A0A5K4FA14_SCHMA Loading...

RING-CH-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FA14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 932 aa.

						>A0A5K4FA14_SCHMA|A0A5K4FA14
MSEDQRITNRLTYPLSYLTNINEDTKGELVHSIIDFQQYHQKQEQSIHTCAVPINVCCVCSNESDPQLLHSNVQVLCATPGCKYSGPIHRKCLEHWDACCDFYCHLLNNSFNNSLLQTSSTFDTTSTIKPNVSSPSSPSSSTSILSNFNDSPLHKSFMEGLFRLYECPACNQYTLYRSSIHSTVTSTSNVTGQTPQTLSSTPSNHFTSVLCAIQYATEKLNQSENPLQSTLLQSDPFSQCKQYTSNSPVDCIGSMELLPNFLDDLKSQSKMPITNSSTTVRSHSYVQPPLITDRFSDILRRFSLSRDTNDPTKFSTSNTSSSMSSGYHSGLSTGEHTVDPSRRCSDNSYDQFMFSMKGDDLMKANEENSIPWGMTNIQTGQSIPRALIKGATINNPIKLPNDAAVLNDVTKYSIDSSTPTTRKSYSSTVNLDDLFDRSLDTTVNNNTTNNNDNNNSIGNINLMNRPLSAIGSRRHHSTSDGTGNISSSTIGCTTNTTTTTTSTTNTNTAYHHNVKSNTTWSNDSISKSRMTHWHGNNNVETKMKKVVNTKGNIFLQRHDFNVFMNLPNHKQNAYFIQMDDDSCTGNEDTRAFLLAQLTNHRVSEVYCLACQEILPIYDHFPVIDGIFFISPLCHRSNEGHRKGGGLRVTWHTNGIQNQSVQQQQQQTHRAHNTTTTNNNDNSSIGNHLVSSTNDYQSINEIALKLLAPLKIISPPPGCLGPRQQLNSTQHNMINTGALGGGGSSQGAGSNNSNNSIPSRFSTNHSSTRQCRYLHALCMNCMHSVNLVATSQVNDFKGIRCKICSKPWSGTSLLVGGLYTYDIFAAVPCCSAHLTCGSCQSRLDNLSISSNSTLSPPQPQPPPPTNTLQLSLNDLPHQHQYHDPDQLSMNNDLKIKSYPLNYFSQYSNLIICPYCSKVDYHFVKLFEDFYEIL
					

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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	32.5	Very low	28.7	Very low	229 Å²	229	158 Å²	158	100%	1.128	77%	0.774	S	S	*	*				0	113.9	0	-65.7	-88.5	66.9	0	0	105.5
2	S	35.1	Very low	28.4	Very low	98 Å²	98	155.4 Å²	155.4	69%	0.685	77%	0.774	S	S	*	*			trans	54.2	94.3	179.2	-51.1	0	0	0	0	115.4
3	E	27.8	Very low	28	Very low	169 Å²	169	157.7 Å²	157.7	79%	0.79	77%	0.77	S	S	*	*				67	121.8	67.6	-57.6	155.3	136.4	0	0	110.7
4	D	29.9	Very low	28.1	Very low	123 Å²	123	155.6 Å²	155.6	66%	0.658	78%	0.775	S	S	*	*			cis	-154.9	171.3	4.5	-140.5	-30.9	0	0	0	114.6
5	Q	29.3	Very low	28	Very low	150 Å²	150	155.5 Å²	155.5	70%	0.701	78%	0.777	S	S	*	*			trans	31	102.3	162	-72	141.3	57	0	0	118.8
6	R	26.8	Very low	27.9	Very low	221 Å²	221	151.5 Å²	151.5	83%	0.834	77%	0.768	S	S	*	*				76.9	116.9	70.8	-76.6	-173.9	175.3	-164.5	1.2	116.2
7	I	27.3	Very low	27.9	Very low	144 Å²	144	154.2 Å²	154.2	74%	0.738	77%	0.769	S	S	*	*			trans	60.1	111.9	133.8	-56.5	166.7	0	0	0	115.6
8	T	27.3	Very low	27.9	Very low	117 Å²	117	152.7 Å²	152.7	72%	0.718	76%	0.763	S	S	*	*			cis	-143.7	145.2	43.7	34.3	0	0	0	0	116.2
9	N	28	Very low	27.8	Very low	142 Å²	142	150.5 Å²	150.5	76%	0.759	76%	0.758	S	S	*	*			trans	19.8	134.1	138.8	-56.2	-20	0	0	0	121.9
10	R	25	Very low	27.8	Very low	211 Å²	211	151.1 Å²	151.1	80%	0.796	76%	0.764	S	S	*	*			cis	92.6	139.5	34.7	-88.3	-166.7	160.9	-127.8	-0.3	116.1
11	L	26.4	Very low	27.7	Very low	134 Å²	134	150.5 Å²	150.5	70%	0.702	76%	0.761	S	S	*	*			trans	73.4	109.7	160.3	-63.4	157.5	0	0	0	114.6
12	T	25.2	Very low	27.6	Very low	127 Å²	127	147.3 Å²	147.3	78%	0.779	75%	0.749	S	S	*	*			cis	80.7	129.4	34.8	-42.4	0	0	0	0	113.8
13	Y	24	Very low	27.2	Very low	185 Å²	185	151.1 Å²	151.1	73%	0.725	76%	0.756	S	S	*	*			trans	-48.8	163.2	173.6	-73.9	-96	0	0	0	114
14	P	29.2	Very low	27.2	Very low	129 Å²	129	150.1 Å²	150.1	84%	0.838	76%	0.756	S	S	*	*				-130.1	147.3	106.1	36.8	-30.9	0	0	0	115.3
15	L	25.7	Very low	27.3	Very low	154 Å²	154	149.8 Å²	149.8	81%	0.806	76%	0.759	S	S	*	*			trans	-85.6	166.6	167.6	-166.1	78.2	0	0	0	110.2
16	S	26.8	Very low	27.1	Very low	91 Å²	91	153 Å²	153	64%	0.636	77%	0.77	S	S	*	*			trans	125.7	129.8	143.1	69.2	0	0	0	0	116.3
17	Y	29	Very low	27.1	Very low	198 Å²	198	146.3 Å²	146.3	78%	0.776	77%	0.77	S	S	*	*				-173.2	113.1	104.7	-113.6	-104.8	0	0	0	111.9
18	L	27.1	Very low	26.9	Very low	126 Å²	126	147.9 Å²	147.9	66%	0.66	78%	0.775	S	S	*	*			trans	55.6	101.9	133.7	-60.3	-166.1	0	0	0	120.6
19	T	26.1	Very low	26.8	Very low	111 Å²	111	149.9 Å²	149.9	68%	0.681	78%	0.78	S	S	*	*				67.9	113	88.9	61.9	0	0	0	0	116.8
20	N	27.2	Very low	26.7	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	78%	0.777	S	S	*	*				-161.5	150.5	110.1	-105.4	-18.5	0	0	0	114.3
21	I	26.3	Very low	26.8	Very low	139 Å²	139	147.3 Å²	147.3	71%	0.713	78%	0.78	S	S	*	*			trans	-84.4	147.8	-171.4	-23.4	174.7	0	0	0	110.9
22	N	30.4	Very low	26.7	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	77%	0.772	S	S	*	*				-164.5	139.9	119.4	-99.2	-8.2	0	0	0	110.2
23	E	26.3	Very low	26.8	Very low	177 Å²	177	146.5 Å²	146.5	83%	0.827	78%	0.776	S	S	*	*			trans	-88.5	143.4	175.8	-55.4	179	122.7	0	0	110
24	D	28.3	Very low	26.9	Very low	148 Å²	148	144.4 Å²	144.4	79%	0.791	78%	0.775	S	S	*	*			trans	-162.7	152	131.2	-129.4	-33.5	0	0	0	114.6
25	T	31.5	Very low	26.8	Very low	117 Å²	117	142.5 Å²	142.5	72%	0.718	76%	0.759	S	S	*	*			trans	56.6	70	162.2	55.4	0	0	0	0	120.7
26	K	26.3	Very low	27	Very low	216 Å²	216	144.3 Å²	144.3	94%	0.939	76%	0.76	S	S	*	*				45.1	119.6	129.5	-60	173.4	-179.1	173.1	0	120.3
27	G	25.4	Very low	27.1	Very low	81 Å²	81	147.8 Å²	147.8	84%	0.835	77%	0.766	S	S	*	*			trans	158.5	-47.1	134.3	0	0	0	0	0	116.7
28	E	24.5	Very low	27.1	Very low	177 Å²	177	145.7 Å²	145.7	83%	0.827	76%	0.763	S	S	*	*			trans	-130.1	154.4	-166.4	-62.1	-169.3	138.2	0	0	112.4
29	L	25.2	Very low	27.3	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	76%	0.755	S	S	*	*			trans	56.8	113.5	164.1	-66.2	160.8	0	0	0	117.9
30	V	24.9	Very low	27.5	Very low	114 Å²	114	147.4 Å²	147.4	69%	0.691	76%	0.756	S	S	*	*				166.8	109.2	127.5	156.5	0	0	0	0	107
31	H	27	Very low	27.6	Very low	186 Å²	186	147.3 Å²	147.3	86%	0.861	75%	0.75	S	S	*	*			trans	-158	35.6	150.7	-106.9	79.1	0	0	0	109.6
32	S	24.4	Very low	27.9	Very low	78 Å²	78	149.8 Å²	149.8	55%	0.545	76%	0.756	S	S	.	*	S	Bend	trans	-85.4	127.3	168.6	23.2	0	0	0	0	109
33	I	26.6	Very low	27.9	Very low	165 Å²	165	148.1 Å²	148.1	85%	0.846	74%	0.743	S	S	*	*	S	Bend	trans	68.3	36.7	158.3	-37.7	160.5	0	0	0	116
34	I	25.8	Very low	28.1	Very low	141 Å²	141	147.9 Å²	147.9	72%	0.723	74%	0.742	S	S	*	*	S	Bend	trans	-138	110.6	146.6	-59.7	87.5	0	0	0	108.8
35	D	28	Very low	28.4	Very low	90 Å²	90	150 Å²	150	48%	0.481	75%	0.747	S	S	.	*	S	Bend	trans	169.7	-14.6	144.1	-115.4	5.9	0	0	0	113.1	Q37 Q38 Y39	D35-Q37 PolarHBondContact O-N 2.86Å; D35-Q38 PolarHBondContact O-N 3.38Å; D35-Y39 PolarHBondContact O-N 3.5Å; D35-Y39 VanDerWaalsContact O-N 3.09Å
36	F	30.1	Very low	28.8	Very low	191 Å²	191	147.6 Å²	147.6	84%	0.838	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-11	-174.7	-123.7	-86.9	0	0	0	115.3
37	Q	29	Very low	29.5	Very low	164 Å²	164	142.6 Å²	142.6	77%	0.766	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-15.8	173.9	-72.1	-180	-33.7	0	0	114.5	D35	D35-Q37 PolarHBondContact O-N 2.86Å
38	Q	28.7	Very low	30.7	Very low	154 Å²	154	145 Å²	145	72%	0.72	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-22.9	175.9	-74.2	-165.4	-2.4	0	0	113.5	D35 H40	D35-Q38 PolarHBondContact O-N 3.38Å; Q38-H40 PolarHBondContact O-N 3.16Å
39	Y	30.7	Very low	32.4	Very low	122 Å²	122	140.7 Å²	140.7	48%	0.478	69%	0.692	S	S	.	*	G	3₁₀ helix	trans	-67	-19.8	175.5	-140.1	-96.3	0	0	0	113.5	D35 Q41 K83	D35-Y39 PolarHBondContact O-N 3.5Å; D35-Y39 VanDerWaalsContact O-N 3.09Å; Y39-Q41 VanDerWaalsContact C-N 3.26Å; Y39-Q41 PolarHBondContact O-N 2.88Å; Y39-K83 PolarHBondContact OH-NZ 2.97Å
40	H	31.4	Very low	34.4	Very low	151 Å²	151	133.8 Å²	133.8	70%	0.699	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-73.1	-5	-172.4	-117.6	-71.2	0	0	0	115.7	Q38	Q38-H40 PolarHBondContact O-N 3.16Å
41	Q	29.7	Very low	36.3	Very low	160 Å²	160	128.5 Å²	128.5	75%	0.748	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-115.5	16.2	-172.7	-70.8	-173.1	-30.8	0	0	114.9	Y39	Y39-Q41 VanDerWaalsContact C-N 3.26Å; Y39-Q41 PolarHBondContact O-N 2.88Å
42	K	30.7	Very low	38	Very low	191 Å²	191	119.9 Å²	119.9	83%	0.83	59%	0.586	S	S	*	*	S	Bend	trans	-136.2	12.9	-176.5	-79.5	-172.9	175.9	172.3	0	117.2
43	Q	31.1	Very low	39.7	Very low	128 Å²	128	117.9 Å²	117.9	60%	0.598	57%	0.571	S	S	*	*			trans	-140.7	52.4	176.3	-68.5	-165.6	-22.3	0	0	113.6	Q45	Q43-Q45 PolarHBondContact O-N 2.85Å
44	E	30.7	Very low	41	Very low	173 Å²	173	116.2 Å²	116.2	81%	0.808	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	37.5	-178.8	-59.1	-178.9	120.6	0	0	114.5
45	Q	34.3	Very low	42.3	Very low	193 Å²	193	116.5 Å²	116.5	90%	0.902	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.3	3.9	-168.6	-74.1	-169.7	-22	0	0	117.3	Q43	Q43-Q45 PolarHBondContact O-N 2.85Å
