41Å; I217-L221 HydrophobicContact CG2-CD1 4.09Å; I217-L221 HydrophobicContact CG2-CG 4.44Å; I217-L221 WeakPolarHBondContact O-CG 3.37Å; I217-L221 PolarHBondContact O-N 2.86Å; L221-Q260 PolarHBondContact O-NE2 2.88Å; L221-V262 HydrophobicContact CD1-CG2 3.88Å; L221-L271 HydrophobicContact CD1-CD1 3.97Å; L221-A451 HydrophobicContact CD2-CB 4.09Å; L221-I456 HydrophobicContact CD2-CG2 3.98Å; L221-I458 HydrophobicContact CD1-CD1 4.29Å; L221-I458 HydrophobicContact CD2-CD1 3.68Å
222	R	94	Very high	93.1	Very high	26 Å²	26	34.9 Å²	34.9	10%	0.098	17%	0.17	C	C	.	.	H	α-helix	trans	-95.8	-10	177.4	-73.1	175.6	179.8	-116.2	6.4	113.8	D218 V219 I220 S226 R234 F236 Q260	D218-R222 WeakPolarHBondContact O-CB 3.38Å; D218-R222 VanDerWaalsContact O-CD 3.3Å; D218-R222 WeakPolarHBondContact O-CD 3.4Å; D218-R222 WeakPolarHBondContact O-CG 3.49Å; D218-R222 PolarHBondContact O-N 3.2Å; D218-R222 VanDerWaalsContact O-N 3.13Å; D218-R222 IonicContact OD1-CZ 3.92Å; D218-R222 IonicContact OD1-NE 3.36Å; D218-R222 PolarHBondContact OD1-NE 3.05Å; D218-R222 IonicContact OD1-NH2 3.06Å; D218-R222 PolarHBondContact OD1-NH2 2.83Å; D218-R222 VanDerWaalsContact OD2-CD 3.24Å; D218-R222 WeakPolarHBondContact OD2-CD 3.49Å; D218-R222 IonicContact OD2-CZ 2.8Å; D218-R222 IonicContact OD2-NE 3.93Å; D218-R222 PolarHBondContact OD2-NE 2.73Å; D218-R222 IonicContact OD2-NH2 3.29Å; V219-R222 PolarHBondContact O-N 2.89Å; I220-R222 PolarHBondContact O-N 3.12Å; I220-R222 VanDerWaalsContact O-N 3.15Å; R222-S226 WeakPolarHBondContact O-CB 3.3Å; R222-S226 PolarHBondContact O-N 3.37Å; R222-S226 PolarHBondContact O-OG 2.78Å; R222-R234 VanDerWaalsContact NH2-CG 3.28Å; R222-F236 HydrophobicContact CB-CZ 4.06Å; R222-F236 HydrophobicContact CG-CE2 4.24Å; R222-F236 HydrophobicContact CG-CZ 3.94Å; R222-Q260 PolarHBondContact NH2-O 2.91Å
223	H	94.9	Very high	93	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-57	-170.6	-171.4	71.6	0	0	0	111.4	V147 Y148 V219 I220 S226 L227 F450	V147-H223 HydrophobicContact CB-CB 3.91Å; V147-H223 HydrophobicContact CG1-CB 3.75Å; Y148-H223 PolarHBondContact N-CE1 3.26Å; Y148-H223 PolarHBondContact N-ND1 3.2Å; Y148-H223 PolarHBondContact O-ND1 2.56Å; V219-H223 PolarHBondContact O-N 3.08Å; V219-H223 VanDerWaalsContact O-N 3.11Å; I220-H223 WeakPolarHBondContact O-CB 3.17Å; I220-H223 PolarHBondContact O-N 3.25Å; I220-H223 VanDerWaalsContact O-N 3.14Å; H223-S226 PolarHBondContact O-N 3.24Å; H223-L227 WeakPolarHBondContact O-CG 3.21Å; H223-L227 PolarHBondContact O-N 3.03Å; H223-F450 AromaticContact CD2-CD1 3.51Å; H223-F450 AromaticContact CD2-CD2 3.87Å; H223-F450 AromaticContact CD2-CE1 3.41Å; H223-F450 VanDerWaalsContact CD2-CE1 3.41Å; H223-F450 WeakPolarHBondContact CD2-CE1 3.43Å; H223-F450 AromaticContact CD2-CE2 3.79Å; H223-F450 AromaticContact CD2-CG 3.73Å; H223-F450 AromaticContact CD2-CZ 3.56Å; H223-F450 AromaticContact NE2-CE1 3.58Å; H223-F450 AromaticContact NE2-CZ 3.75Å
224	L	93	Very high	92.8	Very high	31 Å²	31	37.6 Å²	37.6	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-47.6	179.4	179.6	68	0	0	0	113	S226 L227 R228 D448 F450	L224-S226 PolarHBondContact O-N 2.89Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-R228 HydrophobicContact CD1-CG 4.07Å; L224-R228 HydrophobicContact CG-CG 4.38Å; L224-R228 PolarHBondContact O-N 3.2Å; L224-D448 WeakPolarHBondContact CB-OD2 3.45Å; L224-D448 HydrophobicContact CD2-CB 4.19Å; L224-F450 HydrophobicContact CB-CD2 4.02Å; L224-F450 HydrophobicContact CB-CE2 4.38Å; L224-F450 HydrophobicContact CD1-CD2 4.47Å; L224-F450 HydrophobicContact CD1-CE2 4.15Å
225	P	91.6	Very high	92.8	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.045	19%	0.19	C	C	.	.	H	α-helix	trans	-56	-34.9	174	-28.8	35.3	0	0	0	113.7	L227 R228 Y229 F236 F258	P225-L227 VanDerWaalsContact C-N 3.27Å; P225-L227 PolarHBondContact O-N 3.06Å; P225-R228 PolarHBondContact O-N 3.44Å; P225-Y229 HydrophobicContact CB-CD2 4.08Å; P225-Y229 WeakPolarHBondContact O-CB 3.32Å; P225-Y229 WeakPolarHBondContact O-CD2 3.46Å; P225-Y229 PolarHBondContact O-N 3.09Å; P225-F236 HydrophobicContact CB-CD1 3.9Å; P225-F236 HydrophobicContact CB-CD2 3.85Å; P225-F236 HydrophobicContact CB-CE1 3.79Å; P225-F236 HydrophobicContact CB-CE2 3.71Å; P225-F236 HydrophobicContact CB-CG 3.93Å; P225-F236 HydrophobicContact CB-CZ 3.69Å; P225-F236 HydrophobicContact CG-CE2 4.49Å; P225-F258 HydrophobicContact CB-CZ 4.34Å
226	S	92.6	Very high	92.8	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-72.1	-19.7	179.2	-59.4	0	0	0	0	114.1	R127 R222 H223 L224 F236	R127-S226 VanDerWaalsContact CZ-CB 3.41Å; R222-S226 WeakPolarHBondContact O-CB 3.3Å; R222-S226 PolarHBondContact O-N 3.37Å; R222-S226 PolarHBondContact O-OG 2.78Å; H223-S226 PolarHBondContact O-N 3.24Å; L224-S226 PolarHBondContact O-N 2.89Å; S226-F236 WeakPolarHBondContact OG-CE1 3.47Å
227	L	90.6	Very high	92.7	Very high	66 Å²	66	35 Å²	35	35%	0.346	18%	0.179	S	C	.	.	H	α-helix	trans	-87.5	-36.5	173.5	-64.4	174.9	0	0	0	111.5	R127 H223 L224 P225	R127-L227 HydrophobicContact CB-CD2 3.86Å; H223-L227 WeakPolarHBondContact O-CG 3.21Å; H223-L227 PolarHBondContact O-N 3.03Å; L224-L227 PolarHBondContact O-N 3.32Å; P225-L227 VanDerWaalsContact C-N 3.27Å; P225-L227 PolarHBondContact O-N 3.06Å
228	R	88.4	Confident	92.4	Very high	156 Å²	156	37.3 Å²	37.3	59%	0.589	20%	0.196	S	C	*	.	H	α-helix	trans	-84.9	-35.6	-175	-66.9	179.7	72.8	178.9	3.8	114.1	L224 P225	L224-R228 HydrophobicContact CD1-CG 4.07Å; L224-R228 HydrophobicContact CG-CG 4.38Å; L224-R228 PolarHBondContact O-N 3.2Å; P225-R228 PolarHBondContact O-N 3.44Å
229	Y	90.6	Very high	92.1	Very high	66 Å²	66	39.6 Å²	39.6	26%	0.259	21%	0.213	S	C	.	.	S	Bend	trans	-115.9	171.9	-172.2	-56.2	-64	0	0	0	112.2	P225 P231 F236 F258	P225-Y229 HydrophobicContact CB-CD2 4.08Å; P225-Y229 WeakPolarHBondContact O-CB 3.32Å; P225-Y229 WeakPolarHBondContact O-CD2 3.46Å; P225-Y229 PolarHBondContact O-N 3.09Å; Y229-P231 WeakPolarHBondContact O-CD 3.3Å; Y229-F236 HydrophobicContact CD2-CB 4.05Å; Y229-F236 HydrophobicContact CG-CB 4.16Å; Y229-F258 AromaticContact CD2-CE1 3.98Å; Y229-F258 HydrophobicContact CD2-CE1 3.98Å; Y229-F258 HydrophobicContact CD2-CZ 4.05Å; Y229-F258 AromaticContact CE2-CE1 3.78Å; Y229-F258 HydrophobicContact CE2-CE1 3.78Å; Y229-F258 AromaticContact CE2-CZ 3.89Å; Y229-F258 HydrophobicContact CE2-CZ 3.89Å
230	T	91.6	Very high	91.5	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.1	171.7	-59.9	0	0	0	0	109.8	V232 F237 F280	T230-V232 HydrophobicContact CG2-CG2 4.49Å; T230-F237 WeakPolarHBondContact CB-O 3.4Å; T230-F237 PolarHBondContact N-O 3.39Å; T230-F237 PolarHBondContact O-N 3.49Å; T230-F280 HydrophobicContact CG2-CE1 4.13Å; T230-F280 HydrophobicContact CG2-CZ 4.33Å
231	P	93	Very high	90.5	Very high	64 Å²	64	43.1 Å²	43.1	42%	0.416	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.8	-178.3	-12.5	31.1	0	0	0	110.7	Y229 F236	Y229-P231 WeakPolarHBondContact O-CD 3.3Å; P231-F236 HydrophobicContact CB-CD1 4.16Å; P231-F236 HydrophobicContact CB-CE1 4.03Å; P231-F236 HydrophobicContact CG-CD1 4.34Å; P231-F236 HydrophobicContact CG-CE1 4.26Å
232	V	91.5	Very high	89	Confident	22 Å²	22	51.5 Å²	51.5	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	101.3	175.5	174.6	0	0	0	0	108.1	T230 R234 S235 F237 F280	T230-V232 HydrophobicContact CG2-CG2 4.49Å; V232-R234 PolarHBondContact O-N 3.38Å; V232-R234 VanDerWaalsContact O-N 3.16Å; V232-S235 PolarHBondContact N-O 3.1Å; V232-S235 PolarHBondContact O-N 3.38Å; V232-F237 HydrophobicContact CB-CD2 3.74Å; V232-F237 HydrophobicContact CB-CE2 3.66Å; V232-F237 HydrophobicContact CG1-CE2 4.11Å; V232-F237 HydrophobicContact CG2-CD2 3.74Å; V232-F237 HydrophobicContact CG2-CE2 4.1Å; V232-F280 HydrophobicContact CG2-CZ 3.99Å
233	G	89.6	Confident	87.1	Confident	55 Å²	55	59.7 Å²	59.7	57%	0.567	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-117.2	-175.3	0	0	0	0	0	111
234	R	90.8	Very high	85.3	Confident	126 Å²	126	62.1 Å²	62.1	48%	0.475	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.3	175.5	-64.4	-169.2	175.2	166.6	-1.9	114.7	R222 V232 H259 Q260	R222-R234 VanDerWaalsContact NH2-CG 3.28Å; V232-R234 PolarHBondContact O-N 3.38Å; V232-R234 VanDerWaalsContact O-N 3.16Å; R234-H259 VanDerWaalsContact CB-CE1 3.42Å; R234-H259 WeakPolarHBondContact CB-CE1 3.31Å; R234-H259 PolarHBondContact O-ND1 2.87Å; R234-Q260 PolarHBondContact O-N 3.04Å; R234-Q260 VanDerWaalsContact O-O 3.08Å
235	S	93.7	Very high	83.8	Confident	11 Å²	11	67.8 Å²	67.8	8%	0.077	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	159.4	-179.6	-50.3	0	0	0	0	112.4	V232 F258 H259	V232-S235 PolarHBondContact N-O 3.1Å; V232-S235 PolarHBondContact O-N 3.38Å; S235-F258 CarbonylContact C-O 3.56Å; S235-F258 WeakPolarHBondContact CA-O 3.4Å; S235-F258 VanDerWaalsContact CB-O 3.3Å; S235-F258 WeakPolarHBondContact CB-O 3.43Å; S235-H259 WeakPolarHBondContact OG-CA 3.41Å
236	F	93.1	Very high	83.3	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.009	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	179.2	-62.6	-74	0	0	0	109.1	R222 P225 S226 Y229 P231 G257 F258 Q260	R222-F236 HydrophobicContact CB-CZ 4.06Å; R222-F236 HydrophobicContact CG-CE2 4.24Å; R222-F236 HydrophobicContact CG-CZ 3.94Å; P225-F236 HydrophobicContact CB-CD1 3.9Å; P225-F236 HydrophobicContact CB-CD2 3.85Å; P225-F236 HydrophobicContact CB-CE1 3.79Å; P225-F236 HydrophobicContact CB-CE2 3.71Å; P225-F236 HydrophobicContact CB-CG 3.93Å; P225-F236 HydrophobicContact CB-CZ 3.69Å; P225-F236 HydrophobicContact CG-CE2 4.49Å; S226-F236 WeakPolarHBondContact OG-CE1 3.47Å; Y229-F236 HydrophobicContact CD2-CB 4.05Å; Y229-F236 HydrophobicContact CG-CB 4.16Å; P231-F236 HydrophobicContact CB-CD1 4.16Å; P231-F236 HydrophobicContact CB-CE1 4.03Å; P231-F236 HydrophobicContact CG-CD1 4.34Å; P231-F236 HydrophobicContact CG-CE1 4.26Å; F236-G257 CarbonylContact O-C 3.5Å; F236-G257 WeakPolarHBondContact O-CA 3.48Å; F236-F258 HydrophobicContact CB-CD1 4.3Å; F236-F258 HydrophobicContact CB-CE1 3.86Å; F236-F258 HydrophobicContact CB-CE2 4.29Å; F236-F258 HydrophobicContact CB-CZ 3.85Å; F236-F258 HydrophobicContact CD2-CD2 4.19Å; F236-F258 AromaticContact CD2-CE2 3.58Å; F236-F258 HydrophobicContact CD2-CE2 3.58Å; F236-F258 AromaticContact CD2-CZ 3.84Å; F236-F258 HydrophobicContact CD2-CZ 3.84Å; F236-F258 HydrophobicContact CE2-CE2 4.39Å; F236-F258 HydrophobicContact CG-CE2 4.32Å; F236-F258 HydrophobicContact CG-CZ 4.14Å; F236-F258 PolarHBondContact N-O 3.37Å; F236-F258 PolarHBondContact O-N 3.35Å; F236-Q260 HydrophobicContact CD2-CB 4.35Å; F236-Q260 HydrophobicContact CE2-CB 4.04Å
237	F	92.8	Very high	83.1	Confident	5 Å²	5	73.1 Å²	73.1	2%	0.022	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148	-175.8	-64.6	-85.8	0	0	0	111.8	T230 V232 W255 S276 T278 F280	T230-F237 WeakPolarHBondContact CB-O 3.4Å; T230-F237 PolarHBondContact N-O 3.39Å; T230-F237 PolarHBondContact O-N 3.49Å; V232-F237 HydrophobicContact CB-CD2 3.74Å; V232-F237 HydrophobicContact CB-CE2 3.66Å; V232-F237 HydrophobicContact CG1-CE2 4.11Å; V232-F237 HydrophobicContact CG2-CD2 3.74Å; V232-F237 HydrophobicContact CG2-CE2 4.1Å; F237-W255 HydrophobicContact CB-CB 4.37Å; F237-W255 HydrophobicContact CB-CE3 4.03Å; F237-W255 HydrophobicContact CD1-CB 4.38Å; F237-S276 WeakPolarHBondContact CZ-OG 3.48Å; F237-T278 HydrophobicContact CD1-CG2 3.93Å; F237-T278 HydrophobicContact CD2-CG2 4.15Å; F237-T278 HydrophobicContact CE1-CG2 3.57Å; F237-T278 HydrophobicContact CE2-CG2 3.79Å; F237-T278 HydrophobicContact CG-CG2 4.2Å; F237-T278 HydrophobicContact CZ-CG2 3.48Å; F237-T278 VanDerWaalsContact CZ-CG2 3.48Å; F237-F280 HydrophobicContact CB-CE2 3.88Å; F237-F280 HydrophobicContact CB-CZ 3.91Å; F237-F280 HydrophobicContact CD1-CE2 4.3Å; F237-F280 HydrophobicContact CD2-CE2 4.32Å; F237-F280 HydrophobicContact CD2-CZ 4.32Å; F237-F280 AromaticContact CG-CE2 3.92Å; F237-F280 HydrophobicContact CG-CE2 3.92Å; F237-F280 HydrophobicContact CG-CZ 4.18Å
238	S	89.4	Confident	83.2	Confident	50 Å²	50	70.6 Å²	70.6	35%	0.35	39%	0.389	S	S	.	.			trans	-122.9	150.2	174	55	0	0	0	0	110.7	F256	S238-F256 PolarHBondContact N-O 3.37Å
239	P	88.5	Confident	83.3	Confident	83 Å²	83	64.7 Å²	64.7	54%	0.539	38%	0.376	S	S	.	.			trans	-53.3	144	170.8	-17.7	25.6	0	0	0	111.4	W255	P239-W255 HydrophobicContact CB-CH2 4Å; P239-W255 HydrophobicContact CB-CZ2 3.77Å; P239-W255 HydrophobicContact CG-CH2 3.48Å; P239-W255 VanDerWaalsContact CG-CH2 3.48Å; P239-W255 HydrophobicContact CG-CZ2 3.79Å; P239-W255 HydrophobicContact CG-CZ3 3.96Å
240	P	82.9	Confident	83.4	Confident	34 Å²	34	62.1 Å²	62.1	22%	0.221	37%	0.37	C	S	.	.			trans	-61.6	142.7	169.4	27.9	-33.6	0	0	0	109	W255	P240-W255 VanDerWaalsContact CD-NE1 3.27Å
241	G	74.3	Confident	83.5	Confident	49 Å²	49	60.7 Å²	60.7	51%	0.505	36%	0.361	S	S	.	.			trans	-67	-168.4	164.7	0	0	0	0	0	111.1	Y243	G241-Y243 PolarHBondContact O-N 2.83Å
242	N	61.5	Low	83.6	Confident	178 Å²	178	57.8 Å²	57.8	95%	0.952	34%	0.342	S	S	*	.	S	Bend	trans	-68	20.2	-176.9	-69.5	-10.2	0	0	0	115.7
243	Y	55.6	Low	83.7	Confident	197 Å²	197	58 Å²	58	77%	0.773	34%	0.341	S	S	*	.			trans	-82.5	120	179.4	-68.9	-82.8	0	0	0	110.8	G241 D245	G241-Y243 PolarHBondContact O-N 2.83Å; Y243-D245 PolarHBondContact O-N 3.09Å; Y243-D245 VanDerWaalsContact O-N 3.16Å
244	G	55.8	Low	83.9	Confident	60 Å²	60	55.4 Å²	55.4	62%	0.619	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-64.5	-15.2	-173.3	0	0	0	0	0	116.6	S246	G244-S246 PolarHBondContact O-N 3.05Å
245	D	62.8	Low	84	Confident	150 Å²	150	49.8 Å²	49.8	80%	0.802	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-79.2	4.8	-174	-72.2	-21	0	0	0	114.9	Y243	Y243-D245 PolarHBondContact O-N 3.09Å; Y243-D245 VanDerWaalsContact O-N 3.16Å
246	S	79.9	Confident	83.8	Confident	14 Å²	14	53.1 Å²	53.1	10%	0.098	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-85.7	-14.1	-179	62.2	0	0	0	0	114	G244 E253 V254	G244-S246 PolarHBondContact O-N 3.05Å; S246-E253 CarbonylContact O-C 3.58Å; S246-E253 WeakPolarHBondContact O-CA 3.26Å; S246-E253 WeakPolarHBondContact O-CB 3.41Å; S246-V254 PolarHBondContact O-N 3.3Å
247	K	89.3	Confident	83.7	Confident	117 Å²	117	53.6 Å²	53.6	51%	0.509	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-72.3	129.9	-173.6	-65.3	-175.9	-177.3	-179.2	0	112
248	L	91.2	Very high	83.7	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.068	31%	0.313	C	S	.	.			trans	-100.3	-17.4	173.8	-65.3	175.9	0	0	0	112.6	R252 V254 A279 L413 Q417 T420 M421	L248-R252 HydrophobicContact CB-CB 4.07Å; L248-R252 HydrophobicContact CD1-CB 4.37Å; L248-R252 PolarHBondContact N-O 3.28Å; L248-V254 HydrophobicContact CD1-CG2 3.88Å; L248-V254 HydrophobicContact CD2-CG2 3.62Å; L248-V254 HydrophobicContact CG-CG2 3.75Å; L248-A279 HydrophobicContact CD1-CB 3.82Å; L248-L413 HydrophobicContact CD1-CD1 4.4Å; L248-Q417 HydrophobicContact CB-CG 4.19Å; L248-Q417 VanDerWaalsContact O-CG 3.26Å; L248-Q417 WeakPolarHBondContact O-CG 3.3Å; L248-T420 HydrophobicContact CD2-CG2 3.98Å; L248-M421 HydrophobicContact CD2-CB 3.95Å
249	G	90.5	Very high	83.9	Confident	31 Å²	31	51.9 Å²	51.9	32%	0.32	30%	0.298	S	S	.	.	S	Bend	trans	84.2	162.8	-169.7	0	0	0	0	0	112.6	G251 R252 Q417	G249-G251 VanDerWaalsContact C-N 3.33Å; G249-R252 PolarHBondContact O-N 3.22Å; G249-Q417 PolarHBondContact O-NE2 3.25Å
250	G	92.5	Very high	84.2	Confident	13 Å²	13	47.9 Å²	47.9	13%	0.134	27%	0.273	C	S	.	.	S	Bend	trans	64.9	33.7	-175.5	0	0	0	0	0	113.7	R252	G250-R252 VanDerWaalsContact C-N 3.32Å; G250-R252 PolarHBondContact O-N 3.49Å
251	G	93.6	Very high	84.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	74.7	18	179.8	0	0	0	0	0	114.8	G249 Y281 R282 E292	G249-G251 VanDerWaalsContact C-N 3.33Å; G251-Y281 WeakPolarHBondContact O-CA 3.39Å; G251-R282 PolarHBondContact O-N 3.17Å; G251-E292 VanDerWaalsContact CA-OE2 3.25Å; G251-E292 WeakPolarHBondContact CA-OE2 3.19Å; G251-E292 PolarHBondContact N-OE2 3.18Å
252	R	95.2	Very high	85.5	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.2	-173.7	-60.3	165.5	-168.5	-174.8	-2.6	111.4	L248 G249 G250 F280 Y281 E318 K412	L248-R252 HydrophobicContact CB-CB 4.07Å; L248-R252 HydrophobicContact CD1-CB 4.37Å; L248-R252 PolarHBondContact N-O 3.28Å; G249-R252 PolarHBondContact O-N 3.22Å; G250-R252 VanDerWaalsContact C-N 3.32Å; G250-R252 PolarHBondContact O-N 3.49Å; R252-F280 CarbonylContact C-O 3.56Å; R252-F280 WeakPolarHBondContact CA-O 3.48Å; R252-Y281 HydrophobicContact CG-CD1 4.23Å; R252-Y281 HydrophobicContact CG-CE1 4.22Å; R252-E318 IonicContact CZ-OE2 3.82Å; R252-E318 IonicContact NH2-OE1 3.18Å; R252-E318 PolarHBondContact NH2-OE1 3.19Å; R252-E318 IonicContact NH2-OE2 3.59Å; R252-E318 PolarHBondContact NH2-OE2 3.05Å; R252-K412 PolarHBondContact NH1-O 3.44Å
253	E	94.2	Very high	86.9	Confident	25 Å²	25	38.4 Å²	38.4	12%	0.117	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	163.3	174.5	63.5	-179.1	-179.2	0	0	111.8	S246 W255 A279 F280 R282	S246-E253 CarbonylContact O-C 3.58Å; S246-E253 WeakPolarHBondContact O-CA 3.26Å; S246-E253 WeakPolarHBondContact O-CB 3.41Å; E253-W255 PolarHBondContact OE1-NE1 2.68Å; E253-A279 CarbonylContact O-C 3.58Å; E253-A279 VanDerWaalsContact O-CA 3.31Å; E253-A279 WeakPolarHBondContact O-CA 3.24Å; E253-F280 PolarHBondContact N-O 2.93Å; E253-F280 PolarHBondContact O-N 3.42Å; E253-R282 HydrophobicContact CB-CG 3.66Å; E253-R282 VanDerWaalsContact CD-CG 3.49Å; E253-R282 HydrophobicContact CG-CG 3.55Å; E253-R282 WeakPolarHBondContact OE2-CG 3.28Å
254	V	93.6	Very high	88.6	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.9	174.7	-175.7	0	0	0	0	109.4	S246 L248 F256 A277 M421 T425	S246-V254 PolarHBondContact O-N 3.3Å; L248-V254 HydrophobicContact CD1-CG2 3.88Å; L248-V254 HydrophobicContact CD2-CG2 3.62Å; L248-V254 HydrophobicContact CG-CG2 3.75Å; V254-F256 HydrophobicContact CG1-CD2 4.33Å; V254-F256 HydrophobicContact CG1-CE2 3.95Å; V254-F256 HydrophobicContact CG1-CZ 4.1Å; V254-A277 HydrophobicContact CG1-CB 3.95Å; V254-M421 HydrophobicContact CG2-CG 4.47Å; V254-T425 HydrophobicContact CG1-CG2 4.18Å
255	W	92.6	Very high	90.4	Very high	8 Å²	8	27.5 Å²	27.5	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.7	164.3	-70.6	21.9	0	0	0	109.3	F237 P239 P240 E253 A277 T278 F280 G406	F237-W255 HydrophobicContact CB-CB 4.37Å; F237-W255 HydrophobicContact CB-CE3 4.03Å; F237-W255 HydrophobicContact CD1-CB 4.38Å; P239-W255 HydrophobicContact CB-CH2 4Å; P239-W255 HydrophobicContact CB-CZ2 3.77Å; P239-W255 HydrophobicContact CG-CH2 3.48Å; P239-W255 VanDerWaalsContact CG-CH2 3.48Å; P239-W255 HydrophobicContact CG-CZ2 3.79Å; P239-W255 HydrophobicContact CG-CZ3 3.96Å; P240-W255 VanDerWaalsContact CD-NE1 3.27Å; E253-W255 PolarHBondContact OE1-NE1 2.68Å; W255-A277 VanDerWaalsContact O-CA 3.3Å; W255-A277 WeakPolarHBondContact O-CA 3.41Å; W255-T278 PolarHBondContact N-O 3.38Å; W255-T278 PolarHBondContact O-N 3.18Å; W255-T278 VanDerWaalsContact O-N 3.09Å; W255-F280 HydrophobicContact CB-CD2 3.4Å; W255-F280 VanDerWaalsContact CB-CD2 3.4Å; W255-F280 HydrophobicContact CB-CE2 3.63Å; W255-F280 HydrophobicContact CB-CG 4.26Å; W255-F280 AromaticContact CD1-CD2 3.87Å; W255-F280 AromaticContact CD1-CG 3.9Å; W255-F280 HydrophobicContact CD2-CB 3.99Å; W255-F280 AromaticContact CD2-CD1 3.9Å; W255-F280 HydrophobicContact CD2-CD1 3.9Å; W255-F280 AromaticContact CD2-CD2 3.56Å; W255-F280 HydrophobicContact CD2-CD2 3.56Å; W255-F280 HydrophobicContact CD2-CE1 4.24Å; W255-F280 AromaticContact CD2-CE2 3.87Å; W255-F280 HydrophobicContact CD2-CE2 3.87Å; W255-F280 AromaticContact CD2-CG 3.55Å; W255-F280 HydrophobicContact CD2-CG 3.55Å; W255-F280 HydrophobicContact CD2-CZ 4.22Å; W255-F280 AromaticContact CE2-CG 3.84Å; W255-F280 AromaticContact CE3-CD1 3.93Å; W255-F280 HydrophobicContact CE3-CD1 3.93Å; W255-F280 AromaticContact CE3-CD2 3.96Å; W255-F280 HydrophobicContact CE3-CD2 3.96Å; W255-F280 AromaticContact CE3-CE1 3.83Å; W255-F280 HydrophobicContact CE3-CE1 3.83Å; W255-F280 AromaticContact CE3-CE2 3.79Å; W255-F280 HydrophobicContact CE3-CE2 3.79Å; W255-F280 HydrophobicContact CE3-CG 4.01Å; W255-F280 AromaticContact CE3-CZ 3.74Å; W255-F280 HydrophobicContact CE3-CZ 3.74Å; W255-F280 HydrophobicContact CG-CB 3.89Å; W255-F280 HydrophobicContact CG-CD1 4.44Å; W255-F280 AromaticContact CG-CD2 3.29Å; W255-F280 HydrophobicContact CG-CD2 3.29Å; W255-F280 AromaticContact CG-CE2 3.82Å; W255-F280 HydrophobicContact CG-CE2 3.82Å; W255-F280 AromaticContact CG-CG 3.64Å; W255-F280 HydrophobicContact CG-CG 3.64Å; W255-F280 HydrophobicContact CH2-CD1 4.43Å; W255-F280 HydrophobicContact CZ2-CD1 4.39Å; W255-F280 HydrophobicContact CZ3-CD1 4.2Å; W255-F280 HydrophobicContact CZ3-CE1 4.04Å; W255-F280 HydrophobicContact CZ3-CZ 4.32Å; W255-G406 VanDerWaalsContact CH2-CA 3.43Å
256	F	90.3	Very high	91.4	Very high	82 Å²	82	21.4 Å²	21.4	36%	0.36	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	155	171	-68.4	-89.2	0	0	0	110.2	S238 V254 A277 T425	S238-F256 PolarHBondContact N-O 3.37Å; V254-F256 HydrophobicContact CG1-CD2 4.33Å; V254-F256 HydrophobicContact CG1-CE2 3.95Å; V254-F256 HydrophobicContact CG1-CZ 4.1Å; F256-A277 HydrophobicContact CD1-CB 4Å; F256-A277 HydrophobicContact CE1-CB 4.1Å; F256-T425 HydrophobicContact CE1-CG2 4.07Å; F256-T425 HydrophobicContact CZ-CG2 4.29Å
257	G	91.3	Very high	91.2	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-163.6	-175.4	0	0	0	0	0	111.2	F236 S276	F236-G257 CarbonylContact O-C 3.5Å; F236-G257 WeakPolarHBondContact O-CA 3.48Å; G257-S276 CarbonylContact C-O 3.43Å; G257-S276 PolarHBondContact N-O 3.5Å; G257-S276 PolarHBondContact O-N 2.97Å; G257-S276 VanDerWaalsContact O-O 3.11Å
258	F	92.6	Very high	91.1	Very high	11 Å²	11	28.6 Å²	28.6	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	142.6	177.4	58.5	-78.5	0	0	0	111.8	P225 Y229 S235 F236 Q260 I273 D274 L439	P225-F258 HydrophobicContact CB-CZ 4.34Å; Y229-F258 AromaticContact CD2-CE1 3.98Å; Y229-F258 HydrophobicContact CD2-CE1 3.98Å; Y229-F258 HydrophobicContact CD2-CZ 4.05Å; Y229-F258 AromaticContact CE2-CE1 3.78Å; Y229-F258 HydrophobicContact CE2-CE1 3.78Å; Y229-F258 AromaticContact CE2-CZ 3.89Å; Y229-F258 HydrophobicContact CE2-CZ 3.89Å; S235-F258 CarbonylContact C-O 3.56Å; S235-F258 WeakPolarHBondContact CA-O 3.4Å; S235-F258 VanDerWaalsContact CB-O 3.3Å; S235-F258 WeakPolarHBondContact CB-O 3.43Å; F236-F258 HydrophobicContact CB-CD1 4.3Å; F236-F258 HydrophobicContact CB-CE1 3.86Å; F236-F258 HydrophobicContact CB-CE2 4.29Å; F236-F258 HydrophobicContact CB-CZ 3.85Å; F236-F258 HydrophobicContact CD2-CD2 4.19Å; F236-F258 AromaticContact CD2-CE2 3.58Å; F236-F258 HydrophobicContact CD2-CE2 3.58Å; F236-F258 AromaticContact CD2-CZ 3.84Å; F236-F258 HydrophobicContact CD2-CZ 3.84Å; F236-F258 HydrophobicContact CE2-CE2 4.39Å; F236-F258 HydrophobicContact CG-CE2 4.32Å; F236-F258 HydrophobicContact CG-CZ 4.14Å; F236-F258 PolarHBondContact N-O 3.37Å; F236-F258 PolarHBondContact O-N 3.35Å; F258-Q260 HydrophobicContact CD2-CB 4.26Å; F258-Q260 HydrophobicContact CE2-CB 4.31Å; F258-I273 HydrophobicContact CB-CG2 4.42Å; F258-I273 HydrophobicContact CD2-CD1 4.47Å; F258-D274 CarbonylContact C-O 3.37Å; F258-D274 VanDerWaalsContact CA-O 3.25Å; F258-D274 WeakPolarHBondContact CA-O 3.47Å; F258-L439 HydrophobicContact CB-CD1 3.6Å; F258-L439 HydrophobicContact CB-CD2 3.67Å; F258-L439 HydrophobicContact CB-CG 4.28Å; F258-L439 HydrophobicContact CD1-CD1 3.83Å; F258-L439 HydrophobicContact CD1-CD2 3.94Å; F258-L439 HydrophobicContact CD1-CG 4.29Å; F258-L439 HydrophobicContact CD2-CD2 4.06Å; F258-L439 HydrophobicContact CG-CD1 3.99Å; F258-L439 HydrophobicContact CG-CD2 3.63Å; F258-L439 HydrophobicContact CG-CG 4.37Å
259	H	94.2	Very high	91.1	Very high	8 Å²	8	28 Å²	28	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.6	161.5	174.4	82.4	0	0	0	109.7	R234 S235 S261 I273 D274 H769	R234-H259 VanDerWaalsContact CB-CE1 3.42Å; R234-H259 WeakPolarHBondContact CB-CE1 3.31Å; R234-H259 PolarHBondContact O-ND1 2.87Å; S235-H259 WeakPolarHBondContact OG-CA 3.41Å; H259-S261 PolarHBondContact NE2-OG 3.49Å; H259-I273 WeakPolarHBondContact O-CA 3.42Å; H259-D274 HydrophobicContact CB-CB 4.35Å; H259-D274 PolarHBondContact N-O 2.9Å; H259-D274 PolarHBondContact O-N 2.84Å; H259-D274 VanDerWaalsContact O-N 3.16Å; H259-H769 HydrophobicContact CB-CB 4.49Å; H259-H769 WeakPolarHBondContact CB-ND1 3.39Å; H259-H769 WeakPolarHBondContact CD2-CB 3.43Å; H259-H769 AromaticContact CD2-CD2 3.55Å; H259-H769 AromaticContact CD2-CG 3.21Å; H259-H769 AromaticContact CD2-ND1 3.71Å; H259-H769 AromaticContact CE1-CD2 3.29Å; H259-H769 PolarHBondContact CE1-CD2 3.13Å; H259-H769 AromaticContact CE1-CG 3.81Å; H259-H769 AromaticContact CE1-NE2 3.69Å; H259-H769 AromaticContact CG-CD2 3.47Å; H259-H769 VanDerWaalsContact CG-CD2 3.47Å; H259-H769 AromaticContact CG-CE1 3.5Å; H259-H769 VanDerWaalsContact CG-CE1 3.5Å; H259-H769 AromaticContact CG-CG 3.28Å; H259-H769 AromaticContact CG-ND1 3.32Å; H259-H769 VanDerWaalsContact CG-ND1 3.32Å; H259-H769 AromaticContact CG-NE2 3.64Å; H259-H769 AromaticContact ND1-CD2 3.35Å; H259-H769 PolarHBondContact ND1-CD2 2.83Å; H259-H769 AromaticContact ND1-CE1 3.59Å; H259-H769 AromaticContact ND1-CG 3.7Å; H259-H769 AromaticContact ND1-ND1 3.86Å; H259-H769 AromaticContact ND1-NE2 3.32Å; H259-H769 PolarHBondContact ND1-NE2 3.41Å; H259-H769 AromaticContact NE2-CD2 3.43Å; H259-H769 PolarHBondContact NE2-CD2 2.84Å; H259-H769 AromaticContact NE2-CG 3.55Å
260	Q	93.9	Very high	91.3	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132	173.6	179.5	-179.8	-38.3	0	0	109.3	L221 R222 R234 F236 F258 L271 N272 I273	L221-Q260 PolarHBondContact O-NE2 2.88Å; R222-Q260 PolarHBondContact NH2-O 2.91Å; R234-Q260 PolarHBondContact O-N 3.04Å; R234-Q260 VanDerWaalsContact O-O 3.08Å; F236-Q260 HydrophobicContact CD2-CB 4.35Å; F236-Q260 HydrophobicContact CE2-CB 4.04Å; F258-Q260 HydrophobicContact CD2-CB 4.26Å; F258-Q260 HydrophobicContact CE2-CB 4.31Å; Q260-L271 HydrophobicContact CG-CD1 3.62Å; Q260-N272 WeakPolarHBondContact CA-O 3.46Å; Q260-I273 HydrophobicContact CB-CD1 3.88Å; Q260-I273 HydrophobicContact CG-CD1 3.74Å
261	S	92.5	Very high	91.4	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	142.3	167.4	51.6	0	0	0	0	110.9	H259 N272	H259-S261 PolarHBondContact NE2-OG 3.49Å; S261-N272 PolarHBondContact N-O 3.06Å; S261-N272 PolarHBondContact O-N 3.42Å
262	V	92.7	Very high	91.5	Very high	13 Å²	13	26.5 Å²	26.5	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.3	173.3	-155.2	0	0	0	0	109	I217 D218 L221 M269 M270 L271	I217-V262 HydrophobicContact CG2-CG1 3.83Å; I217-V262 HydrophobicContact CG2-CG2 4.32Å; D218-V262 HydrophobicContact CB-CG2 4.05Å; L221-V262 HydrophobicContact CD1-CG2 3.88Å; V262-M269 HydrophobicContact CB-CE 4.23Å; V262-M269 HydrophobicContact CG1-CB 4.44Å; V262-M269 HydrophobicContact CG1-CE 3.41Å; V262-M269 VanDerWaalsContact CG1-CE 3.41Å; V262-M270 CarbonylContact C-O 3.48Å; V262-M270 WeakPolarHBondContact CA-O 3.37Å; V262-L271 HydrophobicContact CG2-CD1 4.18Å
263	R	91.2	Very high	91.5	Very high	45 Å²	45	26.3 Å²	26.3	17%	0.17	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	136.5	-177.7	-62.4	179.3	67.3	91.4	-7.3	110.7	M270 E730	R263-M270 PolarHBondContact N-O 3.27Å; R263-M270 PolarHBondContact O-N 3.43Å; R263-E730 IonicContact CZ-OE1 3.27Å; R263-E730 VanDerWaalsContact CZ-OE1 3.3Å; R263-E730 IonicContact CZ-OE2 2.93Å; R263-E730 IonicContact NH1-OE1 3.45Å; R263-E730 PolarHBondContact NH1-OE1 2.83Å; R263-E730 IonicContact NH1-OE2 3.26Å; R263-E730 PolarHBondContact NH1-OE2 3.3Å; R263-E730 IonicContact NH2-OE1 3.65Å; R263-E730 PolarHBondContact NH2-OE1 3.13Å; R263-E730 IonicContact NH2-OE2 3.94Å
264	P	91.7	Very high	91.5	Very high	27 Å²	27	25.2 Å²	25.2	18%	0.175	11%	0.112	C	C	.	.			trans	-68	145.2	167.9	32.6	-37.1	0	0	0	110.3	M202 V209 M269 P800	M202-P264 HydrophobicContact CG-CB 4.5Å; V209-P264 HydrophobicContact CG1-CB 4.06Å; V209-P264 HydrophobicContact CG1-CG 4.02Å; V209-P264 HydrophobicContact CG2-CB 4.29Å; V209-P264 HydrophobicContact CG2-CG 4.22Å; P264-M269 WeakPolarHBondContact CA-SD 3.28Å; P264-M269 HydrophobicContact CB-SD 3.85Å; P264-P800 HydrophobicContact CB-CG 4.46Å
265	S	91.8	Very high	91.5	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	12%	0.118	C	C	.	.			trans	-138.6	174.5	169.9	88.6	0	0	0	0	111.5	W267 K268 G796 T798	S265-W267 PolarHBondContact O-N 3.28Å; S265-K268 PolarHBondContact N-O 3.37Å; S265-K268 PolarHBondContact OG-O 3.07Å; S265-G796 VanDerWaalsContact CB-O 3.27Å; S265-G796 WeakPolarHBondContact CB-O 3.46Å; S265-G796 PolarHBondContact OG-O 2.92Å; S265-T798 WeakPolarHBondContact CA-O 3.42Å; S265-T798 WeakPolarHBondContact CB-O 3.4Å
266	Q	84.2	Confident	91.3	Very high	21 Å²	21	27.2 Å²	27.2	10%	0.098	13%	0.126	C	C	.	.	S	Bend	trans	-52.4	-8	179.5	-69.6	175.3	-13.8	0	0	116.9	R83 M202 D794 V795 T798 H799	R83-Q266 VanDerWaalsContact NE-NE2 3.13Å; M202-Q266 CarbonylContact O-C 3.43Å; Q266-D794 PolarHBondContact NE2-O 3Å; Q266-V795 VanDerWaalsContact OE1-CA 3.3Å; Q266-T798 PolarHBondContact N-O 3Å; Q266-T798 PolarHBondContact NE2-OG1 3.12Å; Q266-H799 WeakPolarHBondContact CG-O 3.25Å
267	W	76.2	Confident	91.4	Very high	188 Å²	188	24.5 Å²	24.5	71%	0.712	12%	0.119	S	C	*	.	S	Bend	trans	-139.3	-48.2	-178.4	-66.8	111.8	0	0	0	113	S265	S265-W267 PolarHBondContact O-N 3.28Å
268	K	86.3	Confident	91.5	Very high	95 Å²	95	25 Å²	25	41%	0.413	12%	0.12	S	C	.	.	S	Bend	trans	-147	162	-171	-66.6	-173.9	177.8	177.1	0	110.4	Q101 S265 M270	Q101-K268 HydrophobicContact CG-CB 3.94Å; Q101-K268 HydrophobicContact CG-CD 3.45Å; Q101-K268 VanDerWaalsContact CG-CD 3.45Å; Q101-K268 HydrophobicContact CG-CG 4.29Å; S265-K268 PolarHBondContact N-O 3.37Å; S265-K268 PolarHBondContact OG-O 3.07Å; K268-M270 PolarHBondContact O-N 3.32Å
269	M	92.4	Very high	91.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	138.6	170.7	-76	-57.2	-72.7	0	0	108.7	V102 I104 L198 M202 V214 V262 P264	V102-M269 HydrophobicContact CB-CB 4.01Å; V102-M269 WeakPolarHBondContact CB-O 3.42Å; V102-M269 PolarHBondContact N-O 3.06Å; I104-M269 HydrophobicContact CD1-CB 3.71Å; I104-M269 HydrophobicContact CD1-CG 3.28Å; I104-M269 HydrophobicContact CG1-CB 4.5Å; I104-M269 HydrophobicContact CG1-CG 4.46Å; L198-M269 HydrophobicContact CD1-SD 4.01Å; L198-M269 HydrophobicContact CD2-CE 4.46Å; L198-M269 HydrophobicContact CD2-CG 3.95Å; L198-M269 HydrophobicContact CD2-SD 3.97Å; L198-M269 HydrophobicContact CG-CG 4.42Å; L198-M269 HydrophobicContact CG-SD 4.21Å; M202-M269 HydrophobicContact CE-CG 4.03Å; M202-M269 HydrophobicContact SD-CB 4.13Å; M202-M269 HydrophobicContact SD-CG 3.43Å; M202-M269 WeakPolarHBondContact SD-CG 3.2Å; M202-M269 PolarHBondContact SD-N 3.47Å; M202-M269 HydrophobicContact SD-SD 3.61Å; M202-M269 VanDerWaalsContact SD-SD 3.61Å; V214-M269 HydrophobicContact CG1-CE 4.14Å; V214-M269 HydrophobicContact CG2-CE 4.15Å; V262-M269 HydrophobicContact CB-CE 4.23Å; V262-M269 HydrophobicContact CG1-CB 4.44Å; V262-M269 HydrophobicContact CG1-CE 3.41Å; V262-M269 VanDerWaalsContact CG1-CE 3.41Å; P264-M269 WeakPolarHBondContact CA-SD 3.28Å; P264-M269 HydrophobicContact CB-SD 3.85Å
270	M	94.6	Very high	91.6	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.049	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.7	-179.5	-65	-57.5	-135.4	0	0	110.5	H99 Q101 V262 R263 K268 T463 I797	H99-M270 HydrophobicContact CB-CB 4.18Å; H99-M270 HydrophobicContact CB-CE 4.16Å; H99-M270 HydrophobicContact CB-CG 4.35Å; H99-M270 HydrophobicContact CB-SD 4.33Å; Q101-M270 HydrophobicContact CB-SD 4.38Å; V262-M270 CarbonylContact C-O 3.48Å; V262-M270 WeakPolarHBondContact CA-O 3.37Å; R263-M270 PolarHBondContact N-O 3.27Å; R263-M270 PolarHBondContact O-N 3.43Å; K268-M270 PolarHBondContact O-N 3.32Å; M270-T463 HydrophobicContact CE-CG2 3.49Å; M270-T463 VanDerWaalsContact CE-CG2 3.49Å; M270-T463 WeakPolarHBondContact CE-OG1 3.42Å; M270-I797 HydrophobicContact CE-CG2 3.84Å
271	L	94.8	Very high	91.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.6	166.5	-175.2	66.8	0	0	0	108.2	H99 F100 V102 L221 Q260 V262 I273 F445 I458	H99-L271 WeakPolarHBondContact CA-O 3.26Å; F100-L271 HydrophobicContact CB-CB 4.27Å; F100-L271 WeakPolarHBondContact CD2-O 3.35Å; F100-L271 PolarHBondContact N-O 2.78Å; F100-L271 PolarHBondContact O-N 3.4Å; V102-L271 HydrophobicContact CG2-CB 3.69Å; L221-L271 HydrophobicContact CD1-CD1 3.97Å; Q260-L271 HydrophobicContact CG-CD1 3.62Å; V262-L271 HydrophobicContact CG2-CD1 4.18Å; L271-I273 HydrophobicContact CD1-CD1 4.23Å; L271-I273 HydrophobicContact CD2-CD1 3.93Å; L271-I273 HydrophobicContact CD2-CG1 4.09Å; L271-I273 HydrophobicContact CG-CD1 3.78Å; L271-I273 HydrophobicContact CG-CG1 3.95Å; L271-F445 HydrophobicContact CD2-CE1 4.26Å; L271-F445 HydrophobicContact CD2-CE2 4.19Å; L271-F445 HydrophobicContact CD2-CZ 4.03Å; L271-I458 HydrophobicContact CD2-CD1 3.68Å; L271-I458 HydrophobicContact CD2-CG1 4.31Å; L271-I458 HydrophobicContact CD2-CG2 4.12Å
272	N	95.4	Very high	91.8	Very high	3 Å²	3	26 Å²	26	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.8	174.8	176.1	-134.7	0	0	0	110.3	N98 H99 Q260 S261 H769	N98-N272 VanDerWaalsContact CG-ND2 3.34Å; N98-N272 PolarHBondContact ND2-ND2 2.8Å; N98-N272 WeakPolarHBondContact O-CA 3.34Å; N98-N272 PolarHBondContact O-ND2 3.33Å; N98-N272 PolarHBondContact OD1-ND2 3Å; N98-N272 VanDerWaalsContact OD1-ND2 3.11Å; H99-N272 PolarHBondContact CE1-ND2 2.97Å; Q260-N272 WeakPolarHBondContact CA-O 3.46Å; S261-N272 PolarHBondContact N-O 3.06Å; S261-N272 PolarHBondContact O-N 3.42Å; N272-H769 PolarHBondContact ND2-O 2.85Å; N272-H769 WeakPolarHBondContact OD1-CB 3.19Å
273	I	95.4	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.7	178.6	-57	-63.6	0	0	0	109.8	N98 F100 F258 H259 Q260 L271 I436 L439 V440 F445	N98-I273 VanDerWaalsContact CB-O 3.29Å; N98-I273 WeakPolarHBondContact CB-O 3.28Å; N98-I273 PolarHBondContact ND2-O 2.8Å; N98-I273 PolarHBondContact O-N 2.88Å; N98-I273 VanDerWaalsContact O-N 3.12Å; F100-I273 HydrophobicContact CD2-CB 4.07Å; F100-I273 HydrophobicContact CD2-CG1 3.92Å; F100-I273 HydrophobicContact CE2-CB 3.84Å; F100-I273 HydrophobicContact CE2-CG1 4.17Å; F258-I273 HydrophobicContact CB-CG2 4.42Å; F258-I273 HydrophobicContact CD2-CD1 4.47Å; H259-I273 WeakPolarHBondContact O-CA 3.42Å; Q260-I273 HydrophobicContact CB-CD1 3.88Å; Q260-I273 HydrophobicContact CG-CD1 3.74Å; L271-I273 HydrophobicContact CD1-CD1 4.23Å; L271-I273 HydrophobicContact CD2-CD1 3.93Å; L271-I273 HydrophobicContact CD2-CG1 4.09Å; L271-I273 HydrophobicContact CG-CD1 3.78Å; L271-I273 HydrophobicContact CG-CG1 3.95Å; I273-I436 HydrophobicContact CB-CG2 4.48Å; I273-I436 HydrophobicContact CG2-CG2 4.24Å; I273-L439 HydrophobicContact CG2-CD2 3.65Å; I273-V440 HydrophobicContact CB-CG2 4.2Å; I273-V440 HydrophobicContact CG1-CG2 4.15Å; I273-V440 HydrophobicContact CG2-CG2 4.04Å; I273-F445 HydrophobicContact CD1-CZ 4.17Å
274	D	94.9	Very high	92	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.5	175.1	-170.4	17.7	0	0	0	110.1	F258 H259 R432 H769 R771	F258-D274 CarbonylContact C-O 3.37Å; F258-D274 VanDerWaalsContact CA-O 3.25Å; F258-D274 WeakPolarHBondContact CA-O 3.47Å; H259-D274 HydrophobicContact CB-CB 4.35Å; H259-D274 PolarHBondContact N-O 2.9Å; H259-D274 PolarHBondContact O-N 2.84Å; H259-D274 VanDerWaalsContact O-N 3.16Å; D274-R432 IonicContact OD1-CZ 2.79Å; D274-R432 IonicContact OD1-NE 3.05Å; D274-R432 PolarHBondContact OD1-NE 2.87Å; D274-R432 IonicContact OD1-NH1 3.73Å; D274-R432 IonicContact OD1-NH2 2.68Å; D274-R432 PolarHBondContact OD1-NH2 2.83Å; D274-R432 IonicContact OD2-CZ 4Å; D274-R432 IonicContact OD2-NH1 2.7Å; D274-R432 IonicContact OD2-NH2 3.71Å; D274-R432 PolarHBondContact OD2-NH2 3Å; D274-H769 HydrophobicContact CB-CB 4.04Å; D274-H769 IonicContact OD2-ND1 3.82Å; D274-R771 IonicContact OD2-CZ 3.59Å; D274-R771 IonicContact OD2-NE 3.46Å; D274-R771 PolarHBondContact OD2-NE 3.22Å; D274-R771 IonicContact OD2-NH2 2.91Å; D274-R771 PolarHBondContact OD2-NH2 3.42Å
275	V	92.3	Very high	92.3	Very high	24 Å²	24	28 Å²	28	15%	0.145	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	138.8	171.7	-67.5	0	0	0	0	110.2	R432 E435 I436	V275-R432 HydrophobicContact CG2-CG 3.61Å; V275-R432 PolarHBondContact O-NH2 3.03Å; V275-E435 HydrophobicContact CG1-CB 3.95Å; V275-I436 HydrophobicContact CG1-CG1 3.92Å; V275-I436 HydrophobicContact CG2-CG1 4.38Å
276	S	89.7	Confident	92.6	Very high	27 Å²	27	27.9 Å²	27.9	19%	0.189	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.1	-176.4	-168.8	0	0	0	0	110.1	F237 G257	F237-S276 WeakPolarHBondContact CZ-OG 3.48Å; G257-S276 CarbonylContact C-O 3.43Å; G257-S276 PolarHBondContact N-O 3.5Å; G257-S276 PolarHBondContact O-N 2.97Å; G257-S276 VanDerWaalsContact O-O 3.11Å
277	A	91.4	Very high	93.2	Very high	26 Å²	26	27.4 Å²	27.4	22%	0.215	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.8	175.4	0	0	0	0	0	109.3	V254 W255 F256 M421 T425	V254-A277 HydrophobicContact CG1-CB 3.95Å; W255-A277 VanDerWaalsContact O-CA 3.3Å; W255-A277 WeakPolarHBondContact O-CA 3.41Å; F256-A277 HydrophobicContact CD1-CB 4Å; F256-A277 HydrophobicContact CE1-CB 4.1Å; A277-M421 WeakPolarHBondContact O-CE 3.36Å; A277-T425 HydrophobicContact CB-CG2 3.36Å
278	T	93.1	Very high	94.1	Very high	20 Å²	20	22.3 Å²	22.3	12%	0.123	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.7	176.1	-171.3	0	0	0	0	110.5	F237 W255 F280	F237-T278 HydrophobicContact CD1-CG2 3.93Å; F237-T278 HydrophobicContact CD2-CG2 4.15Å; F237-T278 HydrophobicContact CE1-CG2 3.57Å; F237-T278 HydrophobicContact CE2-CG2 3.79Å; F237-T278 HydrophobicContact CG-CG2 4.2Å; F237-T278 HydrophobicContact CZ-CG2 3.48Å; F237-T278 VanDerWaalsContact CZ-CG2 3.48Å; W255-T278 PolarHBondContact N-O 3.38Å; W255-T278 PolarHBondContact O-N 3.18Å; W255-T278 VanDerWaalsContact O-N 3.09Å; T278-F280 HydrophobicContact CG2-CD2 3.79Å; T278-F280 HydrophobicContact CG2-CE2 3.27Å; T278-F280 HydrophobicContact CG2-CZ 4.19Å
279	A	94.4	Very high	94.7	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.033	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137	176.5	0	0	0	0	0	111.5	L248 E253 C409 L413	L248-A279 HydrophobicContact CD1-CB 3.82Å; E253-A279 CarbonylContact O-C 3.58Å; E253-A279 VanDerWaalsContact O-CA 3.31Å; E253-A279 WeakPolarHBondContact O-CA 3.24Å; A279-C409 HydrophobicContact CB-CB 3.84Å; A279-C409 PolarHBondContact O-N 2.87Å; A279-L413 HydrophobicContact CB-CD1 4.29Å; A279-L413 HydrophobicContact CB-CD2 3.9Å
280	F	95.4	Very high	94.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	157.9	170.4	-80.2	-102.8	0	0	0	109.7	T230 V232 F237 R252 E253 W255 T278 G406 Q407 R408	T230-F280 HydrophobicContact CG2-CE1 4.13Å; T230-F280 HydrophobicContact CG2-CZ 4.33Å; V232-F280 HydrophobicContact CG2-CZ 3.99Å; F237-F280 HydrophobicContact CB-CE2 3.88Å; F237-F280 HydrophobicContact CB-CZ 3.91Å; F237-F280 HydrophobicContact CD1-CE2 4.3Å; F237-F280 HydrophobicContact CD2-CE2 4.32Å; F237-F280 HydrophobicContact CD2-CZ 4.32Å; F237-F280 AromaticContact CG-CE2 3.92Å; F237-F280 HydrophobicContact CG-CE2 3.92Å; F237-F280 HydrophobicContact CG-CZ 4.18Å; R252-F280 CarbonylContact C-O 3.56Å; R252-F280 WeakPolarHBondContact CA-O 3.48Å; E253-F280 PolarHBondContact N-O 2.93Å; E253-F280 PolarHBondContact O-N 3.42Å; W255-F280 HydrophobicContact CB-CD2 3.4Å; W255-F280 VanDerWaalsContact CB-CD2 3.4Å; W255-F280 HydrophobicContact CB-CE2 3.63Å; W255-F280 HydrophobicContact CB-CG 4.26Å; W255-F280 AromaticContact CD1-CD2 3.87Å; W255-F280 AromaticContact CD1-CG 3.9Å; W255-F280 HydrophobicContact CD2-CB 3.99Å; W255-F280 AromaticContact CD2-CD1 3.9Å; W255-F280 HydrophobicContact CD2-CD1 3.9Å; W255-F280 AromaticContact CD2-CD2 3.56Å; W255-F280 HydrophobicContact CD2-CD2 3.56Å; W255-F280 HydrophobicContact CD2-CE1 4.24Å; W255-F280 AromaticContact CD2-CE2 3.87Å; W255-F280 HydrophobicContact CD2-CE2 3.87Å; W255-F280 AromaticContact CD2-CG 3.55Å; W255-F280 HydrophobicContact CD2-CG 3.55Å; W255-F280 HydrophobicContact CD2-CZ 4.22Å; W255-F280 AromaticContact CE2-CG 3.84Å; W255-F280 AromaticContact CE3-CD1 3.93Å; W255-F280 HydrophobicContact CE3-CD1 3.93Å; W255-F280 AromaticContact CE3-CD2 3.96Å; W255-F280 HydrophobicContact CE3-CD2 3.96Å; W255-F280 AromaticContact CE3-CE1 3.83Å; W255-F280 HydrophobicContact CE3-CE1 3.83Å; W255-F280 AromaticContact CE3-CE2 3.79Å; W255-F280 HydrophobicContact CE3-CE2 3.79Å; W255-F280 HydrophobicContact CE3-CG 4.01Å; W255-F280 AromaticContact CE3-CZ 3.74Å; W255-F280 HydrophobicContact CE3-CZ 3.74Å; W255-F280 HydrophobicContact CG-CB 3.89Å; W255-F280 HydrophobicContact CG-CD1 4.44Å; W255-F280 AromaticContact CG-CD2 3.29Å; W255-F280 HydrophobicContact CG-CD2 3.29Å; W255-F280 AromaticContact CG-CE2 3.82Å; W255-F280 HydrophobicContact CG-CE2 3.82Å; W255-F280 AromaticContact CG-CG 3.64Å; W255-F280 HydrophobicContact CG-CG 3.64Å; W255-F280 HydrophobicContact CH2-CD1 4.43Å; W255-F280 HydrophobicContact CZ2-CD1 4.39Å; W255-F280 HydrophobicContact CZ3-CD1 4.2Å; W255-F280 HydrophobicContact CZ3-CE1 4.04Å; W255-F280 HydrophobicContact CZ3-CZ 4.32Å; T278-F280 HydrophobicContact CG2-CD2 3.79Å; T278-F280 HydrophobicContact CG2-CE2 3.27Å; T278-F280 HydrophobicContact CG2-CZ 4.19Å; F280-G406 WeakPolarHBondContact CE1-O 3.41Å; F280-Q407 WeakPolarHBondContact CA-O 3.48Å; F280-Q407 VanDerWaalsContact CD1-C 3.4Å; F280-Q407 WeakPolarHBondContact CD1-O 3.48Å; F280-R408 HydrophobicContact CD1-CB 4.3Å; F280-R408 HydrophobicContact CE1-CB 4.01Å; F280-R408 HydrophobicContact CZ-CB 4.29Å
281	Y	95.7	Very high	94.9	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.9	167.9	-67	-78.3	0	0	0	109.7	G251 R252 F289 L322 Q407 C409	G251-Y281 WeakPolarHBondContact O-CA 3.39Å; R252-Y281 HydrophobicContact CG-CD1 4.23Å; R252-Y281 HydrophobicContact CG-CE1 4.22Å; Y281-F289 AromaticContact CD1-CE2 3.96Å; Y281-F289 HydrophobicContact CD1-CE2 3.96Å; Y281-F289 HydrophobicContact CD1-CZ 4.45Å; Y281-F289 HydrophobicContact CE1-CE2 4.28Å; Y281-F289 HydrophobicContact CE1-CZ 4.39Å; Y281-L322 HydrophobicContact CD1-CD1 3.88Å; Y281-L322 HydrophobicContact CD2-CD1 4.28Å; Y281-L322 HydrophobicContact CD2-CD2 3.63Å; Y281-L322 HydrophobicContact CE1-CD1 3.81Å; Y281-L322 HydrophobicContact CE1-CD2 4.31Å; Y281-L322 HydrophobicContact CE2-CD1 4.23Å; Y281-L322 HydrophobicContact CE2-CD2 3.27Å; Y281-L322 HydrophobicContact CE2-CG 4.39Å; Y281-L322 HydrophobicContact CG-CD1 4.1Å; Y281-L322 HydrophobicContact CG-CD2 4.28Å; Y281-Q407 HydrophobicContact CD2-CB 4.2Å; Y281-Q407 WeakPolarHBondContact CD2-O 3.17Å; Y281-Q407 PolarHBondContact N-O 3.27Å; Y281-C409 HydrophobicContact CD2-CB 4.33Å; Y281-C409 HydrophobicContact CE2-CB 3.93Å
282	R	94.5	Very high	94.9	Very high	39 Å²	39	19.9 Å²	19.9	15%	0.147	12%	0.115	C	C	.	.			trans	-67.3	141.9	177.7	-73.4	-179.7	63.5	-147.1	-14.4	110.2	G251 E253 M284 E292 I403	G251-R282 PolarHBondContact O-N 3.17Å; E253-R282 HydrophobicContact CB-CG 3.66Å; E253-R282 VanDerWaalsContact CD-CG 3.49Å; E253-R282 HydrophobicContact CG-CG 3.55Å; E253-R282 WeakPolarHBondContact OE2-CG 3.28Å; R282-M284 HydrophobicContact CB-CG 4.36Å; R282-M284 HydrophobicContact CB-SD 3.81Å; R282-M284 PolarHBondContact O-N 2.84Å; R282-E292 IonicContact CZ-OE1 3.92Å; R282-E292 IonicContact NH1-OE1 3.8Å; R282-E292 PolarHBondContact NH1-OE1 2.83Å; R282-E292 IonicContact NH1-OE2 3.09Å; R282-I403 WeakPolarHBondContact O-CG2 3.37Å
283	S	93.6	Very high	94.9	Very high	69 Å²	69	20.1 Å²	20.1	48%	0.483	12%	0.116	S	C	.	.			trans	-75	107.7	166.8	-169.6	0	0	0	0	108.4	I403	S283-I403 WeakPolarHBondContact CA-O 3.06Å; S283-I403 PolarHBondContact OG-O 2.94Å
284	M	94.8	Very high	94.8	Very high	7 Å²	7	21 Å²	21	3%	0.034	12%	0.121	C	C	.	.			trans	-158.6	159.8	-174.6	63.4	-167	-61.6	0	0	111.4	R282 E288 F289 E292 N402 I403	R282-M284 HydrophobicContact CB-CG 4.36Å; R282-M284 HydrophobicContact CB-SD 3.81Å; R282-M284 PolarHBondContact O-N 2.84Å; M284-E288 VanDerWaalsContact CE-C 3.45Å; M284-E288 HydrophobicContact CE-CB 3.32Å; M284-F289 HydrophobicContact CE-CB 4.43Å; M284-F289 HydrophobicContact CG-CB 4.16Å; M284-F289 HydrophobicContact SD-CB 4.15Å; M284-F289 HydrophobicContact SD-CD2 4.32Å; M284-E292 HydrophobicContact CE-CG 4.28Å; M284-E292 WeakPolarHBondContact CE-OE1 3.06Å; M284-N402 CarbonylContact O-C 3.55Å; M284-N402 WeakPolarHBondContact O-CA 3.39Å; M284-I403 HydrophobicContact CG-CG1 4.48Å; M284-I403 PolarHBondContact O-N 3.44Å
285	P	97.2	Very high	94.7	Very high	49 Å²	49	27.3 Å²	27.3	32%	0.318	16%	0.155	S	C	.	.	B	Isolated β-bridge	trans	-55.7	141.7	169.9	-24.8	35.1	0	0	0	111.8	I287 E288 F289 N402	P285-I287 PolarHBondContact O-N 2.89Å; P285-E288 HydrophobicContact CB-CG 4.36Å; P285-E288 HydrophobicContact CG-CG 4.42Å; P285-E288 PolarHBondContact O-N 2.82Å; P285-E288 VanDerWaalsContact O-N 3.12Å; P285-F289 PolarHBondContact O-N 2.85Å; P285-N402 WeakPolarHBondContact CA-OD1 3.06Å
286	V	98	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-27.7	-179.4	177.3	0	0	0	0	111.6	F289 L290 F315 I319 L385 P398 C401 I403	V286-F289 PolarHBondContact O-N 2.9Å; V286-L290 WeakPolarHBondContact O-CB 3.15Å; V286-L290 PolarHBondContact O-N 2.86Å; V286-F315 HydrophobicContact CG1-CE2 4.46Å; V286-F315 HydrophobicContact CG1-CZ 3.95Å; V286-I319 HydrophobicContact CG1-CD1 3.52Å; V286-I319 HydrophobicContact CG2-CD1 4.4Å; V286-L385 HydrophobicContact CG1-CD1 4.15Å; V286-L385 HydrophobicContact CG1-CD2 4.47Å; V286-L385 HydrophobicContact CG2-CD1 4.25Å; V286-P398 HydrophobicContact CB-CB 4.29Å; V286-P398 HydrophobicContact CG1-CB 3.95Å; V286-C401 HydrophobicContact CB-CB 4.17Å; V286-C401 HydrophobicContact CG2-CB 3.56Å; V286-C401 WeakPolarHBondContact CG2-O 3.12Å; V286-C401 PolarHBondContact N-O 2.98Å; V286-I403 HydrophobicContact CG2-CD1 3.85Å; V286-I403 HydrophobicContact CG2-CG1 4.21Å
287	I	97.1	Very high	94.7	Very high	11 Å²	11	31 Å²	31	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-45.9	172.7	-66	-68.4	0	0	0	111.7	P285 F289 L290 A291 V298 L301 Y379 L382 P398 E399	P285-I287 PolarHBondContact O-N 2.89Å; I287-F289 VanDerWaalsContact C-N 3.33Å; I287-L290 WeakPolarHBondContact O-CB 3.39Å; I287-L290 PolarHBondContact O-N 2.94Å; I287-A291 PolarHBondContact O-N 2.86Å; I287-A291 VanDerWaalsContact O-N 3.09Å; I287-V298 HydrophobicContact CG2-CG1 4.14Å; I287-L301 HydrophobicContact CG2-CD1 4.08Å; I287-L301 WeakPolarHBondContact O-CD1 3.38Å; I287-Y379 HydrophobicContact CD1-CD2 3.7Å; I287-Y379 HydrophobicContact CD1-CE2 4.13Å; I287-Y379 HydrophobicContact CD1-CG 4.09Å; I287-Y379 HydrophobicContact CG1-CD2 4.12Å; I287-Y379 HydrophobicContact CG1-CE2 4.13Å; I287-Y379 HydrophobicContact CG2-CE2 4.12Å; I287-L382 HydrophobicContact CD1-CD1 3.67Å; I287-P398 HydrophobicContact CD1-CB 3.82Å; I287-P398 HydrophobicContact CG1-CB 4.37Å; I287-E399 HydrophobicContact CD1-CB 4.27Å; I287-E399 HydrophobicContact CG1-CB 3.96Å
288	E	96	Very high	94.6	Very high	80 Å²	80	32 Å²	32	37%	0.374	18%	0.179	S	C	.	.	H	α-helix	trans	-67.1	-37.6	175.9	-66.8	179.7	-157.8	0	0	111.2	M284 P285 L290 A291 E292 V298	M284-E288 VanDerWaalsContact CE-C 3.45Å; M284-E288 HydrophobicContact CE-CB 3.32Å; P285-E288 HydrophobicContact CB-CG 4.36Å; P285-E288 HydrophobicContact CG-CG 4.42Å; P285-E288 PolarHBondContact O-N 2.82Å; P285-E288 VanDerWaalsContact O-N 3.12Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.05Å; E288-A291 WeakPolarHBondContact O-CB 3.4Å; E288-A291 PolarHBondContact O-N 2.96Å; E288-E292 PolarHBondContact O-N 3.49Å; E288-V298 HydrophobicContact CG-CG2 4.24Å
289	F	97.4	Very high	94.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-41.8	176.9	177.8	-97	0	0	0	111.2	Y281 M284 P285 V286 I287 E292 V293 F315 E318 I319 L322 I403	Y281-F289 AromaticContact CD1-CE2 3.96Å; Y281-F289 HydrophobicContact CD1-CE2 3.96Å; Y281-F289 HydrophobicContact CD1-CZ 4.45Å; Y281-F289 HydrophobicContact CE1-CE2 4.28Å; Y281-F289 HydrophobicContact CE1-CZ 4.39Å; M284-F289 HydrophobicContact CE-CB 4.43Å; M284-F289 HydrophobicContact CG-CB 4.16Å; M284-F289 HydrophobicContact SD-CB 4.15Å; M284-F289 HydrophobicContact SD-CD2 4.32Å; P285-F289 PolarHBondContact O-N 2.85Å; V286-F289 PolarHBondContact O-N 2.9Å; I287-F289 VanDerWaalsContact C-N 3.33Å; F289-E292 PolarHBondContact O-N 2.81Å; F289-V293 HydrophobicContact CD1-CG2 4.24Å; F289-V293 HydrophobicContact CE1-CG2 3.76Å; F289-V293 HydrophobicContact CE2-CG2 4.11Å; F289-V293 HydrophobicContact CZ-CG2 3.68Å; F289-V293 WeakPolarHBondContact O-CB 3.4Å; F289-V293 VanDerWaalsContact O-CG2 3.31Å; F289-V293 WeakPolarHBondContact O-CG2 3.4Å; F289-V293 PolarHBondContact O-N 3.44Å; F289-F315 AromaticContact CD1-CE2 3.88Å; F289-F315 HydrophobicContact CD1-CE2 3.88Å; F289-F315 HydrophobicContact CE1-CD2 4.47Å; F289-F315 HydrophobicContact CE1-CE2 4.08Å; F289-E318 HydrophobicContact CE1-CB 4.44Å; F289-E318 HydrophobicContact CZ-CB 4.27Å; F289-I319 HydrophobicContact CD1-CD1 4.28Å; F289-I319 HydrophobicContact CE1-CB 4.02Å; F289-I319 HydrophobicContact CE1-CD1 4.38Å; F289-I319 HydrophobicContact CE1-CG1 4.25Å; F289-L322 HydrophobicContact CZ-CD1 4.03Å; F289-I403 HydrophobicContact CB-CG1 4.2Å; F289-I403 HydrophobicContact CD1-CD1 4.39Å; F289-I403 HydrophobicContact CD2-CG1 4.31Å; F289-I403 HydrophobicContact CG-CD1 4.34Å; F289-I403 HydrophobicContact CG-CG1 4.16Å
290	L	96.9	Very high	94.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-47.3	173.3	173.7	65.3	0	0	0	111	V286 I287 E288 V293 L294 L301 L307 F315 L382	V286-L290 WeakPolarHBondContact O-CB 3.15Å; V286-L290 PolarHBondContact O-N 2.86Å; I287-L290 WeakPolarHBondContact O-CB 3.39Å; I287-L290 PolarHBondContact O-N 2.94Å; E288-L290 VanDerWaalsContact C-N 3.33Å; E288-L290 PolarHBondContact O-N 3.05Å; L290-V293 PolarHBondContact O-N 2.93Å; L290-L294 HydrophobicContact CD1-CD1 3.63Å; L290-L294 HydrophobicContact CD1-CG 3.97Å; L290-L294 HydrophobicContact CG-CD1 4.15Å; L290-L294 WeakPolarHBondContact O-CB 3.42Å; L290-L294 WeakPolarHBondContact O-CG 3.44Å; L290-L294 PolarHBondContact O-N 3.46Å; L290-L301 HydrophobicContact CB-CD1 4.45Å; L290-L301 HydrophobicContact CD2-CD1 4.01Å; L290-L301 HydrophobicContact CD2-CD2 3.87Å; L290-L301 HydrophobicContact CG-CD1 4.17Å; L290-L301 HydrophobicContact CG-CD2 4.22Å; L290-L307 HydrophobicContact CD1-CD1 3.99Å; L290-L307 HydrophobicContact CD2-CD1 4.3Å; L290-F315 HydrophobicContact CB-CD2 4.29Å; L290-F315 HydrophobicContact CB-CE2 3.95Å; L290-F315 HydrophobicContact CB-CZ 4.38Å; L290-F315 HydrophobicContact CD1-CB 3.82Å; L290-F315 HydrophobicContact CD1-CD1 3.84Å; L290-F315 HydrophobicContact CD1-CD2 3.43Å; L290-F315 VanDerWaalsContact CD1-CD2 3.43Å; L290-F315 HydrophobicContact CD1-CE1 4.22Å; L290-F315 HydrophobicContact CD1-CE2 3.83Å; L290-F315 HydrophobicContact CD1-CG 3.42Å; L290-F315 VanDerWaalsContact CD1-CG 3.42Å; L290-F315 HydrophobicContact CD1-CZ 4.21Å; L290-F315 HydrophobicContact CG-CD2 4.48Å; L290-F315 HydrophobicContact CG-CE2 4.5Å; L290-L382 HydrophobicContact CD2-CD1 3.94Å; L290-L382 HydrophobicContact CD2-CD2 4.38Å
291	A	95.5	Very high	93.7	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-46.6	178.2	0	0	0	0	0	112	I287 E288 V293 L294 D295 M296 V298 L301	I287-A291 PolarHBondContact O-N 2.86Å; I287-A291 VanDerWaalsContact O-N 3.09Å; E288-A291 WeakPolarHBondContact O-CB 3.4Å; E288-A291 PolarHBondContact O-N 2.96Å; A291-V293 PolarHBondContact O-N 3.06Å; A291-L294 PolarHBondContact O-N 2.72Å; A291-D295 PolarHBondContact O-N 2.87Å; A291-M296 CarbonylContact C-O 3.44Å; A291-M296 HydrophobicContact CB-CG 4.46Å; A291-M296 WeakPolarHBondContact CB-O 3.22Å; A291-M296 PolarHBondContact O-N 2.62Å; A291-V298 HydrophobicContact CB-CB 4.42Å; A291-V298 HydrophobicContact CB-CG2 3.65Å; A291-L301 HydrophobicContact CB-CD1 3.86Å
292	E	94.7	Very high	93.1	Very high	51 Å²	51	42.6 Å²	42.6	24%	0.238	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-36.6	177	-75.2	-163.6	-157.9	0	0	112.9	G251 R282 M284 E288 F289 D295	G251-E292 VanDerWaalsContact CA-OE2 3.25Å; G251-E292 WeakPolarHBondContact CA-OE2 3.19Å; G251-E292 PolarHBondContact N-OE2 3.18Å; R282-E292 IonicContact CZ-OE1 3.92Å; R282-E292 IonicContact NH1-OE1 3.8Å; R282-E292 PolarHBondContact NH1-OE1 2.83Å; R282-E292 IonicContact NH1-OE2 3.09Å; M284-E292 HydrophobicContact CE-CG 4.28Å; M284-E292 WeakPolarHBondContact CE-OE1 3.06Å; E288-E292 PolarHBondContact O-N 3.49Å; F289-E292 PolarHBondContact O-N 2.81Å; E292-D295 PolarHBondContact O-N 2.84Å
293	V	94.8	Very high	92.3	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-70.5	-34.8	177.6	166.2	0	0	0	0	111.7	F289 L290 A291 D295 K314 E318	F289-V293 HydrophobicContact CD1-CG2 4.24Å; F289-V293 HydrophobicContact CE1-CG2 3.76Å; F289-V293 HydrophobicContact CE2-CG2 4.11Å; F289-V293 HydrophobicContact CZ-CG2 3.68Å; F289-V293 WeakPolarHBondContact O-CB 3.4Å; F289-V293 VanDerWaalsContact O-CG2 3.31Å; F289-V293 WeakPolarHBondContact O-CG2 3.4Å; F289-V293 PolarHBondContact O-N 3.44Å; L290-V293 PolarHBondContact O-N 2.93Å; A291-V293 PolarHBondContact O-N 3.06Å; V293-D295 VanDerWaalsContact C-N 3.31Å; V293-K314 HydrophobicContact CG1-CG 4.37Å; V293-K314 WeakPolarHBondContact O-CE 3.27Å; V293-K314 PolarHBondContact O-NZ 3.11Å; V293-E318 HydrophobicContact CG1-CB 4Å; V293-E318 HydrophobicContact CG1-CG 3.76Å; V293-E318 HydrophobicContact CG2-CB 3.97Å; V293-E318 HydrophobicContact CG2-CG 4.14Å
294	L	94.1	Very high	91.4	Very high	19 Å²	19	53 Å²	53	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-87.8	0.7	179.6	-63.1	-173.6	0	0	0	113.4	L290 A291 M296 L307 Q311 K314	L290-L294 HydrophobicContact CD1-CD1 3.63Å; L290-L294 HydrophobicContact CD1-CG 3.97Å; L290-L294 HydrophobicContact CG-CD1 4.15Å; L290-L294 WeakPolarHBondContact O-CB 3.42Å; L290-L294 WeakPolarHBondContact O-CG 3.44Å; L290-L294 PolarHBondContact O-N 3.46Å; A291-L294 PolarHBondContact O-N 2.72Å; L294-M296 VanDerWaalsContact C-N 3.26Å; L294-M296 HydrophobicContact CB-CE 3.92Å; L294-M296 HydrophobicContact CB-CG 3.89Å; L294-M296 HydrophobicContact CB-SD 4.02Å; L294-M296 HydrophobicContact CD1-CE 4.06Å; L294-M296 HydrophobicContact CD1-SD 4.03Å; L294-M296 PolarHBondContact O-N 3.31Å; L294-L307 HydrophobicContact CD1-CD2 3.77Å; L294-Q311 HydrophobicContact CD1-CB 4.19Å; L294-Q311 HydrophobicContact CD1-CG 4.43Å; L294-Q311 HydrophobicContact CD2-CB 3.97Å; L294-Q311 HydrophobicContact CD2-CG 4.22Å; L294-K314 HydrophobicContact CD2-CB 4.4Å; L294-K314 HydrophobicContact CD2-CD 4.15Å
295	D	91.7	Very high	90.7	Very high	134 Å²	134	61.1 Å²	61.1	72%	0.717	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	41.5	-177.9	-58.1	-64.8	0	0	0	112.2	A291 E292 V293 K314	A291-D295 PolarHBondContact O-N 2.87Å; E292-D295 PolarHBondContact O-N 2.84Å; V293-D295 VanDerWaalsContact C-N 3.31Å; D295-K314 IonicContact OD2-NZ 3.3Å; D295-K314 PolarHBondContact OD2-NZ 3.09Å
296	M	90.9	Very high	90.1	Very high	45 Å²	45	62.1 Å²	62.1	22%	0.222	31%	0.311	C	S	.	.			trans	-126.4	153.1	-179	63.4	177.2	43.7	0	0	112	A291 L294 L301	A291-M296 CarbonylContact C-O 3.44Å; A291-M296 HydrophobicContact CB-CG 4.46Å; A291-M296 WeakPolarHBondContact CB-O 3.22Å; A291-M296 PolarHBondContact O-N 2.62Å; L294-M296 VanDerWaalsContact C-N 3.26Å; L294-M296 HydrophobicContact CB-CE 3.92Å; L294-M296 HydrophobicContact CB-CG 3.89Å; L294-M296 HydrophobicContact CB-SD 4.02Å; L294-M296 HydrophobicContact CD1-CE 4.06Å; L294-M296 HydrophobicContact CD1-SD 4.03Å; L294-M296 PolarHBondContact O-N 3.31Å; M296-L301 HydrophobicContact SD-CD2 3.43Å; M296-L301 WeakPolarHBondContact SD-CD2 3.43Å; M296-L301 HydrophobicContact SD-CG 3.93Å
297	P	90.7	Very high	89.8	Confident	83 Å²	83	63.4 Å²	63.4	54%	0.539	32%	0.317	S	S	.	.			trans	-66.6	145.2	171.8	28	-33.3	0	0	0	110.5	Q299 A300	P297-Q299 PolarHBondContact O-N 3.25Å; P297-Q299 VanDerWaalsContact O-N 3.16Å; P297-A300 HydrophobicContact CG-CB 4.01Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 3.33Å
298	V	89.3	Confident	89.6	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-56.9	-33.6	179.9	175.7	0	0	0	0	111.5	I287 E288 A291 A300 L301	I287-V298 HydrophobicContact CG2-CG1 4.14Å; E288-V298 HydrophobicContact CG-CG2 4.24Å; A291-V298 HydrophobicContact CB-CB 4.42Å; A291-V298 HydrophobicContact CB-CG2 3.65Å; V298-A300 VanDerWaalsContact C-N 3.26Å; V298-A300 PolarHBondContact O-N 3.08Å; V298-L301 WeakPolarHBondContact O-CB 3.48Å; V298-L301 PolarHBondContact O-N 3.24Å; V298-L301 VanDerWaalsContact O-N 3.1Å
299	Q	89.4	Confident	89.5	Confident	144 Å²	144	65.5 Å²	65.5	67%	0.673	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-61	-32.7	178.4	-64.9	78.1	5.5	0	0	112.6	P297 L301 S302	P297-Q299 PolarHBondContact O-N 3.25Å; P297-Q299 VanDerWaalsContact O-N 3.16Å; Q299-L301 PolarHBondContact O-N 2.94Å; Q299-S302 VanDerWaalsContact O-CB 3.29Å; Q299-S302 WeakPolarHBondContact O-CB 3.48Å; Q299-S302 PolarHBondContact O-N 3.06Å
300	A	88.4	Confident	89.4	Confident	33 Å²	33	69.1 Å²	69.1	27%	0.273	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-67.3	-24.3	178.1	0	0	0	0	0	112.4	P297 V298 S302 E303	P297-A300 HydrophobicContact CG-CB 4.01Å; P297-A300 WeakPolarHBondContact O-CB 3.49Å; P297-A300 PolarHBondContact O-N 3.33Å; V298-A300 VanDerWaalsContact C-N 3.26Å; V298-A300 PolarHBondContact O-N 3.08Å; A300-S302 PolarHBondContact O-N 2.64Å; A300-E303 WeakPolarHBondContact O-CB 3.5Å; A300-E303 PolarHBondContact O-N 3.48Å
301	L	87.2	Confident	89.3	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.031	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-71.1	-19.1	174	-64.8	173.3	0	0	0	112.7	I287 L290 A291 M296 V298 Q299 E303 L307 Y379 H381 L382	I287-L301 HydrophobicContact CG2-CD1 4.08Å; I287-L301 WeakPolarHBondContact O-CD1 3.38Å; L290-L301 HydrophobicContact CB-CD1 4.45Å; L290-L301 HydrophobicContact CD2-CD1 4.01Å; L290-L301 HydrophobicContact CD2-CD2 3.87Å; L290-L301 HydrophobicContact CG-CD1 4.17Å; L290-L301 HydrophobicContact CG-CD2 4.22Å; A291-L301 HydrophobicContact CB-CD1 3.86Å; M296-L301 HydrophobicContact SD-CD2 3.43Å; M296-L301 WeakPolarHBondContact SD-CD2 3.43Å; M296-L301 HydrophobicContact SD-CG 3.93Å; V298-L301 WeakPolarHBondContact O-CB 3.48Å; V298-L301 PolarHBondContact O-N 3.24Å; V298-L301 VanDerWaalsContact O-N 3.1Å; Q299-L301 PolarHBondContact O-N 2.94Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-L307 HydrophobicContact CD2-CD2 4.39Å; L301-Y379 HydrophobicContact CB-CE1 4.45Å; L301-H381 PolarHBondContact O-CE1 2.86Å; L301-H381 PolarHBondContact O-NE2 3.14Å; L301-L382 HydrophobicContact CD2-CD2 4.47Å
302	S	82.9	Confident	89.4	Confident	65 Å²	65	74.3 Å²	74.3	46%	0.455	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-78.4	-18.8	177.2	-55.4	0	0	0	0	112.9	Q299 A300 R304 Y379	Q299-S302 VanDerWaalsContact O-CB 3.29Å; Q299-S302 WeakPolarHBondContact O-CB 3.48Å; Q299-S302 PolarHBondContact O-N 3.06Å; A300-S302 PolarHBondContact O-N 2.64Å; S302-R304 PolarHBondContact O-N 3.23Å; S302-Y379 WeakPolarHBondContact OG-CE1 3.34Å
303	E	76.8	Confident	89.4	Confident	98 Å²	98	74.6 Å²	74.6	46%	0.458	39%	0.392	S	S	.	.	S	Bend	trans	-62.4	122.2	169	-60.1	-177.5	-161.6	0	0	107.3	A300 L301 R305 H381	A300-E303 WeakPolarHBondContact O-CB 3.5Å; A300-E303 PolarHBondContact O-N 3.48Å; L301-E303 VanDerWaalsContact C-N 3.34Å; E303-R305 PolarHBondContact O-N 3.28Å; E303-R305 IonicContact OE2-CZ 3.81Å; E303-R305 IonicContact OE2-NE 3.66Å; E303-R305 PolarHBondContact OE2-NE 3.22Å; E303-R305 IonicContact OE2-NH2 3.31Å; E303-R305 PolarHBondContact OE2-NH2 3.14Å; E303-H381 PolarHBondContact O-NE2 3.18Å
304	R	75.3	Confident	89.4	Confident	229 Å²	229	78.6 Å²	78.6	86%	0.864	41%	0.409	S	S	*	.	S	Bend	trans	-67.1	51.5	-171.3	-64.4	-174.4	177.5	-168.7	0.5	114.1	S302	S302-R304 PolarHBondContact O-N 3.23Å
305	R	81.4	Confident	89.5	Confident	178 Å²	178	77.7 Å²	77.7	67%	0.672	40%	0.404	S	S	*	.			trans	-117.5	129.8	-179.3	-55	-171.3	-138	-149.6	4.8	109.4	E303 H381	E303-R305 PolarHBondContact O-N 3.28Å; E303-R305 IonicContact OE2-CZ 3.81Å; E303-R305 IonicContact OE2-NE 3.66Å; E303-R305 PolarHBondContact OE2-NE 3.22Å; E303-R305 IonicContact OE2-NH2 3.31Å; E303-R305 PolarHBondContact OE2-NH2 3.14Å; R305-H381 PolarHBondContact O-CD2 3.32Å; R305-H381 VanDerWaalsContact O-CD2 3.23Å
306	S	84.8	Confident	89.8	Confident	70 Å²	70	72.2 Å²	72.2	49%	0.49	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-66.8	152.8	172.6	-66.4	0	0	0	0	111.9	H381	S306-H381 PolarHBondContact OG-O 3.02Å
307	L	91.2	Very high	89.9	Confident	27 Å²	27	77 Å²	77	14%	0.141	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63	140.1	175	-59.6	-179.8	0	0	0	110.5	L290 L294 L301 Q311 L382 P383	L290-L307 HydrophobicContact CD1-CD1 3.99Å; L290-L307 HydrophobicContact CD2-CD1 4.3Å; L294-L307 HydrophobicContact CD1-CD2 3.77Å; L301-L307 HydrophobicContact CD2-CD2 4.39Å; L307-Q311 HydrophobicContact CB-CB 4.19Å; L307-L382 HydrophobicContact CD2-CD2 4.13Å; L307-L382 HydrophobicContact CG-CD2 4.04Å; L307-P383 HydrophobicContact CD1-CG 4.04Å
308	S	93.2	Very high	90.1	Very high	58 Å²	58	75.1 Å²	75.1	41%	0.406	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-64.3	157.7	169.3	74.5	0	0	0	0	110.8	A310 Q311 R312	S308-A310 PolarHBondContact O-N 2.9Å; S308-Q311 PolarHBondContact O-N 3.28Å; S308-Q311 VanDerWaalsContact O-N 3.08Å; S308-Q311 WeakPolarHBondContact OG-CG 3.33Å; S308-Q311 PolarHBondContact OG-N 2.95Å; S308-Q311 PolarHBondContact OG-OE1 3.36Å; S308-R312 WeakPolarHBondContact O-CB 3.45Å; S308-R312 PolarHBondContact O-N 2.87Å
309	D	93.6	Very high	90.4	Very high	77 Å²	77	72.8 Å²	72.8	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-58.4	-35.8	178.9	-93.8	-36.2	0	0	0	111.8	R312 V313 R343	D309-R312 PolarHBondContact O-N 3.42Å; D309-R312 IonicContact OD1-CZ 3.87Å; D309-R312 IonicContact OD1-NE 4Å; D309-R312 PolarHBondContact OD1-NE 2.86Å; D309-R312 VanDerWaalsContact OD1-NE 3.14Å; D309-R312 IonicContact OD1-NH2 3.27Å; D309-R312 PolarHBondContact OD1-NH2 2.86Å; D309-V313 WeakPolarHBondContact O-CB 3.36Å; D309-V313 WeakPolarHBondContact O-CG2 3.22Å; D309-V313 PolarHBondContact O-N 2.82Å; D309-R343 IonicContact OD1-NE 4Å; D309-R343 IonicContact OD2-CZ 3.94Å; D309-R343 IonicContact OD2-NE 3.28Å; D309-R343 IonicContact OD2-NH2 2.7Å; D309-R343 PolarHBondContact OD2-NH2 3.43Å; D309-R343 VanDerWaalsContact OD2-NH2 3.09Å
310	A	94.6	Very high	90.7	Very high	76 Å²	76	70 Å²	70	63%	0.628	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-44	174.6	0	0	0	0	0	112.8	S308 V313 K314	S308-A310 PolarHBondContact O-N 2.9Å; A310-V313 PolarHBondContact O-N 3.32Å; A310-K314 WeakPolarHBondContact O-CB 3.4Å; A310-K314 PolarHBondContact O-N 3.27Å
311	Q	95.2	Very high	90.9	Very high	67 Å²	67	70 Å²	70	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-45.7	176.3	-74.3	170.7	-31	0	0	111.2	L294 L307 S308 V313 K314 F315	L294-Q311 HydrophobicContact CD1-CB 4.19Å; L294-Q311 HydrophobicContact CD1-CG 4.43Å; L294-Q311 HydrophobicContact CD2-CB 3.97Å; L294-Q311 HydrophobicContact CD2-CG 4.22Å; L307-Q311 HydrophobicContact CB-CB 4.19Å; S308-Q311 PolarHBondContact O-N 3.28Å; S308-Q311 VanDerWaalsContact O-N 3.08Å; S308-Q311 WeakPolarHBondContact OG-CG 3.33Å; S308-Q311 PolarHBondContact OG-N 2.95Å; S308-Q311 PolarHBondContact OG-OE1 3.36Å; Q311-V313 PolarHBondContact O-N 3.34Å; Q311-K314 PolarHBondContact O-N 3.11Å; Q311-F315 WeakPolarHBondContact O-CB 3.3Å; Q311-F315 PolarHBondContact O-N 3.23Å
312	R	96.2	Very high	91.4	Very high	45 Å²	45	70.2 Å²	70.2	17%	0.17	36%	0.355	C	S	.	.	H	α-helix	trans	-57.4	-49.3	176.2	-176	-175	59.9	74.3	4.5	110.5	S308 D309 K314 F315 T316 V341 T342	S308-R312 WeakPolarHBondContact O-CB 3.45Å; S308-R312 PolarHBondContact O-N 2.87Å; D309-R312 PolarHBondContact O-N 3.42Å; D309-R312 IonicContact OD1-CZ 3.87Å; D309-R312 IonicContact OD1-NE 4Å; D309-R312 PolarHBondContact OD1-NE 2.86Å; D309-R312 VanDerWaalsContact OD1-NE 3.14Å; D309-R312 IonicContact OD1-NH2 3.27Å; D309-R312 PolarHBondContact OD1-NH2 2.86Å; R312-K314 PolarHBondContact O-N 2.91Å; R312-F315 PolarHBondContact O-N 2.92Å; R312-T316 WeakPolarHBondContact O-CB 3.36Å; R312-T316 PolarHBondContact O-N 3.5Å; R312-T316 PolarHBondContact O-OG1 2.8Å; R312-V341 HydrophobicContact CG-CG1 4.49Å; R312-T342 WeakPolarHBondContact CD-O 3.27Å
313	V	96.1	Very high	92	Very high	57 Å²	57	70.8 Å²	70.8	35%	0.345	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-42.3	178.3	170	0	0	0	0	111.8	D309 A310 Q311 F315 T316 K317	D309-V313 WeakPolarHBondContact O-CB 3.36Å; D309-V313 WeakPolarHBondContact O-CG2 3.22Å; D309-V313 PolarHBondContact O-N 2.82Å; A310-V313 PolarHBondContact O-N 3.32Å; Q311-V313 PolarHBondContact O-N 3.34Å; V313-F315 VanDerWaalsContact C-N 3.35Å; V313-F315 PolarHBondContact O-N 3.12Å; V313-T316 PolarHBondContact O-N 3.16Å; V313-K317 HydrophobicContact CG1-CD 4.24Å; V313-K317 HydrophobicContact CG1-CG 4.49Å; V313-K317 WeakPolarHBondContact O-CB 3.49Å; V313-K317 WeakPolarHBondContact O-CG 3.45Å; V313-K317 PolarHBondContact O-N 2.88Å
314	K	95	Very high	92.9	Very high	91 Å²	91	66.1 Å²	66.1	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174.6	-170.5	-174.5	-176.7	-160.7	0	110.7	V293 L294 D295 A310 Q311 R312 K317 E318	V293-K314 HydrophobicContact CG1-CG 4.37Å; V293-K314 WeakPolarHBondContact O-CE 3.27Å; V293-K314 PolarHBondContact O-NZ 3.11Å; L294-K314 HydrophobicContact CD2-CB 4.4Å; L294-K314 HydrophobicContact CD2-CD 4.15Å; D295-K314 IonicContact OD2-NZ 3.3Å; D295-K314 PolarHBondContact OD2-NZ 3.09Å; A310-K314 WeakPolarHBondContact O-CB 3.4Å; A310-K314 PolarHBondContact O-N 3.27Å; Q311-K314 PolarHBondContact O-N 3.11Å; R312-K314 PolarHBondContact O-N 2.91Å; K314-K317 PolarHBondContact O-N 3.07Å; K314-E318 PolarHBondContact O-N 3.25Å
315	F	96.5	Very high	93.9	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-47.1	178	174.9	-121.3	0	0	0	112.8	V286 F289 L290 Q311 R312 V313 K317 E318 I319 V341 L385	V286-F315 HydrophobicContact CG1-CE2 4.46Å; V286-F315 HydrophobicContact CG1-CZ 3.95Å; F289-F315 AromaticContact CD1-CE2 3.88Å; F289-F315 HydrophobicContact CD1-CE2 3.88Å; F289-F315 HydrophobicContact CE1-CD2 4.47Å; F289-F315 HydrophobicContact CE1-CE2 4.08Å; L290-F315 HydrophobicContact CB-CD2 4.29Å; L290-F315 HydrophobicContact CB-CE2 3.95Å; L290-F315 HydrophobicContact CB-CZ 4.38Å; L290-F315 HydrophobicContact CD1-CB 3.82Å; L290-F315 HydrophobicContact CD1-CD1 3.84Å; L290-F315 HydrophobicContact CD1-CD2 3.43Å; L290-F315 VanDerWaalsContact CD1-CD2 3.43Å; L290-F315 HydrophobicContact CD1-CE1 4.22Å; L290-F315 HydrophobicContact CD1-CE2 3.83Å; L290-F315 HydrophobicContact CD1-CG 3.42Å; L290-F315 VanDerWaalsContact CD1-CG 3.42Å; L290-F315 HydrophobicContact CD1-CZ 4.21Å; L290-F315 HydrophobicContact CG-CD2 4.48Å; L290-F315 HydrophobicContact CG-CE2 4.5Å; Q311-F315 WeakPolarHBondContact O-CB 3.3Å; Q311-F315 PolarHBondContact O-N 3.23Å; R312-F315 PolarHBondContact O-N 2.92Å; V313-F315 VanDerWaalsContact C-N 3.35Å; V313-F315 PolarHBondContact O-N 3.12Å; F315-K317 VanDerWaalsContact C-N 3.29Å; F315-K317 PolarHBondContact O-N 2.92Å; F315-E318 PolarHBondContact O-N 3.38Å; F315-I319 HydrophobicContact CD1-CG2 4.38Å; F315-I319 HydrophobicContact CD2-CB 4.47Å; F315-I319 HydrophobicContact CD2-CG2 4.44Å; F315-I319 HydrophobicContact CE1-CD1 4.49Å; F315-I319 HydrophobicContact CE1-CG2 4.06Å; F315-I319 HydrophobicContact CE2-CB 4.01Å; F315-I319 HydrophobicContact CE2-CD1 3.82Å; F315-I319 HydrophobicContact CE2-CG2 4.13Å; F315-I319 HydrophobicContact CZ-CB 4.17Å; F315-I319 HydrophobicContact CZ-CD1 3.52Å; F315-I319 HydrophobicContact CZ-CG1 4.46Å; F315-I319 HydrophobicContact CZ-CG2 3.93Å; F315-I319 WeakPolarHBondContact O-CG2 3.49Å; F315-I319 PolarHBondContact O-N 3.15Å; F315-V341 HydrophobicContact CD1-CG1 4.06Å; F315-V341 HydrophobicContact CD1-CG2 3.96Å; F315-V341 HydrophobicContact CE1-CG1 4.09Å; F315-V341 HydrophobicContact CE1-CG2 3.84Å; F315-L385 HydrophobicContact CE1-CD2 4.06Å; F315-L385 HydrophobicContact CZ-CD2 4.09Å
316	T	96.7	Very high	94.5	Very high	19 Å²	19	48.5 Å²	48.5	12%	0.117	26%	0.263	C	S	.	.	H	α-helix	trans	-55.7	-46.1	176.4	-56.6	0	0	0	0	110.9	R312 V313 E318 I319 K320 V341	R312-T316 WeakPolarHBondContact O-CB 3.36Å; R312-T316 PolarHBondContact O-N 3.5Å; R312-T316 PolarHBondContact O-OG1 2.8Å; V313-T316 PolarHBondContact O-N 3.16Å; T316-E318 PolarHBondContact O-N 3.03Å; T316-I319 PolarHBondContact O-N 3.46Å; T316-K320 WeakPolarHBondContact O-CB 3.47Å; T316-K320 PolarHBondContact O-N 2.99Å; T316-V341 HydrophobicContact CG2-CB 4.42Å; T316-V341 HydrophobicContact CG2-CG2 4.34Å; T316-V341 WeakPolarHBondContact OG1-CB 3.12Å
317	K	93.2	Very high	95	Very high	145 Å²	145	47.2 Å²	47.2	63%	0.63	25%	0.252	S	S	*	.	H	α-helix	trans	-58.7	-31.1	177.3	-78.8	-179.5	179.5	180	0	112.2	V313 K314 F315 K411	V313-K317 HydrophobicContact CG1-CD 4.24Å; V313-K317 HydrophobicContact CG1-CG 4.49Å; V313-K317 WeakPolarHBondContact O-CB 3.49Å; V313-K317 WeakPolarHBondContact O-CG 3.45Å; V313-K317 PolarHBondContact O-N 2.88Å; K314-K317 PolarHBondContact O-N 3.07Å; F315-K317 VanDerWaalsContact C-N 3.29Å; F315-K317 PolarHBondContact O-N 2.92Å; K317-K411 PolarHBondContact O-NZ 3.36Å
318	E	94.8	Very high	95	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-85.8	-43.9	179.9	-73	-60.4	157.8	0	0	113.8	R252 F289 V293 K314 F315 T316 K411	R252-E318 IonicContact CZ-OE2 3.82Å; R252-E318 IonicContact NH2-OE1 3.18Å; R252-E318 PolarHBondContact NH2-OE1 3.19Å; R252-E318 IonicContact NH2-OE2 3.59Å; R252-E318 PolarHBondContact NH2-OE2 3.05Å; F289-E318 HydrophobicContact CE1-CB 4.44Å; F289-E318 HydrophobicContact CZ-CB 4.27Å; V293-E318 HydrophobicContact CG1-CB 4Å; V293-E318 HydrophobicContact CG1-CG 3.76Å; V293-E318 HydrophobicContact CG2-CB 3.97Å; V293-E318 HydrophobicContact CG2-CG 4.14Å; K314-E318 PolarHBondContact O-N 3.25Å; F315-E318 PolarHBondContact O-N 3.38Å; T316-E318 PolarHBondContact O-N 3.03Å; E318-K411 VanDerWaalsContact C-NZ 3.33Å; E318-K411 PolarHBondContact O-NZ 3.49Å
319	I	96.6	Very high	94.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-85.8	-25.2	-175.3	-159.9	162.9	0	0	0	114.3	V286 F289 F315 T316 G321 L322 V338 V341 L385 I403	V286-I319 HydrophobicContact CG1-CD1 3.52Å; V286-I319 HydrophobicContact CG2-CD1 4.4Å; F289-I319 HydrophobicContact CD1-CD1 4.28Å; F289-I319 HydrophobicContact CE1-CB 4.02Å; F289-I319 HydrophobicContact CE1-CD1 4.38Å; F289-I319 HydrophobicContact CE1-CG1 4.25Å; F315-I319 HydrophobicContact CD1-CG2 4.38Å; F315-I319 HydrophobicContact CD2-CB 4.47Å; F315-I319 HydrophobicContact CD2-CG2 4.44Å; F315-I319 HydrophobicContact CE1-CD1 4.49Å; F315-I319 HydrophobicContact CE1-CG2 4.06Å; F315-I319 HydrophobicContact CE2-CB 4.01Å; F315-I319 HydrophobicContact CE2-CD1 3.82Å; F315-I319 HydrophobicContact CE2-CG2 4.13Å; F315-I319 HydrophobicContact CZ-CB 4.17Å; F315-I319 HydrophobicContact CZ-CD1 3.52Å; F315-I319 HydrophobicContact CZ-CG1 4.46Å; F315-I319 HydrophobicContact CZ-CG2 3.93Å; F315-I319 WeakPolarHBondContact O-CG2 3.49Å; F315-I319 PolarHBondContact O-N 3.15Å; T316-I319 PolarHBondContact O-N 3.46Å; I319-G321 PolarHBondContact O-N 3.2Å; I319-L322 HydrophobicContact CG1-CD1 4.5Å; I319-L322 WeakPolarHBondContact O-CB 3.11Å; I319-L322 WeakPolarHBondContact O-CG 3.18Å; I319-L322 PolarHBondContact O-N 3.39Å; I319-V338 HydrophobicContact CG1-CG1 4.44Å; I319-V338 HydrophobicContact CG1-CG2 4.25Å; I319-V338 HydrophobicContact CG2-CG1 4.2Å; I319-V341 HydrophobicContact CG2-CG2 3.54Å; I319-L385 HydrophobicContact CD1-CD1 4.18Å; I319-L385 HydrophobicContact CD1-CD2 3.75Å; I319-I403 HydrophobicContact CD1-CD1 4.3Å
320	K	94.8	Very high	94.1	Very high	86 Å²	86	45.3 Å²	45.3	37%	0.374	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	129	179	-179.3	166.9	179.3	139.7	0	110.3	T316 C339 E390 K411	T316-K320 WeakPolarHBondContact O-CB 3.47Å; T316-K320 PolarHBondContact O-N 2.99Å; K320-C339 WeakPolarHBondContact CD-O 3.47Å; K320-C339 WeakPolarHBondContact CE-O 3.46Å; K320-C339 WeakPolarHBondContact CG-O 3.35Å; K320-C339 PolarHBondContact NZ-O 3.33Å; K320-E390 IonicContact NZ-OE1 2.6Å; K320-E390 PolarHBondContact NZ-OE1 3.02Å; K320-K411 PolarHBondContact O-NZ 3.43Å
321	G	93.5	Very high	93.3	Very high	31 Å²	31	48.6 Å²	48.6	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-13.1	-177.3	0	0	0	0	0	114.8	I319 R337 V338	I319-G321 PolarHBondContact O-N 3.2Å; G321-R337 PolarHBondContact O-NH1 3.42Å; G321-V338 WeakPolarHBondContact CA-O 3.33Å; G321-V338 PolarHBondContact N-O 3.04Å
322	L	96.2	Very high	92.5	Very high	12 Å²	12	48.4 Å²	48.4	6%	0.063	26%	0.264	C	S	.	.			trans	-76.3	153.2	177.2	-56.3	-172.3	0	0	0	111.5	Y281 F289 I319 R337 V338 I403	Y281-L322 HydrophobicContact CD1-CD1 3.88Å; Y281-L322 HydrophobicContact CD2-CD1 4.28Å; Y281-L322 HydrophobicContact CD2-CD2 3.63Å; Y281-L322 HydrophobicContact CE1-CD1 3.81Å; Y281-L322 HydrophobicContact CE1-CD2 4.31Å; Y281-L322 HydrophobicContact CE2-CD1 4.23Å; Y281-L322 HydrophobicContact CE2-CD2 3.27Å; Y281-L322 HydrophobicContact CE2-CG 4.39Å; Y281-L322 HydrophobicContact CG-CD1 4.1Å; Y281-L322 HydrophobicContact CG-CD2 4.28Å; F289-L322 HydrophobicContact CZ-CD1 4.03Å; I319-L322 HydrophobicContact CG1-CD1 4.5Å; I319-L322 WeakPolarHBondContact O-CB 3.11Å; I319-L322 WeakPolarHBondContact O-CG 3.18Å; I319-L322 PolarHBondContact O-N 3.39Å; L322-R337 WeakPolarHBondContact O-CA 3.49Å; L322-V338 PolarHBondContact O-N 3.34Å; L322-I403 HydrophobicContact CD1-CD1 4.43Å
323	K	96	Very high	91.7	Very high	76 Å²	76	51 Å²	51	33%	0.33	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.9	170.4	-60.2	-179.3	-179.8	-178	0	110.4	Y336 R337 V404 Q407	K323-Y336 CarbonylContact C-O 3.59Å; K323-Y336 WeakPolarHBondContact CA-O 3.14Å; K323-R337 VanDerWaalsContact CE-NH2 3.29Å; K323-R337 HydrophobicContact CG-CB 4.5Å; K323-V404 HydrophobicContact CB-CB 4.17Å; K323-V404 HydrophobicContact CB-CG2 4.02Å; K323-V404 PolarHBondContact O-N 2.88Å; K323-V404 VanDerWaalsContact O-N 3.1Å; K323-Q407 VanDerWaalsContact CB-OE1 3.29Å; K323-Q407 PolarHBondContact O-NE2 3.06Å
324	C	96.4	Very high	91.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158	168.7	59.2	0	0	0	0	110.5	K335 Y336 C401 N402	C324-K335 CarbonylContact O-C 3.58Å; C324-K335 WeakPolarHBondContact O-CA 3.36Å; C324-Y336 PolarHBondContact N-O 3.46Å; C324-Y336 PolarHBondContact O-N 2.84Å; C324-C401 HydrophobicContact CB-CB 4.22Å; C324-N402 CarbonylContact C-O 3.6Å; C324-N402 WeakPolarHBondContact CA-O 3.42Å; C324-N402 WeakPolarHBondContact CB-O 3.48Å
325	E	95.3	Very high	91.1	Very high	31 Å²	31	54.6 Å²	54.6	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.7	171	61.8	-177.5	-154.5	0	0	110.5	R334 K335 C401 N402 V404	E325-R334 WeakPolarHBondContact CA-O 3.44Å; E325-K335 HydrophobicContact CB-CG 4.17Å; E325-C401 WeakPolarHBondContact O-CA 3.48Å; E325-N402 HydrophobicContact CG-CB 3.94Å; E325-N402 PolarHBondContact N-O 3.02Å; E325-N402 PolarHBondContact O-N 3.19Å; E325-V404 HydrophobicContact CB-CG2 3.99Å; E325-V404 HydrophobicContact CG-CG2 4.22Å
326	I	95.2	Very high	91	Very high	6 Å²	6	57 Å²	57	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.9	-178.9	62.2	173.7	0	0	0	111.9	C329 R333 R334 Y336 L396 V400	I326-C329 HydrophobicContact CD1-CB 4.06Å; I326-R333 WeakPolarHBondContact O-CD 3.33Å; I326-R334 HydrophobicContact CD1-CB 3.81Å; I326-R334 HydrophobicContact CG1-CB 3.98Å; I326-R334 PolarHBondContact N-O 3.43Å; I326-R334 VanDerWaalsContact N-O 3.1Å; I326-Y336 HydrophobicContact CG2-CD2 4.06Å; I326-Y336 HydrophobicContact CG2-CE2 3.91Å; I326-L396 HydrophobicContact CG2-CD1 3.81Å; I326-L396 HydrophobicContact CG2-CD2 4.18Å; I326-V400 CarbonylContact C-O 3.51Å; I326-V400 WeakPolarHBondContact CA-O 3.36Å
327	T	94	Very high	91	Very high	43 Å²	43	62.3 Å²	62.3	26%	0.264	31%	0.309	S	S	.	.	S	Bend	trans	-109.5	-13.4	178.1	56.9	0	0	0	0	114.4	R333 V400 N402	T327-R333 PolarHBondContact O-NH1 3.05Å; T327-V400 PolarHBondContact N-O 2.95Å; T327-V400 VanDerWaalsContact OG1-C 3.24Å; T327-V400 WeakPolarHBondContact OG1-CA 3.17Å; T327-V400 PolarHBondContact OG1-O 3.13Å; T327-N402 WeakPolarHBondContact CG2-ND2 3.42Å
328	H	91.4	Very high	91.2	Very high	30 Å²	30	55.5 Å²	55.5	14%	0.139	28%	0.279	C	S	.	.	S	Bend	trans	-84	-9.6	-170.4	61.5	-83.3	0	0	0	115.9	F369 Y373 I375 V400	H328-F369 HydrophobicContact CB-CE1 4.43Å; H328-F369 AromaticContact CD2-CE1 3.75Å; H328-F369 AromaticContact CE1-CE1 3.87Å; H328-F369 AromaticContact CE1-CZ 3.99Å; H328-F369 AromaticContact CG-CE1 3.81Å; H328-F369 AromaticContact ND1-CE1 3.87Å; H328-F369 AromaticContact NE2-CE1 3.81Å; H328-Y373 AromaticContact CD2-CD2 3.8Å; H328-Y373 AromaticContact CD2-CE2 3.6Å; H328-Y373 AromaticContact CD2-CZ 3.73Å; H328-Y373 AromaticContact NE2-CE2 3.73Å; H328-Y373 AromaticContact NE2-CZ 3.82Å; H328-I375 HydrophobicContact CB-CD1 3.47Å; H328-I375 VanDerWaalsContact CB-CD1 3.47Å; H328-V400 HydrophobicContact CB-CB 4.2Å; H328-V400 HydrophobicContact CB-CG1 4.1Å
329	C	88.3	Confident	91.3	Very high	38 Å²	38	54.1 Å²	54.1	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-105.1	44.8	-177	-63.8	0	0	0	0	113	I326 T331 M332	I326-C329 HydrophobicContact CD1-CB 4.06Å; C329-T331 PolarHBondContact O-N 2.79Å; C329-M332 HydrophobicContact CB-CB 3.98Å; C329-M332 HydrophobicContact CB-SD 4.47Å; C329-M332 VanDerWaalsContact O-CB 3.3Å; C329-M332 WeakPolarHBondContact O-CB 3.28Å; C329-M332 PolarHBondContact O-N 3.27Å
330	G	80.8	Confident	91.3	Very high	55 Å²	55	56.8 Å²	56.8	57%	0.567	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-121	177	0	0	0	0	0	113.1	M332 R333	G330-M332 VanDerWaalsContact C-N 3.31Å; G330-R333 PolarHBondContact O-NH1 2.78Å
331	T	76.9	Confident	91.4	Very high	145 Å²	145	52.9 Å²	52.9	89%	0.89	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.7	177.7	53.8	0	0	0	0	113.2	C329 R333	C329-T331 PolarHBondContact O-N 2.79Å; T331-R333 PolarHBondContact O-N 3.09Å
332	M	77.9	Confident	91.6	Very high	62 Å²	62	51.9 Å²	51.9	31%	0.305	26%	0.26	S	S	.	.			trans	-74.7	111.8	179.4	-167.7	-168.5	-167.5	0	0	110.6	C329 G330 R334	C329-M332 HydrophobicContact CB-CB 3.98Å; C329-M332 HydrophobicContact CB-SD 4.47Å; C329-M332 VanDerWaalsContact O-CB 3.3Å; C329-M332 WeakPolarHBondContact O-CB 3.28Å; C329-M332 PolarHBondContact O-N 3.27Å; G330-M332 VanDerWaalsContact C-N 3.31Å; M332-R334 HydrophobicContact CE-CB 4.3Å
333	R	80.8	Confident	91.5	Very high	100 Å²	100	60 Å²	60	38%	0.377	29%	0.29	S	S	.	.			trans	-107.4	59.6	179.6	-65.4	-69.5	-175.2	-119.8	0.3	111.3	I326 T327 G330 T331 K335	I326-R333 WeakPolarHBondContact O-CD 3.33Å; T327-R333 PolarHBondContact O-NH1 3.05Å; G330-R333 PolarHBondContact O-NH1 2.78Å; T331-R333 PolarHBondContact O-N 3.09Å; R333-K335 PolarHBondContact O-N 3.47Å
334	R	87.1	Confident	91.5	Very high	129 Å²	129	63.2 Å²	63.2	49%	0.487	30%	0.3	S	S	.	.			trans	-63.2	129.9	-177.6	-168.4	165.9	177.9	178.5	5	111	E325 I326 M332 Y336	E325-R334 WeakPolarHBondContact CA-O 3.44Å; I326-R334 HydrophobicContact CD1-CB 3.81Å; I326-R334 HydrophobicContact CG1-CB 3.98Å; I326-R334 PolarHBondContact N-O 3.43Å; I326-R334 VanDerWaalsContact N-O 3.1Å; M332-R334 HydrophobicContact CE-CB 4.3Å; R334-Y336 HydrophobicContact CB-CE2 4.08Å; R334-Y336 WeakPolarHBondContact CD-OH 3.17Å; R334-Y336 HydrophobicContact CG-CD2 4.46Å; R334-Y336 HydrophobicContact CG-CE2 3.77Å; R334-Y336 PolarHBondContact NE-OH 3.23Å
335	K	91.9	Very high	91.5	Very high	95 Å²	95	64.1 Å²	64.1	41%	0.413	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.8	-178.9	-64.6	165.2	-172.1	141.3	0	111	D176 C324 E325 R333 V404	D176-K335 IonicContact OD1-NZ 3.18Å; D176-K335 IonicContact OD2-NZ 2.74Å; D176-K335 PolarHBondContact OD2-NZ 3.44Å; C324-K335 CarbonylContact O-C 3.58Å; C324-K335 WeakPolarHBondContact O-CA 3.36Å; E325-K335 HydrophobicContact CB-CG 4.17Å; R333-K335 PolarHBondContact O-N 3.47Å; K335-V404 HydrophobicContact CG-CG2 4.12Å
336	Y	94.3	Very high	91.6	Very high	51 Å²	51	62.7 Å²	62.7	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.2	176.3	-66.9	-81.7	0	0	0	111.2	K323 C324 I326 R334 V387 L396	K323-Y336 CarbonylContact C-O 3.59Å; K323-Y336 WeakPolarHBondContact CA-O 3.14Å; C324-Y336 PolarHBondContact N-O 3.46Å; C324-Y336 PolarHBondContact O-N 2.84Å; I326-Y336 HydrophobicContact CG2-CD2 4.06Å; I326-Y336 HydrophobicContact CG2-CE2 3.91Å; R334-Y336 HydrophobicContact CB-CE2 4.08Å; R334-Y336 WeakPolarHBondContact CD-OH 3.17Å; R334-Y336 HydrophobicContact CG-CD2 4.46Å; R334-Y336 HydrophobicContact CG-CE2 3.77Å; R334-Y336 PolarHBondContact NE-OH 3.23Å; Y336-V387 HydrophobicContact CD1-CB 4.43Å; Y336-V387 HydrophobicContact CD1-CG2 3.85Å; Y336-V387 HydrophobicContact CE1-CG2 4.49Å; Y336-V387 HydrophobicContact CG-CB 4.27Å; Y336-V387 HydrophobicContact CG-CG2 3.85Å; Y336-L396 HydrophobicContact CD2-CD1 3.97Å; Y336-L396 HydrophobicContact CE2-CD1 4.4Å
337	R	95.6	Very high	91.7	Very high	129 Å²	129	67 Å²	67	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.8	169.1	-171.9	-180	-61.4	-85.3	8.8	109.3	G321 L322 K323 C339 V387 G388	G321-R337 PolarHBondContact O-NH1 3.42Å; L322-R337 WeakPolarHBondContact O-CA 3.49Å; K323-R337 VanDerWaalsContact CE-NH2 3.29Å; K323-R337 HydrophobicContact CG-CB 4.5Å; R337-C339 PolarHBondContact O-N 2.87Å; R337-V387 WeakPolarHBondContact O-CA 3.26Å; R337-G388 PolarHBondContact O-N 3.31Å
338	V	97.4	Very high	91.8	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.5	174.9	-175.6	0	0	0	0	109.3	I319 G321 L322 N340 L385 V387	I319-V338 HydrophobicContact CG1-CG1 4.44Å; I319-V338 HydrophobicContact CG1-CG2 4.25Å; I319-V338 HydrophobicContact CG2-CG1 4.2Å; G321-V338 WeakPolarHBondContact CA-O 3.33Å; G321-V338 PolarHBondContact N-O 3.04Å; L322-V338 PolarHBondContact O-N 3.34Å; V338-N340 WeakPolarHBondContact CG1-O 3.21Å; V338-L385 HydrophobicContact CG1-CB 4.39Å; V338-L385 HydrophobicContact CG1-CD2 4.48Å; V338-L385 HydrophobicContact CG2-CB 4.42Å; V338-L385 HydrophobicContact CG2-CD1 4.11Å; V338-V387 HydrophobicContact CG2-CG1 4.15Å
339	C	96.2	Very high	92.1	Very high	15 Å²	15	67.8 Å²	67.8	10%	0.101	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-26.3	176.4	60.8	0	0	0	0	112	K320 R337 Q386 E390	K320-C339 WeakPolarHBondContact CD-O 3.47Å; K320-C339 WeakPolarHBondContact CE-O 3.46Å; K320-C339 WeakPolarHBondContact CG-O 3.35Å; K320-C339 PolarHBondContact NZ-O 3.33Å; R337-C339 PolarHBondContact O-N 2.87Å; C339-Q386 PolarHBondContact N-O 2.85Å; C339-Q386 VanDerWaalsContact SG-C 3.58Å; C339-Q386 PolarHBondContact SG-O 3.01Å; C339-E390 HydrophobicContact CB-CG 3.42Å; C339-E390 VanDerWaalsContact CB-CG 3.42Å
340	N	96.9	Very high	92.5	Very high	57 Å²	57	67.7 Å²	67.7	31%	0.305	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	175.9	175.7	-144.6	-17.8	0	0	0	112.9	V338 Q386	V338-N340 WeakPolarHBondContact CG1-O 3.21Å; N340-Q386 HydrophobicContact CB-CB 3.95Å; N340-Q386 PolarHBondContact N-O 2.8Å; N340-Q386 PolarHBondContact O-N 3.44Å
341	V	97.5	Very high	93.3	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.8	168.9	178.7	0	0	0	0	107.8	R312 F315 T316 I319 P383 C384 L385	R312-V341 HydrophobicContact CG-CG1 4.49Å; F315-V341 HydrophobicContact CD1-CG1 4.06Å; F315-V341 HydrophobicContact CD1-CG2 3.96Å; F315-V341 HydrophobicContact CE1-CG1 4.09Å; F315-V341 HydrophobicContact CE1-CG2 3.84Å; T316-V341 HydrophobicContact CG2-CB 4.42Å; T316-V341 HydrophobicContact CG2-CG2 4.34Å; T316-V341 WeakPolarHBondContact OG1-CB 3.12Å; I319-V341 HydrophobicContact CG2-CG2 3.54Å; V341-P383 HydrophobicContact CG1-CB 3.75Å; V341-P383 HydrophobicContact CG1-CG 3.71Å; V341-C384 WeakPolarHBondContact CA-O 3.4Å; V341-L385 HydrophobicContact CG2-CD2 4.21Å
342	T	97.1	Very high	94.2	Very high	10 Å²	10	62.2 Å²	62.2	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	151.6	-175	62.9	0	0	0	0	111.8	R312 R344 Q349 P383 C384 Y395	R312-T342 WeakPolarHBondContact CD-O 3.27Å; T342-R344 PolarHBondContact OG1-O 3.43Å; T342-Q349 HydrophobicContact CG2-CG 4.04Å; T342-P383 WeakPolarHBondContact O-CB 3.48Å; T342-C384 HydrophobicContact CG2-CB 3.97Å; T342-C384 PolarHBondContact N-O 2.85Å; T342-C384 PolarHBondContact OG1-N 3.07Å; T342-C384 PolarHBondContact OG1-O 2.94Å; T342-Y395 HydrophobicContact CG2-CD1 3.56Å; T342-Y395 HydrophobicContact CG2-CE1 3.69Å; T342-Y395 HydrophobicContact CG2-CG 4.37Å
343	R	95.8	Very high	94.9	Very high	183 Å²	183	61.3 Å²	61.3	69%	0.691	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	-38.8	172.1	-167.5	177.5	-172.2	-175.8	1.6	111.5	D309	D309-R343 IonicContact OD1-NE 4Å; D309-R343 IonicContact OD2-CZ 3.94Å; D309-R343 IonicContact OD2-NE 3.28Å; D309-R343 IonicContact OD2-NH2 2.7Å; D309-R343 PolarHBondContact OD2-NH2 3.43Å; D309-R343 VanDerWaalsContact OD2-NH2 3.09Å
344	R	95.9	Very high	95.3	Very high	142 Å²	142	63.6 Å²	63.6	54%	0.536	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	144.3	177.6	-63.1	-178.7	-176.4	166.1	2.2	110.7	T342 Q349	T342-R344 PolarHBondContact OG1-O 3.43Å; R344-Q349 HydrophobicContact CB-CB 4.12Å
345	P	96.5	Very high	95.4	Very high	20 Å²	20	60.4 Å²	60.4	13%	0.13	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	162.6	173.3	31.9	-38.1	0	0	0	112.2	Q347 T348 Q349 H381 L382	P345-Q347 HydrophobicContact CB-CG 4.26Å; P345-Q347 HydrophobicContact CG-CG 3.98Å; P345-Q347 PolarHBondContact O-N 2.88Å; P345-Q347 VanDerWaalsContact O-N 3.12Å; P345-T348 VanDerWaalsContact CD-OG1 3.27Å; P345-T348 WeakPolarHBondContact CD-OG1 3.44Å; P345-T348 WeakPolarHBondContact CG-OG1 3.35Å; P345-T348 CarbonylContact O-C 3.58Å; P345-T348 PolarHBondContact O-N 3.16Å; P345-Q349 VanDerWaalsContact O-CB 3.3Å; P345-Q349 WeakPolarHBondContact O-CB 3.48Å; P345-Q349 PolarHBondContact O-N 2.85Å; P345-H381 VanDerWaalsContact CB-C 3.45Å; P345-H381 VanDerWaalsContact CB-O 3.27Å; P345-H381 WeakPolarHBondContact CB-O 3.42Å; P345-L382 CarbonylContact C-O 3.59Å; P345-L382 VanDerWaalsContact CA-O 3.3Å; P345-L382 WeakPolarHBondContact CA-O 3.18Å
346	A	97.1	Very high	95.1	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.008	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.9	-176.2	0	0	0	0	0	114	T348 A366 L377 P380 L382	A346-T348 VanDerWaalsContact C-N 3.33Å; A346-T348 PolarHBondContact O-N 3.4Å; A346-A366 PolarHBondContact O-N 3.48Å; A346-L377 HydrophobicContact CB-CD1 3.9Å; A346-P380 PolarHBondContact N-O 3.22Å; A346-L382 PolarHBondContact N-O 2.81Å
347	Q	95.7	Very high	94.8	Very high	97 Å²	97	67.5 Å²	67.5	45%	0.453	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.1	175.9	59.5	-173.9	45.5	0	0	115.1	P345 T364 P380	P345-Q347 HydrophobicContact CB-CG 4.26Å; P345-Q347 HydrophobicContact CG-CG 3.98Å; P345-Q347 PolarHBondContact O-N 2.88Å; P345-Q347 VanDerWaalsContact O-N 3.12Å; Q347-T364 WeakPolarHBondContact O-CG2 3.46Å; Q347-P380 HydrophobicContact CB-CB 4.16Å; Q347-P380 WeakPolarHBondContact CG-O 3.48Å; Q347-P380 PolarHBondContact N-O 3.13Å
348	T	96.6	Very high	94.3	Very high	67 Å²	67	64 Å²	64	41%	0.411	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-6.3	-179.5	56.6	0	0	0	0	113.9	P345 A346 T350	P345-T348 VanDerWaalsContact CD-OG1 3.27Å; P345-T348 WeakPolarHBondContact CD-OG1 3.44Å; P345-T348 WeakPolarHBondContact CG-OG1 3.35Å; P345-T348 CarbonylContact O-C 3.58Å; P345-T348 PolarHBondContact O-N 3.16Å; A346-T348 VanDerWaalsContact C-N 3.33Å; A346-T348 PolarHBondContact O-N 3.4Å; T348-T350 PolarHBondContact O-N 3.08Å
349	Q	97.6	Very high	93.9	Very high	22 Å²	22	69.5 Å²	69.5	10%	0.103	36%	0.356	C	S	.	.			trans	-72.3	120.4	170.4	179.3	60.3	58.1	0	0	108.8	T342 R344 P345 T364 V365 Y395	T342-Q349 HydrophobicContact CG2-CG 4.04Å; R344-Q349 HydrophobicContact CB-CB 4.12Å; P345-Q349 VanDerWaalsContact O-CB 3.3Å; P345-Q349 WeakPolarHBondContact O-CB 3.48Å; P345-Q349 PolarHBondContact O-N 2.85Å; Q349-T364 CarbonylContact O-C 3.53Å; Q349-T364 VanDerWaalsContact O-CA 3.29Å; Q349-T364 WeakPolarHBondContact O-CA 3.34Å; Q349-V365 HydrophobicContact CB-CG2 4.27Å; Q349-V365 HydrophobicContact CG-CG2 4.02Å; Q349-V365 PolarHBondContact O-N 3.25Å; Q349-Y395 HydrophobicContact CG-CD2 4.09Å; Q349-Y395 HydrophobicContact CG-CE2 4.32Å; Q349-Y395 HydrophobicContact CG-CG 4.3Å
350	T	97.6	Very high	93.7	Very high	35 Å²	35	72.3 Å²	72.3	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	164.1	179.4	62.2	0	0	0	0	112.1	T348 E362 C363 T364 Y395	T348-T350 PolarHBondContact O-N 3.08Å; T350-E362 WeakPolarHBondContact CB-OE2 3.47Å; T350-E362 PolarHBondContact OG1-OE2 3.07Å; T350-C363 CarbonylContact C-O 3.57Å; T350-C363 VanDerWaalsContact CA-O 3.22Å; T350-C363 WeakPolarHBondContact CA-O 3.17Å; T350-T364 HydrophobicContact CG2-CG2 3.75Å; T350-Y395 WeakPolarHBondContact O-CE2 3.38Å
351	F	96.8	Very high	93.5	Very high	30 Å²	30	72.3 Å²	72.3	13%	0.132	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.8	168.5	65.1	-80.8	0	0	0	109.7	L353 C363 V365 Y368 H393 Y395	F351-L353 HydrophobicContact CE2-CB 4.03Å; F351-L353 HydrophobicContact CE2-CD1 4.09Å; F351-L353 PolarHBondContact O-N 2.88Å; F351-C363 WeakPolarHBondContact CD1-O 3.14Å; F351-C363 PolarHBondContact N-O 2.98Å; F351-C363 PolarHBondContact O-N 3.21Å; F351-C363 VanDerWaalsContact O-N 3.08Å; F351-V365 HydrophobicContact CD1-CG2 4.11Å; F351-V365 HydrophobicContact CE1-CG2 4.34Å; F351-Y368 HydrophobicContact CE1-CD1 4.42Å; F351-Y368 HydrophobicContact CE1-CG 4.09Å; F351-Y368 HydrophobicContact CZ-CD1 4.01Å; F351-Y368 AromaticContact CZ-CD2 3.72Å; F351-Y368 HydrophobicContact CZ-CD2 3.72Å; F351-Y368 HydrophobicContact CZ-CE1 4.48Å; F351-Y368 HydrophobicContact CZ-CE2 4.21Å; F351-Y368 AromaticContact CZ-CG 3.58Å; F351-Y368 HydrophobicContact CZ-CG 3.58Å; F351-H393 HydrophobicContact CB-CB 4Å; F351-Y395 HydrophobicContact CB-CD2 4.02Å; F351-Y395 HydrophobicContact CB-CE2 3.89Å; F351-Y395 HydrophobicContact CD1-CD2 4.49Å
352	P	95.7	Very high	93.3	Very high	56 Å²	56	77.9 Å²	77.9	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	118.7	175.1	26.8	-33.7	0	0	0	110	T360	P352-T360 HydrophobicContact CB-CG2 3.67Å
353	L	93	Very high	93.2	Very high	42 Å²	42	77.7 Å²	77.7	22%	0.22	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.4	176.5	178.2	67.5	0	0	0	109	F351 L355 T360 I361 C363 Y368	F351-L353 HydrophobicContact CE2-CB 4.03Å; F351-L353 HydrophobicContact CE2-CD1 4.09Å; F351-L353 PolarHBondContact O-N 2.88Å; L353-L355 HydrophobicContact CD2-CD2 4.38Å; L353-T360 WeakPolarHBondContact O-CA 3.34Å; L353-I361 HydrophobicContact CB-CG1 4.35Å; L353-I361 PolarHBondContact N-O 2.79Å; L353-I361 PolarHBondContact O-N 3.06Å; L353-C363 HydrophobicContact CB-CB 4.01Å; L353-C363 HydrophobicContact CD2-CB 3.92Å; L353-Y368 HydrophobicContact CD1-CD2 4.37Å; L353-Y368 HydrophobicContact CD1-CE2 4.14Å; L353-Y368 HydrophobicContact CD2-CD2 4.23Å
354	Q	90.2	Very high	93.3	Very high	148 Å²	148	70.8 Å²	70.8	69%	0.692	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.9	167.8	-81.6	178.5	-15.2	0	0	109.6	T360	Q354-T360 VanDerWaalsContact CG-OG1 3.3Å; Q354-T360 WeakPolarHBondContact CG-OG1 3.38Å
355	L	88	Confident	93.4	Very high	62 Å²	62	64 Å²	64	33%	0.325	35%	0.35	S	S	.	.			trans	-83.5	164.7	171.6	-60.5	179	0	0	0	110.4	L353 N357 G358 Q359 I361	L353-L355 HydrophobicContact CD2-CD2 4.38Å; L355-N357 VanDerWaalsContact CB-OD1 3.28Å; L355-N357 WeakPolarHBondContact CB-OD1 3.42Å; L355-N357 PolarHBondContact O-N 2.82Å; L355-N357 VanDerWaalsContact O-N 3.15Å; L355-G358 PolarHBondContact O-N 3.39Å; L355-Q359 PolarHBondContact N-O 2.95Å; L355-I361 HydrophobicContact CD1-CD1 4.11Å; L355-I361 HydrophobicContact CD1-CG1 4.23Å; L355-I361 HydrophobicContact CD1-CG2 3.84Å; L355-I361 HydrophobicContact CD2-CD1 3.88Å; L355-I361 HydrophobicContact CD2-CG1 4.12Å; L355-I361 HydrophobicContact CG-CD1 4.21Å; L355-I361 HydrophobicContact CG-CG1 4.08Å; L355-I361 HydrophobicContact CG-CG2 4.4Å
356	D	85.4	Confident	93.5	Very high	182 Å²	182	64 Å²	64	97%	0.973	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.8	-179	-58.7	-32.7	0	0	0	113.1	G358	D356-G358 PolarHBondContact O-N 3.38Å
357	N	87.8	Confident	93.4	Very high	113 Å²	113	69.5 Å²	69.5	60%	0.604	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	6	174.4	70.1	-2.4	0	0	0	113.7	L355 Q359	L355-N357 VanDerWaalsContact CB-OD1 3.28Å; L355-N357 WeakPolarHBondContact CB-OD1 3.42Å; L355-N357 PolarHBondContact O-N 2.82Å; L355-N357 VanDerWaalsContact O-N 3.15Å; N357-Q359 VanDerWaalsContact C-N 3.27Å; N357-Q359 PolarHBondContact O-N 3.38Å; N357-Q359 VanDerWaalsContact OD1-CB 3.22Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.17Å; N357-Q359 PolarHBondContact OD1-N 3.34Å
358	G	86.2	Confident	93.5	Very high	57 Å²	57	67 Å²	67	59%	0.588	36%	0.362	S	S	*	.	S	Bend	trans	81.1	-8.4	-178.4	0	0	0	0	0	115.2	L355 D356	L355-G358 PolarHBondContact O-N 3.39Å; D356-G358 PolarHBondContact O-N 3.38Å
359	Q	88.8	Confident	93.6	Very high	116 Å²	116	63.9 Å²	63.9	54%	0.542	34%	0.343	S	S	.	.			trans	-72.7	134.7	177.6	-168.3	178.6	12.8	0	0	110.6	L355 N357 I361	L355-Q359 PolarHBondContact N-O 2.95Å; N357-Q359 VanDerWaalsContact C-N 3.27Å; N357-Q359 PolarHBondContact O-N 3.38Å; N357-Q359 VanDerWaalsContact OD1-CB 3.22Å; N357-Q359 WeakPolarHBondContact OD1-CB 3.17Å; N357-Q359 PolarHBondContact OD1-N 3.34Å; Q359-I361 HydrophobicContact CG-CG2 4.38Å
360	T	90.8	Very high	93.5	Very high	75 Å²	75	68 Å²	68	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.9	172	-56	0	0	0	0	109.7	P352 L353 Q354	P352-T360 HydrophobicContact CB-CG2 3.67Å; L353-T360 WeakPolarHBondContact O-CA 3.34Å; Q354-T360 VanDerWaalsContact CG-OG1 3.3Å; Q354-T360 WeakPolarHBondContact CG-OG1 3.38Å
361	I	93	Very high	93.4	Very high	57 Å²	57	70.3 Å²	70.3	29%	0.292	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.3	174.9	64.9	163.8	0	0	0	110.6	L353 L355 Q359 C363	L353-I361 HydrophobicContact CB-CG1 4.35Å; L353-I361 PolarHBondContact N-O 2.79Å; L353-I361 PolarHBondContact O-N 3.06Å; L355-I361 HydrophobicContact CD1-CD1 4.11Å; L355-I361 HydrophobicContact CD1-CG1 4.23Å; L355-I361 HydrophobicContact CD1-CG2 3.84Å; L355-I361 HydrophobicContact CD2-CD1 3.88Å; L355-I361 HydrophobicContact CD2-CG1 4.12Å; L355-I361 HydrophobicContact CG-CD1 4.21Å; L355-I361 HydrophobicContact CG-CG1 4.08Å; L355-I361 HydrophobicContact CG-CG2 4.4Å; Q359-I361 HydrophobicContact CG-CG2 4.38Å; I361-C363 PolarHBondContact O-N 3.49Å
362	E	94	Very high	93.2	Very high	121 Å²	121	74.5 Å²	74.5	57%	0.565	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	110.1	167.4	-79.6	-71.9	145.5	0	0	109	T350	T350-E362 WeakPolarHBondContact CB-OE2 3.47Å; T350-E362 PolarHBondContact OG1-OE2 3.07Å
363	C	95.5	Very high	93.1	Very high	6 Å²	6	75.2 Å²	75.2	4%	0.041	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.8	178.2	-171.8	0	0	0	0	110.1	T350 F351 L353 I361	T350-C363 CarbonylContact C-O 3.57Å; T350-C363 VanDerWaalsContact CA-O 3.22Å; T350-C363 WeakPolarHBondContact CA-O 3.17Å; F351-C363 WeakPolarHBondContact CD1-O 3.14Å; F351-C363 PolarHBondContact N-O 2.98Å; F351-C363 PolarHBondContact O-N 3.21Å; F351-C363 VanDerWaalsContact O-N 3.08Å; L353-C363 HydrophobicContact CB-CB 4.01Å; L353-C363 HydrophobicContact CD2-CB 3.92Å; I361-C363 PolarHBondContact O-N 3.49Å
364	T	97.5	Very high	93.2	Very high	37 Å²	37	80.8 Å²	80.8	23%	0.227	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	150.3	173.5	66.6	0	0	0	0	110.4	Q347 Q349 T350 A366 K367 Y368	Q347-T364 WeakPolarHBondContact O-CG2 3.46Å; Q349-T364 CarbonylContact O-C 3.53Å; Q349-T364 VanDerWaalsContact O-CA 3.29Å; Q349-T364 WeakPolarHBondContact O-CA 3.34Å; T350-T364 HydrophobicContact CG2-CG2 3.75Å; T364-A366 VanDerWaalsContact C-N 3.31Å; T364-A366 PolarHBondContact O-N 3Å; T364-K367 PolarHBondContact O-N 2.98Å; T364-K367 WeakPolarHBondContact OG1-CB 3.37Å; T364-K367 PolarHBondContact OG1-N 2.98Å; T364-Y368 WeakPolarHBondContact O-CB 3.38Å; T364-Y368 PolarHBondContact O-N 3.41Å
365	V	98.1	Very high	93.5	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-59.6	-44	177.4	177.5	0	0	0	0	110.7	Q349 F351 K367 Y368 F369 Y395 P397	Q349-V365 HydrophobicContact CB-CG2 4.27Å; Q349-V365 HydrophobicContact CG-CG2 4.02Å; Q349-V365 PolarHBondContact O-N 3.25Å; F351-V365 HydrophobicContact CD1-CG2 4.11Å; F351-V365 HydrophobicContact CE1-CG2 4.34Å; V365-K367 PolarHBondContact O-N 3.5Å; V365-Y368 PolarHBondContact O-N 3.28Å; V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 3.96Å; V365-F369 WeakPolarHBondContact O-CD2 3.41Å; V365-F369 PolarHBondContact O-N 3.07Å; V365-Y395 HydrophobicContact CG2-CD2 4.18Å; V365-Y395 HydrophobicContact CG2-CG 4.36Å; V365-P397 HydrophobicContact CG1-CG 3.67Å
366	A	97.2	Very high	93.9	Very high	20 Å²	20	80.4 Å²	80.4	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-60	-45	177.5	0	0	0	0	0	112.7	A346 T364 F369 F370 L377	A346-A366 PolarHBondContact O-N 3.48Å; T364-A366 VanDerWaalsContact C-N 3.31Å; T364-A366 PolarHBondContact O-N 3Å; A366-F369 PolarHBondContact O-N 3.32Å; A366-F370 PolarHBondContact O-N 3.14Å; A366-F370 VanDerWaalsContact O-N 3.11Å; A366-L377 HydrophobicContact CB-CD1 3.93Å
367	K	96.9	Very high	94.4	Very high	117 Å²	117	72.6 Å²	72.6	51%	0.509	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-46.3	177.8	179.8	170.1	-179.8	170.5	0	111.4	T364 V365 F369 F370 D371	T364-K367 PolarHBondContact O-N 2.98Å; T364-K367 WeakPolarHBondContact OG1-CB 3.37Å; T364-K367 PolarHBondContact OG1-N 2.98Å; V365-K367 PolarHBondContact O-N 3.5Å; K367-F369 VanDerWaalsContact C-N 3.32Å; K367-F369 PolarHBondContact O-N 3.25Å; K367-F370 PolarHBondContact O-N 3.42Å; K367-F370 VanDerWaalsContact O-N 3.15Å; K367-D371 WeakPolarHBondContact CE-OD2 3.24Å; K367-D371 WeakPolarHBondContact CG-OD2 3.44Å; K367-D371 WeakPolarHBondContact O-CB 3.49Å; K367-D371 PolarHBondContact O-N 3.28Å
368	Y	97.3	Very high	94.7	Very high	43 Å²	43	75.2 Å²	75.2	17%	0.169	37%	0.372	C	S	.	.	H	α-helix	trans	-57.3	-43.5	177.8	173.7	-103.6	0	0	0	112.9	F351 L353 T364 V365 K372 Y373	F351-Y368 HydrophobicContact CE1-CD1 4.42Å; F351-Y368 HydrophobicContact CE1-CG 4.09Å; F351-Y368 HydrophobicContact CZ-CD1 4.01Å; F351-Y368 AromaticContact CZ-CD2 3.72Å; F351-Y368 HydrophobicContact CZ-CD2 3.72Å; F351-Y368 HydrophobicContact CZ-CE1 4.48Å; F351-Y368 HydrophobicContact CZ-CE2 4.21Å; F351-Y368 AromaticContact CZ-CG 3.58Å; F351-Y368 HydrophobicContact CZ-CG 3.58Å; L353-Y368 HydrophobicContact CD1-CD2 4.37Å; L353-Y368 HydrophobicContact CD1-CE2 4.14Å; L353-Y368 HydrophobicContact CD2-CD2 4.23Å; T364-Y368 WeakPolarHBondContact O-CB 3.38Å; T364-Y368 PolarHBondContact O-N 3.41Å; V365-Y368 PolarHBondContact O-N 3.28Å; Y368-K372 HydrophobicContact CD2-CB 4.44Å; Y368-K372 HydrophobicContact CD2-CD 4.35Å; Y368-K372 HydrophobicContact CE1-CD 4.18Å; Y368-K372 HydrophobicContact CE2-CB 4.28Å; Y368-K372 HydrophobicContact CE2-CD 3.42Å; Y368-K372 VanDerWaalsContact CE2-CD 3.42Å; Y368-K372 WeakPolarHBondContact O-CB 3.42Å; Y368-K372 PolarHBondContact O-N 2.98Å; Y368-K372 WeakPolarHBondContact OH-CD 3.42Å; Y368-K372 WeakPolarHBondContact OH-CE 3.49Å; Y368-K372 PolarHBondContact OH-NZ 3.5Å; Y368-Y373 HydrophobicContact CD1-CE2 4.48Å; Y368-Y373 AromaticContact CE1-CE2 3.77Å; Y368-Y373 HydrophobicContact CE1-CE2 3.77Å
369	F	97.5	Very high	95.2	Very high	3 Å²	3	74.4 Å²	74.4	1%	0.013	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-34.4	178.5	-89.9	-97.3	0	0	0	112.9	H328 V365 A366 K367 Y373 H374 I375 L377 L396 P397 V400	H328-F369 HydrophobicContact CB-CE1 4.43Å; H328-F369 AromaticContact CD2-CE1 3.75Å; H328-F369 AromaticContact CE1-CE1 3.87Å; H328-F369 AromaticContact CE1-CZ 3.99Å; H328-F369 AromaticContact CG-CE1 3.81Å; H328-F369 AromaticContact ND1-CE1 3.87Å; H328-F369 AromaticContact NE2-CE1 3.81Å; V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 3.96Å; V365-F369 WeakPolarHBondContact O-CD2 3.41Å; V365-F369 PolarHBondContact O-N 3.07Å; A366-F369 PolarHBondContact O-N 3.32Å; K367-F369 VanDerWaalsContact C-N 3.32Å; K367-F369 PolarHBondContact O-N 3.25Å; F369-Y373 AromaticContact CD1-CD2 3.75Å; F369-Y373 HydrophobicContact CD1-CD2 3.75Å; F369-Y373 HydrophobicContact CD1-CE2 4.34Å; F369-Y373 AromaticContact CE1-CD2 3.97Å; F369-Y373 HydrophobicContact CE1-CD2 3.97Å; F369-Y373 HydrophobicContact CE1-CE2 4.16Å; F369-Y373 HydrophobicContact CG-CD2 4.22Å; F369-Y373 HydrophobicContact CZ-CE2 4.43Å; F369-Y373 CarbonylContact O-C 3.57Å; F369-Y373 WeakPolarHBondContact O-CB 3.42Å; F369-Y373 PolarHBondContact O-N 3.18Å; F369-H374 PolarHBondContact O-N 3.43Å; F369-I375 CarbonylContact C-O 3.55Å; F369-I375 PolarHBondContact O-N 2.88Å; F369-I375 VanDerWaalsContact O-N 3.13Å; F369-L377 HydrophobicContact CB-CD2 4.27Å; F369-L377 HydrophobicContact CG-CD2 4.47Å; F369-L396 HydrophobicContact CZ-CD2 4.39Å; F369-P397 HydrophobicContact CD2-CG 3.92Å; F369-P397 HydrophobicContact CE1-CG 4.47Å; F369-P397 HydrophobicContact CE2-CG 3.83Å; F369-P397 HydrophobicContact CG-CG 4.3Å; F369-P397 VanDerWaalsContact CZ-CD 3.45Å; F369-P397 HydrophobicContact CZ-CG 4.12Å; F369-V400 HydrophobicContact CD1-CG1 4.33Å; F369-V400 HydrophobicContact CE1-CB 4.37Å; F369-V400 HydrophobicContact CE1-CG1 4.04Å; F369-V400 HydrophobicContact CE1-CG2 3.79Å; F369-V400 HydrophobicContact CZ-CG2 4Å
370	F	97	Very high	95.5	Very high	108 Å²	108	70.6 Å²	70.6	47%	0.474	34%	0.336	S	S	.	.	H	α-helix	trans	-69	-50.2	173.8	-175.7	-97.7	0	0	0	111.8	A366 K367 H374 I375 Q376	A366-F370 PolarHBondContact O-N 3.14Å; A366-F370 VanDerWaalsContact O-N 3.11Å; K367-F370 PolarHBondContact O-N 3.42Å; K367-F370 VanDerWaalsContact O-N 3.15Å; F370-H374 WeakPolarHBondContact O-CA 3.44Å; F370-H374 PolarHBondContact O-N 3.21Å; F370-I375 PolarHBondContact N-O 2.97Å; F370-Q376 HydrophobicContact CD2-CB 4.26Å
371	D	94	Very high	95.7	Very high	84 Å²	84	67.3 Å²	67.3	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-69.4	-43.7	-175.2	-66.7	-12.8	0	0	0	111.9	K367	K367-D371 WeakPolarHBondContact CE-OD2 3.24Å; K367-D371 WeakPolarHBondContact CG-OD2 3.44Å; K367-D371 WeakPolarHBondContact O-CB 3.49Å; K367-D371 PolarHBondContact O-N 3.28Å
372	K	93.1	Very high	95.9	Very high	117 Å²	117	64.7 Å²	64.7	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-87.7	-38.4	-173.4	-174.1	173	-176.6	157.1	0	114.5	Y368	Y368-K372 HydrophobicContact CD2-CB 4.44Å; Y368-K372 HydrophobicContact CD2-CD 4.35Å; Y368-K372 HydrophobicContact CE1-CD 4.18Å; Y368-K372 HydrophobicContact CE2-CB 4.28Å; Y368-K372 HydrophobicContact CE2-CD 3.42Å; Y368-K372 VanDerWaalsContact CE2-CD 3.42Å; Y368-K372 WeakPolarHBondContact O-CB 3.42Å; Y368-K372 PolarHBondContact O-N 2.98Å; Y368-K372 WeakPolarHBondContact OH-CD 3.42Å; Y368-K372 WeakPolarHBondContact OH-CE 3.49Å; Y368-K372 PolarHBondContact OH-NZ 3.5Å
373	Y	94.3	Very high	96.1	Very high	72 Å²	72	59.3 Å²	59.3	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-113.1	-2	-173.6	-57.3	-62.7	0	0	0	112.9	H328 Y368 F369 I375	H328-Y373 AromaticContact CD2-CD2 3.8Å; H328-Y373 AromaticContact CD2-CE2 3.6Å; H328-Y373 AromaticContact CD2-CZ 3.73Å; H328-Y373 AromaticContact NE2-CE2 3.73Å; H328-Y373 AromaticContact NE2-CZ 3.82Å; Y368-Y373 HydrophobicContact CD1-CE2 4.48Å; Y368-Y373 AromaticContact CE1-CE2 3.77Å; Y368-Y373 HydrophobicContact CE1-CE2 3.77Å; F369-Y373 AromaticContact CD1-CD2 3.75Å; F369-Y373 HydrophobicContact CD1-CD2 3.75Å; F369-Y373 HydrophobicContact CD1-CE2 4.34Å; F369-Y373 AromaticContact CE1-CD2 3.97Å; F369-Y373 HydrophobicContact CE1-CD2 3.97Å; F369-Y373 HydrophobicContact CE1-CE2 4.16Å; F369-Y373 HydrophobicContact CG-CD2 4.22Å; F369-Y373 HydrophobicContact CZ-CE2 4.43Å; F369-Y373 CarbonylContact O-C 3.57Å; F369-Y373 WeakPolarHBondContact O-CB 3.42Å; F369-Y373 PolarHBondContact O-N 3.18Å; Y373-I375 PolarHBondContact O-N 3.15Å
374	H	95.3	Very high	96.2	Very high	159 Å²	159	59 Å²	59	74%	0.736	28%	0.276	S	S	*	.			trans	56.1	33.9	-175.3	-51.6	-52.4	0	0	0	112.9	F369 F370	F369-H374 PolarHBondContact O-N 3.43Å; F370-H374 WeakPolarHBondContact O-CA 3.44Å; F370-H374 PolarHBondContact O-N 3.21Å
375	I	95.7	Very high	96.2	Very high	42 Å²	42	57.3 Å²	57.3	22%	0.215	27%	0.265	C	S	.	.			trans	-104.9	109.6	178.6	-61.5	174.9	0	0	0	109.1	H328 F369 F370 Y373 L377	H328-I375 HydrophobicContact CB-CD1 3.47Å; H328-I375 VanDerWaalsContact CB-CD1 3.47Å; F369-I375 CarbonylContact C-O 3.55Å; F369-I375 PolarHBondContact O-N 2.88Å; F369-I375 VanDerWaalsContact O-N 3.13Å; F370-I375 PolarHBondContact N-O 2.97Å; Y373-I375 PolarHBondContact O-N 3.15Å; I375-L377 HydrophobicContact CG2-CD2 4.19Å; I375-L377 PolarHBondContact O-N 3.29Å
376	Q	96.5	Very high	96.2	Very high	159 Å²	159	58.3 Å²	58.3	74%	0.743	27%	0.27	S	S	*	.			trans	-78	113.7	166.2	-173.8	175.4	7.5	0	0	109.4	F370 K378	F370-Q376 HydrophobicContact CD2-CB 4.26Å; Q376-K378 PolarHBondContact O-N 3.11Å
377	L	95.6	Very high	96.2	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.094	26%	0.263	C	S	.	.			trans	-64.4	133.3	-177.3	-60.3	-179.1	0	0	0	111.5	A346 A366 F369 I375 P380 P397 E399	A346-L377 HydrophobicContact CB-CD1 3.9Å; A366-L377 HydrophobicContact CB-CD1 3.93Å; F369-L377 HydrophobicContact CB-CD2 4.27Å; F369-L377 HydrophobicContact CG-CD2 4.47Å; I375-L377 HydrophobicContact CG2-CD2 4.19Å; I375-L377 PolarHBondContact O-N 3.29Å; L377-P380 HydrophobicContact CB-CB 4.36Å; L377-P397 HydrophobicContact CD1-CB 4.15Å; L377-P397 HydrophobicContact CD1-CG 3.83Å; L377-P397 HydrophobicContact CD2-CB 3.98Å; L377-P397 HydrophobicContact CD2-CG 3.91Å; L377-E399 WeakPolarHBondContact CA-OE1 3.05Å; L377-E399 HydrophobicContact CD2-CG 4.06Å; L377-E399 VanDerWaalsContact CD2-OE1 3.26Å; L377-E399 WeakPolarHBondContact CD2-OE1 3.37Å
378	K	94.5	Very high	96	Very high	169 Å²	169	54 Å²	54	74%	0.735	26%	0.261	S	S	*	.	S	Bend	trans	-76.4	-32	175.9	-68	-177.8	-178.5	179.5	0	112.1	Q376 P380 E399	Q376-K378 PolarHBondContact O-N 3.11Å; K378-P380 VanDerWaalsContact O-CD 3.31Å; K378-P380 WeakPolarHBondContact O-CD 3.35Å; K378-E399 PolarHBondContact N-OE1 3.49Å; K378-E399 VanDerWaalsContact N-OE1 3.08Å; K378-E399 PolarHBondContact N-OE2 2.94Å
379	Y	95.8	Very high	95.6	Very high	40 Å²	40	57.2 Å²	57.2	16%	0.157	28%	0.277	C	S	.	.			trans	-121.2	56.5	-176.5	-50.4	-81.4	0	0	0	112.4	I287 L301 S302 H381 L382 E399	I287-Y379 HydrophobicContact CD1-CD2 3.7Å; I287-Y379 HydrophobicContact CD1-CE2 4.13Å; I287-Y379 HydrophobicContact CD1-CG 4.09Å; I287-Y379 HydrophobicContact CG1-CD2 4.12Å; I287-Y379 HydrophobicContact CG1-CE2 4.13Å; I287-Y379 HydrophobicContact CG2-CE2 4.12Å; L301-Y379 HydrophobicContact CB-CE1 4.45Å; S302-Y379 WeakPolarHBondContact OG-CE1 3.34Å; Y379-H381 PolarHBondContact O-N 3.5Å; Y379-H381 VanDerWaalsContact O-N 3.15Å; Y379-L382 HydrophobicContact CD1-CD1 4.31Å; Y379-L382 HydrophobicContact CG-CD1 4.07Å; Y379-L382 PolarHBondContact O-N 2.6Å; Y379-L382 VanDerWaalsContact O-N 3.12Å; Y379-E399 HydrophobicContact CD2-CB 4.03Å; Y379-E399 VanDerWaalsContact CD2-OE2 3.31Å; Y379-E399 WeakPolarHBondContact CD2-OE2 3.43Å; Y379-E399 PolarHBondContact N-OE2 2.82Å
380	P	95.9	Very high	95.2	Very high	35 Å²	35	61.9 Å²	61.9	23%	0.227	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.3	-175.4	30.2	-36.4	0	0	0	113.2	A346 Q347 L377 K378 L382	A346-P380 PolarHBondContact N-O 3.22Å; Q347-P380 HydrophobicContact CB-CB 4.16Å; Q347-P380 WeakPolarHBondContact CG-O 3.48Å; Q347-P380 PolarHBondContact N-O 3.13Å; L377-P380 HydrophobicContact CB-CB 4.36Å; K378-P380 VanDerWaalsContact O-CD 3.31Å; K378-P380 WeakPolarHBondContact O-CD 3.35Å; P380-L382 VanDerWaalsContact C-N 3.34Å
381	H	95.5	Very high	94.9	Very high	7 Å²	7	64.2 Å²	64.2	3%	0.032	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.6	176.6	57.3	-81.5	0	0	0	114.7	L301 E303 R305 S306 P345 Y379	L301-H381 PolarHBondContact O-CE1 2.86Å; L301-H381 PolarHBondContact O-NE2 3.14Å; E303-H381 PolarHBondContact O-NE2 3.18Å; R305-H381 PolarHBondContact O-CD2 3.32Å; R305-H381 VanDerWaalsContact O-CD2 3.23Å; S306-H381 PolarHBondContact OG-O 3.02Å; P345-H381 VanDerWaalsContact CB-C 3.45Å; P345-H381 VanDerWaalsContact CB-O 3.27Å; P345-H381 WeakPolarHBondContact CB-O 3.42Å; Y379-H381 PolarHBondContact O-N 3.5Å; Y379-H381 VanDerWaalsContact O-N 3.15Å
382	L	96.8	Very high	94.7	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	31%	0.314	C	S	.	.	S	Bend	trans	-89.9	152.6	175	-66	-175.4	0	0	0	111.8	I287 L290 L301 L307 P345 A346 Y379 P380	I287-L382 HydrophobicContact CD1-CD1 3.67Å; L290-L382 HydrophobicContact CD2-CD1 3.94Å; L290-L382 HydrophobicContact CD2-CD2 4.38Å; L301-L382 HydrophobicContact CD2-CD2 4.47Å; L307-L382 HydrophobicContact CD2-CD2 4.13Å; L307-L382 HydrophobicContact CG-CD2 4.04Å; P345-L382 CarbonylContact C-O 3.59Å; P345-L382 VanDerWaalsContact CA-O 3.3Å; P345-L382 WeakPolarHBondContact CA-O 3.18Å; A346-L382 PolarHBondContact N-O 2.81Å; Y379-L382 HydrophobicContact CD1-CD1 4.31Å; Y379-L382 HydrophobicContact CG-CD1 4.07Å; Y379-L382 PolarHBondContact O-N 2.6Å; Y379-L382 VanDerWaalsContact O-N 3.12Å; P380-L382 VanDerWaalsContact C-N 3.34Å
383	P	97.2	Very high	94.7	Very high	8 Å²	8	64.8 Å²	64.8	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	160.6	177.2	30.7	-36.2	0	0	0	112.7	L307 V341 T342 P398	L307-P383 HydrophobicContact CD1-CG 4.04Å; V341-P383 HydrophobicContact CG1-CB 3.75Å; V341-P383 HydrophobicContact CG1-CG 3.71Å; T342-P383 WeakPolarHBondContact O-CB 3.48Å; P383-P398 WeakPolarHBondContact O-CD 3.32Å; P383-P398 WeakPolarHBondContact O-CG 3.28Å
384	C	98.3	Very high	94.8	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	154.3	175.4	-60.8	0	0	0	0	111.8	V341 T342 L396	V341-C384 WeakPolarHBondContact CA-O 3.4Å; T342-C384 HydrophobicContact CG2-CB 3.97Å; T342-C384 PolarHBondContact N-O 2.85Å; T342-C384 PolarHBondContact OG1-N 3.07Å; T342-C384 PolarHBondContact OG1-O 2.94Å; C384-L396 WeakPolarHBondContact CA-O 3.16Å
385	L	98.4	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.6	165.7	-51.2	-179.3	0	0	0	108.9	V286 F315 I319 V338 V341 V387 Y395 L396 C401	V286-L385 HydrophobicContact CG1-CD1 4.15Å; V286-L385 HydrophobicContact CG1-CD2 4.47Å; V286-L385 HydrophobicContact CG2-CD1 4.25Å; F315-L385 HydrophobicContact CE1-CD2 4.06Å; F315-L385 HydrophobicContact CZ-CD2 4.09Å; I319-L385 HydrophobicContact CD1-CD1 4.18Å; I319-L385 HydrophobicContact CD1-CD2 3.75Å; V338-L385 HydrophobicContact CG1-CB 4.39Å; V338-L385 HydrophobicContact CG1-CD2 4.48Å; V338-L385 HydrophobicContact CG2-CB 4.42Å; V338-L385 HydrophobicContact CG2-CD1 4.11Å; V341-L385 HydrophobicContact CG2-CD2 4.21Å; L385-V387 HydrophobicContact CB-CG1 4.18Å; L385-Y395 CarbonylContact O-C 3.56Å; L385-Y395 WeakPolarHBondContact O-CA 3.49Å; L385-L396 PolarHBondContact N-O 2.83Å; L385-L396 PolarHBondContact O-N 2.79Å; L385-C401 HydrophobicContact CD1-CB 4.1Å
386	Q	98.1	Very high	95.1	Very high	22 Å²	22	56.7 Å²	56.7	10%	0.103	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	128.3	165.9	-168.1	-174.8	6.9	0	0	108.4	C339 N340 E390 K392 T394 Y395	C339-Q386 PolarHBondContact N-O 2.85Å; C339-Q386 VanDerWaalsContact SG-C 3.58Å; C339-Q386 PolarHBondContact SG-O 3.01Å; N340-Q386 HydrophobicContact CB-CB 3.95Å; N340-Q386 PolarHBondContact N-O 2.8Å; N340-Q386 PolarHBondContact O-N 3.44Å; Q386-E390 PolarHBondContact NE2-O 3.26Å; Q386-K392 PolarHBondContact NE2-O 3.12Å; Q386-T394 WeakPolarHBondContact CA-O 3.42Å; Q386-Y395 HydrophobicContact CB-CD1 4.07Å; Q386-Y395 HydrophobicContact CB-CE1 4.08Å; Q386-Y395 HydrophobicContact CG-CD1 4.08Å; Q386-Y395 HydrophobicContact CG-CE1 3.79Å
387	V	97.1	Very high	95.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.2	-173.6	-58.8	0	0	0	0	113.5	Y336 R337 V338 L385 T394 L396	Y336-V387 HydrophobicContact CD1-CB 4.43Å; Y336-V387 HydrophobicContact CD1-CG2 3.85Å; Y336-V387 HydrophobicContact CE1-CG2 4.49Å; Y336-V387 HydrophobicContact CG-CB 4.27Å; Y336-V387 HydrophobicContact CG-CG2 3.85Å; R337-V387 WeakPolarHBondContact O-CA 3.26Å; V338-V387 HydrophobicContact CG2-CG1 4.15Å; L385-V387 HydrophobicContact CB-CG1 4.18Å; V387-T394 HydrophobicContact CG2-CG2 3.61Å; V387-T394 PolarHBondContact N-O 3.33Å; V387-L396 HydrophobicContact CG1-CD1 4.02Å; V387-L396 HydrophobicContact CG2-CD1 3.82Å; V387-L396 HydrophobicContact CG2-CG 4.12Å
388	G	91.9	Very high	95.2	Very high	45 Å²	45	48.6 Å²	48.6	46%	0.464	24%	0.24	S	C	.	.	S	Bend	trans	83.1	-127.3	178.9	0	0	0	0	0	112.4	R337	R337-G388 PolarHBondContact O-N 3.31Å
389	Q	89.9	Confident	95.3	Very high	110 Å²	110	42.6 Å²	42.6	51%	0.514	22%	0.215	S	C	.	.			trans	-79.6	128	179.1	-69.8	175.7	-10.5	0	0	109.6	Q391 K392	Q389-Q391 PolarHBondContact O-N 3.31Å; Q389-K392 HydrophobicContact CB-CB 4.3Å; Q389-K392 HydrophobicContact CB-CD 4.33Å; Q389-K392 HydrophobicContact CB-CG 4.12Å; Q389-K392 PolarHBondContact O-N 3.37Å
390	E	88.8	Confident	95.3	Very high	101 Å²	101	41 Å²	41	47%	0.472	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.8	179.6	-75.5	-174	169.2	0	0	112.8	K320 C339 Q386 K392	K320-E390 IonicContact NZ-OE1 2.6Å; K320-E390 PolarHBondContact NZ-OE1 3.02Å; C339-E390 HydrophobicContact CB-CG 3.42Å; C339-E390 VanDerWaalsContact CB-CG 3.42Å; Q386-E390 PolarHBondContact NE2-O 3.26Å; E390-K392 VanDerWaalsContact C-N 3.27Å; E390-K392 PolarHBondContact O-N 3.47Å
391	Q	89.4	Confident	95.4	Very high	158 Å²	158	39.3 Å²	39.3	74%	0.738	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.6	176.2	-54	85.7	-0.9	0	0	113.7	Q389	Q389-Q391 PolarHBondContact O-N 3.31Å
392	K	91.3	Very high	95.5	Very high	115 Å²	115	40.8 Å²	40.8	50%	0.5	21%	0.207	S	C	.	.	S	Bend	trans	-103	160	-179.7	-70.5	-170.2	172.9	-179.8	0	111.8	Q386 Q389 E390 T394	Q386-K392 PolarHBondContact NE2-O 3.12Å; Q389-K392 HydrophobicContact CB-CB 4.3Å; Q389-K392 HydrophobicContact CB-CD 4.33Å; Q389-K392 HydrophobicContact CB-CG 4.12Å; Q389-K392 PolarHBondContact O-N 3.37Å; E390-K392 VanDerWaalsContact C-N 3.27Å; E390-K392 PolarHBondContact O-N 3.47Å; K392-T394 PolarHBondContact O-N 2.76Å
393	H	92.9	Very high	95.6	Very high	97 Å²	97	40.8 Å²	40.8	45%	0.449	21%	0.206	S	C	.	.			trans	-101.3	39.3	-172.4	-45.6	104.4	0	0	0	112.8	F351 Y395	F351-H393 HydrophobicContact CB-CB 4Å; H393-Y395 HydrophobicContact CB-CE2 3.82Å; H393-Y395 WeakPolarHBondContact O-CD2 3.42Å; H393-Y395 PolarHBondContact O-N 3.16Å
394	T	96.3	Very high	95.4	Very high	57 Å²	57	41.1 Å²	41.1	35%	0.35	21%	0.208	S	C	.	.			trans	-85.5	103.1	178.9	-51.6	0	0	0	0	110.2	Q386 V387 K392	Q386-T394 WeakPolarHBondContact CA-O 3.42Å; V387-T394 HydrophobicContact CG2-CG2 3.61Å; V387-T394 PolarHBondContact N-O 3.33Å; K392-T394 PolarHBondContact O-N 2.76Å
395	Y	98.1	Very high	95.1	Very high	37 Å²	37	44.4 Å²	44.4	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	131.3	-178.1	-54.1	-57.5	0	0	0	111.4	T342 Q349 T350 F351 V365 L385 Q386 H393	T342-Y395 HydrophobicContact CG2-CD1 3.56Å; T342-Y395 HydrophobicContact CG2-CE1 3.69Å; T342-Y395 HydrophobicContact CG2-CG 4.37Å; Q349-Y395 HydrophobicContact CG-CD2 4.09Å; Q349-Y395 HydrophobicContact CG-CE2 4.32Å; Q349-Y395 HydrophobicContact CG-CG 4.3Å; T350-Y395 WeakPolarHBondContact O-CE2 3.38Å; F351-Y395 HydrophobicContact CB-CD2 4.02Å; F351-Y395 HydrophobicContact CB-CE2 3.89Å; F351-Y395 HydrophobicContact CD1-CD2 4.49Å; V365-Y395 HydrophobicContact CG2-CD2 4.18Å; V365-Y395 HydrophobicContact CG2-CG 4.36Å; L385-Y395 CarbonylContact O-C 3.56Å; L385-Y395 WeakPolarHBondContact O-CA 3.49Å; Q386-Y395 HydrophobicContact CB-CD1 4.07Å; Q386-Y395 HydrophobicContact CB-CE1 4.08Å; Q386-Y395 HydrophobicContact CG-CD1 4.08Å; Q386-Y395 HydrophobicContact CG-CE1 3.79Å; H393-Y395 HydrophobicContact CB-CE2 3.82Å; H393-Y395 WeakPolarHBondContact O-CD2 3.42Å; H393-Y395 PolarHBondContact O-N 3.16Å