46	S	39.7	Very low	43.8	Very low	65 Å²	65	114.1 Å²	114.1	46%	0.455	55%	0.554	S	S	.	*	S	Bend	trans	-137	11.8	-178.5	65.8	0	0	0	0	116.4
47	I	42.6	Very low	45.2	Very low	111 Å²	111	105.1 Å²	105.1	57%	0.569	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.1	-174.4	-68.3	173.7	0	0	0	112.9
48	H	50.8	Low	46.7	Very low	132 Å²	132	99.4 Å²	99.4	61%	0.611	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	7.3	-168.4	-60.3	-68.3	0	0	0	115.5	W372	H48-W372 AromaticContact CE1-CH2 3.98Å
49	T	59.5	Low	48	Very low	86 Å²	86	92.6 Å²	92.6	53%	0.528	46%	0.461	S	S	.	.	S	Bend	trans	-116.4	134.1	-179.2	48.7	0	0	0	0	111.7
50	C	66	Low	48.9	Very low	15 Å²	15	90.4 Å²	90.4	10%	0.101	46%	0.463	C	S	.	.			trans	-58	141.5	172.3	-168.8	0	0	0	0	111.3	V52 C57 P87 H89	C50-V52 VanDerWaalsContact C-N 3.28Å; C50-V52 PolarHBondContact O-N 2.66Å; C50-C57 VanDerWaalsContact CB-SG 3.57Å; C50-P87 CarbonylContact C-O 3.57Å; C50-P87 WeakPolarHBondContact CA-O 3.49Å; C50-H89 WeakPolarHBondContact CB-ND1 3.23Å; C50-H89 PolarHBondContact SG-N 2.9Å; C50-H89 VanDerWaalsContact SG-N 3.41Å
51	A	65.4	Low	49.8	Very low	2 Å²	2	87 Å²	87	2%	0.017	46%	0.456	C	S	.	.	S	Bend	trans	-71.5	-21.7	179.1	0	0	0	0	0	114.2	V75 Y84 P87	A51-V75 HydrophobicContact CB-CB 3.95Å; A51-V75 HydrophobicContact CB-CG2 4.06Å; A51-Y84 VanDerWaalsContact CA-OH 3.22Å; A51-Y84 WeakPolarHBondContact CA-OH 3.41Å; A51-Y84 HydrophobicContact CB-CE1 4.33Å; A51-Y84 WeakPolarHBondContact CB-OH 3.24Å; A51-P87 PolarHBondContact N-O 3.33Å
52	V	62.9	Low	50.2	Low	6 Å²	6	85.7 Å²	85.7	4%	0.036	45%	0.454	C	S	.	.	S	Bend	trans	-72.9	131	170.2	172.7	0	0	0	0	108.9	C50 V56 C57 I88 C92 L164	C50-V52 VanDerWaalsContact C-N 3.28Å; C50-V52 PolarHBondContact O-N 2.66Å; V52-V56 HydrophobicContact CG1-CB 3.85Å; V52-V56 HydrophobicContact CG1-CG1 4.43Å; V52-C57 HydrophobicContact CG1-CB 4.34Å; V52-I88 HydrophobicContact CG2-CD1 3.76Å; V52-I88 HydrophobicContact CG2-CG1 4.17Å; V52-C92 HydrophobicContact CG2-CB 4.08Å; V52-L164 HydrophobicContact CG1-CD2 3.71Å; V52-L164 HydrophobicContact CG2-CD2 4.33Å
53	P	60	Low	50.5	Low	36 Å²	36	85.4 Å²	85.4	23%	0.234	46%	0.456	C	S	.	.			trans	-50.9	144.3	-179.9	-31	37.7	0	0	0	113.5	N55 V56 C57 R163	P53-N55 PolarHBondContact O-N 2.87Å; P53-V56 PolarHBondContact O-N 3.36Å; P53-C57 PolarHBondContact O-N 3.4Å; P53-R163 WeakPolarHBondContact CD-O 3.18Å; P53-R163 WeakPolarHBondContact CG-O 3.47Å
54	I	53.3	Low	50.8	Low	130 Å²	130	85.1 Å²	85.1	67%	0.667	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-39.1	-172.1	-61.4	171.8	0	0	0	112.1	V56	I54-V56 PolarHBondContact O-N 3.4Å
55	N	53.9	Low	51.6	Low	146 Å²	146	80.7 Å²	80.7	78%	0.781	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-9.8	-177.5	-54.1	-8.1	0	0	0	114.4	P53	P53-N55 PolarHBondContact O-N 2.87Å
56	V	59.1	Low	52.4	Low	41 Å²	41	76.5 Å²	76.5	25%	0.248	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-9.9	-177.1	-155.4	0	0	0	0	111.5	V52 P53 I54 C58 R163 L164	V52-V56 HydrophobicContact CG1-CB 3.85Å; V52-V56 HydrophobicContact CG1-CG1 4.43Å; P53-V56 PolarHBondContact O-N 3.36Å; I54-V56 PolarHBondContact O-N 3.4Å; V56-C58 PolarHBondContact O-N 2.91Å; V56-C58 VanDerWaalsContact O-N 3.17Å; V56-R163 HydrophobicContact CG2-CB 4.29Å; V56-L164 HydrophobicContact CB-CD2 4.25Å; V56-L164 HydrophobicContact CG1-CD2 3.5Å; V56-L164 HydrophobicContact CG1-CG 4.11Å
57	C	60.7	Low	52.9	Low	1 Å²	1	81.8 Å²	81.8	1%	0.007	46%	0.457	C	S	.	.			trans	-71.4	106.8	-179	177.9	0	0	0	0	111.6	C50 V52 P53 V59 C60 S61 H89	C50-C57 VanDerWaalsContact CB-SG 3.57Å; V52-C57 HydrophobicContact CG1-CB 4.34Å; P53-C57 PolarHBondContact O-N 3.4Å; C57-V59 PolarHBondContact O-N 3.14Å; C57-C60 HydrophobicContact CB-CB 3.99Å; C57-C60 PolarHBondContact O-N 3.33Å; C57-C60 PolarHBondContact SG-SG 3.28Å; C57-S61 PolarHBondContact O-N 3.34Å; C57-S61 PolarHBondContact O-OG 3.33Å; C57-H89 PolarHBondContact SG-ND1 3.34Å
58	C	59.9	Low	53.3	Low	45 Å²	45	79.4 Å²	79.4	30%	0.304	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	1.8	-175.7	-36.3	0	0	0	0	116.5	V56 K91 C92 H95	V56-C58 PolarHBondContact O-N 2.91Å; V56-C58 VanDerWaalsContact O-N 3.17Å; C58-K91 HydrophobicContact CB-CB 4.32Å; C58-C92 PolarHBondContact N-SG 3.11Å; C58-H95 VanDerWaalsContact SG-CD2 3.59Å
59	V	54.8	Low	53.4	Low	11 Å²	11	75.2 Å²	75.2	7%	0.067	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-40.4	174.6	-174.8	0	0	0	0	110.7	C57 S61 N62 L68 H89 K91	C57-V59 PolarHBondContact O-N 3.14Å; V59-S61 PolarHBondContact O-N 2.61Å; V59-N62 CarbonylContact O-C 3.57Å; V59-N62 PolarHBondContact O-N 3.34Å; V59-L68 HydrophobicContact CG1-CD1 3.89Å; V59-L68 HydrophobicContact CG2-CD1 4.47Å; V59-H89 HydrophobicContact CG2-CB 3.67Å; V59-K91 HydrophobicContact CG2-CB 4.18Å; V59-K91 HydrophobicContact CG2-CD 4.27Å
60	C	51	Low	53.2	Low	76 Å²	76	74 Å²	74	51%	0.514	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.2	177.5	-64.5	0	0	0	0	113.9	C57	C57-C60 HydrophobicContact CB-CB 3.99Å; C57-C60 PolarHBondContact O-N 3.33Å; C57-C60 PolarHBondContact SG-SG 3.28Å
61	S	48.9	Very low	52.5	Low	79 Å²	79	78 Å²	78	55%	0.552	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-19.4	171.9	-43.2	0	0	0	0	114.7	C57 V59	C57-S61 PolarHBondContact O-N 3.34Å; C57-S61 PolarHBondContact O-OG 3.33Å; V59-S61 PolarHBondContact O-N 2.61Å
62	N	39	Very low	52.1	Low	132 Å²	132	82.8 Å²	82.8	71%	0.706	47%	0.469	S	S	*	.	S	Bend	trans	-150.1	105.3	-175.3	-77.1	-60.7	0	0	0	112.2	V59	V59-N62 CarbonylContact O-C 3.57Å; V59-N62 PolarHBondContact O-N 3.34Å
63	E	37.5	Very low	51.7	Low	185 Å²	185	82.9 Å²	82.9	86%	0.864	47%	0.469	S	S	*	.			trans	62.6	145.5	168.3	-59.6	-107	109.7	0	0	117.2	D65	E63-D65 PolarHBondContact O-N 2.7Å
64	S	37.2	Very low	51.8	Low	123 Å²	123	85 Å²	85	86%	0.86	48%	0.476	S	S	*	.			trans	-94.5	82.1	-168.2	57.9	0	0	0	0	113.1
65	D	47.9	Very low	52.4	Low	80 Å²	80	78.9 Å²	78.9	43%	0.428	44%	0.444	S	S	.	.			trans	-110.1	107.2	168	-167.3	-16.3	0	0	0	111.8	E63 Q67	E63-D65 PolarHBondContact O-N 2.7Å; D65-Q67 PolarHBondContact O-N 3.34Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.26Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.36Å; D65-Q67 PolarHBondContact OD1-N 2.93Å
66	P	51.3	Low	52.8	Low	105 Å²	105	73.8 Å²	73.8	68%	0.682	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-71.3	-3.9	-179.8	30.3	-35.1	0	0	0	114.4	L68	P66-L68 VanDerWaalsContact C-N 3.28Å; P66-L68 PolarHBondContact O-N 3.35Å
67	Q	48.6	Very low	53.1	Low	175 Å²	175	72.4 Å²	72.4	82%	0.818	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-79.4	-1.5	-178	-58.7	-169.7	24.8	0	0	114.5	D65	D65-Q67 PolarHBondContact O-N 3.34Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.26Å; D65-Q67 WeakPolarHBondContact OD1-CG 3.36Å; D65-Q67 PolarHBondContact OD1-N 2.93Å
68	L	52.3	Low	53	Low	61 Å²	61	75.2 Å²	75.2	32%	0.319	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-94.3	3.1	-174.1	-72.3	169	0	0	0	115.8	V59 P66 H89 R90	V59-L68 HydrophobicContact CG1-CD1 3.89Å; V59-L68 HydrophobicContact CG2-CD1 4.47Å; P66-L68 VanDerWaalsContact C-N 3.28Å; P66-L68 PolarHBondContact O-N 3.35Å; L68-H89 WeakPolarHBondContact O-CA 3.44Å; L68-R90 PolarHBondContact O-N 3.39Å; L68-R90 VanDerWaalsContact O-N 3.14Å
69	L	51.5	Low	53.1	Low	44 Å²	44	74.5 Å²	74.5	23%	0.23	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.4	176	-73.1	167.4	0	0	0	110.9	S71 P87 H89	L69-S71 PolarHBondContact O-N 3.42Å; L69-P87 HydrophobicContact CD2-CB 4.14Å; L69-P87 HydrophobicContact CD2-CG 4.03Å; L69-H89 VanDerWaalsContact CD2-CD2 3.43Å; L69-H89 WeakPolarHBondContact CD2-CD2 3.44Å
70	H	55.4	Low	52.9	Low	62 Å²	62	77.8 Å²	77.8	29%	0.287	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	84.9	-179.1	-168.2	-71.8	0	0	0	110.4	N72 V73 I88 R90	H70-N72 PolarHBondContact O-N 2.94Å; H70-V73 WeakPolarHBondContact ND1-CG2 3.29Å; H70-V73 PolarHBondContact ND1-N 3.3Å; H70-V73 PolarHBondContact O-N 2.89Å; H70-I88 VanDerWaalsContact CB-O 3.31Å; H70-I88 WeakPolarHBondContact CB-O 3.2Å; H70-I88 PolarHBondContact N-O 2.7Å; H70-R90 HydrophobicContact CB-CB 4.48Å