396	L	98	Very high	94.7	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	177	-62.1	176.3	0	0	0	110.3	I326 Y336 F369 C384 L385 V387	I326-L396 HydrophobicContact CG2-CD1 3.81Å; I326-L396 HydrophobicContact CG2-CD2 4.18Å; Y336-L396 HydrophobicContact CD2-CD1 3.97Å; Y336-L396 HydrophobicContact CE2-CD1 4.4Å; F369-L396 HydrophobicContact CZ-CD2 4.39Å; C384-L396 WeakPolarHBondContact CA-O 3.16Å; L385-L396 PolarHBondContact N-O 2.83Å; L385-L396 PolarHBondContact O-N 2.79Å; V387-L396 HydrophobicContact CG1-CD1 4.02Å; V387-L396 HydrophobicContact CG2-CD1 3.82Å; V387-L396 HydrophobicContact CG2-CG 4.12Å
397	P	98	Very high	94.5	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.013	24%	0.242	C	C	.	.			trans	-56.8	138.5	167.7	-24.7	34	0	0	0	111	V365 F369 L377 E399 V400 C401	V365-P397 HydrophobicContact CG1-CG 3.67Å; F369-P397 HydrophobicContact CD2-CG 3.92Å; F369-P397 HydrophobicContact CE1-CG 4.47Å; F369-P397 HydrophobicContact CE2-CG 3.83Å; F369-P397 HydrophobicContact CG-CG 4.3Å; F369-P397 VanDerWaalsContact CZ-CD 3.45Å; F369-P397 HydrophobicContact CZ-CG 4.12Å; L377-P397 HydrophobicContact CD1-CB 4.15Å; L377-P397 HydrophobicContact CD1-CG 3.83Å; L377-P397 HydrophobicContact CD2-CB 3.98Å; L377-P397 HydrophobicContact CD2-CG 3.91Å; P397-E399 HydrophobicContact CB-CG 4.08Å; P397-E399 PolarHBondContact O-N 2.82Å; P397-V400 HydrophobicContact CB-CG2 4.15Å; P397-V400 HydrophobicContact CG-CG2 4.33Å; P397-V400 WeakPolarHBondContact O-CG2 3.26Å; P397-V400 PolarHBondContact O-N 2.8Å; P397-C401 PolarHBondContact O-SG 3.46Å
398	P	97.1	Very high	94.3	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.8	179.3	-26.7	35.6	0	0	0	113.6	V286 I287 P383 V400 C401	V286-P398 HydrophobicContact CB-CB 4.29Å; V286-P398 HydrophobicContact CG1-CB 3.95Å; I287-P398 HydrophobicContact CD1-CB 3.82Å; I287-P398 HydrophobicContact CG1-CB 4.37Å; P383-P398 WeakPolarHBondContact O-CD 3.32Å; P383-P398 WeakPolarHBondContact O-CG 3.28Å; P398-V400 PolarHBondContact O-N 2.97Å; P398-C401 PolarHBondContact O-N 3.44Å
399	E	96.2	Very high	94.4	Very high	43 Å²	43	47.2 Å²	47.2	20%	0.201	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-69	-17.8	-179.7	63.4	178.2	-115.3	0	0	114.8	I287 L377 K378 Y379 P397	I287-E399 HydrophobicContact CD1-CB 4.27Å; I287-E399 HydrophobicContact CG1-CB 3.96Å; L377-E399 WeakPolarHBondContact CA-OE1 3.05Å; L377-E399 HydrophobicContact CD2-CG 4.06Å; L377-E399 VanDerWaalsContact CD2-OE1 3.26Å; L377-E399 WeakPolarHBondContact CD2-OE1 3.37Å; K378-E399 PolarHBondContact N-OE1 3.49Å; K378-E399 VanDerWaalsContact N-OE1 3.08Å; K378-E399 PolarHBondContact N-OE2 2.94Å; Y379-E399 HydrophobicContact CD2-CB 4.03Å; Y379-E399 VanDerWaalsContact CD2-OE2 3.31Å; Y379-E399 WeakPolarHBondContact CD2-OE2 3.43Å; Y379-E399 PolarHBondContact N-OE2 2.82Å; P397-E399 HydrophobicContact CB-CG 4.08Å; P397-E399 PolarHBondContact O-N 2.82Å
400	V	96.8	Very high	94.3	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.036	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-100.5	17	175.7	-58.2	0	0	0	0	112.8	I326 T327 H328 F369 P397 P398	I326-V400 CarbonylContact C-O 3.51Å; I326-V400 WeakPolarHBondContact CA-O 3.36Å; T327-V400 PolarHBondContact N-O 2.95Å; T327-V400 VanDerWaalsContact OG1-C 3.24Å; T327-V400 WeakPolarHBondContact OG1-CA 3.17Å; T327-V400 PolarHBondContact OG1-O 3.13Å; H328-V400 HydrophobicContact CB-CB 4.2Å; H328-V400 HydrophobicContact CB-CG1 4.1Å; F369-V400 HydrophobicContact CD1-CG1 4.33Å; F369-V400 HydrophobicContact CE1-CB 4.37Å; F369-V400 HydrophobicContact CE1-CG1 4.04Å; F369-V400 HydrophobicContact CE1-CG2 3.79Å; F369-V400 HydrophobicContact CZ-CG2 4Å; P397-V400 HydrophobicContact CB-CG2 4.15Å; P397-V400 HydrophobicContact CG-CG2 4.33Å; P397-V400 WeakPolarHBondContact O-CG2 3.26Å; P397-V400 PolarHBondContact O-N 2.8Å; P398-V400 PolarHBondContact O-N 2.97Å
401	C	97.8	Very high	94.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.5	-175	-64.5	0	0	0	0	112.1	V286 C324 E325 L385 P397 P398	V286-C401 HydrophobicContact CB-CB 4.17Å; V286-C401 HydrophobicContact CG2-CB 3.56Å; V286-C401 WeakPolarHBondContact CG2-O 3.12Å; V286-C401 PolarHBondContact N-O 2.98Å; C324-C401 HydrophobicContact CB-CB 4.22Å; E325-C401 WeakPolarHBondContact O-CA 3.48Å; L385-C401 HydrophobicContact CD1-CB 4.1Å; P397-C401 PolarHBondContact O-SG 3.46Å; P398-C401 PolarHBondContact O-N 3.44Å
402	N	97.5	Very high	94.1	Very high	39 Å²	39	45.5 Å²	45.5	21%	0.209	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	166.4	-68.2	-18.4	0	0	0	110.6	M284 P285 C324 E325 T327 V404	M284-N402 CarbonylContact O-C 3.55Å; M284-N402 WeakPolarHBondContact O-CA 3.39Å; P285-N402 WeakPolarHBondContact CA-OD1 3.06Å; C324-N402 CarbonylContact C-O 3.6Å; C324-N402 WeakPolarHBondContact CA-O 3.42Å; C324-N402 WeakPolarHBondContact CB-O 3.48Å; E325-N402 HydrophobicContact CG-CB 3.94Å; E325-N402 PolarHBondContact N-O 3.02Å; E325-N402 PolarHBondContact O-N 3.19Å; T327-N402 WeakPolarHBondContact CG2-ND2 3.42Å; N402-V404 PolarHBondContact O-N 3.11Å
403	I	97.5	Very high	94	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.6	168.4	-59.7	-63	0	0	0	108.7	R282 S283 M284 V286 F289 I319 L322	R282-I403 WeakPolarHBondContact O-CG2 3.37Å; S283-I403 WeakPolarHBondContact CA-O 3.06Å; S283-I403 PolarHBondContact OG-O 2.94Å; M284-I403 HydrophobicContact CG-CG1 4.48Å; M284-I403 PolarHBondContact O-N 3.44Å; V286-I403 HydrophobicContact CG2-CD1 3.85Å; V286-I403 HydrophobicContact CG2-CG1 4.21Å; F289-I403 HydrophobicContact CB-CG1 4.2Å; F289-I403 HydrophobicContact CD1-CD1 4.39Å; F289-I403 HydrophobicContact CD2-CG1 4.31Å; F289-I403 HydrophobicContact CG-CD1 4.34Å; F289-I403 HydrophobicContact CG-CG1 4.16Å; I319-I403 HydrophobicContact CD1-CD1 4.3Å; L322-I403 HydrophobicContact CD1-CD1 4.43Å
404	V	94.4	Very high	93.9	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.2	136.1	-179.3	176.5	0	0	0	0	110.1	K323 E325 K335 N402 Q407	K323-V404 HydrophobicContact CB-CB 4.17Å; K323-V404 HydrophobicContact CB-CG2 4.02Å; K323-V404 PolarHBondContact O-N 2.88Å; K323-V404 VanDerWaalsContact O-N 3.1Å; E325-V404 HydrophobicContact CB-CG2 3.99Å; E325-V404 HydrophobicContact CG-CG2 4.22Å; K335-V404 HydrophobicContact CG-CG2 4.12Å; N402-V404 PolarHBondContact O-N 3.11Å; V404-Q407 WeakPolarHBondContact O-CG 3.3Å; V404-Q407 PolarHBondContact O-NE2 2.86Å
405	P	91.4	Very high	93.4	Very high	69 Å²	69	41.2 Å²	41.2	45%	0.448	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	161.8	178.4	25	-35	0	0	0	113.3	Q407	P405-Q407 VanDerWaalsContact C-N 3.29Å; P405-Q407 PolarHBondContact O-N 3.4Å
406	G	90.4	Very high	93	Very high	23 Å²	23	44.5 Å²	44.5	24%	0.237	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.9	172	0	0	0	0	0	114.7	W255 F280	W255-G406 VanDerWaalsContact CH2-CA 3.43Å; F280-G406 WeakPolarHBondContact CE1-O 3.41Å
407	Q	93.7	Very high	92.8	Very high	26 Å²	26	44.7 Å²	44.7	12%	0.121	24%	0.237	C	C	.	.			trans	-89.6	109.4	175.2	-64.6	-172.3	90.5	0	0	110.8	F280 Y281 K323 V404 P405 C409	F280-Q407 WeakPolarHBondContact CA-O 3.48Å; F280-Q407 VanDerWaalsContact CD1-C 3.4Å; F280-Q407 WeakPolarHBondContact CD1-O 3.48Å; Y281-Q407 HydrophobicContact CD2-CB 4.2Å; Y281-Q407 WeakPolarHBondContact CD2-O 3.17Å; Y281-Q407 PolarHBondContact N-O 3.27Å; K323-Q407 VanDerWaalsContact CB-OE1 3.29Å; K323-Q407 PolarHBondContact O-NE2 3.06Å; V404-Q407 WeakPolarHBondContact O-CG 3.3Å; V404-Q407 PolarHBondContact O-NE2 2.86Å; P405-Q407 VanDerWaalsContact C-N 3.29Å; P405-Q407 PolarHBondContact O-N 3.4Å; Q407-C409 PolarHBondContact O-N 2.82Å
408	R	93.8	Very high	92.5	Very high	69 Å²	69	45.4 Å²	45.4	26%	0.26	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-62.8	135	176.7	179.9	-177.8	175.6	-163.6	-4.2	111	F280 I410	F280-R408 HydrophobicContact CD1-CB 4.3Å; F280-R408 HydrophobicContact CE1-CB 4.01Å; F280-R408 HydrophobicContact CZ-CB 4.29Å; R408-I410 PolarHBondContact O-N 3.36Å
409	C	93.4	Very high	92	Very high	9 Å²	9	48 Å²	48	6%	0.061	26%	0.26	C	S	.	.			trans	-76	111.8	168.1	-175	0	0	0	0	109.7	A279 Y281 Q407	A279-C409 HydrophobicContact CB-CB 3.84Å; A279-C409 PolarHBondContact O-N 2.87Å; Y281-C409 HydrophobicContact CD2-CB 4.33Å; Y281-C409 HydrophobicContact CE2-CB 3.93Å; Q407-C409 PolarHBondContact O-N 2.82Å
410	I	88.4	Confident	91.7	Very high	112 Å²	112	48.5 Å²	48.5	57%	0.574	27%	0.265	S	S	*	.			trans	-94.1	-22.9	176.7	-56.2	172.9	0	0	0	110.7	R408 A660	R408-I410 PolarHBondContact O-N 3.36Å; I410-A660 HydrophobicContact CG2-CB 4.1Å
411	K	86.7	Confident	91.5	Very high	69 Å²	69	49.4 Å²	49.4	30%	0.3	27%	0.27	S	S	.	.	S	Bend	trans	-65.5	149.2	178.7	-63.9	179.8	-173.2	167.8	0	110.1	K317 E318 K320 L413	K317-K411 PolarHBondContact O-NZ 3.36Å; E318-K411 VanDerWaalsContact C-NZ 3.33Å; E318-K411 PolarHBondContact O-NZ 3.49Å; K320-K411 PolarHBondContact O-NZ 3.43Å; K411-L413 PolarHBondContact O-N 2.85Å
412	K	86.1	Confident	90.9	Very high	152 Å²	152	52.9 Å²	52.9	66%	0.661	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-61.8	133.4	177.7	-170.5	178.1	175.6	178.4	0	109.7	R252	R252-K412 PolarHBondContact NH1-O 3.44Å
413	L	89.6	Confident	90.4	Very high	13 Å²	13	60.2 Å²	60.2	7%	0.068	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.9	148.7	172.6	-60.8	-176.8	0	0	0	110.4	L25 L248 A279 K411 Q417 M421	L25-L413 HydrophobicContact CD1-CB 4Å; L25-L413 HydrophobicContact CD2-CD1 4.19Å; L248-L413 HydrophobicContact CD1-CD1 4.4Å; A279-L413 HydrophobicContact CB-CD1 4.29Å; A279-L413 HydrophobicContact CB-CD2 3.9Å; K411-L413 PolarHBondContact O-N 2.85Å; L413-Q417 HydrophobicContact CB-CB 3.92Å; L413-Q417 HydrophobicContact CD2-CB 4.46Å; L413-M421 HydrophobicContact CD1-CB 4.38Å; L413-M421 HydrophobicContact CD1-SD 3.47Å; L413-M421 WeakPolarHBondContact CD1-SD 3.39Å
414	T	90.2	Very high	89.7	Confident	69 Å²	69	61.3 Å²	61.3	42%	0.423	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-66.9	163.1	171	68.5	0	0	0	0	110.4	T416 Q417 T418	T414-T416 PolarHBondContact O-N 3.29Å; T414-Q417 PolarHBondContact O-N 2.8Å; T414-Q417 WeakPolarHBondContact OG1-CB 3.49Å; T414-Q417 VanDerWaalsContact OG1-CG 3.23Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.17Å; T414-Q417 PolarHBondContact OG1-N 2.58Å; T414-Q417 PolarHBondContact OG1-OE1 2.99Å; T414-T418 WeakPolarHBondContact O-CB 3.17Å; T414-T418 PolarHBondContact O-N 2.98Å; T414-T418 PolarHBondContact O-OG1 3.1Å
415	D	87	Confident	89.3	Confident	97 Å²	97	62.7 Å²	62.7	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-36.6	-179.4	-63.3	-24.2	0	0	0	110.7	T418 S419 K582	D415-T418 WeakPolarHBondContact O-CB 3.32Å; D415-T418 PolarHBondContact O-N 3.31Å; D415-S419 PolarHBondContact O-N 2.84Å; D415-K582 IonicContact OD1-NZ 3.46Å; D415-K582 IonicContact OD2-NZ 2.87Å; D415-K582 PolarHBondContact OD2-NZ 2.98Å
416	T	89.6	Confident	89.1	Confident	107 Å²	107	61 Å²	61	66%	0.656	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-50.8	172.8	-50	0	0	0	0	112.2	T414 T418 S419 T420	T414-T416 PolarHBondContact O-N 3.29Å; T416-T418 PolarHBondContact O-N 3.13Å; T416-S419 WeakPolarHBondContact O-CB 3.48Å; T416-S419 PolarHBondContact O-N 3.14Å; T416-S419 VanDerWaalsContact O-N 3.11Å; T416-T420 PolarHBondContact O-N 3.12Å; T416-T420 PolarHBondContact O-OG1 2.83Å
417	Q	92.6	Very high	89.1	Confident	13 Å²	13	63.2 Å²	63.2	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-37.7	177.3	-74.9	167.6	-8.9	0	0	111.9	L248 G249 L413 T414 T420 M421	L248-Q417 HydrophobicContact CB-CG 4.19Å; L248-Q417 VanDerWaalsContact O-CG 3.26Å; L248-Q417 WeakPolarHBondContact O-CG 3.3Å; G249-Q417 PolarHBondContact O-NE2 3.25Å; L413-Q417 HydrophobicContact CB-CB 3.92Å; L413-Q417 HydrophobicContact CD2-CB 4.46Å; T414-Q417 PolarHBondContact O-N 2.8Å; T414-Q417 WeakPolarHBondContact OG1-CB 3.49Å; T414-Q417 VanDerWaalsContact OG1-CG 3.23Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.17Å; T414-Q417 PolarHBondContact OG1-N 2.58Å; T414-Q417 PolarHBondContact OG1-OE1 2.99Å; Q417-T420 PolarHBondContact O-N 3.36Å; Q417-M421 VanDerWaalsContact O-CB 3.27Å; Q417-M421 WeakPolarHBondContact O-CB 3.4Å; Q417-M421 PolarHBondContact O-N 3.04Å
418	T	91.3	Very high	89.2	Confident	18 Å²	18	63 Å²	63	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-45.8	176.1	-55.3	0	0	0	0	111	L25 T414 D415 T416 M421 I422	L25-T418 HydrophobicContact CD1-CG2 4.08Å; L25-T418 WeakPolarHBondContact CD1-OG1 3.34Å; L25-T418 HydrophobicContact CD2-CG2 4.14Å; L25-T418 HydrophobicContact CG-CG2 4.22Å; T414-T418 WeakPolarHBondContact O-CB 3.17Å; T414-T418 PolarHBondContact O-N 2.98Å; T414-T418 PolarHBondContact O-OG1 3.1Å; D415-T418 WeakPolarHBondContact O-CB 3.32Å; D415-T418 PolarHBondContact O-N 3.31Å; T416-T418 PolarHBondContact O-N 3.13Å; T418-M421 PolarHBondContact O-N 3.27Å; T418-I422 HydrophobicContact CG2-CD1 3.89Å; T418-I422 WeakPolarHBondContact O-CB 3.41Å; T418-I422 VanDerWaalsContact O-CG1 3.25Å; T418-I422 WeakPolarHBondContact O-CG1 3.48Å; T418-I422 PolarHBondContact O-N 2.75Å
419	S	88.3	Confident	89.4	Confident	59 Å²	59	59.9 Å²	59.9	41%	0.413	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-46.6	176	-175.1	0	0	0	0	111.7	D415 T416 I422 R423	D415-S419 PolarHBondContact O-N 2.84Å; T416-S419 WeakPolarHBondContact O-CB 3.48Å; T416-S419 PolarHBondContact O-N 3.14Å; T416-S419 VanDerWaalsContact O-N 3.11Å; S419-I422 PolarHBondContact O-N 3.26Å; S419-R423 WeakPolarHBondContact O-CB 3.26Å; S419-R423 PolarHBondContact O-N 3.23Å
420	T	90	Very high	89.5	Confident	52 Å²	52	60.9 Å²	60.9	32%	0.319	32%	0.319	S	S	.	.	H	α-helix	trans	-61.9	-45.7	176.4	-53.3	0	0	0	0	111.4	L248 T416 Q417 I422 R423 A424	L248-T420 HydrophobicContact CD2-CG2 3.98Å; T416-T420 PolarHBondContact O-N 3.12Å; T416-T420 PolarHBondContact O-OG1 2.83Å; Q417-T420 PolarHBondContact O-N 3.36Å; T420-I422 PolarHBondContact O-N 2.79Å; T420-R423 PolarHBondContact O-N 3.03Å; T420-A424 WeakPolarHBondContact O-CB 3.32Å; T420-A424 PolarHBondContact O-N 3.44Å
421	M	90.9	Very high	89.8	Confident	25 Å²	25	59.3 Å²	59.3	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-60.7	-45.2	177.1	-176	179.4	179.8	0	0	111.7	L25 L248 V254 A277 L413 Q417 T418 R423 A424 T425	L25-M421 HydrophobicContact CD2-SD 4.24Å; L248-M421 HydrophobicContact CD2-CB 3.95Å; V254-M421 HydrophobicContact CG2-CG 4.47Å; A277-M421 WeakPolarHBondContact O-CE 3.36Å; L413-M421 HydrophobicContact CD1-CB 4.38Å; L413-M421 HydrophobicContact CD1-SD 3.47Å; L413-M421 WeakPolarHBondContact CD1-SD 3.39Å; Q417-M421 VanDerWaalsContact O-CB 3.27Å; Q417-M421 WeakPolarHBondContact O-CB 3.4Å; Q417-M421 PolarHBondContact O-N 3.04Å; T418-M421 PolarHBondContact O-N 3.27Å; M421-R423 VanDerWaalsContact C-N 3.32Å; M421-R423 PolarHBondContact O-N 2.82Å; M421-A424 PolarHBondContact O-N 2.95Å; M421-T425 HydrophobicContact CG-CG2 4.41Å; M421-T425 WeakPolarHBondContact O-CB 3.37Å; M421-T425 VanDerWaalsContact O-CG2 3.24Å; M421-T425 WeakPolarHBondContact O-CG2 3.45Å; M421-T425 PolarHBondContact O-N 3.42Å; M421-T425 PolarHBondContact O-OG1 3.46Å
422	I	87	Confident	90.2	Very high	73 Å²	73	57.4 Å²	57.4	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-61.7	-43.3	177.2	-71.3	168.3	0	0	0	110.2	T418 S419 T420 T425 A426	T418-I422 HydrophobicContact CG2-CD1 3.89Å; T418-I422 WeakPolarHBondContact O-CB 3.41Å; T418-I422 VanDerWaalsContact O-CG1 3.25Å; T418-I422 WeakPolarHBondContact O-CG1 3.48Å; T418-I422 PolarHBondContact O-N 2.75Å; S419-I422 PolarHBondContact O-N 3.26Å; T420-I422 PolarHBondContact O-N 2.79Å; I422-T425 PolarHBondContact O-N 3.26Å; I422-A426 WeakPolarHBondContact O-CB 3.49Å; I422-A426 PolarHBondContact O-N 2.96Å
423	R	85.2	Confident	90.7	Very high	194 Å²	194	50.8 Å²	50.8	73%	0.732	27%	0.272	S	S	*	.	H	α-helix	trans	-64	-42.7	179	-166.1	179.9	-55.2	-154.1	1.7	112.1	S419 T420 M421 T425	S419-R423 WeakPolarHBondContact O-CB 3.26Å; S419-R423 PolarHBondContact O-N 3.23Å; T420-R423 PolarHBondContact O-N 3.03Å; M421-R423 VanDerWaalsContact C-N 3.32Å; M421-R423 PolarHBondContact O-N 2.82Å; R423-T425 VanDerWaalsContact C-N 3.29Å; R423-T425 PolarHBondContact O-N 3.47Å
424	A	84.5	Confident	91	Very high	23 Å²	23	57.5 Å²	57.5	19%	0.19	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-30.2	179.2	0	0	0	0	0	112.8	T420 M421 R427	T420-A424 WeakPolarHBondContact O-CB 3.32Å; T420-A424 PolarHBondContact O-N 3.44Å; M421-A424 PolarHBondContact O-N 2.95Å; A424-R427 PolarHBondContact O-NH1 2.79Å; A424-R427 PolarHBondContact O-NH2 3.08Å
425	T	86.2	Confident	91.2	Very high	45 Å²	45	57.2 Å²	57.2	28%	0.276	29%	0.29	S	S	.	.	H	α-helix	trans	-108.4	-13.3	-170.1	60.9	0	0	0	0	114.6	V254 F256 A277 M421 I422 R423 R427	V254-T425 HydrophobicContact CG1-CG2 4.18Å; F256-T425 HydrophobicContact CE1-CG2 4.07Å; F256-T425 HydrophobicContact CZ-CG2 4.29Å; A277-T425 HydrophobicContact CB-CG2 3.36Å; M421-T425 HydrophobicContact CG-CG2 4.41Å; M421-T425 WeakPolarHBondContact O-CB 3.37Å; M421-T425 VanDerWaalsContact O-CG2 3.24Å; M421-T425 WeakPolarHBondContact O-CG2 3.45Å; M421-T425 PolarHBondContact O-N 3.42Å; M421-T425 PolarHBondContact O-OG1 3.46Å; I422-T425 PolarHBondContact O-N 3.26Å; R423-T425 VanDerWaalsContact C-N 3.29Å; R423-T425 PolarHBondContact O-N 3.47Å; T425-R427 PolarHBondContact O-N 3.44Å
426	A	86.7	Confident	91.5	Very high	32 Å²	32	52.6 Å²	52.6	26%	0.264	27%	0.266	S	S	.	.			trans	-65.8	121	175.6	0	0	0	0	0	109.8	I422	I422-A426 WeakPolarHBondContact O-CB 3.49Å; I422-A426 PolarHBondContact O-N 2.96Å
427	R	90.6	Very high	91.8	Very high	70 Å²	70	49 Å²	49	26%	0.264	25%	0.245	S	C	.	.			trans	-129.9	135.2	176.2	-64.5	-64.5	-177.2	-95.4	-2.8	109.3	A424 T425 E431 R432 E435 G815 T816	A424-R427 PolarHBondContact O-NH1 2.79Å; A424-R427 PolarHBondContact O-NH2 3.08Å; T425-R427 PolarHBondContact O-N 3.44Å; R427-E431 HydrophobicContact CB-CB 4.16Å; R427-R432 HydrophobicContact CB-CB 4.18Å; R427-E435 WeakPolarHBondContact CD-OE1 3.26Å; R427-E435 IonicContact CZ-OE1 2.82Å; R427-E435 IonicContact NE-OE1 3.77Å; R427-E435 PolarHBondContact NE-OE1 3.01Å; R427-E435 IonicContact NH2-OE1 2.76Å; R427-G815 CarbonylContact O-C 3.57Å; R427-G815 WeakPolarHBondContact O-CA 3.43Å; R427-T816 PolarHBondContact O-N 2.84Å; R427-T816 PolarHBondContact O-OG1 3.02Å
428	S	95.4	Very high	91.7	Very high	22 Å²	22	51.9 Å²	51.9	15%	0.154	26%	0.261	C	S	.	.			trans	-58.5	163	169.9	63.4	0	0	0	0	110.6	E431 R432	S428-E431 WeakPolarHBondContact CB-OE2 3.5Å; S428-E431 PolarHBondContact N-OE2 3.23Å; S428-E431 PolarHBondContact O-N 3.33Å; S428-E431 WeakPolarHBondContact OG-CB 3.43Å; S428-E431 WeakPolarHBondContact OG-CG 3.43Å; S428-E431 PolarHBondContact OG-N 3.47Å; S428-E431 PolarHBondContact OG-OE2 2.92Å; S428-R432 WeakPolarHBondContact O-CB 3.38Å; S428-R432 PolarHBondContact O-N 3.45Å
429	A	96.7	Very high	91.6	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-45.4	-179.3	0	0	0	0	0	112.8	E431 R432 E433 F773 A784 T816	A429-E431 PolarHBondContact O-N 3.34Å; A429-R432 PolarHBondContact O-N 3.48Å; A429-E433 WeakPolarHBondContact O-CB 3.37Å; A429-E433 PolarHBondContact O-N 2.96Å; A429-F773 HydrophobicContact CB-CD1 4.05Å; A429-F773 HydrophobicContact CB-CE1 4.36Å; A429-F773 WeakPolarHBondContact O-CD1 3.45Å; A429-F773 WeakPolarHBondContact O-CE1 3.38Å; A429-A784 PolarHBondContact N-O 3.04Å; A429-T816 HydrophobicContact CB-CG2 4.01Å
430	P	96.6	Very high	91.5	Very high	31 Å²	31	50.1 Å²	50.1	20%	0.201	25%	0.246	C	C	.	.	H	α-helix	trans	-67.7	-34.2	177.8	-21.7	34.7	0	0	0	113.8	R434 F785	P430-R434 WeakPolarHBondContact O-CG 3.46Å; P430-R434 PolarHBondContact O-N 3.42Å; P430-R434 VanDerWaalsContact O-N 3.08Å; P430-R434 PolarHBondContact O-NE 3.48Å; P430-F785 HydrophobicContact CG-CB 3.7Å; P430-F785 HydrophobicContact CG-CG 4.36Å
431	E	95.4	Very high	91.5	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-46.9	173.5	-73.9	166.2	152.4	0	0	111.2	R427 S428 A429 E433 R434 E435	R427-E431 HydrophobicContact CB-CB 4.16Å; S428-E431 WeakPolarHBondContact CB-OE2 3.5Å; S428-E431 PolarHBondContact N-OE2 3.23Å; S428-E431 PolarHBondContact O-N 3.33Å; S428-E431 WeakPolarHBondContact OG-CB 3.43Å; S428-E431 WeakPolarHBondContact OG-CG 3.43Å; S428-E431 PolarHBondContact OG-N 3.47Å; S428-E431 PolarHBondContact OG-OE2 2.92Å; A429-E431 PolarHBondContact O-N 3.34Å; E431-E433 VanDerWaalsContact C-N 3.33Å; E431-E433 PolarHBondContact O-N 3.19Å; E431-R434 PolarHBondContact O-N 3.34Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 2.69Å
432	R	95	Very high	91.2	Very high	29 Å²	29	63.4 Å²	63.4	11%	0.109	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-40.3	178.8	-166.7	170.9	-165.1	-173.9	4.7	112	D274 V275 R427 S428 A429 R434 E435 I436 F773 T816	D274-R432 IonicContact OD1-CZ 2.79Å; D274-R432 IonicContact OD1-NE 3.05Å; D274-R432 PolarHBondContact OD1-NE 2.87Å; D274-R432 IonicContact OD1-NH1 3.73Å; D274-R432 IonicContact OD1-NH2 2.68Å; D274-R432 PolarHBondContact OD1-NH2 2.83Å; D274-R432 IonicContact OD2-CZ 4Å; D274-R432 IonicContact OD2-NH1 2.7Å; D274-R432 IonicContact OD2-NH2 3.71Å; D274-R432 PolarHBondContact OD2-NH2 3Å; V275-R432 HydrophobicContact CG2-CG 3.61Å; V275-R432 PolarHBondContact O-NH2 3.03Å; R427-R432 HydrophobicContact CB-CB 4.18Å; S428-R432 WeakPolarHBondContact O-CB 3.38Å; S428-R432 PolarHBondContact O-N 3.45Å; A429-R432 PolarHBondContact O-N 3.48Å; R432-R434 VanDerWaalsContact C-N 3.35Å; R432-E435 PolarHBondContact O-N 2.96Å; R432-I436 HydrophobicContact CG-CD1 4.11Å; R432-I436 VanDerWaalsContact O-CG1 3.27Å; R432-I436 WeakPolarHBondContact O-CG1 3.18Å; R432-I436 PolarHBondContact O-N 3.33Å; R432-F773 HydrophobicContact CB-CE1 4.41Å; R432-T816 WeakPolarHBondContact CB-OG1 3.39Å; R432-T816 WeakPolarHBondContact CD-OG1 3.41Å
433	E	96.7	Very high	90.9	Very high	13 Å²	13	60.9 Å²	60.9	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-46.9	174.1	-177	175.5	-133.7	0	0	111.8	R96 A429 E431 I436 S437 M462 F773	R96-E433 IonicContact CZ-OE1 3.05Å; R96-E433 IonicContact CZ-OE2 3.7Å; R96-E433 IonicContact NE-OE1 3.88Å; R96-E433 PolarHBondContact NE-OE1 3.13Å; R96-E433 IonicContact NH1-OE1 3.72Å; R96-E433 PolarHBondContact NH1-OE1 3.36Å; R96-E433 IonicContact NH1-OE2 2.56Å; R96-E433 IonicContact NH2-OE1 3.04Å; R96-E433 PolarHBondContact NH2-OE1 2.91Å; R96-E433 IonicContact NH2-OE2 2.91Å; R96-E433 PolarHBondContact NH2-OE2 3.3Å; A429-E433 WeakPolarHBondContact O-CB 3.37Å; A429-E433 PolarHBondContact O-N 2.96Å; E431-E433 VanDerWaalsContact C-N 3.33Å; E431-E433 PolarHBondContact O-N 3.19Å; E433-I436 PolarHBondContact O-N 3.14Å; E433-S437 WeakPolarHBondContact O-CB 3.3Å; E433-S437 PolarHBondContact O-N 2.91Å; E433-S437 PolarHBondContact O-OG 2.89Å; E433-M462 HydrophobicContact CG-CE 3.99Å; E433-M462 HydrophobicContact CG-SD 3.97Å; E433-F773 HydrophobicContact CB-CD1 3.79Å; E433-F773 HydrophobicContact CB-CD2 4.11Å; E433-F773 HydrophobicContact CB-CE1 3.84Å; E433-F773 HydrophobicContact CB-CE2 4.16Å; E433-F773 HydrophobicContact CB-CG 3.93Å; E433-F773 HydrophobicContact CB-CZ 4.04Å; E433-F773 HydrophobicContact CG-CB 4.49Å; E433-F773 HydrophobicContact CG-CD1 4.42Å; E433-F773 HydrophobicContact CG-CD2 3.98Å; E433-F773 HydrophobicContact CG-CE2 4.31Å; E433-F773 HydrophobicContact CG-CG 4.05Å; E433-F773 WeakPolarHBondContact OE1-CB 3.43Å
434	R	96	Very high	90.7	Very high	154 Å²	154	55.3 Å²	55.3	58%	0.581	27%	0.268	S	S	*	.	H	α-helix	trans	-63.4	-43.6	175.8	-73.4	-175.4	-64.3	170.5	1.7	112	P430 E431 R432 I436 S437 N438	P430-R434 WeakPolarHBondContact O-CG 3.46Å; P430-R434 PolarHBondContact O-N 3.42Å; P430-R434 VanDerWaalsContact O-N 3.08Å; P430-R434 PolarHBondContact O-NE 3.48Å; E431-R434 PolarHBondContact O-N 3.34Å; R432-R434 VanDerWaalsContact C-N 3.35Å; R434-I436 PolarHBondContact O-N 2.95Å; R434-S437 PolarHBondContact O-N 3.23Å; R434-N438 VanDerWaalsContact O-CB 3.3Å; R434-N438 WeakPolarHBondContact O-CB 3.15Å; R434-N438 PolarHBondContact O-N 3.04Å; R434-N438 PolarHBondContact O-ND2 3.12Å
435	E	93.2	Very high	90.5	Very high	63 Å²	63	55 Å²	55	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-44.4	177.5	-74.2	-178	174	0	0	111.7	V275 R427 E431 R432 N438 L439	V275-E435 HydrophobicContact CG1-CB 3.95Å; R427-E435 WeakPolarHBondContact CD-OE1 3.26Å; R427-E435 IonicContact CZ-OE1 2.82Å; R427-E435 IonicContact NE-OE1 3.77Å; R427-E435 PolarHBondContact NE-OE1 3.01Å; R427-E435 IonicContact NH2-OE1 2.76Å; E431-E435 WeakPolarHBondContact O-CG 3.49Å; E431-E435 PolarHBondContact O-N 2.69Å; R432-E435 PolarHBondContact O-N 2.96Å; E435-N438 PolarHBondContact O-N 2.95Å; E435-L439 VanDerWaalsContact O-CB 3.3Å; E435-L439 WeakPolarHBondContact O-CB 3.36Å; E435-L439 PolarHBondContact O-N 2.83Å
436	I	94.6	Very high	89.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-46.2	176.3	-64.7	165.3	0	0	0	110.4	N98 F100 I273 V275 R432 E433 R434 N438 L439 V440 M462 F773	N98-I436 HydrophobicContact CB-CD1 4.01Å; N98-I436 HydrophobicContact CB-CG2 4.36Å; F100-I436 HydrophobicContact CE2-CG2 3.99Å; F100-I436 HydrophobicContact CZ-CG2 3.92Å; I273-I436 HydrophobicContact CB-CG2 4.48Å; I273-I436 HydrophobicContact CG2-CG2 4.24Å; V275-I436 HydrophobicContact CG1-CG1 3.92Å; V275-I436 HydrophobicContact CG2-CG1 4.38Å; R432-I436 HydrophobicContact CG-CD1 4.11Å; R432-I436 VanDerWaalsContact O-CG1 3.27Å; R432-I436 WeakPolarHBondContact O-CG1 3.18Å; R432-I436 PolarHBondContact O-N 3.33Å; E433-I436 PolarHBondContact O-N 3.14Å; R434-I436 PolarHBondContact O-N 2.95Å; I436-N438 VanDerWaalsContact C-N 3.33Å; I436-N438 PolarHBondContact O-N 3.31Å; I436-L439 WeakPolarHBondContact O-CB 3.31Å; I436-L439 PolarHBondContact O-N 3.4Å; I436-L439 VanDerWaalsContact O-N 3.12Å; I436-V440 PolarHBondContact O-N 3.14Å; I436-M462 HydrophobicContact CB-CE 3.6Å; I436-M462 HydrophobicContact CD1-CE 4.26Å; I436-M462 HydrophobicContact CG2-CE 3.48Å; I436-M462 VanDerWaalsContact CG2-CE 3.48Å; I436-F773 HydrophobicContact CD1-CE2 4.35Å; I436-F773 HydrophobicContact CD1-CZ 4.02Å
437	S	94	Very high	89.8	Confident	32 Å²	32	58.6 Å²	58.6	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-42	179.4	-57.4	0	0	0	0	111.8	E433 R434 L439 R441	E433-S437 WeakPolarHBondContact O-CB 3.3Å; E433-S437 PolarHBondContact O-N 2.91Å; E433-S437 PolarHBondContact O-OG 2.89Å; R434-S437 PolarHBondContact O-N 3.23Å; S437-L439 VanDerWaalsContact C-N 3.32Å; S437-R441 WeakPolarHBondContact O-CB 3.43Å; S437-R441 PolarHBondContact O-N 3.29Å
438	N	91.9	Very high	89.8	Confident	73 Å²	73	55.5 Å²	55.5	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-65.5	-37	174.8	-72.6	-20.7	0	0	0	111.8	R434 E435 I436 R441 K442	R434-N438 VanDerWaalsContact O-CB 3.3Å; R434-N438 WeakPolarHBondContact O-CB 3.15Å; R434-N438 PolarHBondContact O-N 3.04Å; R434-N438 PolarHBondContact O-ND2 3.12Å; E435-N438 PolarHBondContact O-N 2.95Å; I436-N438 VanDerWaalsContact C-N 3.33Å; I436-N438 PolarHBondContact O-N 3.31Å; N438-R441 PolarHBondContact O-N 3.39Å; N438-K442 WeakPolarHBondContact O-CB 3.46Å; N438-K442 VanDerWaalsContact O-CG 3.28Å; N438-K442 WeakPolarHBondContact O-CG 3.37Å; N438-K442 PolarHBondContact O-N 2.87Å
439	L	88.2	Confident	89.7	Confident	36 Å²	36	56.6 Å²	56.6	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-65.6	-46.4	177.7	-173.4	138.1	0	0	0	111.7	F258 I273 E435 I436 S437 R441 K442 A443	F258-L439 HydrophobicContact CB-CD1 3.6Å; F258-L439 HydrophobicContact CB-CD2 3.67Å; F258-L439 HydrophobicContact CB-CG 4.28Å; F258-L439 HydrophobicContact CD1-CD1 3.83Å; F258-L439 HydrophobicContact CD1-CD2 3.94Å; F258-L439 HydrophobicContact CD1-CG 4.29Å; F258-L439 HydrophobicContact CD2-CD2 4.06Å; F258-L439 HydrophobicContact CG-CD1 3.99Å; F258-L439 HydrophobicContact CG-CD2 3.63Å; F258-L439 HydrophobicContact CG-CG 4.37Å; I273-L439 HydrophobicContact CG2-CD2 3.65Å; E435-L439 VanDerWaalsContact O-CB 3.3Å; E435-L439 WeakPolarHBondContact O-CB 3.36Å; E435-L439 PolarHBondContact O-N 2.83Å; I436-L439 WeakPolarHBondContact O-CB 3.31Å; I436-L439 PolarHBondContact O-N 3.4Å; I436-L439 VanDerWaalsContact O-N 3.12Å; S437-L439 VanDerWaalsContact C-N 3.32Å; L439-R441 VanDerWaalsContact C-N 3.32Å; L439-R441 PolarHBondContact O-N 3.3Å; L439-K442 PolarHBondContact O-N 3.5Å; L439-A443 WeakPolarHBondContact O-CB 3.42Å; L439-A443 PolarHBondContact O-N 3.44Å
440	V	87.8	Confident	89.6	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-41.3	176.9	172.7	0	0	0	0	111.1	F100 I273 I436 K442 A443 D444 F445 P460	F100-V440 HydrophobicContact CD1-CG1 3.99Å; F100-V440 HydrophobicContact CD1-CG2 4.28Å; F100-V440 HydrophobicContact CD2-CG2 4.14Å; F100-V440 HydrophobicContact CE1-CB 4.1Å; F100-V440 HydrophobicContact CE1-CG1 3.92Å; F100-V440 HydrophobicContact CE1-CG2 3.79Å; F100-V440 HydrophobicContact CE2-CG2 3.67Å; F100-V440 HydrophobicContact CG-CG2 4.45Å; F100-V440 HydrophobicContact CZ-CB 4.21Å; F100-V440 HydrophobicContact CZ-CG1 4.47Å; F100-V440 HydrophobicContact CZ-CG2 3.47Å; F100-V440 VanDerWaalsContact CZ-CG2 3.47Å; I273-V440 HydrophobicContact CB-CG2 4.2Å; I273-V440 HydrophobicContact CG1-CG2 4.15Å; I273-V440 HydrophobicContact CG2-CG2 4.04Å; I436-V440 PolarHBondContact O-N 3.14Å; V440-K442 PolarHBondContact O-N 3.32Å; V440-A443 PolarHBondContact O-N 3.11Å; V440-D444 PolarHBondContact O-N 3.39Å; V440-F445 HydrophobicContact CB-CE2 4.44Å; V440-F445 HydrophobicContact CG1-CD2 4.08Å; V440-F445 HydrophobicContact CG1-CE2 4.09Å; V440-F445 HydrophobicContact CG2-CE2 4.3Å; V440-P460 HydrophobicContact CG1-CB 4.27Å
441	R	88.2	Confident	89.4	Confident	181 Å²	181	56.7 Å²	56.7	68%	0.683	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-43.2	174.7	-166.7	-173.8	-53.9	165.9	4.2	112.6	S437 N438 L439 D444	S437-R441 WeakPolarHBondContact O-CB 3.43Å; S437-R441 PolarHBondContact O-N 3.29Å; N438-R441 PolarHBondContact O-N 3.39Å; L439-R441 VanDerWaalsContact C-N 3.32Å; L439-R441 PolarHBondContact O-N 3.3Å; R441-D444 PolarHBondContact O-N 2.83Å
442	K	84.8	Confident	89.3	Confident	175 Å²	175	59.7 Å²	59.7	76%	0.761	30%	0.298	S	S	*	.	H	α-helix	trans	-72	-30.7	178.5	-76.5	179.3	179.7	-174.7	0	113.4	N438 L439 V440 D444	N438-K442 WeakPolarHBondContact O-CB 3.46Å; N438-K442 VanDerWaalsContact O-CG 3.28Å; N438-K442 WeakPolarHBondContact O-CG 3.37Å; N438-K442 PolarHBondContact O-N 2.87Å; L439-K442 PolarHBondContact O-N 3.5Å; V440-K442 PolarHBondContact O-N 3.32Å; K442-D444 PolarHBondContact O-N 2.92Å
443	A	81.3	Confident	89.3	Confident	20 Å²	20	60.8 Å²	60.8	17%	0.165	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-26.9	175.8	0	0	0	0	0	111.3	L439 V440 F445	L439-A443 WeakPolarHBondContact O-CB 3.42Å; L439-A443 PolarHBondContact O-N 3.44Å; V440-A443 PolarHBondContact O-N 3.11Å; A443-F445 VanDerWaalsContact C-N 3.32Å; A443-F445 HydrophobicContact CB-CD2 4.02Å; A443-F445 HydrophobicContact CB-CE1 4.26Å; A443-F445 HydrophobicContact CB-CE2 3.66Å; A443-F445 HydrophobicContact CB-CG 4.46Å; A443-F445 HydrophobicContact CB-CZ 3.79Å; A443-F445 PolarHBondContact O-N 3.17Å
444	D	81.5	Confident	89.2	Confident	77 Å²	77	60.2 Å²	60.2	41%	0.412	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.5	58.4	179.3	-167.5	8	0	0	0	111.4	V440 R441 K442 S446 A447	V440-D444 PolarHBondContact O-N 3.39Å; R441-D444 PolarHBondContact O-N 2.83Å; K442-D444 PolarHBondContact O-N 2.92Å; D444-S446 PolarHBondContact O-N 3.48Å; D444-S446 VanDerWaalsContact O-N 3.08Å; D444-S446 PolarHBondContact OD1-OG 3.16Å; D444-A447 HydrophobicContact CB-CB 4.32Å; D444-A447 WeakPolarHBondContact O-CA 3.37Å; D444-A447 PolarHBondContact O-N 2.84Å; D444-A447 VanDerWaalsContact OD2-CB 3.3Å; D444-A447 WeakPolarHBondContact OD2-CB 3.45Å
445	F	79.1	Confident	89.1	Confident	16 Å²	16	55 Å²	55	7%	0.07	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.3	-24.8	-178.2	-67.5	-73.8	0	0	0	112.8	L271 I273 V440 A443 A447 D448 I458	L271-F445 HydrophobicContact CD2-CE1 4.26Å; L271-F445 HydrophobicContact CD2-CE2 4.19Å; L271-F445 HydrophobicContact CD2-CZ 4.03Å; I273-F445 HydrophobicContact CD1-CZ 4.17Å; V440-F445 HydrophobicContact CB-CE2 4.44Å; V440-F445 HydrophobicContact CG1-CD2 4.08Å; V440-F445 HydrophobicContact CG1-CE2 4.09Å; V440-F445 HydrophobicContact CG2-CE2 4.3Å; A443-F445 VanDerWaalsContact C-N 3.32Å; A443-F445 HydrophobicContact CB-CD2 4.02Å; A443-F445 HydrophobicContact CB-CE1 4.26Å; A443-F445 HydrophobicContact CB-CE2 3.66Å; A443-F445 HydrophobicContact CB-CG 4.46Å; A443-F445 HydrophobicContact CB-CZ 3.79Å; A443-F445 PolarHBondContact O-N 3.17Å; F445-A447 VanDerWaalsContact C-N 3.25Å; F445-A447 PolarHBondContact O-N 3.49Å; F445-D448 WeakPolarHBondContact O-CB 3.44Å; F445-D448 PolarHBondContact O-N 3.35Å; F445-I458 HydrophobicContact CB-CB 4.15Å; F445-I458 HydrophobicContact CB-CD1 3.58Å; F445-I458 HydrophobicContact CB-CG1 4.42Å; F445-I458 HydrophobicContact CD1-CD1 3.83Å; F445-I458 HydrophobicContact CD2-CD1 4.39Å; F445-I458 HydrophobicContact CG-CD1 3.7Å
446	S	74.8	Confident	89.1	Confident	91 Å²	91	52.4 Å²	52.4	64%	0.636	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-61	-31.9	171.2	21.3	0	0	0	0	113.2	D444	D444-S446 PolarHBondContact O-N 3.48Å; D444-S446 VanDerWaalsContact O-N 3.08Å; D444-S446 PolarHBondContact OD1-OG 3.16Å
447	A	84.8	Confident	88.9	Confident	63 Å²	63	54.9 Å²	54.9	52%	0.521	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-91.5	5.5	176.8	0	0	0	0	0	113.1	D444 F445 P449	D444-A447 HydrophobicContact CB-CB 4.32Å; D444-A447 WeakPolarHBondContact O-CA 3.37Å; D444-A447 PolarHBondContact O-N 2.84Å; D444-A447 VanDerWaalsContact OD2-CB 3.3Å; D444-A447 WeakPolarHBondContact OD2-CB 3.45Å; F445-A447 VanDerWaalsContact C-N 3.25Å; F445-A447 PolarHBondContact O-N 3.49Å; A447-P449 WeakPolarHBondContact O-CD 3.5Å; A447-P449 VanDerWaalsContact O-N 3.16Å
448	D	90.5	Very high	88.8	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.027	30%	0.297	C	S	.	.			trans	-69.4	109.4	176.8	-172	-30.7	0	0	0	109.9	L224 F445 F450 A451 H452	L224-D448 WeakPolarHBondContact CB-OD2 3.45Å; L224-D448 HydrophobicContact CD2-CB 4.19Å; F445-D448 WeakPolarHBondContact O-CB 3.44Å; F445-D448 PolarHBondContact O-N 3.35Å; D448-F450 PolarHBondContact O-N 3.27Å; D448-F450 VanDerWaalsContact O-N 3.14Å; D448-F450 WeakPolarHBondContact OD1-CB 3.34Å; D448-F450 PolarHBondContact OD1-N 2.71Å; D448-A451 HydrophobicContact CB-CB 3.94Å; D448-A451 PolarHBondContact O-N 2.87Å; D448-A451 PolarHBondContact OD1-N 2.95Å; D448-H452 WeakPolarHBondContact O-CB 3.33Å; D448-H452 PolarHBondContact O-N 2.78Å
449	P	92.8	Very high	88.8	Confident	44 Å²	44	53.7 Å²	53.7	29%	0.286	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-23.4	-175.9	24.8	-33.4	0	0	0	113.3	R145 A447 E453	R145-P449 PolarHBondContact NH1-O 2.7Å; A447-P449 WeakPolarHBondContact O-CD 3.5Å; A447-P449 VanDerWaalsContact O-N 3.16Å; P449-E453 PolarHBondContact O-N 3.06Å
450	F	94.5	Very high	89	Confident	36 Å²	36	55.8 Å²	55.8	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-84.6	-42.8	178.9	-60.1	-86.1	0	0	0	110.6	R145 V147 H223 L224 D448 H452 E453 F454	R145-F450 HydrophobicContact CB-CD1 3.96Å; R145-F450 HydrophobicContact CB-CE1 4.19Å; V147-F450 HydrophobicContact CG1-CB 3.84Å; V147-F450 HydrophobicContact CG1-CD1 3.97Å; V147-F450 HydrophobicContact CG1-CG 4.25Å; H223-F450 AromaticContact CD2-CD1 3.51Å; H223-F450 AromaticContact CD2-CD2 3.87Å; H223-F450 AromaticContact CD2-CE1 3.41Å; H223-F450 VanDerWaalsContact CD2-CE1 3.41Å; H223-F450 WeakPolarHBondContact CD2-CE1 3.43Å; H223-F450 AromaticContact CD2-CE2 3.79Å; H223-F450 AromaticContact CD2-CG 3.73Å; H223-F450 AromaticContact CD2-CZ 3.56Å; H223-F450 AromaticContact NE2-CE1 3.58Å; H223-F450 AromaticContact NE2-CZ 3.75Å; L224-F450 HydrophobicContact CB-CD2 4.02Å; L224-F450 HydrophobicContact CB-CE2 4.38Å; L224-F450 HydrophobicContact CD1-CD2 4.47Å; L224-F450 HydrophobicContact CD1-CE2 4.15Å; D448-F450 PolarHBondContact O-N 3.27Å; D448-F450 VanDerWaalsContact O-N 3.14Å; D448-F450 WeakPolarHBondContact OD1-CB 3.34Å; D448-F450 PolarHBondContact OD1-N 2.71Å; F450-H452 VanDerWaalsContact C-N 3.28Å; F450-H452 PolarHBondContact O-N 3.22Å; F450-E453 WeakPolarHBondContact O-CB 3.48Å; F450-E453 PolarHBondContact O-N 3.44Å; F450-F454 VanDerWaalsContact O-CD2 3.27Å; F450-F454 WeakPolarHBondContact O-CD2 2.91Å
451	A	93.4	Very high	89.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-62.1	-40	175.7	0	0	0	0	0	111.5	L221 D448 E453 F454 G455 I456	L221-A451 HydrophobicContact CD2-CB 4.09Å; D448-A451 HydrophobicContact CB-CB 3.94Å; D448-A451 PolarHBondContact O-N 2.87Å; D448-A451 PolarHBondContact OD1-N 2.95Å; A451-E453 PolarHBondContact O-N 3.3Å; A451-F454 PolarHBondContact O-N 3.14Å; A451-G455 PolarHBondContact O-N 3.2Å; A451-I456 HydrophobicContact CB-CB 4.49Å; A451-I456 PolarHBondContact O-N 3.42Å
452	H	92.8	Very high	89.7	Confident	142 Å²	142	51.7 Å²	51.7	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-61.9	-41.2	177.3	-175.3	-81.2	0	0	0	113.1	D448 F450 F454 G455	D448-H452 WeakPolarHBondContact O-CB 3.33Å; D448-H452 PolarHBondContact O-N 2.78Å; F450-H452 VanDerWaalsContact C-N 3.28Å; F450-H452 PolarHBondContact O-N 3.22Å; H452-F454 PolarHBondContact O-N 3.47Å; H452-G455 WeakPolarHBondContact O-CA 3.36Å; H452-G455 PolarHBondContact O-N 3.1Å
453	E	94	Very high	90.2	Very high	52 Å²	52	44.7 Å²	44.7	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-53.8	-38.4	175.5	-175.6	82.1	169.4	0	0	111.9	L144 R145 P449 F450 A451 G455	L144-E453 WeakPolarHBondContact CA-OE1 3.38Å; L144-E453 WeakPolarHBondContact CD2-OE1 3.22Å; R145-E453 HydrophobicContact CB-CB 4.36Å; R145-E453 HydrophobicContact CB-CG 4.1Å; R145-E453 PolarHBondContact N-OE1 3.24Å; R145-E453 VanDerWaalsContact N-OE1 3.15Å; P449-E453 PolarHBondContact O-N 3.06Å; F450-E453 WeakPolarHBondContact O-CB 3.48Å; F450-E453 PolarHBondContact O-N 3.44Å; A451-E453 PolarHBondContact O-N 3.3Å; E453-G455 VanDerWaalsContact C-N 3.28Å; E453-G455 PolarHBondContact O-N 3.16Å
454	F	94.8	Very high	91	Very high	1 Å²	1	50 Å²	50	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	5.9	179.2	-71.8	-99.8	0	0	0	113	P105 I109 V147 T156 R157 I220 F450 A451 H452 I456	P105-F454 WeakPolarHBondContact CG-O 3.31Å; I109-F454 HydrophobicContact CB-CE1 4.4Å; I109-F454 HydrophobicContact CG2-CD1 3.86Å; I109-F454 HydrophobicContact CG2-CE1 4.11Å; V147-F454 HydrophobicContact CG1-CE2 3.87Å; V147-F454 HydrophobicContact CG1-CZ 4.49Å; V147-F454 HydrophobicContact CG2-CE2 4.03Å; V147-F454 HydrophobicContact CG2-CZ 3.81Å; T156-F454 VanDerWaalsContact C-CE1 3.49Å; R157-F454 HydrophobicContact CB-CD1 4.24Å; R157-F454 HydrophobicContact CB-CE1 4.4Å; I220-F454 HydrophobicContact CD1-CB 4.08Å; I220-F454 HydrophobicContact CD1-CD1 3.38Å; I220-F454 HydrophobicContact CD1-CD2 4.27Å; I220-F454 HydrophobicContact CD1-CE1 3.78Å; I220-F454 HydrophobicContact CD1-CG 3.64Å; I220-F454 HydrophobicContact CD1-CZ 4.38Å; I220-F454 HydrophobicContact CG1-CD1 4.02Å; I220-F454 HydrophobicContact CG1-CD2 4.15Å; I220-F454 HydrophobicContact CG1-CE1 4.08Å; I220-F454 HydrophobicContact CG1-CE2 4.23Å; I220-F454 HydrophobicContact CG1-CG 4.04Å; I220-F454 HydrophobicContact CG1-CZ 4.18Å; I220-F454 HydrophobicContact CG2-CB 4.34Å; I220-F454 HydrophobicContact CG2-CD2 4.04Å; I220-F454 HydrophobicContact CG2-CG 4.22Å; F450-F454 VanDerWaalsContact O-CD2 3.27Å; F450-F454 WeakPolarHBondContact O-CD2 2.91Å; A451-F454 PolarHBondContact O-N 3.14Å; H452-F454 PolarHBondContact O-N 3.47Å; F454-I456 HydrophobicContact CB-CD1 4.01Å; F454-I456 HydrophobicContact CB-CG1 4.07Å; F454-I456 PolarHBondContact O-N 3.29Å
455	G	93.2	Very high	91.6	Very high	44 Å²	44	46.6 Å²	46.6	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	20	-177.1	0	0	0	0	0	114.1	A451 H452 E453	A451-G455 PolarHBondContact O-N 3.2Å; H452-G455 WeakPolarHBondContact O-CA 3.36Å; H452-G455 PolarHBondContact O-N 3.1Å; E453-G455 VanDerWaalsContact C-N 3.28Å; E453-G455 PolarHBondContact O-N 3.16Å
456	I	93.2	Very high	92.5	Very high	8 Å²	8	54 Å²	54	4%	0.041	31%	0.313	C	S	.	.			trans	-88.4	126.9	-178.2	-62.8	174.6	0	0	0	109.3	V102 R103 I217 I220 L221 A451 F454	V102-I456 HydrophobicContact CG1-CG2 3.53Å; R103-I456 WeakPolarHBondContact O-CA 3.34Å; I217-I456 HydrophobicContact CD1-CD1 3.47Å; I217-I456 VanDerWaalsContact CD1-CD1 3.47Å; I217-I456 HydrophobicContact CD1-CG1 4.41Å; I220-I456 HydrophobicContact CB-CD1 4.31Å; I220-I456 HydrophobicContact CD1-CD1 3.78Å; I220-I456 HydrophobicContact CG2-CD1 3.92Å; L221-I456 HydrophobicContact CD2-CG2 3.98Å; A451-I456 HydrophobicContact CB-CB 4.49Å; A451-I456 PolarHBondContact O-N 3.42Å; F454-I456 HydrophobicContact CB-CD1 4.01Å; F454-I456 HydrophobicContact CB-CG1 4.07Å; F454-I456 PolarHBondContact O-N 3.29Å
457	A	91.8	Very high	93.6	Very high	52 Å²	52	49.9 Å²	49.9	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.1	175.5	0	0	0	0	0	110.9	R103	R103-A457 HydrophobicContact CB-CB 4.36Å; R103-A457 PolarHBondContact N-O 3.11Å; R103-A457 PolarHBondContact O-N 3.25Å; R103-A457 VanDerWaalsContact O-N 3.16Å
458	I	92.2	Very high	94.2	Very high	18 Å²	18	48 Å²	48	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.7	-179.4	-64.9	158.9	0	0	0	108.8	F100 V102 L221 L271 F445 P460	F100-I458 HydrophobicContact CB-CG2 3.99Å; V102-I458 HydrophobicContact CG1-CG1 4.49Å; V102-I458 HydrophobicContact CG2-CG1 4.34Å; L221-I458 HydrophobicContact CD1-CD1 4.29Å; L221-I458 HydrophobicContact CD2-CD1 3.68Å; L271-I458 HydrophobicContact CD2-CD1 3.68Å; L271-I458 HydrophobicContact CD2-CG1 4.31Å; L271-I458 HydrophobicContact CD2-CG2 4.12Å; F445-I458 HydrophobicContact CB-CB 4.15Å; F445-I458 HydrophobicContact CB-CD1 3.58Å; F445-I458 HydrophobicContact CB-CG1 4.42Å; F445-I458 HydrophobicContact CD1-CD1 3.83Å; F445-I458 HydrophobicContact CD2-CD1 4.39Å; F445-I458 HydrophobicContact CG-CD1 3.7Å; I458-P460 WeakPolarHBondContact O-CD 3.33Å
459	N	92.2	Very high	94.6	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	27%	0.266	S	S	.	.			trans	-70.8	121.1	169.8	-176.6	-7.1	0	0	0	109	F100 Q101 T461	F100-N459 WeakPolarHBondContact CB-O 3.33Å; F100-N459 WeakPolarHBondContact CD1-O 3.2Å; Q101-N459 HydrophobicContact CB-CB 4.04Å; Q101-N459 PolarHBondContact O-N 3Å; N459-T461 PolarHBondContact ND2-OG1 3.31Å; N459-T461 PolarHBondContact O-N 2.86Å; N459-T461 PolarHBondContact OD1-N 3.28Å; N459-T461 PolarHBondContact OD1-OG1 2.79Å
460	P	91.9	Very high	94.9	Very high	81 Å²	81	46.6 Å²	46.6	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	-74.5	-6.6	-177.7	31.6	-37.5	0	0	0	113.9	F100 V440 I458	F100-P460 VanDerWaalsContact CE1-O 3.31Å; F100-P460 WeakPolarHBondContact CE1-O 3.46Å; V440-P460 HydrophobicContact CG1-CB 4.27Å; I458-P460 WeakPolarHBondContact O-CD 3.33Å
461	T	94.4	Very high	94.9	Very high	83 Å²	83	49 Å²	49	51%	0.509	28%	0.276	S	S	.	.	S	Bend	trans	-91.6	144.1	177.2	65.1	0	0	0	0	111.9	F100 N459	F100-T461 VanDerWaalsContact CD1-O 3.31Å; F100-T461 WeakPolarHBondContact CD1-O 3.16Å; N459-T461 PolarHBondContact ND2-OG1 3.31Å; N459-T461 PolarHBondContact O-N 2.86Å; N459-T461 PolarHBondContact OD1-N 3.28Å; N459-T461 PolarHBondContact OD1-OG1 2.79Å
462	M	95.9	Very high	95.1	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.069	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-61.3	138.1	171.8	-77.4	-168.3	-172.7	0	0	110.1	R96 A97 N98 F100 E433 I436 E464 F773	R96-M462 HydrophobicContact CB-CB 4.14Å; R96-M462 HydrophobicContact CB-SD 4.34Å; R96-M462 HydrophobicContact CG-CB 4.4Å; A97-M462 VanDerWaalsContact O-CB 3.24Å; A97-M462 WeakPolarHBondContact O-CB 3.42Å; A97-M462 WeakPolarHBondContact O-CG 3.48Å; N98-M462 HydrophobicContact CB-CE 4.25Å; F100-M462 HydrophobicContact CE1-CG 3.88Å; F100-M462 HydrophobicContact CE2-CG 4.41Å; F100-M462 HydrophobicContact CZ-CE 4.27Å; F100-M462 HydrophobicContact CZ-CG 3.6Å; E433-M462 HydrophobicContact CG-CE 3.99Å; E433-M462 HydrophobicContact CG-SD 3.97Å; I436-M462 HydrophobicContact CB-CE 3.6Å; I436-M462 HydrophobicContact CD1-CE 4.26Å; I436-M462 HydrophobicContact CG2-CE 3.48Å; I436-M462 VanDerWaalsContact CG2-CE 3.48Å; M462-E464 PolarHBondContact O-N 2.78Å; M462-F773 HydrophobicContact CE-CD2 4.46Å; M462-F773 HydrophobicContact CE-CE2 3.96Å; M462-F773 HydrophobicContact SD-CD2 3.87Å; M462-F773 HydrophobicContact SD-CE2 3.91Å
463	T	96	Very high	95.2	Very high	28 Å²	28	43.8 Å²	43.8	17%	0.172	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	126.1	177.3	-57.2	0	0	0	0	109.9	A97 H99 M270 V465	A97-T463 PolarHBondContact N-O 3.28Å; A97-T463 PolarHBondContact O-N 2.81Å; H99-T463 WeakPolarHBondContact O-CB 3.49Å; H99-T463 PolarHBondContact O-N 2.91Å; H99-T463 PolarHBondContact O-OG1 2.78Å; M270-T463 HydrophobicContact CE-CG2 3.49Å; M270-T463 VanDerWaalsContact CE-CG2 3.49Å; M270-T463 WeakPolarHBondContact CE-OG1 3.42Å; T463-V465 HydrophobicContact CG2-CG1 3.98Å
464	E	96.5	Very high	95.3	Very high	131 Å²	131	46.2 Å²	46.2	61%	0.612	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.5	167.2	-67.4	-171.3	175.9	0	0	110.4	L95 R96 M462	L95-E464 CarbonylContact O-C 3.45Å; L95-E464 VanDerWaalsContact O-CA 3.25Å; L95-E464 WeakPolarHBondContact O-CA 3.44Å; R96-E464 HydrophobicContact CG-CG 3.95Å; M462-E464 PolarHBondContact O-N 2.78Å
465	V	95.9	Very high	95.4	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.9	179.4	-61	0	0	0	0	110.1	L95 A97 T463 G467 L772 V793 I797	L95-V465 HydrophobicContact CB-CG2 3.77Å; L95-V465 HydrophobicContact CD1-CG2 4.44Å; L95-V465 PolarHBondContact N-O 3.46Å; L95-V465 PolarHBondContact O-N 3.46Å; A97-V465 HydrophobicContact CB-CG1 4.39Å; A97-V465 HydrophobicContact CB-CG2 4.38Å; T463-V465 HydrophobicContact CG2-CG1 3.98Å; V465-G467 PolarHBondContact O-N 3.02Å; V465-L772 HydrophobicContact CG2-CD2 4.2Å; V465-V793 HydrophobicContact CB-CG1 4.44Å; V465-V793 HydrophobicContact CG2-CG1 4.21Å; V465-V793 HydrophobicContact CG2-CG2 4.35Å; V465-I797 HydrophobicContact CG1-CG1 4.35Å; V465-I797 HydrophobicContact CG1-CG2 3.73Å
466	K	96.2	Very high	95.6	Very high	171 Å²	171	45.6 Å²	45.6	74%	0.743	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.2	172.4	-65.1	-178.8	-178.4	178.7	0	108.2	V795	K466-V795 WeakPolarHBondContact O-CG2 3.49Å
467	G	98	Very high	95.8	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	173.2	171	0	0	0	0	0	111.6	I93 V465 T792	I93-G467 VanDerWaalsContact CG2-C 3.43Å; I93-G467 WeakPolarHBondContact CG2-O 3.31Å; I93-G467 PolarHBondContact N-O 2.96Å; I93-G467 PolarHBondContact O-N 3.04Å; V465-G467 PolarHBondContact O-N 3.02Å; G467-T792 CarbonylContact C-O 3.51Å; G467-T792 VanDerWaalsContact CA-O 3.22Å; G467-T792 WeakPolarHBondContact CA-O 3.47Å
468	R	98.6	Very high	96	Very high	23 Å²	23	43.2 Å²	43.2	9%	0.087	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.1	171.3	-67.8	169	-65.5	115.4	-3.6	109.6	G87 E89 R91 T791 T792 D794 D834	G87-R468 WeakPolarHBondContact O-CD 3.13Å; G87-R468 PolarHBondContact O-NE 3.47Å; G87-R468 PolarHBondContact O-NH2 3.22Å; E89-R468 WeakPolarHBondContact O-CD 3.47Å; E89-R468 PolarHBondContact O-NH1 3.37Å; R91-R468 CarbonylContact O-C 3.46Å; R91-R468 VanDerWaalsContact O-CA 3.28Å; R91-R468 WeakPolarHBondContact O-CA 3.31Å; R468-T791 CarbonylContact O-C 3.48Å; R468-T791 VanDerWaalsContact O-CA 3.3Å; R468-T791 WeakPolarHBondContact O-CA 3.29Å; R468-T792 PolarHBondContact N-O 2.96Å; R468-T792 PolarHBondContact O-N 3.26Å; R468-D794 IonicContact CZ-OD1 3.56Å; R468-D794 IonicContact NE-OD1 3.51Å; R468-D794 IonicContact NH2-OD1 3.57Å; R468-D794 PolarHBondContact NH2-OD1 3.42Å; R468-D794 IonicContact NH2-OD2 2.78Å; R468-D794 PolarHBondContact NH2-OD2 3.48Å; R468-D834 IonicContact NH1-OD1 2.81Å; R468-D834 PolarHBondContact NH1-OD1 2.9Å
469	V	98.4	Very high	96	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.085	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	104.7	172.5	-171.6	0	0	0	0	107.8	G90 R91 I93 P788 P789	G90-V469 CarbonylContact C-O 3.58Å; G90-V469 VanDerWaalsContact CA-O 3.23Å; G90-V469 WeakPolarHBondContact CA-O 3.23Å; R91-V469 HydrophobicContact CG-CB 3.78Å; R91-V469 HydrophobicContact CG-CG2 4.21Å; R91-V469 PolarHBondContact N-O 3.5Å; R91-V469 VanDerWaalsContact N-O 3.12Å; R91-V469 PolarHBondContact O-N 2.9Å; I93-V469 HydrophobicContact CB-CG2 4.02Å; I93-V469 HydrophobicContact CD1-CG2 4.15Å; I93-V469 HydrophobicContact CG2-CG2 3.7Å; V469-P788 HydrophobicContact CB-CG 4.47Å; V469-P788 HydrophobicContact CG1-CB 4.21Å; V469-P788 HydrophobicContact CG1-CG 3.99Å; V469-P788 HydrophobicContact CG2-CG 3.6Å; V469-P789 WeakPolarHBondContact CG1-O 3.5Å
470	L	98	Very high	95.9	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.031	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-64.9	146.4	179.5	-61.7	-179.8	0	0	0	111.2	E89 G790 T792 L807 Q837 Y841	E89-L470 HydrophobicContact CB-CD2 4.44Å; E89-L470 WeakPolarHBondContact O-CD2 3.16Å; L470-G790 PolarHBondContact N-O 3.28Å; L470-T792 WeakPolarHBondContact CD1-OG1 3.23Å; L470-T792 WeakPolarHBondContact CG-OG1 3.42Å; L470-L807 HydrophobicContact CD1-CD1 4.33Å; L470-Q837 HydrophobicContact CD1-CB 4.15Å; L470-Y841 HydrophobicContact CB-CD1 3.66Å; L470-Y841 HydrophobicContact CB-CE1 4.02Å; L470-Y841 HydrophobicContact CD1-CD1 4.32Å; L470-Y841 HydrophobicContact CD1-CG 4.45Å; L470-Y841 WeakPolarHBondContact O-CE1 3.11Å
471	S	96	Very high	95.8	Very high	88 Å²	88	53.7 Å²	53.7	62%	0.615	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-74.1	129.4	176.2	-71.1	0	0	0	0	110.8	Q838	S471-Q838 PolarHBondContact O-NE2 3.05Å; S471-Q838 VanDerWaalsContact O-NE2 3.12Å
472	A	96.6	Very high	95.7	Very high	31 Å²	31	56.8 Å²	56.8	26%	0.256	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-65.3	142.8	175.7	0	0	0	0	0	111.1	P487 Y841	A472-P487 HydrophobicContact CB-CB 3.87Å; A472-P487 HydrophobicContact CB-CG 4.07Å; A472-Y841 HydrophobicContact CB-CE1 4.32Å
473	P	96.1	Very high	95.6	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.013	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.3	152.7	176.7	29.9	-35.3	0	0	0	111.6	P487 L635 I639 Q842 H845	P473-P487 WeakPolarHBondContact O-CD 3.37Å; P473-P487 WeakPolarHBondContact O-CG 3.32Å; P473-L635 HydrophobicContact CB-CD2 3.76Å; P473-L635 HydrophobicContact CG-CD2 3.8Å; P473-I639 HydrophobicContact CB-CD1 3.91Å; P473-Q842 HydrophobicContact CB-CG 4Å; P473-Q842 HydrophobicContact CG-CB 4.48Å; P473-Q842 HydrophobicContact CG-CG 4.16Å; P473-H845 VanDerWaalsContact CD-CE1 3.48Å; P473-H845 WeakPolarHBondContact CD-CE1 3.42Å; P473-H845 HydrophobicContact CG-CB 3.91Å
474	K	96.4	Very high	95.6	Very high	102 Å²	102	59.5 Å²	59.5	44%	0.443	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-77.8	137.5	163.5	-59.1	-174.2	-179.9	174.9	0	109.5	V486 L636 I639	K474-V486 HydrophobicContact CG-CG2 4.24Å; K474-L636 HydrophobicContact CB-CB 3.99Å; K474-L636 HydrophobicContact CB-CD2 3.9Å; K474-L636 HydrophobicContact CD-CD2 3.99Å; K474-L636 HydrophobicContact CG-CD2 4.49Å; K474-L636 WeakPolarHBondContact O-CB 3.42Å; K474-L636 PolarHBondContact O-N 2.88Å; K474-I639 HydrophobicContact CB-CD1 4.1Å; K474-I639 HydrophobicContact CG-CD1 4.5Å
475	L	97.1	Very high	95.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.8	176.9	-63.5	166.2	0	0	0	109.6	Y477 T484 A485 P487 W492 I634 L635 H845	L475-Y477 HydrophobicContact CB-CE2 4.5Å; L475-T484 CarbonylContact O-C 3.6Å; L475-T484 VanDerWaalsContact O-CA 3.26Å; L475-T484 WeakPolarHBondContact O-CA 3.24Å; L475-A485 HydrophobicContact CB-CB 4.36Å; L475-A485 PolarHBondContact N-O 2.79Å; L475-A485 PolarHBondContact O-N 3.22Å; L475-P487 HydrophobicContact CD1-CG 4.36Å; L475-W492 HydrophobicContact CD1-CD2 3.64Å; L475-W492 HydrophobicContact CD1-CE3 4.03Å; L475-W492 HydrophobicContact CD1-CG 4.29Å; L475-W492 HydrophobicContact CD1-CH2 3.67Å; L475-W492 HydrophobicContact CD1-CZ2 3.22Å; L475-W492 HydrophobicContact CD1-CZ3 4.03Å; L475-I634 CarbonylContact C-O 3.52Å; L475-I634 WeakPolarHBondContact CA-O 3.36Å; L475-L635 HydrophobicContact CD2-CD2 4.03Å; L475-H845 HydrophobicContact CD2-CB 4.29Å
476	L	97.3	Very high	95.5	Very high	32 Å²	32	57.4 Å²	57.4	17%	0.168	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	176.6	-176	65.3	0	0	0	109.9	K482 T484 S633 I634 L636	L476-K482 HydrophobicContact CD1-CB 4.4Å; L476-K482 WeakPolarHBondContact CD1-O 3.45Å; L476-T484 HydrophobicContact CD1-CG2 3.91Å; L476-S633 WeakPolarHBondContact O-CA 3.49Å; L476-I634 HydrophobicContact CB-CG1 3.88Å; L476-I634 HydrophobicContact CD2-CD1 4.19Å; L476-I634 HydrophobicContact CD2-CG1 4.36Å; L476-I634 PolarHBondContact N-O 3.18Å; L476-I634 PolarHBondContact O-N 2.79Å; L476-L636 HydrophobicContact CB-CD1 4.37Å
477	Y	97.3	Very high	95.5	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.012	27%	0.269	C	S	.	.			trans	-100.7	174.6	171	-80.4	-90	0	0	0	110.3	L475 K482 A483 A485 W492 M494 K497 Q498 N632	L475-Y477 HydrophobicContact CB-CE2 4.5Å; Y477-K482 WeakPolarHBondContact O-CA 3.4Å; Y477-A483 WeakPolarHBondContact CB-O 3.47Å; Y477-A483 PolarHBondContact N-O 2.94Å; Y477-A485 HydrophobicContact CD2-CB 4.15Å; Y477-A485 HydrophobicContact CE2-CB 3.77Å; Y477-W492 AromaticContact CZ-NE1 3.89Å; Y477-W492 PolarHBondContact OH-NE1 3.17Å; Y477-M494 HydrophobicContact CD1-CE 4.45Å; Y477-M494 HydrophobicContact CE1-CE 4.04Å; Y477-M494 HydrophobicContact CE1-CG 3.92Å; Y477-M494 HydrophobicContact CE1-SD 4.03Å; Y477-K497 HydrophobicContact CD1-CB 4.07Å; Y477-K497 HydrophobicContact CD2-CB 4.32Å; Y477-K497 HydrophobicContact CD2-CD 3.7Å; Y477-K497 HydrophobicContact CE2-CD 3.86Å; Y477-K497 HydrophobicContact CG-CB 3.93Å; Y477-K497 HydrophobicContact CG-CD 4.19Å; Y477-Q498 VanDerWaalsContact CB-O 3.29Å; Y477-Q498 WeakPolarHBondContact CB-O 3.21Å; Y477-Q498 VanDerWaalsContact CD1-O 3.31Å; Y477-Q498 WeakPolarHBondContact CD1-O 3.08Å; Y477-N632 WeakPolarHBondContact CD1-O 3.11Å
478	G	95.2	Very high	95.3	Very high	6 Å²	6	55.4 Å²	55.4	6%	0.062	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-105.9	-142.3	-175.7	0	0	0	0	0	112.8	K482 Q498 F499	G478-K482 WeakPolarHBondContact O-CA 3.35Å; G478-K482 PolarHBondContact O-N 3.34Å; G478-Q498 PolarHBondContact N-O 3.17Å; G478-F499 WeakPolarHBondContact CA-O 3.33Å; G478-F499 PolarHBondContact N-O 3.42Å
479	G	91.5	Very high	95	Very high	31 Å²	31	59.3 Å²	59.3	32%	0.32	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	-171.8	-173	0	0	0	0	0	113	T481 K482	G479-T481 VanDerWaalsContact C-N 3.26Å; G479-T481 PolarHBondContact O-N 3.12Å; G479-K482 PolarHBondContact O-N 2.98Å
480	R	90.2	Very high	94.7	Very high	250 Å²	250	58.8 Å²	58.8	94%	0.943	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.3	179.3	-66.5	-176	-178.7	-179.6	0.2	112.7
481	T	89.9	Confident	94.6	Very high	101 Å²	101	60.7 Å²	60.7	62%	0.62	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.3	-175.5	57.9	0	0	0	0	113.6	G479 A483	G479-T481 VanDerWaalsContact C-N 3.26Å; G479-T481 PolarHBondContact O-N 3.12Å; T481-A483 PolarHBondContact O-N 2.9Å; T481-A483 VanDerWaalsContact O-N 3.11Å
482	K	91.8	Very high	94.6	Very high	148 Å²	148	57.3 Å²	57.3	64%	0.643	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	43	45.2	-172.9	-64	-173.4	178.9	-179.7	0	112.2	L476 Y477 G478 G479	L476-K482 HydrophobicContact CD1-CB 4.4Å; L476-K482 WeakPolarHBondContact CD1-O 3.45Å; Y477-K482 WeakPolarHBondContact O-CA 3.4Å; G478-K482 WeakPolarHBondContact O-CA 3.35Å; G478-K482 PolarHBondContact O-N 3.34Å; G479-K482 PolarHBondContact O-N 2.98Å
483	A	94.6	Very high	94.3	Very high	22 Å²	22	58 Å²	58	18%	0.182	30%	0.299	C	S	.	.			trans	-58.3	148.5	-170.9	0	0	0	0	0	111.7	Y477 T481 K497	Y477-A483 WeakPolarHBondContact CB-O 3.47Å; Y477-A483 PolarHBondContact N-O 2.94Å; T481-A483 PolarHBondContact O-N 2.9Å; T481-A483 VanDerWaalsContact O-N 3.11Å; A483-K497 HydrophobicContact CB-CG 3.99Å
484	T	95.2	Very high	94.1	Very high	76 Å²	76	58.8 Å²	58.8	47%	0.466	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.8	171.7	57.2	0	0	0	0	110.6	L475 L476	L475-T484 CarbonylContact O-C 3.6Å; L475-T484 VanDerWaalsContact O-CA 3.26Å; L475-T484 WeakPolarHBondContact O-CA 3.24Å; L476-T484 HydrophobicContact CD1-CG2 3.91Å
485	A	95.8	Very high	93.8	Very high	3 Å²	3	63.1 Å²	63.1	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.8	171	0	0	0	0	0	109.3	L475 Y477 W492 K497	L475-A485 HydrophobicContact CB-CB 4.36Å; L475-A485 PolarHBondContact N-O 2.79Å; L475-A485 PolarHBondContact O-N 3.22Å; Y477-A485 HydrophobicContact CD2-CB 4.15Å; Y477-A485 HydrophobicContact CE2-CB 3.77Å; A485-W492 HydrophobicContact CB-CB 4.24Å; A485-W492 HydrophobicContact CB-CG 4.17Å; A485-K497 HydrophobicContact CB-CD 4.1Å
486	V	94.5	Very high	93.5	Very high	91 Å²	91	66.7 Å²	66.7	55%	0.552	35%	0.354	S	S	*	.			trans	-105.2	112.7	171.4	-173.7	0	0	0	0	107.3	K474 N488	K474-V486 HydrophobicContact CG-CG2 4.24Å; V486-N488 PolarHBondContact O-N 3.4Å
487	P	96	Very high	93.4	Very high	12 Å²	12	66.6 Å²	66.6	8%	0.078	35%	0.352	C	S	.	.			trans	-57.8	128.8	175	-23.3	33.7	0	0	0	110.7	A472 P473 L475 W492	A472-P487 HydrophobicContact CB-CB 3.87Å; A472-P487 HydrophobicContact CB-CG 4.07Å; P473-P487 WeakPolarHBondContact O-CD 3.37Å; P473-P487 WeakPolarHBondContact O-CG 3.32Å; L475-P487 HydrophobicContact CD1-CG 4.36Å; P487-W492 HydrophobicContact CB-CE3 3.92Å; P487-W492 HydrophobicContact CB-CZ3 4.48Å; P487-W492 HydrophobicContact CG-CD2 4.45Å; P487-W492 HydrophobicContact CG-CE3 3.82Å; P487-W492 HydrophobicContact CG-CZ3 4.25Å
488	N	94.4	Very high	93.4	Very high	121 Å²	121	69.8 Å²	69.8	65%	0.647	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-110.8	123.6	171.3	-177.5	20.7	0	0	0	108.6	V486 G490 V491	V486-N488 PolarHBondContact O-N 3.4Å; N488-G490 PolarHBondContact O-N 3.34Å; N488-G490 VanDerWaalsContact O-N 3.13Å; N488-V491 PolarHBondContact N-O 3.05Å; N488-V491 PolarHBondContact O-N 3.42Å; N488-V491 VanDerWaalsContact O-O 3.12Å
489	Q	92.4	Very high	93.6	Very high	106 Å²	106	69.7 Å²	69.7	50%	0.495	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	45.2	-175.4	-62.5	-179.8	-10.8	0	0	112.1	V491 V781 A811	Q489-V491 VanDerWaalsContact C-N 3.31Å; Q489-V491 PolarHBondContact O-N 2.93Å; Q489-V781 HydrophobicContact CB-CG1 4.09Å; Q489-V781 VanDerWaalsContact CD-CG1 3.45Å; Q489-V781 HydrophobicContact CG-CG1 3.98Å; Q489-A811 WeakPolarHBondContact O-CB 3.37Å
490	G	92.8	Very high	93.8	Very high	2 Å²	2	70.9 Å²	70.9	2%	0.021	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	13.3	177.5	0	0	0	0	0	115.7	N488 R852 S853	N488-G490 PolarHBondContact O-N 3.34Å; N488-G490 VanDerWaalsContact O-N 3.13Å; G490-R852 WeakPolarHBondContact O-CA 3.39Å; G490-S853 PolarHBondContact O-N 3.34Å
491	V	95.7	Very high	94.2	Very high	47 Å²	47	62.2 Å²	62.2	29%	0.285	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-131.7	142.9	-179.3	-173.7	0	0	0	0	110.6	N488 Q489 R852	N488-V491 PolarHBondContact N-O 3.05Å; N488-V491 PolarHBondContact O-N 3.42Å; N488-V491 VanDerWaalsContact O-O 3.12Å; Q489-V491 VanDerWaalsContact C-N 3.31Å; Q489-V491 PolarHBondContact O-N 2.93Å; V491-R852 HydrophobicContact CG1-CG 4.33Å; V491-R852 HydrophobicContact CG2-CG 4.37Å; V491-R852 VanDerWaalsContact CG2-NH1 3.34Å
492	W	95.4	Very high	94.5	Very high	17 Å²	17	58.9 Å²	58.9	6%	0.064	32%	0.323	C	S	.	.			trans	-140	179.1	164.4	65.7	101.5	0	0	0	108.9	L475 Y477 A485 P487 H845 T851 R852	L475-W492 HydrophobicContact CD1-CD2 3.64Å; L475-W492 HydrophobicContact CD1-CE3 4.03Å; L475-W492 HydrophobicContact CD1-CG 4.29Å; L475-W492 HydrophobicContact CD1-CH2 3.67Å; L475-W492 HydrophobicContact CD1-CZ2 3.22Å; L475-W492 HydrophobicContact CD1-CZ3 4.03Å; Y477-W492 AromaticContact CZ-NE1 3.89Å; Y477-W492 PolarHBondContact OH-NE1 3.17Å; A485-W492 HydrophobicContact CB-CB 4.24Å; A485-W492 HydrophobicContact CB-CG 4.17Å; P487-W492 HydrophobicContact CB-CE3 3.92Å; P487-W492 HydrophobicContact CB-CZ3 4.48Å; P487-W492 HydrophobicContact CG-CD2 4.45Å; P487-W492 HydrophobicContact CG-CE3 3.82Å; P487-W492 HydrophobicContact CG-CZ3 4.25Å; W492-H845 HydrophobicContact CH2-CB 4.27Å; W492-H845 AromaticContact CZ3-CD2 3.69Å; W492-T851 VanDerWaalsContact CE2-CA 3.44Å; W492-T851 PolarHBondContact N-O 2.9Å; W492-T851 WeakPolarHBondContact O-CB 3.37Å; W492-T851 PolarHBondContact O-OG1 3.24Å; W492-R852 VanDerWaalsContact CH2-C 3.47Å; W492-R852 VanDerWaalsContact CH2-N 3.35Å; W492-R852 VanDerWaalsContact CZ3-CA 3.47Å
493	D	91.2	Very high	94.8	Very high	44 Å²	44	53.1 Å²	53.1	24%	0.235	30%	0.3	C	S	.	.			trans	-137.1	171.6	175.1	68	43.5	0	0	0	112	R495 K497	D493-R495 WeakPolarHBondContact OD1-CB 3.46Å; D493-R495 PolarHBondContact OD1-N 2.92Å; D493-R495 IonicContact OD1-NE 3.46Å; D493-R495 IonicContact OD2-CZ 3.46Å; D493-R495 IonicContact OD2-NE 2.81Å; D493-R495 PolarHBondContact OD2-NE 3.4Å; D493-R495 IonicContact OD2-NH2 2.77Å; D493-R495 PolarHBondContact OD2-NH2 3.02Å; D493-K497 WeakPolarHBondContact O-CD 3.38Å; D493-K497 WeakPolarHBondContact O-CE 3.3Å; D493-K497 PolarHBondContact O-NZ 2.91Å; D493-K497 IonicContact OD1-NZ 3.91Å; D493-K497 PolarHBondContact OD1-NZ 3.45Å
494	M	90.7	Very high	94.9	Very high	19 Å²	19	56.3 Å²	56.3	9%	0.094	31%	0.311	C	S	.	.			trans	-95.4	9.1	177.9	-76.9	-157.7	57	0	0	114.5	Y477 G496 K497 F499 A538 L622 T851	Y477-M494 HydrophobicContact CD1-CE 4.45Å; Y477-M494 HydrophobicContact CE1-CE 4.04Å; Y477-M494 HydrophobicContact CE1-CG 3.92Å; Y477-M494 HydrophobicContact CE1-SD 4.03Å; M494-G496 PolarHBondContact O-N 3.07Å; M494-K497 WeakPolarHBondContact CE-O 3.35Å; M494-K497 PolarHBondContact O-N 3.46Å; M494-F499 HydrophobicContact CE-CD1 3.63Å; M494-F499 HydrophobicContact CE-CE1 3.47Å; M494-F499 VanDerWaalsContact CE-CE1 3.47Å; M494-F499 HydrophobicContact CE-CG 4.38Å; M494-F499 HydrophobicContact CE-CZ 4.13Å; M494-F499 HydrophobicContact SD-CD1 3.97Å; M494-F499 HydrophobicContact SD-CE1 3.36Å; M494-F499 WeakPolarHBondContact SD-CE1 3.38Å; M494-F499 HydrophobicContact SD-CZ 4.14Å; M494-A538 HydrophobicContact CE-CB 3.88Å; M494-L622 HydrophobicContact SD-CD2 3.82Å; M494-T851 HydrophobicContact CG-CG2 3.85Å
495	R	90.2	Very high	95	Very high	194 Å²	194	52.8 Å²	52.8	73%	0.732	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	126.6	179.9	-68	-179.7	-69.3	171.3	-1.2	109.4	D493 K497	D493-R495 WeakPolarHBondContact OD1-CB 3.46Å; D493-R495 PolarHBondContact OD1-N 2.92Å; D493-R495 IonicContact OD1-NE 3.46Å; D493-R495 IonicContact OD2-CZ 3.46Å; D493-R495 IonicContact OD2-NE 2.81Å; D493-R495 PolarHBondContact OD2-NE 3.4Å; D493-R495 IonicContact OD2-NH2 2.77Å; D493-R495 PolarHBondContact OD2-NH2 3.02Å; R495-K497 VanDerWaalsContact C-N 3.28Å; R495-K497 PolarHBondContact O-N 2.92Å; R495-K497 PolarHBondContact O-NZ 2.73Å
496	G	91.3	Very high	95.1	Very high	76 Å²	76	58.5 Å²	58.5	78%	0.784	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	18.2	-176.1	0	0	0	0	0	115	M494	M494-G496 PolarHBondContact O-N 3.07Å
497	K	95.4	Very high	95.2	Very high	30 Å²	30	56 Å²	56	13%	0.13	30%	0.299	C	S	.	.			trans	-128.6	141.9	-176.2	-51.3	179.5	-164.2	68.2	0	110.6	Y477 A483 A485 D493 M494 R495	Y477-K497 HydrophobicContact CD1-CB 4.07Å; Y477-K497 HydrophobicContact CD2-CB 4.32Å; Y477-K497 HydrophobicContact CD2-CD 3.7Å; Y477-K497 HydrophobicContact CE2-CD 3.86Å; Y477-K497 HydrophobicContact CG-CB 3.93Å; Y477-K497 HydrophobicContact CG-CD 4.19Å; A483-K497 HydrophobicContact CB-CG 3.99Å; A485-K497 HydrophobicContact CB-CD 4.1Å; D493-K497 WeakPolarHBondContact O-CD 3.38Å; D493-K497 WeakPolarHBondContact O-CE 3.3Å; D493-K497 PolarHBondContact O-NZ 2.91Å; D493-K497 IonicContact OD1-NZ 3.91Å; D493-K497 PolarHBondContact OD1-NZ 3.45Å; M494-K497 WeakPolarHBondContact CE-O 3.35Å; M494-K497 PolarHBondContact O-N 3.46Å; R495-K497 VanDerWaalsContact C-N 3.28Å; R495-K497 PolarHBondContact O-N 2.92Å; R495-K497 PolarHBondContact O-NZ 2.73Å
498	Q	97.6	Very high	95.3	Very high	69 Å²	69	55.6 Å²	55.6	32%	0.322	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-111.7	151	175.1	-69.2	-177.8	-30.8	0	0	110.3	Y477 G478 D537 A538	Y477-Q498 VanDerWaalsContact CB-O 3.29Å; Y477-Q498 WeakPolarHBondContact CB-O 3.21Å; Y477-Q498 VanDerWaalsContact CD1-O 3.31Å; Y477-Q498 WeakPolarHBondContact CD1-O 3.08Å; G478-Q498 PolarHBondContact N-O 3.17Å; Q498-D537 WeakPolarHBondContact CG-O 3.2Å; Q498-A538 CarbonylContact C-O 3.59Å; Q498-A538 VanDerWaalsContact CA-O 3.31Å; Q498-A538 WeakPolarHBondContact CA-O 3.48Å
499	F	98.1	Very high	95.5	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.018	27%	0.265	C	S	.	.			trans	-52.5	145.4	177.3	-64.1	-47.2	0	0	0	112.1	G478 M494 T501 A538 M540 C621 L622 N625 N632	G478-F499 WeakPolarHBondContact CA-O 3.33Å; G478-F499 PolarHBondContact N-O 3.42Å; M494-F499 HydrophobicContact CE-CD1 3.63Å; M494-F499 HydrophobicContact CE-CE1 3.47Å; M494-F499 VanDerWaalsContact CE-CE1 3.47Å; M494-F499 HydrophobicContact CE-CG 4.38Å; M494-F499 HydrophobicContact CE-CZ 4.13Å; M494-F499 HydrophobicContact SD-CD1 3.97Å; M494-F499 HydrophobicContact SD-CE1 3.36Å; M494-F499 WeakPolarHBondContact SD-CE1 3.38Å; M494-F499 HydrophobicContact SD-CZ 4.14Å; F499-T501 VanDerWaalsContact C-N 3.25Å; F499-T501 PolarHBondContact O-N 3.33Å; F499-A538 HydrophobicContact CD2-CB 4.3Å; F499-A538 VanDerWaalsContact CD2-O 3.24Å; F499-A538 WeakPolarHBondContact CD2-O 3.29Å; F499-A538 HydrophobicContact CE2-CB 3.79Å; F499-A538 WeakPolarHBondContact CG-O 3.45Å; F499-A538 HydrophobicContact CZ-CB 3.97Å; F499-A538 PolarHBondContact N-O 3.12Å; F499-M540 HydrophobicContact CD2-CB 3.8Å; F499-M540 HydrophobicContact CE2-CB 3.74Å; F499-M540 HydrophobicContact CE2-SD 4.34Å; F499-C621 HydrophobicContact CE2-CB 4.37Å; F499-C621 HydrophobicContact CZ-CB 4.13Å; F499-L622 HydrophobicContact CE1-CD2 3.64Å; F499-L622 HydrophobicContact CE1-CG 4.48Å; F499-L622 HydrophobicContact CZ-CD2 4.3Å; F499-N625 HydrophobicContact CD2-CB 3.98Å; F499-N625 HydrophobicContact CE2-CB 3.77Å; F499-N625 HydrophobicContact CZ-CB 4.26Å; F499-N632 VanDerWaalsContact CA-O 3.31Å; F499-N632 WeakPolarHBondContact CA-O 3.45Å; F499-N632 HydrophobicContact CD1-CB 3.82Å; F499-N632 HydrophobicContact CE1-CB 4.11Å
500	H	97.7	Very high	95.8	Very high	56 Å²	56	44.8 Å²	44.8	26%	0.259	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-47.4	175.1	-179.8	-82.2	0	0	0	111.6	V631 N632	H500-V631 HydrophobicContact CB-CB 4.35Å; H500-V631 HydrophobicContact CB-CG1 3.98Å; H500-V631 WeakPolarHBondContact CB-O 3.32Å; H500-V631 PolarHBondContact N-O 2.95Å; H500-V631 VanDerWaalsContact N-O 3.13Å; H500-N632 PolarHBondContact N-O 3.46Å
501	T	97.3	Very high	96	Very high	69 Å²	69	44.7 Å²	44.7	42%	0.423	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-135.6	96.1	172	-49.5	0	0	0	0	107.5	F499 N625 G630 V631	F499-T501 VanDerWaalsContact C-N 3.25Å; F499-T501 PolarHBondContact O-N 3.33Å; T501-N625 PolarHBondContact O-ND2 3.02Å; T501-G630 CarbonylContact O-C 3.58Å; T501-G630 VanDerWaalsContact O-CA 3.28Å; T501-G630 WeakPolarHBondContact O-CA 3.35Å; T501-V631 PolarHBondContact N-O 3.11Å; T501-V631 PolarHBondContact O-N 3.34Å
502	G	96.5	Very high	96.1	Very high	31 Å²	31	42.5 Å²	42.5	32%	0.32	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-84.9	136.6	175.6	0	0	0	0	0	111.7	G539 N625	G502-G539 WeakPolarHBondContact CA-O 3.43Å; G502-N625 WeakPolarHBondContact CA-OD1 3.43Å
503	V	97.1	Very high	96.2	Very high	27 Å²	27	42.3 Å²	42.3	16%	0.164	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-87	133.5	176.2	-178.8	0	0	0	0	110.2	M540 N625 L628	V503-M540 WeakPolarHBondContact O-CA 3.35Å; V503-M540 WeakPolarHBondContact O-CG 3.48Å; V503-N625 PolarHBondContact N-OD1 2.9Å; V503-L628 HydrophobicContact CB-CB 4.14Å; V503-L628 HydrophobicContact CG1-CB 3.92Å; V503-L628 HydrophobicContact CG1-CD1 4.29Å; V503-L628 HydrophobicContact CG2-CB 4.03Å
504	E	97.6	Very high	96.4	Very high	88 Å²	88	40.3 Å²	40.3	41%	0.411	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-79.7	124.8	168.8	-175.6	-174.5	-178.3	0	0	110	K506 P541 V543 Q573	E504-K506 HydrophobicContact CG-CG 4.17Å; E504-K506 WeakPolarHBondContact OE1-CE 3.25Å; E504-K506 IonicContact OE1-NZ 3.25Å; E504-K506 WeakPolarHBondContact OE2-CE 3.5Å; E504-K506 IonicContact OE2-NZ 2.71Å; E504-K506 PolarHBondContact OE2-NZ 3.42Å; E504-P541 HydrophobicContact CB-CG 4.23Å; E504-P541 HydrophobicContact CG-CG 4.12Å; E504-V543 HydrophobicContact CG-CG2 3.91Å; E504-Q573 PolarHBondContact O-NE2 3.49Å
505	I	97.8	Very high	96.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-105.5	107	-178.3	-52.4	-178	0	0	0	108.8	W508 M540 P541 V542 V543 L574 I624 L628	I505-W508 HydrophobicContact CG2-CB 3.81Å; I505-W508 HydrophobicContact CG2-CG 4.04Å; I505-M540 HydrophobicContact CD1-CE 3.86Å; I505-M540 HydrophobicContact CD1-CG 4.19Å; I505-M540 HydrophobicContact CD1-SD 3.96Å; I505-M540 HydrophobicContact CG1-CG 4.45Å; I505-P541 PolarHBondContact N-O 3.34Å; I505-V542 HydrophobicContact CB-CG2 4.15Å; I505-V542 HydrophobicContact CD1-CG2 3.98Å; I505-V542 HydrophobicContact CG1-CG2 4.41Å; I505-V543 PolarHBondContact O-N 3.07Å; I505-L574 HydrophobicContact CD1-CD2 4.44Å; I505-I624 HydrophobicContact CD1-CG2 3.54Å; I505-L628 HydrophobicContact CD1-CD1 3.45Å; I505-L628 VanDerWaalsContact CD1-CD1 3.45Å; I505-L628 HydrophobicContact CG1-CD1 3.61Å
506	K	96.5	Very high	96.8	Very high	123 Å²	123	40.8 Å²	40.8	54%	0.535	23%	0.226	S	C	.	.			trans	-99.1	-45.6	-177.7	-60.3	179.9	-179.6	179.2	0	112.4	E504	E504-K506 HydrophobicContact CG-CG 4.17Å; E504-K506 WeakPolarHBondContact OE1-CE 3.25Å; E504-K506 IonicContact OE1-NZ 3.25Å; E504-K506 WeakPolarHBondContact OE2-CE 3.5Å; E504-K506 IonicContact OE2-NZ 2.71Å; E504-K506 PolarHBondContact OE2-NZ 3.42Å
507	V	97.4	Very high	96.8	Very high	40 Å²	40	43.9 Å²	43.9	24%	0.242	22%	0.22	C	C	.	.	S	Bend	trans	-118.6	109.5	-175.8	-172	0	0	0	0	109.4	F569 I572 Q573	V507-F569 HydrophobicContact CG1-CB 4.08Å; V507-I572 HydrophobicContact CG1-CB 4.22Å; V507-I572 HydrophobicContact CG1-CG1 4.44Å; V507-Q573 VanDerWaalsContact N-OE1 3.17Å; V507-Q573 WeakPolarHBondContact O-CB 3.35Å; V507-Q573 PolarHBondContact O-N 2.93Å
508	W	98.1	Very high	96.7	Very high	3 Å²	3	47.9 Å²	47.9	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155	-177.5	70.1	-72.4	0	0	0	111.8	I505 I510 T528 L532 V542 P546 C547 L574 V576	I505-W508 HydrophobicContact CG2-CB 3.81Å; I505-W508 HydrophobicContact CG2-CG 4.04Å; W508-I510 HydrophobicContact CE3-CG1 4.21Å; W508-I510 HydrophobicContact CH2-CD1 3.91Å; W508-I510 HydrophobicContact CH2-CG1 4.19Å; W508-I510 HydrophobicContact CZ3-CD1 3.7Å; W508-I510 HydrophobicContact CZ3-CG1 3.52Å; W508-T528 HydrophobicContact CH2-CG2 3.71Å; W508-T528 HydrophobicContact CZ2-CG2 3.95Å; W508-L532 HydrophobicContact CH2-CD1 4.41Å; W508-L532 HydrophobicContact CZ2-CD1 3.94Å; W508-V542 HydrophobicContact CD2-CG1 4.22Å; W508-V542 HydrophobicContact CG-CG1 4.43Å; W508-V542 HydrophobicContact CZ2-CG1 3.85Å; W508-V542 VanDerWaalsContact NE1-CG1 3.3Å; W508-P546 HydrophobicContact CD2-CB 4.01Å; W508-P546 HydrophobicContact CE3-CB 4.06Å; W508-P546 HydrophobicContact CH2-CB 3.95Å; W508-P546 HydrophobicContact CH2-CG 4.05Å; W508-P546 HydrophobicContact CZ2-CB 3.88Å; W508-P546 VanDerWaalsContact CZ2-CD 3.48Å; W508-P546 HydrophobicContact CZ2-CG 4.1Å; W508-P546 HydrophobicContact CZ3-CB 4.04Å; W508-P546 HydrophobicContact CZ3-CG 4.5Å; W508-P546 CarbonylContact O-C 3.56Å; W508-P546 VanDerWaalsContact O-CA 3.24Å; W508-P546 WeakPolarHBondContact O-CA 3.49Å; W508-C547 PolarHBondContact O-N 3.07Å; W508-C547 PolarHBondContact O-SG 2.76Å; W508-L574 CarbonylContact C-O 3.57Å; W508-L574 VanDerWaalsContact CA-O 3.23Å; W508-L574 WeakPolarHBondContact CA-O 3.43Å; W508-L574 HydrophobicContact CB-CB 4.18Å; W508-V576 HydrophobicContact CE3-CG2 4.13Å; W508-V576 HydrophobicContact CZ3-CG2 4.21Å
509	A	98.3	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.2	-175.6	0	0	0	0	0	112.6	F548 L565 I572 L574 V576	A509-F548 CarbonylContact C-O 3.47Å; A509-F548 WeakPolarHBondContact CA-O 3.46Å; A509-F548 HydrophobicContact CB-CB 3.96Å; A509-F548 HydrophobicContact CB-CD1 4.43Å; A509-L565 HydrophobicContact CB-CD1 4.21Å; A509-L565 HydrophobicContact CB-CD2 4.04Å; A509-I572 HydrophobicContact CB-CD1 4.1Å; A509-L574 PolarHBondContact N-O 3.44Å; A509-V576 PolarHBondContact O-N 2.91Å
510	I	98.3	Very high	96.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.7	170.4	-59.9	-178.2	0	0	0	109.7	W508 L524 T528 P546 F548 C549 K550 V576 V578	W508-I510 HydrophobicContact CE3-CG1 4.21Å; W508-I510 HydrophobicContact CH2-CD1 3.91Å; W508-I510 HydrophobicContact CH2-CG1 4.19Å; W508-I510 HydrophobicContact CZ3-CD1 3.7Å; W508-I510 HydrophobicContact CZ3-CG1 3.52Å; I510-L524 HydrophobicContact CG2-CD2 4.35Å; I510-T528 WeakPolarHBondContact CD1-OG1 3.38Å; I510-P546 HydrophobicContact CD1-CB 4.49Å; I510-P546 HydrophobicContact CD1-CG 4.06Å; I510-P546 HydrophobicContact CG1-CB 4.14Å; I510-P546 HydrophobicContact CG1-CG 4.22Å; I510-F548 PolarHBondContact N-O 2.79Å; I510-C549 HydrophobicContact CB-CB 4.36Å; I510-C549 WeakPolarHBondContact O-CA 3.45Å; I510-K550 PolarHBondContact O-N 3.48Å; I510-V576 CarbonylContact C-O 3.6Å; I510-V576 WeakPolarHBondContact CA-O 3.42Å; I510-V576 HydrophobicContact CG1-CB 4.34Å; I510-V578 HydrophobicContact CG2-CG2 4.39Å
511	A	98	Very high	96.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.4	169.8	0	0	0	0	0	109.7	F513 M561 I575 V576 I577 V578	A511-F513 HydrophobicContact CB-CE2 4.01Å; A511-M561 HydrophobicContact CB-SD 3.7Å; A511-I575 HydrophobicContact CB-CG2 4.36Å; A511-V576 PolarHBondContact N-O 3.15Å; A511-I577 CarbonylContact O-C 3.32Å; A511-I577 WeakPolarHBondContact O-CA 3.44Å; A511-V578 PolarHBondContact O-N 3.44Å
512	C	98	Very high	96.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	106.4	-177.1	-169.2	0	0	0	0	111.5	A514 L524 K550 Y551 A552 V578	C512-A514 VanDerWaalsContact C-N 3.31Å; C512-L524 HydrophobicContact CB-CD1 4.27Å; C512-K550 PolarHBondContact N-O 3.33Å; C512-Y551 HydrophobicContact CB-CD1 3.71Å; C512-Y551 HydrophobicContact CB-CE1 3.97Å; C512-Y551 HydrophobicContact CB-CG 4.43Å; C512-Y551 CarbonylContact O-C 3.53Å; C512-Y551 VanDerWaalsContact O-CA 3.26Å; C512-Y551 WeakPolarHBondContact O-CA 3.37Å; C512-A552 PolarHBondContact O-N 2.88Å; C512-V578 HydrophobicContact CB-CB 4.28Å
513	F	97.4	Very high	96.4	Very high	14 Å²	14	55.5 Å²	55.5	6%	0.061	26%	0.264	C	S	.	.			trans	-90.6	5.7	175.1	-71.6	-97.9	0	0	0	113.3	A511 A552 G554 Q557 V558 I577 V578 L579 P580 V585	A511-F513 HydrophobicContact CB-CE2 4.01Å; F513-A552 WeakPolarHBondContact CA-O 3.42Å; F513-A552 HydrophobicContact CD1-CB 3.86Å; F513-A552 HydrophobicContact CD2-CB 4.45Å; F513-A552 HydrophobicContact CE1-CB 3.59Å; F513-A552 HydrophobicContact CE2-CB 4.22Å; F513-A552 HydrophobicContact CG-CB 4.3Å; F513-A552 HydrophobicContact CZ-CB 3.77Å; F513-G554 VanDerWaalsContact CE1-O 3.31Å; F513-G554 WeakPolarHBondContact CE1-O 3.3Å; F513-Q557 HydrophobicContact CE1-CB 4.43Å; F513-V558 HydrophobicContact CE1-CG2 3.8Å; F513-V558 HydrophobicContact CE2-CG2 4.49Å; F513-V558 HydrophobicContact CZ-CB 4.46Å; F513-V558 HydrophobicContact CZ-CG2 3.6Å; F513-I577 HydrophobicContact CD2-CG2 3.68Å; F513-I577 HydrophobicContact CE2-CG2 4.02Å; F513-V578 WeakPolarHBondContact CA-O 3.39Å; F513-V578 PolarHBondContact N-O 2.89Å; F513-L579 HydrophobicContact CB-CD2 4.21Å; F513-P580 WeakPolarHBondContact O-CD 3.1Å; F513-V585 HydrophobicContact CB-CG1 4.31Å; F513-V585 HydrophobicContact CD1-CG1 3.69Å; F513-V585 HydrophobicContact CD1-CG2 4.24Å; F513-V585 HydrophobicContact CD2-CG1 4.14Å; F513-V585 HydrophobicContact CE1-CG1 3.97Å; F513-V585 HydrophobicContact CE2-CG1 4.38Å; F513-V585 HydrophobicContact CG-CG1 3.78Å; F513-V585 HydrophobicContact CZ-CG1 4.31Å
514	A	95.6	Very high	96.4	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	26%	0.258	C	S	.	.	S	Bend	trans	-87.5	142.5	168.3	0	0	0	0	0	109.2	C512 V519 Y551 V578 P580 A606	C512-A514 VanDerWaalsContact C-N 3.31Å; A514-V519 HydrophobicContact CB-CB 4.18Å; A514-V519 HydrophobicContact CB-CG2 3.53Å; A514-Y551 WeakPolarHBondContact O-CD1 3.47Å; A514-V578 HydrophobicContact CB-CG1 4.47Å; A514-P580 HydrophobicContact CB-CB 4.27Å; A514-A606 HydrophobicContact CB-CB 4.14Å
515	Q	93.8	Very high	96.3	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	26%	0.264	S	S	.	.			trans	-60.4	140.9	177.2	-65.3	173.1	-21.6	0	0	110.5	Q517 H518 V519	Q515-Q517 HydrophobicContact CB-CG 4Å; Q515-Q517 PolarHBondContact O-N 3.07Å; Q515-Q517 VanDerWaalsContact O-N 3.11Å; Q515-H518 PolarHBondContact O-N 2.88Å; Q515-H518 PolarHBondContact OE1-CE1 3.3Å; Q515-H518 VanDerWaalsContact OE1-CE1 3.26Å; Q515-H518 PolarHBondContact OE1-ND1 2.81Å; Q515-V519 PolarHBondContact O-N 3.34Å
516	Q	94.1	Very high	96.3	Very high	108 Å²	108	60 Å²	60	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.5	-177.1	-174.1	174.7	3.8	0	0	113.6	H518 V519 Y551	Q516-H518 VanDerWaalsContact C-N 3.29Å; Q516-H518 PolarHBondContact O-N 3.44Å; Q516-V519 CarbonylContact C-O 3.56Å; Q516-V519 WeakPolarHBondContact CA-O 3.39Å; Q516-V519 CarbonylContact O-C 3.48Å; Q516-V519 VanDerWaalsContact O-C 3.32Å; Q516-V519 VanDerWaalsContact O-O 3.06Å; Q516-Y551 HydrophobicContact CB-CD1 4.22Å; Q516-Y551 HydrophobicContact CB-CE1 4Å; Q516-Y551 HydrophobicContact CB-CE2 4.35Å; Q516-Y551 HydrophobicContact CB-CG 4.48Å; Q516-Y551 HydrophobicContact CG-CD2 4.49Å; Q516-Y551 HydrophobicContact CG-CE1 4.24Å; Q516-Y551 HydrophobicContact CG-CE2 3.94Å
517	Q	93	Very high	96.3	Very high	140 Å²	140	54.2 Å²	54.2	65%	0.654	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.8	174.1	64.6	-170.6	0.7	0	0	113.6	Q515	Q515-Q517 HydrophobicContact CB-CG 4Å; Q515-Q517 PolarHBondContact O-N 3.07Å; Q515-Q517 VanDerWaalsContact O-N 3.11Å
518	H	93.3	Very high	96.3	Very high	115 Å²	115	52.5 Å²	52.5	53%	0.532	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-35.6	-179.7	-65.9	124.2	0	0	0	112.6	Q515 Q516 N610	Q515-H518 PolarHBondContact O-N 2.88Å; Q515-H518 PolarHBondContact OE1-CE1 3.3Å; Q515-H518 VanDerWaalsContact OE1-CE1 3.26Å; Q515-H518 PolarHBondContact OE1-ND1 2.81Å; Q516-H518 VanDerWaalsContact C-N 3.29Å; Q516-H518 PolarHBondContact O-N 3.44Å; H518-N610 PolarHBondContact O-ND2 3.43Å
519	V	96.5	Very high	96.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-124.6	102.4	174.8	-177.7	0	0	0	0	106.7	A514 Q515 Q516 D523 L524 Y551 V578 A606 V609	A514-V519 HydrophobicContact CB-CB 4.18Å; A514-V519 HydrophobicContact CB-CG2 3.53Å; Q515-V519 PolarHBondContact O-N 3.34Å; Q516-V519 CarbonylContact C-O 3.56Å; Q516-V519 WeakPolarHBondContact CA-O 3.39Å; Q516-V519 CarbonylContact O-C 3.48Å; Q516-V519 VanDerWaalsContact O-C 3.32Å; Q516-V519 VanDerWaalsContact O-O 3.06Å; V519-D523 HydrophobicContact CG1-CB 4.26Å; V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 3.98Å; V519-Y551 VanDerWaalsContact O-CE1 3.32Å; V519-Y551 WeakPolarHBondContact O-CE1 3.44Å; V519-Y551 PolarHBondContact O-OH 3.16Å; V519-V578 HydrophobicContact CG2-CG1 4.46Å; V519-A606 HydrophobicContact CG2-CB 3.59Å; V519-V609 HydrophobicContact CG1-CG1 4.04Å
520	K	96.5	Very high	96.1	Very high	131 Å²	131	60.1 Å²	60.1	57%	0.57	28%	0.28	S	S	*	.			trans	-79	162.1	-178.3	-60	178.6	-178	-179.4	0	110	N522 D523 L524 Y551	K520-N522 PolarHBondContact O-N 2.8Å; K520-D523 WeakPolarHBondContact CB-OD2 3.39Å; K520-D523 PolarHBondContact N-OD2 2.91Å; K520-D523 WeakPolarHBondContact O-CB 3.37Å; K520-D523 PolarHBondContact O-N 3.33Å; K520-L524 PolarHBondContact O-N 3.03Å; K520-Y551 VanDerWaalsContact C-OH 3.26Å
521	E	95.3	Very high	96	Very high	113 Å²	113	60.3 Å²	60.3	53%	0.528	28%	0.281	S	S	.	.	H	α-helix	trans	-59.9	-34.3	177	-67.4	-174.7	174	0	0	112.6	D523 L524 R525 Y551	E521-D523 VanDerWaalsContact C-N 3.3Å; E521-D523 PolarHBondContact O-N 2.76Å; E521-L524 PolarHBondContact O-N 2.63Å; E521-R525 PolarHBondContact O-N 3.08Å; E521-Y551 WeakPolarHBondContact CA-OH 3.21Å; E521-Y551 HydrophobicContact CG-CE2 3.91Å; E521-Y551 WeakPolarHBondContact CG-OH 3.44Å; E521-Y551 PolarHBondContact N-OH 2.79Å; E521-Y551 VanDerWaalsContact N-OH 3.11Å
522	N	95.4	Very high	96	Very high	108 Å²	108	61.6 Å²	61.6	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-65	-34.4	175.2	-165.6	60.1	0	0	0	112.3	K520 R525 N526	K520-N522 PolarHBondContact O-N 2.8Å; N522-R525 PolarHBondContact O-N 3.16Å; N522-N526 WeakPolarHBondContact O-CB 3.42Å; N522-N526 PolarHBondContact O-N 2.79Å
523	D	96.9	Very high	95.9	Very high	36 Å²	36	69.2 Å²	69.2	19%	0.193	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-42.2	175.5	-58	-41.7	0	0	0	110.4	V519 K520 E521 N526 F527 N610	V519-D523 HydrophobicContact CG1-CB 4.26Å; K520-D523 WeakPolarHBondContact CB-OD2 3.39Å; K520-D523 PolarHBondContact N-OD2 2.91Å; K520-D523 WeakPolarHBondContact O-CB 3.37Å; K520-D523 PolarHBondContact O-N 3.33Å; E521-D523 VanDerWaalsContact C-N 3.3Å; E521-D523 PolarHBondContact O-N 2.76Å; D523-N526 PolarHBondContact O-N 3.01Å; D523-F527 VanDerWaalsContact O-CB 3.27Å; D523-F527 WeakPolarHBondContact O-CB 3.47Å; D523-F527 PolarHBondContact O-N 2.81Å; D523-N610 PolarHBondContact OD2-ND2 3.29Å
524	L	96.9	Very high	95.8	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-41.8	174.9	-66.4	174.8	0	0	0	112	I510 C512 V519 K520 E521 F527 T528 Y551 V578 V609	I510-L524 HydrophobicContact CG2-CD2 4.35Å; C512-L524 HydrophobicContact CB-CD1 4.27Å; V519-L524 HydrophobicContact CG1-CD2 3.85Å; V519-L524 HydrophobicContact CG1-CG 3.98Å; K520-L524 PolarHBondContact O-N 3.03Å; E521-L524 PolarHBondContact O-N 2.63Å; L524-F527 PolarHBondContact O-N 2.91Å; L524-T528 VanDerWaalsContact O-CB 3.3Å; L524-T528 WeakPolarHBondContact O-CB 3.29Å; L524-T528 PolarHBondContact O-N 3.38Å; L524-T528 PolarHBondContact O-OG1 2.92Å; L524-Y551 HydrophobicContact CD1-CE1 4.15Å; L524-Y551 HydrophobicContact CD1-CE2 4.47Å; L524-Y551 WeakPolarHBondContact CD1-OH 3.47Å; L524-V578 HydrophobicContact CD2-CG2 4.01Å; L524-V609 HydrophobicContact CD2-CG1 4.03Å
525	R	95.9	Very high	95.8	Very high	144 Å²	144	69.6 Å²	69.6	54%	0.543	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-47.1	177.7	-169.1	-177.5	-64.8	170.7	0.5	111.4	E521 N522 T528 Q529	E521-R525 PolarHBondContact O-N 3.08Å; N522-R525 PolarHBondContact O-N 3.16Å; R525-T528 WeakPolarHBondContact O-CB 3.36Å; R525-T528 PolarHBondContact O-N 3.05Å; R525-Q529 WeakPolarHBondContact O-CG 3.14Å; R525-Q529 PolarHBondContact O-N 2.82Å
526	N	96.5	Very high	95.9	Very high	63 Å²	63	67.7 Å²	67.7	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-45.6	176.6	-179.8	45.5	0	0	0	111.5	N522 D523 T528 Q529 Q530	N522-N526 WeakPolarHBondContact O-CB 3.42Å; N522-N526 PolarHBondContact O-N 2.79Å; D523-N526 PolarHBondContact O-N 3.01Å; N526-T528 VanDerWaalsContact C-N 3.29Å; N526-T528 PolarHBondContact O-N 2.84Å; N526-Q529 PolarHBondContact O-N 2.77Å; N526-Q530 VanDerWaalsContact O-CG 3.29Å; N526-Q530 WeakPolarHBondContact O-CG 3.43Å; N526-Q530 PolarHBondContact O-N 2.95Å
527	F	97.4	Very high	96	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-46.3	174.3	166.2	-98.9	0	0	0	111.8	D523 L524 Q530 L531 V576 V604 V609 T612 L617 L620	D523-F527 VanDerWaalsContact O-CB 3.27Å; D523-F527 WeakPolarHBondContact O-CB 3.47Å; D523-F527 PolarHBondContact O-N 2.81Å; L524-F527 PolarHBondContact O-N 2.91Å; F527-Q530 PolarHBondContact O-N 2.76Å; F527-L531 HydrophobicContact CE1-CD2 4.15Å; F527-L531 HydrophobicContact CZ-CD2 4.04Å; F527-L531 WeakPolarHBondContact O-CB 3.41Å; F527-L531 PolarHBondContact O-N 3.28Å; F527-V576 HydrophobicContact CE1-CG1 4.23Å; F527-V576 HydrophobicContact CZ-CG1 4.42Å; F527-V604 HydrophobicContact CE2-CG1 4.47Å; F527-V604 HydrophobicContact CZ-CG2 4.35Å; F527-V609 HydrophobicContact CB-CG1 3.76Å; F527-V609 HydrophobicContact CD1-CG1 4.48Å; F527-V609 HydrophobicContact CD2-CB 4.42Å; F527-V609 HydrophobicContact CD2-CG1 4.41Å; F527-V609 HydrophobicContact CD2-CG2 4.15Å; F527-V609 HydrophobicContact CE2-CG2 4.34Å; F527-V609 HydrophobicContact CG-CB 4.46Å; F527-V609 HydrophobicContact CG-CG1 3.97Å; F527-V609 HydrophobicContact CG-CG2 4.32Å; F527-T612 HydrophobicContact CB-CG2 4.22Å; F527-T612 HydrophobicContact CD2-CG2 3.78Å; F527-L617 HydrophobicContact CD2-CD2 4.08Å; F527-L617 HydrophobicContact CE2-CD2 3.68Å; F527-L620 HydrophobicContact CE2-CD2 4.29Å; F527-L620 HydrophobicContact CZ-CD2 4.07Å
528	T	97	Very high	96.1	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.025	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-52	178.7	-62.8	0	0	0	0	111	W508 I510 L524 R525 N526 Q530 L531 L532	W508-T528 HydrophobicContact CH2-CG2 3.71Å; W508-T528 HydrophobicContact CZ2-CG2 3.95Å; I510-T528 WeakPolarHBondContact CD1-OG1 3.38Å; L524-T528 VanDerWaalsContact O-CB 3.3Å; L524-T528 WeakPolarHBondContact O-CB 3.29Å; L524-T528 PolarHBondContact O-N 3.38Å; L524-T528 PolarHBondContact O-OG1 2.92Å; R525-T528 WeakPolarHBondContact O-CB 3.36Å; R525-T528 PolarHBondContact O-N 3.05Å; N526-T528 VanDerWaalsContact C-N 3.29Å; N526-T528 PolarHBondContact O-N 2.84Å; T528-Q530 VanDerWaalsContact C-N 3.33Å; T528-Q530 PolarHBondContact O-N 2.89Å; T528-L531 PolarHBondContact O-N 3.47Å; T528-L531 VanDerWaalsContact O-N 3.13Å; T528-L532 HydrophobicContact CG2-CD1 3.58Å; T528-L532 WeakPolarHBondContact O-CD1 3.26Å; T528-L532 PolarHBondContact O-N 3.49Å
529	Q	96.5	Very high	96.2	Very high	103 Å²	103	56.2 Å²	56.2	48%	0.481	27%	0.267	S	S	.	.	H	α-helix	trans	-57.3	-44.2	179	-72.3	173.3	-7.3	0	0	112.5	R525 N526 L532 R533	R525-Q529 WeakPolarHBondContact O-CG 3.14Å; R525-Q529 PolarHBondContact O-N 2.82Å; N526-Q529 PolarHBondContact O-N 2.77Å; Q529-L532 PolarHBondContact O-N 3.05Å; Q529-R533 PolarHBondContact O-N 3.31Å; Q529-R533 VanDerWaalsContact O-N 3.07Å
530	Q	96.7	Very high	96.3	Very high	60 Å²	60	56.2 Å²	56.2	28%	0.28	27%	0.267	S	S	.	.	H	α-helix	trans	-67.1	-38.6	177.9	-64.3	-63.9	-30.7	0	0	111.9	N526 F527 T528 R533 I534 L617	N526-Q530 VanDerWaalsContact O-CG 3.29Å; N526-Q530 WeakPolarHBondContact O-CG 3.43Å; N526-Q530 PolarHBondContact O-N 2.95Å; F527-Q530 PolarHBondContact O-N 2.76Å; T528-Q530 VanDerWaalsContact C-N 3.33Å; T528-Q530 PolarHBondContact O-N 2.89Å; Q530-R533 PolarHBondContact O-N 3.37Å; Q530-I534 VanDerWaalsContact O-CG1 3.32Å; Q530-I534 WeakPolarHBondContact O-CG1 2.9Å; Q530-I534 PolarHBondContact O-N 3.12Å; Q530-L617 HydrophobicContact CB-CD1 3.54Å
531	L	96.4	Very high	96.3	Very high	4 Å²	4	52 Å²	52	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-44.2	175.4	-178.6	62.6	0	0	0	111.5	F527 T528 R533 I534 S535 L617 L620	F527-L531 HydrophobicContact CE1-CD2 4.15Å; F527-L531 HydrophobicContact CZ-CD2 4.04Å; F527-L531 WeakPolarHBondContact O-CB 3.41Å; F527-L531 PolarHBondContact O-N 3.28Å; T528-L531 PolarHBondContact O-N 3.47Å; T528-L531 VanDerWaalsContact O-N 3.13Å; L531-R533 VanDerWaalsContact C-N 3.33Å; L531-R533 PolarHBondContact O-N 3.49Å; L531-I534 PolarHBondContact O-N 2.89Å; L531-S535 WeakPolarHBondContact O-CB 3.5Å; L531-S535 PolarHBondContact O-N 3.33Å; L531-S535 PolarHBondContact O-OG 3.42Å; L531-L617 HydrophobicContact CD1-CD2 4.4Å; L531-L620 HydrophobicContact CD1-CD2 4.29Å
532	L	96.5	Very high	96.2	Very high	26 Å²	26	47 Å²	47	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-46.1	175.5	-92.3	75.7	0	0	0	111.1	W508 T528 Q529 S535 N536 V542	W508-L532 HydrophobicContact CH2-CD1 4.41Å; W508-L532 HydrophobicContact CZ2-CD1 3.94Å; T528-L532 HydrophobicContact CG2-CD1 3.58Å; T528-L532 WeakPolarHBondContact O-CD1 3.26Å; T528-L532 PolarHBondContact O-N 3.49Å; Q529-L532 PolarHBondContact O-N 3.05Å; L532-S535 WeakPolarHBondContact CA-OG 3.44Å; L532-S535 PolarHBondContact O-OG 2.93Å; L532-N536 WeakPolarHBondContact O-CB 3.46Å; L532-N536 PolarHBondContact O-N 3.5Å; L532-N536 PolarHBondContact O-ND2 2.81Å; L532-V542 HydrophobicContact CD1-CB 4.41Å; L532-V542 HydrophobicContact CD1-CG1 4.02Å; L532-V542 HydrophobicContact CG-CB 4.13Å; L532-V542 HydrophobicContact CG-CG1 4.15Å
533	R	95.8	Very high	96	Very high	160 Å²	160	45.2 Å²	45.2	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-59.5	-55.3	177.5	-178.3	-179.1	175.1	171	2.9	111.9	Q529 Q530 L531 S535 N536 D537	Q529-R533 PolarHBondContact O-N 3.31Å; Q529-R533 VanDerWaalsContact O-N 3.07Å; Q530-R533 PolarHBondContact O-N 3.37Å; L531-R533 VanDerWaalsContact C-N 3.33Å; L531-R533 PolarHBondContact O-N 3.49Å; R533-S535 VanDerWaalsContact C-N 3.31Å; R533-S535 PolarHBondContact O-N 2.94Å; R533-N536 PolarHBondContact O-N 3.44Å; R533-D537 PolarHBondContact O-N 3.21Å
534	I	96	Very high	95.6	Very high	24 Å²	24	45.5 Å²	45.5	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-33.9	-175.4	-64	-65.5	0	0	0	112.1	Q530 L531 A538 P614 L617	Q530-I534 VanDerWaalsContact O-CG1 3.32Å; Q530-I534 WeakPolarHBondContact O-CG1 2.9Å; Q530-I534 PolarHBondContact O-N 3.12Å; L531-I534 PolarHBondContact O-N 2.89Å; I534-A538 WeakPolarHBondContact O-CB 3.49Å; I534-A538 PolarHBondContact O-N 2.86Å; I534-A538 VanDerWaalsContact O-N 3.08Å; I534-P614 HydrophobicContact CD1-CB 4.11Å; I534-L617 HydrophobicContact CB-CB 4.3Å; I534-L617 HydrophobicContact CG1-CB 4.22Å; I534-L617 HydrophobicContact CG1-CD1 4.23Å; I534-L617 HydrophobicContact CG2-CB 4.14Å
535	S	96.3	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-41.1	177	62.8	0	0	0	0	112.3	L531 L532 R533 A538 G539 M540 V542	L531-S535 WeakPolarHBondContact O-CB 3.5Å; L531-S535 PolarHBondContact O-N 3.33Å; L531-S535 PolarHBondContact O-OG 3.42Å; L532-S535 WeakPolarHBondContact CA-OG 3.44Å; L532-S535 PolarHBondContact O-OG 2.93Å; R533-S535 VanDerWaalsContact C-N 3.31Å; R533-S535 PolarHBondContact O-N 2.94Å; S535-A538 CarbonylContact O-C 3.47Å; S535-A538 PolarHBondContact O-N 3.29Å; S535-G539 PolarHBondContact O-N 2.85Å; S535-M540 CarbonylContact C-O 3.58Å; S535-M540 WeakPolarHBondContact CB-O 3.37Å; S535-M540 CarbonylContact O-C 3.59Å; S535-M540 PolarHBondContact O-N 2.87Å; S535-V542 WeakPolarHBondContact OG-CG2 3.35Å
536	N	95.9	Very high	95.5	Very high	75 Å²	75	45.1 Å²	45.1	40%	0.401	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-46.7	171.3	-80.3	-51.6	0	0	0	112	L532 R533 A538 G539 P541	L532-N536 WeakPolarHBondContact O-CB 3.46Å; L532-N536 PolarHBondContact O-N 3.5Å; L532-N536 PolarHBondContact O-ND2 2.81Å; R533-N536 PolarHBondContact O-N 3.44Å; N536-A538 PolarHBondContact O-N 3.32Å; N536-G539 PolarHBondContact O-N 2.65Å; N536-P541 VanDerWaalsContact OD1-CA 3.27Å; N536-P541 WeakPolarHBondContact OD1-CA 3.47Å; N536-P541 WeakPolarHBondContact OD1-CB 3.36Å
537	D	94.6	Very high	95.5	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-35.6	177.2	-68.7	-18.9	0	0	0	111.8	Q498 R533 G539	Q498-D537 WeakPolarHBondContact CG-O 3.2Å; R533-D537 PolarHBondContact O-N 3.21Å; D537-G539 VanDerWaalsContact C-N 3.28Å; D537-G539 PolarHBondContact O-N 2.87Å
538	A	96	Very high	95.4	Very high	6 Å²	6	45.9 Å²	45.9	5%	0.05	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.9	176.5	0	0	0	0	0	114	M494 Q498 F499 I534 S535 N536	M494-A538 HydrophobicContact CE-CB 3.88Å; Q498-A538 CarbonylContact C-O 3.59Å; Q498-A538 VanDerWaalsContact CA-O 3.31Å; Q498-A538 WeakPolarHBondContact CA-O 3.48Å; F499-A538 HydrophobicContact CD2-CB 4.3Å; F499-A538 VanDerWaalsContact CD2-O 3.24Å; F499-A538 WeakPolarHBondContact CD2-O 3.29Å; F499-A538 HydrophobicContact CE2-CB 3.79Å; F499-A538 WeakPolarHBondContact CG-O 3.45Å; F499-A538 HydrophobicContact CZ-CB 3.97Å; F499-A538 PolarHBondContact N-O 3.12Å; I534-A538 WeakPolarHBondContact O-CB 3.49Å; I534-A538 PolarHBondContact O-N 2.86Å; I534-A538 VanDerWaalsContact O-N 3.08Å; S535-A538 CarbonylContact O-C 3.47Å; S535-A538 PolarHBondContact O-N 3.29Å; N536-A538 PolarHBondContact O-N 3.32Å
539	G	96.3	Very high	95.4	Very high	18 Å²	18	48.5 Å²	48.5	19%	0.186	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	20.6	-178.6	0	0	0	0	0	114.7	G502 S535 N536 D537 P541	G502-G539 WeakPolarHBondContact CA-O 3.43Å; S535-G539 PolarHBondContact O-N 2.85Å; N536-G539 PolarHBondContact O-N 2.65Å; D537-G539 VanDerWaalsContact C-N 3.28Å; D537-G539 PolarHBondContact O-N 2.87Å; G539-P541 VanDerWaalsContact C-CD 3.44Å; G539-P541 WeakPolarHBondContact O-CD 3.43Å
540	M	97	Very high	95.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.			trans	-115.5	71.9	171.8	-175.6	-165	74.7	0	0	108.4	F499 V503 I505 S535 V542 C621 I624 N625	F499-M540 HydrophobicContact CD2-CB 3.8Å; F499-M540 HydrophobicContact CE2-CB 3.74Å; F499-M540 HydrophobicContact CE2-SD 4.34Å; V503-M540 WeakPolarHBondContact O-CA 3.35Å; V503-M540 WeakPolarHBondContact O-CG 3.48Å; I505-M540 HydrophobicContact CD1-CE 3.86Å; I505-M540 HydrophobicContact CD1-CG 4.19Å; I505-M540 HydrophobicContact CD1-SD 3.96Å; I505-M540 HydrophobicContact CG1-CG 4.45Å; S535-M540 CarbonylContact C-O 3.58Å; S535-M540 WeakPolarHBondContact CB-O 3.37Å; S535-M540 CarbonylContact O-C 3.59Å; S535-M540 PolarHBondContact O-N 2.87Å; M540-V542 HydrophobicContact CE-CG2 4.38Å; M540-V542 PolarHBondContact O-N 3.24Å; M540-C621 HydrophobicContact CE-CB 4.07Å; M540-I624 HydrophobicContact CE-CB 4.17Å; M540-I624 HydrophobicContact CE-CG2 3.89Å; M540-I624 HydrophobicContact SD-CB 4.07Å; M540-I624 HydrophobicContact SD-CG2 3.74Å; M540-N625 HydrophobicContact CG-CB 4.38Å; M540-N625 HydrophobicContact SD-CB 3.64Å; M540-N625 PolarHBondContact SD-N 2.68Å
541	P	96.3	Very high	95.3	Very high	42 Å²	42	49.6 Å²	49.6	27%	0.273	27%	0.266	S	S	.	.			trans	-61.8	125	-172.1	24.8	-33.3	0	0	0	111.2	E504 I505 N536 G539	E504-P541 HydrophobicContact CB-CG 4.23Å; E504-P541 HydrophobicContact CG-CG 4.12Å; I505-P541 PolarHBondContact N-O 3.34Å; N536-P541 VanDerWaalsContact OD1-CA 3.27Å; N536-P541 WeakPolarHBondContact OD1-CA 3.47Å; N536-P541 WeakPolarHBondContact OD1-CB 3.36Å; G539-P541 VanDerWaalsContact C-CD 3.44Å; G539-P541 WeakPolarHBondContact O-CD 3.43Å
542	V	95	Very high	95.2	Very high	9 Å²	9	50.2 Å²	50.2	6%	0.055	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-94.2	109.1	167.9	179.1	0	0	0	0	107.4	I505 W508 L532 S535 M540	I505-V542 HydrophobicContact CB-CG2 4.15Å; I505-V542 HydrophobicContact CD1-CG2 3.98Å; I505-V542 HydrophobicContact CG1-CG2 4.41Å; W508-V542 HydrophobicContact CD2-CG1 4.22Å; W508-V542 HydrophobicContact CG-CG1 4.43Å; W508-V542 HydrophobicContact CZ2-CG1 3.85Å; W508-V542 VanDerWaalsContact NE1-CG1 3.3Å; L532-V542 HydrophobicContact CD1-CB 4.41Å; L532-V542 HydrophobicContact CD1-CG1 4.02Å; L532-V542 HydrophobicContact CG-CB 4.13Å; L532-V542 HydrophobicContact CG-CG1 4.15Å; S535-V542 WeakPolarHBondContact OG-CG2 3.35Å; M540-V542 HydrophobicContact CE-CG2 4.38Å; M540-V542 PolarHBondContact O-N 3.24Å
543	V	90.6	Very high	95	Very high	70 Å²	70	53.4 Å²	53.4	42%	0.424	30%	0.296	S	S	.	.			trans	-85.8	120.2	-174.4	-174.3	0	0	0	0	109.2	E504 I505	E504-V543 HydrophobicContact CG-CG2 3.91Å; I505-V543 PolarHBondContact O-N 3.07Å
544	G	87.5	Confident	94.7	Very high	43 Å²	43	47.4 Å²	47.4	44%	0.443	28%	0.284	S	S	.	.	S	Bend	trans	72.3	-176.5	173.7	0	0	0	0	0	115.5
545	Q	94.2	Very high	94.5	Very high	119 Å²	119	48.1 Å²	48.1	56%	0.556	29%	0.29	S	S	*	.	S	Bend	trans	-76.5	157.8	175	-68.3	-58.8	-43.7	0	0	110.8	C547	Q545-C547 PolarHBondContact O-N 2.91Å
546	P	96.4	Very high	94.5	Very high	22 Å²	22	52.3 Å²	52.3	14%	0.143	31%	0.312	C	S	.	.			trans	-60.1	138	175.7	26.5	-34.2	0	0	0	110.4	W508 I510 F548 C549	W508-P546 HydrophobicContact CD2-CB 4.01Å; W508-P546 HydrophobicContact CE3-CB 4.06Å; W508-P546 HydrophobicContact CH2-CB 3.95Å; W508-P546 HydrophobicContact CH2-CG 4.05Å; W508-P546 HydrophobicContact CZ2-CB 3.88Å; W508-P546 VanDerWaalsContact CZ2-CD 3.48Å; W508-P546 HydrophobicContact CZ2-CG 4.1Å; W508-P546 HydrophobicContact CZ3-CB 4.04Å; W508-P546 HydrophobicContact CZ3-CG 4.5Å; W508-P546 CarbonylContact O-C 3.56Å; W508-P546 VanDerWaalsContact O-CA 3.24Å; W508-P546 WeakPolarHBondContact O-CA 3.49Å; I510-P546 HydrophobicContact CD1-CB 4.49Å; I510-P546 HydrophobicContact CD1-CG 4.06Å; I510-P546 HydrophobicContact CG1-CB 4.14Å; I510-P546 HydrophobicContact CG1-CG 4.22Å; P546-F548 PolarHBondContact O-N 3.36Å; P546-C549 HydrophobicContact CG-CB 4.29Å
547	C	96.3	Very high	94.4	Very high	50 Å²	50	52.6 Å²	52.6	34%	0.338	31%	0.311	S	S	.	.	S	Bend	trans	-67.9	-17.5	179.7	67	0	0	0	0	112.6	W508 Q545 F569	W508-C547 PolarHBondContact O-N 3.07Å; W508-C547 PolarHBondContact O-SG 2.76Å; Q545-C547 PolarHBondContact O-N 2.91Å; C547-F569 HydrophobicContact CB-CD1 3.73Å; C547-F569 HydrophobicContact CB-CE1 3.76Å; C547-F569 HydrophobicContact CB-CG 4.43Å; C547-F569 HydrophobicContact CB-CZ 4.48Å; C547-F569 WeakPolarHBondContact O-CE1 3.27Å; C547-F569 WeakPolarHBondContact O-CZ 3.3Å; C547-F569 VanDerWaalsContact SG-CD1 3.56Å
548	F	96.4	Very high	94.5	Very high	30 Å²	30	48 Å²	48	13%	0.132	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133.6	176.7	179.4	-87.1	0	0	0	110.1	A509 I510 P546 K550 M561 Y564 L565 F569	A509-F548 CarbonylContact C-O 3.47Å; A509-F548 WeakPolarHBondContact CA-O 3.46Å; A509-F548 HydrophobicContact CB-CB 3.96Å; A509-F548 HydrophobicContact CB-CD1 4.43Å; I510-F548 PolarHBondContact N-O 2.79Å; P546-F548 PolarHBondContact O-N 3.36Å; F548-K550 HydrophobicContact CD1-CB 4.44Å; F548-K550 HydrophobicContact CD1-CG 4.43Å; F548-K550 HydrophobicContact CD2-CG 4.35Å; F548-K550 HydrophobicContact CE1-CB 3.57Å; F548-K550 HydrophobicContact CE1-CG 3.75Å; F548-K550 HydrophobicContact CE2-CB 4.35Å; F548-K550 HydrophobicContact CE2-CG 3.64Å; F548-K550 HydrophobicContact CZ-CB 3.52Å; F548-K550 HydrophobicContact CZ-CG 3.31Å; F548-M561 HydrophobicContact CE1-CG 4.47Å; F548-M561 HydrophobicContact CE1-SD 4.14Å; F548-Y564 HydrophobicContact CD2-CE1 4.09Å; F548-Y564 HydrophobicContact CE2-CD1 4.33Å; F548-Y564 AromaticContact CE2-CE1 3.8Å; F548-Y564 HydrophobicContact CE2-CE1 3.8Å; F548-L565 HydrophobicContact CB-CD2 3.65Å; F548-L565 HydrophobicContact CD1-CD2 3.71Å; F548-L565 HydrophobicContact CD2-CD2 3.99Å; F548-L565 HydrophobicContact CE1-CD2 4.26Å; F548-L565 HydrophobicContact CG-CD2 3.54Å; F548-F569 HydrophobicContact CB-CE2 3.89Å; F548-F569 HydrophobicContact CB-CZ 4.06Å; F548-F569 HydrophobicContact CD2-CE2 4.2Å; F548-F569 HydrophobicContact CD2-CZ 4.49Å; F548-F569 HydrophobicContact CG-CE2 4.42Å
549	C	96	Very high	94.5	Very high	59 Å²	59	49.9 Å²	49.9	40%	0.399	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	104.5	174.1	-175.1	0	0	0	0	109.8	I510 P546	I510-C549 HydrophobicContact CB-CB 4.36Å; I510-C549 WeakPolarHBondContact O-CA 3.45Å; P546-C549 HydrophobicContact CG-CB 4.29Å
550	K	95.4	Very high	94.6	Very high	128 Å²	128	52.5 Å²	52.5	56%	0.557	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	155.4	-179.3	-69.9	-71.3	-174.4	173.6	0	112.7	I510 C512 F548	I510-K550 PolarHBondContact O-N 3.48Å; C512-K550 PolarHBondContact N-O 3.33Å; F548-K550 HydrophobicContact CD1-CB 4.44Å; F548-K550 HydrophobicContact CD1-CG 4.43Å; F548-K550 HydrophobicContact CD2-CG 4.35Å; F548-K550 HydrophobicContact CE1-CB 3.57Å; F548-K550 HydrophobicContact CE1-CG 3.75Å; F548-K550 HydrophobicContact CE2-CB 4.35Å; F548-K550 HydrophobicContact CE2-CG 3.64Å; F548-K550 HydrophobicContact CZ-CB 3.52Å; F548-K550 HydrophobicContact CZ-CG 3.31Å
551	Y	96.6	Very high	94.6	Very high	59 Å²	59	53.9 Å²	53.9	23%	0.231	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	149.3	167.8	-63.3	-86.4	0	0	0	110.9	C512 A514 Q516 V519 K520 E521 L524	C512-Y551 HydrophobicContact CB-CD1 3.71Å; C512-Y551 HydrophobicContact CB-CE1 3.97Å; C512-Y551 HydrophobicContact CB-CG 4.43Å; C512-Y551 CarbonylContact O-C 3.53Å; C512-Y551 VanDerWaalsContact O-CA 3.26Å; C512-Y551 WeakPolarHBondContact O-CA 3.37Å; A514-Y551 WeakPolarHBondContact O-CD1 3.47Å; Q516-Y551 HydrophobicContact CB-CD1 4.22Å; Q516-Y551 HydrophobicContact CB-CE1 4Å; Q516-Y551 HydrophobicContact CB-CE2 4.35Å; Q516-Y551 HydrophobicContact CB-CG 4.48Å; Q516-Y551 HydrophobicContact CG-CD2 4.49Å; Q516-Y551 HydrophobicContact CG-CE1 4.24Å; Q516-Y551 HydrophobicContact CG-CE2 3.94Å; V519-Y551 VanDerWaalsContact O-CE1 3.32Å; V519-Y551 WeakPolarHBondContact O-CE1 3.44Å; V519-Y551 PolarHBondContact O-OH 3.16Å; K520-Y551 VanDerWaalsContact C-OH 3.26Å; E521-Y551 WeakPolarHBondContact CA-OH 3.21Å; E521-Y551 HydrophobicContact CG-CE2 3.91Å; E521-Y551 WeakPolarHBondContact CG-OH 3.44Å; E521-Y551 PolarHBondContact N-OH 2.79Å; E521-Y551 VanDerWaalsContact N-OH 3.11Å; L524-Y551 HydrophobicContact CD1-CE1 4.15Å; L524-Y551 HydrophobicContact CD1-CE2 4.47Å; L524-Y551 WeakPolarHBondContact CD1-OH 3.47Å
552	A	94.8	Very high	94.6	Very high	16 Å²	16	51.9 Å²	51.9	13%	0.132	30%	0.302	C	S	.	.			trans	-144.4	160.4	175.2	0	0	0	0	0	110	C512 F513 Q557 M561	C512-A552 PolarHBondContact O-N 2.88Å; F513-A552 WeakPolarHBondContact CA-O 3.42Å; F513-A552 HydrophobicContact CD1-CB 3.86Å; F513-A552 HydrophobicContact CD2-CB 4.45Å; F513-A552 HydrophobicContact CE1-CB 3.59Å; F513-A552 HydrophobicContact CE2-CB 4.22Å; F513-A552 HydrophobicContact CG-CB 4.3Å; F513-A552 HydrophobicContact CZ-CB 3.77Å; A552-Q557 HydrophobicContact CB-CB 4.46Å; A552-M561 HydrophobicContact CB-CE 3.6Å
553	S	91.4	Very high	94.8	Very high	94 Å²	94	56.7 Å²	56.7	66%	0.657	32%	0.319	S	S	*	.			trans	-143.5	140.9	175.7	55.1	0	0	0	0	110.1	Q557	S553-Q557 WeakPolarHBondContact O-CG 3.49Å
554	G	89.3	Confident	95.1	Very high	34 Å²	34	58.8 Å²	58.8	35%	0.351	32%	0.32	S	S	.	.	S	Bend	trans	90.2	161	-179.7	0	0	0	0	0	113.5	F513 D556	F513-G554 VanDerWaalsContact CE1-O 3.31Å; F513-G554 WeakPolarHBondContact CE1-O 3.3Å; G554-D556 WeakPolarHBondContact CA-OD1 3.19Å
555	V	93.2	Very high	95.5	Very high	38 Å²	38	56.7 Å²	56.7	23%	0.23	30%	0.299	C	S	.	.	S	Bend	trans	-77.9	-35.3	-179.1	178.1	0	0	0	0	110.5	Q557 V558 P584 V585 E588	V555-Q557 PolarHBondContact O-N 3.5Å; V555-V558 WeakPolarHBondContact O-CB 3.28Å; V555-V558 WeakPolarHBondContact O-CG2 3.44Å; V555-V558 PolarHBondContact O-N 3.49Å; V555-P584 HydrophobicContact CG2-CB 3.93Å; V555-P584 HydrophobicContact CG2-CG 3.72Å; V555-V585 HydrophobicContact CG2-CG2 3.89Å; V555-E588 HydrophobicContact CG1-CB 3.54Å; V555-E588 HydrophobicContact CG1-CG 3.61Å
556	D	94.4	Very high	95.6	Very high	88 Å²	88	55 Å²	55	47%	0.471	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	179	54.1	-63.8	0	0	0	114.2	G554 P560	G554-D556 WeakPolarHBondContact CA-OD1 3.19Å; D556-P560 WeakPolarHBondContact O-CD 3.16Å
557	Q	95.5	Very high	95.6	Very high	82 Å²	82	61 Å²	61	38%	0.383	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.4	-180	-63.1	-57.3	-52.4	0	0	114.1	F513 A552 S553 V555 M561	F513-Q557 HydrophobicContact CE1-CB 4.43Å; A552-Q557 HydrophobicContact CB-CB 4.46Å; S553-Q557 WeakPolarHBondContact O-CG 3.49Å; V555-Q557 PolarHBondContact O-N 3.5Å; Q557-M561 WeakPolarHBondContact O-CB 3.23Å; Q557-M561 PolarHBondContact O-N 3.38Å
558	V	96.5	Very high	95.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-53.3	-173.9	177.5	0	0	0	0	111.6	F513 V555 F562 V585 E588 V589 V592	F513-V558 HydrophobicContact CE1-CG2 3.8Å; F513-V558 HydrophobicContact CE2-CG2 4.49Å; F513-V558 HydrophobicContact CZ-CB 4.46Å; F513-V558 HydrophobicContact CZ-CG2 3.6Å; V555-V558 WeakPolarHBondContact O-CB 3.28Å; V555-V558 WeakPolarHBondContact O-CG2 3.44Å; V555-V558 PolarHBondContact O-N 3.49Å; V558-F562 HydrophobicContact CG1-CE1 4.32Å; V558-F562 HydrophobicContact CG1-CE2 4.41Å; V558-F562 HydrophobicContact CG1-CZ 4.27Å; V558-F562 WeakPolarHBondContact O-CD1 3.41Å; V558-F562 PolarHBondContact O-N 3.19Å; V558-V585 HydrophobicContact CG2-CG1 3.93Å; V558-E588 HydrophobicContact CB-CG 3.77Å; V558-E588 HydrophobicContact CG1-CG 4.03Å; V558-E588 HydrophobicContact CG2-CB 4.41Å; V558-E588 HydrophobicContact CG2-CG 3.99Å; V558-V589 HydrophobicContact CG1-CB 4.41Å; V558-V589 HydrophobicContact CG1-CG2 3.76Å; V558-V589 HydrophobicContact CG2-CG2 4.04Å; V558-V592 HydrophobicContact CG1-CB 4.22Å; V558-V592 HydrophobicContact CG1-CG2 4.06Å
559	E	96.4	Very high	95.7	Very high	47 Å²	47	62.5 Å²	62.5	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-49.1	-175.6	-172.6	175.4	154.3	0	0	113.1	M561 F562 R563 R591 V592	E559-M561 VanDerWaalsContact C-N 3.3Å; E559-M561 PolarHBondContact O-N 2.93Å; E559-F562 PolarHBondContact O-N 3.45Å; E559-R563 HydrophobicContact CG-CG 4.43Å; E559-R563 WeakPolarHBondContact O-CG 3.46Å; E559-R563 PolarHBondContact O-N 2.93Å; E559-R563 IonicContact OE1-CZ 3.17Å; E559-R563 VanDerWaalsContact OE1-CZ 3.26Å; E559-R563 IonicContact OE1-NE 2.8Å; E559-R563 PolarHBondContact OE1-NE 3.19Å; E559-R563 IonicContact OE1-NH2 3Å; E559-R563 PolarHBondContact OE1-NH2 3.31Å; E559-R591 IonicContact OE2-CZ 3.25Å; E559-R591 IonicContact OE2-NH2 2.79Å; E559-R591 PolarHBondContact OE2-NH2 2.76Å; E559-V592 HydrophobicContact CB-CG1 4.27Å; E559-V592 HydrophobicContact CB-CG2 3.79Å; E559-V592 HydrophobicContact CG-CG1 4.2Å; E559-V592 HydrophobicContact CG-CG2 4.22Å
560	P	97.1	Very high	95.5	Very high	73 Å²	73	68.2 Å²	68.2	47%	0.474	34%	0.343	S	S	.	.	H	α-helix	trans	-57.4	-43.1	176.7	-24.8	35.1	0	0	0	112.4	D556 F562 R563 Y564	D556-P560 WeakPolarHBondContact O-CD 3.16Å; P560-F562 PolarHBondContact O-N 2.94Å; P560-R563 PolarHBondContact O-N 3.45Å; P560-Y564 WeakPolarHBondContact O-CB 3.5Å; P560-Y564 PolarHBondContact O-N 3.46Å
561	M	97.2	Very high	95.4	Very high	28 Å²	28	65 Å²	65	14%	0.138	35%	0.346	C	S	.	.	H	α-helix	trans	-63.4	-43.5	178.5	-178.3	173.7	-63.5	0	0	112	A511 F548 A552 Q557 E559 Y564 L565	A511-M561 HydrophobicContact CB-SD 3.7Å; F548-M561 HydrophobicContact CE1-CG 4.47Å; F548-M561 HydrophobicContact CE1-SD 4.14Å; A552-M561 HydrophobicContact CB-CE 3.6Å; Q557-M561 WeakPolarHBondContact O-CB 3.23Å; Q557-M561 PolarHBondContact O-N 3.38Å; E559-M561 VanDerWaalsContact C-N 3.3Å; E559-M561 PolarHBondContact O-N 2.93Å; M561-Y564 PolarHBondContact O-N 3.28Å; M561-L565 HydrophobicContact CG-CD1 4.15Å; M561-L565 HydrophobicContact CG-CG 4.49Å; M561-L565 WeakPolarHBondContact O-CB 3.36Å; M561-L565 VanDerWaalsContact O-CG 3.29Å; M561-L565 WeakPolarHBondContact O-CG 3.01Å; M561-L565 PolarHBondContact O-N 2.85Å
562	F	97.3	Very high	95.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.6	-35.9	-179.2	-77.3	23.1	0	0	0	111.9	V558 E559 P560 L565 K566 I575 I577 V589 V592 L597 I599 T601	V558-F562 HydrophobicContact CG1-CE1 4.32Å; V558-F562 HydrophobicContact CG1-CE2 4.41Å; V558-F562 HydrophobicContact CG1-CZ 4.27Å; V558-F562 WeakPolarHBondContact O-CD1 3.41Å; V558-F562 PolarHBondContact O-N 3.19Å; E559-F562 PolarHBondContact O-N 3.45Å; P560-F562 PolarHBondContact O-N 2.94Å; F562-L565 PolarHBondContact O-N 3.12Å; F562-K566 WeakPolarHBondContact O-CB 3.18Å; F562-K566 PolarHBondContact O-N 3.4Å; F562-I575 HydrophobicContact CD1-CD1 3.83Å; F562-I575 HydrophobicContact CD2-CD1 4.07Å; F562-I575 HydrophobicContact CE1-CD1 3.92Å; F562-I575 HydrophobicContact CE1-CG2 4.03Å; F562-I575 HydrophobicContact CE2-CD1 4.18Å; F562-I575 HydrophobicContact CG-CD1 3.9Å; F562-I575 HydrophobicContact CZ-CD1 4.1Å; F562-I575 HydrophobicContact CZ-CG2 4.25Å; F562-I577 HydrophobicContact CZ-CD1 4.24Å; F562-I577 HydrophobicContact CZ-CG1 4.17Å; F562-V589 HydrophobicContact CE2-CG1 4.4Å; F562-V589 HydrophobicContact CZ-CG1 4.08Å; F562-V589 HydrophobicContact CZ-CG2 4.36Å; F562-V592 HydrophobicContact CB-CG1 3.89Å; F562-V592 HydrophobicContact CD2-CB 4.23Å; F562-V592 HydrophobicContact CD2-CG1 3.62Å; F562-V592 HydrophobicContact CE2-CG1 4.46Å; F562-V592 HydrophobicContact CG-CG1 4.06Å; F562-L597 HydrophobicContact CB-CD1 3.49Å; F562-L597 VanDerWaalsContact CB-CD1 3.49Å; F562-I599 HydrophobicContact CB-CD1 4.45Å; F562-T601 HydrophobicContact CE2-CG2 3.54Å; F562-T601 HydrophobicContact CZ-CG2 3.91Å
563	R	97.4	Very high	95.5	Very high	110 Å²	110	65 Å²	65	42%	0.415	35%	0.346	S	S	.	.	H	α-helix	trans	-60.9	-47.5	172.6	-73.7	-178.8	-178.5	-98.3	2.9	111	E559 P560 L565 K566 Q567 L597	E559-R563 HydrophobicContact CG-CG 4.43Å; E559-R563 WeakPolarHBondContact O-CG 3.46Å; E559-R563 PolarHBondContact O-N 2.93Å; E559-R563 IonicContact OE1-CZ 3.17Å; E559-R563 VanDerWaalsContact OE1-CZ 3.26Å; E559-R563 IonicContact OE1-NE 2.8Å; E559-R563 PolarHBondContact OE1-NE 3.19Å; E559-R563 IonicContact OE1-NH2 3Å; E559-R563 PolarHBondContact OE1-NH2 3.31Å; P560-R563 PolarHBondContact O-N 3.45Å; R563-L565 PolarHBondContact O-N 2.79Å; R563-K566 PolarHBondContact O-N 3.19Å; R563-Q567 WeakPolarHBondContact O-CB 3.38Å; R563-Q567 VanDerWaalsContact O-CG 3.3Å; R563-Q567 WeakPolarHBondContact O-CG 3.39Å; R563-Q567 PolarHBondContact O-N 3.32Å; R563-L597 HydrophobicContact CG-CD1 4.03Å; R563-L597 HydrophobicContact CG-CD2 4.14Å
564	Y	97.4	Very high	95.8	Very high	114 Å²	114	60.7 Å²	60.7	45%	0.447	32%	0.316	S	S	.	.	H	α-helix	trans	-56	-51.5	173.8	171.7	-99.2	0	0	0	111.3	F548 P560 M561 K566 Q567 T568 F569	F548-Y564 HydrophobicContact CD2-CE1 4.09Å; F548-Y564 HydrophobicContact CE2-CD1 4.33Å; F548-Y564 AromaticContact CE2-CE1 3.8Å; F548-Y564 HydrophobicContact CE2-CE1 3.8Å; P560-Y564 WeakPolarHBondContact O-CB 3.5Å; P560-Y564 PolarHBondContact O-N 3.46Å; M561-Y564 PolarHBondContact O-N 3.28Å; Y564-K566 VanDerWaalsContact C-N 3.34Å; Y564-K566 PolarHBondContact O-N 2.91Å; Y564-Q567 PolarHBondContact O-N 2.8Å; Y564-T568 WeakPolarHBondContact CD2-OG1 3.43Å; Y564-T568 HydrophobicContact CE2-CG2 4.41Å; Y564-T568 WeakPolarHBondContact CE2-OG1 3.41Å; Y564-T568 WeakPolarHBondContact O-CB 3.48Å; Y564-T568 PolarHBondContact O-N 2.88Å; Y564-T568 PolarHBondContact O-OG1 2.84Å; Y564-T568 VanDerWaalsContact O-OG1 3.05Å; Y564-F569 HydrophobicContact CE1-CE2 4.27Å
565	L	97.2	Very high	96.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.1	-43.7	-179.8	-74.1	173.2	0	0	0	112.9	A509 F548 M561 F562 R563 Q567 F569 I572 I575	A509-L565 HydrophobicContact CB-CD1 4.21Å; A509-L565 HydrophobicContact CB-CD2 4.04Å; F548-L565 HydrophobicContact CB-CD2 3.65Å; F548-L565 HydrophobicContact CD1-CD2 3.71Å; F548-L565 HydrophobicContact CD2-CD2 3.99Å; F548-L565 HydrophobicContact CE1-CD2 4.26Å; F548-L565 HydrophobicContact CG-CD2 3.54Å; M561-L565 HydrophobicContact CG-CD1 4.15Å; M561-L565 HydrophobicContact CG-CG 4.49Å; M561-L565 WeakPolarHBondContact O-CB 3.36Å; M561-L565 VanDerWaalsContact O-CG 3.29Å; M561-L565 WeakPolarHBondContact O-CG 3.01Å; M561-L565 PolarHBondContact O-N 2.85Å; F562-L565 PolarHBondContact O-N 3.12Å; R563-L565 PolarHBondContact O-N 2.79Å; L565-Q567 VanDerWaalsContact C-N 3.35Å; L565-F569 HydrophobicContact CD2-CD2 3.76Å; L565-F569 HydrophobicContact CD2-CE2 3.76Å; L565-F569 WeakPolarHBondContact O-CB 3.37Å; L565-F569 PolarHBondContact O-N 3.17Å; L565-I572 HydrophobicContact CB-CD1 3.93Å; L565-I572 HydrophobicContact CD2-CD1 4.46Å; L565-I575 HydrophobicContact CB-CD1 4.49Å; L565-I575 HydrophobicContact CD1-CD1 3.69Å; L565-I575 HydrophobicContact CD1-CG1 4.13Å; L565-I575 HydrophobicContact CD1-CG2 4.35Å
566	K	95.8	Very high	96.5	Very high	83 Å²	83	57.3 Å²	57.3	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-35.7	179.2	-168.6	173.2	-179.6	175	0	112.6	F562 R563 Y564 L597 I599	F562-K566 WeakPolarHBondContact O-CB 3.18Å; F562-K566 PolarHBondContact O-N 3.4Å; R563-K566 PolarHBondContact O-N 3.19Å; Y564-K566 VanDerWaalsContact C-N 3.34Å; Y564-K566 PolarHBondContact O-N 2.91Å; K566-L597 HydrophobicContact CD-CB 4.35Å; K566-L597 PolarHBondContact NZ-O 3.29Å; K566-I599 HydrophobicContact CB-CD1 3.85Å; K566-I599 HydrophobicContact CD-CD1 4.06Å; K566-I599 HydrophobicContact CD-CG1 4.22Å; K566-I599 HydrophobicContact CG-CD1 4.23Å
567	Q	96.5	Very high	96.7	Very high	149 Å²	149	53.1 Å²	53.1	70%	0.696	27%	0.266	S	S	*	.	H	α-helix	trans	-78.9	-42.1	-179.5	-72.3	172.4	-19.8	0	0	112.3	R563 Y564 L565	R563-Q567 WeakPolarHBondContact O-CB 3.38Å; R563-Q567 VanDerWaalsContact O-CG 3.3Å; R563-Q567 WeakPolarHBondContact O-CG 3.39Å; R563-Q567 PolarHBondContact O-N 3.32Å; Y564-Q567 PolarHBondContact O-N 2.8Å; L565-Q567 VanDerWaalsContact C-N 3.35Å
568	T	97.5	Very high	96.8	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-80	-38.7	-174.8	-56	0	0	0	0	112.7	Y564	Y564-T568 WeakPolarHBondContact CD2-OG1 3.43Å; Y564-T568 HydrophobicContact CE2-CG2 4.41Å; Y564-T568 WeakPolarHBondContact CE2-OG1 3.41Å; Y564-T568 WeakPolarHBondContact O-CB 3.48Å; Y564-T568 PolarHBondContact O-N 2.88Å; Y564-T568 PolarHBondContact O-OG1 2.84Å; Y564-T568 VanDerWaalsContact O-OG1 3.05Å
569	F	96.3	Very high	96.9	Very high	44 Å²	44	49.6 Å²	49.6	19%	0.193	25%	0.249	C	C	.	.	S	Bend	trans	-109.7	86.5	-176.5	-56.9	-78.9	0	0	0	110	V507 C547 F548 Y564 L565 G571 I572	V507-F569 HydrophobicContact CG1-CB 4.08Å; C547-F569 HydrophobicContact CB-CD1 3.73Å; C547-F569 HydrophobicContact CB-CE1 3.76Å; C547-F569 HydrophobicContact CB-CG 4.43Å; C547-F569 HydrophobicContact CB-CZ 4.48Å; C547-F569 WeakPolarHBondContact O-CE1 3.27Å; C547-F569 WeakPolarHBondContact O-CZ 3.3Å; C547-F569 VanDerWaalsContact SG-CD1 3.56Å; F548-F569 HydrophobicContact CB-CE2 3.89Å; F548-F569 HydrophobicContact CB-CZ 4.06Å; F548-F569 HydrophobicContact CD2-CE2 4.2Å; F548-F569 HydrophobicContact CD2-CZ 4.49Å; F548-F569 HydrophobicContact CG-CE2 4.42Å; Y564-F569 HydrophobicContact CE1-CE2 4.27Å; L565-F569 HydrophobicContact CD2-CD2 3.76Å; L565-F569 HydrophobicContact CD2-CE2 3.76Å; L565-F569 WeakPolarHBondContact O-CB 3.37Å; L565-F569 PolarHBondContact O-N 3.17Å; F569-G571 PolarHBondContact O-N 2.9Å; F569-I572 HydrophobicContact CB-CB 4.42Å; F569-I572 WeakPolarHBondContact O-CB 3.45Å; F569-I572 PolarHBondContact O-N 3.45Å; F569-I572 VanDerWaalsContact O-N 3.12Å
570	Q	93.1	Very high	96.8	Very high	179 Å²	179	51 Å²	51	84%	0.836	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	133.3	176.3	-73.2	-170.7	-5.9	0	0	110.8	I572	Q570-I572 VanDerWaalsContact C-N 3.35Å
571	G	93	Very high	96.6	Very high	61 Å²	61	48.7 Å²	48.7	63%	0.629	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	19	-179.1	0	0	0	0	0	114.8	F569 Q573	F569-G571 PolarHBondContact O-N 2.9Å; G571-Q573 WeakPolarHBondContact O-CG 3.3Å; G571-Q573 PolarHBondContact O-N 2.91Å; G571-Q573 VanDerWaalsContact O-N 3.14Å
572	I	96.7	Very high	96.2	Very high	22 Å²	22	55.7 Å²	55.7	11%	0.113	28%	0.282	C	S	.	.			trans	-52.2	120.5	173.7	-168.9	169.6	0	0	0	111.4	V507 A509 L565 F569 Q570 I575	V507-I572 HydrophobicContact CG1-CB 4.22Å; V507-I572 HydrophobicContact CG1-CG1 4.44Å; A509-I572 HydrophobicContact CB-CD1 4.1Å; L565-I572 HydrophobicContact CB-CD1 3.93Å; L565-I572 HydrophobicContact CD2-CD1 4.46Å; F569-I572 HydrophobicContact CB-CB 4.42Å; F569-I572 WeakPolarHBondContact O-CB 3.45Å; F569-I572 PolarHBondContact O-N 3.45Å; F569-I572 VanDerWaalsContact O-N 3.12Å; Q570-I572 VanDerWaalsContact C-N 3.35Å; I572-I575 HydrophobicContact CD1-CD1 4.34Å; I572-I575 HydrophobicContact CD1-CG1 3.85Å
573	Q	96.6	Very high	95.9	Very high	52 Å²	52	57.4 Å²	57.4	24%	0.243	29%	0.292	C	S	.	.			trans	-93.1	-39.7	-175.6	-65.7	170.7	-87.3	0	0	111.6	E504 V507 G571 A600 L628	E504-Q573 PolarHBondContact O-NE2 3.49Å; V507-Q573 VanDerWaalsContact N-OE1 3.17Å; V507-Q573 WeakPolarHBondContact O-CB 3.35Å; V507-Q573 PolarHBondContact O-N 2.93Å; G571-Q573 WeakPolarHBondContact O-CG 3.3Å; G571-Q573 PolarHBondContact O-N 2.91Å; G571-Q573 VanDerWaalsContact O-N 3.14Å; Q573-A600 WeakPolarHBondContact O-CB 3.34Å; Q573-L628 HydrophobicContact CB-CD2 4.26Å; Q573-L628 WeakPolarHBondContact O-CD2 3.45Å
574	L	98	Very high	95.7	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	137.3	-170.9	-179.4	69.1	0	0	0	112.2	I505 W508 A509 V576 A600 Q602 I624	I505-L574 HydrophobicContact CD1-CD2 4.44Å; W508-L574 CarbonylContact C-O 3.57Å; W508-L574 VanDerWaalsContact CA-O 3.23Å; W508-L574 WeakPolarHBondContact CA-O 3.43Å; W508-L574 HydrophobicContact CB-CB 4.18Å; A509-L574 PolarHBondContact N-O 3.44Å; L574-V576 HydrophobicContact CD2-CG2 3.79Å; L574-V576 HydrophobicContact CG-CG2 4.14Å; L574-A600 HydrophobicContact CD1-CB 4.42Å; L574-Q602 HydrophobicContact CD1-CB 4.01Å; L574-I624 HydrophobicContact CD2-CD1 4.17Å; L574-I624 HydrophobicContact CD2-CG1 4.26Å; L574-I624 HydrophobicContact CD2-CG2 3.71Å