71	S	52.8	Low	53.4	Low	99 Å²	99	77.9 Å²	77.9	69%	0.692	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-44.2	-30.7	-173.3	58.6	0	0	0	0	115.9	L69	L69-S71 PolarHBondContact O-N 3.42Å
72	N	55.6	Low	54.1	Low	102 Å²	102	75.5 Å²	75.5	55%	0.545	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	6.2	-173	-55.3	-0	0	0	0	113.4	H70	H70-N72 PolarHBondContact O-N 2.94Å
73	V	56	Low	55.4	Low	7 Å²	7	77 Å²	77	4%	0.042	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116	177	172.3	0	0	0	0	110.2	H70 I88 L93 R177	H70-V73 WeakPolarHBondContact ND1-CG2 3.29Å; H70-V73 PolarHBondContact ND1-N 3.3Å; H70-V73 PolarHBondContact O-N 2.89Å; V73-I88 HydrophobicContact CB-CG2 4.34Å; V73-I88 HydrophobicContact CG1-CG2 3.77Å; V73-L93 HydrophobicContact CG1-CD2 4.25Å; V73-L93 HydrophobicContact CG2-CD2 4.32Å; V73-R177 HydrophobicContact CG1-CG 3.84Å
74	Q	61.8	Low	56.7	Low	80 Å²	80	70.1 Å²	70.1	37%	0.374	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.9	168.3	-64.2	179.9	-1.8	0	0	109.8	L76 S178	Q74-L76 HydrophobicContact CB-CD1 4.21Å; Q74-S178 PolarHBondContact O-N 3.15Å; Q74-S178 PolarHBondContact O-OG 2.81Å
75	V	65.1	Low	58.1	Low	2 Å²	2	66.7 Å²	66.7	1%	0.012	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.4	170.4	-164.4	0	0	0	0	107.3	A51 S85 G86 I88 W96 L175 Y176	A51-V75 HydrophobicContact CB-CB 3.95Å; A51-V75 HydrophobicContact CB-CG2 4.06Å; V75-S85 CarbonylContact O-C 3.52Å; V75-S85 WeakPolarHBondContact O-CA 3.46Å; V75-G86 PolarHBondContact N-O 3.31Å; V75-G86 PolarHBondContact O-N 2.93Å; V75-I88 HydrophobicContact CG2-CB 3.86Å; V75-I88 HydrophobicContact CG2-CD1 4.27Å; V75-I88 HydrophobicContact CG2-CG2 4.08Å; V75-W96 HydrophobicContact CG1-CH2 3.97Å; V75-W96 HydrophobicContact CG1-CZ3 4.19Å; V75-W96 HydrophobicContact CG2-CZ3 3.95Å; V75-L175 HydrophobicContact CG1-CB 3.65Å; V75-L175 HydrophobicContact CG1-CD1 4.33Å; V75-L175 HydrophobicContact CG1-CD2 3.96Å; V75-L175 HydrophobicContact CG1-CG 4.18Å; V75-Y176 CarbonylContact C-O 3.59Å; V75-Y176 WeakPolarHBondContact CA-O 3.3Å
76	L	62.8	Low	59	Low	40 Å²	40	63 Å²	63	21%	0.209	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	152	-176.7	-64.7	91.1	0	0	0	110.1	Q74 Y84 L175 Y176 S178	Q74-L76 HydrophobicContact CB-CD1 4.21Å; L76-Y84 WeakPolarHBondContact CA-O 3.5Å; L76-L175 CarbonylContact O-C 3.57Å; L76-L175 WeakPolarHBondContact O-CA 3.37Å; L76-Y176 HydrophobicContact CB-CD1 4.08Å; L76-Y176 HydrophobicContact CB-CD2 4.48Å; L76-Y176 HydrophobicContact CB-CE1 3.54Å; L76-Y176 HydrophobicContact CB-CE2 3.98Å; L76-Y176 VanDerWaalsContact CB-CZ 3.48Å; L76-Y176 HydrophobicContact CD1-CE2 4.24Å; L76-Y176 PolarHBondContact N-O 3.21Å; L76-Y176 WeakPolarHBondContact O-CD1 3.34Å; L76-Y176 PolarHBondContact O-N 3.3Å; L76-S178 WeakPolarHBondContact CD1-OG 3.29Å
77	C	64.6	Low	59.7	Low	11 Å²	11	59.3 Å²	59.3	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.8	172.4	-170.8	0	0	0	0	111.6	T79 C82 Y84 C167 T174	C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 WeakPolarHBondContact SG-CB 3.24Å; C77-T79 PolarHBondContact SG-N 2.71Å; C77-T79 PolarHBondContact SG-OG1 3.29Å; C77-C82 HydrophobicContact CB-CB 4.08Å; C77-Y84 HydrophobicContact CB-CD1 4.39Å; C77-Y84 PolarHBondContact N-O 3.37Å; C77-C167 HydrophobicContact CB-CB 4.04Å; C77-C167 VanDerWaalsContact CB-SG 3.57Å; C77-C167 WeakPolarHBondContact SG-CB 3.48Å; C77-T174 CarbonylContact C-O 3.52Å; C77-T174 WeakPolarHBondContact CA-O 3.28Å; C77-T174 PolarHBondContact SG-OG1 2.92Å
78	A	59.7	Low	60.6	Low	61 Å²	61	51 Å²	51	50%	0.504	31%	0.306	S	S	.	.			trans	-86	-0.4	172.2	0	0	0	0	0	113.9	P80 T174 Y176	A78-P80 WeakPolarHBondContact O-CD 3.13Å; A78-T174 PolarHBondContact N-O 3.21Å; A78-Y176 HydrophobicContact CB-CD1 3.84Å; A78-Y176 HydrophobicContact CB-CE1 3.97Å
79	T	61.2	Low	61.5	Low	30 Å²	30	48.7 Å²	48.7	18%	0.184	29%	0.294	C	S	.	.	S	Bend	trans	-65.9	123.4	175.2	-67.7	0	0	0	0	110.6	C77 G81 C82 C170 Q172 T174	C77-T79 VanDerWaalsContact C-N 3.34Å; C77-T79 WeakPolarHBondContact SG-CB 3.24Å; C77-T79 PolarHBondContact SG-N 2.71Å; C77-T79 PolarHBondContact SG-OG1 3.29Å; T79-G81 PolarHBondContact O-N 2.93Å; T79-C82 HydrophobicContact CG2-CB 4.27Å; T79-C82 VanDerWaalsContact O-CB 3.22Å; T79-C82 WeakPolarHBondContact O-CB 3.37Å; T79-C82 PolarHBondContact O-N 3.36Å; T79-C170 HydrophobicContact CG2-CB 4.48Å; T79-Q172 HydrophobicContact CG2-CG 3.96Å; T79-Q172 WeakPolarHBondContact OG1-CB 3.36Å; T79-Q172 VanDerWaalsContact OG1-CG 3.28Å; T79-Q172 WeakPolarHBondContact OG1-CG 3.34Å; T79-T174 PolarHBondContact N-OG1 3.4Å; T79-T174 PolarHBondContact OG1-OG1 3.27Å
80	P	50.1	Low	62.1	Low	79 Å²	79	53.6 Å²	53.6	51%	0.513	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	123.2	-174.2	-24.5	33.6	0	0	0	113.3	A78 C82	A78-P80 WeakPolarHBondContact O-CD 3.13Å; P80-C82 VanDerWaalsContact C-N 3.32Å
81	G	63.2	Low	62.5	Low	79 Å²	79	56 Å²	56	81%	0.814	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-8.8	-177.7	0	0	0	0	0	114.7	T79 K83	T79-G81 PolarHBondContact O-N 2.93Å; G81-K83 PolarHBondContact O-N 3.37Å
82	C	62.4	Low	63.1	Low	28 Å²	28	51.3 Å²	51.3	19%	0.189	29%	0.286	C	S	.	.			trans	-72.4	119.9	169.3	-168.8	0	0	0	0	109.6	C77 T79 P80 Y84 C167	C77-C82 HydrophobicContact CB-CB 4.08Å; T79-C82 HydrophobicContact CG2-CB 4.27Å; T79-C82 VanDerWaalsContact O-CB 3.22Å; T79-C82 WeakPolarHBondContact O-CB 3.37Å; T79-C82 PolarHBondContact O-N 3.36Å; P80-C82 VanDerWaalsContact C-N 3.32Å; C82-Y84 PolarHBondContact O-N 3.47Å; C82-Y84 VanDerWaalsContact SG-CB 3.53Å; C82-C167 VanDerWaalsContact SG-SG 3.61Å
83	K	66.5	Low	63.7	Low	163 Å²	163	47 Å²	47	71%	0.709	26%	0.263	S	S	*	.			trans	-87.4	17.5	176.1	-67.3	-166	175.2	-166.7	0	113.5	Y39 G81 S85	Y39-K83 PolarHBondContact OH-NZ 2.97Å; G81-K83 PolarHBondContact O-N 3.37Å; K83-S85 PolarHBondContact O-N 3.2Å
84	Y	66	Low	64	Low	41 Å²	41	50.8 Å²	50.8	16%	0.161	28%	0.28	C	S	.	.			trans	-75.3	120.5	-174.4	-176.1	-98.3	0	0	0	112	A51 L76 C77 C82 C167 P168 A169 L175	A51-Y84 VanDerWaalsContact CA-OH 3.22Å; A51-Y84 WeakPolarHBondContact CA-OH 3.41Å; A51-Y84 HydrophobicContact CB-CE1 4.33Å; A51-Y84 WeakPolarHBondContact CB-OH 3.24Å; L76-Y84 WeakPolarHBondContact CA-O 3.5Å; C77-Y84 HydrophobicContact CB-CD1 4.39Å; C77-Y84 PolarHBondContact N-O 3.37Å; C82-Y84 PolarHBondContact O-N 3.47Å; C82-Y84 VanDerWaalsContact SG-CB 3.53Å; Y84-C167 VanDerWaalsContact CB-SG 3.53Å; Y84-P168 HydrophobicContact CD2-CG 4.28Å; Y84-P168 HydrophobicContact CE1-CG 4.08Å; Y84-P168 HydrophobicContact CE2-CG 3.61Å; Y84-P168 VanDerWaalsContact CZ-CG 3.49Å; Y84-A169 HydrophobicContact CD2-CB 3.96Å; Y84-A169 HydrophobicContact CG-CB 4.18Å; Y84-L175 HydrophobicContact CD1-CD2 3.81Å; Y84-L175 HydrophobicContact CE1-CD2 3.81Å
85	S	66.2	Low	64.2	Low	51 Å²	51	50.9 Å²	50.9	36%	0.357	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149	158	61	0	0	0	0	109.7	V75 K83	V75-S85 CarbonylContact O-C 3.52Å; V75-S85 WeakPolarHBondContact O-CA 3.46Å; K83-S85 PolarHBondContact O-N 3.2Å
86	G	66.1	Low	64.2	Low	4 Å²	4	51.2 Å²	51.2	4%	0.041	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	150.4	178	0	0	0	0	0	112.4	V75	V75-G86 PolarHBondContact N-O 3.31Å; V75-G86 PolarHBondContact O-N 2.93Å
87	P	65.3	Low	64.1	Low	26 Å²	26	51 Å²	51	17%	0.169	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	153.9	172.6	32.7	-35.3	0	0	0	110.4	C50 A51 L69	C50-P87 CarbonylContact C-O 3.57Å; C50-P87 WeakPolarHBondContact CA-O 3.49Å; A51-P87 PolarHBondContact N-O 3.33Å; L69-P87 HydrophobicContact CD2-CB 4.14Å; L69-P87 HydrophobicContact CD2-CG 4.03Å
88	I	68	Low	63.9	Low	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.6	173.2	-168.6	168.6	0	0	0	110.5	V52 H70 V73 V75 C92 L93 W96	V52-I88 HydrophobicContact CG2-CD1 3.76Å; V52-I88 HydrophobicContact CG2-CG1 4.17Å; H70-I88 VanDerWaalsContact CB-O 3.31Å; H70-I88 WeakPolarHBondContact CB-O 3.2Å; H70-I88 PolarHBondContact N-O 2.7Å; V73-I88 HydrophobicContact CB-CG2 4.34Å; V73-I88 HydrophobicContact CG1-CG2 3.77Å; V75-I88 HydrophobicContact CG2-CB 3.86Å; V75-I88 HydrophobicContact CG2-CD1 4.27Å; V75-I88 HydrophobicContact CG2-CG2 4.08Å; I88-C92 HydrophobicContact CD1-CB 4.06Å; I88-C92 HydrophobicContact CG1-CB 3.7Å; I88-L93 HydrophobicContact CD1-CB 4.12Å; I88-L93 HydrophobicContact CG1-CB 4.42Å; I88-L93 HydrophobicContact CG2-CB 4.13Å; I88-W96 HydrophobicContact CD1-CE3 3.57Å; I88-W96 HydrophobicContact CD1-CZ3 3.92Å