575	I	98.3	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.5	163	-52.8	172.6	0	0	0	108.5	A511 F562 L565 I572 I577 I599 A600 T601 Q602	A511-I575 HydrophobicContact CB-CG2 4.36Å; F562-I575 HydrophobicContact CD1-CD1 3.83Å; F562-I575 HydrophobicContact CD2-CD1 4.07Å; F562-I575 HydrophobicContact CE1-CD1 3.92Å; F562-I575 HydrophobicContact CE1-CG2 4.03Å; F562-I575 HydrophobicContact CE2-CD1 4.18Å; F562-I575 HydrophobicContact CG-CD1 3.9Å; F562-I575 HydrophobicContact CZ-CD1 4.1Å; F562-I575 HydrophobicContact CZ-CG2 4.25Å; L565-I575 HydrophobicContact CB-CD1 4.49Å; L565-I575 HydrophobicContact CD1-CD1 3.69Å; L565-I575 HydrophobicContact CD1-CG1 4.13Å; L565-I575 HydrophobicContact CD1-CG2 4.35Å; I572-I575 HydrophobicContact CD1-CD1 4.34Å; I572-I575 HydrophobicContact CD1-CG1 3.85Å; I575-I577 HydrophobicContact CB-CD1 4.29Å; I575-I577 HydrophobicContact CG2-CD1 4.02Å; I575-I577 HydrophobicContact CG2-CG1 4.08Å; I575-I577 WeakPolarHBondContact O-CD1 3.44Å; I575-I599 HydrophobicContact CD1-CD1 4.28Å; I575-I599 HydrophobicContact CD1-CG2 3.76Å; I575-I599 HydrophobicContact CG1-CG2 3.94Å; I575-A600 PolarHBondContact N-O 2.9Å; I575-T601 WeakPolarHBondContact O-CA 3.48Å; I575-Q602 PolarHBondContact O-N 2.9Å
576	V	98.5	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	171.2	179.8	0	0	0	0	108.7	W508 A509 I510 A511 F527 L574 Q602 V604	W508-V576 HydrophobicContact CE3-CG2 4.13Å; W508-V576 HydrophobicContact CZ3-CG2 4.21Å; A509-V576 PolarHBondContact O-N 2.91Å; I510-V576 CarbonylContact C-O 3.6Å; I510-V576 WeakPolarHBondContact CA-O 3.42Å; I510-V576 HydrophobicContact CG1-CB 4.34Å; A511-V576 PolarHBondContact N-O 3.15Å; F527-V576 HydrophobicContact CE1-CG1 4.23Å; F527-V576 HydrophobicContact CZ-CG1 4.42Å; L574-V576 HydrophobicContact CD2-CG2 3.79Å; L574-V576 HydrophobicContact CG-CG2 4.14Å; V576-Q602 CarbonylContact C-O 3.52Å; V576-Q602 WeakPolarHBondContact CA-O 3.44Å; V576-V604 HydrophobicContact CG1-CG2 4.27Å
577	I	98.5	Very high	95.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.2	-174.6	-56.1	90.3	0	0	0	109.8	A511 F513 F562 I575 L579 V589 T601 Q602 C603 V604	A511-I577 CarbonylContact O-C 3.32Å; A511-I577 WeakPolarHBondContact O-CA 3.44Å; F513-I577 HydrophobicContact CD2-CG2 3.68Å; F513-I577 HydrophobicContact CE2-CG2 4.02Å; F562-I577 HydrophobicContact CZ-CD1 4.24Å; F562-I577 HydrophobicContact CZ-CG1 4.17Å; I575-I577 HydrophobicContact CB-CD1 4.29Å; I575-I577 HydrophobicContact CG2-CD1 4.02Å; I575-I577 HydrophobicContact CG2-CG1 4.08Å; I575-I577 WeakPolarHBondContact O-CD1 3.44Å; I577-L579 HydrophobicContact CG2-CD2 3.69Å; I577-L579 HydrophobicContact CG2-CG 4.15Å; I577-V589 HydrophobicContact CD1-CG1 3.72Å; I577-V589 HydrophobicContact CG1-CG1 3.94Å; I577-V589 HydrophobicContact CG1-CG2 4.39Å; I577-V589 HydrophobicContact CG2-CG2 4.18Å; I577-T601 HydrophobicContact CD1-CG2 3.94Å; I577-Q602 PolarHBondContact N-O 3.38Å; I577-C603 CarbonylContact O-C 3.44Å; I577-C603 WeakPolarHBondContact O-CA 2.94Å; I577-V604 PolarHBondContact O-N 2.97Å
578	V	98.4	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.8	175.1	-175.2	0	0	0	0	109.4	I510 A511 C512 F513 A514 V519 L524 V604 A606 V609	I510-V578 HydrophobicContact CG2-CG2 4.39Å; A511-V578 PolarHBondContact O-N 3.44Å; C512-V578 HydrophobicContact CB-CB 4.28Å; F513-V578 WeakPolarHBondContact CA-O 3.39Å; F513-V578 PolarHBondContact N-O 2.89Å; A514-V578 HydrophobicContact CB-CG1 4.47Å; V519-V578 HydrophobicContact CG2-CG1 4.46Å; L524-V578 HydrophobicContact CD2-CG2 4.01Å; V578-V604 CarbonylContact C-O 3.39Å; V578-V604 WeakPolarHBondContact CA-O 3.45Å; V578-A606 HydrophobicContact CG1-CB 4.39Å; V578-V609 HydrophobicContact CB-CG2 4.49Å; V578-V609 HydrophobicContact CG1-CB 4.41Å; V578-V609 HydrophobicContact CG1-CG2 3.8Å; V578-V609 HydrophobicContact CG2-CG2 3.91Å
579	L	97.7	Very high	95.4	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	141.3	-176.2	-61.8	178	0	0	0	111.6	F513 I577 G581 T583 V585 Y586 C603 V604 Q605 A606	F513-L579 HydrophobicContact CB-CD2 4.21Å; I577-L579 HydrophobicContact CG2-CD2 3.69Å; I577-L579 HydrophobicContact CG2-CG 4.15Å; L579-G581 PolarHBondContact O-N 3.47Å; L579-G581 VanDerWaalsContact O-N 3.12Å; L579-T583 HydrophobicContact CB-CG2 4.25Å; L579-T583 HydrophobicContact CD1-CG2 4.42Å; L579-T583 HydrophobicContact CD2-CG2 4.08Å; L579-T583 HydrophobicContact CG-CG2 4.49Å; L579-V585 HydrophobicContact CD2-CB 4.22Å; L579-V585 HydrophobicContact CD2-CG1 3.76Å; L579-Y586 HydrophobicContact CD1-CD2 3.85Å; L579-Y586 HydrophobicContact CD1-CG 4.42Å; L579-C603 HydrophobicContact CD1-CB 3.89Å; L579-C603 HydrophobicContact CG-CB 4.48Å; L579-V604 PolarHBondContact N-O 3.06Å; L579-Q605 CarbonylContact O-C 3.46Å; L579-Q605 WeakPolarHBondContact O-CA 3.45Å; L579-A606 WeakPolarHBondContact O-CB 3.27Å; L579-A606 PolarHBondContact O-N 2.82Å
580	P	94.6	Very high	95.4	Very high	77 Å²	77	39.8 Å²	39.8	50%	0.5	22%	0.224	S	C	.	.			trans	-71.3	-6	-178.4	29.3	-35.3	0	0	0	113.9	F513 A514 T583	F513-P580 WeakPolarHBondContact O-CD 3.1Å; A514-P580 HydrophobicContact CB-CB 4.27Å; P580-T583 HydrophobicContact CG-CG2 4.49Å
581	G	92.1	Very high	95.5	Very high	25 Å²	25	34.3 Å²	34.3	26%	0.258	20%	0.196	S	C	.	.	S	Bend	trans	146.3	-136.1	-176	0	0	0	0	0	110.9	L579 T583	L579-G581 PolarHBondContact O-N 3.47Å; L579-G581 VanDerWaalsContact O-N 3.12Å; G581-T583 PolarHBondContact O-N 3.27Å
582	K	88.6	Confident	95.7	Very high	175 Å²	175	31.4 Å²	31.4	76%	0.761	17%	0.166	S	C	*	.	S	Bend	trans	-79.3	115.1	172.9	-168.6	178.4	-171.9	175.9	0	108.6	D415	D415-K582 IonicContact OD1-NZ 3.46Å; D415-K582 IonicContact OD2-NZ 2.87Å; D415-K582 PolarHBondContact OD2-NZ 2.98Å
583	T	91.9	Very high	95.6	Very high	35 Å²	35	30.3 Å²	30.3	22%	0.215	16%	0.16	C	C	.	.			trans	-148.3	145.8	-174.8	171.8	0	0	0	0	110.1	L579 P580 G581 V585 Y586	L579-T583 HydrophobicContact CB-CG2 4.25Å; L579-T583 HydrophobicContact CD1-CG2 4.42Å; L579-T583 HydrophobicContact CD2-CG2 4.08Å; L579-T583 HydrophobicContact CG-CG2 4.49Å; P580-T583 HydrophobicContact CG-CG2 4.49Å; G581-T583 PolarHBondContact O-N 3.27Å; T583-V585 HydrophobicContact CG2-CB 3.93Å; T583-V585 HydrophobicContact CG2-CG2 4.5Å; T583-V585 PolarHBondContact O-N 2.94Å; T583-V585 WeakPolarHBondContact OG1-CG2 3.43Å; T583-V585 PolarHBondContact OG1-N 3.04Å; T583-Y586 PolarHBondContact O-N 2.87Å
584	P	92.4	Very high	95.6	Very high	91 Å²	91	28.1 Å²	28.1	59%	0.591	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.5	172.8	24.9	-35.2	0	0	0	113	V555 Y586 A587 E588	V555-P584 HydrophobicContact CG2-CB 3.93Å; V555-P584 HydrophobicContact CG2-CG 3.72Å; P584-Y586 PolarHBondContact O-N 3.34Å; P584-A587 PolarHBondContact O-N 2.86Å; P584-E588 PolarHBondContact O-N 3.45Å
585	V	95.7	Very high	95.4	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-53.4	-32.1	176.8	177.3	0	0	0	0	112.2	F513 V555 V558 L579 T583 A587 E588 V589	F513-V585 HydrophobicContact CB-CG1 4.31Å; F513-V585 HydrophobicContact CD1-CG1 3.69Å; F513-V585 HydrophobicContact CD1-CG2 4.24Å; F513-V585 HydrophobicContact CD2-CG1 4.14Å; F513-V585 HydrophobicContact CE1-CG1 3.97Å; F513-V585 HydrophobicContact CE2-CG1 4.38Å; F513-V585 HydrophobicContact CG-CG1 3.78Å; F513-V585 HydrophobicContact CZ-CG1 4.31Å; V555-V585 HydrophobicContact CG2-CG2 3.89Å; V558-V585 HydrophobicContact CG2-CG1 3.93Å; L579-V585 HydrophobicContact CD2-CB 4.22Å; L579-V585 HydrophobicContact CD2-CG1 3.76Å; T583-V585 HydrophobicContact CG2-CB 3.93Å; T583-V585 HydrophobicContact CG2-CG2 4.5Å; T583-V585 PolarHBondContact O-N 2.94Å; T583-V585 WeakPolarHBondContact OG1-CG2 3.43Å; T583-V585 PolarHBondContact OG1-N 3.04Å; V585-A587 PolarHBondContact O-N 3.36Å; V585-E588 PolarHBondContact O-N 3.36Å; V585-V589 HydrophobicContact CG1-CG2 3.99Å; V585-V589 WeakPolarHBondContact O-CB 3.32Å; V585-V589 WeakPolarHBondContact O-CG2 3.17Å; V585-V589 PolarHBondContact O-N 3.22Å
586	Y	96.1	Very high	95.2	Very high	69 Å²	69	31.3 Å²	31.3	27%	0.271	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-46.1	177.2	178.2	-92.2	0	0	0	112.4	L579 T583 P584 E588 V589 K590 C603 Y872	L579-Y586 HydrophobicContact CD1-CD2 3.85Å; L579-Y586 HydrophobicContact CD1-CG 4.42Å; T583-Y586 PolarHBondContact O-N 2.87Å; P584-Y586 PolarHBondContact O-N 3.34Å; Y586-E588 VanDerWaalsContact C-N 3.33Å; Y586-V589 PolarHBondContact O-N 3.22Å; Y586-K590 HydrophobicContact CD1-CG 4.46Å; Y586-K590 HydrophobicContact CE1-CG 4.02Å; Y586-K590 HydrophobicContact CE2-CG 4.47Å; Y586-K590 WeakPolarHBondContact O-CG 3.35Å; Y586-K590 PolarHBondContact O-N 3.45Å; Y586-C603 HydrophobicContact CD2-CB 4.18Å; Y586-C603 HydrophobicContact CE2-CB 4.17Å; Y586-Y872 AromaticContact CD1-CD1 3.91Å; Y586-Y872 HydrophobicContact CD1-CD1 3.91Å; Y586-Y872 AromaticContact CD1-CE1 3.78Å; Y586-Y872 HydrophobicContact CD1-CE1 3.78Å; Y586-Y872 HydrophobicContact CD1-CG 4.34Å; Y586-Y872 HydrophobicContact CE1-CD1 4.06Å; Y586-Y872 AromaticContact CE1-CD2 3.99Å; Y586-Y872 HydrophobicContact CE1-CD2 3.99Å; Y586-Y872 AromaticContact CE1-CE1 3.98Å; Y586-Y872 HydrophobicContact CE1-CE1 3.98Å; Y586-Y872 AromaticContact CE1-CE2 3.91Å; Y586-Y872 HydrophobicContact CE1-CE2 3.91Å; Y586-Y872 HydrophobicContact CE1-CG 4.06Å; Y586-Y872 AromaticContact CE1-CZ 3.9Å
587	A	95.2	Very high	95.1	Very high	12 Å²	12	32 Å²	32	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-44.6	-178.5	0	0	0	0	0	110.1	P584 V585 K590 R591 Y872 V875	P584-A587 PolarHBondContact O-N 2.86Å; V585-A587 PolarHBondContact O-N 3.36Å; A587-K590 PolarHBondContact O-N 3.49Å; A587-K590 VanDerWaalsContact O-N 3.14Å; A587-R591 PolarHBondContact O-N 3.4Å; A587-Y872 HydrophobicContact CB-CD1 4.02Å; A587-V875 HydrophobicContact CB-CB 4.26Å; A587-V875 HydrophobicContact CB-CG2 4.33Å
588	E	95.8	Very high	94.9	Very high	15 Å²	15	32.9 Å²	32.9	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-42.6	179.9	-176.7	63.8	-175.6	0	0	112.9	V555 V558 P584 V585 Y586 K590 R591 V592	V555-E588 HydrophobicContact CG1-CB 3.54Å; V555-E588 HydrophobicContact CG1-CG 3.61Å; V558-E588 HydrophobicContact CB-CG 3.77Å; V558-E588 HydrophobicContact CG1-CG 4.03Å; V558-E588 HydrophobicContact CG2-CB 4.41Å; V558-E588 HydrophobicContact CG2-CG 3.99Å; P584-E588 PolarHBondContact O-N 3.45Å; V585-E588 PolarHBondContact O-N 3.36Å; Y586-E588 VanDerWaalsContact C-N 3.33Å; E588-K590 PolarHBondContact O-N 3.34Å; E588-R591 PolarHBondContact O-N 3.03Å; E588-R591 VanDerWaalsContact O-N 3.17Å; E588-R591 IonicContact OE1-CZ 3.07Å; E588-R591 IonicContact OE1-NE 3.5Å; E588-R591 PolarHBondContact OE1-NE 3.36Å; E588-R591 IonicContact OE1-NH2 3.43Å; E588-R591 PolarHBondContact OE1-NH2 3.27Å; E588-R591 IonicContact OE2-CZ 2.92Å; E588-R591 IonicContact OE2-NE 3.02Å; E588-R591 PolarHBondContact OE2-NE 2.91Å; E588-R591 IonicContact OE2-NH2 3.71Å; E588-V592 HydrophobicContact CG-CG2 4.17Å; E588-V592 WeakPolarHBondContact O-CB 3.36Å; E588-V592 WeakPolarHBondContact O-CG2 3.27Å; E588-V592 PolarHBondContact O-N 3.13Å; E588-V592 WeakPolarHBondContact OE1-CG2 3.41Å
589	V	97	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.2	-38	173.4	164.6	0	0	0	0	111.6	V558 F562 I577 V585 Y586 G593 T601	V558-V589 HydrophobicContact CG1-CB 4.41Å; V558-V589 HydrophobicContact CG1-CG2 3.76Å; V558-V589 HydrophobicContact CG2-CG2 4.04Å; F562-V589 HydrophobicContact CE2-CG1 4.4Å; F562-V589 HydrophobicContact CZ-CG1 4.08Å; F562-V589 HydrophobicContact CZ-CG2 4.36Å; I577-V589 HydrophobicContact CD1-CG1 3.72Å; I577-V589 HydrophobicContact CG1-CG1 3.94Å; I577-V589 HydrophobicContact CG1-CG2 4.39Å; I577-V589 HydrophobicContact CG2-CG2 4.18Å; V585-V589 HydrophobicContact CG1-CG2 3.99Å; V585-V589 WeakPolarHBondContact O-CB 3.32Å; V585-V589 WeakPolarHBondContact O-CG2 3.17Å; V585-V589 PolarHBondContact O-N 3.22Å; Y586-V589 PolarHBondContact O-N 3.22Å; V589-G593 PolarHBondContact O-N 2.71Å; V589-T601 HydrophobicContact CG1-CG2 4.12Å
590	K	96.3	Very high	94.8	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-76.5	-37	177.5	-63.3	-47.2	175.2	-169.1	0	113	Y586 A587 E588 D594 T601 H873	Y586-K590 HydrophobicContact CD1-CG 4.46Å; Y586-K590 HydrophobicContact CE1-CG 4.02Å; Y586-K590 HydrophobicContact CE2-CG 4.47Å; Y586-K590 WeakPolarHBondContact O-CG 3.35Å; Y586-K590 PolarHBondContact O-N 3.45Å; A587-K590 PolarHBondContact O-N 3.49Å; A587-K590 VanDerWaalsContact O-N 3.14Å; E588-K590 PolarHBondContact O-N 3.34Å; K590-D594 WeakPolarHBondContact O-CB 3.5Å; K590-D594 PolarHBondContact O-N 3.3Å; K590-T601 PolarHBondContact NZ-O 3.24Å; K590-T601 PolarHBondContact NZ-OG1 2.94Å; K590-H873 PolarHBondContact O-NE2 3.2Å
591	R	94.6	Very high	94.9	Very high	64 Å²	64	30.5 Å²	30.5	24%	0.242	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-59.6	172.2	-169.4	-170.5	72.9	83	5.8	109.9	E559 A587 E588 G593 T595 I596	E559-R591 IonicContact OE2-CZ 3.25Å; E559-R591 IonicContact OE2-NH2 2.79Å; E559-R591 PolarHBondContact OE2-NH2 2.76Å; A587-R591 PolarHBondContact O-N 3.4Å; E588-R591 PolarHBondContact O-N 3.03Å; E588-R591 VanDerWaalsContact O-N 3.17Å; E588-R591 IonicContact OE1-CZ 3.07Å; E588-R591 IonicContact OE1-NE 3.5Å; E588-R591 PolarHBondContact OE1-NE 3.36Å; E588-R591 IonicContact OE1-NH2 3.43Å; E588-R591 PolarHBondContact OE1-NH2 3.27Å; E588-R591 IonicContact OE2-CZ 2.92Å; E588-R591 IonicContact OE2-NE 3.02Å; E588-R591 PolarHBondContact OE2-NE 2.91Å; E588-R591 IonicContact OE2-NH2 3.71Å; R591-G593 PolarHBondContact O-N 3.07Å; R591-T595 PolarHBondContact O-N 3.14Å; R591-T595 PolarHBondContact O-OG1 3.49Å; R591-I596 PolarHBondContact O-N 2.95Å
592	V	95.9	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-60.2	-47	-177.9	179.3	0	0	0	0	111.8	V558 E559 F562 E588 I596 L597	V558-V592 HydrophobicContact CG1-CB 4.22Å; V558-V592 HydrophobicContact CG1-CG2 4.06Å; E559-V592 HydrophobicContact CB-CG1 4.27Å; E559-V592 HydrophobicContact CB-CG2 3.79Å; E559-V592 HydrophobicContact CG-CG1 4.2Å; E559-V592 HydrophobicContact CG-CG2 4.22Å; F562-V592 HydrophobicContact CB-CG1 3.89Å; F562-V592 HydrophobicContact CD2-CB 4.23Å; F562-V592 HydrophobicContact CD2-CG1 3.62Å; F562-V592 HydrophobicContact CE2-CG1 4.46Å; F562-V592 HydrophobicContact CG-CG1 4.06Å; E588-V592 HydrophobicContact CG-CG2 4.17Å; E588-V592 WeakPolarHBondContact O-CB 3.36Å; E588-V592 WeakPolarHBondContact O-CG2 3.27Å; E588-V592 PolarHBondContact O-N 3.13Å; E588-V592 WeakPolarHBondContact OE1-CG2 3.41Å; V592-I596 HydrophobicContact CB-CD1 4.22Å; V592-I596 HydrophobicContact CG1-CD1 4.49Å; V592-I596 HydrophobicContact CG2-CD1 3.87Å; V592-I596 PolarHBondContact O-N 3.13Å; V592-L597 HydrophobicContact CG1-CD1 3.68Å; V592-L597 HydrophobicContact CG1-CG 4.14Å; V592-L597 PolarHBondContact O-N 2.94Å
593	G	96.3	Very high	95.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-66.8	-50.1	-178.9	0	0	0	0	0	113.3	V589 R591 G598 I599	V589-G593 PolarHBondContact O-N 2.71Å; R591-G593 PolarHBondContact O-N 3.07Å; G593-G598 CarbonylContact O-C 3.51Å; G593-G598 WeakPolarHBondContact O-CA 3.43Å; G593-G598 PolarHBondContact O-N 3.04Å; G593-I599 PolarHBondContact O-N 3.26Å
594	D	96.1	Very high	96	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.027	12%	0.12	C	C	.	.	I	π-helix	trans	-86.4	-34.6	-170.4	-50.6	-30.1	0	0	0	112.9	K590 R869 H873 V905 H906 Y914	K590-D594 WeakPolarHBondContact O-CB 3.5Å; K590-D594 PolarHBondContact O-N 3.3Å; D594-R869 IonicContact OD1-NH1 3.61Å; D594-R869 PolarHBondContact OD1-NH1 3.36Å; D594-R869 WeakPolarHBondContact OD2-CD 3.4Å; D594-R869 IonicContact OD2-CZ 2.7Å; D594-R869 IonicContact OD2-NE 3.82Å; D594-R869 IonicContact OD2-NH1 3.76Å; D594-R869 PolarHBondContact OD2-NH1 3.35Å; D594-H873 IonicContact OD2-CE1 3.86Å; D594-H873 IonicContact OD2-NE2 3.6Å; D594-H873 PolarHBondContact OD2-NE2 3.12Å; D594-V905 HydrophobicContact CB-CG1 4.46Å; D594-V905 WeakPolarHBondContact O-CB 3.48Å; D594-H906 WeakPolarHBondContact O-CB 3.45Å; D594-H906 PolarHBondContact O-N 3.31Å; D594-Y914 HydrophobicContact CB-CD2 3.99Å
595	T	94.1	Very high	96.2	Very high	26 Å²	26	19.8 Å²	19.8	16%	0.16	11%	0.105	C	C	.	.	I	π-helix	trans	-106.6	-37.8	-171.2	74.2	0	0	0	0	113.9	R591 Q904 V905	R591-T595 PolarHBondContact O-N 3.14Å; R591-T595 PolarHBondContact O-OG1 3.49Å; T595-Q904 WeakPolarHBondContact CB-O 3.22Å; T595-V905 HydrophobicContact CG2-CG1 4.42Å
596	I	94	Very high	96.2	Very high	45 Å²	45	20 Å²	20	23%	0.231	11%	0.107	C	C	.	.	I	π-helix	trans	-89.9	-52.2	-174.8	-51.1	172.7	0	0	0	112.1	R591 V592 H906	R591-I596 PolarHBondContact O-N 2.95Å; V592-I596 HydrophobicContact CB-CD1 4.22Å; V592-I596 HydrophobicContact CG1-CD1 4.49Å; V592-I596 HydrophobicContact CG2-CD1 3.87Å; V592-I596 PolarHBondContact O-N 3.13Å; I596-H906 PolarHBondContact O-CD2 3.13Å
597	L	95.1	Very high	96.2	Very high	14 Å²	14	21.8 Å²	21.8	7%	0.073	12%	0.117	C	C	.	.	I	π-helix	trans	-110	-15	-167.4	-61	178.9	0	0	0	114	F562 R563 K566 V592 I599	F562-L597 HydrophobicContact CB-CD1 3.49Å; F562-L597 VanDerWaalsContact CB-CD1 3.49Å; R563-L597 HydrophobicContact CG-CD1 4.03Å; R563-L597 HydrophobicContact CG-CD2 4.14Å; K566-L597 HydrophobicContact CD-CB 4.35Å; K566-L597 PolarHBondContact NZ-O 3.29Å; V592-L597 HydrophobicContact CG1-CD1 3.68Å; V592-L597 HydrophobicContact CG1-CG 4.14Å; V592-L597 PolarHBondContact O-N 2.94Å; L597-I599 VanDerWaalsContact C-N 3.35Å; L597-I599 HydrophobicContact CB-CD1 3.87Å; L597-I599 HydrophobicContact CB-CG1 3.9Å; L597-I599 HydrophobicContact CD1-CD1 4.09Å; L597-I599 PolarHBondContact O-N 2.7Å
598	G	95.1	Very high	96.3	Very high	19 Å²	19	23.4 Å²	23.4	20%	0.196	12%	0.124	C	C	.	.			trans	64.1	35.2	180	0	0	0	0	0	114	G593	G593-G598 CarbonylContact O-C 3.51Å; G593-G598 WeakPolarHBondContact O-CA 3.43Å; G593-G598 PolarHBondContact O-N 3.04Å
599	I	95.5	Very high	96.4	Very high	11 Å²	11	22.7 Å²	22.7	6%	0.056	12%	0.12	C	C	.	.			trans	-102.7	132.1	-179	-52.2	171.7	0	0	0	109.5	F562 K566 I575 G593 L597 T601	F562-I599 HydrophobicContact CB-CD1 4.45Å; K566-I599 HydrophobicContact CB-CD1 3.85Å; K566-I599 HydrophobicContact CD-CD1 4.06Å; K566-I599 HydrophobicContact CD-CG1 4.22Å; K566-I599 HydrophobicContact CG-CD1 4.23Å; I575-I599 HydrophobicContact CD1-CD1 4.28Å; I575-I599 HydrophobicContact CD1-CG2 3.76Å; I575-I599 HydrophobicContact CG1-CG2 3.94Å; G593-I599 PolarHBondContact O-N 3.26Å; L597-I599 VanDerWaalsContact C-N 3.35Å; L597-I599 HydrophobicContact CB-CD1 3.87Å; L597-I599 HydrophobicContact CB-CG1 3.9Å; L597-I599 HydrophobicContact CD1-CD1 4.09Å; L597-I599 PolarHBondContact O-N 2.7Å; I599-T601 PolarHBondContact O-N 2.99Å
600	A	97.3	Very high	96.4	Very high	23 Å²	23	25.8 Å²	25.8	19%	0.19	14%	0.137	C	C	.	.			trans	-67	127.5	177.1	0	0	0	0	0	111.2	Q573 L574 I575 L628	Q573-A600 WeakPolarHBondContact O-CB 3.34Å; L574-A600 HydrophobicContact CD1-CB 4.42Å; I575-A600 PolarHBondContact N-O 2.9Å; A600-L628 HydrophobicContact CB-CD2 3.81Å
601	T	98.2	Very high	96.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.6	-178.2	57.9	0	0	0	0	112.6	F562 I575 I577 V589 K590 I599 K627	F562-T601 HydrophobicContact CE2-CG2 3.54Å; F562-T601 HydrophobicContact CZ-CG2 3.91Å; I575-T601 WeakPolarHBondContact O-CA 3.48Å; I577-T601 HydrophobicContact CD1-CG2 3.94Å; V589-T601 HydrophobicContact CG1-CG2 4.12Å; K590-T601 PolarHBondContact NZ-O 3.24Å; K590-T601 PolarHBondContact NZ-OG1 2.94Å; I599-T601 PolarHBondContact O-N 2.99Å; T601-K627 PolarHBondContact O-NZ 2.84Å
602	Q	98.2	Very high	96.4	Very high	8 Å²	8	32.1 Å²	32.1	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	106.8	174.4	-177.1	52	53.8	0	0	111.8	L574 I575 V576 I577 L620 K623 I624	L574-Q602 HydrophobicContact CD1-CB 4.01Å; I575-Q602 PolarHBondContact O-N 2.9Å; V576-Q602 CarbonylContact C-O 3.52Å; V576-Q602 WeakPolarHBondContact CA-O 3.44Å; I577-Q602 PolarHBondContact N-O 3.38Å; Q602-L620 HydrophobicContact CG-CD1 3.49Å; Q602-L620 VanDerWaalsContact CG-CD1 3.49Å; Q602-L620 HydrophobicContact CG-CG 4.22Å; Q602-K623 VanDerWaalsContact OE1-CE 3.28Å; Q602-I624 HydrophobicContact CB-CG1 4.12Å; Q602-I624 HydrophobicContact CG-CD1 4.18Å; Q602-I624 HydrophobicContact CG-CG1 3.8Å
603	C	98.1	Very high	96.4	Very high	19 Å²	19	34.7 Å²	34.7	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	142.2	178	-50	0	0	0	0	111.5	I577 L579 Y586	I577-C603 CarbonylContact O-C 3.44Å; I577-C603 WeakPolarHBondContact O-CA 2.94Å; L579-C603 HydrophobicContact CD1-CB 3.89Å; L579-C603 HydrophobicContact CG-CB 4.48Å; Y586-C603 HydrophobicContact CD2-CB 4.18Å; Y586-C603 HydrophobicContact CE2-CB 4.17Å
604	V	98.1	Very high	96.3	Very high	12 Å²	12	39 Å²	39	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.4	175.7	-172.9	0	0	0	0	108.4	F527 V576 I577 V578 L579 N608 V609 L620	F527-V604 HydrophobicContact CE2-CG1 4.47Å; F527-V604 HydrophobicContact CZ-CG2 4.35Å; V576-V604 HydrophobicContact CG1-CG2 4.27Å; I577-V604 PolarHBondContact O-N 2.97Å; V578-V604 CarbonylContact C-O 3.39Å; V578-V604 WeakPolarHBondContact CA-O 3.45Å; L579-V604 PolarHBondContact N-O 3.06Å; V604-N608 HydrophobicContact CG1-CB 3.95Å; V604-V609 HydrophobicContact CB-CG2 4.31Å; V604-V609 HydrophobicContact CG1-CG2 3.82Å; V604-L620 HydrophobicContact CG2-CD1 3.86Å; V604-L620 HydrophobicContact CG2-CD2 3.69Å; V604-L620 HydrophobicContact CG2-CG 4.45Å
605	Q	97	Very high	96.2	Very high	61 Å²	61	42.3 Å²	42.3	29%	0.285	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	141.3	174.7	-70.5	-172.6	-19.4	0	0	110.4	L579 K607 N608 V609	L579-Q605 CarbonylContact O-C 3.46Å; L579-Q605 WeakPolarHBondContact O-CA 3.45Å; Q605-K607 VanDerWaalsContact C-N 3.26Å; Q605-K607 HydrophobicContact CB-CG 4.18Å; Q605-K607 PolarHBondContact O-N 3.14Å; Q605-N608 WeakPolarHBondContact O-CB 3.29Å; Q605-N608 PolarHBondContact O-N 3.18Å; Q605-V609 PolarHBondContact O-N 3.44Å
606	A	97.1	Very high	96.2	Very high	11 Å²	11	43 Å²	43	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-46	-49	177.9	0	0	0	0	0	112	A514 V519 V578 L579 N608 V609 N610	A514-A606 HydrophobicContact CB-CB 4.14Å; V519-A606 HydrophobicContact CG2-CB 3.59Å; V578-A606 HydrophobicContact CG1-CB 4.39Å; L579-A606 WeakPolarHBondContact O-CB 3.27Å; L579-A606 PolarHBondContact O-N 2.82Å; A606-N608 PolarHBondContact O-N 2.95Å; A606-V609 CarbonylContact O-C 3.52Å; A606-V609 WeakPolarHBondContact O-CA 3.48Å; A606-V609 VanDerWaalsContact O-CB 3.32Å; A606-V609 WeakPolarHBondContact O-CB 3.35Å; A606-V609 PolarHBondContact O-N 3.4Å; A606-N610 PolarHBondContact O-N 3.32Å; A606-N610 PolarHBondContact O-OD1 3.35Å
607	K	96.1	Very high	96.3	Very high	108 Å²	108	41 Å²	41	47%	0.47	22%	0.222	S	C	.	.	H	α-helix	trans	-51.6	-32.7	177.6	77.6	-170.5	-167.3	-162	0	114.9	Q605 K611	Q605-K607 VanDerWaalsContact C-N 3.26Å; Q605-K607 HydrophobicContact CB-CG 4.18Å; Q605-K607 PolarHBondContact O-N 3.14Å; K607-K611 PolarHBondContact O-N 3.06Å; K607-K611 VanDerWaalsContact O-N 3.16Å
608	N	96.6	Very high	96.4	Very high	46 Å²	46	41.3 Å²	41.3	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-85.6	-14.4	179.4	-63.6	-18.8	0	0	0	112.7	V604 Q605 A606 T616	V604-N608 HydrophobicContact CG1-CB 3.95Å; Q605-N608 WeakPolarHBondContact O-CB 3.29Å; Q605-N608 PolarHBondContact O-N 3.18Å; A606-N608 PolarHBondContact O-N 2.95Å; N608-T616 HydrophobicContact CB-CG2 4.34Å
609	V	97.4	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-84.5	-48.8	170.1	176.2	0	0	0	0	109.5	V519 L524 F527 V578 V604 Q605 A606 K611	V519-V609 HydrophobicContact CG1-CG1 4.04Å; L524-V609 HydrophobicContact CD2-CG1 4.03Å; F527-V609 HydrophobicContact CB-CG1 3.76Å; F527-V609 HydrophobicContact CD1-CG1 4.48Å; F527-V609 HydrophobicContact CD2-CB 4.42Å; F527-V609 HydrophobicContact CD2-CG1 4.41Å; F527-V609 HydrophobicContact CD2-CG2 4.15Å; F527-V609 HydrophobicContact CE2-CG2 4.34Å; F527-V609 HydrophobicContact CG-CB 4.46Å; F527-V609 HydrophobicContact CG-CG1 3.97Å; F527-V609 HydrophobicContact CG-CG2 4.32Å; V578-V609 HydrophobicContact CB-CG2 4.49Å; V578-V609 HydrophobicContact CG1-CB 4.41Å; V578-V609 HydrophobicContact CG1-CG2 3.8Å; V578-V609 HydrophobicContact CG2-CG2 3.91Å; V604-V609 HydrophobicContact CB-CG2 4.31Å; V604-V609 HydrophobicContact CG1-CG2 3.82Å; Q605-V609 PolarHBondContact O-N 3.44Å; A606-V609 CarbonylContact O-C 3.52Å; A606-V609 WeakPolarHBondContact O-CA 3.48Å; A606-V609 VanDerWaalsContact O-CB 3.32Å; A606-V609 WeakPolarHBondContact O-CB 3.35Å; A606-V609 PolarHBondContact O-N 3.4Å; V609-K611 VanDerWaalsContact C-N 3.3Å; V609-K611 PolarHBondContact O-N 3.14Å
610	N	96.3	Very high	96.5	Very high	64 Å²	64	43.1 Å²	43.1	34%	0.342	23%	0.23	S	C	.	.	H	α-helix	trans	-59.4	-39.8	176.5	-65.9	84	0	0	0	112.2	H518 D523 A606	H518-N610 PolarHBondContact O-ND2 3.43Å; D523-N610 PolarHBondContact OD2-ND2 3.29Å; A606-N610 PolarHBondContact O-N 3.32Å; A606-N610 PolarHBondContact O-OD1 3.35Å
611	K	95.8	Very high	96.5	Very high	169 Å²	169	42 Å²	42	74%	0.735	22%	0.221	S	C	*	.	S	Bend	trans	-128.4	91.1	178.2	-167.5	171.7	-176.1	172.8	0	110.7	K607 V609	K607-K611 PolarHBondContact O-N 3.06Å; K607-K611 VanDerWaalsContact O-N 3.16Å; V609-K611 VanDerWaalsContact C-N 3.3Å; V609-K611 PolarHBondContact O-N 3.14Å
612	T	95.8	Very high	96.5	Very high	31 Å²	31	42 Å²	42	19%	0.19	22%	0.221	C	C	.	.			trans	-75	149.5	177.3	57.2	0	0	0	0	111.5	F527 L617	F527-T612 HydrophobicContact CB-CG2 4.22Å; F527-T612 HydrophobicContact CD2-CG2 3.78Å; T612-L617 HydrophobicContact CG2-CD1 4.39Å; T612-L617 HydrophobicContact CG2-CD2 4.42Å
613	T	95.7	Very high	96.5	Very high	55 Å²	55	43.1 Å²	43.1	34%	0.337	23%	0.226	S	C	.	.			trans	-133.8	146.3	166.3	73.2	0	0	0	0	109.1	Q615 T616 L617	T613-Q615 PolarHBondContact O-N 3.23Å; T613-T616 PolarHBondContact O-N 3.04Å; T613-T616 VanDerWaalsContact O-N 3.14Å; T613-T616 WeakPolarHBondContact OG1-CB 3.36Å; T613-T616 PolarHBondContact OG1-N 3.17Å; T613-T616 PolarHBondContact OG1-OG1 3.35Å; T613-L617 WeakPolarHBondContact O-CG 3.39Å; T613-L617 PolarHBondContact O-N 2.96Å
614	P	94.6	Very high	96.5	Very high	90 Å²	90	42.3 Å²	42.3	58%	0.584	22%	0.22	S	C	*	.	H	α-helix	trans	-54.8	-38.8	178.7	-28.1	35.4	0	0	0	113	I534 L617 S618	I534-P614 HydrophobicContact CD1-CB 4.11Å; P614-L617 PolarHBondContact O-N 3.2Å; P614-S618 VanDerWaalsContact O-CB 3.28Å; P614-S618 WeakPolarHBondContact O-CB 3.42Å; P614-S618 PolarHBondContact O-N 3.49Å
615	Q	93.1	Very high	96.5	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-65.7	-44.4	178.2	-176	64.5	56.3	0	0	112.5	F16 T613 L617 S618 N619	F16-Q615 HydrophobicContact CD1-CG 4.35Å; F16-Q615 HydrophobicContact CE1-CG 4.16Å; T613-Q615 PolarHBondContact O-N 3.23Å; Q615-L617 VanDerWaalsContact C-N 3.34Å; Q615-S618 PolarHBondContact O-N 3.38Å; Q615-N619 PolarHBondContact NE2-ND2 3.33Å; Q615-N619 PolarHBondContact NE2-OD1 2.69Å; Q615-N619 VanDerWaalsContact NE2-OD1 3.15Å; Q615-N619 WeakPolarHBondContact O-CB 3.24Å; Q615-N619 VanDerWaalsContact O-CG 3.31Å; Q615-N619 PolarHBondContact O-N 2.84Å; Q615-N619 PolarHBondContact O-ND2 2.76Å
616	T	94.4	Very high	96.5	Very high	39 Å²	39	39 Å²	39	24%	0.239	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-42	178.3	-62.4	0	0	0	0	110.8	N608 T613 N619 L620	N608-T616 HydrophobicContact CB-CG2 4.34Å; T613-T616 PolarHBondContact O-N 3.04Å; T613-T616 VanDerWaalsContact O-N 3.14Å; T613-T616 WeakPolarHBondContact OG1-CB 3.36Å; T613-T616 PolarHBondContact OG1-N 3.17Å; T613-T616 PolarHBondContact OG1-OG1 3.35Å; T616-N619 PolarHBondContact O-N 2.84Å; T616-L620 WeakPolarHBondContact O-CB 3.3Å; T616-L620 PolarHBondContact O-N 2.99Å
617	L	96.5	Very high	96.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-41.7	177.9	-65.9	177	0	0	0	112	F527 Q530 L531 I534 T612 T613 P614 Q615 N619 L620 C621	F527-L617 HydrophobicContact CD2-CD2 4.08Å; F527-L617 HydrophobicContact CE2-CD2 3.68Å; Q530-L617 HydrophobicContact CB-CD1 3.54Å; L531-L617 HydrophobicContact CD1-CD2 4.4Å; I534-L617 HydrophobicContact CB-CB 4.3Å; I534-L617 HydrophobicContact CG1-CB 4.22Å; I534-L617 HydrophobicContact CG1-CD1 4.23Å; I534-L617 HydrophobicContact CG2-CB 4.14Å; T612-L617 HydrophobicContact CG2-CD1 4.39Å; T612-L617 HydrophobicContact CG2-CD2 4.42Å; T613-L617 WeakPolarHBondContact O-CG 3.39Å; T613-L617 PolarHBondContact O-N 2.96Å; P614-L617 PolarHBondContact O-N 3.2Å; Q615-L617 VanDerWaalsContact C-N 3.34Å; L617-N619 VanDerWaalsContact C-N 3.34Å; L617-N619 PolarHBondContact O-N 3.33Å; L617-L620 CarbonylContact O-C 3.53Å; L617-L620 WeakPolarHBondContact O-CA 3.43Å; L617-L620 VanDerWaalsContact O-CB 3.26Å; L617-L620 WeakPolarHBondContact O-CB 3.36Å; L617-L620 PolarHBondContact O-N 3.33Å; L617-C621 PolarHBondContact O-N 3.37Å; L617-C621 PolarHBondContact O-SG 3.38Å; L617-C621 VanDerWaalsContact O-SG 3.34Å
618	S	96.3	Very high	96.5	Very high	21 Å²	21	35.2 Å²	35.2	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-44.4	174.3	178.3	0	0	0	0	111.4	P614 Q615 L620 C621 L622	P614-S618 VanDerWaalsContact O-CB 3.28Å; P614-S618 WeakPolarHBondContact O-CB 3.42Å; P614-S618 PolarHBondContact O-N 3.49Å; Q615-S618 PolarHBondContact O-N 3.38Å; S618-L620 PolarHBondContact O-N 2.91Å; S618-C621 WeakPolarHBondContact O-CB 3.48Å; S618-C621 PolarHBondContact O-N 3.41Å; S618-L622 PolarHBondContact O-N 3.05Å
619	N	96.1	Very high	96.4	Very high	50 Å²	50	33.8 Å²	33.8	27%	0.267	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-28.5	173.9	-72.2	-17.5	0	0	0	113.2	Q615 T616 L617	Q615-N619 PolarHBondContact NE2-ND2 3.33Å; Q615-N619 PolarHBondContact NE2-OD1 2.69Å; Q615-N619 VanDerWaalsContact NE2-OD1 3.15Å; Q615-N619 WeakPolarHBondContact O-CB 3.24Å; Q615-N619 VanDerWaalsContact O-CG 3.31Å; Q615-N619 PolarHBondContact O-N 2.84Å; Q615-N619 PolarHBondContact O-ND2 2.76Å; T616-N619 PolarHBondContact O-N 2.84Å; L617-N619 VanDerWaalsContact C-N 3.34Å; L617-N619 PolarHBondContact O-N 3.33Å
620	L	97.1	Very high	96.4	Very high	17 Å²	17	33.9 Å²	33.9	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-45.8	173.3	-169.1	65.4	0	0	0	110.7	F527 L531 Q602 V604 T616 L617 S618 L622 K623 I624	F527-L620 HydrophobicContact CE2-CD2 4.29Å; F527-L620 HydrophobicContact CZ-CD2 4.07Å; L531-L620 HydrophobicContact CD1-CD2 4.29Å; Q602-L620 HydrophobicContact CG-CD1 3.49Å; Q602-L620 VanDerWaalsContact CG-CD1 3.49Å; Q602-L620 HydrophobicContact CG-CG 4.22Å; V604-L620 HydrophobicContact CG2-CD1 3.86Å; V604-L620 HydrophobicContact CG2-CD2 3.69Å; V604-L620 HydrophobicContact CG2-CG 4.45Å; T616-L620 WeakPolarHBondContact O-CB 3.3Å; T616-L620 PolarHBondContact O-N 2.99Å; L617-L620 CarbonylContact O-C 3.53Å; L617-L620 WeakPolarHBondContact O-CA 3.43Å; L617-L620 VanDerWaalsContact O-CB 3.26Å; L617-L620 WeakPolarHBondContact O-CB 3.36Å; L617-L620 PolarHBondContact O-N 3.33Å; S618-L620 PolarHBondContact O-N 2.91Å; L620-L622 VanDerWaalsContact C-N 3.3Å; L620-L622 PolarHBondContact O-N 2.84Å; L620-K623 WeakPolarHBondContact O-CB 3.09Å; L620-K623 PolarHBondContact O-N 3.27Å; L620-K623 VanDerWaalsContact O-N 3.09Å; L620-I624 HydrophobicContact CD2-CD1 4.46Å; L620-I624 HydrophobicContact CG-CD1 3.98Å; L620-I624 WeakPolarHBondContact O-CG1 3.21Å; L620-I624 PolarHBondContact O-N 2.89Å
621	C	97.9	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-39.9	175.9	-65.7	0	0	0	0	112.1	F499 M540 L617 S618 K623 I624 N625	F499-C621 HydrophobicContact CE2-CB 4.37Å; F499-C621 HydrophobicContact CZ-CB 4.13Å; M540-C621 HydrophobicContact CE-CB 4.07Å; L617-C621 PolarHBondContact O-N 3.37Å; L617-C621 PolarHBondContact O-SG 3.38Å; L617-C621 VanDerWaalsContact O-SG 3.34Å; S618-C621 WeakPolarHBondContact O-CB 3.48Å; S618-C621 PolarHBondContact O-N 3.41Å; C621-K623 PolarHBondContact O-N 2.92Å; C621-I624 PolarHBondContact O-N 3.43Å; C621-I624 VanDerWaalsContact O-N 3.16Å; C621-N625 WeakPolarHBondContact O-CB 3.42Å; C621-N625 PolarHBondContact O-N 3.02Å
622	L	97.8	Very high	96.5	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-51.9	-42.9	173.9	-75.6	175.4	0	0	0	112.5	M494 F499 S618 L620 N632 T851	M494-L622 HydrophobicContact SD-CD2 3.82Å; F499-L622 HydrophobicContact CE1-CD2 3.64Å; F499-L622 HydrophobicContact CE1-CG 4.48Å; F499-L622 HydrophobicContact CZ-CD2 4.3Å; S618-L622 PolarHBondContact O-N 3.05Å; L620-L622 VanDerWaalsContact C-N 3.3Å; L620-L622 PolarHBondContact O-N 2.84Å; L622-N632 HydrophobicContact CD2-CB 4.16Å; L622-N632 VanDerWaalsContact CD2-ND2 3.34Å; L622-N632 WeakPolarHBondContact CD2-ND2 3.3Å; L622-N632 PolarHBondContact O-ND2 3.23Å; L622-T851 HydrophobicContact CD1-CG2 4.42Å
623	K	97.9	Very high	96.6	Very high	31 Å²	31	22.8 Å²	22.8	14%	0.135	13%	0.134	C	C	.	.	H	α-helix	trans	-75.7	-39.8	180	-65.9	166	56	70.7	0	111.9	Q602 L620 C621 K627 R849 A916	Q602-K623 VanDerWaalsContact OE1-CE 3.28Å; L620-K623 WeakPolarHBondContact O-CB 3.09Å; L620-K623 PolarHBondContact O-N 3.27Å; L620-K623 VanDerWaalsContact O-N 3.09Å; C621-K623 PolarHBondContact O-N 2.92Å; K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 2.81Å; K623-K627 VanDerWaalsContact O-N 3.13Å; K623-R849 HydrophobicContact CG-CG 4.29Å; K623-A916 PolarHBondContact NZ-O 3.15Å; K623-A916 PolarHBondContact NZ-OXT 2.99Å
624	I	98.2	Very high	96.7	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-51.5	-178.9	-68	168.8	0	0	0	110	I505 M540 L574 Q602 L620 C621 V626 K627 L628	I505-I624 HydrophobicContact CD1-CG2 3.54Å; M540-I624 HydrophobicContact CE-CB 4.17Å; M540-I624 HydrophobicContact CE-CG2 3.89Å; M540-I624 HydrophobicContact SD-CB 4.07Å; M540-I624 HydrophobicContact SD-CG2 3.74Å; L574-I624 HydrophobicContact CD2-CD1 4.17Å; L574-I624 HydrophobicContact CD2-CG1 4.26Å; L574-I624 HydrophobicContact CD2-CG2 3.71Å; Q602-I624 HydrophobicContact CB-CG1 4.12Å; Q602-I624 HydrophobicContact CG-CD1 4.18Å; Q602-I624 HydrophobicContact CG-CG1 3.8Å; L620-I624 HydrophobicContact CD2-CD1 4.46Å; L620-I624 HydrophobicContact CG-CD1 3.98Å; L620-I624 WeakPolarHBondContact O-CG1 3.21Å; L620-I624 PolarHBondContact O-N 2.89Å; C621-I624 PolarHBondContact O-N 3.43Å; C621-I624 VanDerWaalsContact O-N 3.16Å; I624-V626 VanDerWaalsContact C-N 3.26Å; I624-V626 PolarHBondContact O-N 2.89Å; I624-K627 PolarHBondContact O-N 3.22Å; I624-K627 VanDerWaalsContact O-N 3.1Å; I624-L628 HydrophobicContact CG2-CD1 3.89Å; I624-L628 HydrophobicContact CG2-CG 4.48Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 3.41Å; I624-L628 VanDerWaalsContact O-N 3.14Å
625	N	98.1	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-53.8	-46.7	-176.9	-170.6	48.7	0	0	0	111.5	F499 T501 G502 V503 M540 C621 L628 G629 G630 N632	F499-N625 HydrophobicContact CD2-CB 3.98Å; F499-N625 HydrophobicContact CE2-CB 3.77Å; F499-N625 HydrophobicContact CZ-CB 4.26Å; T501-N625 PolarHBondContact O-ND2 3.02Å; G502-N625 WeakPolarHBondContact CA-OD1 3.43Å; V503-N625 PolarHBondContact N-OD1 2.9Å; M540-N625 HydrophobicContact CG-CB 4.38Å; M540-N625 HydrophobicContact SD-CB 3.64Å; M540-N625 PolarHBondContact SD-N 2.68Å; C621-N625 WeakPolarHBondContact O-CB 3.42Å; C621-N625 PolarHBondContact O-N 3.02Å; N625-L628 CarbonylContact O-C 3.52Å; N625-L628 PolarHBondContact O-N 2.87Å; N625-G629 PolarHBondContact O-N 2.8Å; N625-G630 WeakPolarHBondContact O-CA 3.38Å; N625-G630 PolarHBondContact O-N 3.05Å; N625-N632 WeakPolarHBondContact CB-OD1 3.45Å; N625-N632 PolarHBondContact ND2-OD1 2.95Å
626	V	97.3	Very high	96.9	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.018	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-38.4	-179.7	165.5	0	0	0	0	113.3	I624 L628 G629 N632 V848 M913 A916	I624-V626 VanDerWaalsContact C-N 3.26Å; I624-V626 PolarHBondContact O-N 2.89Å; V626-L628 PolarHBondContact O-N 2.89Å; V626-G629 PolarHBondContact O-N 3.25Å; V626-N632 WeakPolarHBondContact CG2-ND2 3.45Å; V626-V848 HydrophobicContact CB-CG2 4.37Å; V626-V848 HydrophobicContact CG1-CG2 3.98Å; V626-V848 HydrophobicContact CG2-CB 3.79Å; V626-V848 HydrophobicContact CG2-CG1 4.01Å; V626-V848 HydrophobicContact CG2-CG2 3.93Å; V626-M913 HydrophobicContact CG1-CB 3.52Å; V626-M913 HydrophobicContact CG1-CE 4.16Å; V626-M913 HydrophobicContact CG1-CG 4.07Å; V626-M913 HydrophobicContact CG1-SD 3.57Å; V626-M913 VanDerWaalsContact CG1-SD 3.57Å; V626-A916 HydrophobicContact CG1-CB 3.97Å
627	K	97	Very high	96.9	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.035	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-24.2	175.3	-79.5	176.1	175.7	175	0	113	T601 K623 I624 V912 A916	T601-K627 PolarHBondContact O-NZ 2.84Å; K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 2.81Å; K623-K627 VanDerWaalsContact O-N 3.13Å; I624-K627 PolarHBondContact O-N 3.22Å; I624-K627 VanDerWaalsContact O-N 3.1Å; K627-V912 WeakPolarHBondContact O-CB 3.05Å; K627-A916 WeakPolarHBondContact CE-O 3.41Å; K627-A916 HydrophobicContact CG-CB 4.38Å; K627-A916 PolarHBondContact NZ-O 2.86Å
628	L	96.6	Very high	96.6	Very high	32 Å²	32	20 Å²	20	17%	0.168	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.4	176.6	-58.3	178.3	0	0	0	112.6	V503 I505 Q573 A600 I624 N625 V626	V503-L628 HydrophobicContact CB-CB 4.14Å; V503-L628 HydrophobicContact CG1-CB 3.92Å; V503-L628 HydrophobicContact CG1-CD1 4.29Å; V503-L628 HydrophobicContact CG2-CB 4.03Å; I505-L628 HydrophobicContact CD1-CD1 3.45Å; I505-L628 VanDerWaalsContact CD1-CD1 3.45Å; I505-L628 HydrophobicContact CG1-CD1 3.61Å; Q573-L628 HydrophobicContact CB-CD2 4.26Å; Q573-L628 WeakPolarHBondContact O-CD2 3.45Å; A600-L628 HydrophobicContact CB-CD2 3.81Å; I624-L628 HydrophobicContact CG2-CD1 3.89Å; I624-L628 HydrophobicContact CG2-CG 4.48Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 3.41Å; I624-L628 VanDerWaalsContact O-N 3.14Å; N625-L628 CarbonylContact O-C 3.52Å; N625-L628 PolarHBondContact O-N 2.87Å; V626-L628 PolarHBondContact O-N 2.89Å
629	G	94.9	Very high	96.3	Very high	15 Å²	15	22 Å²	22	16%	0.155	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	4.5	175.5	0	0	0	0	0	115.5	N625 V626 R681	N625-G629 PolarHBondContact O-N 2.8Å; V626-G629 PolarHBondContact O-N 3.25Å; G629-R681 PolarHBondContact O-NH1 3.05Å
630	G	96.6	Very high	95.9	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.031	13%	0.131	C	C	.	.			trans	-72.1	167	175.5	0	0	0	0	0	114	T501 N625	T501-G630 CarbonylContact O-C 3.58Å; T501-G630 VanDerWaalsContact O-CA 3.28Å; T501-G630 WeakPolarHBondContact O-CA 3.35Å; N625-G630 WeakPolarHBondContact O-CA 3.38Å; N625-G630 PolarHBondContact O-N 3.05Å
631	V	97.7	Very high	95.5	Very high	10 Å²	10	22.8 Å²	22.8	6%	0.061	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-119.4	117.3	178.9	179.9	0	0	0	0	108.5	H500 T501 I634 R681	H500-V631 HydrophobicContact CB-CB 4.35Å; H500-V631 HydrophobicContact CB-CG1 3.98Å; H500-V631 WeakPolarHBondContact CB-O 3.32Å; H500-V631 PolarHBondContact N-O 2.95Å; H500-V631 VanDerWaalsContact N-O 3.13Å; T501-V631 PolarHBondContact N-O 3.11Å; T501-V631 PolarHBondContact O-N 3.34Å; V631-I634 HydrophobicContact CG1-CG2 3.65Å; V631-R681 HydrophobicContact CG2-CG 4.2Å
632	N	97.4	Very high	95.2	Very high	2 Å²	2	32 Å²	32	1%	0.011	17%	0.167	C	C	.	.			trans	-72.8	-50.2	-175.6	-68.3	-8.5	0	0	0	111.9	Y477 F499 H500 L622 N625 V626 V848	Y477-N632 WeakPolarHBondContact CD1-O 3.11Å; F499-N632 VanDerWaalsContact CA-O 3.31Å; F499-N632 WeakPolarHBondContact CA-O 3.45Å; F499-N632 HydrophobicContact CD1-CB 3.82Å; F499-N632 HydrophobicContact CE1-CB 4.11Å; H500-N632 PolarHBondContact N-O 3.46Å; L622-N632 HydrophobicContact CD2-CB 4.16Å; L622-N632 VanDerWaalsContact CD2-ND2 3.34Å; L622-N632 WeakPolarHBondContact CD2-ND2 3.3Å; L622-N632 PolarHBondContact O-ND2 3.23Å; N625-N632 WeakPolarHBondContact CB-OD1 3.45Å; N625-N632 PolarHBondContact ND2-OD1 2.95Å; V626-N632 WeakPolarHBondContact CG2-ND2 3.45Å; N632-V848 PolarHBondContact ND2-O 3.48Å; N632-V848 VanDerWaalsContact ND2-O 3.11Å
633	S	97.2	Very high	94.9	Very high	19 Å²	19	32.4 Å²	32.4	13%	0.133	17%	0.169	C	C	.	.			trans	-160.7	158	179.7	56	0	0	0	0	109.3	L476	L476-S633 WeakPolarHBondContact O-CA 3.49Å
634	I	97.5	Very high	94.7	Very high	7 Å²	7	32 Å²	32	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	160.1	176.3	67.8	170.1	0	0	0	110.8	L475 L476 V631 P637 H678	L475-I634 CarbonylContact C-O 3.52Å; L475-I634 WeakPolarHBondContact CA-O 3.36Å; L476-I634 HydrophobicContact CB-CG1 3.88Å; L476-I634 HydrophobicContact CD2-CD1 4.19Å; L476-I634 HydrophobicContact CD2-CG1 4.36Å; L476-I634 PolarHBondContact N-O 3.18Å; L476-I634 PolarHBondContact O-N 2.79Å; V631-I634 HydrophobicContact CG1-CG2 3.65Å; I634-P637 HydrophobicContact CD1-CG 4.29Å; I634-H678 HydrophobicContact CB-CB 4.09Å; I634-H678 HydrophobicContact CG2-CB 3.77Å
635	L	96.6	Very high	94.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	135.9	165.5	-65.1	169.9	0	0	0	108.6	P473 L475 P637 R640 Q842 T846	P473-L635 HydrophobicContact CB-CD2 3.76Å; P473-L635 HydrophobicContact CG-CD2 3.8Å; L475-L635 HydrophobicContact CD2-CD2 4.03Å; L635-P637 VanDerWaalsContact O-CD 3.28Å; L635-P637 WeakPolarHBondContact O-CD 3.5Å; L635-P637 VanDerWaalsContact O-N 3.14Å; L635-R640 HydrophobicContact CB-CG 4.28Å; L635-Q842 HydrophobicContact CD1-CB 3.92Å; L635-Q842 HydrophobicContact CD2-CB 4.08Å; L635-T846 HydrophobicContact CD1-CG2 3.83Å; L635-T846 HydrophobicContact CD2-CG2 4.09Å; L635-T846 HydrophobicContact CG-CG2 3.72Å
636	L	96	Very high	94.4	Very high	32 Å²	32	42.6 Å²	42.6	17%	0.168	22%	0.221	C	C	.	.			trans	-57.6	120.2	176.6	-179.9	70.5	0	0	0	109	K474 L476 S638 I639	K474-L636 HydrophobicContact CB-CB 3.99Å; K474-L636 HydrophobicContact CB-CD2 3.9Å; K474-L636 HydrophobicContact CD-CD2 3.99Å; K474-L636 HydrophobicContact CG-CD2 4.49Å; K474-L636 WeakPolarHBondContact O-CB 3.42Å; K474-L636 PolarHBondContact O-N 2.88Å; L476-L636 HydrophobicContact CB-CD1 4.37Å; L636-S638 VanDerWaalsContact C-N 3.26Å; L636-S638 PolarHBondContact O-N 2.99Å; L636-S638 VanDerWaalsContact O-N 3.13Å; L636-I639 HydrophobicContact CB-CD1 4.16Å; L636-I639 HydrophobicContact CB-CG1 4Å; L636-I639 HydrophobicContact CD2-CG2 4.35Å; L636-I639 WeakPolarHBondContact O-CG1 3.36Å; L636-I639 PolarHBondContact O-N 2.75Å
637	P	93.5	Very high	94.4	Very high	60 Å²	60	44.2 Å²	44.2	39%	0.39	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59.5	-32.1	-167.6	-30.8	37.3	0	0	0	115.6	I634 L635 I639 R640	I634-P637 HydrophobicContact CD1-CG 4.29Å; L635-P637 VanDerWaalsContact O-CD 3.28Å; L635-P637 WeakPolarHBondContact O-CD 3.5Å; L635-P637 VanDerWaalsContact O-N 3.14Å; P637-I639 VanDerWaalsContact C-N 3.29Å; P637-I639 PolarHBondContact O-N 2.82Å; P637-R640 PolarHBondContact O-N 3.4Å; P637-R640 PolarHBondContact O-NE 2.88Å
638	S	91.5	Very high	94.4	Very high	102 Å²	102	44.2 Å²	44.2	71%	0.713	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-73.8	-11.7	-175.1	55.7	0	0	0	0	115.3	L636	L636-S638 VanDerWaalsContact C-N 3.26Å; L636-S638 PolarHBondContact O-N 2.99Å; L636-S638 VanDerWaalsContact O-N 3.13Å
639	I	89.5	Confident	94.5	Very high	64 Å²	64	42.7 Å²	42.7	33%	0.328	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-111.5	10.4	-179.2	62.5	163	0	0	0	112.5	P473 K474 L636 P637 Q842	P473-I639 HydrophobicContact CB-CD1 3.91Å; K474-I639 HydrophobicContact CB-CD1 4.1Å; K474-I639 HydrophobicContact CG-CD1 4.5Å; L636-I639 HydrophobicContact CB-CD1 4.16Å; L636-I639 HydrophobicContact CB-CG1 4Å; L636-I639 HydrophobicContact CD2-CG2 4.35Å; L636-I639 WeakPolarHBondContact O-CG1 3.36Å; L636-I639 PolarHBondContact O-N 2.75Å; P637-I639 VanDerWaalsContact C-N 3.29Å; P637-I639 PolarHBondContact O-N 2.82Å; I639-Q842 PolarHBondContact O-NE2 3.32Å
640	R	87.9	Confident	94.7	Very high	65 Å²	65	42 Å²	42	25%	0.245	22%	0.217	C	C	.	.	S	Bend	trans	-79.1	144.5	180	-66.8	-173.5	-60	171.6	5.7	110.2	L635 P637 F644 A677 H678	L635-R640 HydrophobicContact CB-CG 4.28Å; P637-R640 PolarHBondContact O-N 3.4Å; P637-R640 PolarHBondContact O-NE 2.88Å; R640-F644 HydrophobicContact CB-CB 4.34Å; R640-F644 HydrophobicContact CB-CD2 3.72Å; R640-F644 HydrophobicContact CB-CE2 4.18Å; R640-F644 HydrophobicContact CB-CG 4.07Å; R640-F644 HydrophobicContact CG-CD2 4.41Å; R640-F644 HydrophobicContact CG-CE2 4.49Å; R640-A677 PolarHBondContact NH1-O 3.48Å; R640-H678 PolarHBondContact NH1-O 3.46Å
641	P	89.2	Confident	94.8	Very high	19 Å²	19	42 Å²	42	12%	0.123	22%	0.216	C	C	.	.			trans	-57.9	157.2	175.2	-21.1	29.2	0	0	0	112.6	I643 F644 L839	P641-I643 HydrophobicContact CB-CG2 4.13Å; P641-I643 PolarHBondContact O-N 2.87Å; P641-F644 WeakPolarHBondContact O-CD2 3.4Å; P641-F644 PolarHBondContact O-N 3.11Å; P641-F644 VanDerWaalsContact O-N 3.09Å; P641-L839 HydrophobicContact CG-CB 4.25Å; P641-L839 HydrophobicContact CG-CD1 4.4Å
642	R	90.2	Very high	94.9	Very high	194 Å²	194	41.5 Å²	41.5	73%	0.732	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-57	-24	-179.2	-66.9	178.2	178.1	176.7	-0.1	113.8	F644 N645	R642-F644 PolarHBondContact O-N 2.9Å; R642-N645 VanDerWaalsContact O-CB 3.23Å; R642-N645 WeakPolarHBondContact O-CB 3.36Å; R642-N645 VanDerWaalsContact O-CG 3.28Å; R642-N645 PolarHBondContact O-N 3.01Å
643	I	92.5	Very high	94.9	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.051	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-54.9	-24.8	176.3	-155.1	179.9	0	0	0	113.4	P641 N645 I648 L722 L831 L839	P641-I643 HydrophobicContact CB-CG2 4.13Å; P641-I643 PolarHBondContact O-N 2.87Å; I643-N645 VanDerWaalsContact C-N 3.31Å; I643-I648 HydrophobicContact CD1-CD1 3.4Å; I643-I648 HydrophobicContact CG1-CD1 3.69Å; I643-I648 HydrophobicContact CG2-CD1 4.47Å; I643-L722 HydrophobicContact CD1-CD1 4.28Å; I643-L831 HydrophobicContact CD1-CD1 4.08Å; I643-L831 HydrophobicContact CD1-CD2 3.74Å; I643-L831 HydrophobicContact CG1-CD2 4.29Å; I643-L839 HydrophobicContact CD1-CD2 4.18Å; I643-L839 HydrophobicContact CG2-CD1 4.4Å; I643-L839 HydrophobicContact CG2-CD2 4.2Å
644	F	94.1	Very high	94.9	Very high	24 Å²	24	40.9 Å²	40.9	11%	0.105	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-79	-6.8	177	-76.3	-90.5	0	0	0	114.3	R640 P641 R642 E646 I648 F650 P679 L839	R640-F644 HydrophobicContact CB-CB 4.34Å; R640-F644 HydrophobicContact CB-CD2 3.72Å; R640-F644 HydrophobicContact CB-CE2 4.18Å; R640-F644 HydrophobicContact CB-CG 4.07Å; R640-F644 HydrophobicContact CG-CD2 4.41Å; R640-F644 HydrophobicContact CG-CE2 4.49Å; P641-F644 WeakPolarHBondContact O-CD2 3.4Å; P641-F644 PolarHBondContact O-N 3.11Å; P641-F644 VanDerWaalsContact O-N 3.09Å; R642-F644 PolarHBondContact O-N 2.9Å; F644-E646 PolarHBondContact O-N 2.97Å; F644-I648 HydrophobicContact CD1-CG2 4.34Å; F644-F650 HydrophobicContact CD1-CE2 4.38Å; F644-F650 HydrophobicContact CD1-CZ 4.49Å; F644-F650 AromaticContact CE1-CE2 3.54Å; F644-F650 HydrophobicContact CE1-CE2 3.54Å; F644-F650 AromaticContact CE1-CZ 3.72Å; F644-F650 HydrophobicContact CE1-CZ 3.72Å; F644-F650 HydrophobicContact CE2-CZ 4.03Å; F644-F650 AromaticContact CZ-CE2 3.71Å; F644-F650 HydrophobicContact CZ-CE2 3.71Å; F644-F650 AromaticContact CZ-CZ 3.45Å; F644-F650 HydrophobicContact CZ-CZ 3.45Å; F644-F650 VanDerWaalsContact CZ-CZ 3.45Å; F644-P679 HydrophobicContact CE1-CG 4.29Å; F644-P679 HydrophobicContact CZ-CG 4.41Å; F644-L839 HydrophobicContact CE2-CD1 3.58Å; F644-L839 HydrophobicContact CZ-CD1 4.05Å
645	N	93.5	Very high	94.7	Very high	135 Å²	135	41.2 Å²	41.2	72%	0.722	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-70.6	-19.5	-178.7	-70.4	-7.1	0	0	0	112.9	R642 I643	R642-N645 VanDerWaalsContact O-CB 3.23Å; R642-N645 WeakPolarHBondContact O-CB 3.36Å; R642-N645 VanDerWaalsContact O-CG 3.28Å; R642-N645 PolarHBondContact O-N 3.01Å; I643-N645 VanDerWaalsContact C-N 3.31Å
646	E	95	Very high	94.5	Very high	88 Å²	88	42 Å²	42	41%	0.411	22%	0.215	S	C	.	.	S	Bend	trans	-122.6	161.2	170.7	-49.4	174	170	0	0	109.8	F644 I648 T719 R720	F644-E646 PolarHBondContact O-N 2.97Å; E646-I648 PolarHBondContact O-N 3.23Å; E646-I648 VanDerWaalsContact O-N 3.16Å; E646-T719 VanDerWaalsContact CB-OG1 3.26Å; E646-T719 WeakPolarHBondContact CB-OG1 3.49Å; E646-T719 PolarHBondContact OE2-OG1 3.48Å; E646-R720 VanDerWaalsContact CD-NH1 3.33Å; E646-R720 IonicContact OE1-NH2 3.7Å; E646-R720 IonicContact OE2-CZ 3.08Å; E646-R720 IonicContact OE2-NH1 2.7Å; E646-R720 PolarHBondContact OE2-NH1 3.28Å; E646-R720 IonicContact OE2-NH2 2.83Å; E646-R720 PolarHBondContact OE2-NH2 3.24Å
647	P	97.7	Very high	94.2	Very high	37 Å²	37	41.8 Å²	41.8	24%	0.24	21%	0.213	C	C	.	.			trans	-57.7	120.5	-178.3	-25.8	36	0	0	0	112.5	F716 K717 P718 T719 R720	P647-F716 HydrophobicContact CB-CB 3.8Å; P647-F716 HydrophobicContact CB-CG 4.42Å; P647-F716 HydrophobicContact CG-CB 3.71Å; P647-F716 HydrophobicContact CG-CD1 3.72Å; P647-F716 HydrophobicContact CG-CG 3.85Å; P647-K717 WeakPolarHBondContact CB-O 3.17Å; P647-P718 CarbonylContact O-C 3.53Å; P647-P718 WeakPolarHBondContact O-CA 3.3Å; P647-T719 PolarHBondContact O-N 3.45Å; P647-T719 PolarHBondContact O-OG1 2.78Å; P647-R720 PolarHBondContact O-N 2.8Å
648	I	98.2	Very high	93.8	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.046	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.2	178.3	177.9	163.3	0	0	0	110.5	I643 F644 E646 F650 R720 L722	I643-I648 HydrophobicContact CD1-CD1 3.4Å; I643-I648 HydrophobicContact CG1-CD1 3.69Å; I643-I648 HydrophobicContact CG2-CD1 4.47Å; F644-I648 HydrophobicContact CD1-CG2 4.34Å; E646-I648 PolarHBondContact O-N 3.23Å; E646-I648 VanDerWaalsContact O-N 3.16Å; I648-F650 HydrophobicContact CD1-CE1 3.8Å; I648-F650 HydrophobicContact CD1-CE2 4.43Å; I648-F650 HydrophobicContact CD1-CZ 3.76Å; I648-F650 HydrophobicContact CG1-CE1 4.27Å; I648-F650 HydrophobicContact CG1-CE2 4.18Å; I648-F650 HydrophobicContact CG1-CZ 4.01Å; I648-F650 HydrophobicContact CG2-CE2 3.72Å; I648-F650 HydrophobicContact CG2-CZ 3.86Å; I648-R720 WeakPolarHBondContact CA-O 3.29Å; I648-R720 HydrophobicContact CB-CB 4.18Å; I648-R720 HydrophobicContact CD1-CB 4.02Å; I648-R720 HydrophobicContact CG1-CB 4Å; I648-L722 HydrophobicContact CD1-CB 4.2Å
649	I	98.7	Very high	93.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.5	169	-172.5	166.3	0	0	0	110.5	M651 M675 L707 F710 P718 R720 I721 L722	I649-M651 HydrophobicContact CD1-CE 3.61Å; I649-M651 HydrophobicContact CG1-CE 4.09Å; I649-M651 HydrophobicContact CG1-CG 4.24Å; I649-M651 HydrophobicContact CG2-CE 3.97Å; I649-M675 HydrophobicContact CD1-CE 4.29Å; I649-L707 HydrophobicContact CG2-CD2 4.21Å; I649-F710 HydrophobicContact CB-CD2 4.09Å; I649-F710 HydrophobicContact CB-CE2 4.14Å; I649-F710 HydrophobicContact CD1-CB 3.93Å; I649-F710 HydrophobicContact CD1-CD2 3.85Å; I649-F710 HydrophobicContact CD1-CG 4.11Å; I649-F710 HydrophobicContact CG1-CD2 4.02Å; I649-F710 HydrophobicContact CG1-CE2 4.43Å; I649-P718 HydrophobicContact CB-CB 4.3Å; I649-P718 HydrophobicContact CB-CG 3.99Å; I649-P718 HydrophobicContact CG2-CB 3.84Å; I649-P718 HydrophobicContact CG2-CG 3.82Å; I649-R720 PolarHBondContact N-O 2.96Å; I649-R720 VanDerWaalsContact N-O 3.11Å; I649-I721 HydrophobicContact CG2-CB 4.16Å; I649-I721 HydrophobicContact CG2-CG1 3.78Å; I649-I721 HydrophobicContact CG2-CG2 4.07Å; I649-L722 PolarHBondContact O-N 2.99Å
650	F	98.7	Very high	92.4	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.7	173.8	-61.4	-81.6	0	0	0	109.4	F644 I648 G673 S674 P679 Y682 L722 L839 L843	F644-F650 HydrophobicContact CD1-CE2 4.38Å; F644-F650 HydrophobicContact CD1-CZ 4.49Å; F644-F650 AromaticContact CE1-CE2 3.54Å; F644-F650 HydrophobicContact CE1-CE2 3.54Å; F644-F650 AromaticContact CE1-CZ 3.72Å; F644-F650 HydrophobicContact CE1-CZ 3.72Å; F644-F650 HydrophobicContact CE2-CZ 4.03Å; F644-F650 AromaticContact CZ-CE2 3.71Å; F644-F650 HydrophobicContact CZ-CE2 3.71Å; F644-F650 AromaticContact CZ-CZ 3.45Å; F644-F650 HydrophobicContact CZ-CZ 3.45Å; F644-F650 VanDerWaalsContact CZ-CZ 3.45Å; I648-F650 HydrophobicContact CD1-CE1 3.8Å; I648-F650 HydrophobicContact CD1-CE2 4.43Å; I648-F650 HydrophobicContact CD1-CZ 3.76Å; I648-F650 HydrophobicContact CG1-CE1 4.27Å; I648-F650 HydrophobicContact CG1-CE2 4.18Å; I648-F650 HydrophobicContact CG1-CZ 4.01Å; I648-F650 HydrophobicContact CG2-CE2 3.72Å; I648-F650 HydrophobicContact CG2-CZ 3.86Å; F650-G673 CarbonylContact O-C 3.59Å; F650-G673 WeakPolarHBondContact O-CA 3.46Å; F650-S674 PolarHBondContact N-OG 3.15Å; F650-S674 PolarHBondContact O-N 3.28Å; F650-P679 HydrophobicContact CD2-CB 3.59Å; F650-P679 HydrophobicContact CD2-CG 3.5Å; F650-P679 HydrophobicContact CE2-CB 4.01Å; F650-P679 HydrophobicContact CE2-CG 3.68Å; F650-P679 HydrophobicContact CG-CG 4.26Å; F650-Y682 HydrophobicContact CB-CE1 4.48Å; F650-Y682 WeakPolarHBondContact O-CE1 3.23Å; F650-L722 HydrophobicContact CD1-CB 4.25Å; F650-L722 HydrophobicContact CD1-CD2 4.02Å; F650-L722 HydrophobicContact CE1-CD2 4.41Å; F650-L839 HydrophobicContact CE1-CD1 3.85Å; F650-L839 HydrophobicContact CE1-CD2 4.12Å; F650-L839 HydrophobicContact CE1-CG 4.34Å; F650-L839 HydrophobicContact CZ-CD1 4.07Å; F650-L843 HydrophobicContact CD1-CD1 3.75Å; F650-L843 HydrophobicContact CD1-CD2 4.35Å; F650-L843 HydrophobicContact CE1-CD1 4.07Å; F650-L843 HydrophobicContact CG-CD1 4.48Å; F650-L843 HydrophobicContact CG-CD2 4.42Å
651	M	98.8	Very high	91.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149.2	179.4	-64.4	-172.8	178.5	0	0	111.8	I649 V672 V703 L706 L707 I721 L722 L723 Y724	I649-M651 HydrophobicContact CD1-CE 3.61Å; I649-M651 HydrophobicContact CG1-CE 4.09Å; I649-M651 HydrophobicContact CG1-CG 4.24Å; I649-M651 HydrophobicContact CG2-CE 3.97Å; M651-V672 CarbonylContact C-O 3.49Å; M651-V672 WeakPolarHBondContact CA-O 3.43Å; M651-V672 WeakPolarHBondContact CB-O 3.19Å; M651-V703 HydrophobicContact CE-CG1 4.16Å; M651-V703 HydrophobicContact SD-CG2 4.24Å; M651-L706 HydrophobicContact CE-CB 4.15Å; M651-L706 HydrophobicContact CE-CD1 4.43Å; M651-L707 HydrophobicContact CE-CD2 4.3Å; M651-L707 HydrophobicContact CE-CG 4.39Å; M651-I721 HydrophobicContact CE-CG2 4.25Å; M651-I721 HydrophobicContact CG-CG2 4.45Å; M651-I721 HydrophobicContact SD-CG2 3.98Å; M651-L722 PolarHBondContact N-O 2.78Å; M651-L723 HydrophobicContact CB-CB 4.43Å; M651-L723 HydrophobicContact CB-CD1 3.59Å; M651-Y724 PolarHBondContact O-N 2.82Å
652	G	98.7	Very high	91	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.2	170.4	0	0	0	0	0	109.6	V671 V672 Y724 A863	G652-V671 CarbonylContact O-C 3.5Å; G652-V671 VanDerWaalsContact O-CA 3.26Å; G652-V671 WeakPolarHBondContact O-CA 3.38Å; G652-V672 PolarHBondContact N-O 2.87Å; G652-V672 PolarHBondContact O-N 3.33Å; G652-Y724 WeakPolarHBondContact CA-O 3.38Å; G652-A863 WeakPolarHBondContact O-CB 3.5Å
653	A	98.4	Very high	90.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.4	178.7	0	0	0	0	0	111.3	A670 V671 I696 L723 Y724 D726	A653-A670 VanDerWaalsContact CA-O 3.31Å; A653-A670 WeakPolarHBondContact CA-O 3.35Å; A653-V671 HydrophobicContact CB-CG2 4.04Å; A653-I696 HydrophobicContact CB-CD1 3.81Å; A653-L723 HydrophobicContact CB-CD1 3.88Å; A653-Y724 PolarHBondContact N-O 2.99Å; A653-D726 PolarHBondContact O-N 3.15Å
654	D	96.6	Very high	90	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.9	177.6	-179.6	49.2	0	0	0	111	T656 A670 A863 H864	D654-T656 PolarHBondContact OD2-OG1 2.95Å; D654-A670 PolarHBondContact N-O 3.15Å; D654-A670 PolarHBondContact O-N 3.19Å; D654-A863 HydrophobicContact CB-CB 3.83Å; D654-H864 HydrophobicContact CB-CB 4.33Å; D654-H864 WeakPolarHBondContact OD2-CA 3.36Å; D654-H864 IonicContact OD2-CD2 2.67Å; D654-H864 PolarHBondContact OD2-CD2 2.97Å; D654-H864 IonicContact OD2-CG 3.89Å
655	I	94.1	Very high	89.6	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.072	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	170.9	-61.2	-176.1	0	0	0	109.9	I668 E694 I696 R725	I655-I668 WeakPolarHBondContact CA-O 3.28Å; I655-E694 VanDerWaalsContact CD1-C 3.43Å; I655-E694 WeakPolarHBondContact CD1-O 3.28Å; I655-I696 HydrophobicContact CD1-CG1 3.73Å; I655-I696 HydrophobicContact CG1-CD1 4.5Å; I655-I696 HydrophobicContact CG1-CG1 3.95Å; I655-R725 VanDerWaalsContact CD1-NH2 3.25Å
656	T	91.2	Very high	89.5	Confident	17 Å²	17	40 Å²	40	10%	0.104	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	106.2	173.1	-66.7	0	0	0	0	111	D654 I668 A867 F868 R871	D654-T656 PolarHBondContact OD2-OG1 2.95Å; T656-I668 PolarHBondContact N-O 3.44Å; T656-I668 PolarHBondContact O-N 2.86Å; T656-I668 VanDerWaalsContact O-N 3.13Å; T656-A867 WeakPolarHBondContact OG1-CB 3.44Å; T656-F868 HydrophobicContact CG2-CE1 4.43Å; T656-R871 PolarHBondContact O-NH2 2.99Å; T656-R871 VanDerWaalsContact O-NH2 3.08Å
657	H	90.2	Very high	89.4	Confident	28 Å²	28	35.8 Å²	35.8	13%	0.13	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-74	156.5	171.9	-59.8	-47.5	0	0	0	113	S667 Q693 E694	H657-S667 PolarHBondContact ND1-OG 3.04Å; H657-Q693 PolarHBondContact CE1-O 3.08Å; H657-E694 IonicContact CE1-OE2 2.98Å; H657-E694 IonicContact NE2-OE2 2.65Å; H657-E694 PolarHBondContact NE2-OE2 3.45Å
658	P	85	Confident	89.3	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-58.4	156.4	168.2	-23	32.9	0	0	0	113.6	D662 K665 P666 R692	P658-D662 HydrophobicContact CB-CB 3.89Å; P658-K665 HydrophobicContact CB-CB 4Å; P658-K665 HydrophobicContact CG-CB 3.78Å; P658-K665 WeakPolarHBondContact CG-O 3.35Å; P658-P666 WeakPolarHBondContact CG-O 3.37Å; P658-R692 PolarHBondContact O-NH2 3.15Å
659	P	79.2	Confident	89.2	Confident	84 Å²	84	33.6 Å²	33.6	55%	0.545	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-52.2	154.3	172.8	-24.7	34.6	0	0	0	113	G661 D662 R692	P659-G661 PolarHBondContact O-N 2.86Å; P659-D662 WeakPolarHBondContact O-CB 3.3Å; P659-D662 PolarHBondContact O-N 2.84Å; P659-R692 PolarHBondContact O-NH2 3.37Å
660	A	72.2	Confident	89.2	Confident	37 Å²	37	33.6 Å²	33.6	31%	0.306	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	133.6	176.2	0	0	0	0	0	111.1	L27 P28 I410	L27-A660 HydrophobicContact CD2-CB 4.47Å; P28-A660 HydrophobicContact CG-CB 4.47Å; I410-A660 HydrophobicContact CG2-CB 4.1Å
661	G	70.9	Confident	89.2	Confident	80 Å²	80	33.5 Å²	33.5	83%	0.825	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.3	-13.4	-178.4	0	0	0	0	0	115.1	P659	P659-G661 PolarHBondContact O-N 2.86Å
662	D	78.1	Confident	89.1	Confident	40 Å²	40	33.5 Å²	33.5	21%	0.214	20%	0.201	C	C	.	.			trans	-74.6	134.2	168.4	-166.1	-58.3	0	0	0	109.5	P658 P659 K664 K665 H691	P658-D662 HydrophobicContact CB-CB 3.89Å; P659-D662 WeakPolarHBondContact O-CB 3.3Å; P659-D662 PolarHBondContact O-N 2.84Å; D662-K664 PolarHBondContact OD1-N 2.87Å; D662-K665 PolarHBondContact OD1-N 3.43Å; D662-K665 WeakPolarHBondContact OD2-CD 3.22Å; D662-K665 WeakPolarHBondContact OD2-CE 3.48Å; D662-K665 VanDerWaalsContact OD2-CG 3.27Å; D662-K665 WeakPolarHBondContact OD2-CG 3.25Å; D662-H691 PolarHBondContact O-CE1 2.72Å; D662-H691 PolarHBondContact O-NE2 3.14Å; D662-H691 VanDerWaalsContact O-NE2 3.13Å
663	S	78.2	Confident	89.1	Confident	96 Å²	96	33.5 Å²	33.5	67%	0.671	20%	0.201	S	C	*	.	S	Bend	trans	-120.8	2.6	179.6	68	0	0	0	0	113.6
664	K	82.9	Confident	89.1	Confident	184 Å²	184	33.5 Å²	33.5	80%	0.8	20%	0.201	S	C	*	.	S	Bend	trans	-118.6	-38.8	-171.3	-66.8	-171	177.7	-172.2	0	112.8	D662	D662-K664 PolarHBondContact OD1-N 2.87Å
665	K	86	Confident	89.1	Confident	109 Å²	109	33.7 Å²	33.7	47%	0.474	20%	0.202	S	C	.	.	S	Bend	trans	-68.4	145.3	-173.1	-68.3	-174.9	-171	-169	0	111.1	P658 D662 H691	P658-K665 HydrophobicContact CB-CB 4Å; P658-K665 HydrophobicContact CG-CB 3.78Å; P658-K665 WeakPolarHBondContact CG-O 3.35Å; D662-K665 PolarHBondContact OD1-N 3.43Å; D662-K665 WeakPolarHBondContact OD2-CD 3.22Å; D662-K665 WeakPolarHBondContact OD2-CE 3.48Å; D662-K665 VanDerWaalsContact OD2-CG 3.27Å; D662-K665 WeakPolarHBondContact OD2-CG 3.25Å; K665-H691 PolarHBondContact O-ND1 2.81Å
666	P	91.4	Very high	89.2	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.032	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-73.9	158.8	178.3	30.3	-36	0	0	0	111.7	P658 I688 Q689 R871 L874 M896 M899	P658-P666 WeakPolarHBondContact CG-O 3.37Å; P666-I688 HydrophobicContact CB-CB 4.19Å; P666-I688 HydrophobicContact CG-CB 4.34Å; P666-I688 HydrophobicContact CG-CG2 4.29Å; P666-Q689 WeakPolarHBondContact CB-O 3.22Å; P666-R871 PolarHBondContact O-NH1 2.61Å; P666-R871 PolarHBondContact O-NH2 3.21Å; P666-L874 HydrophobicContact CG-CD1 4.29Å; P666-M896 HydrophobicContact CB-SD 4.18Å; P666-M899 HydrophobicContact CG-CE 4.19Å; P666-M899 HydrophobicContact CG-SD 3.75Å
667	S	92.9	Very high	89.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	150.9	160	-57.4	0	0	0	0	109	H657 Q689 Q690 R692	H657-S667 PolarHBondContact ND1-OG 3.04Å; S667-Q689 PolarHBondContact N-O 3.02Å; S667-Q689 VanDerWaalsContact N-O 3.12Å; S667-Q689 PolarHBondContact O-N 3.37Å; S667-Q690 PolarHBondContact OG-O 3.13Å; S667-R692 WeakPolarHBondContact OG-CA 3.43Å; S667-R692 PolarHBondContact OG-N 3.11Å
668	I	95.2	Very high	89.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.3	177.9	-58.9	172.6	0	0	0	107.6	I655 T656 V686 R687 A867 A870 R871 L874	I655-I668 WeakPolarHBondContact CA-O 3.28Å; T656-I668 PolarHBondContact N-O 3.44Å; T656-I668 PolarHBondContact O-N 2.86Å; T656-I668 VanDerWaalsContact O-N 3.13Å; I668-V686 HydrophobicContact CG2-CG2 3.58Å; I668-R687 WeakPolarHBondContact CA-O 3.34Å; I668-A867 HydrophobicContact CG2-CB 4.2Å; I668-A870 HydrophobicContact CD1-CB 4.19Å; I668-A870 HydrophobicContact CG2-CB 3.88Å; I668-R871 HydrophobicContact CD1-CB 3.84Å; I668-R871 VanDerWaalsContact CD1-CZ 3.48Å; I668-L874 HydrophobicContact CD1-CD1 3.83Å; I668-L874 HydrophobicContact CG1-CD1 4.27Å
669	S	96.5	Very high	89.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	137.3	171.7	46.8	0	0	0	0	110	V686 R687 Q689	S669-V686 WeakPolarHBondContact O-CA 3.48Å; S669-V686 WeakPolarHBondContact O-CG2 3.34Å; S669-R687 PolarHBondContact N-O 2.98Å; S669-R687 PolarHBondContact O-N 3.15Å; S669-R687 PolarHBondContact OG-O 3.14Å; S669-Q689 PolarHBondContact OG-OE1 3.08Å
670	A	97.5	Very high	90.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.6	178.1	0	0	0	0	0	109.9	A653 D654 T685 A863 V866 A867	A653-A670 VanDerWaalsContact CA-O 3.31Å; A653-A670 WeakPolarHBondContact CA-O 3.35Å; D654-A670 PolarHBondContact N-O 3.15Å; D654-A670 PolarHBondContact O-N 3.19Å; A670-T685 WeakPolarHBondContact CA-O 3.46Å; A670-A863 VanDerWaalsContact CB-O 3.26Å; A670-A863 WeakPolarHBondContact CB-O 3.25Å; A670-V866 HydrophobicContact CB-CB 3.82Å; A670-V866 HydrophobicContact CB-CG1 3.62Å; A670-A867 HydrophobicContact CB-CB 3.88Å
671	V	98.4	Very high	91.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.3	174.7	-172.3	0	0	0	0	108.8	G652 A653 T685 I696 L699 M702 L706	G652-V671 CarbonylContact O-C 3.5Å; G652-V671 VanDerWaalsContact O-CA 3.26Å; G652-V671 WeakPolarHBondContact O-CA 3.38Å; A653-V671 HydrophobicContact CB-CG2 4.04Å; V671-T685 PolarHBondContact N-O 3.16Å; V671-T685 PolarHBondContact O-N 3.15Å; V671-T685 PolarHBondContact O-OG1 3.31Å; V671-I696 HydrophobicContact CG2-CD1 4.15Å; V671-L699 HydrophobicContact CG2-CD1 3.73Å; V671-M702 HydrophobicContact CB-CB 4.48Å; V671-M702 HydrophobicContact CB-CE 3.89Å; V671-M702 HydrophobicContact CG2-CB 4.44Å; V671-M702 HydrophobicContact CG2-CE 3.58Å; V671-M702 HydrophobicContact CG2-SD 4.03Å; V671-L706 HydrophobicContact CB-CD1 4.27Å; V671-L706 HydrophobicContact CG1-CD1 3.68Å
672	V	98.3	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.5	175	-60.2	0	0	0	0	110.3	M651 G652 Y682 A683 A684 P859 A863 V866	M651-V672 CarbonylContact C-O 3.49Å; M651-V672 WeakPolarHBondContact CA-O 3.43Å; M651-V672 WeakPolarHBondContact CB-O 3.19Å; G652-V672 PolarHBondContact N-O 2.87Å; G652-V672 PolarHBondContact O-N 3.33Å; V672-Y682 HydrophobicContact CB-CD1 4.29Å; V672-Y682 HydrophobicContact CG2-CD1 4.05Å; V672-A683 CarbonylContact C-O 3.6Å; V672-A683 WeakPolarHBondContact CA-O 3.32Å; V672-A683 VanDerWaalsContact CB-O 3.3Å; V672-A683 WeakPolarHBondContact CB-O 3.34Å; V672-A684 HydrophobicContact CG1-CB 4.05Å; V672-P859 HydrophobicContact CG2-CB 4.22Å; V672-P859 WeakPolarHBondContact CG2-O 3.36Å; V672-A863 HydrophobicContact CG2-CB 4.38Å; V672-V866 HydrophobicContact CG1-CG2 3.88Å
673	G	98.2	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	139.1	174.8	0	0	0	0	0	111.1	F650 M675 Y682 A683	F650-G673 CarbonylContact O-C 3.59Å; F650-G673 WeakPolarHBondContact O-CA 3.46Å; G673-M675 WeakPolarHBondContact O-CE 3.33Å; G673-Y682 CarbonylContact O-C 3.49Å; G673-Y682 WeakPolarHBondContact O-CA 3.49Å; G673-A683 PolarHBondContact N-O 3.12Å; G673-A683 PolarHBondContact O-N 2.92Å
674	S	98.1	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	141	172.9	59	0	0	0	0	110.3	F650 R681 Y682 F710	F650-S674 PolarHBondContact N-OG 3.15Å; F650-S674 PolarHBondContact O-N 3.28Å; S674-R681 CarbonylContact C-O 3.59Å; S674-R681 WeakPolarHBondContact CA-O 3.46Å; S674-Y682 VanDerWaalsContact N-CD1 3.33Å; S674-F710 WeakPolarHBondContact O-CD2 3.35Å
675	M	97.1	Very high	95.5	Very high	13 Å²	13	18.3 Å²	18.3	6%	0.064	10%	0.096	C	C	.	.			trans	-115.5	8.2	-174.5	-63.4	-67.1	124.8	0	0	113.5	I649 G673 R681 A683 L706 Q709 F710 S713 T714	I649-M675 HydrophobicContact CD1-CE 4.29Å; G673-M675 WeakPolarHBondContact O-CE 3.33Å; M675-R681 HydrophobicContact CB-CB 4.38Å; M675-R681 PolarHBondContact N-O 3.47Å; M675-A683 HydrophobicContact CE-CB 3.79Å; M675-A683 HydrophobicContact CG-CB 3.75Å; M675-A683 HydrophobicContact SD-CB 3.8Å; M675-L706 HydrophobicContact CE-CB 4.49Å; M675-L706 HydrophobicContact CE-CD2 4.04Å; M675-Q709 HydrophobicContact CE-CB 4.5Å; M675-Q709 HydrophobicContact SD-CB 3.93Å; M675-Q709 HydrophobicContact SD-CG 3.7Å; M675-F710 HydrophobicContact CE-CB 4.44Å; M675-S713 WeakPolarHBondContact O-CB 3.47Å; M675-T714 WeakPolarHBondContact O-CG2 3.03Å
676	D	95.4	Very high	95.9	Very high	23 Å²	23	13.6 Å²	13.6	12%	0.123	8%	0.076	C	C	.	.	S	Bend	trans	-146.4	168	178.3	61.6	48.6	0	0	0	110.1	H678 P679 S680 R681	D676-H678 PolarHBondContact O-N 3.39Å; D676-H678 VanDerWaalsContact OD1-CB 3.25Å; D676-H678 WeakPolarHBondContact OD1-CB 3.46Å; D676-H678 IonicContact OD1-CD2 3.06Å; D676-H678 IonicContact OD1-CG 3.96Å; D676-H678 PolarHBondContact OD1-N 3.31Å; D676-H678 IonicContact OD2-CD2 3.25Å; D676-P679 WeakPolarHBondContact OD1-CA 3.48Å; D676-S680 PolarHBondContact OD1-N 2.84Å; D676-S680 PolarHBondContact OD2-N 3.34Å; D676-R681 WeakPolarHBondContact OD2-CB 3.28Å; D676-R681 WeakPolarHBondContact OD2-CG 3.49Å; D676-R681 PolarHBondContact OD2-N 3.28Å
677	A	95.2	Very high	96.1	Very high	70 Å²	70	16.2 Å²	16.2	58%	0.579	9%	0.085	S	C	*	.	S	Bend	trans	-76.8	-0.6	179.4	0	0	0	0	0	113.2	R640	R640-A677 PolarHBondContact NH1-O 3.48Å
678	H	93.2	Very high	96.2	Very high	54 Å²	54	17 Å²	17	25%	0.25	9%	0.089	C	C	.	.	S	Bend	trans	-72.3	-52.4	-168.5	-66.4	-56	0	0	0	114.9	I634 R640 D676	I634-H678 HydrophobicContact CB-CB 4.09Å; I634-H678 HydrophobicContact CG2-CB 3.77Å; R640-H678 PolarHBondContact NH1-O 3.46Å; D676-H678 PolarHBondContact O-N 3.39Å; D676-H678 VanDerWaalsContact OD1-CB 3.25Å; D676-H678 WeakPolarHBondContact OD1-CB 3.46Å; D676-H678 IonicContact OD1-CD2 3.06Å; D676-H678 IonicContact OD1-CG 3.96Å; D676-H678 PolarHBondContact OD1-N 3.31Å; D676-H678 IonicContact OD2-CD2 3.25Å
679	P	93.2	Very high	96	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.091	C	C	.	.	S	Bend	cis	-102.4	104.1	-0.1	35.4	-25.4	0	0	0	112.7	F644 F650 D676 L843	F644-P679 HydrophobicContact CE1-CG 4.29Å; F644-P679 HydrophobicContact CZ-CG 4.41Å; F650-P679 HydrophobicContact CD2-CB 3.59Å; F650-P679 HydrophobicContact CD2-CG 3.5Å; F650-P679 HydrophobicContact CE2-CB 4.01Å; F650-P679 HydrophobicContact CE2-CG 3.68Å; F650-P679 HydrophobicContact CG-CG 4.26Å; D676-P679 WeakPolarHBondContact OD1-CA 3.48Å; P679-L843 HydrophobicContact CG-CD2 3.64Å
680	S	94.9	Very high	95.8	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	12%	0.121	C	C	.	.			trans	-106.7	-45.6	-172.2	-173.3	0	0	0	0	114.2	D676 Y682	D676-S680 PolarHBondContact OD1-N 2.84Å; D676-S680 PolarHBondContact OD2-N 3.34Å; S680-Y682 WeakPolarHBondContact O-CD2 3.5Å
681	R	96.2	Very high	95.4	Very high	85 Å²	85	26.5 Å²	26.5	32%	0.321	13%	0.134	S	C	.	.			trans	-84.7	142.1	179.1	-66.3	-176	63.4	167.6	-2.5	110.3	G629 V631 S674 M675 D676 S911	G629-R681 PolarHBondContact O-NH1 3.05Å; V631-R681 HydrophobicContact CG2-CG 4.2Å; S674-R681 CarbonylContact C-O 3.59Å; S674-R681 WeakPolarHBondContact CA-O 3.46Å; M675-R681 HydrophobicContact CB-CB 4.38Å; M675-R681 PolarHBondContact N-O 3.47Å; D676-R681 WeakPolarHBondContact OD2-CB 3.28Å; D676-R681 WeakPolarHBondContact OD2-CG 3.49Å; D676-R681 PolarHBondContact OD2-N 3.28Å; R681-S911 PolarHBondContact NH2-O 3.26Å
682	Y	97.7	Very high	95	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.016	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.5	176.6	-73.8	-104.1	0	0	0	110.7	F650 V672 G673 S674 S680 P859 Y862 M913	F650-Y682 HydrophobicContact CB-CE1 4.48Å; F650-Y682 WeakPolarHBondContact O-CE1 3.23Å; V672-Y682 HydrophobicContact CB-CD1 4.29Å; V672-Y682 HydrophobicContact CG2-CD1 4.05Å; G673-Y682 CarbonylContact O-C 3.49Å; G673-Y682 WeakPolarHBondContact O-CA 3.49Å; S674-Y682 VanDerWaalsContact N-CD1 3.33Å; S680-Y682 WeakPolarHBondContact O-CD2 3.5Å; Y682-P859 HydrophobicContact CE1-CB 3.77Å; Y682-P859 HydrophobicContact CE1-CG 4.4Å; Y682-Y862 HydrophobicContact CD1-CD2 4.13Å; Y682-Y862 AromaticContact CD2-CD2 3.69Å; Y682-Y862 HydrophobicContact CD2-CD2 3.69Å; Y682-Y862 AromaticContact CD2-CE2 3.43Å; Y682-Y862 HydrophobicContact CD2-CE2 3.43Å; Y682-Y862 VanDerWaalsContact CD2-CE2 3.43Å; Y682-Y862 HydrophobicContact CE2-CD2 4.16Å; Y682-Y862 AromaticContact CE2-CE2 3.73Å; Y682-Y862 HydrophobicContact CE2-CE2 3.73Å; Y682-Y862 AromaticContact CG-CD2 3.7Å; Y682-Y862 HydrophobicContact CG-CD2 3.7Å; Y682-Y862 AromaticContact CG-CE2 3.96Å; Y682-Y862 HydrophobicContact CG-CE2 3.96Å; Y682-M913 HydrophobicContact CD2-CE 4.41Å; Y682-M913 PolarHBondContact N-SD 2.87Å; Y682-M913 WeakPolarHBondContact O-CG 3.32Å
683	A	96.4	Very high	94.7	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	162.7	164.1	0	0	0	0	0	110.2	V672 G673 M675 L706 Q709	V672-A683 CarbonylContact C-O 3.6Å; V672-A683 WeakPolarHBondContact CA-O 3.32Å; V672-A683 VanDerWaalsContact CB-O 3.3Å; V672-A683 WeakPolarHBondContact CB-O 3.34Å; G673-A683 PolarHBondContact N-O 3.12Å; G673-A683 PolarHBondContact O-N 2.92Å; M675-A683 HydrophobicContact CE-CB 3.79Å; M675-A683 HydrophobicContact CG-CB 3.75Å; M675-A683 HydrophobicContact SD-CB 3.8Å; A683-L706 HydrophobicContact CB-CD2 4.05Å; A683-Q709 HydrophobicContact CB-CG 4.42Å
684	A	96.9	Very high	94.4	Very high	7 Å²	7	34.1 Å²	34.1	6%	0.058	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.3	-175.6	0	0	0	0	0	111.5	V672 V866 Y914 F915	V672-A684 HydrophobicContact CG1-CB 4.05Å; A684-V866 HydrophobicContact CB-CB 4.46Å; A684-V866 HydrophobicContact CB-CG1 4.07Å; A684-V866 HydrophobicContact CB-CG2 3.52Å; A684-Y914 HydrophobicContact CB-CE1 4.19Å; A684-F915 HydrophobicContact CB-CD1 3.94Å; A684-F915 HydrophobicContact CB-CE1 3.71Å
685	T	96.3	Very high	94.3	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	144.9	167.5	58	0	0	0	0	107.8	A670 V671 M702 E705 L706	A670-T685 WeakPolarHBondContact CA-O 3.46Å; V671-T685 PolarHBondContact N-O 3.16Å; V671-T685 PolarHBondContact O-N 3.15Å; V671-T685 PolarHBondContact O-OG1 3.31Å; T685-M702 WeakPolarHBondContact O-CE 3.45Å; T685-M702 WeakPolarHBondContact OG1-CB 3.31Å; T685-M702 VanDerWaalsContact OG1-CE 3.29Å; T685-M702 WeakPolarHBondContact OG1-CE 3.39Å; T685-E705 HydrophobicContact CG2-CB 4.02Å; T685-E705 WeakPolarHBondContact CG2-OE2 3.43Å; T685-L706 HydrophobicContact CG2-CD2 4.02Å; T685-L706 HydrophobicContact CG2-CG 3.92Å
686	V	95.9	Very high	94.3	Very high	10 Å²	10	35.5 Å²	35.5	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141.1	-178	66.1	0	0	0	0	110.4	I668 S669 V866 A870 V903	I668-V686 HydrophobicContact CG2-CG2 3.58Å; S669-V686 WeakPolarHBondContact O-CA 3.48Å; S669-V686 WeakPolarHBondContact O-CG2 3.34Å; V686-V866 HydrophobicContact CB-CG1 3.96Å; V686-V866 HydrophobicContact CG2-CG1 4.28Å; V686-A870 HydrophobicContact CG2-CB 3.61Å; V686-V903 HydrophobicContact CG1-CB 4.18Å; V686-V903 HydrophobicContact CG1-CG2 4.3Å; V686-V903 WeakPolarHBondContact CG1-O 3.48Å
687	R	95.1	Very high	94.3	Very high	59 Å²	59	38.1 Å²	38.1	22%	0.223	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.5	178.2	-63.3	-67.2	-177.1	-85.7	-2.4	110	I668 S669 D698 M702 E705	I668-R687 WeakPolarHBondContact CA-O 3.34Å; S669-R687 PolarHBondContact N-O 2.98Å; S669-R687 PolarHBondContact O-N 3.15Å; S669-R687 PolarHBondContact OG-O 3.14Å; R687-D698 HydrophobicContact CG-CB 3.92Å; R687-M702 HydrophobicContact CB-SD 4.27Å; R687-M702 HydrophobicContact CG-CE 4.16Å; R687-M702 HydrophobicContact CG-CG 3.94Å; R687-M702 HydrophobicContact CG-SD 3.66Å; R687-E705 IonicContact CZ-OE1 2.7Å; R687-E705 IonicContact NH1-OE2 3.68Å; R687-E705 VanDerWaalsContact NH2-CD 3.32Å; R687-E705 IonicContact NH2-OE1 3.72Å; R687-E705 PolarHBondContact NH2-OE1 2.96Å; R687-E705 IonicContact NH2-OE2 3.93Å; R687-E705 PolarHBondContact NH2-OE2 3.35Å
688	I	93.8	Very high	94.3	Very high	16 Å²	16	38 Å²	38	8%	0.082	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.9	164.7	61.5	163.7	0	0	0	108.3	P666 L874 M896 M899 A900 V903	P666-I688 HydrophobicContact CB-CB 4.19Å; P666-I688 HydrophobicContact CG-CB 4.34Å; P666-I688 HydrophobicContact CG-CG2 4.29Å; I688-L874 HydrophobicContact CG2-CD1 4.26Å; I688-M896 HydrophobicContact CD1-CB 4.25Å; I688-M896 HydrophobicContact CD1-CE 4.36Å; I688-M896 WeakPolarHBondContact CD1-O 3.04Å; I688-M896 HydrophobicContact CD1-SD 3.67Å; I688-M899 HydrophobicContact CD1-CB 3.56Å; I688-A900 HydrophobicContact CD1-CB 3.9Å; I688-A900 HydrophobicContact CG1-CB 3.99Å; I688-V903 HydrophobicContact CG2-CG1 4.09Å; I688-V903 HydrophobicContact CG2-CG2 4.11Å
689	Q	92.6	Very high	94.5	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	176.4	176.7	65.6	-174.2	58.8	0	0	110.8	P666 S667 S669 Q693 I695	P666-Q689 WeakPolarHBondContact CB-O 3.22Å; S667-Q689 PolarHBondContact N-O 3.02Å; S667-Q689 VanDerWaalsContact N-O 3.12Å; S667-Q689 PolarHBondContact O-N 3.37Å; S669-Q689 PolarHBondContact OG-OE1 3.08Å; Q689-Q693 PolarHBondContact NE2-O 2.81Å; Q689-I695 PolarHBondContact NE2-O 3.11Å
690	Q	91.6	Very high	94.8	Very high	133 Å²	133	35.9 Å²	35.9	62%	0.621	17%	0.172	S	C	*	.	S	Bend	trans	-53.3	147.5	-174.7	-163	178.8	14.6	0	0	112.1	S667 R692 Q693	S667-Q690 PolarHBondContact OG-O 3.13Å; Q690-R692 PolarHBondContact O-N 2.99Å; Q690-R692 VanDerWaalsContact O-N 3.15Å; Q690-Q693 HydrophobicContact CB-CB 4.14Å; Q690-Q693 VanDerWaalsContact CB-OE1 3.28Å; Q690-Q693 WeakPolarHBondContact O-CB 3.39Å; Q690-Q693 PolarHBondContact O-N 3.16Å; Q690-Q693 VanDerWaalsContact O-N 3.14Å
691	H	89.9	Confident	94.9	Very high	59 Å²	59	38.4 Å²	38.4	27%	0.273	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	121.6	179.7	-174.5	78.3	0	0	0	111.3	D662 K665 Q693	D662-H691 PolarHBondContact O-CE1 2.72Å; D662-H691 PolarHBondContact O-NE2 3.14Å; D662-H691 VanDerWaalsContact O-NE2 3.13Å; K665-H691 PolarHBondContact O-ND1 2.81Å; H691-Q693 PolarHBondContact O-N 3.47Å
692	R	89.2	Confident	95	Very high	77 Å²	77	34.3 Å²	34.3	29%	0.291	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.5	179.3	-64.9	178.1	179.4	-70.9	-12.6	116.4	P658 P659 S667 Q690	P658-R692 PolarHBondContact O-NH2 3.15Å; P659-R692 PolarHBondContact O-NH2 3.37Å; S667-R692 WeakPolarHBondContact OG-CA 3.43Å; S667-R692 PolarHBondContact OG-N 3.11Å; Q690-R692 PolarHBondContact O-N 2.99Å; Q690-R692 VanDerWaalsContact O-N 3.15Å
693	Q	91.4	Very high	95	Very high	55 Å²	55	34.2 Å²	34.2	26%	0.257	17%	0.171	S	C	.	.			trans	-76.2	127.1	169.2	-173.8	175.2	9.8	0	0	110.9	H657 Q689 Q690 H691 T697	H657-Q693 PolarHBondContact CE1-O 3.08Å; Q689-Q693 PolarHBondContact NE2-O 2.81Å; Q690-Q693 HydrophobicContact CB-CB 4.14Å; Q690-Q693 VanDerWaalsContact CB-OE1 3.28Å; Q690-Q693 WeakPolarHBondContact O-CB 3.39Å; Q690-Q693 PolarHBondContact O-N 3.16Å; Q690-Q693 VanDerWaalsContact O-N 3.14Å; H691-Q693 PolarHBondContact O-N 3.47Å; Q693-T697 PolarHBondContact NE2-OG1 3.17Å; Q693-T697 PolarHBondContact OE1-OG1 2.84Å
694	E	92.7	Very high	95.1	Very high	28 Å²	28	37.1 Å²	37.1	13%	0.131	18%	0.184	C	C	.	.			trans	-93.7	-18.4	-177.7	-172.5	61.8	-128.1	0	0	113.7	I655 H657 R725	I655-E694 VanDerWaalsContact CD1-C 3.43Å; I655-E694 WeakPolarHBondContact CD1-O 3.28Å; H657-E694 IonicContact CE1-OE2 2.98Å; H657-E694 IonicContact NE2-OE2 2.65Å; H657-E694 PolarHBondContact NE2-OE2 3.45Å; E694-R725 PolarHBondContact O-NH2 2.88Å; E694-R725 IonicContact OE1-CZ 3.26Å; E694-R725 IonicContact OE1-NH1 3.09Å; E694-R725 IonicContact OE1-NH2 3.37Å; E694-R725 PolarHBondContact OE1-NH2 3.22Å
695	I	95.8	Very high	95.1	Very high	38 Å²	38	40.8 Å²	40.8	20%	0.195	20%	0.2	C	C	.	.	S	Bend	trans	-82.8	134.1	174.5	-66.2	162.7	0	0	0	108.3	Q689 T697 V736 H739 E740	Q689-I695 PolarHBondContact NE2-O 3.11Å; I695-T697 PolarHBondContact O-N 3.35Å; I695-V736 HydrophobicContact CG1-CG2 4.14Å; I695-H739 HydrophobicContact CG2-CB 3.76Å; I695-E740 HydrophobicContact CG2-CG 4.5Å
696	I	97.1	Very high	95.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	20%	0.198	C	C	.	.			trans	-75.5	101.9	173.8	-57.4	174.4	0	0	0	109.3	A653 I655 V671 D698 L699 M702 E740	A653-I696 HydrophobicContact CB-CD1 3.81Å; I655-I696 HydrophobicContact CD1-CG1 3.73Å; I655-I696 HydrophobicContact CG1-CD1 4.5Å; I655-I696 HydrophobicContact CG1-CG1 3.95Å; V671-I696 HydrophobicContact CG2-CD1 4.15Å; I696-D698 PolarHBondContact O-N 2.87Å; I696-L699 HydrophobicContact CB-CB 4.09Å; I696-L699 HydrophobicContact CD1-CD1 4.38Å; I696-L699 HydrophobicContact CG2-CB 3.79Å; I696-L699 HydrophobicContact CG2-CD1 4.18Å; I696-L699 WeakPolarHBondContact O-CB 3.4Å; I696-L699 PolarHBondContact O-N 2.93Å; I696-M702 HydrophobicContact CG2-SD 3.9Å; I696-E740 WeakPolarHBondContact CG1-OE1 3.22Å; I696-E740 PolarHBondContact N-OE1 3.34Å; I696-E740 VanDerWaalsContact N-OE1 3.12Å
697	T	95.1	Very high	95.3	Very high	78 Å²	78	40.3 Å²	40.3	48%	0.479	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-46.7	-175.4	-50.5	0	0	0	0	112.7	Q693 I695 L699	Q693-T697 PolarHBondContact NE2-OG1 3.17Å; Q693-T697 PolarHBondContact OE1-OG1 2.84Å; I695-T697 PolarHBondContact O-N 3.35Å; T697-L699 VanDerWaalsContact C-N 3.31Å; T697-L699 PolarHBondContact O-N 3.4Å
698	D	95.7	Very high	95.4	Very high	67 Å²	67	40.3 Å²	40.3	36%	0.358	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	19.9	-172.6	-72.1	-15.2	0	0	0	113.5	R687 I696 A700 T701 M702	R687-D698 HydrophobicContact CG-CB 3.92Å; I696-D698 PolarHBondContact O-N 2.87Å; D698-A700 VanDerWaalsContact C-N 3.26Å; D698-A700 PolarHBondContact O-N 2.94Å; D698-A700 VanDerWaalsContact O-N 3.17Å; D698-T701 PolarHBondContact O-N 2.97Å; D698-T701 VanDerWaalsContact O-N 3.11Å; D698-T701 PolarHBondContact O-OG1 2.92Å; D698-M702 WeakPolarHBondContact O-CG 3.46Å; D698-M702 PolarHBondContact O-N 3.41Å; D698-M702 VanDerWaalsContact O-N 3.16Å
699	L	98	Very high	95.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-37.9	-170.3	-175.5	62.2	0	0	0	112.8	V671 I696 T697 T701 M702 V703 E740 A743 M744	V671-L699 HydrophobicContact CG2-CD1 3.73Å; I696-L699 HydrophobicContact CB-CB 4.09Å; I696-L699 HydrophobicContact CD1-CD1 4.38Å; I696-L699 HydrophobicContact CG2-CB 3.79Å; I696-L699 HydrophobicContact CG2-CD1 4.18Å; I696-L699 WeakPolarHBondContact O-CB 3.4Å; I696-L699 PolarHBondContact O-N 2.93Å; T697-L699 VanDerWaalsContact C-N 3.31Å; T697-L699 PolarHBondContact O-N 3.4Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-T701 PolarHBondContact O-N 2.94Å; L699-M702 PolarHBondContact O-N 2.89Å; L699-V703 HydrophobicContact CD1-CG2 3.78Å; L699-V703 HydrophobicContact CG-CG2 3.98Å; L699-V703 WeakPolarHBondContact O-CB 3.46Å; L699-V703 VanDerWaalsContact O-CG2 3.26Å; L699-V703 WeakPolarHBondContact O-CG2 3.48Å; L699-V703 PolarHBondContact O-N 3.46Å; L699-E740 HydrophobicContact CD2-CB 3.44Å; L699-E740 VanDerWaalsContact CD2-CB 3.44Å; L699-E740 HydrophobicContact CD2-CG 3.71Å; L699-E740 WeakPolarHBondContact CD2-O 3.44Å; L699-A743 HydrophobicContact CB-CB 3.97Å; L699-A743 HydrophobicContact CD2-CB 4.34Å; L699-A743 HydrophobicContact CG-CB 4.35Å; L699-M744 HydrophobicContact CD2-CG 4.07Å
700	A	98.2	Very high	95.7	Very high	11 Å²	11	41.5 Å²	41.5	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-58.5	-45.7	179.9	0	0	0	0	0	111.6	D698 K704 A743 A747	D698-A700 VanDerWaalsContact C-N 3.26Å; D698-A700 PolarHBondContact O-N 2.94Å; D698-A700 VanDerWaalsContact O-N 3.17Å; A700-K704 VanDerWaalsContact O-CB 3.3Å; A700-K704 WeakPolarHBondContact O-CB 3.46Å; A700-K704 PolarHBondContact O-N 2.81Å; A700-A743 WeakPolarHBondContact CA-O 3.49Å; A700-A743 HydrophobicContact CB-CB 4.08Å; A700-A743 WeakPolarHBondContact CB-O 3.49Å; A700-A747 WeakPolarHBondContact O-CB 3.27Å
701	T	97.7	Very high	96	Very high	57 Å²	57	40.1 Å²	40.1	35%	0.35	20%	0.195	S	C	.	.	H	α-helix	trans	-68.4	-41.3	178.8	67.6	0	0	0	0	112	D698 L699 K704 E705	D698-T701 PolarHBondContact O-N 2.97Å; D698-T701 VanDerWaalsContact O-N 3.11Å; D698-T701 PolarHBondContact O-OG1 2.92Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-T701 PolarHBondContact O-N 2.94Å; T701-K704 WeakPolarHBondContact O-CB 3.42Å; T701-K704 PolarHBondContact O-N 3.5Å; T701-E705 WeakPolarHBondContact O-CG 3.13Å; T701-E705 PolarHBondContact O-N 3.49Å
702	M	97.8	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-45.1	178.2	-65.7	175	83.7	0	0	111.6	V671 T685 R687 I696 D698 L699 E705 L706	V671-M702 HydrophobicContact CB-CB 4.48Å; V671-M702 HydrophobicContact CB-CE 3.89Å; V671-M702 HydrophobicContact CG2-CB 4.44Å; V671-M702 HydrophobicContact CG2-CE 3.58Å; V671-M702 HydrophobicContact CG2-SD 4.03Å; T685-M702 WeakPolarHBondContact O-CE 3.45Å; T685-M702 WeakPolarHBondContact OG1-CB 3.31Å; T685-M702 VanDerWaalsContact OG1-CE 3.29Å; T685-M702 WeakPolarHBondContact OG1-CE 3.39Å; R687-M702 HydrophobicContact CB-SD 4.27Å; R687-M702 HydrophobicContact CG-CE 4.16Å; R687-M702 HydrophobicContact CG-CG 3.94Å; R687-M702 HydrophobicContact CG-SD 3.66Å; I696-M702 HydrophobicContact CG2-SD 3.9Å; D698-M702 WeakPolarHBondContact O-CG 3.46Å; D698-M702 PolarHBondContact O-N 3.41Å; D698-M702 VanDerWaalsContact O-N 3.16Å; L699-M702 PolarHBondContact O-N 2.89Å; M702-E705 PolarHBondContact O-N 3.4Å; M702-L706 WeakPolarHBondContact O-CG 3.46Å; M702-L706 PolarHBondContact O-N 3Å; M702-L706 VanDerWaalsContact O-N 3.14Å
703	V	98.6	Very high	96.6	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-43.3	176.7	170.4	0	0	0	0	110.6	M651 L699 E705 L706 L707 M744 A747	M651-V703 HydrophobicContact CE-CG1 4.16Å; M651-V703 HydrophobicContact SD-CG2 4.24Å; L699-V703 HydrophobicContact CD1-CG2 3.78Å; L699-V703 HydrophobicContact CG-CG2 3.98Å; L699-V703 WeakPolarHBondContact O-CB 3.46Å; L699-V703 VanDerWaalsContact O-CG2 3.26Å; L699-V703 WeakPolarHBondContact O-CG2 3.48Å; L699-V703 PolarHBondContact O-N 3.46Å; V703-E705 VanDerWaalsContact C-N 3.35Å; V703-E705 PolarHBondContact O-N 3.23Å; V703-L706 PolarHBondContact O-N 3.03Å; V703-L707 HydrophobicContact CG1-CD1 3.84Å; V703-L707 HydrophobicContact CG1-CG 4.26Å; V703-L707 VanDerWaalsContact O-CG 3.3Å; V703-L707 WeakPolarHBondContact O-CG 3.2Å; V703-L707 PolarHBondContact O-N 3.42Å; V703-M744 HydrophobicContact CG2-CG 4.14Å; V703-A747 HydrophobicContact CB-CB 3.8Å; V703-A747 HydrophobicContact CG1-CB 3.61Å
704	K	98.3	Very high	96.8	Very high	63 Å²	63	44.3 Å²	44.3	27%	0.274	22%	0.221	S	C	.	.	H	α-helix	trans	-56.8	-46.9	176	179.9	179.1	176.4	174	0	111.7	A700 T701 L706 L707 I708 A747 M750 L751	A700-K704 VanDerWaalsContact O-CB 3.3Å; A700-K704 WeakPolarHBondContact O-CB 3.46Å; A700-K704 PolarHBondContact O-N 2.81Å; T701-K704 WeakPolarHBondContact O-CB 3.42Å; T701-K704 PolarHBondContact O-N 3.5Å; K704-L706 PolarHBondContact O-N 2.97Å; K704-L707 PolarHBondContact O-N 3.25Å; K704-I708 HydrophobicContact CG-CD1 4.08Å; K704-I708 WeakPolarHBondContact O-CG1 3.12Å; K704-I708 PolarHBondContact O-N 3.07Å; K704-A747 HydrophobicContact CB-CB 4.27Å; K704-M750 HydrophobicContact CD-CB 4.34Å; K704-M750 HydrophobicContact CD-CE 4.35Å; K704-L751 HydrophobicContact CD-CD2 4.47Å; K704-L751 HydrophobicContact CG-CD1 4.43Å; K704-L751 HydrophobicContact CG-CD2 3.8Å; K704-L751 HydrophobicContact CG-CG 4.03Å
705	E	96.8	Very high	97	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-47.2	177	-75.9	171.7	-160.7	0	0	111.9	T685 R687 T701 M702 V703 L707 I708 Q709	T685-E705 HydrophobicContact CG2-CB 4.02Å; T685-E705 WeakPolarHBondContact CG2-OE2 3.43Å; R687-E705 IonicContact CZ-OE1 2.7Å; R687-E705 IonicContact NH1-OE2 3.68Å; R687-E705 VanDerWaalsContact NH2-CD 3.32Å; R687-E705 IonicContact NH2-OE1 3.72Å; R687-E705 PolarHBondContact NH2-OE1 2.96Å; R687-E705 IonicContact NH2-OE2 3.93Å; R687-E705 PolarHBondContact NH2-OE2 3.35Å; T701-E705 WeakPolarHBondContact O-CG 3.13Å; T701-E705 PolarHBondContact O-N 3.49Å; M702-E705 PolarHBondContact O-N 3.4Å; V703-E705 VanDerWaalsContact C-N 3.35Å; V703-E705 PolarHBondContact O-N 3.23Å; E705-L707 PolarHBondContact O-N 2.81Å; E705-I708 PolarHBondContact O-N 3.26Å; E705-Q709 WeakPolarHBondContact O-CB 3.12Å; E705-Q709 PolarHBondContact O-N 2.85Å
706	L	97.8	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.9	-39	179.1	-68.9	173.3	0	0	0	112.6	M651 V671 M675 A683 T685 M702 V703 K704 Q709 F710	M651-L706 HydrophobicContact CE-CB 4.15Å; M651-L706 HydrophobicContact CE-CD1 4.43Å; V671-L706 HydrophobicContact CB-CD1 4.27Å; V671-L706 HydrophobicContact CG1-CD1 3.68Å; M675-L706 HydrophobicContact CE-CB 4.49Å; M675-L706 HydrophobicContact CE-CD2 4.04Å; A683-L706 HydrophobicContact CB-CD2 4.05Å; T685-L706 HydrophobicContact CG2-CD2 4.02Å; T685-L706 HydrophobicContact CG2-CG 3.92Å; M702-L706 WeakPolarHBondContact O-CG 3.46Å; M702-L706 PolarHBondContact O-N 3Å; M702-L706 VanDerWaalsContact O-N 3.14Å; V703-L706 PolarHBondContact O-N 3.03Å; K704-L706 PolarHBondContact O-N 2.97Å; L706-Q709 PolarHBondContact O-N 3.26Å; L706-F710 WeakPolarHBondContact O-CB 3.3Å; L706-F710 PolarHBondContact O-N 3.47Å
707	L	98.4	Very high	97.2	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-65.6	-41.8	176.7	-72	172.7	0	0	0	111.9	I649 M651 V703 K704 E705 Q709 F710 Y711 P718 I721 L751 Y755	I649-L707 HydrophobicContact CG2-CD2 4.21Å; M651-L707 HydrophobicContact CE-CD2 4.3Å; M651-L707 HydrophobicContact CE-CG 4.39Å; V703-L707 HydrophobicContact CG1-CD1 3.84Å; V703-L707 HydrophobicContact CG1-CG 4.26Å; V703-L707 VanDerWaalsContact O-CG 3.3Å; V703-L707 WeakPolarHBondContact O-CG 3.2Å; V703-L707 PolarHBondContact O-N 3.42Å; K704-L707 PolarHBondContact O-N 3.25Å; E705-L707 PolarHBondContact O-N 2.81Å; L707-Q709 VanDerWaalsContact C-N 3.33Å; L707-Q709 PolarHBondContact O-N 3.09Å; L707-F710 PolarHBondContact O-N 2.92Å; L707-Y711 PolarHBondContact O-N 3.37Å; L707-P718 HydrophobicContact CD2-CG 3.88Å; L707-I721 HydrophobicContact CD1-CD1 4.47Å; L707-I721 HydrophobicContact CD2-CD1 4.18Å; L707-L751 HydrophobicContact CB-CD1 3.61Å; L707-L751 HydrophobicContact CD1-CD1 3.63Å; L707-L751 HydrophobicContact CG-CD1 4.28Å; L707-Y755 HydrophobicContact CD1-CE1 4.31Å
708	I	97.4	Very high	97.3	Very high	59 Å²	59	56.2 Å²	56.2	30%	0.303	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-45.2	173.9	-68.6	167.1	0	0	0	110.2	K704 E705 Y711 R712 L751	K704-I708 HydrophobicContact CG-CD1 4.08Å; K704-I708 WeakPolarHBondContact O-CG1 3.12Å; K704-I708 PolarHBondContact O-N 3.07Å; E705-I708 PolarHBondContact O-N 3.26Å; I708-Y711 PolarHBondContact O-N 2.89Å; I708-R712 WeakPolarHBondContact O-CG 3.49Å; I708-R712 PolarHBondContact O-N 3.37Å; I708-L751 HydrophobicContact CD1-CD2 3.8Å; I708-L751 HydrophobicContact CG1-CD2 3.54Å
709	Q	95.8	Very high	97.4	Very high	43 Å²	43	55.9 Å²	55.9	20%	0.201	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-40.2	-179.4	-165.3	170.4	1.1	0	0	111.9	M675 A683 E705 L706 L707 Y711 R712 S713 N910	M675-Q709 HydrophobicContact CE-CB 4.5Å; M675-Q709 HydrophobicContact SD-CB 3.93Å; M675-Q709 HydrophobicContact SD-CG 3.7Å; A683-Q709 HydrophobicContact CB-CG 4.42Å; E705-Q709 WeakPolarHBondContact O-CB 3.12Å; E705-Q709 PolarHBondContact O-N 2.85Å; L706-Q709 PolarHBondContact O-N 3.26Å; L707-Q709 VanDerWaalsContact C-N 3.33Å; L707-Q709 PolarHBondContact O-N 3.09Å; Q709-Y711 VanDerWaalsContact C-N 3.35Å; Q709-Y711 PolarHBondContact O-N 3.46Å; Q709-R712 WeakPolarHBondContact O-CB 3.37Å; Q709-R712 PolarHBondContact O-N 2.83Å; Q709-S713 PolarHBondContact O-N 2.95Å; Q709-S713 PolarHBondContact O-OG 3.04Å; Q709-N910 PolarHBondContact NE2-O 2.71Å
710	F	97.2	Very high	97.5	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-47.7	173.3	-176.6	-86.8	0	0	0	111.8	I649 S674 M675 L706 L707 R712 S713 T714 F716 P718	I649-F710 HydrophobicContact CB-CD2 4.09Å; I649-F710 HydrophobicContact CB-CE2 4.14Å; I649-F710 HydrophobicContact CD1-CB 3.93Å; I649-F710 HydrophobicContact CD1-CD2 3.85Å; I649-F710 HydrophobicContact CD1-CG 4.11Å; I649-F710 HydrophobicContact CG1-CD2 4.02Å; I649-F710 HydrophobicContact CG1-CE2 4.43Å; S674-F710 WeakPolarHBondContact O-CD2 3.35Å; M675-F710 HydrophobicContact CE-CB 4.44Å; L706-F710 WeakPolarHBondContact O-CB 3.3Å; L706-F710 PolarHBondContact O-N 3.47Å; L707-F710 PolarHBondContact O-N 2.92Å; F710-R712 VanDerWaalsContact C-N 3.32Å; F710-R712 PolarHBondContact O-N 3.42Å; F710-S713 PolarHBondContact O-N 2.82Å; F710-T714 HydrophobicContact CD1-CG2 4.36Å; F710-T714 WeakPolarHBondContact CD1-OG1 3.44Å; F710-T714 HydrophobicContact CD2-CG2 4.27Å; F710-T714 HydrophobicContact CE1-CG2 4.08Å; F710-T714 WeakPolarHBondContact CE1-OG1 3.36Å; F710-T714 HydrophobicContact CE2-CG2 4Å; F710-T714 HydrophobicContact CG-CG2 4.47Å; F710-T714 HydrophobicContact CZ-CG2 3.91Å; F710-T714 WeakPolarHBondContact O-CB 3.46Å; F710-T714 PolarHBondContact O-N 2.86Å; F710-T714 PolarHBondContact O-OG1 3.11Å; F710-F716 VanDerWaalsContact CD1-O 3.26Å; F710-F716 WeakPolarHBondContact CD1-O 3.41Å; F710-F716 HydrophobicContact CE1-CB 4.35Å; F710-F716 WeakPolarHBondContact CE1-O 3.22Å; F710-P718 HydrophobicContact CD1-CG 3.5Å; F710-P718 HydrophobicContact CE1-CG 3.61Å; F710-P718 HydrophobicContact CG-CG 4.05Å; F710-P718 HydrophobicContact CZ-CG 4.23Å
711	Y	97.7	Very high	97.5	Very high	105 Å²	105	57.7 Å²	57.7	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-38.9	178	-177.5	-104.8	0	0	0	111.8	L707 I708 Q709 S713 R715 K717	L707-Y711 PolarHBondContact O-N 3.37Å; I708-Y711 PolarHBondContact O-N 2.89Å; Q709-Y711 VanDerWaalsContact C-N 3.35Å; Q709-Y711 PolarHBondContact O-N 3.46Å; Y711-S713 VanDerWaalsContact C-N 3.34Å; Y711-S713 PolarHBondContact O-N 3.37Å; Y711-R715 WeakPolarHBondContact O-CA 3.41Å; Y711-R715 PolarHBondContact O-N 2.88Å; Y711-K717 HydrophobicContact CD2-CG 3.92Å; Y711-K717 HydrophobicContact CE2-CG 4.09Å
712	R	96	Very high	97.5	Very high	175 Å²	175	55 Å²	55	66%	0.66	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-40.1	174.6	-73	174.7	179.3	175.1	0.4	112.3	I708 Q709 F710	I708-R712 WeakPolarHBondContact O-CG 3.49Å; I708-R712 PolarHBondContact O-N 3.37Å; Q709-R712 WeakPolarHBondContact O-CB 3.37Å; Q709-R712 PolarHBondContact O-N 2.83Å; F710-R712 VanDerWaalsContact C-N 3.32Å; F710-R712 PolarHBondContact O-N 3.42Å
713	S	94.7	Very high	97.6	Very high	74 Å²	74	55 Å²	55	52%	0.517	25%	0.248	S	C	.	.	H	α-helix	trans	-78.9	-34.6	-177.8	-66.3	0	0	0	0	113.9	M675 Q709 F710 Y711	M675-S713 WeakPolarHBondContact O-CB 3.47Å; Q709-S713 PolarHBondContact O-N 2.95Å; Q709-S713 PolarHBondContact O-OG 3.04Å; F710-S713 PolarHBondContact O-N 2.82Å; Y711-S713 VanDerWaalsContact C-N 3.34Å; Y711-S713 PolarHBondContact O-N 3.37Å
714	T	96.4	Very high	97.6	Very high	29 Å²	29	55 Å²	55	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-112.1	-19.8	-171.4	67.4	0	0	0	0	114.2	M675 F710 F716	M675-T714 WeakPolarHBondContact O-CG2 3.03Å; F710-T714 HydrophobicContact CD1-CG2 4.36Å; F710-T714 WeakPolarHBondContact CD1-OG1 3.44Å; F710-T714 HydrophobicContact CD2-CG2 4.27Å; F710-T714 HydrophobicContact CE1-CG2 4.08Å; F710-T714 WeakPolarHBondContact CE1-OG1 3.36Å; F710-T714 HydrophobicContact CE2-CG2 4Å; F710-T714 HydrophobicContact CG-CG2 4.47Å; F710-T714 HydrophobicContact CZ-CG2 3.91Å; F710-T714 WeakPolarHBondContact O-CB 3.46Å; F710-T714 PolarHBondContact O-N 2.86Å; F710-T714 PolarHBondContact O-OG1 3.11Å; T714-F716 WeakPolarHBondContact O-CD2 3.31Å; T714-F716 PolarHBondContact O-N 3.12Å; T714-F716 PolarHBondContact OG1-N 3.07Å; T714-F716 VanDerWaalsContact OG1-N 3.11Å; T714-F716 PolarHBondContact OG1-O 2.87Å
715	R	97.5	Very high	97.6	Very high	175 Å²	175	52 Å²	52	66%	0.66	24%	0.235	S	C	*	.	S	Bend	trans	60.8	13	-167.1	-53.4	-58.8	-177.5	177.2	0.6	114.9	Y711	Y711-R715 WeakPolarHBondContact O-CA 3.41Å; Y711-R715 PolarHBondContact O-N 2.88Å
716	F	97.8	Very high	97.4	Very high	129 Å²	129	48.9 Å²	48.9	57%	0.566	22%	0.221	S	C	*	.			trans	-110.4	144.5	173.9	-70.8	-77.1	0	0	0	111.2	P647 F710 T714	P647-F716 HydrophobicContact CB-CB 3.8Å; P647-F716 HydrophobicContact CB-CG 4.42Å; P647-F716 HydrophobicContact CG-CB 3.71Å; P647-F716 HydrophobicContact CG-CD1 3.72Å; P647-F716 HydrophobicContact CG-CG 3.85Å; F710-F716 VanDerWaalsContact CD1-O 3.26Å; F710-F716 WeakPolarHBondContact CD1-O 3.41Å; F710-F716 HydrophobicContact CE1-CB 4.35Å; F710-F716 WeakPolarHBondContact CE1-O 3.22Å; T714-F716 WeakPolarHBondContact O-CD2 3.31Å; T714-F716 PolarHBondContact O-N 3.12Å; T714-F716 PolarHBondContact OG1-N 3.07Å; T714-F716 VanDerWaalsContact OG1-N 3.11Å; T714-F716 PolarHBondContact OG1-O 2.87Å
717	K	97.7	Very high	96.7	Very high	92 Å²	92	51 Å²	51	40%	0.4	24%	0.243	S	C	.	.			trans	-88.4	127.2	166.2	-65	174.5	177.9	174.4	0	107.8	P647 Y711 T719 E752 Y755	P647-K717 WeakPolarHBondContact CB-O 3.17Å; Y711-K717 HydrophobicContact CD2-CG 3.92Å; Y711-K717 HydrophobicContact CE2-CG 4.09Å; K717-T719 PolarHBondContact O-N 3.11Å; K717-E752 WeakPolarHBondContact CE-OE2 3.44Å; K717-E752 IonicContact NZ-OE1 3.35Å; K717-E752 PolarHBondContact NZ-OE1 2.79Å; K717-E752 IonicContact NZ-OE2 3.92Å; K717-E752 PolarHBondContact NZ-OE2 3.16Å; K717-Y755 HydrophobicContact CB-CE2 4.4Å
718	P	98.2	Very high	96.3	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.019	24%	0.242	C	C	.	.			trans	-57.2	127	176.1	-25	33.9	0	0	0	111.5	P647 I649 L707 F710 R720 Y755 P757	P647-P718 CarbonylContact O-C 3.53Å; P647-P718 WeakPolarHBondContact O-CA 3.3Å; I649-P718 HydrophobicContact CB-CB 4.3Å; I649-P718 HydrophobicContact CB-CG 3.99Å; I649-P718 HydrophobicContact CG2-CB 3.84Å; I649-P718 HydrophobicContact CG2-CG 3.82Å; L707-P718 HydrophobicContact CD2-CG 3.88Å; F710-P718 HydrophobicContact CD1-CG 3.5Å; F710-P718 HydrophobicContact CE1-CG 3.61Å; F710-P718 HydrophobicContact CG-CG 4.05Å; F710-P718 HydrophobicContact CZ-CG 4.23Å; P718-R720 VanDerWaalsContact C-N 3.32Å; P718-Y755 WeakPolarHBondContact CD-OH 3.14Å; P718-Y755 VanDerWaalsContact O-CE2 3.32Å; P718-Y755 WeakPolarHBondContact O-CE2 3.33Å; P718-Y755 PolarHBondContact O-OH 3.3Å; P718-P757 WeakPolarHBondContact O-CB 3.35Å
719	T	98.1	Very high	95.8	Very high	59 Å²	59	51 Å²	51	36%	0.362	25%	0.249	S	C	.	.	S	Bend	trans	-82.9	-18.7	166.6	59.7	0	0	0	0	111	E646 P647 K717 P757 G758	E646-T719 VanDerWaalsContact CB-OG1 3.26Å; E646-T719 WeakPolarHBondContact CB-OG1 3.49Å; E646-T719 PolarHBondContact OE2-OG1 3.48Å; P647-T719 PolarHBondContact O-N 3.45Å; P647-T719 PolarHBondContact O-OG1 2.78Å; K717-T719 PolarHBondContact O-N 3.11Å; T719-P757 CarbonylContact O-C 3.53Å; T719-P757 VanDerWaalsContact O-CA 3.32Å; T719-P757 WeakPolarHBondContact O-CA 3.49Å; T719-P757 WeakPolarHBondContact O-CB 3.44Å; T719-G758 PolarHBondContact O-N 3.39Å
720	R	98.4	Very high	95.3	Very high	51 Å²	51	52.3 Å²	52.3	19%	0.192	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.4	179	-55.5	-171.8	176.3	73.1	16.4	112.1	E646 P647 I648 I649 P718 G758 N829	E646-R720 VanDerWaalsContact CD-NH1 3.33Å; E646-R720 IonicContact OE1-NH2 3.7Å; E646-R720 IonicContact OE2-CZ 3.08Å; E646-R720 IonicContact OE2-NH1 2.7Å; E646-R720 PolarHBondContact OE2-NH1 3.28Å; E646-R720 IonicContact OE2-NH2 2.83Å; E646-R720 PolarHBondContact OE2-NH2 3.24Å; P647-R720 PolarHBondContact O-N 2.8Å; I648-R720 WeakPolarHBondContact CA-O 3.29Å; I648-R720 HydrophobicContact CB-CB 4.18Å; I648-R720 HydrophobicContact CD1-CB 4.02Å; I648-R720 HydrophobicContact CG1-CB 4Å; I649-R720 PolarHBondContact N-O 2.96Å; I649-R720 VanDerWaalsContact N-O 3.11Å; P718-R720 VanDerWaalsContact C-N 3.32Å; R720-G758 CarbonylContact C-O 3.55Å; R720-G758 WeakPolarHBondContact CA-O 3.47Å; R720-N829 VanDerWaalsContact CD-OD1 3.27Å; R720-N829 WeakPolarHBondContact CD-OD1 3.19Å; R720-N829 VanDerWaalsContact CG-OD1 3.23Å; R720-N829 WeakPolarHBondContact CG-OD1 3.08Å
721	I	98.7	Very high	94.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.1	172	-55.5	178.3	0	0	0	108.2	I649 M651 L707 M744 P757 G758 I759 T760	I649-I721 HydrophobicContact CG2-CB 4.16Å; I649-I721 HydrophobicContact CG2-CG1 3.78Å; I649-I721 HydrophobicContact CG2-CG2 4.07Å; M651-I721 HydrophobicContact CE-CG2 4.25Å; M651-I721 HydrophobicContact CG-CG2 4.45Å; M651-I721 HydrophobicContact SD-CG2 3.98Å; L707-I721 HydrophobicContact CD1-CD1 4.47Å; L707-I721 HydrophobicContact CD2-CD1 4.18Å; I721-M744 HydrophobicContact CB-CE 4.39Å; I721-M744 HydrophobicContact CG2-CE 3.46Å; I721-M744 VanDerWaalsContact CG2-CE 3.46Å; I721-P757 HydrophobicContact CD1-CB 4.38Å; I721-P757 HydrophobicContact CD1-CG 3.61Å; I721-P757 HydrophobicContact CG1-CB 4.2Å; I721-P757 HydrophobicContact CG1-CG 3.98Å; I721-G758 PolarHBondContact N-O 2.97Å; I721-I759 HydrophobicContact CB-CG1 4.33Å; I721-I759 CarbonylContact O-C 3.18Å; I721-I759 WeakPolarHBondContact O-CA 3.13Å; I721-T760 PolarHBondContact O-N 2.89Å
722	L	98.7	Very high	94.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	111.9	176.4	-169.4	137.6	0	0	0	110.4	I643 I648 I649 F650 M651 Y724 T760 L831 L836 L839	I643-L722 HydrophobicContact CD1-CD1 4.28Å; I648-L722 HydrophobicContact CD1-CB 4.2Å; I649-L722 PolarHBondContact O-N 2.99Å; F650-L722 HydrophobicContact CD1-CB 4.25Å; F650-L722 HydrophobicContact CD1-CD2 4.02Å; F650-L722 HydrophobicContact CE1-CD2 4.41Å; M651-L722 PolarHBondContact N-O 2.78Å; L722-Y724 HydrophobicContact CD2-CD2 3.69Å; L722-Y724 HydrophobicContact CD2-CE2 3.08Å; L722-T760 WeakPolarHBondContact CA-O 3.27Å; L722-T760 HydrophobicContact CD1-CG2 4.11Å; L722-T760 HydrophobicContact CG-CG2 4.46Å; L722-L831 HydrophobicContact CD1-CD1 3.93Å; L722-L836 HydrophobicContact CD1-CD1 4.3Å; L722-L839 HydrophobicContact CD1-CD2 3.8Å
723	L	98.8	Very high	94.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.6	-176.6	176.8	65.7	0	0	0	111.2	M651 A653 M744 T760 F761 V762	M651-L723 HydrophobicContact CB-CB 4.43Å; M651-L723 HydrophobicContact CB-CD1 3.59Å; A653-L723 HydrophobicContact CB-CD1 3.88Å; L723-M744 HydrophobicContact CB-CE 4.1Å; L723-M744 HydrophobicContact CB-SD 4.45Å; L723-M744 HydrophobicContact CD2-CE 4.26Å; L723-M744 HydrophobicContact CD2-SD 3.61Å; L723-T760 PolarHBondContact N-O 2.84Å; L723-F761 HydrophobicContact CD2-CD2 3.83Å; L723-F761 HydrophobicContact CD2-CE2 3.52Å; L723-F761 HydrophobicContact CD2-CG 4.47Å; L723-F761 HydrophobicContact CD2-CZ 3.92Å; L723-V762 PolarHBondContact O-N 2.93Å
724	Y	98.8	Very high	94.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	108	164.4	-71.4	-79.5	0	0	0	110.5	M651 G652 A653 L722 V762 V764 Y822 T840 L843 P857 P859	M651-Y724 PolarHBondContact O-N 2.82Å; G652-Y724 WeakPolarHBondContact CA-O 3.38Å; A653-Y724 PolarHBondContact N-O 2.99Å; L722-Y724 HydrophobicContact CD2-CD2 3.69Å; L722-Y724 HydrophobicContact CD2-CE2 3.08Å; Y724-V762 CarbonylContact C-O 3.41Å; Y724-V762 WeakPolarHBondContact CA-O 3.4Å; Y724-V762 HydrophobicContact CD1-CB 3.9Å; Y724-V762 HydrophobicContact CD1-CG1 4.02Å; Y724-V762 HydrophobicContact CE1-CB 4.08Å; Y724-V762 HydrophobicContact CE1-CG1 4Å; Y724-V762 HydrophobicContact CE1-CG2 4.4Å; Y724-V764 HydrophobicContact CD1-CG2 3.54Å; Y724-V764 HydrophobicContact CG-CG2 4.17Å; Y724-Y822 HydrophobicContact CD1-CD1 4.3Å; Y724-Y822 HydrophobicContact CD1-CE1 4.36Å; Y724-Y822 HydrophobicContact CE1-CD1 4.06Å; Y724-Y822 HydrophobicContact CE1-CE1 4.18Å; Y724-T840 HydrophobicContact CE1-CG2 4.05Å; Y724-T840 WeakPolarHBondContact OH-CA 3.5Å; Y724-T840 WeakPolarHBondContact OH-CB 3.48Å; Y724-T840 PolarHBondContact OH-OG1 2.93Å; Y724-L843 HydrophobicContact CD2-CD1 4.46Å; Y724-L843 HydrophobicContact CE2-CD1 3.51Å; Y724-P857 HydrophobicContact CD1-CG 3.95Å; Y724-P857 HydrophobicContact CD2-CB 4.14Å; Y724-P857 HydrophobicContact CD2-CG 4.27Å; Y724-P857 HydrophobicContact CE1-CG 3.85Å; Y724-P857 HydrophobicContact CE2-CB 4.2Å; Y724-P857 HydrophobicContact CE2-CG 4.17Å; Y724-P857 HydrophobicContact CG-CB 4.35Å; Y724-P857 HydrophobicContact CG-CG 4.15Å; Y724-P859 HydrophobicContact CD2-CG 4.02Å
725	R	98.1	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	106	179.5	179.7	65.8	176.7	82.3	7.2	110.4	I655 E694 V728 E740 F761 V762 A763 V764	I655-R725 VanDerWaalsContact CD1-NH2 3.25Å; E694-R725 PolarHBondContact O-NH2 2.88Å; E694-R725 IonicContact OE1-CZ 3.26Å; E694-R725 IonicContact OE1-NH1 3.09Å; E694-R725 IonicContact OE1-NH2 3.37Å; E694-R725 PolarHBondContact OE1-NH2 3.22Å; R725-V728 HydrophobicContact CG-CG2 3.56Å; R725-V728 VanDerWaalsContact CZ-CG2 3.41Å; R725-E740 WeakPolarHBondContact CD-OE2 3.4Å; R725-E740 IonicContact CZ-OE1 3.99Å; R725-E740 IonicContact NE-OE1 2.72Å; R725-E740 PolarHBondContact NE-OE1 2.79Å; R725-E740 IonicContact NE-OE2 3.83Å; R725-E740 PolarHBondContact NE-OE2 3.05Å; R725-E740 IonicContact NH2-OE1 2.81Å; R725-F761 HydrophobicContact CB-CE1 3.64Å; R725-F761 HydrophobicContact CB-CZ 3.91Å; R725-F761 HydrophobicContact CG-CE1 4.09Å; R725-F761 HydrophobicContact CG-CZ 4.06Å; R725-V762 PolarHBondContact N-O 2.96Å; R725-A763 CarbonylContact O-C 3.57Å; R725-A763 WeakPolarHBondContact O-CA 3.14Å; R725-V764 PolarHBondContact O-N 3.12Å
726	D	94	Very high	94	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	145	-178.6	-170	20	0	0	0	112.1	A653 V728 V764 A860	A653-D726 PolarHBondContact O-N 3.15Å; D726-V728 PolarHBondContact O-N 3.37Å; D726-V764 WeakPolarHBondContact CA-O 3.5Å; D726-A860 HydrophobicContact CB-CB 4.39Å
727	G	81.7	Confident	93.9	Very high	46 Å²	46	35.7 Å²	35.7	47%	0.474	21%	0.207	S	C	.	.	S	Bend	trans	90.5	-7.5	163.7	0	0	0	0	0	117	S729 V764	G727-S729 PolarHBondContact O-N 2.99Å; G727-V764 PolarHBondContact N-O 2.97Å
728	V	90.5	Very high	93.8	Very high	2 Å²	2	32 Å²	32	1%	0.012	19%	0.191	C	C	.	.			trans	-72.7	128.9	179.9	-174.1	0	0	0	0	110.3	R725 D726 Q732 F733 V736 Q765	R725-V728 HydrophobicContact CG-CG2 3.56Å; R725-V728 VanDerWaalsContact CZ-CG2 3.41Å; D726-V728 PolarHBondContact O-N 3.37Å; V728-Q732 HydrophobicContact CG1-CB 3.93Å; V728-F733 HydrophobicContact CB-CD1 4.31Å; V728-F733 HydrophobicContact CB-CE1 4.2Å; V728-F733 HydrophobicContact CG1-CD1 3.72Å; V728-F733 HydrophobicContact CG1-CE1 4.08Å; V728-F733 WeakPolarHBondContact O-CE1 3.32Å; V728-V736 HydrophobicContact CG1-CB 4.17Å; V728-V736 HydrophobicContact CG1-CG1 4.38Å; V728-V736 HydrophobicContact CG1-CG2 3.81Å; V728-V736 HydrophobicContact CG2-CG1 4.18Å; V728-V736 HydrophobicContact CG2-CG2 4.46Å; V728-Q765 WeakPolarHBondContact O-CG 3.32Å; V728-Q765 PolarHBondContact O-NE2 3.26Å
729	S	87	Confident	93.8	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	21%	0.213	S	C	.	.			trans	-78.7	151.8	173.5	74.3	0	0	0	0	111.9	G727 G731 Q732 F733	G727-S729 PolarHBondContact O-N 2.99Å; S729-G731 VanDerWaalsContact C-N 3.27Å; S729-G731 PolarHBondContact O-N 3.06Å; S729-Q732 WeakPolarHBondContact O-CA 3.26Å; S729-Q732 WeakPolarHBondContact O-CB 3.24Å; S729-Q732 PolarHBondContact O-N 3.01Å; S729-Q732 WeakPolarHBondContact OG-CG 3.38Å; S729-F733 WeakPolarHBondContact O-CD1 3.47Å; S729-F733 PolarHBondContact O-N 3.42Å
730	E	86.1	Confident	93.7	Very high	69 Å²	69	34 Å²	34	32%	0.322	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.2	-39.4	-177	-60.5	176.7	159	0	0	113.4	R263 Q732 F733 H821	R263-E730 IonicContact CZ-OE1 3.27Å; R263-E730 VanDerWaalsContact CZ-OE1 3.3Å; R263-E730 IonicContact CZ-OE2 2.93Å; R263-E730 IonicContact NH1-OE1 3.45Å; R263-E730 PolarHBondContact NH1-OE1 2.83Å; R263-E730 IonicContact NH1-OE2 3.26Å; R263-E730 PolarHBondContact NH1-OE2 3.3Å; R263-E730 IonicContact NH2-OE1 3.65Å; R263-E730 PolarHBondContact NH2-OE1 3.13Å; R263-E730 IonicContact NH2-OE2 3.94Å; E730-Q732 PolarHBondContact O-N 3.34Å; E730-F733 HydrophobicContact CB-CD2 4.33Å; E730-F733 HydrophobicContact CB-CE2 4.18Å; E730-F733 HydrophobicContact CB-CZ 4.48Å; E730-F733 HydrophobicContact CG-CD2 4.44Å; E730-F733 HydrophobicContact CG-CE2 3.81Å; E730-F733 HydrophobicContact CG-CZ 3.93Å; E730-F733 WeakPolarHBondContact O-CB 3.49Å; E730-F733 PolarHBondContact O-N 2.72Å; E730-F733 VanDerWaalsContact O-N 3.1Å; E730-H821 IonicContact OE1-CE1 3.04Å
731	G	85.8	Confident	93.7	Very high	67 Å²	67	31.6 Å²	31.6	69%	0.691	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-68.3	1	176.2	0	0	0	0	0	114.7	S729	S729-G731 VanDerWaalsContact C-N 3.27Å; S729-G731 PolarHBondContact O-N 3.06Å
732	Q	90.4	Very high	93.7	Very high	72 Å²	72	36 Å²	36	34%	0.336	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-117.6	-6.7	174.6	-63.4	-65.8	-71.3	0	0	112.5	V728 S729 E730 F734 N735 V736	V728-Q732 HydrophobicContact CG1-CB 3.93Å; S729-Q732 WeakPolarHBondContact O-CA 3.26Å; S729-Q732 WeakPolarHBondContact O-CB 3.24Å; S729-Q732 PolarHBondContact O-N 3.01Å; S729-Q732 WeakPolarHBondContact OG-CG 3.38Å; E730-Q732 PolarHBondContact O-N 3.34Å; Q732-F734 VanDerWaalsContact C-N 3.33Å; Q732-F734 PolarHBondContact O-N 2.78Å; Q732-N735 PolarHBondContact O-N 3.03Å; Q732-V736 HydrophobicContact CB-CG2 4.23Å; Q732-V736 WeakPolarHBondContact O-CB 3.41Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 3.13Å
733	F	93.3	Very high	93.6	Very high	19 Å²	19	36.6 Å²	36.6	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-53.7	-48.1	-176.1	-75.3	-7.9	0	0	0	112.6	V728 S729 E730 V736 L737 A763 Q765 H823 L825	V728-F733 HydrophobicContact CB-CD1 4.31Å; V728-F733 HydrophobicContact CB-CE1 4.2Å; V728-F733 HydrophobicContact CG1-CD1 3.72Å; V728-F733 HydrophobicContact CG1-CE1 4.08Å; V728-F733 WeakPolarHBondContact O-CE1 3.32Å; S729-F733 WeakPolarHBondContact O-CD1 3.47Å; S729-F733 PolarHBondContact O-N 3.42Å; E730-F733 HydrophobicContact CB-CD2 4.33Å; E730-F733 HydrophobicContact CB-CE2 4.18Å; E730-F733 HydrophobicContact CB-CZ 4.48Å; E730-F733 HydrophobicContact CG-CD2 4.44Å; E730-F733 HydrophobicContact CG-CE2 3.81Å; E730-F733 HydrophobicContact CG-CZ 3.93Å; E730-F733 WeakPolarHBondContact O-CB 3.49Å; E730-F733 PolarHBondContact O-N 2.72Å; E730-F733 VanDerWaalsContact O-N 3.1Å; F733-V736 PolarHBondContact O-N 3.41Å; F733-L737 WeakPolarHBondContact O-CB 3.18Å; F733-L737 PolarHBondContact O-N 3.02Å; F733-A763 HydrophobicContact CD1-CB 4.33Å; F733-A763 HydrophobicContact CE1-CB 3.65Å; F733-A763 HydrophobicContact CZ-CB 3.88Å; F733-Q765 VanDerWaalsContact CZ-NE2 3.26Å; F733-H823 HydrophobicContact CE2-CB 3.87Å; F733-H823 AromaticContact CE2-CG 3.72Å; F733-H823 AromaticContact CE2-ND1 3.8Å; F733-H823 HydrophobicContact CZ-CB 4.12Å; F733-L825 HydrophobicContact CB-CD1 4.19Å; F733-L825 HydrophobicContact CB-CD2 3.91Å; F733-L825 HydrophobicContact CD1-CD1 4.19Å; F733-L825 HydrophobicContact CD1-CD2 4.38Å; F733-L825 HydrophobicContact CD2-CD2 3.65Å; F733-L825 HydrophobicContact CE2-CD2 4.18Å; F733-L825 HydrophobicContact CG-CD1 4.2Å; F733-L825 HydrophobicContact CG-CD2 3.76Å
734	F	92.5	Very high	93.6	Very high	109 Å²	109	36.6 Å²	36.6	48%	0.478	21%	0.208	S	C	.	.	H	α-helix	trans	-58.2	-53.7	-179	-179.5	-99.2	0	0	0	111.9	V77 Q732 L737 Q738	V77-F734 HydrophobicContact CG1-CE2 3.62Å; V77-F734 HydrophobicContact CG1-CZ 3.74Å; Q732-F734 VanDerWaalsContact C-N 3.33Å; Q732-F734 PolarHBondContact O-N 2.78Å; F734-L737 PolarHBondContact O-N 2.8Å; F734-Q738 HydrophobicContact CD1-CG 4.33Å; F734-Q738 HydrophobicContact CE1-CG 3.96Å; F734-Q738 HydrophobicContact CE2-CG 4.32Å; F734-Q738 HydrophobicContact CZ-CG 3.95Å; F734-Q738 VanDerWaalsContact O-CG 3.32Å; F734-Q738 WeakPolarHBondContact O-CG 3.26Å; F734-Q738 PolarHBondContact O-N 3.01Å
735	N	93.2	Very high	93.6	Very high	73 Å²	73	40.5 Å²	40.5	39%	0.39	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-45.8	-178	-67.1	-21.4	0	0	0	111.6	Q732 L737 Q738 H739	Q732-N735 PolarHBondContact O-N 3.03Å; N735-L737 VanDerWaalsContact C-N 3.33Å; N735-L737 PolarHBondContact O-N 2.76Å; N735-Q738 PolarHBondContact O-N 3.05Å; N735-H739 PolarHBondContact O-CD2 3.46Å; N735-H739 PolarHBondContact O-N 3.15Å; N735-H739 VanDerWaalsContact O-N 3.14Å
736	V	95.4	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-45.7	178.2	169.5	0	0	0	0	110.5	I695 V728 Q732 F733 Q738 H739 E740 F761	I695-V736 HydrophobicContact CG1-CG2 4.14Å; V728-V736 HydrophobicContact CG1-CB 4.17Å; V728-V736 HydrophobicContact CG1-CG1 4.38Å; V728-V736 HydrophobicContact CG1-CG2 3.81Å; V728-V736 HydrophobicContact CG2-CG1 4.18Å; V728-V736 HydrophobicContact CG2-CG2 4.46Å; Q732-V736 HydrophobicContact CB-CG2 4.23Å; Q732-V736 WeakPolarHBondContact O-CB 3.41Å; Q732-V736 WeakPolarHBondContact O-CG2 3.43Å; Q732-V736 PolarHBondContact O-N 3.13Å; F733-V736 PolarHBondContact O-N 3.41Å; V736-Q738 PolarHBondContact O-N 3.21Å; V736-H739 PolarHBondContact O-N 2.7Å; V736-E740 HydrophobicContact CG1-CG 4.08Å; V736-E740 VanDerWaalsContact O-CB 3.25Å; V736-E740 WeakPolarHBondContact O-CB 3.44Å; V736-E740 WeakPolarHBondContact O-CG 3.49Å; V736-E740 PolarHBondContact O-N 3Å; V736-F761 HydrophobicContact CG1-CZ 4.26Å
737	L	96.5	Very high	93.7	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-48	176.6	175.3	64.9	0	0	0	111.8	F78 F733 F734 N735 H739 L741 L825 W826	F78-L737 HydrophobicContact CB-CD2 3.93Å; F78-L737 HydrophobicContact CB-CG 4.1Å; F733-L737 WeakPolarHBondContact O-CB 3.18Å; F733-L737 PolarHBondContact O-N 3.02Å; F734-L737 PolarHBondContact O-N 2.8Å; N735-L737 VanDerWaalsContact C-N 3.33Å; N735-L737 PolarHBondContact O-N 2.76Å; L737-H739 VanDerWaalsContact C-N 3.28Å; L737-H739 PolarHBondContact O-N 2.91Å; L737-L741 HydrophobicContact CD1-CB 4.03Å; L737-L741 HydrophobicContact CD1-CD2 4.02Å; L737-L741 WeakPolarHBondContact O-CB 3.32Å; L737-L741 PolarHBondContact O-N 2.65Å; L737-L825 HydrophobicContact CB-CB 4.5Å; L737-L825 HydrophobicContact CB-CD1 4.43Å; L737-L825 HydrophobicContact CD1-CB 3.95Å; L737-L825 HydrophobicContact CD2-CB 4.23Å; L737-L825 WeakPolarHBondContact CD2-O 3.39Å; L737-L825 HydrophobicContact CG-CB 4.44Å; L737-W826 HydrophobicContact CD1-CB 3.92Å
738	Q	96.6	Very high	94.5	Very high	14 Å²	14	42.1 Å²	42.1	7%	0.065	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-42.1	-178.5	-67.5	-35.9	-66.3	0	0	112	F78 F734 N735 V736 R742	F78-Q738 PolarHBondContact O-NE2 3.39Å; F734-Q738 HydrophobicContact CD1-CG 4.33Å; F734-Q738 HydrophobicContact CE1-CG 3.96Å; F734-Q738 HydrophobicContact CE2-CG 4.32Å; F734-Q738 HydrophobicContact CZ-CG 3.95Å; F734-Q738 VanDerWaalsContact O-CG 3.32Å; F734-Q738 WeakPolarHBondContact O-CG 3.26Å; F734-Q738 PolarHBondContact O-N 3.01Å; N735-Q738 PolarHBondContact O-N 3.05Å; V736-Q738 PolarHBondContact O-N 3.21Å; Q738-R742 WeakPolarHBondContact O-CD 3.31Å; Q738-R742 WeakPolarHBondContact O-CG 3.34Å
739	H	96.4	Very high	94.8	Very high	104 Å²	104	47.1 Å²	47.1	48%	0.481	24%	0.242	S	C	.	.	H	α-helix	trans	-81.1	-51.5	-177.7	-73	-75.2	0	0	0	112.2	I695 N735 V736 L737 R742 A743	I695-H739 HydrophobicContact CG2-CB 3.76Å; N735-H739 PolarHBondContact O-CD2 3.46Å; N735-H739 PolarHBondContact O-N 3.15Å; N735-H739 VanDerWaalsContact O-N 3.14Å; V736-H739 PolarHBondContact O-N 2.7Å; L737-H739 VanDerWaalsContact C-N 3.28Å; L737-H739 PolarHBondContact O-N 2.91Å; H739-R742 PolarHBondContact O-N 3.4Å; H739-A743 PolarHBondContact O-N 3.4Å
740	E	98	Very high	95.3	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-71.8	-36.3	-170.8	-67.5	-170.3	-171	0	0	112	I695 I696 L699 R725 V736 A743 M744 F761	I695-E740 HydrophobicContact CG2-CG 4.5Å; I696-E740 WeakPolarHBondContact CG1-OE1 3.22Å; I696-E740 PolarHBondContact N-OE1 3.34Å; I696-E740 VanDerWaalsContact N-OE1 3.12Å; L699-E740 HydrophobicContact CD2-CB 3.44Å; L699-E740 VanDerWaalsContact CD2-CB 3.44Å; L699-E740 HydrophobicContact CD2-CG 3.71Å; L699-E740 WeakPolarHBondContact CD2-O 3.44Å; R725-E740 WeakPolarHBondContact CD-OE2 3.4Å; R725-E740 IonicContact CZ-OE1 3.99Å; R725-E740 IonicContact NE-OE1 2.72Å; R725-E740 PolarHBondContact NE-OE1 2.79Å; R725-E740 IonicContact NE-OE2 3.83Å; R725-E740 PolarHBondContact NE-OE2 3.05Å; R725-E740 IonicContact NH2-OE1 2.81Å; V736-E740 HydrophobicContact CG1-CG 4.08Å; V736-E740 VanDerWaalsContact O-CB 3.25Å; V736-E740 WeakPolarHBondContact O-CB 3.44Å; V736-E740 WeakPolarHBondContact O-CG 3.49Å; V736-E740 PolarHBondContact O-N 3Å; E740-A743 PolarHBondContact O-N 3.21Å; E740-M744 WeakPolarHBondContact O-CG 3.44Å; E740-M744 PolarHBondContact O-N 3.24Å; E740-F761 HydrophobicContact CB-CE2 3.78Å; E740-F761 HydrophobicContact CB-CZ 4.17Å; E740-F761 WeakPolarHBondContact OE2-CZ 3.31Å
741	L	97.8	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-39.6	175.3	-177.6	62.2	0	0	0	112.1	F78 L737 M744 R745 I759 W826	F78-L741 HydrophobicContact CB-CD2 4.22Å; F78-L741 HydrophobicContact CD1-CD2 3.84Å; F78-L741 HydrophobicContact CD2-CD2 3.97Å; F78-L741 HydrophobicContact CE1-CD2 4.22Å; F78-L741 HydrophobicContact CE2-CD2 4.33Å; F78-L741 HydrophobicContact CG-CD2 3.72Å; F78-L741 HydrophobicContact CZ-CD2 4.45Å; L737-L741 HydrophobicContact CD1-CB 4.03Å; L737-L741 HydrophobicContact CD1-CD2 4.02Å; L737-L741 WeakPolarHBondContact O-CB 3.32Å; L737-L741 PolarHBondContact O-N 2.65Å; L741-M744 PolarHBondContact O-N 3.3Å; L741-R745 WeakPolarHBondContact O-CG 3.5Å; L741-R745 PolarHBondContact O-N 2.88Å; L741-I759 HydrophobicContact CD1-CB 4.12Å; L741-I759 HydrophobicContact CD1-CD1 3.89Å; L741-I759 HydrophobicContact CD1-CG2 3.76Å; L741-W826 HydrophobicContact CD1-CG 4.24Å; L741-W826 HydrophobicContact CD2-CB 4.12Å; L741-W826 HydrophobicContact CD2-CD2 3.56Å; L741-W826 HydrophobicContact CD2-CE3 4.11Å; L741-W826 HydrophobicContact CD2-CG 3.53Å
742	R	97.4	Very high	96.3	Very high	92 Å²	92	49.2 Å²	49.2	35%	0.347	23%	0.23	S	C	.	.	H	α-helix	trans	-61.4	-46.3	175	-71.1	178.3	-172.8	176	0	110.6	S75 A76 F78 Q738 H739 M744 R745 E746	S75-R742 PolarHBondContact OG-NH2 3.23Å; A76-R742 PolarHBondContact O-NH2 2.92Å; F78-R742 HydrophobicContact CE2-CG 3.62Å; F78-R742 HydrophobicContact CZ-CG 4.32Å; Q738-R742 WeakPolarHBondContact O-CD 3.31Å; Q738-R742 WeakPolarHBondContact O-CG 3.34Å; H739-R742 PolarHBondContact O-N 3.4Å; R742-M744 VanDerWaalsContact C-N 3.32Å; R742-M744 PolarHBondContact O-N 3.05Å; R742-R745 PolarHBondContact O-N 3.4Å; R742-E746 WeakPolarHBondContact O-CB 3.39Å; R742-E746 PolarHBondContact O-N 3.21Å
743	A	97.9	Very high	96.5	Very high	13 Å²	13	57.7 Å²	57.7	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-39	177.9	0	0	0	0	0	112.5	L699 A700 H739 E740 E746 A747	L699-A743 HydrophobicContact CB-CB 3.97Å; L699-A743 HydrophobicContact CD2-CB 4.34Å; L699-A743 HydrophobicContact CG-CB 4.35Å; A700-A743 WeakPolarHBondContact CA-O 3.49Å; A700-A743 HydrophobicContact CB-CB 4.08Å; A700-A743 WeakPolarHBondContact CB-O 3.49Å; H739-A743 PolarHBondContact O-N 3.4Å; E740-A743 PolarHBondContact O-N 3.21Å; A743-E746 PolarHBondContact O-N 2.96Å; A743-A747 WeakPolarHBondContact O-CB 3.04Å; A743-A747 PolarHBondContact O-N 2.83Å