89	H	70.2	Confident	63.9	Low	13 Å²	13	51.1 Å²	51.1	6%	0.06	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.5	169.5	-66	129.3	0	0	0	110.5	C50 C57 V59 L68 L69 K91 C92 L93	C50-H89 WeakPolarHBondContact CB-ND1 3.23Å; C50-H89 PolarHBondContact SG-N 2.9Å; C50-H89 VanDerWaalsContact SG-N 3.41Å; C57-H89 PolarHBondContact SG-ND1 3.34Å; V59-H89 HydrophobicContact CG2-CB 3.67Å; L68-H89 WeakPolarHBondContact O-CA 3.44Å; L69-H89 VanDerWaalsContact CD2-CD2 3.43Å; L69-H89 WeakPolarHBondContact CD2-CD2 3.44Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.67Å; H89-C92 HydrophobicContact CB-CB 4.14Å; H89-C92 WeakPolarHBondContact O-CA 3.33Å; H89-C92 WeakPolarHBondContact O-CB 3.28Å; H89-C92 PolarHBondContact O-N 3.46Å; H89-L93 PolarHBondContact O-N 2.78Å
90	R	64.2	Low	63.6	Low	148 Å²	148	49.7 Å²	49.7	56%	0.558	27%	0.272	S	S	*	.	H	α-helix	trans	-53	-47.8	177.9	179.8	176.5	167	157.4	4.8	112.6	L68 H70 C92 L93 E94	L68-R90 PolarHBondContact O-N 3.39Å; L68-R90 VanDerWaalsContact O-N 3.14Å; H70-R90 HydrophobicContact CB-CB 4.48Å; R90-C92 VanDerWaalsContact C-N 3.28Å; R90-C92 PolarHBondContact O-N 2.78Å; R90-L93 PolarHBondContact O-N 3.31Å; R90-E94 HydrophobicContact CG-CG 4.41Å; R90-E94 IonicContact CZ-OE1 3.37Å; R90-E94 VanDerWaalsContact CZ-OE1 3.3Å; R90-E94 IonicContact NE-OE1 2.73Å; R90-E94 PolarHBondContact NE-OE1 2.9Å; R90-E94 IonicContact NE-OE2 3.47Å; R90-E94 IonicContact NH2-OE1 2.87Å; R90-E94 PolarHBondContact NH2-OE1 3.28Å; R90-E94 WeakPolarHBondContact O-CG 3.45Å; R90-E94 PolarHBondContact O-N 3.06Å
91	K	63.8	Low	63.8	Low	112 Å²	112	49.1 Å²	49.1	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-32.1	176.4	-69.2	-177.2	180	173.7	0	113.7	C58 V59 H89 H95	C58-K91 HydrophobicContact CB-CB 4.32Å; V59-K91 HydrophobicContact CG2-CB 4.18Å; V59-K91 HydrophobicContact CG2-CD 4.27Å; H89-K91 VanDerWaalsContact C-N 3.32Å; H89-K91 PolarHBondContact O-N 2.67Å; K91-H95 VanDerWaalsContact O-CB 3.31Å; K91-H95 WeakPolarHBondContact O-CB 3.48Å; K91-H95 PolarHBondContact O-N 2.9Å
92	C	65.9	Low	63.5	Low	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-74.3	-36.3	178	-64.9	0	0	0	0	111.4	V52 C58 I88 H89 R90 W96	V52-C92 HydrophobicContact CG2-CB 4.08Å; C58-C92 PolarHBondContact N-SG 3.11Å; I88-C92 HydrophobicContact CD1-CB 4.06Å; I88-C92 HydrophobicContact CG1-CB 3.7Å; H89-C92 HydrophobicContact CB-CB 4.14Å; H89-C92 WeakPolarHBondContact O-CA 3.33Å; H89-C92 WeakPolarHBondContact O-CB 3.28Å; H89-C92 PolarHBondContact O-N 3.46Å; R90-C92 VanDerWaalsContact C-N 3.28Å; R90-C92 PolarHBondContact O-N 2.78Å; C92-W96 VanDerWaalsContact O-CB 3.26Å; C92-W96 WeakPolarHBondContact O-CB 3.19Å; C92-W96 PolarHBondContact O-N 3.4Å
93	L	68.3	Low	63.2	Low	11 Å²	11	49.7 Å²	49.7	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-67.3	-46.2	171.7	-177	62.8	0	0	0	111.2	V73 I88 H89 R90 H95 W96 D97	V73-L93 HydrophobicContact CG1-CD2 4.25Å; V73-L93 HydrophobicContact CG2-CD2 4.32Å; I88-L93 HydrophobicContact CD1-CB 4.12Å; I88-L93 HydrophobicContact CG1-CB 4.42Å; I88-L93 HydrophobicContact CG2-CB 4.13Å; H89-L93 PolarHBondContact O-N 2.78Å; R90-L93 PolarHBondContact O-N 3.31Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 2.83Å; L93-W96 HydrophobicContact CD1-CE3 3.84Å; L93-W96 HydrophobicContact CD1-CZ3 4.24Å; L93-W96 PolarHBondContact O-N 3.2Å; L93-D97 WeakPolarHBondContact O-CB 3.4Å; L93-D97 VanDerWaalsContact O-CG 3.32Å; L93-D97 PolarHBondContact O-N 3.1Å
94	E	63.4	Low	62.4	Low	87 Å²	87	43.3 Å²	43.3	41%	0.407	22%	0.218	S	C	.	.	H	α-helix	trans	-60.8	-36.1	176.5	-70.9	166.5	159.5	0	0	112.1	R90 A98	R90-E94 HydrophobicContact CG-CG 4.41Å; R90-E94 IonicContact CZ-OE1 3.37Å; R90-E94 VanDerWaalsContact CZ-OE1 3.3Å; R90-E94 IonicContact NE-OE1 2.73Å; R90-E94 PolarHBondContact NE-OE1 2.9Å; R90-E94 IonicContact NE-OE2 3.47Å; R90-E94 IonicContact NH2-OE1 2.87Å; R90-E94 PolarHBondContact NH2-OE1 3.28Å; R90-E94 WeakPolarHBondContact O-CG 3.45Å; R90-E94 PolarHBondContact O-N 3.06Å; E94-A98 VanDerWaalsContact O-CB 3.29Å; E94-A98 WeakPolarHBondContact O-CB 3.35Å; E94-A98 PolarHBondContact O-N 2.83Å; E94-A98 VanDerWaalsContact O-N 3.16Å
95	H	65	Low	61.8	Low	82 Å²	82	47.5 Å²	47.5	38%	0.38	24%	0.238	S	C	.	.	H	α-helix	trans	-71	-42.1	173.6	-176	53.8	0	0	0	112.8	C58 K91 L93 A98 C99	C58-H95 VanDerWaalsContact SG-CD2 3.59Å; K91-H95 VanDerWaalsContact O-CB 3.31Å; K91-H95 WeakPolarHBondContact O-CB 3.48Å; K91-H95 PolarHBondContact O-N 2.9Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 2.83Å; H95-A98 PolarHBondContact O-N 2.88Å; H95-C99 PolarHBondContact O-N 3.27Å
96	W	65.1	Low	61.2	Low	8 Å²	8	48.3 Å²	48.3	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-61.5	-50.2	175.9	176.8	14.5	0	0	0	111.4	V75 I88 C92 L93 A98 C99 C100 Y165 R177 V209	V75-W96 HydrophobicContact CG1-CH2 3.97Å; V75-W96 HydrophobicContact CG1-CZ3 4.19Å; V75-W96 HydrophobicContact CG2-CZ3 3.95Å; I88-W96 HydrophobicContact CD1-CE3 3.57Å; I88-W96 HydrophobicContact CD1-CZ3 3.92Å; C92-W96 VanDerWaalsContact O-CB 3.26Å; C92-W96 WeakPolarHBondContact O-CB 3.19Å; C92-W96 PolarHBondContact O-N 3.4Å; L93-W96 HydrophobicContact CD1-CE3 3.84Å; L93-W96 HydrophobicContact CD1-CZ3 4.24Å; L93-W96 PolarHBondContact O-N 3.2Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 3.42Å; W96-C99 PolarHBondContact O-N 3.47Å; W96-C100 PolarHBondContact O-N 2.94Å; W96-C100 PolarHBondContact O-SG 2.82Å; W96-Y165 AromaticContact CE2-CE1 3.59Å; W96-Y165 HydrophobicContact CZ2-CD1 4.08Å; W96-Y165 AromaticContact CZ2-CE1 3.61Å; W96-Y165 HydrophobicContact CZ2-CE1 3.61Å; W96-Y165 AromaticContact NE1-CE1 3.1Å; W96-Y165 AromaticContact NE1-CZ 3.22Å; W96-Y165 PolarHBondContact NE1-OH 3.29Å; W96-R177 HydrophobicContact CH2-CB 4.46Å; W96-V209 HydrophobicContact CZ2-CG1 4.42Å
97	D	61.1	Low	60.5	Low	35 Å²	35	50.4 Å²	50.4	19%	0.187	25%	0.248	C	C	.	.	H	α-helix	trans	-56.9	-47.7	177	-70.9	-7.5	0	0	0	110.2	L93 C99 C100 D101 R177 H205	L93-D97 WeakPolarHBondContact O-CB 3.4Å; L93-D97 VanDerWaalsContact O-CG 3.32Å; L93-D97 PolarHBondContact O-N 3.1Å; D97-C99 PolarHBondContact O-N 3.33Å; D97-C100 WeakPolarHBondContact O-CB 3.47Å; D97-C100 PolarHBondContact O-N 3.43Å; D97-C100 VanDerWaalsContact O-N 3.13Å; D97-D101 PolarHBondContact O-N 3.19Å; D97-R177 IonicContact OD2-NH1 2.84Å; D97-H205 PolarHBondContact O-CE1 3.23Å; D97-H205 IonicContact OD1-ND1 2.7Å
98	A	60.9	Low	59.5	Low	52 Å²	52	54 Å²	54	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-38	179.6	0	0	0	0	0	114.1	E94 H95 W96 C100 D101 F102	E94-A98 VanDerWaalsContact O-CB 3.29Å; E94-A98 WeakPolarHBondContact O-CB 3.35Å; E94-A98 PolarHBondContact O-N 2.83Å; E94-A98 VanDerWaalsContact O-N 3.16Å; H95-A98 PolarHBondContact O-N 2.88Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 3.42Å; A98-C100 VanDerWaalsContact C-N 3.27Å; A98-C100 PolarHBondContact O-N 2.85Å; A98-D101 PolarHBondContact O-N 3.44Å; A98-F102 WeakPolarHBondContact O-CB 3.41Å; A98-F102 PolarHBondContact O-N 3.31Å
99	C	58.2	Low	58.3	Low	23 Å²	23	58.6 Å²	58.6	16%	0.155	29%	0.291	C	S	.	.	H	α-helix	trans	-66.5	-30	174.7	-79	0	0	0	0	112.3	H95 W96 D97 Y103 L161	H95-C99 PolarHBondContact O-N 3.27Å; W96-C99 PolarHBondContact O-N 3.47Å; D97-C99 PolarHBondContact O-N 3.33Å; C99-Y103 PolarHBondContact O-N 3.32Å; C99-L161 HydrophobicContact CB-CD2 3.85Å
100	C	56.1	Low	56.8	Low	1 Å²	1	61.6 Å²	61.6	1%	0.007	31%	0.313	C	S	.	.	H	α-helix	trans	-73.3	-45.4	175.5	-60.5	0	0	0	0	111.7	W96 D97 A98 F102 Y103 C104 Y165 V209	W96-C100 PolarHBondContact O-N 2.94Å; W96-C100 PolarHBondContact O-SG 2.82Å; D97-C100 WeakPolarHBondContact O-CB 3.47Å; D97-C100 PolarHBondContact O-N 3.43Å; D97-C100 VanDerWaalsContact O-N 3.13Å; A98-C100 VanDerWaalsContact C-N 3.27Å; A98-C100 PolarHBondContact O-N 2.85Å; C100-F102 VanDerWaalsContact C-N 3.34Å; C100-F102 PolarHBondContact O-N 2.82Å; C100-Y103 PolarHBondContact O-N 2.85Å; C100-Y103 VanDerWaalsContact O-N 3.15Å; C100-C104 PolarHBondContact O-N 3.21Å; C100-C104 PolarHBondContact O-SG 3.06Å; C100-Y165 PolarHBondContact SG-OH 3.08Å; C100-V209 HydrophobicContact CB-CG2 3.95Å
101	D	52.9	Low	55.6	Low	67 Å²	67	62.9 Å²	62.9	36%	0.358	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-43.9	175.6	-76	-34.8	0	0	0	111.7	D97 A98 Y103 C104 H105 H205	D97-D101 PolarHBondContact O-N 3.19Å; A98-D101 PolarHBondContact O-N 3.44Å; D101-Y103 VanDerWaalsContact C-N 3.32Å; D101-Y103 PolarHBondContact O-N 3.41Å; D101-C104 PolarHBondContact O-N 2.97Å; D101-H105 PolarHBondContact O-CD2 3.36Å; D101-H105 PolarHBondContact O-N 3.25Å; D101-H205 IonicContact OD1-CD2 3.31Å; D101-H205 IonicContact OD1-CE1 3.16Å; D101-H205 IonicContact OD1-NE2 3.93Å; D101-H205 PolarHBondContact OD1-NE2 2.92Å; D101-H205 VanDerWaalsContact OD1-NE2 3.12Å; D101-H205 IonicContact OD2-CD2 2.85Å; D101-H205 IonicContact OD2-CE1 3.24Å; D101-H205 IonicContact OD2-NE2 3.48Å; D101-H205 PolarHBondContact OD2-NE2 3.2Å
102	F	58	Low	54.2	Low	115 Å²	115	62.2 Å²	62.2	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-43	174.5	-179.8	-99	0	0	0	112.2	A98 C100 H105 L106 F157	A98-F102 WeakPolarHBondContact O-CB 3.41Å; A98-F102 PolarHBondContact O-N 3.31Å; C100-F102 VanDerWaalsContact C-N 3.34Å; C100-F102 PolarHBondContact O-N 2.82Å; F102-H105 PolarHBondContact O-N 3.48Å; F102-L106 PolarHBondContact O-N 2.85Å; F102-F157 AromaticContact CD1-CE2 3.96Å; F102-F157 HydrophobicContact CD1-CE2 3.96Å; F102-F157 AromaticContact CD1-CZ 3.84Å; F102-F157 HydrophobicContact CD1-CZ 3.84Å; F102-F157 HydrophobicContact CE1-CE2 4.23Å; F102-F157 HydrophobicContact CE1-CZ 4.33Å
103	Y	54.8	Low	52.6	Low	3 Å²	3	66 Å²	66	1%	0.012	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-40	178.1	-167.6	-116.2	0	0	0	112.6	C99 C100 D101 H105 L106 L107 F157 M158 L161 A212 Y215	C99-Y103 PolarHBondContact O-N 3.32Å; C100-Y103 PolarHBondContact O-N 2.85Å; C100-Y103 VanDerWaalsContact O-N 3.15Å; D101-Y103 VanDerWaalsContact C-N 3.32Å; D101-Y103 PolarHBondContact O-N 3.41Å; Y103-H105 VanDerWaalsContact C-N 3.32Å; Y103-H105 PolarHBondContact O-N 3.13Å; Y103-L106 HydrophobicContact CD2-CD2 4.49Å; Y103-L106 WeakPolarHBondContact O-CB 3.22Å; Y103-L106 PolarHBondContact O-N 3.34Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; Y103-L107 HydrophobicContact CD1-CD1 3.91Å; Y103-L107 HydrophobicContact CD1-CG 4.3Å; Y103-L107 HydrophobicContact CE1-CD1 3.72Å; Y103-L107 HydrophobicContact CE1-CD2 4.31Å; Y103-L107 HydrophobicContact CE1-CG 4.07Å; Y103-L107 WeakPolarHBondContact O-CG 3.32Å; Y103-L107 PolarHBondContact O-N 3.36Å; Y103-F157 AromaticContact CD2-CE1 3.65Å; Y103-F157 HydrophobicContact CD2-CE1 3.65Å; Y103-F157 HydrophobicContact CD2-CZ 4.47Å; Y103-F157 HydrophobicContact CE2-CE1 4.32Å; Y103-F157 HydrophobicContact CG-CE1 4.35Å; Y103-M158 HydrophobicContact CE2-SD 3.68Å; Y103-M158 VanDerWaalsContact OH-CE 3.28Å; Y103-M158 WeakPolarHBondContact OH-CE 3.26Å; Y103-M158 PolarHBondContact OH-SD 3.47Å; Y103-L161 HydrophobicContact CG-CD1 4.48Å; Y103-A212 HydrophobicContact CD1-CB 3.78Å; Y103-A212 HydrophobicContact CE1-CB 4.24Å; Y103-Y215 HydrophobicContact CE1-CD1 4.29Å; Y103-Y215 VanDerWaalsContact OH-CD1 3.27Å; Y103-Y215 WeakPolarHBondContact OH-CD1 3.42Å; Y103-Y215 VanDerWaalsContact OH-CE1 3.31Å; Y103-Y215 WeakPolarHBondContact OH-CE1 3.46Å
104	C	50.4	Low	50.9	Low	30 Å²	30	70.6 Å²	70.6	20%	0.203	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-36.3	173.8	-70.5	0	0	0	0	112.3	C100 D101 N108 S208	C100-C104 PolarHBondContact O-N 3.21Å; C100-C104 PolarHBondContact O-SG 3.06Å; D101-C104 PolarHBondContact O-N 2.97Å; C104-N108 PolarHBondContact O-N 2.98Å; C104-N108 PolarHBondContact O-ND2 3.43Å; C104-S208 VanDerWaalsContact SG-CB 3.59Å
105	H	53	Low	49.3	Very low	128 Å²	128	73.4 Å²	73.4	59%	0.593	40%	0.395	S	S	*	.	H	α-helix	trans	-65.3	-38.8	170.1	-79.1	-64.5	0	0	0	112.5	D101 F102 Y103 N108 N109	D101-H105 PolarHBondContact O-CD2 3.36Å; D101-H105 PolarHBondContact O-N 3.25Å; F102-H105 PolarHBondContact O-N 3.48Å; Y103-H105 VanDerWaalsContact C-N 3.32Å; Y103-H105 PolarHBondContact O-N 3.13Å; H105-N108 PolarHBondContact O-N 2.98Å; H105-N109 PolarHBondContact O-N 3.03Å; H105-N109 PolarHBondContact O-ND2 2.89Å
106	L	54.2	Low	47.6	Very low	69 Å²	69	76.1 Å²	76.1	36%	0.361	41%	0.412	S	S	.	.	H	α-helix	trans	-64.1	-46.2	177.5	-156	75.5	0	0	0	112	F102 Y103 N108 N109 S110	F102-L106 PolarHBondContact O-N 2.85Å; Y103-L106 HydrophobicContact CD2-CD2 4.49Å; Y103-L106 WeakPolarHBondContact O-CB 3.22Å; Y103-L106 PolarHBondContact O-N 3.34Å; Y103-L106 VanDerWaalsContact O-N 3.11Å; L106-N108 PolarHBondContact O-N 2.41Å; L106-N109 PolarHBondContact O-N 3.23Å; L106-N109 VanDerWaalsContact O-N 3.15Å; L106-S110 PolarHBondContact O-N 3.42Å; L106-S110 PolarHBondContact O-OG 3.26Å
107	L	50.8	Low	45.9	Very low	47 Å²	47	83.6 Å²	83.6	25%	0.246	45%	0.447	C	S	.	.	H	α-helix	trans	-58.9	-45.3	176.5	-71.2	173.3	0	0	0	112.1	Y103 N109 S110 F111 Y215	Y103-L107 HydrophobicContact CD1-CD1 3.91Å; Y103-L107 HydrophobicContact CD1-CG 4.3Å; Y103-L107 HydrophobicContact CE1-CD1 3.72Å; Y103-L107 HydrophobicContact CE1-CD2 4.31Å; Y103-L107 HydrophobicContact CE1-CG 4.07Å; Y103-L107 WeakPolarHBondContact O-CG 3.32Å; Y103-L107 PolarHBondContact O-N 3.36Å; L107-N109 VanDerWaalsContact C-N 3.25Å; L107-N109 PolarHBondContact O-N 3.38Å; L107-S110 PolarHBondContact O-N 3.47Å; L107-F111 PolarHBondContact O-N 3.48Å; L107-Y215 HydrophobicContact CD2-CD1 4.18Å; L107-Y215 HydrophobicContact CD2-CE1 3.82Å
108	N	45.4	Very low	44.3	Very low	101 Å²	101	88.4 Å²	88.4	54%	0.54	48%	0.478	S	S	.	.	H	α-helix	trans	-61.4	-32.2	177	-81.3	-63.2	0	0	0	112.7	C104 H105 L106 N112	C104-N108 PolarHBondContact O-N 2.98Å; C104-N108 PolarHBondContact O-ND2 3.43Å; H105-N108 PolarHBondContact O-N 2.98Å; L106-N108 PolarHBondContact O-N 2.41Å; N108-N112 PolarHBondContact O-ND2 2.67Å
109	N	41.7	Very low	42.6	Very low	97 Å²	97	91.7 Å²	91.7	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-77.8	-34	176.9	-72.3	-27.3	0	0	0	112.8	H105 L106 L107 N112 N113	H105-N109 PolarHBondContact O-N 3.03Å; H105-N109 PolarHBondContact O-ND2 2.89Å; L106-N109 PolarHBondContact O-N 3.23Å; L106-N109 VanDerWaalsContact O-N 3.15Å; L107-N109 VanDerWaalsContact C-N 3.25Å; L107-N109 PolarHBondContact O-N 3.38Å; N109-N112 PolarHBondContact O-N 2.73Å; N109-N113 PolarHBondContact O-ND2 3.28Å
110	S	40.3	Very low	41.2	Very low	77 Å²	77	96.1 Å²	96.1	54%	0.538	53%	0.529	S	S	.	.	H	α-helix	trans	-65.9	-38.5	176.6	-67.7	0	0	0	0	113	L106 L107 N112 N113	L106-S110 PolarHBondContact O-N 3.42Å; L106-S110 PolarHBondContact O-OG 3.26Å; L107-S110 PolarHBondContact O-N 3.47Å; S110-N112 VanDerWaalsContact C-N 3.27Å; S110-N112 PolarHBondContact O-N 2.84Å; S110-N113 PolarHBondContact O-N 3.25Å
111	F	37.4	Very low	40	Very low	175 Å²	175	102 Å²	102	77%	0.768	57%	0.565	S	S	*	*	H	α-helix	trans	-62.4	-31.1	176.7	-92.9	-81.6	0	0	0	113.5	L107	L107-F111 PolarHBondContact O-N 3.48Å
112	N	35.2	Very low	39	Very low	97 Å²	97	107.6 Å²	107.6	52%	0.519	59%	0.586	S	S	.	*	H	α-helix	trans	-81.1	-23.3	-178	-76.9	-68.9	0	0	0	114	N108 N109 S110	N108-N112 PolarHBondContact O-ND2 2.67Å; N109-N112 PolarHBondContact O-N 2.73Å; S110-N112 VanDerWaalsContact C-N 3.27Å; S110-N112 PolarHBondContact O-N 2.84Å
113	N	32.4	Very low	37.5	Very low	81 Å²	81	108.2 Å²	108.2	43%	0.433	60%	0.595	S	S	.	*	H	α-helix	trans	-93.2	-19.9	-175.8	-73.4	-74.8	0	0	0	114.1	N109 S110 L115 L116	N109-N113 PolarHBondContact O-ND2 3.28Å; S110-N113 PolarHBondContact O-N 3.25Å; N113-L115 PolarHBondContact O-N 3.32Å; N113-L115 VanDerWaalsContact O-N 3.16Å; N113-L116 PolarHBondContact O-N 3.37Å
114	S	32.9	Very low	36.3	Very low	107 Å²	107	113.1 Å²	113.1	75%	0.748	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-8.1	-177.4	-158	0	0	0	0	114.6
115	L	30.3	Very low	35.2	Very low	146 Å²	146	117.5 Å²	117.5	76%	0.764	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	0.4	179.3	-152.5	71.9	0	0	0	113.8	N113	N113-L115 PolarHBondContact O-N 3.32Å; N113-L115 VanDerWaalsContact O-N 3.16Å
116	L	29.3	Very low	34	Very low	140 Å²	140	116.1 Å²	116.1	73%	0.733	66%	0.656	S	S	*	*	S	Bend	trans	-121.5	42.6	-168.9	-82.7	160.4	0	0	0	113.2	N113	N113-L116 PolarHBondContact O-N 3.37Å
117	Q	28	Very low	32.7	Very low	165 Å²	165	118.6 Å²	118.6	77%	0.771	68%	0.675	S	S	*	*	S	Bend	trans	-150.5	26.9	-177.3	-137.3	161.3	88.1	0	0	117