744	M	98.4	Very high	96.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-42.8	174.8	-70	177.1	73	0	0	112.5	L699 V703 I721 L723 E740 L741 R742 A747 C748 I759 F761	L699-M744 HydrophobicContact CD2-CG 4.07Å; V703-M744 HydrophobicContact CG2-CG 4.14Å; I721-M744 HydrophobicContact CB-CE 4.39Å; I721-M744 HydrophobicContact CG2-CE 3.46Å; I721-M744 VanDerWaalsContact CG2-CE 3.46Å; L723-M744 HydrophobicContact CB-CE 4.1Å; L723-M744 HydrophobicContact CB-SD 4.45Å; L723-M744 HydrophobicContact CD2-CE 4.26Å; L723-M744 HydrophobicContact CD2-SD 3.61Å; E740-M744 WeakPolarHBondContact O-CG 3.44Å; E740-M744 PolarHBondContact O-N 3.24Å; L741-M744 PolarHBondContact O-N 3.3Å; R742-M744 VanDerWaalsContact C-N 3.32Å; R742-M744 PolarHBondContact O-N 3.05Å; M744-A747 WeakPolarHBondContact O-CB 3.26Å; M744-A747 PolarHBondContact O-N 2.9Å; M744-C748 PolarHBondContact O-N 2.97Å; M744-C748 PolarHBondContact O-SG 3.48Å; M744-I759 HydrophobicContact CB-CD1 3.88Å; M744-I759 HydrophobicContact CE-CD1 4.39Å; M744-I759 HydrophobicContact CE-CG1 4.48Å; M744-I759 HydrophobicContact CE-CG2 3.66Å; M744-I759 HydrophobicContact SD-CG2 4.16Å; M744-F761 HydrophobicContact SD-CD2 4.16Å; M744-F761 HydrophobicContact SD-CE2 4.39Å
745	R	97.8	Very high	96.8	Very high	81 Å²	81	55.9 Å²	55.9	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-66.1	-41.7	176.4	-72.2	-178.3	171.5	-178.2	-2.8	111.5	F78 L741 R742 A747 C748 M749 I759 D828	F78-R745 VanDerWaalsContact CE1-NH1 3.3Å; L741-R745 WeakPolarHBondContact O-CG 3.5Å; L741-R745 PolarHBondContact O-N 2.88Å; R742-R745 PolarHBondContact O-N 3.4Å; R745-A747 PolarHBondContact O-N 3.21Å; R745-C748 WeakPolarHBondContact O-CB 3.41Å; R745-C748 PolarHBondContact O-N 3.26Å; R745-M749 WeakPolarHBondContact O-CG 3.4Å; R745-M749 PolarHBondContact O-N 3.22Å; R745-I759 HydrophobicContact CG-CD1 3.78Å; R745-D828 IonicContact NH2-OD1 2.76Å; R745-D828 PolarHBondContact NH2-OD1 2.85Å; R745-D828 IonicContact NH2-OD2 3.38Å; R745-D828 PolarHBondContact NH2-OD2 2.96Å
746	E	97.4	Very high	96.9	Very high	98 Å²	98	60 Å²	60	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-56.7	-48.3	173.4	-175.6	-173.8	167.3	0	0	111.2	R742 A743 C748 M749 M750	R742-E746 WeakPolarHBondContact O-CB 3.39Å; R742-E746 PolarHBondContact O-N 3.21Å; A743-E746 PolarHBondContact O-N 2.96Å; E746-C748 PolarHBondContact O-N 2.85Å; E746-M749 PolarHBondContact O-N 3.31Å; E746-M749 VanDerWaalsContact O-N 3.09Å; E746-M750 HydrophobicContact CG-CG 4.21Å; E746-M750 HydrophobicContact CG-SD 4.11Å; E746-M750 WeakPolarHBondContact O-CB 3.18Å; E746-M750 VanDerWaalsContact O-CG 3.26Å; E746-M750 WeakPolarHBondContact O-CG 3.49Å; E746-M750 PolarHBondContact O-N 3.05Å
747	A	98.2	Very high	97.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55	-39.7	177.5	0	0	0	0	0	113	A700 V703 K704 A743 M744 R745 L751	A700-A747 WeakPolarHBondContact O-CB 3.27Å; V703-A747 HydrophobicContact CB-CB 3.8Å; V703-A747 HydrophobicContact CG1-CB 3.61Å; K704-A747 HydrophobicContact CB-CB 4.27Å; A743-A747 WeakPolarHBondContact O-CB 3.04Å; A743-A747 PolarHBondContact O-N 2.83Å; M744-A747 WeakPolarHBondContact O-CB 3.26Å; M744-A747 PolarHBondContact O-N 2.9Å; R745-A747 PolarHBondContact O-N 3.21Å; A747-L751 WeakPolarHBondContact O-CG 3.05Å; A747-L751 PolarHBondContact O-N 2.91Å
748	C	98.3	Very high	97.2	Very high	2 Å²	2	61 Å²	61	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-46.8	177	-59.8	0	0	0	0	111.2	M744 R745 E746 M750 L751 E752 Y755 P757	M744-C748 PolarHBondContact O-N 2.97Å; M744-C748 PolarHBondContact O-SG 3.48Å; R745-C748 WeakPolarHBondContact O-CB 3.41Å; R745-C748 PolarHBondContact O-N 3.26Å; E746-C748 PolarHBondContact O-N 2.85Å; C748-M750 VanDerWaalsContact C-N 3.31Å; C748-M750 PolarHBondContact O-N 2.8Å; C748-L751 WeakPolarHBondContact O-CB 3.39Å; C748-L751 PolarHBondContact O-N 3.18Å; C748-L751 VanDerWaalsContact O-N 3.1Å; C748-E752 PolarHBondContact O-N 3.29Å; C748-Y755 HydrophobicContact CB-CD1 3.61Å; C748-Y755 HydrophobicContact CB-CE1 3.88Å; C748-Y755 HydrophobicContact CB-CG 4.48Å; C748-Y755 WeakPolarHBondContact CB-O 3.2Å; C748-P757 HydrophobicContact CB-CG 4.45Å
749	M	96.7	Very high	97.2	Very high	107 Å²	107	60.5 Å²	60.5	53%	0.527	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-31.6	178.5	-66.3	-174.4	-62.3	0	0	113.1	R745 E746 L751	R745-M749 WeakPolarHBondContact O-CG 3.4Å; R745-M749 PolarHBondContact O-N 3.22Å; E746-M749 PolarHBondContact O-N 3.31Å; E746-M749 VanDerWaalsContact O-N 3.09Å; M749-L751 PolarHBondContact O-N 3.15Å
750	M	96.9	Very high	97.4	Very high	92 Å²	92	55.5 Å²	55.5	45%	0.453	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.2	174.2	-72.5	177.2	85.2	0	0	113.6	K704 E746 C748	K704-M750 HydrophobicContact CD-CB 4.34Å; K704-M750 HydrophobicContact CD-CE 4.35Å; E746-M750 HydrophobicContact CG-CG 4.21Å; E746-M750 HydrophobicContact CG-SD 4.11Å; E746-M750 WeakPolarHBondContact O-CB 3.18Å; E746-M750 VanDerWaalsContact O-CG 3.26Å; E746-M750 WeakPolarHBondContact O-CG 3.49Å; E746-M750 PolarHBondContact O-N 3.05Å; C748-M750 VanDerWaalsContact C-N 3.31Å; C748-M750 PolarHBondContact O-N 2.8Å
751	L	96.6	Very high	97.4	Very high	63 Å²	63	55.5 Å²	55.5	33%	0.33	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-45.2	178.9	-73.8	167.6	0	0	0	111.6	K704 L707 I708 A747 C748 M749	K704-L751 HydrophobicContact CD-CD2 4.47Å; K704-L751 HydrophobicContact CG-CD1 4.43Å; K704-L751 HydrophobicContact CG-CD2 3.8Å; K704-L751 HydrophobicContact CG-CG 4.03Å; L707-L751 HydrophobicContact CB-CD1 3.61Å; L707-L751 HydrophobicContact CD1-CD1 3.63Å; L707-L751 HydrophobicContact CG-CD1 4.28Å; I708-L751 HydrophobicContact CD1-CD2 3.8Å; I708-L751 HydrophobicContact CG1-CD2 3.54Å; A747-L751 WeakPolarHBondContact O-CG 3.05Å; A747-L751 PolarHBondContact O-N 2.91Å; C748-L751 WeakPolarHBondContact O-CB 3.39Å; C748-L751 PolarHBondContact O-N 3.18Å; C748-L751 VanDerWaalsContact O-N 3.1Å; M749-L751 PolarHBondContact O-N 3.15Å
752	E	96.2	Very high	97.4	Very high	89 Å²	89	55.5 Å²	55.5	42%	0.416	27%	0.267	S	S	.	.	S	Bend	trans	-155	132.7	-176	178.5	166.4	119.4	0	0	110.3	K717 C748 G754 Y755	K717-E752 WeakPolarHBondContact CE-OE2 3.44Å; K717-E752 IonicContact NZ-OE1 3.35Å; K717-E752 PolarHBondContact NZ-OE1 2.79Å; K717-E752 IonicContact NZ-OE2 3.92Å; K717-E752 PolarHBondContact NZ-OE2 3.16Å; C748-E752 PolarHBondContact O-N 3.29Å; E752-G754 PolarHBondContact O-N 3.22Å; E752-Y755 WeakPolarHBondContact O-CB 3.45Å; E752-Y755 PolarHBondContact O-N 3.26Å; E752-Y755 VanDerWaalsContact O-N 3.12Å
753	R	94.1	Very high	97.5	Very high	250 Å²	250	51.1 Å²	51.1	94%	0.943	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	123.9	178	-169.9	177.2	-177.6	179.9	0.5	109.4
754	G	94.5	Very high	97.5	Very high	59 Å²	59	50.5 Å²	50.5	61%	0.608	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	-1.6	-178.4	0	0	0	0	0	115	E752 Q756	E752-G754 PolarHBondContact O-N 3.22Å; G754-Q756 PolarHBondContact O-N 3.17Å; G754-Q756 VanDerWaalsContact O-N 3.11Å
755	Y	97.7	Very high	97.3	Very high	30 Å²	30	51.5 Å²	51.5	12%	0.118	25%	0.251	C	S	.	.			trans	-73.1	104.6	174.1	176.1	-124.7	0	0	0	110.8	L707 K717 P718 C748 E752 P757	L707-Y755 HydrophobicContact CD1-CE1 4.31Å; K717-Y755 HydrophobicContact CB-CE2 4.4Å; P718-Y755 WeakPolarHBondContact CD-OH 3.14Å; P718-Y755 VanDerWaalsContact O-CE2 3.32Å; P718-Y755 WeakPolarHBondContact O-CE2 3.33Å; P718-Y755 PolarHBondContact O-OH 3.3Å; C748-Y755 HydrophobicContact CB-CD1 3.61Å; C748-Y755 HydrophobicContact CB-CE1 3.88Å; C748-Y755 HydrophobicContact CB-CG 4.48Å; C748-Y755 WeakPolarHBondContact CB-O 3.2Å; E752-Y755 WeakPolarHBondContact O-CB 3.45Å; E752-Y755 PolarHBondContact O-N 3.26Å; E752-Y755 VanDerWaalsContact O-N 3.12Å; Y755-P757 HydrophobicContact CE1-CG 4.07Å; Y755-P757 HydrophobicContact CE2-CB 4.16Å; Y755-P757 HydrophobicContact CE2-CG 4.02Å
756	Q	97.2	Very high	97	Very high	159 Å²	159	51 Å²	51	74%	0.743	25%	0.251	S	S	*	.			trans	-130.5	71.1	-174.8	-66.9	-178.1	-24.5	0	0	110.6	G754	G754-Q756 PolarHBondContact O-N 3.17Å; G754-Q756 VanDerWaalsContact O-N 3.11Å
757	P	98	Very high	96.5	Very high	13 Å²	13	53.6 Å²	53.6	8%	0.084	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-65.3	150.3	176.3	30.5	-35.9	0	0	0	111.1	P718 T719 I721 C748 Y755 I759	P718-P757 WeakPolarHBondContact O-CB 3.35Å; T719-P757 CarbonylContact O-C 3.53Å; T719-P757 VanDerWaalsContact O-CA 3.32Å; T719-P757 WeakPolarHBondContact O-CA 3.49Å; T719-P757 WeakPolarHBondContact O-CB 3.44Å; I721-P757 HydrophobicContact CD1-CB 4.38Å; I721-P757 HydrophobicContact CD1-CG 3.61Å; I721-P757 HydrophobicContact CG1-CB 4.2Å; I721-P757 HydrophobicContact CG1-CG 3.98Å; C748-P757 HydrophobicContact CB-CG 4.45Å; Y755-P757 HydrophobicContact CE1-CG 4.07Å; Y755-P757 HydrophobicContact CE2-CB 4.16Å; Y755-P757 HydrophobicContact CE2-CG 4.02Å; P757-I759 PolarHBondContact O-N 2.73Å
758	G	98.2	Very high	96.2	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.9	176.5	0	0	0	0	0	111.6	T719 R720 I721 N829	T719-G758 PolarHBondContact O-N 3.39Å; R720-G758 CarbonylContact C-O 3.55Å; R720-G758 WeakPolarHBondContact CA-O 3.47Å; I721-G758 PolarHBondContact N-O 2.97Å; G758-N829 PolarHBondContact O-ND2 2.83Å
759	I	98.6	Very high	96	Very high	2 Å²	2	57 Å²	57	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.3	-179.4	-59.1	172.6	0	0	0	110.6	I721 L741 M744 R745 P757 D828	I721-I759 HydrophobicContact CB-CG1 4.33Å; I721-I759 CarbonylContact O-C 3.18Å; I721-I759 WeakPolarHBondContact O-CA 3.13Å; L741-I759 HydrophobicContact CD1-CB 4.12Å; L741-I759 HydrophobicContact CD1-CD1 3.89Å; L741-I759 HydrophobicContact CD1-CG2 3.76Å; M744-I759 HydrophobicContact CB-CD1 3.88Å; M744-I759 HydrophobicContact CE-CD1 4.39Å; M744-I759 HydrophobicContact CE-CG1 4.48Å; M744-I759 HydrophobicContact CE-CG2 3.66Å; M744-I759 HydrophobicContact SD-CG2 4.16Å; R745-I759 HydrophobicContact CG-CD1 3.78Å; P757-I759 PolarHBondContact O-N 2.73Å; I759-D828 PolarHBondContact N-OD2 2.84Å; I759-D828 VanDerWaalsContact N-OD2 3.07Å; I759-D828 PolarHBondContact O-N 2.83Å
760	T	98.8	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.4	163.4	-50.9	0	0	0	0	109.1	I721 L722 L723 V762 V824 W826 D827 N829 L831	I721-T760 PolarHBondContact O-N 2.89Å; L722-T760 WeakPolarHBondContact CA-O 3.27Å; L722-T760 HydrophobicContact CD1-CG2 4.11Å; L722-T760 HydrophobicContact CG-CG2 4.46Å; L723-T760 PolarHBondContact N-O 2.84Å; T760-V762 HydrophobicContact CG2-CG2 3.96Å; T760-V824 HydrophobicContact CG2-CG1 4.37Å; T760-W826 CarbonylContact C-O 3.46Å; T760-W826 WeakPolarHBondContact CA-O 3.41Å; T760-D827 WeakPolarHBondContact CB-OD1 3.45Å; T760-D827 HydrophobicContact CG2-CB 4.22Å; T760-D827 WeakPolarHBondContact CG2-OD1 3.42Å; T760-D827 PolarHBondContact OG1-OD1 3.41Å; T760-N829 PolarHBondContact OG1-ND2 2.76Å; T760-L831 HydrophobicContact CG2-CD1 4.12Å
761	F	98.7	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	112.7	-178.7	-164.1	-60	0	0	0	109.6	L723 R725 V736 E740 M744 V824 L825 W826	L723-F761 HydrophobicContact CD2-CD2 3.83Å; L723-F761 HydrophobicContact CD2-CE2 3.52Å; L723-F761 HydrophobicContact CD2-CG 4.47Å; L723-F761 HydrophobicContact CD2-CZ 3.92Å; R725-F761 HydrophobicContact CB-CE1 3.64Å; R725-F761 HydrophobicContact CB-CZ 3.91Å; R725-F761 HydrophobicContact CG-CE1 4.09Å; R725-F761 HydrophobicContact CG-CZ 4.06Å; V736-F761 HydrophobicContact CG1-CZ 4.26Å; E740-F761 HydrophobicContact CB-CE2 3.78Å; E740-F761 HydrophobicContact CB-CZ 4.17Å; E740-F761 WeakPolarHBondContact OE2-CZ 3.31Å; M744-F761 HydrophobicContact SD-CD2 4.16Å; M744-F761 HydrophobicContact SD-CE2 4.39Å; F761-V824 CarbonylContact O-C 3.6Å; F761-L825 HydrophobicContact CD1-CB 3.99Å; F761-L825 HydrophobicContact CD1-CD1 3.96Å; F761-L825 HydrophobicContact CD1-CG 4.22Å; F761-L825 HydrophobicContact CE1-CD1 3.88Å; F761-L825 PolarHBondContact O-N 3.06Å; F761-W826 HydrophobicContact CB-CB 3.85Å; F761-W826 PolarHBondContact N-O 3.07Å; F761-W826 PolarHBondContact O-N 3.05Å
762	V	98.7	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.4	-178.6	-171.2	0	0	0	0	110.1	L723 Y724 R725 T760 Y822 V824 L836	L723-V762 PolarHBondContact O-N 2.93Å; Y724-V762 CarbonylContact C-O 3.41Å; Y724-V762 WeakPolarHBondContact CA-O 3.4Å; Y724-V762 HydrophobicContact CD1-CB 3.9Å; Y724-V762 HydrophobicContact CD1-CG1 4.02Å; Y724-V762 HydrophobicContact CE1-CB 4.08Å; Y724-V762 HydrophobicContact CE1-CG1 4Å; Y724-V762 HydrophobicContact CE1-CG2 4.4Å; R725-V762 PolarHBondContact N-O 2.96Å; T760-V762 HydrophobicContact CG2-CG2 3.96Å; V762-Y822 HydrophobicContact CG1-CD1 4.12Å; V762-V824 HydrophobicContact CG2-CG2 4.38Å; V762-L836 HydrophobicContact CG2-CD1 4.4Å; V762-L836 HydrophobicContact CG2-CD2 4.49Å
763	A	98.3	Very high	96.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.3	168.4	0	0	0	0	0	110	R725 F733 Y822 H823 L825	R725-A763 CarbonylContact O-C 3.57Å; R725-A763 WeakPolarHBondContact O-CA 3.14Å; F733-A763 HydrophobicContact CD1-CB 4.33Å; F733-A763 HydrophobicContact CE1-CB 3.65Å; F733-A763 HydrophobicContact CZ-CB 3.88Å; A763-Y822 WeakPolarHBondContact O-CA 3.23Å; A763-H823 HydrophobicContact CB-CB 4.48Å; A763-H823 PolarHBondContact N-O 3.46Å; A763-H823 PolarHBondContact O-N 3.29Å; A763-L825 HydrophobicContact CB-CD1 3.99Å; A763-L825 HydrophobicContact CB-CG 4.13Å
764	V	98.2	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.6	177.8	-172.6	0	0	0	0	109.2	Y724 R725 D726 G727 Y822 I856	Y724-V764 HydrophobicContact CD1-CG2 3.54Å; Y724-V764 HydrophobicContact CG-CG2 4.17Å; R725-V764 PolarHBondContact O-N 3.12Å; D726-V764 WeakPolarHBondContact CA-O 3.5Å; G727-V764 PolarHBondContact N-O 2.97Å; V764-Y822 HydrophobicContact CB-CE1 4.43Å; V764-Y822 HydrophobicContact CG1-CD1 4.28Å; V764-Y822 HydrophobicContact CG1-CE1 3.81Å; V764-Y822 HydrophobicContact CG2-CD1 3.85Å; V764-Y822 HydrophobicContact CG2-CE1 3.85Å; V764-I856 HydrophobicContact CG1-CB 4.36Å; V764-I856 HydrophobicContact CG1-CG2 3.77Å
765	Q	95.3	Very high	96.5	Very high	21 Å²	21	28.2 Å²	28.2	10%	0.098	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	105.3	178.6	-69.5	174.6	-24.1	0	0	109.9	V728 F733 H768 H821	V728-Q765 WeakPolarHBondContact O-CG 3.32Å; V728-Q765 PolarHBondContact O-NE2 3.26Å; F733-Q765 VanDerWaalsContact CZ-NE2 3.26Å; Q765-H768 PolarHBondContact O-CD2 3Å; Q765-H821 HydrophobicContact CB-CB 4.18Å; Q765-H821 PolarHBondContact N-O 2.94Å; Q765-H821 PolarHBondContact O-N 3.5Å; Q765-H821 PolarHBondContact OE1-ND1 3.45Å
766	K	90.3	Very high	96.4	Very high	71 Å²	71	30 Å²	30	31%	0.309	14%	0.143	S	C	.	.			trans	-86.5	-24	170.6	-176.7	174.9	174.5	174.9	0	113	H768 S855 I856	K766-H768 PolarHBondContact O-N 3.32Å; K766-S855 WeakPolarHBondContact CE-OG 3.26Å; K766-S855 PolarHBondContact NZ-OG 3.47Å; K766-I856 HydrophobicContact CB-CG2 4.26Å; K766-I856 HydrophobicContact CD-CG2 4.31Å
767	R	88	Confident	96.3	Very high	152 Å²	152	30.9 Å²	30.9	57%	0.574	15%	0.145	S	C	*	.	S	Bend	trans	-100.1	78.3	-173.6	-61.9	-175.3	-168.9	170	8.7	111.3
768	H	91.2	Very high	96.1	Very high	19 Å²	19	38.1 Å²	38.1	9%	0.088	18%	0.175	C	C	.	.	S	Bend	trans	-138.8	179.9	174	60.3	90.9	0	0	0	110.8	Q765 K766 T770 R771 F806 R818 P819	Q765-H768 PolarHBondContact O-CD2 3Å; K766-H768 PolarHBondContact O-N 3.32Å; H768-T770 VanDerWaalsContact ND1-CB 3.34Å; H768-T770 WeakPolarHBondContact ND1-CB 3.34Å; H768-T770 PolarHBondContact ND1-N 2.94Å; H768-T770 PolarHBondContact ND1-OG1 3.46Å; H768-R771 PolarHBondContact O-NH1 3.45Å; H768-R771 PolarHBondContact O-NH2 3.06Å; H768-R771 VanDerWaalsContact O-NH2 3.07Å; H768-F806 AromaticContact CE1-CE1 3.85Å; H768-F806 AromaticContact ND1-CE1 3.95Å; H768-R818 PolarHBondContact O-NH1 3.21Å; H768-P819 PolarHBondContact CE1-O 2.7Å; H768-P819 PolarHBondContact NE2-O 2.83Å
769	H	93.8	Very high	96.1	Very high	54 Å²	54	37.7 Å²	37.7	25%	0.25	17%	0.169	C	C	.	.			trans	-107.1	0.1	-172.4	-67.6	-85.7	0	0	0	114.3	N98 H259 N272 D274 R771	N98-H769 PolarHBondContact ND2-O 3.35Å; N98-H769 PolarHBondContact OD1-O 3.35Å; H259-H769 HydrophobicContact CB-CB 4.49Å; H259-H769 WeakPolarHBondContact CB-ND1 3.39Å; H259-H769 WeakPolarHBondContact CD2-CB 3.43Å; H259-H769 AromaticContact CD2-CD2 3.55Å; H259-H769 AromaticContact CD2-CG 3.21Å; H259-H769 AromaticContact CD2-ND1 3.71Å; H259-H769 AromaticContact CE1-CD2 3.29Å; H259-H769 PolarHBondContact CE1-CD2 3.13Å; H259-H769 AromaticContact CE1-CG 3.81Å; H259-H769 AromaticContact CE1-NE2 3.69Å; H259-H769 AromaticContact CG-CD2 3.47Å; H259-H769 VanDerWaalsContact CG-CD2 3.47Å; H259-H769 AromaticContact CG-CE1 3.5Å; H259-H769 VanDerWaalsContact CG-CE1 3.5Å; H259-H769 AromaticContact CG-CG 3.28Å; H259-H769 AromaticContact CG-ND1 3.32Å; H259-H769 VanDerWaalsContact CG-ND1 3.32Å; H259-H769 AromaticContact CG-NE2 3.64Å; H259-H769 AromaticContact ND1-CD2 3.35Å; H259-H769 PolarHBondContact ND1-CD2 2.83Å; H259-H769 AromaticContact ND1-CE1 3.59Å; H259-H769 AromaticContact ND1-CG 3.7Å; H259-H769 AromaticContact ND1-ND1 3.86Å; H259-H769 AromaticContact ND1-NE2 3.32Å; H259-H769 PolarHBondContact ND1-NE2 3.41Å; H259-H769 AromaticContact NE2-CD2 3.43Å; H259-H769 PolarHBondContact NE2-CD2 2.84Å; H259-H769 AromaticContact NE2-CG 3.55Å; N272-H769 PolarHBondContact ND2-O 2.85Å; N272-H769 WeakPolarHBondContact OD1-CB 3.19Å; D274-H769 HydrophobicContact CB-CB 4.04Å; D274-H769 IonicContact OD2-ND1 3.82Å; H769-R771 PolarHBondContact O-N 3.32Å
770	T	96.1	Very high	95.9	Very high	2 Å²	2	40 Å²	40	1%	0.012	18%	0.18	C	C	.	.			trans	-64.2	126.9	168	-46.4	0	0	0	0	111.4	N98 H99 H768 I797 F806	N98-T770 WeakPolarHBondContact OD1-CA 3.4Å; H99-T770 PolarHBondContact CE1-OG1 3.29Å; H768-T770 VanDerWaalsContact ND1-CB 3.34Å; H768-T770 WeakPolarHBondContact ND1-CB 3.34Å; H768-T770 PolarHBondContact ND1-N 2.94Å; H768-T770 PolarHBondContact ND1-OG1 3.46Å; T770-I797 HydrophobicContact CG2-CD1 3.91Å; T770-F806 HydrophobicContact CG2-CD1 4.19Å; T770-F806 HydrophobicContact CG2-CE1 3.8Å; T770-F806 HydrophobicContact CG2-CE2 4.4Å; T770-F806 HydrophobicContact CG2-CZ 3.93Å
771	R	97.6	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.185	C	C	.	.			trans	-125.8	145.8	170.5	-57.7	-61	171.1	-101.9	-13.7	108.7	A97 N98 D274 H768 H769 F773 R818	A97-R771 WeakPolarHBondContact CA-O 3.33Å; N98-R771 HydrophobicContact CB-CB 4.48Å; N98-R771 PolarHBondContact N-O 3.28Å; N98-R771 PolarHBondContact OD1-N 3.08Å; N98-R771 PolarHBondContact OD1-O 3.36Å; D274-R771 IonicContact OD2-CZ 3.59Å; D274-R771 IonicContact OD2-NE 3.46Å; D274-R771 PolarHBondContact OD2-NE 3.22Å; D274-R771 IonicContact OD2-NH2 2.91Å; D274-R771 PolarHBondContact OD2-NH2 3.42Å; H768-R771 PolarHBondContact O-NH1 3.45Å; H768-R771 PolarHBondContact O-NH2 3.06Å; H768-R771 VanDerWaalsContact O-NH2 3.07Å; H769-R771 PolarHBondContact O-N 3.32Å; R771-F773 HydrophobicContact CB-CE1 4.41Å; R771-F773 HydrophobicContact CB-CE2 3.88Å; R771-F773 HydrophobicContact CB-CZ 3.66Å; R771-F773 HydrophobicContact CG-CZ 4.46Å; R771-R818 VanDerWaalsContact NH2-NH1 3.13Å
772	L	98.4	Very high	95.3	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.7	-179.4	-65.5	174.5	0	0	0	108.1	L95 R96 A97 V465 I787 V793 I797 P819	L95-L772 HydrophobicContact CD1-CD1 4.34Å; L95-L772 HydrophobicContact CD1-CD2 4.49Å; R96-L772 WeakPolarHBondContact O-CA 3.4Å; A97-L772 HydrophobicContact CB-CD2 3.94Å; V465-L772 HydrophobicContact CG2-CD2 4.2Å; L772-I787 HydrophobicContact CB-CD1 3.8Å; L772-I787 HydrophobicContact CB-CG2 4.49Å; L772-I787 HydrophobicContact CD1-CD1 4.22Å; L772-V793 HydrophobicContact CD1-CG2 3.75Å; L772-V793 HydrophobicContact CD2-CG2 4.31Å; L772-I797 HydrophobicContact CD2-CD1 4.01Å; L772-P819 HydrophobicContact CD1-CB 3.97Å; L772-P819 HydrophobicContact CD1-CG 3.87Å; L772-P819 HydrophobicContact CG-CG 4.05Å
773	F	98.4	Very high	94.9	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.5	-178.4	-52.4	-76.6	0	0	0	109.1	L95 R96 N98 A429 R432 E433 I436 M462 R771 T816	L95-F773 CarbonylContact C-O 3.57Å; L95-F773 WeakPolarHBondContact CA-O 3.33Å; R96-F773 HydrophobicContact CB-CB 4.49Å; R96-F773 PolarHBondContact N-O 3.25Å; R96-F773 WeakPolarHBondContact O-CD2 3.16Å; R96-F773 PolarHBondContact O-N 3.33Å; N98-F773 HydrophobicContact CB-CE2 4.3Å; A429-F773 HydrophobicContact CB-CD1 4.05Å; A429-F773 HydrophobicContact CB-CE1 4.36Å; A429-F773 WeakPolarHBondContact O-CD1 3.45Å; A429-F773 WeakPolarHBondContact O-CE1 3.38Å; R432-F773 HydrophobicContact CB-CE1 4.41Å; E433-F773 HydrophobicContact CB-CD1 3.79Å; E433-F773 HydrophobicContact CB-CD2 4.11Å; E433-F773 HydrophobicContact CB-CE1 3.84Å; E433-F773 HydrophobicContact CB-CE2 4.16Å; E433-F773 HydrophobicContact CB-CG 3.93Å; E433-F773 HydrophobicContact CB-CZ 4.04Å; E433-F773 HydrophobicContact CG-CB 4.49Å; E433-F773 HydrophobicContact CG-CD1 4.42Å; E433-F773 HydrophobicContact CG-CD2 3.98Å; E433-F773 HydrophobicContact CG-CE2 4.31Å; E433-F773 HydrophobicContact CG-CG 4.05Å; E433-F773 WeakPolarHBondContact OE1-CB 3.43Å; I436-F773 HydrophobicContact CD1-CE2 4.35Å; I436-F773 HydrophobicContact CD1-CZ 4.02Å; M462-F773 HydrophobicContact CE-CD2 4.46Å; M462-F773 HydrophobicContact CE-CE2 3.96Å; M462-F773 HydrophobicContact SD-CD2 3.87Å; M462-F773 HydrophobicContact SD-CE2 3.91Å; R771-F773 HydrophobicContact CB-CE1 4.41Å; R771-F773 HydrophobicContact CB-CE2 3.88Å; R771-F773 HydrophobicContact CB-CZ 3.66Å; R771-F773 HydrophobicContact CG-CZ 4.46Å; F773-T816 HydrophobicContact CD1-CG2 4.43Å; F773-T816 HydrophobicContact CE1-CG2 3.72Å; F773-T816 HydrophobicContact CZ-CG2 4.42Å
774	A	97.9	Very high	94.7	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.9	174.1	0	0	0	0	0	110	D779 Q780 I787	A774-D779 HydrophobicContact CB-CB 3.86Å; A774-Q780 HydrophobicContact CB-CG 3.97Å; A774-I787 HydrophobicContact CB-CG2 4.27Å
775	V	97.2	Very high	94.6	Very high	46 Å²	46	57.5 Å²	57.5	28%	0.279	27%	0.272	S	S	.	.	S	Bend	trans	-70.9	-48.6	172.4	174.7	0	0	0	0	109.9	V94 R96	V94-V775 HydrophobicContact CB-CB 4.25Å; V94-V775 HydrophobicContact CB-CG2 4.31Å; V94-V775 HydrophobicContact CG1-CB 4.22Å; V94-V775 HydrophobicContact CG1-CG2 3.84Å; V94-V775 PolarHBondContact O-N 3.47Å; V94-V775 VanDerWaalsContact O-N 3.12Å; R96-V775 HydrophobicContact CG-CG2 3.83Å
776	D	96.2	Very high	94.7	Very high	66 Å²	66	56.6 Å²	56.6	35%	0.353	27%	0.268	S	S	.	.	S	Bend	trans	-83.9	137.2	-179.7	-69.2	-26.6	0	0	0	112.2	K778 D779	D776-K778 HydrophobicContact CB-CD 4.37Å; D776-K778 HydrophobicContact CB-CG 3.98Å; D776-K778 PolarHBondContact O-N 3.32Å; D776-K778 VanDerWaalsContact OD2-CE 3.25Å; D776-K778 WeakPolarHBondContact OD2-CE 3.49Å; D776-K778 IonicContact OD2-NZ 3.2Å; D776-K778 PolarHBondContact OD2-NZ 3.48Å; D776-D779 PolarHBondContact O-N 3.01Å; D776-D779 VanDerWaalsContact O-N 3.16Å
777	K	94.4	Very high	95.1	Very high	178 Å²	178	53.3 Å²	53.3	77%	0.774	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.9	-31.2	175.4	-70.1	-177.4	-179.9	176.2	0	113.2	D779 Q780	K777-D779 PolarHBondContact O-N 3.5Å; K777-Q780 WeakPolarHBondContact O-CB 3.35Å; K777-Q780 PolarHBondContact O-N 2.94Å; K777-Q780 VanDerWaalsContact O-N 3.09Å
778	K	94.9	Very high	95.6	Very high	166 Å²	166	46.4 Å²	46.4	72%	0.722	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-62	-24	178.8	75.5	-168.4	175.4	-165.6	0	113	D776	D776-K778 HydrophobicContact CB-CD 4.37Å; D776-K778 HydrophobicContact CB-CG 3.98Å; D776-K778 PolarHBondContact O-N 3.32Å; D776-K778 VanDerWaalsContact OD2-CE 3.25Å; D776-K778 WeakPolarHBondContact OD2-CE 3.49Å; D776-K778 IonicContact OD2-NZ 3.2Å; D776-K778 PolarHBondContact OD2-NZ 3.48Å
779	D	96.3	Very high	95.9	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.027	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-95.1	0.1	-179.5	-71.8	-51.8	0	0	0	112.8	R91 I93 A774 D776 K777 P788	R91-D779 IonicContact CZ-OD1 3.12Å; R91-D779 IonicContact NH1-OD1 3.85Å; R91-D779 PolarHBondContact NH1-OD1 3.48Å; R91-D779 IonicContact NH1-OD2 3.42Å; R91-D779 IonicContact NH2-OD1 3.4Å; R91-D779 PolarHBondContact NH2-OD1 3.46Å; I93-D779 HydrophobicContact CD1-CB 3.62Å; I93-D779 HydrophobicContact CG1-CB 4.23Å; A774-D779 HydrophobicContact CB-CB 3.86Å; D776-D779 PolarHBondContact O-N 3.01Å; D776-D779 VanDerWaalsContact O-N 3.16Å; K777-D779 PolarHBondContact O-N 3.5Å; D779-P788 WeakPolarHBondContact O-CD 3.44Å
780	Q	95.9	Very high	96.1	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	22%	0.215	C	C	.	.			trans	-83.7	118.7	175.2	-66.1	177.9	1.9	0	0	110.3	A774 K777 F785	A774-Q780 HydrophobicContact CB-CG 3.97Å; K777-Q780 WeakPolarHBondContact O-CB 3.35Å; K777-Q780 PolarHBondContact O-N 2.94Å; K777-Q780 VanDerWaalsContact O-N 3.09Å; Q780-F785 HydrophobicContact CB-CB 3.96Å; Q780-F785 HydrophobicContact CB-CD1 4.2Å; Q780-F785 HydrophobicContact CG-CB 4.37Å
781	V	94	Very high	96.2	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.103	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-111.6	136.5	-172.1	178.8	0	0	0	0	112.1	Q489 F785 N786 P788	Q489-V781 HydrophobicContact CB-CG1 4.09Å; Q489-V781 VanDerWaalsContact CD-CG1 3.45Å; Q489-V781 HydrophobicContact CG-CG1 3.98Å; V781-F785 PolarHBondContact O-N 2.82Å; V781-N786 PolarHBondContact N-O 2.7Å; V781-N786 PolarHBondContact O-N 3.27Å; V781-N786 VanDerWaalsContact O-N 3.09Å; V781-P788 HydrophobicContact CG2-CB 3.86Å
782	G	90.9	Very high	96.3	Very high	46 Å²	46	43.2 Å²	43.2	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-179.5	174.1	0	0	0	0	0	114	A784 F785	G782-A784 PolarHBondContact O-N 3.26Å; G782-A784 VanDerWaalsContact O-N 3.16Å; G782-F785 PolarHBondContact O-N 2.89Å
783	K	90.2	Very high	96.3	Very high	197 Å²	197	43 Å²	43	86%	0.857	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.3	-176.8	-68.4	-170.6	176.4	-172.8	0	114.1	F785	K783-F785 WeakPolarHBondContact O-CD2 3.21Å; K783-F785 WeakPolarHBondContact O-CE2 3.43Å
784	A	93.2	Very high	96.3	Very high	7 Å²	7	43 Å²	43	6%	0.058	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	3.5	179.5	0	0	0	0	0	113.3	A429 G782 N786 G815	A429-A784 PolarHBondContact N-O 3.04Å; G782-A784 PolarHBondContact O-N 3.26Å; G782-A784 VanDerWaalsContact O-N 3.16Å; A784-N786 VanDerWaalsContact C-N 3.28Å; A784-N786 WeakPolarHBondContact CB-ND2 3.44Å; A784-N786 PolarHBondContact O-N 3.28Å; A784-G815 WeakPolarHBondContact CB-O 3.42Å
785	F	96.5	Very high	96.1	Very high	101 Å²	101	44.2 Å²	44.2	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	39.7	173.8	-55.4	-79	0	0	0	113.5	P430 Q780 V781 G782 K783	P430-F785 HydrophobicContact CG-CB 3.7Å; P430-F785 HydrophobicContact CG-CG 4.36Å; Q780-F785 HydrophobicContact CB-CB 3.96Å; Q780-F785 HydrophobicContact CB-CD1 4.2Å; Q780-F785 HydrophobicContact CG-CB 4.37Å; V781-F785 PolarHBondContact O-N 2.82Å; G782-F785 PolarHBondContact O-N 2.89Å; K783-F785 WeakPolarHBondContact O-CD2 3.21Å; K783-F785 WeakPolarHBondContact O-CE2 3.43Å
786	N	97.9	Very high	95.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-79	167.4	-179.3	-80.3	-72.8	0	0	0	111.8	V781 A784 G812 G815 T816 S817	V781-N786 PolarHBondContact N-O 2.7Å; V781-N786 PolarHBondContact O-N 3.27Å; V781-N786 VanDerWaalsContact O-N 3.09Å; A784-N786 VanDerWaalsContact C-N 3.28Å; A784-N786 WeakPolarHBondContact CB-ND2 3.44Å; A784-N786 PolarHBondContact O-N 3.28Å; N786-G812 PolarHBondContact ND2-O 3.07Å; N786-G815 PolarHBondContact ND2-O 2.92Å; N786-T816 WeakPolarHBondContact OD1-CA 3.45Å; N786-S817 PolarHBondContact OD1-N 2.87Å; N786-S817 PolarHBondContact OD1-OG 3.29Å
787	I	98.2	Very high	95.8	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-57.8	150.8	165.4	56.3	169.9	0	0	0	111.6	L95 L772 A774 T791 C808	L95-I787 HydrophobicContact CD2-CG2 3.66Å; L772-I787 HydrophobicContact CB-CD1 3.8Å; L772-I787 HydrophobicContact CB-CG2 4.49Å; L772-I787 HydrophobicContact CD1-CD1 4.22Å; A774-I787 HydrophobicContact CB-CG2 4.27Å; I787-T791 HydrophobicContact CB-CG2 4.36Å; I787-T791 HydrophobicContact CD1-CG2 3.82Å; I787-C808 HydrophobicContact CD1-CB 3.44Å; I787-C808 VanDerWaalsContact CD1-CB 3.44Å; I787-C808 HydrophobicContact CG1-CB 4.18Å
788	P	98	Very high	95.8	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.052	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-69.3	149.7	-178.7	27.8	-32.8	0	0	0	111.4	I93 V469 D779 V781 T791	I93-P788 HydrophobicContact CD1-CG 3.99Å; V469-P788 HydrophobicContact CB-CG 4.47Å; V469-P788 HydrophobicContact CG1-CB 4.21Å; V469-P788 HydrophobicContact CG1-CG 3.99Å; V469-P788 HydrophobicContact CG2-CG 3.6Å; D779-P788 WeakPolarHBondContact O-CD 3.44Å; V781-P788 HydrophobicContact CG2-CB 3.86Å; P788-T791 VanDerWaalsContact CD-OG1 3.28Å; P788-T791 WeakPolarHBondContact CD-OG1 3.46Å; P788-T791 WeakPolarHBondContact CG-OG1 3.33Å; P788-T791 WeakPolarHBondContact O-CB 3.45Å; P788-T791 PolarHBondContact O-N 2.89Å; P788-T791 PolarHBondContact O-OG1 3.01Å
789	P	98.1	Very high	95.8	Very high	7 Å²	7	25.1 Å²	25.1	5%	0.045	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	139.5	170.7	-26	39	0	0	0	111.1	V469 C808 A811 Y841	V469-P789 WeakPolarHBondContact CG1-O 3.5Å; P789-C808 CarbonylContact C-O 3.57Å; P789-C808 WeakPolarHBondContact CA-O 3.38Å; P789-A811 HydrophobicContact CG-CB 3.96Å; P789-Y841 PolarHBondContact O-OH 2.84Å
790	G	98.3	Very high	95.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-4.5	-174.4	0	0	0	0	0	113.7	L470 T792 C808 Y841	L470-G790 PolarHBondContact N-O 3.28Å; G790-T792 PolarHBondContact O-N 3.2Å; G790-T792 PolarHBondContact O-OG1 3.02Å; G790-C808 PolarHBondContact N-O 2.85Å; G790-Y841 VanDerWaalsContact CA-CZ 3.4Å; G790-Y841 PolarHBondContact N-OH 2.98Å
791	T	98.8	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	120.2	173.3	-61.2	0	0	0	0	110.3	I93 L95 R468 I787 P788 C808	I93-T791 HydrophobicContact CG2-CG2 4.38Å; L95-T791 HydrophobicContact CD1-CG2 3.52Å; L95-T791 HydrophobicContact CD2-CG2 4.26Å; L95-T791 HydrophobicContact CG-CG2 4.49Å; R468-T791 CarbonylContact O-C 3.48Å; R468-T791 VanDerWaalsContact O-CA 3.3Å; R468-T791 WeakPolarHBondContact O-CA 3.29Å; I787-T791 HydrophobicContact CB-CG2 4.36Å; I787-T791 HydrophobicContact CD1-CG2 3.82Å; P788-T791 VanDerWaalsContact CD-OG1 3.28Å; P788-T791 WeakPolarHBondContact CD-OG1 3.46Å; P788-T791 WeakPolarHBondContact CG-OG1 3.33Å; P788-T791 WeakPolarHBondContact O-CB 3.45Å; P788-T791 PolarHBondContact O-N 2.89Å; P788-T791 PolarHBondContact O-OG1 3.01Å; T791-C808 PolarHBondContact O-N 3.07Å
792	T	98.8	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	136.3	-173.8	-55.7	0	0	0	0	109.6	G467 R468 L470 G790 F805 F806 L807 Q837	G467-T792 CarbonylContact C-O 3.51Å; G467-T792 VanDerWaalsContact CA-O 3.22Å; G467-T792 WeakPolarHBondContact CA-O 3.47Å; R468-T792 PolarHBondContact N-O 2.96Å; R468-T792 PolarHBondContact O-N 3.26Å; L470-T792 WeakPolarHBondContact CD1-OG1 3.23Å; L470-T792 WeakPolarHBondContact CG-OG1 3.42Å; G790-T792 PolarHBondContact O-N 3.2Å; G790-T792 PolarHBondContact O-OG1 3.02Å; T792-F805 HydrophobicContact CG2-CD2 4.46Å; T792-F806 CarbonylContact C-O 3.6Å; T792-F806 WeakPolarHBondContact CA-O 3.33Å; T792-L807 VanDerWaalsContact OG1-CD1 3.3Å; T792-L807 WeakPolarHBondContact OG1-CD1 3.32Å; T792-Q837 HydrophobicContact CG2-CB 4.48Å; T792-Q837 HydrophobicContact CG2-CG 4.13Å
793	V	98.4	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	112.5	177.6	179.8	0	0	0	0	108.5	L95 V465 L772 V795 I797 F805 F806	L95-V793 HydrophobicContact CD1-CG2 3.55Å; V465-V793 HydrophobicContact CB-CG1 4.44Å; V465-V793 HydrophobicContact CG2-CG1 4.21Å; V465-V793 HydrophobicContact CG2-CG2 4.35Å; L772-V793 HydrophobicContact CD1-CG2 3.75Å; L772-V793 HydrophobicContact CD2-CG2 4.31Å; V793-V795 WeakPolarHBondContact CG1-O 3.34Å; V793-I797 HydrophobicContact CG1-CD1 4.18Å; V793-I797 HydrophobicContact CG1-CG1 3.88Å; V793-F805 WeakPolarHBondContact O-CA 3.49Å; V793-F806 HydrophobicContact CB-CB 4.36Å; V793-F806 PolarHBondContact N-O 3.02Å; V793-F806 PolarHBondContact O-N 3.39Å
794	D	97.5	Very high	96.1	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.016	8%	0.077	C	C	.	.			trans	-119.7	8.2	175.8	59.8	-24.6	0	0	0	113.3	R83 G87 Q266 R468 T798 F805 Q837	R83-D794 PolarHBondContact NH1-O 2.9Å; G87-D794 PolarHBondContact N-OD2 3.37Å; Q266-D794 PolarHBondContact NE2-O 3Å; R468-D794 IonicContact CZ-OD1 3.56Å; R468-D794 IonicContact NE-OD1 3.51Å; R468-D794 IonicContact NH2-OD1 3.57Å; R468-D794 PolarHBondContact NH2-OD1 3.42Å; R468-D794 IonicContact NH2-OD2 2.78Å; R468-D794 PolarHBondContact NH2-OD2 3.48Å; D794-T798 VanDerWaalsContact C-OG1 3.23Å; D794-T798 PolarHBondContact O-OG1 3.47Å; D794-F805 HydrophobicContact CB-CB 3.81Å; D794-Q837 PolarHBondContact OD2-NE2 3.32Å
795	V	93.9	Very high	96.4	Very high	28 Å²	28	13.9 Å²	13.9	17%	0.17	7%	0.074	C	C	.	.	S	Bend	trans	-130.1	151.4	-179.9	-64.5	0	0	0	0	113.2	Q86 Q266 K466 V793 I797 T798	Q86-V795 HydrophobicContact CG-CG1 4Å; Q266-V795 VanDerWaalsContact OE1-CA 3.3Å; K466-V795 WeakPolarHBondContact O-CG2 3.49Å; V793-V795 WeakPolarHBondContact CG1-O 3.34Å; V795-I797 VanDerWaalsContact C-N 3.32Å; V795-I797 PolarHBondContact O-N 2.86Å; V795-T798 PolarHBondContact N-OG1 2.75Å
796	G	92.2	Very high	96.5	Very high	18 Å²	18	9.2 Å²	9.2	19%	0.186	5%	0.054	C	C	.	.	S	Bend	trans	83.4	-53.8	170	0	0	0	0	0	115.3	S265	S265-G796 VanDerWaalsContact CB-O 3.27Å; S265-G796 WeakPolarHBondContact CB-O 3.46Å; S265-G796 PolarHBondContact OG-O 2.92Å
797	I	95.4	Very high	96.5	Very high	7 Å²	7	9.1 Å²	9.1	4%	0.036	5%	0.053	C	C	.	.	S	Bend	trans	-107.7	-0.5	-178.9	58.6	164.5	0	0	0	114.2	A97 H99 M270 V465 T770 L772 V793 V795 F806	A97-I797 HydrophobicContact CB-CD1 4Å; A97-I797 HydrophobicContact CB-CG2 4.1Å; H99-I797 HydrophobicContact CB-CG2 3.91Å; M270-I797 HydrophobicContact CE-CG2 3.84Å; V465-I797 HydrophobicContact CG1-CG1 4.35Å; V465-I797 HydrophobicContact CG1-CG2 3.73Å; T770-I797 HydrophobicContact CG2-CD1 3.91Å; L772-I797 HydrophobicContact CD2-CD1 4.01Å; V793-I797 HydrophobicContact CG1-CD1 4.18Å; V793-I797 HydrophobicContact CG1-CG1 3.88Å; V795-I797 VanDerWaalsContact C-N 3.32Å; V795-I797 PolarHBondContact O-N 2.86Å; I797-F806 HydrophobicContact CD1-CD2 4.12Å; I797-F806 HydrophobicContact CD1-CE2 4.04Å; I797-F806 HydrophobicContact CG1-CD2 4.43Å; I797-F806 HydrophobicContact CG1-CE2 4.26Å
798	T	95.6	Very high	96.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-84.4	167.3	177.2	42.4	0	0	0	0	112.1	S265 Q266 D794 V795 D804 F806	S265-T798 WeakPolarHBondContact CA-O 3.42Å; S265-T798 WeakPolarHBondContact CB-O 3.4Å; Q266-T798 PolarHBondContact N-O 3Å; Q266-T798 PolarHBondContact NE2-OG1 3.12Å; D794-T798 VanDerWaalsContact C-OG1 3.23Å; D794-T798 PolarHBondContact O-OG1 3.47Å; V795-T798 PolarHBondContact N-OG1 2.75Å; T798-D804 WeakPolarHBondContact CA-OD2 3.23Å; T798-D804 WeakPolarHBondContact CB-OD1 3.42Å; T798-D804 WeakPolarHBondContact CB-OD2 3.45Å; T798-F806 HydrophobicContact CG2-CD2 4.11Å; T798-F806 HydrophobicContact CG2-CE2 4.22Å
799	H	94	Very high	96.5	Very high	30 Å²	30	8.7 Å²	8.7	14%	0.139	5%	0.05	C	C	.	.			trans	-55.8	141	-179.8	-168.7	-81	0	0	0	111.6	R83 Q266 T801 E802 D804	R83-H799 PolarHBondContact NH2-O 2.83Å; Q266-H799 WeakPolarHBondContact CG-O 3.25Å; H799-T801 PolarHBondContact CE1-OG1 2.83Å; H799-T801 PolarHBondContact ND1-N 2.94Å; H799-T801 PolarHBondContact O-N 3.48Å; H799-E802 HydrophobicContact CB-CB 4.33Å; H799-E802 IonicContact CD2-OE2 3.86Å; H799-E802 VanDerWaalsContact CE1-CG 3.47Å; H799-E802 WeakPolarHBondContact CE1-CG 3.33Å; H799-E802 IonicContact CE1-OE2 3.13Å; H799-E802 IonicContact CG-OE2 3.59Å; H799-E802 WeakPolarHBondContact ND1-CB 3.46Å; H799-E802 PolarHBondContact ND1-N 2.65Å; H799-E802 IonicContact ND1-OE2 2.67Å; H799-E802 IonicContact NE2-OE2 2.87Å; H799-E802 PolarHBondContact NE2-OE2 2.98Å; H799-D804 VanDerWaalsContact CB-OD1 3.28Å; H799-D804 WeakPolarHBondContact CB-OD1 3.39Å; H799-D804 VanDerWaalsContact N-CG 3.26Å; H799-D804 PolarHBondContact N-OD1 2.88Å; H799-D804 PolarHBondContact N-OD2 3.45Å
800	P	92.3	Very high	96.5	Very high	17 Å²	17	9.9 Å²	9.9	11%	0.11	6%	0.055	C	C	.	.	S	Bend	trans	-61.3	-41.1	-173.2	20.6	-33.7	0	0	0	114.9	A201 V209 P264	A201-P800 WeakPolarHBondContact O-CB 3.46Å; V209-P800 HydrophobicContact CG2-CG 4.06Å; P264-P800 HydrophobicContact CB-CG 4.46Å
801	T	92	Very high	96.4	Very high	14 Å²	14	10.8 Å²	10.8	9%	0.086	6%	0.063	C	C	.	.	S	Bend	trans	-120.7	-43	-172.5	56.1	0	0	0	0	113.9	R82 R83 R207 H799	R82-T801 WeakPolarHBondContact CA-O 3.22Å; R83-T801 PolarHBondContact N-O 2.8Å; R207-T801 PolarHBondContact O-OG1 2.88Å; H799-T801 PolarHBondContact CE1-OG1 2.83Å; H799-T801 PolarHBondContact ND1-N 2.94Å; H799-T801 PolarHBondContact O-N 3.48Å
802	E	94.8	Very high	96.1	Very high	50 Å²	50	11.3 Å²	11.3	23%	0.234	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-65.6	162.5	178	-58.3	174.9	164.1	0	0	113.9	A80 R83 H799 D804 H823	A80-E802 HydrophobicContact CB-CG 4.21Å; R83-E802 PolarHBondContact NH2-O 2.81Å; H799-E802 HydrophobicContact CB-CB 4.33Å; H799-E802 IonicContact CD2-OE2 3.86Å; H799-E802 VanDerWaalsContact CE1-CG 3.47Å; H799-E802 WeakPolarHBondContact CE1-CG 3.33Å; H799-E802 IonicContact CE1-OE2 3.13Å; H799-E802 IonicContact CG-OE2 3.59Å; H799-E802 WeakPolarHBondContact ND1-CB 3.46Å; H799-E802 PolarHBondContact ND1-N 2.65Å; H799-E802 IonicContact ND1-OE2 2.67Å; H799-E802 IonicContact NE2-OE2 2.87Å; H799-E802 PolarHBondContact NE2-OE2 2.98Å; E802-D804 PolarHBondContact O-N 2.8Å; E802-H823 WeakPolarHBondContact CB-NE2 3.47Å; E802-H823 IonicContact OE2-CE1 2.76Å; E802-H823 PolarHBondContact OE2-CE1 3.48Å; E802-H823 IonicContact OE2-NE2 2.77Å; E802-H823 PolarHBondContact OE2-NE2 2.96Å
803	F	97	Very high	95.6	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.093	C	C	.	.			trans	-92.3	92.7	-176.2	-172.7	-172.6	0	0	0	111.9	P81 R83 P84 F805 V824 A833 L836	P81-F803 PolarHBondContact O-N 3.29Å; R83-F803 HydrophobicContact CB-CB 4.47Å; R83-F803 HydrophobicContact CG-CD2 4.32Å; P84-F803 VanDerWaalsContact CD-CD1 3.4Å; P84-F803 HydrophobicContact CG-CD1 3.95Å; P84-F803 HydrophobicContact CG-CE1 3.63Å; P84-F803 HydrophobicContact CG-CZ 3.95Å; F803-F805 HydrophobicContact CE2-CD1 4.29Å; F803-V824 HydrophobicContact CB-CB 4.05Å; F803-V824 HydrophobicContact CB-CG2 4.29Å; F803-V824 HydrophobicContact CD1-CB 3.89Å; F803-V824 HydrophobicContact CD1-CG1 4.19Å; F803-V824 HydrophobicContact CD1-CG2 3.63Å; F803-V824 HydrophobicContact CD2-CG2 4.31Å; F803-V824 HydrophobicContact CE1-CG2 3.97Å; F803-V824 HydrophobicContact CG-CB 4.07Å; F803-V824 HydrophobicContact CG-CG2 3.81Å; F803-V824 HydrophobicContact CZ-CG2 4.43Å; F803-V824 WeakPolarHBondContact O-CB 3.36Å; F803-V824 WeakPolarHBondContact O-CG2 3.49Å; F803-V824 PolarHBondContact O-N 3.49Å; F803-A833 HydrophobicContact CE2-CB 4.28Å; F803-A833 HydrophobicContact CZ-CB 4.42Å; F803-L836 HydrophobicContact CE1-CD2 3.94Å; F803-L836 HydrophobicContact CZ-CB 4.32Å; F803-L836 HydrophobicContact CZ-CD2 3.83Å
804	D	97.5	Very high	95.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.4	175.9	72.2	-39.6	0	0	0	113.4	R83 T798 H799 E802 H821 Y822 H823	R83-D804 IonicContact CZ-OD1 3.91Å; R83-D804 PolarHBondContact NH1-O 2.91Å; R83-D804 IonicContact NH1-OD1 2.68Å; R83-D804 IonicContact NH2-OD1 3.12Å; R83-D804 PolarHBondContact NH2-OD1 2.88Å; T798-D804 WeakPolarHBondContact CA-OD2 3.23Å; T798-D804 WeakPolarHBondContact CB-OD1 3.42Å; T798-D804 WeakPolarHBondContact CB-OD2 3.45Å; H799-D804 VanDerWaalsContact CB-OD1 3.28Å; H799-D804 WeakPolarHBondContact CB-OD1 3.39Å; H799-D804 VanDerWaalsContact N-CG 3.26Å; H799-D804 PolarHBondContact N-OD1 2.88Å; H799-D804 PolarHBondContact N-OD2 3.45Å; E802-D804 PolarHBondContact O-N 2.8Å; D804-H821 IonicContact OD2-NE2 3Å; D804-H821 PolarHBondContact OD2-NE2 3.27Å; D804-H821 VanDerWaalsContact OD2-NE2 3.17Å; D804-Y822 CarbonylContact C-O 3.56Å; D804-Y822 WeakPolarHBondContact CA-O 3.48Å; D804-Y822 WeakPolarHBondContact CB-O 3.29Å; D804-H823 HydrophobicContact CB-CB 4.26Å
805	F	98.5	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	155.5	175.3	59.7	-87.1	0	0	0	112	T792 V793 D794 F803 L807 Y822 L836 Q837	T792-F805 HydrophobicContact CG2-CD2 4.46Å; V793-F805 WeakPolarHBondContact O-CA 3.49Å; D794-F805 HydrophobicContact CB-CB 3.81Å; F803-F805 HydrophobicContact CE2-CD1 4.29Å; F805-L807 HydrophobicContact CD2-CB 4.29Å; F805-L807 HydrophobicContact CE2-CB 4.31Å; F805-Y822 AromaticContact CD2-CD2 3.95Å; F805-Y822 HydrophobicContact CD2-CD2 3.95Å; F805-Y822 HydrophobicContact CD2-CG 4.36Å; F805-Y822 AromaticContact CE2-CD2 3.55Å; F805-Y822 HydrophobicContact CE2-CD2 3.55Å; F805-Y822 HydrophobicContact CE2-CE2 4.37Å; F805-Y822 AromaticContact CE2-CG 3.72Å; F805-Y822 HydrophobicContact CE2-CG 3.72Å; F805-Y822 HydrophobicContact CZ-CD2 4.18Å; F805-Y822 AromaticContact CZ-CG 3.86Å; F805-Y822 HydrophobicContact CZ-CG 3.86Å; F805-Y822 PolarHBondContact N-O 2.77Å; F805-Y822 PolarHBondContact O-N 2.78Å; F805-L836 HydrophobicContact CE1-CD2 3.91Å; F805-L836 HydrophobicContact CE1-CG 4.1Å; F805-L836 HydrophobicContact CZ-CD2 4.45Å; F805-L836 HydrophobicContact CZ-CG 4.2Å; F805-Q837 HydrophobicContact CD1-CG 4.06Å; F805-Q837 HydrophobicContact CD2-CG 3.78Å; F805-Q837 HydrophobicContact CE1-CG 4.11Å; F805-Q837 HydrophobicContact CE2-CB 4.43Å; F805-Q837 HydrophobicContact CE2-CG 3.83Å; F805-Q837 HydrophobicContact CG-CG 3.9Å; F805-Q837 HydrophobicContact CZ-CG 3.99Å
806	F	98.6	Very high	94.9	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.013	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.9	168.7	-65.7	-87.4	0	0	0	109.8	H768 T770 T792 V793 I797 T798 P819 S820 H821	H768-F806 AromaticContact CE1-CE1 3.85Å; H768-F806 AromaticContact ND1-CE1 3.95Å; T770-F806 HydrophobicContact CG2-CD1 4.19Å; T770-F806 HydrophobicContact CG2-CE1 3.8Å; T770-F806 HydrophobicContact CG2-CE2 4.4Å; T770-F806 HydrophobicContact CG2-CZ 3.93Å; T792-F806 CarbonylContact C-O 3.6Å; T792-F806 WeakPolarHBondContact CA-O 3.33Å; V793-F806 HydrophobicContact CB-CB 4.36Å; V793-F806 PolarHBondContact N-O 3.02Å; V793-F806 PolarHBondContact O-N 3.39Å; I797-F806 HydrophobicContact CD1-CD2 4.12Å; I797-F806 HydrophobicContact CD1-CE2 4.04Å; I797-F806 HydrophobicContact CG1-CD2 4.43Å; I797-F806 HydrophobicContact CG1-CE2 4.26Å; T798-F806 HydrophobicContact CG2-CD2 4.11Å; T798-F806 HydrophobicContact CG2-CE2 4.22Å; F806-P819 HydrophobicContact CB-CB 4.39Å; F806-P819 HydrophobicContact CD1-CG 4.48Å; F806-S820 CarbonylContact C-O 3.57Å; F806-S820 WeakPolarHBondContact CA-O 3.49Å; F806-H821 HydrophobicContact CD1-CB 3.81Å; F806-H821 AromaticContact CD1-CD2 3.93Å; F806-H821 HydrophobicContact CE1-CB 3.59Å; F806-H821 AromaticContact CE1-CD2 3.56Å; F806-H821 AromaticContact CE1-CG 3.72Å; F806-H821 AromaticContact CE2-CD2 3.8Å; F806-H821 HydrophobicContact CZ-CB 4.36Å; F806-H821 AromaticContact CZ-CD2 3.48Å; F806-H821 VanDerWaalsContact CZ-CD2 3.48Å; F806-H821 WeakPolarHBondContact CZ-CD2 3.31Å; F806-H821 AromaticContact CZ-CG 3.99Å; F806-H821 AromaticContact CZ-NE2 3.99Å
807	L	98.8	Very high	95	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.3	171.9	164.3	68.2	0	0	0	110.1	L470 T792 F805 S809 S820 Y822 T840 Y841	L470-L807 HydrophobicContact CD1-CD1 4.33Å; T792-L807 VanDerWaalsContact OG1-CD1 3.3Å; T792-L807 WeakPolarHBondContact OG1-CD1 3.32Å; F805-L807 HydrophobicContact CD2-CB 4.29Å; F805-L807 HydrophobicContact CE2-CB 4.31Å; L807-S809 PolarHBondContact O-N 3.33Å; L807-S820 PolarHBondContact N-O 2.68Å; L807-S820 PolarHBondContact O-N 2.81Å; L807-S820 VanDerWaalsContact O-N 3.08Å; L807-Y822 HydrophobicContact CB-CD2 4.19Å; L807-Y822 HydrophobicContact CB-CE2 3.77Å; L807-Y822 HydrophobicContact CD2-CE2 4.32Å; L807-Y822 HydrophobicContact CG-CE2 4.44Å; L807-T840 HydrophobicContact CD2-CG2 3.82Å; L807-Y841 HydrophobicContact CD1-CD2 4.09Å; L807-Y841 HydrophobicContact CD1-CG 4.31Å; L807-Y841 HydrophobicContact CD2-CD2 4.32Å; L807-Y841 HydrophobicContact CD2-CG 4.47Å
808	C	98.6	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	79.7	169	-165.7	0	0	0	0	110	I787 P789 G790 T791 H810 P819	I787-C808 HydrophobicContact CD1-CB 3.44Å; I787-C808 VanDerWaalsContact CD1-CB 3.44Å; I787-C808 HydrophobicContact CG1-CB 4.18Å; P789-C808 CarbonylContact C-O 3.57Å; P789-C808 WeakPolarHBondContact CA-O 3.38Å; G790-C808 PolarHBondContact N-O 2.85Å; T791-C808 PolarHBondContact O-N 3.07Å; C808-H810 VanDerWaalsContact C-N 3.29Å; C808-H810 PolarHBondContact O-N 3.26Å; C808-P819 HydrophobicContact CB-CB 3.91Å
809	S	98.5	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.			trans	-72.5	-13.5	-175	54.9	0	0	0	0	115.2	L807 Y841 C844 S853 V854 S855	L807-S809 PolarHBondContact O-N 3.33Å; S809-Y841 WeakPolarHBondContact O-CE2 3.33Å; S809-C844 WeakPolarHBondContact CB-SG 3.3Å; S809-C844 PolarHBondContact OG-SG 2.88Å; S809-S853 WeakPolarHBondContact O-CB 3.45Å; S809-S853 PolarHBondContact O-OG 3.1Å; S809-V854 WeakPolarHBondContact CB-O 3.09Å; S809-V854 PolarHBondContact OG-O 2.91Å; S809-S855 VanDerWaalsContact OG-C 3.27Å; S809-S855 WeakPolarHBondContact OG-CA 3.48Å; S809-S855 PolarHBondContact OG-O 2.91Å
810	H	97.6	Very high	95.4	Very high	32 Å²	32	25 Å²	25	15%	0.148	13%	0.13	C	C	.	.	S	Bend	trans	-118	155.5	-167.2	63.1	-70.4	0	0	0	112.8	C808 R818 S853 S855	C808-H810 VanDerWaalsContact C-N 3.29Å; C808-H810 PolarHBondContact O-N 3.26Å; H810-R818 PolarHBondContact CE1-O 3.4Å; H810-S853 WeakPolarHBondContact CB-O 3.34Å; H810-S855 WeakPolarHBondContact ND1-CB 3.17Å
811	A	95.7	Very high	95.7	Very high	20 Å²	20	24.3 Å²	24.3	17%	0.165	13%	0.125	C	C	.	.			trans	-74.3	125.6	172.9	0	0	0	0	0	111.5	Q489 P789 I813	Q489-A811 WeakPolarHBondContact O-CB 3.37Å; P789-A811 HydrophobicContact CG-CB 3.96Å; A811-I813 PolarHBondContact O-N 2.86Å
812	G	92.1	Very high	96	Very high	10 Å²	10	23.7 Å²	23.7	10%	0.103	12%	0.121	C	C	.	.			trans	-75.9	85.2	176.6	0	0	0	0	0	112.5	N786 S817	N786-G812 PolarHBondContact ND2-O 3.07Å; G812-S817 WeakPolarHBondContact CA-OG 3.42Å
813	I	89.4	Confident	96.2	Very high	102 Å²	102	21.5 Å²	21.5	52%	0.523	11%	0.111	S	C	.	.			trans	-66.8	-42.7	-177.3	-55.5	174.6	0	0	0	111.7	A811	A811-I813 PolarHBondContact O-N 2.86Å
814	Q	87.3	Confident	96.2	Very high	135 Å²	135	21.4 Å²	21.4	63%	0.631	11%	0.11	S	C	*	.	S	Bend	trans	-143.2	145.3	-175.7	-175.6	-178.5	3.1	0	0	109.2
815	G	92.2	Very high	96.2	Very high	15 Å²	15	21.5 Å²	21.5	16%	0.155	11%	0.11	C	C	.	.	S	Bend	trans	69.6	-161.3	178.4	0	0	0	0	0	112.2	R427 A784 N786	R427-G815 CarbonylContact O-C 3.57Å; R427-G815 WeakPolarHBondContact O-CA 3.43Å; A784-G815 WeakPolarHBondContact CB-O 3.42Å; N786-G815 PolarHBondContact ND2-O 2.92Å
816	T	94.6	Very high	96.2	Very high	16 Å²	16	23.9 Å²	23.9	10%	0.098	12%	0.12	C	C	.	.			trans	-94.9	129.8	170.8	-41.5	0	0	0	0	110.7	R427 A429 R432 F773 N786	R427-T816 PolarHBondContact O-N 2.84Å; R427-T816 PolarHBondContact O-OG1 3.02Å; A429-T816 HydrophobicContact CB-CG2 4.01Å; R432-T816 WeakPolarHBondContact CB-OG1 3.39Å; R432-T816 WeakPolarHBondContact CD-OG1 3.41Å; F773-T816 HydrophobicContact CD1-CG2 4.43Å; F773-T816 HydrophobicContact CE1-CG2 3.72Å; F773-T816 HydrophobicContact CZ-CG2 4.42Å; N786-T816 WeakPolarHBondContact OD1-CA 3.45Å
817	S	95.7	Very high	96.2	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.049	12%	0.124	C	C	.	.			trans	-58.5	150.1	176.6	-68	0	0	0	0	112.3	N786 G812	N786-S817 PolarHBondContact OD1-N 2.87Å; N786-S817 PolarHBondContact OD1-OG 3.29Å; G812-S817 WeakPolarHBondContact CA-OG 3.42Å
818	R	96.1	Very high	96.2	Very high	99 Å²	99	27.5 Å²	27.5	37%	0.374	14%	0.139	S	C	.	.			trans	-109	101	173.8	-65.7	-177.2	178.5	-111	-0.3	108.8	H768 R771 H810 S820	H768-R818 PolarHBondContact O-NH1 3.21Å; R771-R818 VanDerWaalsContact NH2-NH1 3.13Å; H810-R818 PolarHBondContact CE1-O 3.4Å; R818-S820 PolarHBondContact O-N 2.74Å
819	P	98	Very high	96.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.146	C	C	.	.			trans	-69	115.5	-179.9	28.3	-32.8	0	0	0	109	H768 L772 F806 C808 H821	H768-P819 PolarHBondContact CE1-O 2.7Å; H768-P819 PolarHBondContact NE2-O 2.83Å; L772-P819 HydrophobicContact CD1-CB 3.97Å; L772-P819 HydrophobicContact CD1-CG 3.87Å; L772-P819 HydrophobicContact CG-CG 4.05Å; F806-P819 HydrophobicContact CB-CB 4.39Å; F806-P819 HydrophobicContact CD1-CG 4.48Å; C808-P819 HydrophobicContact CB-CB 3.91Å; P819-H821 PolarHBondContact O-N 3.27Å
820	S	98.3	Very high	96	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.1	-177.4	-64.7	0	0	0	0	110.6	F806 L807 R818 Y822 S855 I856	F806-S820 CarbonylContact C-O 3.57Å; F806-S820 WeakPolarHBondContact CA-O 3.49Å; L807-S820 PolarHBondContact N-O 2.68Å; L807-S820 PolarHBondContact O-N 2.81Å; L807-S820 VanDerWaalsContact O-N 3.08Å; R818-S820 PolarHBondContact O-N 2.74Å; S820-Y822 WeakPolarHBondContact O-CD2 3.25Å; S820-Y822 WeakPolarHBondContact O-CE2 3.14Å; S820-S855 WeakPolarHBondContact CB-O 3.47Å; S820-S855 PolarHBondContact OG-O 3.46Å; S820-I856 WeakPolarHBondContact OG-CG2 3.39Å
821	H	98.2	Very high	95.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129.2	178.5	-178.4	-130	0	0	0	109.6	E730 Q765 D804 F806 P819	E730-H821 IonicContact OE1-CE1 3.04Å; Q765-H821 HydrophobicContact CB-CB 4.18Å; Q765-H821 PolarHBondContact N-O 2.94Å; Q765-H821 PolarHBondContact O-N 3.5Å; Q765-H821 PolarHBondContact OE1-ND1 3.45Å; D804-H821 IonicContact OD2-NE2 3Å; D804-H821 PolarHBondContact OD2-NE2 3.27Å; D804-H821 VanDerWaalsContact OD2-NE2 3.17Å; F806-H821 HydrophobicContact CD1-CB 3.81Å; F806-H821 AromaticContact CD1-CD2 3.93Å; F806-H821 HydrophobicContact CE1-CB 3.59Å; F806-H821 AromaticContact CE1-CD2 3.56Å; F806-H821 AromaticContact CE1-CG 3.72Å; F806-H821 AromaticContact CE2-CD2 3.8Å; F806-H821 HydrophobicContact CZ-CB 4.36Å; F806-H821 AromaticContact CZ-CD2 3.48Å; F806-H821 VanDerWaalsContact CZ-CD2 3.48Å; F806-H821 WeakPolarHBondContact CZ-CD2 3.31Å; F806-H821 AromaticContact CZ-CG 3.99Å; F806-H821 AromaticContact CZ-NE2 3.99Å; P819-H821 PolarHBondContact O-N 3.27Å
822	Y	98.7	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.4	-179.3	-60.5	-92.2	0	0	0	107.9	Y724 V762 A763 V764 D804 F805 L807 S820 T840 P857	Y724-Y822 HydrophobicContact CD1-CD1 4.3Å; Y724-Y822 HydrophobicContact CD1-CE1 4.36Å; Y724-Y822 HydrophobicContact CE1-CD1 4.06Å; Y724-Y822 HydrophobicContact CE1-CE1 4.18Å; V762-Y822 HydrophobicContact CG1-CD1 4.12Å; A763-Y822 WeakPolarHBondContact O-CA 3.23Å; V764-Y822 HydrophobicContact CB-CE1 4.43Å; V764-Y822 HydrophobicContact CG1-CD1 4.28Å; V764-Y822 HydrophobicContact CG1-CE1 3.81Å; V764-Y822 HydrophobicContact CG2-CD1 3.85Å; V764-Y822 HydrophobicContact CG2-CE1 3.85Å; D804-Y822 CarbonylContact C-O 3.56Å; D804-Y822 WeakPolarHBondContact CA-O 3.48Å; D804-Y822 WeakPolarHBondContact CB-O 3.29Å; F805-Y822 AromaticContact CD2-CD2 3.95Å; F805-Y822 HydrophobicContact CD2-CD2 3.95Å; F805-Y822 HydrophobicContact CD2-CG 4.36Å; F805-Y822 AromaticContact CE2-CD2 3.55Å; F805-Y822 HydrophobicContact CE2-CD2 3.55Å; F805-Y822 HydrophobicContact CE2-CE2 4.37Å; F805-Y822 AromaticContact CE2-CG 3.72Å; F805-Y822 HydrophobicContact CE2-CG 3.72Å; F805-Y822 HydrophobicContact CZ-CD2 4.18Å; F805-Y822 AromaticContact CZ-CG 3.86Å; F805-Y822 HydrophobicContact CZ-CG 3.86Å; F805-Y822 PolarHBondContact N-O 2.77Å; F805-Y822 PolarHBondContact O-N 2.78Å; L807-Y822 HydrophobicContact CB-CD2 4.19Å; L807-Y822 HydrophobicContact CB-CE2 3.77Å; L807-Y822 HydrophobicContact CD2-CE2 4.32Å; L807-Y822 HydrophobicContact CG-CE2 4.44Å; S820-Y822 WeakPolarHBondContact O-CD2 3.25Å; S820-Y822 WeakPolarHBondContact O-CE2 3.14Å; Y822-T840 HydrophobicContact CD1-CG2 3.75Å; Y822-T840 HydrophobicContact CD2-CG2 4.39Å; Y822-T840 HydrophobicContact CE1-CG2 3.28Å; Y822-T840 HydrophobicContact CE2-CG2 4.01Å; Y822-T840 HydrophobicContact CG-CG2 4.28Å; Y822-T840 VanDerWaalsContact CZ-CG2 3.42Å; Y822-P857 HydrophobicContact CE1-CG 3.99Å; Y822-P857 WeakPolarHBondContact OH-CD 3.48Å
823	H	98	Very high	96.3	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.023	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.4	178.8	-160.4	122.5	0	0	0	108.7	F733 A763 E802 D804 L825	F733-H823 HydrophobicContact CE2-CB 3.87Å; F733-H823 AromaticContact CE2-CG 3.72Å; F733-H823 AromaticContact CE2-ND1 3.8Å; F733-H823 HydrophobicContact CZ-CB 4.12Å; A763-H823 HydrophobicContact CB-CB 4.48Å; A763-H823 PolarHBondContact N-O 3.46Å; A763-H823 PolarHBondContact O-N 3.29Å; E802-H823 WeakPolarHBondContact CB-NE2 3.47Å; E802-H823 IonicContact OE2-CE1 2.76Å; E802-H823 PolarHBondContact OE2-CE1 3.48Å; E802-H823 IonicContact OE2-NE2 2.77Å; E802-H823 PolarHBondContact OE2-NE2 2.96Å; D804-H823 HydrophobicContact CB-CB 4.26Å; H823-L825 PolarHBondContact O-N 2.7Å
824	V	98.4	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.5	179.5	-172.6	0	0	0	0	108.4	P81 T760 F761 V762 F803 W826 D827 L836	P81-V824 WeakPolarHBondContact CD-O 3.26Å; P81-V824 HydrophobicContact CG-CB 4.34Å; P81-V824 HydrophobicContact CG-CG1 3.83Å; T760-V824 HydrophobicContact CG2-CG1 4.37Å; F761-V824 CarbonylContact O-C 3.6Å; V762-V824 HydrophobicContact CG2-CG2 4.38Å; F803-V824 HydrophobicContact CB-CB 4.05Å; F803-V824 HydrophobicContact CB-CG2 4.29Å; F803-V824 HydrophobicContact CD1-CB 3.89Å; F803-V824 HydrophobicContact CD1-CG1 4.19Å; F803-V824 HydrophobicContact CD1-CG2 3.63Å; F803-V824 HydrophobicContact CD2-CG2 4.31Å; F803-V824 HydrophobicContact CE1-CG2 3.97Å; F803-V824 HydrophobicContact CG-CB 4.07Å; F803-V824 HydrophobicContact CG-CG2 3.81Å; F803-V824 HydrophobicContact CZ-CG2 4.43Å; F803-V824 WeakPolarHBondContact O-CB 3.36Å; F803-V824 WeakPolarHBondContact O-CG2 3.49Å; F803-V824 PolarHBondContact O-N 3.49Å; V824-W826 WeakPolarHBondContact CG1-O 3.49Å; V824-D827 HydrophobicContact CG1-CB 3.94Å; V824-L836 HydrophobicContact CG2-CD2 3.35Å
825	L	97.7	Very high	97.1	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-21.8	-179.8	-57.3	-172.3	0	0	0	112.1	A80 F733 L737 F761 A763 H823	A80-L825 WeakPolarHBondContact CA-O 3.5Å; F733-L825 HydrophobicContact CB-CD1 4.19Å; F733-L825 HydrophobicContact CB-CD2 3.91Å; F733-L825 HydrophobicContact CD1-CD1 4.19Å; F733-L825 HydrophobicContact CD1-CD2 4.38Å; F733-L825 HydrophobicContact CD2-CD2 3.65Å; F733-L825 HydrophobicContact CE2-CD2 4.18Å; F733-L825 HydrophobicContact CG-CD1 4.2Å; F733-L825 HydrophobicContact CG-CD2 3.76Å; L737-L825 HydrophobicContact CB-CB 4.5Å; L737-L825 HydrophobicContact CB-CD1 4.43Å; L737-L825 HydrophobicContact CD1-CB 3.95Å; L737-L825 HydrophobicContact CD2-CB 4.23Å; L737-L825 WeakPolarHBondContact CD2-O 3.39Å; L737-L825 HydrophobicContact CG-CB 4.44Å; F761-L825 HydrophobicContact CD1-CB 3.99Å; F761-L825 HydrophobicContact CD1-CD1 3.96Å; F761-L825 HydrophobicContact CD1-CG 4.22Å; F761-L825 HydrophobicContact CE1-CD1 3.88Å; F761-L825 PolarHBondContact O-N 3.06Å; A763-L825 HydrophobicContact CB-CD1 3.99Å; A763-L825 HydrophobicContact CB-CG 4.13Å; H823-L825 PolarHBondContact O-N 2.7Å
826	W	98.4	Very high	97.4	Very high	51 Å²	51	26.2 Å²	26.2	19%	0.193	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	146.7	175.6	-166.5	-102.5	0	0	0	110.3	F78 L737 L741 T760 F761 V824 D828	F78-W826 HydrophobicContact CB-CE3 4.01Å; F78-W826 HydrophobicContact CB-CZ3 3.92Å; F78-W826 HydrophobicContact CD1-CE3 4.33Å; F78-W826 AromaticContact CD1-CH2 3.83Å; F78-W826 HydrophobicContact CD1-CH2 3.83Å; F78-W826 HydrophobicContact CD1-CZ2 4.28Å; F78-W826 AromaticContact CD1-CZ3 3.86Å; F78-W826 HydrophobicContact CD1-CZ3 3.86Å; F78-W826 HydrophobicContact CG-CZ3 4.35Å; L737-W826 HydrophobicContact CD1-CB 3.92Å; L741-W826 HydrophobicContact CD1-CG 4.24Å; L741-W826 HydrophobicContact CD2-CB 4.12Å; L741-W826 HydrophobicContact CD2-CD2 3.56Å; L741-W826 HydrophobicContact CD2-CE3 4.11Å; L741-W826 HydrophobicContact CD2-CG 3.53Å; T760-W826 CarbonylContact C-O 3.46Å; T760-W826 WeakPolarHBondContact CA-O 3.41Å; F761-W826 HydrophobicContact CB-CB 3.85Å; F761-W826 PolarHBondContact N-O 3.07Å; F761-W826 PolarHBondContact O-N 3.05Å; V824-W826 WeakPolarHBondContact CG1-O 3.49Å; W826-D828 PolarHBondContact NE1-OD1 2.99Å; W826-D828 PolarHBondContact NE1-OD2 2.67Å; W826-D828 VanDerWaalsContact NE1-OD2 3.12Å
827	D	98.2	Very high	97.6	Very high	21 Å²	21	25.4 Å²	25.4	11%	0.112	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	96.5	175.5	-170.1	24.4	0	0	0	112.6	P81 T760 V824 N829 N830 L831	P81-D827 HydrophobicContact CG-CB 4.31Å; T760-D827 WeakPolarHBondContact CB-OD1 3.45Å; T760-D827 HydrophobicContact CG2-CB 4.22Å; T760-D827 WeakPolarHBondContact CG2-OD1 3.42Å; T760-D827 PolarHBondContact OG1-OD1 3.41Å; V824-D827 HydrophobicContact CG1-CB 3.94Å; D827-N829 WeakPolarHBondContact OD1-CB 3.12Å; D827-N829 PolarHBondContact OD1-N 2.82Å; D827-N829 VanDerWaalsContact OD1-N 3.08Å; D827-N830 PolarHBondContact OD2-N 2.84Å; D827-L831 PolarHBondContact OD2-N 2.98Å
828	D	97.9	Very high	97.6	Very high	57 Å²	57	26.3 Å²	26.3	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.6	169.8	-61.9	-46.3	0	0	0	111.8	R745 I759 W826	R745-D828 IonicContact NH2-OD1 2.76Å; R745-D828 PolarHBondContact NH2-OD1 2.85Å; R745-D828 IonicContact NH2-OD2 3.38Å; R745-D828 PolarHBondContact NH2-OD2 2.96Å; I759-D828 PolarHBondContact N-OD2 2.84Å; I759-D828 VanDerWaalsContact N-OD2 3.07Å; I759-D828 PolarHBondContact O-N 2.83Å; W826-D828 PolarHBondContact NE1-OD1 2.99Å; W826-D828 PolarHBondContact NE1-OD2 2.67Å; W826-D828 VanDerWaalsContact NE1-OD2 3.12Å
829	N	97.4	Very high	97.7	Very high	28 Å²	28	21.7 Å²	21.7	15%	0.15	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.3	-174	-64.8	-59	0	0	0	113.7	R720 G758 T760 D827 L831	R720-N829 VanDerWaalsContact CD-OD1 3.27Å; R720-N829 WeakPolarHBondContact CD-OD1 3.19Å; R720-N829 VanDerWaalsContact CG-OD1 3.23Å; R720-N829 WeakPolarHBondContact CG-OD1 3.08Å; G758-N829 PolarHBondContact O-ND2 2.83Å; T760-N829 PolarHBondContact OG1-ND2 2.76Å; D827-N829 WeakPolarHBondContact OD1-CB 3.12Å; D827-N829 PolarHBondContact OD1-N 2.82Å; D827-N829 VanDerWaalsContact OD1-N 3.08Å; N829-L831 VanDerWaalsContact C-N 3.29Å; N829-L831 HydrophobicContact CB-CD2 4.31Å; N829-L831 HydrophobicContact CB-CG 4.08Å; N829-L831 PolarHBondContact O-N 2.92Å