118	T	27.3	Very low	31.8	Very low	136 Å²	136	123.6 Å²	123.6	83%	0.834	70%	0.7	S	S	*	*	S	Bend	trans	-139.7	37.9	-177.2	47.9	0	0	0	0	115.6
119	S	26.6	Very low	31.1	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	72%	0.715	S	S	*	*			trans	-154.6	74.6	175.2	64.6	0	0	0	0	116.4
120	S	28.2	Very low	30.8	Very low	116 Å²	116	129.5 Å²	129.5	81%	0.811	73%	0.728	S	S	*	*			trans	-161.4	137.4	158.9	55	0	0	0	0	108.7
121	T	31.7	Very low	30.3	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	74%	0.744	S	S	*	*			cis	-137.8	157.4	3.9	53.9	0	0	0	0	113.3
122	F	30.3	Very low	29.9	Very low	183 Å²	183	131 Å²	131	80%	0.803	74%	0.743	S	S	*	*				-11.9	152.7	126.9	-73.6	-95.9	0	0	0	116.7
123	D	27.7	Very low	29.7	Very low	128 Å²	128	132.2 Å²	132.2	68%	0.684	76%	0.759	S	S	*	*			cis	-170.6	175.1	-14	-152.9	-29.2	0	0	0	108.9
124	T	28.7	Very low	29.6	Very low	107 Å²	107	133.5 Å²	133.5	66%	0.656	77%	0.774	S	S	*	*			trans	61	102.3	152.7	-57.3	0	0	0	0	119.9
125	T	27.4	Very low	29.8	Very low	122 Å²	122	134.2 Å²	134.2	75%	0.748	78%	0.777	S	S	*	*				46.7	131.8	127.3	-35.6	0	0	0	0	122.7
126	S	27.9	Very low	29.9	Very low	99 Å²	99	133.4 Å²	133.4	69%	0.692	78%	0.783	S	S	*	*			trans	82	111.8	150.9	60.2	0	0	0	0	122.7
127	T	27.8	Very low	30.1	Very low	121 Å²	121	132.1 Å²	132.1	74%	0.742	79%	0.786	S	S	*	*				78.9	110.1	118	-54.2	0	0	0	0	121.5
128	I	32.3	Very low	30.6	Very low	151 Å²	151	129.7 Å²	129.7	77%	0.774	78%	0.784	S	S	*	*			trans	79.4	104	151.8	-64.4	168.7	0	0	0	119.8
129	K	30.7	Very low	30.5	Very low	199 Å²	199	128.5 Å²	128.5	87%	0.865	78%	0.781	S	S	*	*			trans	47.2	147.1	140.8	-71	-170.4	172.9	-176.1	0	122.9
130	P	33.6	Very low	30.4	Very low	123 Å²	123	127.8 Å²	127.8	80%	0.799	78%	0.776	S	S	*	*			trans	-106.4	171.6	-172	42.3	-35.8	0	0	0	114.6
131	N	30.3	Very low	30.3	Very low	160 Å²	160	127.7 Å²	127.7	86%	0.856	78%	0.776	S	S	*	*			trans	-152.5	164.6	140.3	-142.4	-9.4	0	0	0	114.4
132	V	28.8	Very low	30.1	Very low	123 Å²	123	128.4 Å²	128.4	75%	0.745	78%	0.78	S	S	*	*			trans	-92.7	139.8	-163.5	173.7	0	0	0	0	114
133	S	31.8	Very low	29.7	Very low	123 Å²	123	124.8 Å²	124.8	86%	0.86	78%	0.778	S	S	*	*			trans	-168.5	140.7	133.7	41.3	0	0	0	0	114.3
134	S	31.2	Very low	29.6	Very low	109 Å²	109	125.3 Å²	125.3	76%	0.762	78%	0.779	S	S	*	*			trans	-100.7	-155.4	-162	54.6	0	0	0	0	112.5
135	P	37.1	Very low	29.5	Very low	122 Å²	122	126 Å²	126	79%	0.792	78%	0.778	S	S	*	*				-133.1	174.5	-104.6	40.2	-21.1	0	0	0	116.1
136	S	32.3	Very low	29.4	Very low	129 Å²	129	124.5 Å²	124.5	90%	0.902	77%	0.772	S	S	*	*			trans	-155.1	166.4	157.5	56.1	0	0	0	0	111.9
137	S	33.6	Very low	29.4	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	77%	0.772	S	S	*	*			trans	-146.1	-167.7	-158.2	61	0	0	0	0	111.2
138	P	37.1	Very low	29.5	Very low	113 Å²	113	125.9 Å²	125.9	73%	0.734	76%	0.762	S	S	*	*				-127.7	171.4	-51	32.8	-17.8	0	0	0	112.7
139	S	26.1	Very low	29.7	Very low	111 Å²	111	126 Å²	126	78%	0.776	76%	0.764	S	S	*	*			trans	-161.5	129.3	152	44.2	0	0	0	0	116.4
140	S	25.1	Very low	29.8	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.763	S	S	*	*			trans	57.5	131.2	148.2	52.6	0	0	0	0	123.6
141	S	25.6	Very low	29.7	Very low	115 Å²	115	119.7 Å²	119.7	80%	0.804	74%	0.735	S	S	*	*			trans	94.8	25.8	136.9	72.9	0	0	0	0	123.4
142	T	26.2	Very low	29.9	Very low	140 Å²	140	116.8 Å²	116.8	86%	0.859	73%	0.726	S	S	*	*			trans	-144.3	86.4	163.4	50.1	0	0	0	0	113.9
143	S	23.8	Very low	30.2	Very low	107 Å²	107	117.3 Å²	117.3	75%	0.748	72%	0.723	S	S	*	*			trans	-162.4	61.8	-177.5	63.3	0	0	0	0	116.7
144	I	24.9	Very low	31.1	Very low	139 Å²	139	115 Å²	115	71%	0.713	70%	0.699	S	S	*	*	S	Bend	trans	-130.4	-5.8	176	-60.6	-176.3	0	0	0	115.1	F148	I144-F148 VanDerWaalsContact O-CE2 3.26Å; I144-F148 WeakPolarHBondContact O-CE2 3.34Å
145	L	25.6	Very low	31.8	Very low	122 Å²	122	116.9 Å²	116.9	64%	0.639	69%	0.693	S	S	*	*	S	Bend	trans	-140.4	10	-174.8	-109.9	114.4	0	0	0	119.2
146	S	25.1	Very low	32.5	Very low	89 Å²	89	114.8 Å²	114.8	62%	0.622	68%	0.682	S	S	*	*	S	Bend	trans	-98.1	-15.1	-175.9	60.4	0	0	0	0	116.6
147	N	28	Very low	33.5	Very low	127 Å²	127	111.3 Å²	111.3	68%	0.679	65%	0.65	S	S	*	*	S	Bend	trans	-120.9	19.6	-168.4	-71.1	13.2	0	0	0	114.8	N149 S151	N147-N149 PolarHBondContact O-N 3.1Å; N147-S151 PolarHBondContact O-OG 2.87Å; N147-S151 VanDerWaalsContact O-OG 3.06Å
148	F	30.2	Very low	34.4	Very low	123 Å²	123	106.3 Å²	106.3	54%	0.539	61%	0.614	S	S	.	*	G	3₁₀ helix	trans	-76.4	-17.6	-173	-89.3	-88.5	0	0	0	115.5	I144 D150 S151	I144-F148 VanDerWaalsContact O-CE2 3.26Å; I144-F148 WeakPolarHBondContact O-CE2 3.34Å; F148-D150 VanDerWaalsContact C-N 3.33Å; F148-D150 PolarHBondContact O-N 2.83Å; F148-S151 PolarHBondContact O-N 3.4Å
149	N	36	Very low	35.2	Very low	154 Å²	154	104.8 Å²	104.8	82%	0.824	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-66.9	-27.6	-174.8	-71.2	-15.2	0	0	0	114.5	N147	N147-N149 PolarHBondContact O-N 3.1Å
150	D	33.6	Very low	36.7	Very low	157 Å²	157	101 Å²	101	84%	0.84	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-115.7	13.1	179.9	-68.3	-70.4	0	0	0	113.1	F148	F148-D150 VanDerWaalsContact C-N 3.33Å; F148-D150 PolarHBondContact O-N 2.83Å
151	S	31.8	Very low	38.3	Very low	31 Å²	31	96.4 Å²	96.4	22%	0.217	54%	0.543	C	S	.	.			trans	-71.8	128.2	-175.5	-77.7	0	0	0	0	112.1	N147 F148 L153 H154	N147-S151 PolarHBondContact O-OG 2.87Å; N147-S151 VanDerWaalsContact O-OG 3.06Å; F148-S151 PolarHBondContact O-N 3.4Å; S151-L153 PolarHBondContact O-N 3.43Å; S151-L153 VanDerWaalsContact O-N 3.1Å; S151-H154 WeakPolarHBondContact O-CB 3.4Å; S151-H154 PolarHBondContact O-N 3.19Å
152	P	34.2	Very low	39.7	Very low	100 Å²	100	91.3 Å²	91.3	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-25.9	-178.1	23.8	-33.8	0	0	0	113	H154 K155 S156	P152-H154 VanDerWaalsContact C-N 3.25Å; P152-H154 PolarHBondContact O-N 3.16Å; P152-K155 PolarHBondContact O-N 3.11Å; P152-K155 VanDerWaalsContact O-N 3.12Å; P152-S156 PolarHBondContact O-N 2.88Å; P152-S156 PolarHBondContact O-OG 2.9Å
153	L	36	Very low	41.3	Very low	133 Å²	133	90 Å²	90	70%	0.696	49%	0.486	S	S	*	.	H	α-helix	trans	-54.6	-38.2	170.8	-68.3	172.5	0	0	0	112.7	S151 F157	S151-L153 PolarHBondContact O-N 3.43Å; S151-L153 VanDerWaalsContact O-N 3.1Å; L153-F157 WeakPolarHBondContact O-CB 3.22Å; L153-F157 PolarHBondContact O-N 3.25Å
154	H	50	Low	43	Very low	75 Å²	75	85.3 Å²	85.3	35%	0.347	45%	0.452	S	S	.	.	H	α-helix	trans	-68.1	-41.4	177	-178.3	-110.2	0	0	0	111.2	S151 P152 F157 M158	S151-H154 WeakPolarHBondContact O-CB 3.4Å; S151-H154 PolarHBondContact O-N 3.19Å; P152-H154 VanDerWaalsContact C-N 3.25Å; P152-H154 PolarHBondContact O-N 3.16Å; H154-F157 PolarHBondContact O-N 3.4Å; H154-M158 WeakPolarHBondContact O-CB 3.27Å; H154-M158 WeakPolarHBondContact O-CG 3.24Å; H154-M158 PolarHBondContact O-N 3.37Å
155	K	46.6	Very low	44.8	Very low	149 Å²	149	78.9 Å²	78.9	65%	0.648	42%	0.419	S	S	*	.	H	α-helix	trans	-64.7	-48.7	176.6	-172.4	170.8	-178.5	172.1	0	111.6	P152 F157 M158 E159	P152-K155 PolarHBondContact O-N 3.11Å; P152-K155 VanDerWaalsContact O-N 3.12Å; K155-F157 VanDerWaalsContact C-N 3.34Å; K155-F157 PolarHBondContact O-N 2.86Å; K155-M158 PolarHBondContact O-N 3.15Å; K155-E159 WeakPolarHBondContact O-CB 3.45Å; K155-E159 PolarHBondContact O-N 2.66Å
156	S	51.1	Low	46.7	Very low	78 Å²	78	75.1 Å²	75.1	55%	0.545	40%	0.398	S	S	.	.	H	α-helix	trans	-66.4	-33	178.1	-59.7	0	0	0	0	113.3	P152 G160	P152-S156 PolarHBondContact O-N 2.88Å; P152-S156 PolarHBondContact O-OG 2.9Å; S156-G160 PolarHBondContact O-N 2.8Å
157	F	53.1	Low	48.7	Very low	55 Å²	55	70.9 Å²	70.9	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-67	-46.4	173.2	176.3	-93.7	0	0	0	111.7	F102 Y103 L153 H154 K155 G160 L161	F102-F157 AromaticContact CD1-CE2 3.96Å; F102-F157 HydrophobicContact CD1-CE2 3.96Å; F102-F157 AromaticContact CD1-CZ 3.84Å; F102-F157 HydrophobicContact CD1-CZ 3.84Å; F102-F157 HydrophobicContact CE1-CE2 4.23Å; F102-F157 HydrophobicContact CE1-CZ 4.33Å; Y103-F157 AromaticContact CD2-CE1 3.65Å; Y103-F157 HydrophobicContact CD2-CE1 3.65Å; Y103-F157 HydrophobicContact CD2-CZ 4.47Å; Y103-F157 HydrophobicContact CE2-CE1 4.32Å; Y103-F157 HydrophobicContact CG-CE1 4.35Å; L153-F157 WeakPolarHBondContact O-CB 3.22Å; L153-F157 PolarHBondContact O-N 3.25Å; H154-F157 PolarHBondContact O-N 3.4Å; K155-F157 VanDerWaalsContact C-N 3.34Å; K155-F157 PolarHBondContact O-N 2.86Å; F157-G160 PolarHBondContact O-N 3.44Å; F157-L161 HydrophobicContact CD1-CD1 4.04Å; F157-L161 HydrophobicContact CD1-CG 4.46Å; F157-L161 HydrophobicContact CE1-CD1 3.4Å; F157-L161 HydrophobicContact CE1-CG 3.99Å; F157-L161 HydrophobicContact CZ-CD1 3.92Å; F157-L161 HydrophobicContact CZ-CG 4.16Å; F157-L161 PolarHBondContact O-N 2.76Å