830	N	96	Very high	97.7	Very high	141 Å²	141	21.6 Å²	21.6	75%	0.754	11%	0.111	S	C	*	.			trans	48.7	47.1	178.2	-60.8	-56.6	0	0	0	113.2	D827	D827-N830 PolarHBondContact OD2-N 2.84Å
831	L	96.8	Very high	97.7	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.037	11%	0.112	C	C	.	.			trans	-70	134.9	-177.5	-62.9	174.2	0	0	0	110.7	P84 I643 L722 T760 D827 N829 L836	P84-L831 WeakPolarHBondContact CG-O 3.09Å; I643-L831 HydrophobicContact CD1-CD1 4.08Å; I643-L831 HydrophobicContact CD1-CD2 3.74Å; I643-L831 HydrophobicContact CG1-CD2 4.29Å; L722-L831 HydrophobicContact CD1-CD1 3.93Å; T760-L831 HydrophobicContact CG2-CD1 4.12Å; D827-L831 PolarHBondContact OD2-N 2.98Å; N829-L831 VanDerWaalsContact C-N 3.29Å; N829-L831 HydrophobicContact CB-CD2 4.31Å; N829-L831 HydrophobicContact CB-CG 4.08Å; N829-L831 PolarHBondContact O-N 2.92Å; L831-L836 HydrophobicContact CB-CB 4.26Å; L831-L836 HydrophobicContact CD1-CB 4.42Å; L831-L836 HydrophobicContact CD1-CD1 4.02Å
832	S	97.4	Very high	97.7	Very high	31 Å²	31	21.8 Å²	21.8	22%	0.217	11%	0.112	C	C	.	.			trans	-68	160.2	168.8	64.3	0	0	0	0	111.6	D834 E835 L836	S832-D834 VanDerWaalsContact C-N 3.34Å; S832-D834 PolarHBondContact O-N 3.1Å; S832-E835 PolarHBondContact N-OE2 2.84Å; S832-E835 PolarHBondContact O-N 2.97Å; S832-E835 WeakPolarHBondContact OG-CB 3.47Å; S832-E835 WeakPolarHBondContact OG-CG 3.48Å; S832-E835 PolarHBondContact OG-N 3.28Å; S832-E835 PolarHBondContact OG-OE2 3.44Å; S832-L836 PolarHBondContact O-N 2.94Å
833	A	97.8	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-53.7	-48.8	174.5	0	0	0	0	0	112.2	N85 F803 Q837	N85-A833 WeakPolarHBondContact O-CB 3.48Å; N85-A833 WeakPolarHBondContact OD1-CB 3.34Å; N85-A833 PolarHBondContact OD1-N 3.25Å; F803-A833 HydrophobicContact CE2-CB 4.28Å; F803-A833 HydrophobicContact CZ-CB 4.42Å; A833-Q837 WeakPolarHBondContact O-CB 3.47Å; A833-Q837 WeakPolarHBondContact O-CG 3.48Å; A833-Q837 PolarHBondContact O-N 3.29Å
834	D	97.6	Very high	97.7	Very high	17 Å²	17	21.6 Å²	21.6	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-66.3	-43.5	179.9	-73.2	-48.7	0	0	0	112.7	G87 I88 E89 R468 S832 L836 Q837 Q838	G87-D834 WeakPolarHBondContact CA-OD1 3.34Å; G87-D834 WeakPolarHBondContact CA-OD2 3.39Å; I88-D834 WeakPolarHBondContact CG1-OD2 3.49Å; I88-D834 VanDerWaalsContact N-CG 3.28Å; I88-D834 PolarHBondContact N-OD1 2.95Å; I88-D834 PolarHBondContact N-OD2 3.22Å; E89-D834 HydrophobicContact CB-CB 4.48Å; E89-D834 HydrophobicContact CG-CB 4.1Å; E89-D834 PolarHBondContact N-OD1 3.47Å; R468-D834 IonicContact NH1-OD1 2.81Å; R468-D834 PolarHBondContact NH1-OD1 2.9Å; S832-D834 VanDerWaalsContact C-N 3.34Å; S832-D834 PolarHBondContact O-N 3.1Å; D834-L836 PolarHBondContact O-N 2.8Å; D834-Q837 PolarHBondContact O-N 3.48Å; D834-Q838 WeakPolarHBondContact O-CB 3.37Å; D834-Q838 PolarHBondContact O-N 3.24Å
835	E	96.1	Very high	97.7	Very high	63 Å²	63	21.6 Å²	21.6	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-59.6	-47.5	178.7	-77.9	172.6	138.6	0	0	111.4	S832 L839	S832-E835 PolarHBondContact N-OE2 2.84Å; S832-E835 PolarHBondContact O-N 2.97Å; S832-E835 WeakPolarHBondContact OG-CB 3.47Å; S832-E835 WeakPolarHBondContact OG-CG 3.48Å; S832-E835 PolarHBondContact OG-N 3.28Å; S832-E835 PolarHBondContact OG-OE2 3.44Å; E835-L839 WeakPolarHBondContact O-CB 3.41Å; E835-L839 PolarHBondContact O-N 3.35Å
836	L	98	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-46.3	-180	-178.6	59.2	0	0	0	111.6	L722 V762 F803 F805 V824 L831 S832 D834 Q838 L839 T840	L722-L836 HydrophobicContact CD1-CD1 4.3Å; V762-L836 HydrophobicContact CG2-CD1 4.4Å; V762-L836 HydrophobicContact CG2-CD2 4.49Å; F803-L836 HydrophobicContact CE1-CD2 3.94Å; F803-L836 HydrophobicContact CZ-CB 4.32Å; F803-L836 HydrophobicContact CZ-CD2 3.83Å; F805-L836 HydrophobicContact CE1-CD2 3.91Å; F805-L836 HydrophobicContact CE1-CG 4.1Å; F805-L836 HydrophobicContact CZ-CD2 4.45Å; F805-L836 HydrophobicContact CZ-CG 4.2Å; V824-L836 HydrophobicContact CG2-CD2 3.35Å; L831-L836 HydrophobicContact CB-CB 4.26Å; L831-L836 HydrophobicContact CD1-CB 4.42Å; L831-L836 HydrophobicContact CD1-CD1 4.02Å; S832-L836 PolarHBondContact O-N 2.94Å; D834-L836 PolarHBondContact O-N 2.8Å; L836-Q838 PolarHBondContact O-N 2.91Å; L836-L839 PolarHBondContact O-N 3.27Å; L836-T840 WeakPolarHBondContact O-CB 3.38Å; L836-T840 PolarHBondContact O-N 3.42Å; L836-T840 PolarHBondContact O-OG1 3.09Å
837	Q	98.4	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.7	-45.1	-179.4	-71.1	163.2	13.1	0	0	111.5	L470 T792 D794 F805 A833 D834 T840 Y841	L470-Q837 HydrophobicContact CD1-CB 4.15Å; T792-Q837 HydrophobicContact CG2-CB 4.48Å; T792-Q837 HydrophobicContact CG2-CG 4.13Å; D794-Q837 PolarHBondContact OD2-NE2 3.32Å; F805-Q837 HydrophobicContact CD1-CG 4.06Å; F805-Q837 HydrophobicContact CD2-CG 3.78Å; F805-Q837 HydrophobicContact CE1-CG 4.11Å; F805-Q837 HydrophobicContact CE2-CB 4.43Å; F805-Q837 HydrophobicContact CE2-CG 3.83Å; F805-Q837 HydrophobicContact CG-CG 3.9Å; F805-Q837 HydrophobicContact CZ-CG 3.99Å; A833-Q837 WeakPolarHBondContact O-CB 3.47Å; A833-Q837 WeakPolarHBondContact O-CG 3.48Å; A833-Q837 PolarHBondContact O-N 3.29Å; D834-Q837 PolarHBondContact O-N 3.48Å; Q837-T840 PolarHBondContact O-N 3.44Å; Q837-Y841 WeakPolarHBondContact O-CB 3.48Å; Q837-Y841 PolarHBondContact O-N 2.82Å
838	Q	96.9	Very high	97.6	Very high	25 Å²	25	19.7 Å²	19.7	12%	0.117	10%	0.104	C	C	.	.	H	α-helix	trans	-66.4	-43.7	177.5	-173.8	60.3	6.3	0	0	110.8	S471 D834 L836 T840 Y841 Q842	S471-Q838 PolarHBondContact O-NE2 3.05Å; S471-Q838 VanDerWaalsContact O-NE2 3.12Å; D834-Q838 WeakPolarHBondContact O-CB 3.37Å; D834-Q838 PolarHBondContact O-N 3.24Å; L836-Q838 PolarHBondContact O-N 2.91Å; Q838-T840 PolarHBondContact O-N 3.26Å; Q838-Y841 PolarHBondContact O-N 2.95Å; Q838-Q842 VanDerWaalsContact O-CG 3.28Å; Q838-Q842 WeakPolarHBondContact O-CG 3.45Å; Q838-Q842 PolarHBondContact O-N 3.46Å
839	L	97.3	Very high	97.5	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-48.4	174.4	177.1	64	0	0	0	112.1	P641 I643 F644 F650 L722 E835 L836 Y841 Q842 L843	P641-L839 HydrophobicContact CG-CB 4.25Å; P641-L839 HydrophobicContact CG-CD1 4.4Å; I643-L839 HydrophobicContact CD1-CD2 4.18Å; I643-L839 HydrophobicContact CG2-CD1 4.4Å; I643-L839 HydrophobicContact CG2-CD2 4.2Å; F644-L839 HydrophobicContact CE2-CD1 3.58Å; F644-L839 HydrophobicContact CZ-CD1 4.05Å; F650-L839 HydrophobicContact CE1-CD1 3.85Å; F650-L839 HydrophobicContact CE1-CD2 4.12Å; F650-L839 HydrophobicContact CE1-CG 4.34Å; F650-L839 HydrophobicContact CZ-CD1 4.07Å; L722-L839 HydrophobicContact CD1-CD2 3.8Å; E835-L839 WeakPolarHBondContact O-CB 3.41Å; E835-L839 PolarHBondContact O-N 3.35Å; L836-L839 PolarHBondContact O-N 3.27Å; L839-Y841 VanDerWaalsContact C-N 3.27Å; L839-Y841 PolarHBondContact O-N 3.48Å; L839-Q842 PolarHBondContact O-N 3.12Å; L839-L843 HydrophobicContact CD1-CD1 4.31Å; L839-L843 HydrophobicContact CD1-CG 4.41Å; L839-L843 HydrophobicContact CG-CD1 4.26Å; L839-L843 WeakPolarHBondContact O-CG 3.46Å; L839-L843 PolarHBondContact O-N 3.24Å
840	T	98.5	Very high	97.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-57.6	-42.4	175.9	-58.1	0	0	0	0	110.9	Y724 L807 Y822 L836 Q837 Q838 L843 C844 P857	Y724-T840 HydrophobicContact CE1-CG2 4.05Å; Y724-T840 WeakPolarHBondContact OH-CA 3.5Å; Y724-T840 WeakPolarHBondContact OH-CB 3.48Å; Y724-T840 PolarHBondContact OH-OG1 2.93Å; L807-T840 HydrophobicContact CD2-CG2 3.82Å; Y822-T840 HydrophobicContact CD1-CG2 3.75Å; Y822-T840 HydrophobicContact CD2-CG2 4.39Å; Y822-T840 HydrophobicContact CE1-CG2 3.28Å; Y822-T840 HydrophobicContact CE2-CG2 4.01Å; Y822-T840 HydrophobicContact CG-CG2 4.28Å; Y822-T840 VanDerWaalsContact CZ-CG2 3.42Å; L836-T840 WeakPolarHBondContact O-CB 3.38Å; L836-T840 PolarHBondContact O-N 3.42Å; L836-T840 PolarHBondContact O-OG1 3.09Å; Q837-T840 PolarHBondContact O-N 3.44Å; Q838-T840 PolarHBondContact O-N 3.26Å; T840-L843 PolarHBondContact O-N 3.4Å; T840-C844 PolarHBondContact O-N 2.95Å; T840-C844 PolarHBondContact O-SG 3.24Å; T840-P857 HydrophobicContact CG2-CG 3.82Å
841	Y	98.3	Very high	97.5	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.016	7%	0.065	C	C	.	.	H	α-helix	trans	-68.4	-39.8	178.2	-170.3	-141.8	0	0	0	112.4	L470 A472 P789 G790 L807 S809 Q837 Q838 L839 L843 C844 H845	L470-Y841 HydrophobicContact CB-CD1 3.66Å; L470-Y841 HydrophobicContact CB-CE1 4.02Å; L470-Y841 HydrophobicContact CD1-CD1 4.32Å; L470-Y841 HydrophobicContact CD1-CG 4.45Å; L470-Y841 WeakPolarHBondContact O-CE1 3.11Å; A472-Y841 HydrophobicContact CB-CE1 4.32Å; P789-Y841 PolarHBondContact O-OH 2.84Å; G790-Y841 VanDerWaalsContact CA-CZ 3.4Å; G790-Y841 PolarHBondContact N-OH 2.98Å; L807-Y841 HydrophobicContact CD1-CD2 4.09Å; L807-Y841 HydrophobicContact CD1-CG 4.31Å; L807-Y841 HydrophobicContact CD2-CD2 4.32Å; L807-Y841 HydrophobicContact CD2-CG 4.47Å; S809-Y841 WeakPolarHBondContact O-CE2 3.33Å; Q837-Y841 WeakPolarHBondContact O-CB 3.48Å; Q837-Y841 PolarHBondContact O-N 2.82Å; Q838-Y841 PolarHBondContact O-N 2.95Å; L839-Y841 VanDerWaalsContact C-N 3.27Å; L839-Y841 PolarHBondContact O-N 3.48Å; Y841-L843 PolarHBondContact O-N 3.06Å; Y841-C844 VanDerWaalsContact O-CB 3.31Å; Y841-C844 WeakPolarHBondContact O-CB 3.37Å; Y841-C844 PolarHBondContact O-N 3.39Å; Y841-C844 VanDerWaalsContact O-N 3.14Å; Y841-H845 AromaticContact CD2-CE1 3.81Å; Y841-H845 AromaticContact CE2-CE1 3.42Å; Y841-H845 VanDerWaalsContact CE2-CE1 3.42Å; Y841-H845 WeakPolarHBondContact CE2-CE1 3.42Å; Y841-H845 AromaticContact CZ-CE1 3.54Å; Y841-H845 PolarHBondContact O-CE1 3.39Å; Y841-H845 PolarHBondContact O-ND1 3.1Å
842	Q	97.7	Very high	97.5	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	8%	0.078	C	C	.	.	H	α-helix	trans	-61.8	-43.1	175.1	-70.3	-171.2	0.2	0	0	112.1	P473 L635 I639 Q838 L839 C844 H845	P473-Q842 HydrophobicContact CB-CG 4Å; P473-Q842 HydrophobicContact CG-CB 4.48Å; P473-Q842 HydrophobicContact CG-CG 4.16Å; L635-Q842 HydrophobicContact CD1-CB 3.92Å; L635-Q842 HydrophobicContact CD2-CB 4.08Å; I639-Q842 PolarHBondContact O-NE2 3.32Å; Q838-Q842 VanDerWaalsContact O-CG 3.28Å; Q838-Q842 WeakPolarHBondContact O-CG 3.45Å; Q838-Q842 PolarHBondContact O-N 3.46Å; L839-Q842 PolarHBondContact O-N 3.12Å; Q842-C844 PolarHBondContact O-N 3.41Å; Q842-H845 WeakPolarHBondContact O-CB 3.42Å; Q842-H845 PolarHBondContact O-N 2.97Å
843	L	98.3	Very high	97.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.7	-17.7	176.6	-67	172.6	0	0	0	113.6	F650 P679 Y724 L839 T840 Y841 H845 T846 P857 A858	F650-L843 HydrophobicContact CD1-CD1 3.75Å; F650-L843 HydrophobicContact CD1-CD2 4.35Å; F650-L843 HydrophobicContact CE1-CD1 4.07Å; F650-L843 HydrophobicContact CG-CD1 4.48Å; F650-L843 HydrophobicContact CG-CD2 4.42Å; P679-L843 HydrophobicContact CG-CD2 3.64Å; Y724-L843 HydrophobicContact CD2-CD1 4.46Å; Y724-L843 HydrophobicContact CE2-CD1 3.51Å; L839-L843 HydrophobicContact CD1-CD1 4.31Å; L839-L843 HydrophobicContact CD1-CG 4.41Å; L839-L843 HydrophobicContact CG-CD1 4.26Å; L839-L843 WeakPolarHBondContact O-CG 3.46Å; L839-L843 PolarHBondContact O-N 3.24Å; T840-L843 PolarHBondContact O-N 3.4Å; Y841-L843 PolarHBondContact O-N 3.06Å; L843-H845 PolarHBondContact O-N 3.33Å; L843-T846 PolarHBondContact O-OG1 2.99Å; L843-T846 VanDerWaalsContact O-OG1 3.08Å; L843-P857 HydrophobicContact CB-CB 3.9Å; L843-A858 WeakPolarHBondContact O-CB 3.5Å; L843-A858 PolarHBondContact O-N 3.22Å
844	C	98.5	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.1	169.1	-65	0	0	0	0	113.1	S809 T840 Y841 Q842 S853 V854	S809-C844 WeakPolarHBondContact CB-SG 3.3Å; S809-C844 PolarHBondContact OG-SG 2.88Å; T840-C844 PolarHBondContact O-N 2.95Å; T840-C844 PolarHBondContact O-SG 3.24Å; Y841-C844 VanDerWaalsContact O-CB 3.31Å; Y841-C844 WeakPolarHBondContact O-CB 3.37Å; Y841-C844 PolarHBondContact O-N 3.39Å; Y841-C844 VanDerWaalsContact O-N 3.14Å; Q842-C844 PolarHBondContact O-N 3.41Å; C844-S853 WeakPolarHBondContact O-CA 3.34Å; C844-V854 WeakPolarHBondContact CB-O 3.35Å; C844-V854 VanDerWaalsContact O-CG2 3.26Å; C844-V854 WeakPolarHBondContact O-CG2 3.36Å; C844-V854 PolarHBondContact O-N 3.3Å
845	H	98.1	Very high	97.5	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	7%	0.071	C	C	.	.	S	Bend	trans	-100.3	-6.8	179.4	-63	76.9	0	0	0	113.6	P473 L475 W492 Y841 Q842 L843 Y847 S853	P473-H845 VanDerWaalsContact CD-CE1 3.48Å; P473-H845 WeakPolarHBondContact CD-CE1 3.42Å; P473-H845 HydrophobicContact CG-CB 3.91Å; L475-H845 HydrophobicContact CD2-CB 4.29Å; W492-H845 HydrophobicContact CH2-CB 4.27Å; W492-H845 AromaticContact CZ3-CD2 3.69Å; Y841-H845 AromaticContact CD2-CE1 3.81Å; Y841-H845 AromaticContact CE2-CE1 3.42Å; Y841-H845 VanDerWaalsContact CE2-CE1 3.42Å; Y841-H845 WeakPolarHBondContact CE2-CE1 3.42Å; Y841-H845 AromaticContact CZ-CE1 3.54Å; Y841-H845 PolarHBondContact O-CE1 3.39Å; Y841-H845 PolarHBondContact O-ND1 3.1Å; Q842-H845 WeakPolarHBondContact O-CB 3.42Å; Q842-H845 PolarHBondContact O-N 2.97Å; L843-H845 PolarHBondContact O-N 3.33Å; H845-Y847 VanDerWaalsContact C-N 3.32Å; H845-S853 PolarHBondContact CE1-OG 2.86Å; H845-S853 WeakPolarHBondContact NE2-CB 3.39Å
846	T	97.8	Very high	97.6	Very high	12 Å²	12	12.1 Å²	12.1	7%	0.074	6%	0.059	C	C	.	.			trans	-91.1	6.8	179.5	61.4	0	0	0	0	113.1	L635 L843 V848 A858 Y862	L635-T846 HydrophobicContact CD1-CG2 3.83Å; L635-T846 HydrophobicContact CD2-CG2 4.09Å; L635-T846 HydrophobicContact CG-CG2 3.72Å; L843-T846 PolarHBondContact O-OG1 2.99Å; L843-T846 VanDerWaalsContact O-OG1 3.08Å; T846-V848 PolarHBondContact O-N 2.85Å; T846-A858 VanDerWaalsContact OG1-CB 3.3Å; T846-A858 WeakPolarHBondContact OG1-CB 3.22Å; T846-Y862 PolarHBondContact O-OH 2.8Å; T846-Y862 VanDerWaalsContact O-OH 3.07Å
847	Y	98.2	Very high	97.6	Very high	14 Å²	14	12.1 Å²	12.1	6%	0.055	6%	0.059	C	C	.	.			trans	-74.4	114.2	178	-178	-108.4	0	0	0	111.6	H845 R849 V854 Y861 Y862 L865	H845-Y847 VanDerWaalsContact C-N 3.32Å; Y847-R849 VanDerWaalsContact C-N 3.35Å; Y847-R849 HydrophobicContact CD1-CB 4.23Å; Y847-R849 HydrophobicContact CE1-CB 3.61Å; Y847-R849 HydrophobicContact CE1-CG 4.25Å; Y847-R849 HydrophobicContact CE2-CG 4.48Å; Y847-R849 PolarHBondContact O-N 3.26Å; Y847-R849 VanDerWaalsContact OH-CD 3.31Å; Y847-R849 WeakPolarHBondContact OH-CD 3.38Å; Y847-V854 HydrophobicContact CD1-CG1 3.42Å; Y847-V854 VanDerWaalsContact CD1-CG1 3.42Å; Y847-V854 HydrophobicContact CD1-CG2 4.41Å; Y847-V854 HydrophobicContact CE1-CG1 3.93Å; Y847-V854 HydrophobicContact CG-CG1 3.92Å; Y847-V854 HydrophobicContact CG-CG2 4.05Å; Y847-Y861 HydrophobicContact CD2-CD1 4.49Å; Y847-Y861 HydrophobicContact CD2-CG 4.15Å; Y847-Y861 AromaticContact CE2-CD1 3.63Å; Y847-Y861 HydrophobicContact CE2-CD1 3.63Å; Y847-Y861 HydrophobicContact CE2-CD2 4.44Å; Y847-Y861 HydrophobicContact CE2-CE1 4.29Å; Y847-Y861 AromaticContact CE2-CG 3.74Å; Y847-Y861 HydrophobicContact CE2-CG 3.74Å; Y847-Y861 AromaticContact CZ-CD1 3.79Å; Y847-Y861 AromaticContact CZ-CE1 3.97Å; Y847-Y861 WeakPolarHBondContact OH-CE1 3.4Å; Y847-Y862 WeakPolarHBondContact CA-OH 3.22Å; Y847-Y862 AromaticContact CD2-CD1 3.97Å; Y847-Y862 HydrophobicContact CD2-CD1 3.97Å; Y847-Y862 AromaticContact CD2-CE1 3.32Å; Y847-Y862 HydrophobicContact CD2-CE1 3.32Å; Y847-Y862 AromaticContact CD2-CZ 3.91Å; Y847-Y862 AromaticContact CE2-CD1 3.89Å; Y847-Y862 HydrophobicContact CE2-CD1 3.89Å; Y847-Y862 AromaticContact CE2-CE1 3.56Å; Y847-Y862 HydrophobicContact CE2-CE1 3.56Å; Y847-Y862 HydrophobicContact CG-CE1 4.42Å; Y847-L865 HydrophobicContact CE2-CD1 4.19Å
848	V	97.4	Very high	97.6	Very high	10 Å²	10	12.1 Å²	12.1	6%	0.061	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.4	-163.8	-65.6	0	0	0	0	116	V626 N632 T846 Y862 M913	V626-V848 HydrophobicContact CB-CG2 4.37Å; V626-V848 HydrophobicContact CG1-CG2 3.98Å; V626-V848 HydrophobicContact CG2-CB 3.79Å; V626-V848 HydrophobicContact CG2-CG1 4.01Å; V626-V848 HydrophobicContact CG2-CG2 3.93Å; N632-V848 PolarHBondContact ND2-O 3.48Å; N632-V848 VanDerWaalsContact ND2-O 3.11Å; T846-V848 PolarHBondContact O-N 2.85Å; V848-Y862 WeakPolarHBondContact CG1-OH 3.46Å; V848-Y862 HydrophobicContact CG2-CE1 4.12Å; V848-Y862 WeakPolarHBondContact CG2-OH 3.3Å; V848-Y862 PolarHBondContact N-OH 3.32Å; V848-M913 HydrophobicContact CG2-CE 4.12Å
849	R	95.5	Very high	97.7	Very high	32 Å²	32	11 Å²	11	12%	0.121	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	-172.7	-62.8	179.1	55.7	171.9	2.7	114.4	F21 K623 Y847 A916	F21-R849 VanDerWaalsContact CE2-NH2 3.33Å; K623-R849 HydrophobicContact CG-CG 4.29Å; Y847-R849 VanDerWaalsContact C-N 3.35Å; Y847-R849 HydrophobicContact CD1-CB 4.23Å; Y847-R849 HydrophobicContact CE1-CB 3.61Å; Y847-R849 HydrophobicContact CE1-CG 4.25Å; Y847-R849 HydrophobicContact CE2-CG 4.48Å; Y847-R849 PolarHBondContact O-N 3.26Å; Y847-R849 VanDerWaalsContact OH-CD 3.31Å; Y847-R849 WeakPolarHBondContact OH-CD 3.38Å; R849-A916 WeakPolarHBondContact CD-OXT 3.28Å; R849-A916 WeakPolarHBondContact CG-OXT 3.22Å; R849-A916 PolarHBondContact NE-OXT 3.35Å
850	C	95.7	Very high	97.7	Very high	29 Å²	29	10.9 Å²	10.9	20%	0.196	5%	0.053	C	C	.	.	S	Bend	trans	-156	156.9	176.3	58.2	0	0	0	0	111.3	R852	C850-R852 HydrophobicContact CB-CG 4.45Å; C850-R852 PolarHBondContact O-N 3.25Å; C850-R852 VanDerWaalsContact O-N 3.12Å
851	T	96.4	Very high	97.7	Very high	12 Å²	12	13.5 Å²	13.5	7%	0.074	6%	0.063	C	C	.	.	S	Bend	trans	-87	54.1	172	54	0	0	0	0	111.5	W492 M494 L622	W492-T851 VanDerWaalsContact CE2-CA 3.44Å; W492-T851 PolarHBondContact N-O 2.9Å; W492-T851 WeakPolarHBondContact O-CB 3.37Å; W492-T851 PolarHBondContact O-OG1 3.24Å; M494-T851 HydrophobicContact CG-CG2 3.85Å; L622-T851 HydrophobicContact CD1-CG2 4.42Å
852	R	97.2	Very high	97.7	Very high	80 Å²	80	13.3 Å²	13.3	30%	0.302	6%	0.062	S	C	.	.	B	Isolated β-bridge	trans	-142.1	147.2	-177.7	-56.1	179.9	72.1	90.9	2.1	110.3	G490 V491 W492 C850 V854	G490-R852 WeakPolarHBondContact O-CA 3.39Å; V491-R852 HydrophobicContact CG1-CG 4.33Å; V491-R852 HydrophobicContact CG2-CG 4.37Å; V491-R852 VanDerWaalsContact CG2-NH1 3.34Å; W492-R852 VanDerWaalsContact CH2-C 3.47Å; W492-R852 VanDerWaalsContact CH2-N 3.35Å; W492-R852 VanDerWaalsContact CZ3-CA 3.47Å; C850-R852 HydrophobicContact CB-CG 4.45Å; C850-R852 PolarHBondContact O-N 3.25Å; C850-R852 VanDerWaalsContact O-N 3.12Å; R852-V854 PolarHBondContact O-N 2.88Å
853	S	98.1	Very high	97.7	Very high	5 Å²	5	13.2 Å²	13.2	4%	0.035	6%	0.062	C	C	.	.			trans	-68.8	121.7	165.4	-175	0	0	0	0	109.2	G490 S809 H810 C844 H845	G490-S853 PolarHBondContact O-N 3.34Å; S809-S853 WeakPolarHBondContact O-CB 3.45Å; S809-S853 PolarHBondContact O-OG 3.1Å; H810-S853 WeakPolarHBondContact CB-O 3.34Å; C844-S853 WeakPolarHBondContact O-CA 3.34Å; H845-S853 PolarHBondContact CE1-OG 2.86Å; H845-S853 WeakPolarHBondContact NE2-CB 3.39Å
854	V	97.8	Very high	97.6	Very high	14 Å²	14	15 Å²	15	9%	0.085	7%	0.071	C	C	.	.			trans	-89.2	165.2	179.4	-71.4	0	0	0	0	111.7	S809 C844 Y847 R852 I856 Y861	S809-V854 WeakPolarHBondContact CB-O 3.09Å; S809-V854 PolarHBondContact OG-O 2.91Å; C844-V854 WeakPolarHBondContact CB-O 3.35Å; C844-V854 VanDerWaalsContact O-CG2 3.26Å; C844-V854 WeakPolarHBondContact O-CG2 3.36Å; C844-V854 PolarHBondContact O-N 3.3Å; Y847-V854 HydrophobicContact CD1-CG1 3.42Å; Y847-V854 VanDerWaalsContact CD1-CG1 3.42Å; Y847-V854 HydrophobicContact CD1-CG2 4.41Å; Y847-V854 HydrophobicContact CE1-CG1 3.93Å; Y847-V854 HydrophobicContact CG-CG1 3.92Å; Y847-V854 HydrophobicContact CG-CG2 4.05Å; R852-V854 PolarHBondContact O-N 2.88Å; V854-I856 VanDerWaalsContact C-N 3.29Å; V854-I856 WeakPolarHBondContact CG2-O 3.41Å; V854-I856 PolarHBondContact O-N 2.87Å; V854-Y861 HydrophobicContact CB-CD2 4.1Å; V854-Y861 HydrophobicContact CB-CE2 4.14Å; V854-Y861 HydrophobicContact CG1-CE2 4.34Å; V854-Y861 HydrophobicContact CG2-CD2 4.17Å
855	S	97.5	Very high	97.5	Very high	7 Å²	7	15.6 Å²	15.6	5%	0.049	7%	0.074	C	C	.	.	S	Bend	trans	-72.4	-16.5	-171.5	60.3	0	0	0	0	115.4	K766 S809 H810 S820	K766-S855 WeakPolarHBondContact CE-OG 3.26Å; K766-S855 PolarHBondContact NZ-OG 3.47Å; S809-S855 VanDerWaalsContact OG-C 3.27Å; S809-S855 WeakPolarHBondContact OG-CA 3.48Å; S809-S855 PolarHBondContact OG-O 2.91Å; H810-S855 WeakPolarHBondContact ND1-CB 3.17Å; S820-S855 WeakPolarHBondContact CB-O 3.47Å; S820-S855 PolarHBondContact OG-O 3.46Å
856	I	98.2	Very high	97.5	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.031	7%	0.073	C	C	.	.	S	Bend	trans	-141.6	157	-179.5	56.7	175.7	0	0	0	107.9	V764 K766 S820 V854 A860 Y861	V764-I856 HydrophobicContact CG1-CB 4.36Å; V764-I856 HydrophobicContact CG1-CG2 3.77Å; K766-I856 HydrophobicContact CB-CG2 4.26Å; K766-I856 HydrophobicContact CD-CG2 4.31Å; S820-I856 WeakPolarHBondContact OG-CG2 3.39Å; V854-I856 VanDerWaalsContact C-N 3.29Å; V854-I856 WeakPolarHBondContact CG2-O 3.41Å; V854-I856 PolarHBondContact O-N 2.87Å; I856-A860 HydrophobicContact CD1-CB 4.15Å; I856-Y861 HydrophobicContact CD1-CD2 4Å; I856-Y861 HydrophobicContact CD1-CG 4.25Å; I856-Y861 HydrophobicContact CG1-CD2 3.54Å; I856-Y861 HydrophobicContact CG1-CE2 4.28Å; I856-Y861 HydrophobicContact CG1-CG 4.17Å
857	P	98.5	Very high	97.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.			trans	-54.1	143.5	179.2	-28.8	38.6	0	0	0	111.9	Y724 Y822 T840 L843 P859 A860 Y861	Y724-P857 HydrophobicContact CD1-CG 3.95Å; Y724-P857 HydrophobicContact CD2-CB 4.14Å; Y724-P857 HydrophobicContact CD2-CG 4.27Å; Y724-P857 HydrophobicContact CE1-CG 3.85Å; Y724-P857 HydrophobicContact CE2-CB 4.2Å; Y724-P857 HydrophobicContact CE2-CG 4.17Å; Y724-P857 HydrophobicContact CG-CB 4.35Å; Y724-P857 HydrophobicContact CG-CG 4.15Å; Y822-P857 HydrophobicContact CE1-CG 3.99Å; Y822-P857 WeakPolarHBondContact OH-CD 3.48Å; T840-P857 HydrophobicContact CG2-CG 3.82Å; L843-P857 HydrophobicContact CB-CB 3.9Å; P857-P859 VanDerWaalsContact C-CD 3.44Å; P857-P859 VanDerWaalsContact C-N 3.32Å; P857-P859 HydrophobicContact CB-CG 4.01Å; P857-A860 PolarHBondContact O-N 2.91Å; P857-A860 VanDerWaalsContact O-N 3.11Å; P857-Y861 PolarHBondContact O-N 2.89Å
858	A	98.5	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-45.7	-46.1	176.3	0	0	0	0	0	114.2	L843 T846 A860 Y861 Y862	L843-A858 WeakPolarHBondContact O-CB 3.5Å; L843-A858 PolarHBondContact O-N 3.22Å; T846-A858 VanDerWaalsContact OG1-CB 3.3Å; T846-A858 WeakPolarHBondContact OG1-CB 3.22Å; A858-A860 PolarHBondContact O-N 3.31Å; A858-Y861 WeakPolarHBondContact O-CB 3.37Å; A858-Y861 PolarHBondContact O-N 3.49Å; A858-Y862 HydrophobicContact CB-CD2 4.33Å; A858-Y862 HydrophobicContact CB-CE2 3.7Å; A858-Y862 WeakPolarHBondContact O-CB 3.37Å; A858-Y862 WeakPolarHBondContact O-CD2 3.43Å; A858-Y862 PolarHBondContact O-N 2.86Å
859	P	98.5	Very high	97	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-56.1	-49.2	177	15.4	-29.3	0	0	0	113.6	V672 Y682 Y724 P857 Y861 Y862 A863	V672-P859 HydrophobicContact CG2-CB 4.22Å; V672-P859 WeakPolarHBondContact CG2-O 3.36Å; Y682-P859 HydrophobicContact CE1-CB 3.77Å; Y682-P859 HydrophobicContact CE1-CG 4.4Å; Y724-P859 HydrophobicContact CD2-CG 4.02Å; P857-P859 VanDerWaalsContact C-CD 3.44Å; P857-P859 VanDerWaalsContact C-N 3.32Å; P857-P859 HydrophobicContact CB-CG 4.01Å; P859-Y861 VanDerWaalsContact C-N 3.3Å; P859-Y861 PolarHBondContact O-N 3.25Å; P859-Y862 PolarHBondContact O-N 3.31Å; P859-A863 PolarHBondContact O-N 3.4Å
860	A	97.9	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.5	-40.9	177.7	0	0	0	0	0	111.2	D726 I856 P857 A858 Y862 A863 H864	D726-A860 HydrophobicContact CB-CB 4.39Å; I856-A860 HydrophobicContact CD1-CB 4.15Å; P857-A860 PolarHBondContact O-N 2.91Å; P857-A860 VanDerWaalsContact O-N 3.11Å; A858-A860 PolarHBondContact O-N 3.31Å; A860-Y862 VanDerWaalsContact C-N 3.35Å; A860-Y862 PolarHBondContact O-N 3.1Å; A860-A863 PolarHBondContact O-N 3.38Å; A860-H864 PolarHBondContact O-N 3.08Å
861	Y	97.6	Very high	96.7	Very high	55 Å²	55	17.4 Å²	17.4	22%	0.216	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176.2	-141.4	-57.4	0	0	0	111.9	Y847 V854 I856 P857 A858 P859 H864 L865	Y847-Y861 HydrophobicContact CD2-CD1 4.49Å; Y847-Y861 HydrophobicContact CD2-CG 4.15Å; Y847-Y861 AromaticContact CE2-CD1 3.63Å; Y847-Y861 HydrophobicContact CE2-CD1 3.63Å; Y847-Y861 HydrophobicContact CE2-CD2 4.44Å; Y847-Y861 HydrophobicContact CE2-CE1 4.29Å; Y847-Y861 AromaticContact CE2-CG 3.74Å; Y847-Y861 HydrophobicContact CE2-CG 3.74Å; Y847-Y861 AromaticContact CZ-CD1 3.79Å; Y847-Y861 AromaticContact CZ-CE1 3.97Å; Y847-Y861 WeakPolarHBondContact OH-CE1 3.4Å; V854-Y861 HydrophobicContact CB-CD2 4.1Å; V854-Y861 HydrophobicContact CB-CE2 4.14Å; V854-Y861 HydrophobicContact CG1-CE2 4.34Å; V854-Y861 HydrophobicContact CG2-CD2 4.17Å; I856-Y861 HydrophobicContact CD1-CD2 4Å; I856-Y861 HydrophobicContact CD1-CG 4.25Å; I856-Y861 HydrophobicContact CG1-CD2 3.54Å; I856-Y861 HydrophobicContact CG1-CE2 4.28Å; I856-Y861 HydrophobicContact CG1-CG 4.17Å; P857-Y861 PolarHBondContact O-N 2.89Å; A858-Y861 WeakPolarHBondContact O-CB 3.37Å; A858-Y861 PolarHBondContact O-N 3.49Å; P859-Y861 VanDerWaalsContact C-N 3.3Å; P859-Y861 PolarHBondContact O-N 3.25Å; Y861-H864 PolarHBondContact O-N 3.22Å; Y861-L865 HydrophobicContact CD1-CG 4.37Å; Y861-L865 WeakPolarHBondContact O-CG 3.49Å; Y861-L865 PolarHBondContact O-N 3.42Å; Y861-L865 VanDerWaalsContact O-N 3.11Å
862	Y	98.4	Very high	96.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.2	-41.6	179.1	-63.9	-32.7	0	0	0	112.3	Y682 T846 Y847 V848 A858 P859 A860 H864 L865 V866 M913 F915	Y682-Y862 HydrophobicContact CD1-CD2 4.13Å; Y682-Y862 AromaticContact CD2-CD2 3.69Å; Y682-Y862 HydrophobicContact CD2-CD2 3.69Å; Y682-Y862 AromaticContact CD2-CE2 3.43Å; Y682-Y862 HydrophobicContact CD2-CE2 3.43Å; Y682-Y862 VanDerWaalsContact CD2-CE2 3.43Å; Y682-Y862 HydrophobicContact CE2-CD2 4.16Å; Y682-Y862 AromaticContact CE2-CE2 3.73Å; Y682-Y862 HydrophobicContact CE2-CE2 3.73Å; Y682-Y862 AromaticContact CG-CD2 3.7Å; Y682-Y862 HydrophobicContact CG-CD2 3.7Å; Y682-Y862 AromaticContact CG-CE2 3.96Å; Y682-Y862 HydrophobicContact CG-CE2 3.96Å; T846-Y862 PolarHBondContact O-OH 2.8Å; T846-Y862 VanDerWaalsContact O-OH 3.07Å; Y847-Y862 WeakPolarHBondContact CA-OH 3.22Å; Y847-Y862 AromaticContact CD2-CD1 3.97Å; Y847-Y862 HydrophobicContact CD2-CD1 3.97Å; Y847-Y862 AromaticContact CD2-CE1 3.32Å; Y847-Y862 HydrophobicContact CD2-CE1 3.32Å; Y847-Y862 AromaticContact CD2-CZ 3.91Å; Y847-Y862 AromaticContact CE2-CD1 3.89Å; Y847-Y862 HydrophobicContact CE2-CD1 3.89Å; Y847-Y862 AromaticContact CE2-CE1 3.56Å; Y847-Y862 HydrophobicContact CE2-CE1 3.56Å; Y847-Y862 HydrophobicContact CG-CE1 4.42Å; V848-Y862 WeakPolarHBondContact CG1-OH 3.46Å; V848-Y862 HydrophobicContact CG2-CE1 4.12Å; V848-Y862 WeakPolarHBondContact CG2-OH 3.3Å; V848-Y862 PolarHBondContact N-OH 3.32Å; A858-Y862 HydrophobicContact CB-CD2 4.33Å; A858-Y862 HydrophobicContact CB-CE2 3.7Å; A858-Y862 WeakPolarHBondContact O-CB 3.37Å; A858-Y862 WeakPolarHBondContact O-CD2 3.43Å; A858-Y862 PolarHBondContact O-N 2.86Å; P859-Y862 PolarHBondContact O-N 3.31Å; A860-Y862 VanDerWaalsContact C-N 3.35Å; A860-Y862 PolarHBondContact O-N 3.1Å; Y862-H864 VanDerWaalsContact C-N 3.27Å; Y862-H864 PolarHBondContact O-N 3.16Å; Y862-L865 HydrophobicContact CD1-CD1 4.33Å; Y862-L865 WeakPolarHBondContact O-CA 3.34Å; Y862-L865 WeakPolarHBondContact O-CB 3.29Å; Y862-L865 PolarHBondContact O-N 3.19Å; Y862-V866 WeakPolarHBondContact O-CG2 3.35Å; Y862-V866 PolarHBondContact O-N 3.46Å; Y862-M913 HydrophobicContact CD1-CE 4.28Å; Y862-M913 HydrophobicContact CD2-CE 4.07Å; Y862-M913 HydrophobicContact CE1-CE 3.89Å; Y862-M913 HydrophobicContact CE2-CE 3.68Å; Y862-M913 HydrophobicContact CG-CE 4.37Å; Y862-F915 HydrophobicContact CD1-CD2 4.37Å; Y862-F915 AromaticContact CD1-CE2 3.78Å; Y862-F915 HydrophobicContact CD1-CE2 3.78Å; Y862-F915 HydrophobicContact CD2-CE2 4.43Å; Y862-F915 AromaticContact CG-CE2 3.71Å; Y862-F915 HydrophobicContact CG-CE2 3.71Å; Y862-F915 HydrophobicContact CG-CZ 4.45Å
863	A	97.9	Very high	96.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55	-45.6	174.5	0	0	0	0	0	111.6	G652 D654 A670 V672 P859 A860 L865 V866 A867	G652-A863 WeakPolarHBondContact O-CB 3.5Å; D654-A863 HydrophobicContact CB-CB 3.83Å; A670-A863 VanDerWaalsContact CB-O 3.26Å; A670-A863 WeakPolarHBondContact CB-O 3.25Å; V672-A863 HydrophobicContact CG2-CB 4.38Å; P859-A863 PolarHBondContact O-N 3.4Å; A860-A863 PolarHBondContact O-N 3.38Å; A863-L865 VanDerWaalsContact C-N 3.35Å; A863-L865 PolarHBondContact O-N 2.9Å; A863-V866 WeakPolarHBondContact O-CB 3.1Å; A863-V866 PolarHBondContact O-N 2.89Å; A863-A867 PolarHBondContact O-N 3.22Å
864	H	95.7	Very high	95.7	Very high	39 Å²	39	19.6 Å²	19.6	18%	0.181	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-36.7	175.1	177.6	-106.3	0	0	0	113.3	D654 A860 Y861 Y862 F868	D654-H864 HydrophobicContact CB-CB 4.33Å; D654-H864 WeakPolarHBondContact OD2-CA 3.36Å; D654-H864 IonicContact OD2-CD2 2.67Å; D654-H864 PolarHBondContact OD2-CD2 2.97Å; D654-H864 IonicContact OD2-CG 3.89Å; A860-H864 PolarHBondContact O-N 3.08Å; Y861-H864 PolarHBondContact O-N 3.22Å; Y862-H864 VanDerWaalsContact C-N 3.27Å; Y862-H864 PolarHBondContact O-N 3.16Å; H864-F868 AromaticContact CD2-CE2 3.89Å; H864-F868 AromaticContact CE1-CD2 3.58Å; H864-F868 AromaticContact CE1-CE2 3.23Å; H864-F868 WeakPolarHBondContact CE1-CE2 3.17Å; H864-F868 AromaticContact ND1-CD2 3.82Å; H864-F868 AromaticContact ND1-CE2 3.94Å; H864-F868 AromaticContact NE2-CD2 3.74Å; H864-F868 AromaticContact NE2-CE2 3.16Å; H864-F868 WeakPolarHBondContact NE2-CE2 3.36Å; H864-F868 WeakPolarHBondContact O-CB 3.16Å; H864-F868 WeakPolarHBondContact O-CD2 3.47Å; H864-F868 PolarHBondContact O-N 3.01Å
865	L	96.5	Very high	95	Very high	12 Å²	12	23 Å²	23	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-37.5	173.4	-67.8	-178.8	0	0	0	112.6	Y847 Y861 Y862 A863 R869 F915	Y847-L865 HydrophobicContact CE2-CD1 4.19Å; Y861-L865 HydrophobicContact CD1-CG 4.37Å; Y861-L865 WeakPolarHBondContact O-CG 3.49Å; Y861-L865 PolarHBondContact O-N 3.42Å; Y861-L865 VanDerWaalsContact O-N 3.11Å; Y862-L865 HydrophobicContact CD1-CD1 4.33Å; Y862-L865 WeakPolarHBondContact O-CA 3.34Å; Y862-L865 WeakPolarHBondContact O-CB 3.29Å; Y862-L865 PolarHBondContact O-N 3.19Å; A863-L865 VanDerWaalsContact C-N 3.35Å; A863-L865 PolarHBondContact O-N 2.9Å; L865-R869 WeakPolarHBondContact O-CB 3.11Å; L865-R869 PolarHBondContact O-N 3.47Å; L865-F915 HydrophobicContact CB-CB 4.35Å; L865-F915 HydrophobicContact CB-CD2 4.33Å
866	V	97.3	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-49.3	176.7	171.5	0	0	0	0	110.3	A670 V672 A684 V686 Y862 A863 F868 R869 A870 F915	A670-V866 HydrophobicContact CB-CB 3.82Å; A670-V866 HydrophobicContact CB-CG1 3.62Å; V672-V866 HydrophobicContact CG1-CG2 3.88Å; A684-V866 HydrophobicContact CB-CB 4.46Å; A684-V866 HydrophobicContact CB-CG1 4.07Å; A684-V866 HydrophobicContact CB-CG2 3.52Å; V686-V866 HydrophobicContact CB-CG1 3.96Å; V686-V866 HydrophobicContact CG2-CG1 4.28Å; Y862-V866 WeakPolarHBondContact O-CG2 3.35Å; Y862-V866 PolarHBondContact O-N 3.46Å; A863-V866 WeakPolarHBondContact O-CB 3.1Å; A863-V866 PolarHBondContact O-N 2.89Å; V866-F868 VanDerWaalsContact C-N 3.3Å; V866-F868 PolarHBondContact O-N 2.87Å; V866-R869 WeakPolarHBondContact O-CB 3.45Å; V866-R869 PolarHBondContact O-N 2.76Å; V866-A870 PolarHBondContact O-N 2.79Å; V866-F915 HydrophobicContact CG2-CB 3.8Å; V866-F915 HydrophobicContact CG2-CD1 3.42Å; V866-F915 VanDerWaalsContact CG2-CD1 3.42Å; V866-F915 HydrophobicContact CG2-CD2 4.12Å; V866-F915 HydrophobicContact CG2-CE1 3.97Å; V866-F915 HydrophobicContact CG2-CG 3.5Å
867	A	95.2	Very high	91.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-41.9	177.6	0	0	0	0	0	111.7	T656 I668 A670 A863 A870 R871	T656-A867 WeakPolarHBondContact OG1-CB 3.44Å; I668-A867 HydrophobicContact CG2-CB 4.2Å; A670-A867 HydrophobicContact CB-CB 3.88Å; A863-A867 PolarHBondContact O-N 3.22Å; A867-A870 PolarHBondContact O-N 3.02Å; A867-R871 PolarHBondContact O-N 2.81Å; A867-R871 VanDerWaalsContact O-N 3.14Å
868	F	93.3	Very high	88.5	Confident	79 Å²	79	42 Å²	42	35%	0.346	19%	0.194	S	C	.	.	H	α-helix	trans	-65.9	-37.3	174	-93.2	-52.7	0	0	0	113.6	T656 H864 V866 R871 Y872	T656-F868 HydrophobicContact CG2-CE1 4.43Å; H864-F868 AromaticContact CD2-CE2 3.89Å; H864-F868 AromaticContact CE1-CD2 3.58Å; H864-F868 AromaticContact CE1-CE2 3.23Å; H864-F868 WeakPolarHBondContact CE1-CE2 3.17Å; H864-F868 AromaticContact ND1-CD2 3.82Å; H864-F868 AromaticContact ND1-CE2 3.94Å; H864-F868 AromaticContact NE2-CD2 3.74Å; H864-F868 AromaticContact NE2-CE2 3.16Å; H864-F868 WeakPolarHBondContact NE2-CE2 3.36Å; H864-F868 WeakPolarHBondContact O-CB 3.16Å; H864-F868 WeakPolarHBondContact O-CD2 3.47Å; H864-F868 PolarHBondContact O-N 3.01Å; V866-F868 VanDerWaalsContact C-N 3.3Å; V866-F868 PolarHBondContact O-N 2.87Å; F868-R871 WeakPolarHBondContact O-CB 3.3Å; F868-R871 PolarHBondContact O-N 3.44Å; F868-Y872 WeakPolarHBondContact O-CD2 3.35Å; F868-Y872 PolarHBondContact O-N 2.91Å
869	R	94.7	Very high	85.7	Confident	12 Å²	12	50 Å²	50	5%	0.045	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-45.5	176.9	-178.5	61.8	66.2	74.1	15.1	111.1	D594 L865 V866 R871 Y872 H873 Y914 F915	D594-R869 IonicContact OD1-NH1 3.61Å; D594-R869 PolarHBondContact OD1-NH1 3.36Å; D594-R869 WeakPolarHBondContact OD2-CD 3.4Å; D594-R869 IonicContact OD2-CZ 2.7Å; D594-R869 IonicContact OD2-NE 3.82Å; D594-R869 IonicContact OD2-NH1 3.76Å; D594-R869 PolarHBondContact OD2-NH1 3.35Å; L865-R869 WeakPolarHBondContact O-CB 3.11Å; L865-R869 PolarHBondContact O-N 3.47Å; V866-R869 WeakPolarHBondContact O-CB 3.45Å; V866-R869 PolarHBondContact O-N 2.76Å; R869-R871 PolarHBondContact O-N 2.87Å; R869-Y872 WeakPolarHBondContact O-CA 3.3Å; R869-Y872 WeakPolarHBondContact O-CB 3.27Å; R869-Y872 PolarHBondContact O-N 3.14Å; R869-H873 PolarHBondContact O-N 3.09Å; R869-H873 VanDerWaalsContact O-N 3.13Å; R869-Y914 HydrophobicContact CB-CE2 4.44Å; R869-Y914 HydrophobicContact CG-CD2 4.15Å; R869-Y914 HydrophobicContact CG-CE2 3.7Å; R869-Y914 VanDerWaalsContact CZ-O 3.3Å; R869-Y914 PolarHBondContact NH1-O 2.98Å; R869-Y914 PolarHBondContact NH2-O 3.23Å; R869-F915 PolarHBondContact NH2-O 2.83Å
870	A	94.4	Very high	82.5	Confident	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-33	175.5	0	0	0	0	0	112.5	I668 V686 V866 A867 Y872 H873 L874 V903	I668-A870 HydrophobicContact CD1-CB 4.19Å; I668-A870 HydrophobicContact CG2-CB 3.88Å; V686-A870 HydrophobicContact CG2-CB 3.61Å; V866-A870 PolarHBondContact O-N 2.79Å; A867-A870 PolarHBondContact O-N 3.02Å; A870-Y872 VanDerWaalsContact C-N 3.26Å; A870-Y872 PolarHBondContact O-N 2.92Å; A870-H873 WeakPolarHBondContact O-CB 3.27Å; A870-H873 PolarHBondContact O-N 3.43Å; A870-H873 VanDerWaalsContact O-N 3.11Å; A870-L874 WeakPolarHBondContact O-CG 3.31Å; A870-L874 PolarHBondContact O-N 3.23Å; A870-L874 VanDerWaalsContact O-N 3.08Å; A870-V903 HydrophobicContact CB-CB 4.11Å; A870-V903 HydrophobicContact CB-CG1 3.82Å
871	R	90.9	Very high	79	Confident	44 Å²	44	62.8 Å²	62.8	17%	0.166	31%	0.307	C	S	.	.	H	α-helix	trans	-62	-33.6	172	-170.2	64	69	-171.4	3.5	113	T656 P666 I668 A867 F868 R869	T656-R871 PolarHBondContact O-NH2 2.99Å; T656-R871 VanDerWaalsContact O-NH2 3.08Å; P666-R871 PolarHBondContact O-NH1 2.61Å; P666-R871 PolarHBondContact O-NH2 3.21Å; I668-R871 HydrophobicContact CD1-CB 3.84Å; I668-R871 VanDerWaalsContact CD1-CZ 3.48Å; A867-R871 PolarHBondContact O-N 2.81Å; A867-R871 VanDerWaalsContact O-N 3.14Å; F868-R871 WeakPolarHBondContact O-CB 3.3Å; F868-R871 PolarHBondContact O-N 3.44Å; R869-R871 PolarHBondContact O-N 2.87Å
872	Y	91.2	Very high	75.6	Confident	107 Å²	107	63.5 Å²	63.5	42%	0.42	33%	0.331	S	S	.	.	H	α-helix	trans	-72.5	-32.7	172.9	-79.7	-73.5	0	0	0	112.6	Y586 A587 F868 R869 A870 L874 V875	Y586-Y872 AromaticContact CD1-CD1 3.91Å; Y586-Y872 HydrophobicContact CD1-CD1 3.91Å; Y586-Y872 AromaticContact CD1-CE1 3.78Å; Y586-Y872 HydrophobicContact CD1-CE1 3.78Å; Y586-Y872 HydrophobicContact CD1-CG 4.34Å; Y586-Y872 HydrophobicContact CE1-CD1 4.06Å; Y586-Y872 AromaticContact CE1-CD2 3.99Å; Y586-Y872 HydrophobicContact CE1-CD2 3.99Å; Y586-Y872 AromaticContact CE1-CE1 3.98Å; Y586-Y872 HydrophobicContact CE1-CE1 3.98Å; Y586-Y872 AromaticContact CE1-CE2 3.91Å; Y586-Y872 HydrophobicContact CE1-CE2 3.91Å; Y586-Y872 HydrophobicContact CE1-CG 4.06Å; Y586-Y872 AromaticContact CE1-CZ 3.9Å; A587-Y872 HydrophobicContact CB-CD1 4.02Å; F868-Y872 WeakPolarHBondContact O-CD2 3.35Å; F868-Y872 PolarHBondContact O-N 2.91Å; R869-Y872 WeakPolarHBondContact O-CA 3.3Å; R869-Y872 WeakPolarHBondContact O-CB 3.27Å; R869-Y872 PolarHBondContact O-N 3.14Å; A870-Y872 VanDerWaalsContact C-N 3.26Å; A870-Y872 PolarHBondContact O-N 2.92Å; Y872-L874 VanDerWaalsContact C-N 3.27Å; Y872-L874 PolarHBondContact O-N 3.21Å; Y872-V875 WeakPolarHBondContact O-CG2 3.34Å; Y872-V875 PolarHBondContact O-N 3.18Å
873	H	92.4	Very high	72.2	Confident	6 Å²	6	73.6 Å²	73.6	3%	0.028	38%	0.378	C	S	.	.	H	α-helix	trans	-67.7	-27.8	175.1	-57.9	155.1	0	0	0	112.7	K590 D594 R869 A870 V875 A902	K590-H873 PolarHBondContact O-NE2 3.2Å; D594-H873 IonicContact OD2-CE1 3.86Å; D594-H873 IonicContact OD2-NE2 3.6Å; D594-H873 PolarHBondContact OD2-NE2 3.12Å; R869-H873 PolarHBondContact O-N 3.09Å; R869-H873 VanDerWaalsContact O-N 3.13Å; A870-H873 WeakPolarHBondContact O-CB 3.27Å; A870-H873 PolarHBondContact O-N 3.43Å; A870-H873 VanDerWaalsContact O-N 3.11Å; H873-V875 VanDerWaalsContact C-N 3.3Å; H873-V875 PolarHBondContact O-N 3.17Å; H873-A902 WeakPolarHBondContact CB-O 3.21Å
874	L	88.3	Confident	68.8	Low	30 Å²	30	76.6 Å²	76.6	16%	0.157	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	8.4	175.8	-68.6	175.4	0	0	0	114.9	P666 I668 I688 A870 Y872 D876 M899 A902 V903	P666-L874 HydrophobicContact CG-CD1 4.29Å; I668-L874 HydrophobicContact CD1-CD1 3.83Å; I668-L874 HydrophobicContact CG1-CD1 4.27Å; I688-L874 HydrophobicContact CG2-CD1 4.26Å; A870-L874 WeakPolarHBondContact O-CG 3.31Å; A870-L874 PolarHBondContact O-N 3.23Å; A870-L874 VanDerWaalsContact O-N 3.08Å; Y872-L874 VanDerWaalsContact C-N 3.27Å; Y872-L874 PolarHBondContact O-N 3.21Å; L874-D876 PolarHBondContact O-N 2.82Å; L874-D876 VanDerWaalsContact O-N 3.15Å; L874-M899 HydrophobicContact CD2-CB 3.81Å; L874-M899 HydrophobicContact CD2-CG 3.99Å; L874-A902 HydrophobicContact CD2-CB 3.98Å; L874-V903 HydrophobicContact CD1-CG1 4.01Å; L874-V903 HydrophobicContact CD2-CG1 3.82Å; L874-V903 HydrophobicContact CG-CG1 3.69Å
875	V	81.2	Confident	65.5	Low	85 Å²	85	80.3 Å²	80.3	52%	0.515	44%	0.44	S	S	.	.			trans	-77.1	103.4	176.6	178.6	0	0	0	0	108.4	A587 Y872 H873	A587-V875 HydrophobicContact CB-CB 4.26Å; A587-V875 HydrophobicContact CB-CG2 4.33Å; Y872-V875 WeakPolarHBondContact O-CG2 3.34Å; Y872-V875 PolarHBondContact O-N 3.18Å; H873-V875 VanDerWaalsContact C-N 3.3Å; H873-V875 PolarHBondContact O-N 3.17Å
876	D	66.4	Low	62.1	Low	110 Å²	110	88.1 Å²	88.1	59%	0.588	48%	0.476	S	S	*	.			trans	-63.9	142.9	174.9	-81.8	-36.4	0	0	0	112	L874 D878	L874-D876 PolarHBondContact O-N 2.82Å; L874-D876 VanDerWaalsContact O-N 3.15Å; D876-D878 PolarHBondContact O-N 2.66Å
877	R	52.6	Low	58.9	Low	175 Å²	175	93.1 Å²	93.1	66%	0.66	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-67.6	-22	171.1	-73.9	-174.3	67.8	-176.3	0.1	112.6
878	D	39.3	Very low	55.8	Low	129 Å²	129	98.7 Å²	98.7	69%	0.69	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-99.1	4	-159.8	-61.2	-30.6	0	0	0	115.3	D876	D876-D878 PolarHBondContact O-N 2.66Å
879	H	40.6	Very low	53.1	Low	166 Å²	166	98.5 Å²	98.5	77%	0.769	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-94.6	6.3	-177.1	-92.8	-45.5	0	0	0	116.6
880	D	29.9	Very low	50.3	Low	169 Å²	169	102.4 Å²	102.4	90%	0.904	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-98	0.7	170.3	-103.9	-13.6	0	0	0	113.8
881	S	25.5	Very low	48.1	Very low	101 Å²	101	105.4 Å²	105.4	71%	0.706	61%	0.614	S	S	*	*	S	Bend	trans	-97	112.3	171.5	-58	0	0	0	0	109.3
882	G	26.6	Very low	46.3	Very low	69 Å²	69	111.7 Å²	111.7	71%	0.711	65%	0.645	S	S	*	*			trans	4.2	129.4	173.4	0	0	0	0	0	119.9	G884	G882-G884 PolarHBondContact O-N 3.07Å
883	E	27.3	Very low	44.4	Very low	212 Å²	212	114.3 Å²	114.3	99%	0.991	66%	0.661	S	S	*	*	S	Bend	trans	-45.6	101.3	158.7	-75.2	178.3	154.2	0	0	110.1
884	G	25.9	Very low	42.8	Very low	64 Å²	64	118 Å²	118	66%	0.66	69%	0.685	S	S	*	*			trans	176.3	60	-174.5	0	0	0	0	0	112.1	G882	G882-G884 PolarHBondContact O-N 3.07Å
885	S	25.8	Very low	42.1	Very low	116 Å²	116	119.4 Å²	119.4	81%	0.811	69%	0.694	S	S	*	*			trans	160.7	119.2	143.1	-72.4	0	0	0	0	109	P887	S885-P887 WeakPolarHBondContact O-CD 3.26Å
886	Q	26	Very low	41.8	Very low	176 Å²	176	118.4 Å²	118.4	82%	0.822	69%	0.685	S	S	*	*			trans	-68.4	123.8	160.6	-69.6	-161.5	-16.3	0	0	107.2	S888	Q886-S888 PolarHBondContact O-N 3.47Å
887	P	29.9	Very low	42.5	Very low	106 Å²	106	116 Å²	116	69%	0.688	68%	0.677	S	S	*	*			trans	-72.7	93.2	159.5	22.6	-13.6	0	0	0	106	S885 G889	S885-P887 WeakPolarHBondContact O-CD 3.26Å; P887-G889 VanDerWaalsContact C-N 3.35Å; P887-G889 PolarHBondContact O-N 2.74Å
888	S	29.9	Very low	43.8	Very low	117 Å²	117	111 Å²	111	82%	0.818	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	97.9	160	50.3	0	0	0	0	107.1	Q886	Q886-S888 PolarHBondContact O-N 3.47Å
889	G	35.9	Very low	46	Very low	75 Å²	75	106.8 Å²	106.8	77%	0.773	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	152	-11.9	167.5	0	0	0	0	0	119	P887	P887-G889 VanDerWaalsContact C-N 3.35Å; P887-G889 PolarHBondContact O-N 2.74Å
890	T	35.7	Very low	48.1	Very low	93 Å²	93	100.9 Å²	100.9	57%	0.571	63%	0.625	S	S	*	*			trans	-89.6	113.2	176.2	40.9	0	0	0	0	110.7
891	S	48.5	Very low	50.8	Low	64 Å²	64	101.5 Å²	101.5	45%	0.448	62%	0.615	S	S	.	*			trans	-56.9	144.2	175.7	59.6	0	0	0	0	111	E893 T894 T895	S891-E893 PolarHBondContact O-N 2.94Å; S891-E893 VanDerWaalsContact O-N 3.12Å; S891-T894 PolarHBondContact O-N 3.18Å; S891-T894 PolarHBondContact OG-OG1 3.18Å; S891-T895 PolarHBondContact O-N 3.32Å; S891-T895 PolarHBondContact O-OG1 2.84Å
892	E	52.9	Low	53.7	Low	175 Å²	175	98.4 Å²	98.4	82%	0.818	60%	0.595	S	S	*	*	H	α-helix	trans	-53.5	-33.8	-179.6	-70.2	-170.8	152.7	0	0	112.2	T895 M896	E892-T895 WeakPolarHBondContact O-CB 3.17Å; E892-T895 PolarHBondContact O-N 2.99Å; E892-M896 PolarHBondContact O-N 3.12Å
893	E	52.5	Low	56.8	Low	162 Å²	162	95.2 Å²	95.2	76%	0.757	56%	0.562	S	S	*	*	H	α-helix	trans	-63.2	-42.7	177.1	-72.1	-173.5	154.5	0	0	113.5	S891 T895 M896 S897	S891-E893 PolarHBondContact O-N 2.94Å; S891-E893 VanDerWaalsContact O-N 3.12Å; E893-T895 PolarHBondContact O-N 2.8Å; E893-M896 PolarHBondContact O-N 3.08Å; E893-S897 PolarHBondContact O-N 2.98Å
894	T	57.5	Low	59.9	Low	85 Å²	85	91.8 Å²	91.8	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-62.7	-33.8	178.3	-35.8	0	0	0	0	110.6	S891 S898	S891-T894 PolarHBondContact O-N 3.18Å; S891-T894 PolarHBondContact OG-OG1 3.18Å; T894-S898 PolarHBondContact O-N 3.15Å
895	T	74.2	Confident	63.1	Low	58 Å²	58	89.2 Å²	89.2	36%	0.356	52%	0.517	S	S	.	.	H	α-helix	trans	-74	-39.4	179.2	-41.6	0	0	0	0	111.5	S891 E892 E893 S898 M899	S891-T895 PolarHBondContact O-N 3.32Å; S891-T895 PolarHBondContact O-OG1 2.84Å; E892-T895 WeakPolarHBondContact O-CB 3.17Å; E892-T895 PolarHBondContact O-N 2.99Å; E893-T895 PolarHBondContact O-N 2.8Å; T895-S898 PolarHBondContact O-OG 3.24Å; T895-M899 HydrophobicContact CG2-CE 4.04Å; T895-M899 WeakPolarHBondContact O-CB 3.31Å; T895-M899 WeakPolarHBondContact O-CE 3.44Å; T895-M899 VanDerWaalsContact O-CG 3.31Å; T895-M899 WeakPolarHBondContact O-CG 3.38Å; T895-M899 PolarHBondContact O-N 3.08Å; T895-M899 VanDerWaalsContact O-N 3.15Å
896	M	75.8	Confident	66.4	Low	64 Å²	64	85.6 Å²	85.6	32%	0.315	49%	0.488	S	S	.	.	H	α-helix	trans	-65.9	-43.8	173.5	-76.7	-74.2	-97.3	0	0	111.5	P666 I688 E892 E893 S898 M899 A900	P666-M896 HydrophobicContact CB-SD 4.18Å; I688-M896 HydrophobicContact CD1-CB 4.25Å; I688-M896 HydrophobicContact CD1-CE 4.36Å; I688-M896 WeakPolarHBondContact CD1-O 3.04Å; I688-M896 HydrophobicContact CD1-SD 3.67Å; E892-M896 PolarHBondContact O-N 3.12Å; E893-M896 PolarHBondContact O-N 3.08Å; M896-S898 VanDerWaalsContact C-N 3.34Å; M896-S898 PolarHBondContact O-N 3.43Å; M896-M899 HydrophobicContact CG-CE 4.26Å; M896-M899 PolarHBondContact O-N 3.27Å; M896-M899 HydrophobicContact SD-CE 3.79Å; M896-A900 WeakPolarHBondContact O-CB 3.15Å; M896-A900 PolarHBondContact O-N 2.96Å
897	S	79.4	Confident	69.4	Low	61 Å²	61	81.7 Å²	81.7	43%	0.427	48%	0.477	S	S	.	.	H	α-helix	trans	-60.5	-41.3	178.9	-172.2	0	0	0	0	112.8	E893 A900 R901	E893-S897 PolarHBondContact O-N 2.98Å; S897-A900 PolarHBondContact O-N 2.92Å; S897-R901 PolarHBondContact O-N 3.4Å; S897-R901 VanDerWaalsContact O-N 3.15Å
898	S	81.5	Confident	72.2	Confident	69 Å²	69	80.9 Å²	80.9	48%	0.483	47%	0.467	S	S	.	.	H	α-helix	trans	-65.1	-43.6	175.6	72.1	0	0	0	0	112.1	T894 T895 M896 A900 R901 A902	T894-S898 PolarHBondContact O-N 3.15Å; T895-S898 PolarHBondContact O-OG 3.24Å; M896-S898 VanDerWaalsContact C-N 3.34Å; M896-S898 PolarHBondContact O-N 3.43Å; S898-A900 VanDerWaalsContact C-N 3.28Å; S898-A900 PolarHBondContact O-N 3.27Å; S898-R901 PolarHBondContact O-N 2.76Å; S898-A902 PolarHBondContact O-N 3.15Å
899	M	83.7	Confident	74.9	Confident	40 Å²	40	75.5 Å²	75.5	20%	0.197	43%	0.43	C	S	.	.	H	α-helix	trans	-62.9	-34.6	175.4	-73.5	-170.9	-72.8	0	0	112.1	P666 I688 L874 T895 M896 A902 V903	P666-M899 HydrophobicContact CG-CE 4.19Å; P666-M899 HydrophobicContact CG-SD 3.75Å; I688-M899 HydrophobicContact CD1-CB 3.56Å; L874-M899 HydrophobicContact CD2-CB 3.81Å; L874-M899 HydrophobicContact CD2-CG 3.99Å; T895-M899 HydrophobicContact CG2-CE 4.04Å; T895-M899 WeakPolarHBondContact O-CB 3.31Å; T895-M899 WeakPolarHBondContact O-CE 3.44Å; T895-M899 VanDerWaalsContact O-CG 3.31Å; T895-M899 WeakPolarHBondContact O-CG 3.38Å; T895-M899 PolarHBondContact O-N 3.08Å; T895-M899 VanDerWaalsContact O-N 3.15Å; M896-M899 HydrophobicContact CG-CE 4.26Å; M896-M899 PolarHBondContact O-N 3.27Å; M896-M899 HydrophobicContact SD-CE 3.79Å; M899-A902 PolarHBondContact O-N 3.02Å; M899-V903 PolarHBondContact O-N 2.61Å
900	A	86.1	Confident	77.1	Confident	42 Å²	42	74.7 Å²	74.7	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-66.7	-40.9	178.1	0	0	0	0	0	111.2	I688 M896 S897 S898 A902 V903 Q904	I688-A900 HydrophobicContact CD1-CB 3.9Å; I688-A900 HydrophobicContact CG1-CB 3.99Å; M896-A900 WeakPolarHBondContact O-CB 3.15Å; M896-A900 PolarHBondContact O-N 2.96Å; S897-A900 PolarHBondContact O-N 2.92Å; S898-A900 VanDerWaalsContact C-N 3.28Å; S898-A900 PolarHBondContact O-N 3.27Å; A900-A902 VanDerWaalsContact C-N 3.33Å; A900-V903 VanDerWaalsContact O-CG2 3.22Å; A900-V903 WeakPolarHBondContact O-CG2 3.42Å; A900-V903 PolarHBondContact O-N 3.4Å; A900-Q904 PolarHBondContact O-N 2.87Å
901	R	86	Confident	79.1	Confident	183 Å²	183	73.5 Å²	73.5	69%	0.691	40%	0.403	S	S	*	.	H	α-helix	trans	-64.7	-37.2	172.8	-68.3	-179.5	-172.4	177.5	2.1	112.1	S897 S898 V903 Q904	S897-R901 PolarHBondContact O-N 3.4Å; S897-R901 VanDerWaalsContact O-N 3.15Å; S898-R901 PolarHBondContact O-N 2.76Å; R901-V903 VanDerWaalsContact C-N 3.27Å; R901-V903 PolarHBondContact O-N 3.18Å; R901-Q904 WeakPolarHBondContact O-CB 3.29Å; R901-Q904 PolarHBondContact O-N 3.44Å; R901-Q904 VanDerWaalsContact O-N 3.16Å
902	A	87.6	Confident	81	Confident	35 Å²	35	71.9 Å²	71.9	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-64.7	-28.2	-178.6	0	0	0	0	0	113.7	H873 L874 S898 M899 A900	H873-A902 WeakPolarHBondContact CB-O 3.21Å; L874-A902 HydrophobicContact CD2-CB 3.98Å; S898-A902 PolarHBondContact O-N 3.15Å; M899-A902 PolarHBondContact O-N 3.02Å; A900-A902 VanDerWaalsContact C-N 3.33Å
903	V	91.4	Very high	83.1	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-90.1	-8.7	176.7	-59.7	0	0	0	0	113.6	V686 I688 A870 L874 M899 A900 R901 V905	V686-V903 HydrophobicContact CG1-CB 4.18Å; V686-V903 HydrophobicContact CG1-CG2 4.3Å; V686-V903 WeakPolarHBondContact CG1-O 3.48Å; I688-V903 HydrophobicContact CG2-CG1 4.09Å; I688-V903 HydrophobicContact CG2-CG2 4.11Å; A870-V903 HydrophobicContact CB-CB 4.11Å; A870-V903 HydrophobicContact CB-CG1 3.82Å; L874-V903 HydrophobicContact CD1-CG1 4.01Å; L874-V903 HydrophobicContact CD2-CG1 3.82Å; L874-V903 HydrophobicContact CG-CG1 3.69Å; M899-V903 PolarHBondContact O-N 2.61Å; A900-V903 VanDerWaalsContact O-CG2 3.22Å; A900-V903 WeakPolarHBondContact O-CG2 3.42Å; A900-V903 PolarHBondContact O-N 3.4Å; R901-V903 VanDerWaalsContact C-N 3.27Å; R901-V903 PolarHBondContact O-N 3.18Å; V903-V905 PolarHBondContact O-N 3.11Å
904	Q	91.7	Very high	85.2	Confident	139 Å²	139	56.6 Å²	56.6	65%	0.65	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-72.8	119.9	178	-168.5	171	9.9	0	0	109.6	T595 A900 R901	T595-Q904 WeakPolarHBondContact CB-O 3.22Å; A900-Q904 PolarHBondContact O-N 2.87Å; R901-Q904 WeakPolarHBondContact O-CB 3.29Å; R901-Q904 PolarHBondContact O-N 3.44Å; R901-Q904 VanDerWaalsContact O-N 3.16Å
905	V	93.1	Very high	87	Confident	10 Å²	10	52.7 Å²	52.7	6%	0.061	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-82.9	155.5	178.8	-61.2	0	0	0	0	111.5	D594 T595 V903 A909 N910 Y914	D594-V905 HydrophobicContact CB-CG1 4.46Å; D594-V905 WeakPolarHBondContact O-CB 3.48Å; T595-V905 HydrophobicContact CG2-CG1 4.42Å; V903-V905 PolarHBondContact O-N 3.11Å; V905-A909 HydrophobicContact CB-CB 4.28Å; V905-N910 WeakPolarHBondContact CG2-OD1 3.18Å; V905-Y914 HydrophobicContact CG1-CD2 4.38Å; V905-Y914 HydrophobicContact CG1-CE1 4.11Å; V905-Y914 HydrophobicContact CG1-CE2 3.72Å; V905-Y914 HydrophobicContact CG2-CE1 4.32Å
906	H	94	Very high	87.9	Confident	41 Å²	41	50 Å²	50	19%	0.19	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-59.2	143.6	176.9	-170	-88.6	0	0	0	110.3	D594 I596 D908 A909 N910	D594-H906 WeakPolarHBondContact O-CB 3.45Å; D594-H906 PolarHBondContact O-N 3.31Å; I596-H906 PolarHBondContact O-CD2 3.13Å; H906-D908 VanDerWaalsContact C-N 3.26Å; H906-D908 IonicContact CE1-OD2 3.49Å; H906-D908 PolarHBondContact CE1-OD2 3.34Å; H906-D908 PolarHBondContact ND1-N 3.06Å; H906-D908 IonicContact ND1-OD2 2.71Å; H906-D908 PolarHBondContact ND1-OD2 3.3Å; H906-D908 PolarHBondContact O-N 3.44Å; H906-D908 VanDerWaalsContact O-N 3.17Å; H906-A909 HydrophobicContact CB-CB 4.43Å; H906-A909 WeakPolarHBondContact O-CA 3.3Å; H906-A909 WeakPolarHBondContact O-CB 3.13Å; H906-A909 PolarHBondContact O-N 3.39Å; H906-N910 PolarHBondContact O-N 3.46Å
907	P	90	Very high	88.5	Confident	94 Å²	94	49.3 Å²	49.3	61%	0.61	28%	0.276	S	S	*	.	H	α-helix	trans	-50.3	-42.2	179.4	-30.6	36.2	0	0	0	114.3	A909 N910	P907-A909 VanDerWaalsContact C-N 3.27Å; P907-A909 PolarHBondContact O-N 2.94Å; P907-N910 WeakPolarHBondContact O-CB 3.46Å; P907-N910 PolarHBondContact O-N 3.2Å; P907-N910 VanDerWaalsContact O-N 3.12Å
908	D	87.8	Confident	89	Confident	88 Å²	88	48.7 Å²	48.7	47%	0.471	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-35.9	176.8	-59.2	-17.5	0	0	0	112.6	H906 N910 S911	H906-D908 VanDerWaalsContact C-N 3.26Å; H906-D908 IonicContact CE1-OD2 3.49Å; H906-D908 PolarHBondContact CE1-OD2 3.34Å; H906-D908 PolarHBondContact ND1-N 3.06Å; H906-D908 IonicContact ND1-OD2 2.71Å; H906-D908 PolarHBondContact ND1-OD2 3.3Å; H906-D908 PolarHBondContact O-N 3.44Å; H906-D908 VanDerWaalsContact O-N 3.17Å; D908-N910 VanDerWaalsContact C-N 3.32Å; D908-N910 PolarHBondContact O-N 3.01Å; D908-S911 PolarHBondContact O-N 2.98Å; D908-S911 PolarHBondContact O-OG 3.42Å
909	A	87.4	Confident	89.4	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-71.8	-24.7	178.2	0	0	0	0	0	112.7	V905 H906 P907 S911 V912	V905-A909 HydrophobicContact CB-CB 4.28Å; H906-A909 HydrophobicContact CB-CB 4.43Å; H906-A909 WeakPolarHBondContact O-CA 3.3Å; H906-A909 WeakPolarHBondContact O-CB 3.13Å; H906-A909 PolarHBondContact O-N 3.39Å; P907-A909 VanDerWaalsContact C-N 3.27Å; P907-A909 PolarHBondContact O-N 2.94Å; A909-S911 PolarHBondContact O-N 3.47Å; A909-V912 WeakPolarHBondContact O-CG2 2.97Å; A909-V912 PolarHBondContact O-N 3.03Å
910	N	82.5	Confident	89.7	Confident	58 Å²	58	48 Å²	48	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-21.2	175.8	-77.6	-40.2	0	0	0	113.3	Q709 V905 H906 P907 D908 V912	Q709-N910 PolarHBondContact NE2-O 2.71Å; V905-N910 WeakPolarHBondContact CG2-OD1 3.18Å; H906-N910 PolarHBondContact O-N 3.46Å; P907-N910 WeakPolarHBondContact O-CB 3.46Å; P907-N910 PolarHBondContact O-N 3.2Å; P907-N910 VanDerWaalsContact O-N 3.12Å; D908-N910 VanDerWaalsContact C-N 3.32Å; D908-N910 PolarHBondContact O-N 3.01Å; N910-V912 VanDerWaalsContact C-N 3.32Å
911	S	78.4	Confident	89.9	Confident	67 Å²	67	48.4 Å²	48.4	47%	0.469	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.9	-179.7	73.7	0	0	0	0	113.6	R681 D908 A909	R681-S911 PolarHBondContact NH2-O 3.26Å; D908-S911 PolarHBondContact O-N 2.98Å; D908-S911 PolarHBondContact O-OG 3.42Å; A909-S911 PolarHBondContact O-N 3.47Å
912	V	87.8	Confident	90.2	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.182	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	165.8	-174.2	-65.6	0	0	0	0	111.8	K627 A909 N910 Y914	K627-V912 WeakPolarHBondContact O-CB 3.05Å; A909-V912 WeakPolarHBondContact O-CG2 2.97Å; A909-V912 PolarHBondContact O-N 3.03Å; N910-V912 VanDerWaalsContact C-N 3.32Å; V912-Y914 VanDerWaalsContact C-N 3.28Å; V912-Y914 PolarHBondContact O-N 2.82Å
913	M	96.5	Very high	90.4	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.03	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	64	179.1	-68.6	174.6	71.8	0	0	111.1	V626 Y682 V848 Y862 F915 A916	V626-M913 HydrophobicContact CG1-CB 3.52Å; V626-M913 HydrophobicContact CG1-CE 4.16Å; V626-M913 HydrophobicContact CG1-CG 4.07Å; V626-M913 HydrophobicContact CG1-SD 3.57Å; V626-M913 VanDerWaalsContact CG1-SD 3.57Å; Y682-M913 HydrophobicContact CD2-CE 4.41Å; Y682-M913 PolarHBondContact N-SD 2.87Å; Y682-M913 WeakPolarHBondContact O-CG 3.32Å; V848-M913 HydrophobicContact CG2-CE 4.12Å; Y862-M913 HydrophobicContact CD1-CE 4.28Å; Y862-M913 HydrophobicContact CD2-CE 4.07Å; Y862-M913 HydrophobicContact CE1-CE 3.89Å; Y862-M913 HydrophobicContact CE2-CE 3.68Å; Y862-M913 HydrophobicContact CG-CE 4.37Å; M913-F915 HydrophobicContact CB-CE1 4.16Å; M913-F915 HydrophobicContact CB-CE2 4.22Å; M913-F915 HydrophobicContact CB-CZ 3.89Å; M913-F915 HydrophobicContact CE-CE2 3.71Å; M913-F915 HydrophobicContact CE-CZ 3.84Å; M913-F915 HydrophobicContact CG-CE1 4.24Å; M913-F915 HydrophobicContact CG-CE2 4.36Å; M913-F915 HydrophobicContact CG-CZ 3.75Å; M913-F915 PolarHBondContact O-N 3.42Å; M913-F915 VanDerWaalsContact O-N 3.07Å; M913-A916 HydrophobicContact CB-CB 4.35Å; M913-A916 WeakPolarHBondContact O-CB 3.17Å; M913-A916 PolarHBondContact O-N 3.35Å
914	Y	96	Very high	90.3	Very high	11 Å²	11	42.5 Å²	42.5	4%	0.043	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.7	-178.2	72.2	-82.5	0	0	0	113.2	D594 A684 R869 V905 V912 A916	D594-Y914 HydrophobicContact CB-CD2 3.99Å; A684-Y914 HydrophobicContact CB-CE1 4.19Å; R869-Y914 HydrophobicContact CB-CE2 4.44Å; R869-Y914 HydrophobicContact CG-CD2 4.15Å; R869-Y914 HydrophobicContact CG-CE2 3.7Å; R869-Y914 VanDerWaalsContact CZ-O 3.3Å; R869-Y914 PolarHBondContact NH1-O 2.98Å; R869-Y914 PolarHBondContact NH2-O 3.23Å; V905-Y914 HydrophobicContact CG1-CD2 4.38Å; V905-Y914 HydrophobicContact CG1-CE1 4.11Å; V905-Y914 HydrophobicContact CG1-CE2 3.72Å; V905-Y914 HydrophobicContact CG2-CE1 4.32Å; V912-Y914 VanDerWaalsContact C-N 3.28Å; V912-Y914 PolarHBondContact O-N 2.82Å; Y914-A916 PolarHBondContact O-N 2.92Å
915	F	95.9	Very high	90.2	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.7	178.8	53.5	-95.2	0	0	0	114.3	A684 Y862 L865 V866 R869 M913	A684-F915 HydrophobicContact CB-CD1 3.94Å; A684-F915 HydrophobicContact CB-CE1 3.71Å; Y862-F915 HydrophobicContact CD1-CD2 4.37Å; Y862-F915 AromaticContact CD1-CE2 3.78Å; Y862-F915 HydrophobicContact CD1-CE2 3.78Å; Y862-F915 HydrophobicContact CD2-CE2 4.43Å; Y862-F915 AromaticContact CG-CE2 3.71Å; Y862-F915 HydrophobicContact CG-CE2 3.71Å; Y862-F915 HydrophobicContact CG-CZ 4.45Å; L865-F915 HydrophobicContact CB-CB 4.35Å; L865-F915 HydrophobicContact CB-CD2 4.33Å; V866-F915 HydrophobicContact CG2-CB 3.8Å; V866-F915 HydrophobicContact CG2-CD1 3.42Å; V866-F915 VanDerWaalsContact CG2-CD1 3.42Å; V866-F915 HydrophobicContact CG2-CD2 4.12Å; V866-F915 HydrophobicContact CG2-CE1 3.97Å; V866-F915 HydrophobicContact CG2-CG 3.5Å; R869-F915 PolarHBondContact NH2-O 2.83Å; M913-F915 HydrophobicContact CB-CE1 4.16Å; M913-F915 HydrophobicContact CB-CE2 4.22Å; M913-F915 HydrophobicContact CB-CZ 3.89Å; M913-F915 HydrophobicContact CE-CE2 3.71Å; M913-F915 HydrophobicContact CE-CZ 3.84Å; M913-F915 HydrophobicContact CG-CE1 4.24Å; M913-F915 HydrophobicContact CG-CE2 4.36Å; M913-F915 HydrophobicContact CG-CZ 3.75Å; M913-F915 PolarHBondContact O-N 3.42Å; M913-F915 VanDerWaalsContact O-N 3.07Å
916	A	92.7	Very high	89.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.008	22%	0.215	C	C	.	.			trans	-64.2	0	-175.6	0	0	0	0	0	115.9	K623 V626 K627 R849 M913 Y914	K623-A916 PolarHBondContact NZ-O 3.15Å; K623-A916 PolarHBondContact NZ-OXT 2.99Å; V626-A916 HydrophobicContact CG1-CB 3.97Å; K627-A916 WeakPolarHBondContact CE-O 3.41Å; K627-A916 HydrophobicContact CG-CB 4.38Å; K627-A916 PolarHBondContact NZ-O 2.86Å; R849-A916 WeakPolarHBondContact CD-OXT 3.28Å; R849-A916 WeakPolarHBondContact CG-OXT 3.22Å; R849-A916 PolarHBondContact NE-OXT 3.35Å; M913-A916 HydrophobicContact CB-CB 4.35Å; M913-A916 WeakPolarHBondContact O-CB 3.17Å; M913-A916 PolarHBondContact O-N 3.35Å; Y914-A916 PolarHBondContact O-N 2.92Å

Retrieved 916 of 916 residues in 1276.1 ms (Link to these results)

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