158	M	52.1	Low	50.5	Low	8 Å²	8	68.2 Å²	68.2	4%	0.039	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-39.6	177.1	-66.4	-76.6	-90.6	0	0	111.4	Y103 H154 K155 L161 F162 A216	Y103-M158 HydrophobicContact CE2-SD 3.68Å; Y103-M158 VanDerWaalsContact OH-CE 3.28Å; Y103-M158 WeakPolarHBondContact OH-CE 3.26Å; Y103-M158 PolarHBondContact OH-SD 3.47Å; H154-M158 WeakPolarHBondContact O-CB 3.27Å; H154-M158 WeakPolarHBondContact O-CG 3.24Å; H154-M158 PolarHBondContact O-N 3.37Å; K155-M158 PolarHBondContact O-N 3.15Å; M158-L161 WeakPolarHBondContact O-CB 3.47Å; M158-L161 PolarHBondContact O-N 2.85Å; M158-L161 HydrophobicContact SD-CD1 4.39Å; M158-F162 WeakPolarHBondContact O-CD2 3.34Å; M158-F162 PolarHBondContact O-N 3.25Å; M158-A216 HydrophobicContact CE-CB 3.46Å; M158-A216 VanDerWaalsContact CE-CB 3.46Å; M158-A216 HydrophobicContact SD-CB 4.19Å
159	E	54.5	Low	52.2	Low	82 Å²	82	65.4 Å²	65.4	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-38.5	173.4	-165.3	-172.4	146.9	0	0	112	K155 F162 R163	K155-E159 WeakPolarHBondContact O-CB 3.45Å; K155-E159 PolarHBondContact O-N 2.66Å; E159-F162 PolarHBondContact O-N 3.18Å; E159-R163 VanDerWaalsContact O-CG 3.27Å; E159-R163 WeakPolarHBondContact O-CG 3.42Å; E159-R163 PolarHBondContact O-N 2.8Å; E159-R163 IonicContact OE1-CZ 2.66Å; E159-R163 VanDerWaalsContact OE1-CZ 3.31Å; E159-R163 IonicContact OE1-NE 3.98Å; E159-R163 PolarHBondContact OE1-NE 3.24Å; E159-R163 VanDerWaalsContact OE1-NE 3.16Å; E159-R163 IonicContact OE1-NH2 3.47Å; E159-R163 PolarHBondContact OE1-NH2 2.87Å
160	G	58.3	Low	53.8	Low	30 Å²	30	59.7 Å²	59.7	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-44.2	172.6	0	0	0	0	0	112.8	S156 F157 R163 L164	S156-G160 PolarHBondContact O-N 2.8Å; F157-G160 PolarHBondContact O-N 3.44Å; G160-R163 PolarHBondContact O-N 2.7Å; G160-L164 PolarHBondContact O-N 3.11Å
161	L	57.2	Low	55.4	Low	11 Å²	11	57 Å²	57	6%	0.058	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-50.4	170	-79.7	178	0	0	0	110.8	C99 Y103 F157 M158 R163 L164 Y165	C99-L161 HydrophobicContact CB-CD2 3.85Å; Y103-L161 HydrophobicContact CG-CD1 4.48Å; F157-L161 HydrophobicContact CD1-CD1 4.04Å; F157-L161 HydrophobicContact CD1-CG 4.46Å; F157-L161 HydrophobicContact CE1-CD1 3.4Å; F157-L161 HydrophobicContact CE1-CG 3.99Å; F157-L161 HydrophobicContact CZ-CD1 3.92Å; F157-L161 HydrophobicContact CZ-CG 4.16Å; F157-L161 PolarHBondContact O-N 2.76Å; M158-L161 WeakPolarHBondContact O-CB 3.47Å; M158-L161 PolarHBondContact O-N 2.85Å; M158-L161 HydrophobicContact SD-CD1 4.39Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3.11Å; L161-L164 WeakPolarHBondContact O-CA 3.45Å; L161-L164 VanDerWaalsContact O-CB 3.29Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.09Å; L161-Y165 HydrophobicContact CB-CE2 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 4.47Å; L161-Y165 WeakPolarHBondContact O-CD2 2.67Å; L161-Y165 PolarHBondContact O-N 2.9Å
162	F	55.2	Low	56.9	Low	7 Å²	7	60.1 Å²	60.1	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-60.7	-38.1	-178.7	-86	-59.9	0	0	0	113.3	M158 E159 L164 Y165 E166 Y173 A216 L220	M158-F162 WeakPolarHBondContact O-CD2 3.34Å; M158-F162 PolarHBondContact O-N 3.25Å; E159-F162 PolarHBondContact O-N 3.18Å; F162-L164 PolarHBondContact O-N 3.42Å; F162-Y165 CarbonylContact O-C 3.49Å; F162-Y165 PolarHBondContact O-N 2.85Å; F162-E166 PolarHBondContact O-N 2.82Å; F162-Y173 HydrophobicContact CB-CD1 3.91Å; F162-Y173 HydrophobicContact CB-CE1 3.78Å; F162-Y173 HydrophobicContact CB-CG 4.46Å; F162-Y173 AromaticContact CD1-CD1 3.64Å; F162-Y173 HydrophobicContact CD1-CD1 3.64Å; F162-Y173 AromaticContact CD1-CD2 3.75Å; F162-Y173 HydrophobicContact CD1-CD2 3.75Å; F162-Y173 HydrophobicContact CD1-CE1 4.21Å; F162-Y173 HydrophobicContact CD1-CE2 4.3Å; F162-Y173 AromaticContact CD1-CG 3.37Å; F162-Y173 HydrophobicContact CD1-CG 3.37Å; F162-Y173 HydrophobicContact CE1-CD2 4.07Å; F162-Y173 AromaticContact CE1-CG 3.94Å; F162-Y173 HydrophobicContact CE1-CG 3.94Å; F162-Y173 HydrophobicContact CG-CD1 4.2Å; F162-Y173 HydrophobicContact CG-CD2 4.49Å; F162-Y173 HydrophobicContact CG-CE1 4.36Å; F162-Y173 HydrophobicContact CG-CG 4.27Å; F162-Y173 VanDerWaalsContact O-CD1 3.26Å; F162-Y173 WeakPolarHBondContact O-CD1 3.49Å; F162-A216 HydrophobicContact CE1-CB 4.46Å; F162-A216 HydrophobicContact CE2-CB 3.6Å; F162-A216 HydrophobicContact CZ-CB 3.47Å; F162-A216 VanDerWaalsContact CZ-CB 3.47Å; F162-L220 HydrophobicContact CD2-CD1 3.54Å; F162-L220 HydrophobicContact CD2-CG 4.44Å; F162-L220 HydrophobicContact CE2-CD1 3.27Å; F162-L220 HydrophobicContact CE2-CG 3.82Å; F162-L220 HydrophobicContact CG-CD1 4.43Å; F162-L220 HydrophobicContact CZ-CD1 3.99Å
163	R	60.9	Low	58.1	Low	114 Å²	114	59.8 Å²	59.8	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-65.2	-18.3	172.4	-69.4	164.5	179.2	-118.8	8	113.9	P53 V56 E159 G160 L161	P53-R163 WeakPolarHBondContact CD-O 3.18Å; P53-R163 WeakPolarHBondContact CG-O 3.47Å; V56-R163 HydrophobicContact CG2-CB 4.29Å; E159-R163 VanDerWaalsContact O-CG 3.27Å; E159-R163 WeakPolarHBondContact O-CG 3.42Å; E159-R163 PolarHBondContact O-N 2.8Å; E159-R163 IonicContact OE1-CZ 2.66Å; E159-R163 VanDerWaalsContact OE1-CZ 3.31Å; E159-R163 IonicContact OE1-NE 3.98Å; E159-R163 PolarHBondContact OE1-NE 3.24Å; E159-R163 VanDerWaalsContact OE1-NE 3.16Å; E159-R163 IonicContact OE1-NH2 3.47Å; E159-R163 PolarHBondContact OE1-NH2 2.87Å; G160-R163 PolarHBondContact O-N 2.7Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3.11Å
164	L	59.5	Low	59.2	Low	8 Å²	8	55.5 Å²	55.5	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-78.9	-27.8	168.1	-67	167.8	0	0	0	112.5	V52 V56 G160 L161 F162	V52-L164 HydrophobicContact CG1-CD2 3.71Å; V52-L164 HydrophobicContact CG2-CD2 4.33Å; V56-L164 HydrophobicContact CB-CD2 4.25Å; V56-L164 HydrophobicContact CG1-CD2 3.5Å; V56-L164 HydrophobicContact CG1-CG 4.11Å; G160-L164 PolarHBondContact O-N 3.11Å; L161-L164 WeakPolarHBondContact O-CA 3.45Å; L161-L164 VanDerWaalsContact O-CB 3.29Å; L161-L164 WeakPolarHBondContact O-CB 3.47Å; L161-L164 PolarHBondContact O-N 3.09Å; F162-L164 PolarHBondContact O-N 3.42Å
165	Y	61.6	Low	59.4	Low	4 Å²	4	52.2 Å²	52.2	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-97	-8	-178.8	-64.6	-71.9	0	0	0	114.7	W96 C100 L161 F162 C167 Y173 T174 L175 V209 I213	W96-Y165 AromaticContact CE2-CE1 3.59Å; W96-Y165 HydrophobicContact CZ2-CD1 4.08Å; W96-Y165 AromaticContact CZ2-CE1 3.61Å; W96-Y165 HydrophobicContact CZ2-CE1 3.61Å; W96-Y165 AromaticContact NE1-CE1 3.1Å; W96-Y165 AromaticContact NE1-CZ 3.22Å; W96-Y165 PolarHBondContact NE1-OH 3.29Å; C100-Y165 PolarHBondContact SG-OH 3.08Å; L161-Y165 HydrophobicContact CB-CE2 4.45Å; L161-Y165 HydrophobicContact CD2-CE2 4.47Å; L161-Y165 WeakPolarHBondContact O-CD2 2.67Å; L161-Y165 PolarHBondContact O-N 2.9Å; F162-Y165 CarbonylContact O-C 3.49Å; F162-Y165 PolarHBondContact O-N 2.85Å; Y165-C167 PolarHBondContact O-N 2.92Å; Y165-Y173 CarbonylContact O-C 3.55Å; Y165-Y173 WeakPolarHBondContact O-CA 3.14Å; Y165-T174 PolarHBondContact O-N 2.92Å; Y165-L175 VanDerWaalsContact O-CG 3.32Å; Y165-L175 WeakPolarHBondContact O-CG 3.24Å; Y165-L175 PolarHBondContact O-N 3.1Å; Y165-V209 HydrophobicContact CE1-CG1 4.1Å; Y165-I213 HydrophobicContact CD1-CD1 3.63Å; Y165-I213 HydrophobicContact CD1-CG1 3.79Å; Y165-I213 HydrophobicContact CD2-CG1 4.09Å; Y165-I213 HydrophobicContact CE1-CD1 3.36Å; Y165-I213 HydrophobicContact CE1-CG1 3.47Å; Y165-I213 VanDerWaalsContact CE1-CG1 3.47Å; Y165-I213 HydrophobicContact CE2-CG1 3.84Å; Y165-I213 HydrophobicContact CG-CD1 4.36Å; Y165-I213 HydrophobicContact CG-CG1 4.08Å
166	E	66.2	Low	59.7	Low	43 Å²	43	50 Å²	50	20%	0.201	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-69	114.2	-178.5	-169.1	-179.4	178.2	0	0	111	F162 P168 N171 Y173	F162-E166 PolarHBondContact O-N 2.82Å; E166-P168 VanDerWaalsContact O-CD 3.3Å; E166-P168 WeakPolarHBondContact O-CD 3.23Å; E166-N171 HydrophobicContact CG-CB 4.45Å; E166-N171 VanDerWaalsContact OE1-CB 3.31Å; E166-N171 WeakPolarHBondContact OE1-CB 3.49Å; E166-N171 VanDerWaalsContact OE1-CG 3.29Å; E166-N171 PolarHBondContact OE1-ND2 3.21Å; E166-Y173 HydrophobicContact CB-CD1 3.89Å; E166-Y173 HydrophobicContact CB-CE1 3.84Å; E166-Y173 HydrophobicContact CG-CD1 4.31Å; E166-Y173 HydrophobicContact CG-CE1 4.02Å
167	C	66.5	Low	59.6	Low	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.251	C	S	.	.			trans	-66.5	117.5	172.8	172.5	0	0	0	0	110.5	C77 C82 Y84 Y165 A169 C170 N171 Q172 L175	C77-C167 HydrophobicContact CB-CB 4.04Å; C77-C167 VanDerWaalsContact CB-SG 3.57Å; C77-C167 WeakPolarHBondContact SG-CB 3.48Å; C82-C167 VanDerWaalsContact SG-SG 3.61Å; Y84-C167 VanDerWaalsContact CB-SG 3.53Å; Y165-C167 PolarHBondContact O-N 2.92Å; C167-A169 PolarHBondContact O-N 3.22Å; C167-C170 PolarHBondContact O-N 2.72Å; C167-C170 VanDerWaalsContact O-N 3.15Å; C167-N171 WeakPolarHBondContact O-CA 3.4Å; C167-N171 PolarHBondContact O-N 2.97Å; C167-Q172 PolarHBondContact N-O 2.74Å; C167-L175 HydrophobicContact CB-CD2 4.04Å; C167-L175 HydrophobicContact CB-CG 4.36Å
168	P	65.3	Low	59.1	Low	70 Å²	70	47.9 Å²	47.9	46%	0.455	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	2.9	-175.3	30.8	-36.7	0	0	0	114.4	Y84 E166	Y84-P168 HydrophobicContact CD2-CG 4.28Å; Y84-P168 HydrophobicContact CE1-CG 4.08Å; Y84-P168 HydrophobicContact CE2-CG 3.61Å; Y84-P168 VanDerWaalsContact CZ-CG 3.49Å; E166-P168 VanDerWaalsContact O-CD 3.3Å; E166-P168 WeakPolarHBondContact O-CD 3.23Å
169	A	65.9	Low	58.7	Low	64 Å²	64	51.8 Å²	51.8	53%	0.529	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-9.6	174.7	0	0	0	0	0	114.4	Y84 C167	Y84-A169 HydrophobicContact CD2-CB 3.96Å; Y84-A169 HydrophobicContact CG-CB 4.18Å; C167-A169 PolarHBondContact O-N 3.22Å
170	C	70.2	Confident	57.8	Low	35 Å²	35	52 Å²	52	24%	0.236	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.6	2.4	178.8	64.6	0	0	0	0	115.1	T79 C167 Q172	T79-C170 HydrophobicContact CG2-CB 4.48Å; C167-C170 PolarHBondContact O-N 2.72Å; C167-C170 VanDerWaalsContact O-N 3.15Å; C170-Q172 HydrophobicContact CB-CG 4.37Å; C170-Q172 WeakPolarHBondContact O-CG 3.41Å; C170-Q172 PolarHBondContact O-N 2.81Å; C170-Q172 PolarHBondContact O-NE2 3.1Å
171	N	67.1	Low	56.5	Low	100 Å²	100	58.5 Å²	58.5	54%	0.535	30%	0.3	S	S	.	.			trans	53.7	38.8	176.8	-60.3	61.1	0	0	0	112.8	E166 C167	E166-N171 HydrophobicContact CG-CB 4.45Å; E166-N171 VanDerWaalsContact OE1-CB 3.31Å; E166-N171 WeakPolarHBondContact OE1-CB 3.49Å; E166-N171 VanDerWaalsContact OE1-CG 3.29Å; E166-N171 PolarHBondContact OE1-ND2 3.21Å; C167-N171 WeakPolarHBondContact O-CA 3.4Å; C167-N171 PolarHBondContact O-N 2.97Å
172	Q	63.8	Low	55.1	Low	96 Å²	96	61.9 Å²	61.9	45%	0.449	33%	0.325	S	S	.	.			trans	-114.7	139.3	176.8	-60.2	-52.2	-67.6	0	0	109.8	T79 C167 C170 T174	T79-Q172 HydrophobicContact CG2-CG 3.96Å; T79-Q172 WeakPolarHBondContact OG1-CB 3.36Å; T79-Q172 VanDerWaalsContact OG1-CG 3.28Å; T79-Q172 WeakPolarHBondContact OG1-CG 3.34Å; C167-Q172 PolarHBondContact N-O 2.74Å; C170-Q172 HydrophobicContact CB-CG 4.37Å; C170-Q172 WeakPolarHBondContact O-CG 3.41Å; C170-Q172 PolarHBondContact O-N 2.81Å; C170-Q172 PolarHBondContact O-NE2 3.1Å; Q172-T174 HydrophobicContact CB-CG2 4.42Å; Q172-T174 PolarHBondContact O-N 3.03Å
173	Y	60.2	Low	53.7	Low	93 Å²	93	67.2 Å²	67.2	37%	0.365	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-81	60.4	-175.1	-54	-60.5	0	0	0	112.6	F162 Y165 E166	F162-Y173 HydrophobicContact CB-CD1 3.91Å; F162-Y173 HydrophobicContact CB-CE1 3.78Å; F162-Y173 HydrophobicContact CB-CG 4.46Å; F162-Y173 AromaticContact CD1-CD1 3.64Å; F162-Y173 HydrophobicContact CD1-CD1 3.64Å; F162-Y173 AromaticContact CD1-CD2 3.75Å; F162-Y173 HydrophobicContact CD1-CD2 3.75Å; F162-Y173 HydrophobicContact CD1-CE1 4.21Å; F162-Y173 HydrophobicContact CD1-CE2 4.3Å; F162-Y173 AromaticContact CD1-CG 3.37Å; F162-Y173 HydrophobicContact CD1-CG 3.37Å; F162-Y173 HydrophobicContact CE1-CD2 4.07Å; F162-Y173 AromaticContact CE1-CG 3.94Å; F162-Y173 HydrophobicContact CE1-CG 3.94Å; F162-Y173 HydrophobicContact CG-CD1 4.2Å; F162-Y173 HydrophobicContact CG-CD2 4.49Å; F162-Y173 HydrophobicContact CG-CE1 4.36Å; F162-Y173 HydrophobicContact CG-CG 4.27Å; F162-Y173 VanDerWaalsContact O-CD1 3.26Å; F162-Y173 WeakPolarHBondContact O-CD1 3.49Å; Y165-Y173 CarbonylContact O-C 3.55Å; Y165-Y173 WeakPolarHBondContact O-CA 3.14Å; E166-Y173 HydrophobicContact CB-CD1 3.89Å; E166-Y173 HydrophobicContact CB-CE1 3.84Å; E166-Y173 HydrophobicContact CG-CD1 4.31Å; E166-Y173 HydrophobicContact CG-CE1 4.02Å
174	T	57.2	Low	52.1	Low	44 Å²	44	67 Å²	67	27%	0.27	37%	0.369	S	S	.	.			trans	-137.7	39.1	-167	61.3	0	0	0	0	113	C77 A78 T79 Y165 Q172	C77-T174 CarbonylContact C-O 3.52Å; C77-T174 WeakPolarHBondContact CA-O 3.28Å; C77-T174 PolarHBondContact SG-OG1 2.92Å; A78-T174 PolarHBondContact N-O 3.21Å; T79-T174 PolarHBondContact N-OG1 3.4Å; T79-T174 PolarHBondContact OG1-OG1 3.27Å; Y165-T174 PolarHBondContact O-N 2.92Å; Q172-T174 HydrophobicContact CB-CG2 4.42Å; Q172-T174 PolarHBondContact O-N 3.03Å
175	L	54.8	Low	50.3	Low	5 Å²	5	73 Å²	73	3%	0.026	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.9	174.5	-74.2	-179.5	0	0	0	111.6	V75 L76 Y84 Y165 C167	V75-L175 HydrophobicContact CG1-CB 3.65Å; V75-L175 HydrophobicContact CG1-CD1 4.33Å; V75-L175 HydrophobicContact CG1-CD2 3.96Å; V75-L175 HydrophobicContact CG1-CG 4.18Å; L76-L175 CarbonylContact O-C 3.57Å; L76-L175 WeakPolarHBondContact O-CA 3.37Å; Y84-L175 HydrophobicContact CD1-CD2 3.81Å; Y84-L175 HydrophobicContact CE1-CD2 3.81Å; Y165-L175 VanDerWaalsContact O-CG 3.32Å; Y165-L175 WeakPolarHBondContact O-CG 3.24Å; Y165-L175 PolarHBondContact O-N 3.1Å; C167-L175 HydrophobicContact CB-CD2 4.04Å; C167-L175 HydrophobicContact CB-CG 4.36Å
176	Y	52.4	Low	48.7	Very low	104 Å²	104	77.2 Å²	77.2	41%	0.408	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.8	177.3	72.2	-86.4	0	0	0	112.2	V75 L76 A78	V75-Y176 CarbonylContact C-O 3.59Å; V75-Y176 WeakPolarHBondContact CA-O 3.3Å; L76-Y176 HydrophobicContact CB-CD1 4.08Å; L76-Y176 HydrophobicContact CB-CD2 4.48Å; L76-Y176 HydrophobicContact CB-CE1 3.54Å; L76-Y176 HydrophobicContact CB-CE2 3.98Å; L76-Y176 VanDerWaalsContact CB-CZ 3.48Å; L76-Y176 HydrophobicContact CD1-CE2 4.24Å; L76-Y176 PolarHBondContact N-O 3.21Å; L76-Y176 WeakPolarHBondContact O-CD1 3.34Å; L76-Y176 PolarHBondContact O-N 3.3Å; A78-Y176 HydrophobicContact CB-CD1 3.84Å; A78-Y176 HydrophobicContact CB-CE1 3.97Å
177	R	48.9	Very low	46.8	Very low	64 Å²	64	82.1 Å²	82.1	24%	0.242	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	126.8	178.8	173.4	177.7	179.6	-179.4	1.9	110.6	V73 W96 D97 F206	V73-R177 HydrophobicContact CG1-CG 3.84Å; W96-R177 HydrophobicContact CH2-CB 4.46Å; D97-R177 IonicContact OD2-NH1 2.84Å; R177-F206 HydrophobicContact CB-CE1 3.89Å; R177-F206 HydrophobicContact CG-CE1 3.79Å; R177-F206 HydrophobicContact CG-CZ 4.03Å
178	S	44.5	Very low	45.1	Very low	23 Å²	23	86.8 Å²	86.8	16%	0.161	50%	0.502	C	S	.	.			trans	-84.1	131.6	165.1	61.3	0	0	0	0	111.4	Q74 L76 I180	Q74-S178 PolarHBondContact O-N 3.15Å; Q74-S178 PolarHBondContact O-OG 2.81Å; L76-S178 WeakPolarHBondContact CD1-OG 3.29Å; S178-I180 PolarHBondContact O-N 3.13Å
179	S	42.7	Very low	43.3	Very low	90 Å²	90	91 Å²	91	63%	0.629	52%	0.521	S	S	*	.			trans	-93.6	72.7	171.8	41.1	0	0	0	0	110	H181	S179-H181 VanDerWaalsContact C-N 3.32Å; S179-H181 PolarHBondContact O-N 3.4Å
180	I	36.2	Very low	41.7	Very low	88 Å²	88	94.6 Å²	94.6	45%	0.451	54%	0.536	S	S	.	.			trans	-72.6	90.7	174.8	-51.4	-177.8	0	0	0	108.8	S178 S182	S178-I180 PolarHBondContact O-N 3.13Å; I180-S182 WeakPolarHBondContact CG2-OG 3.18Å; I180-S182 PolarHBondContact O-N 3.1Å
181	H	30.3	Very low	39.7	Very low	166 Å²	166	99.5 Å²	99.5	77%	0.769	57%	0.565	S	S	*	*			trans	-80.7	62.5	-177.1	-157.1	-67.7	0	0	0	111.3	S179 T183	S179-H181 VanDerWaalsContact C-N 3.32Å; S179-H181 PolarHBondContact O-N 3.4Å; H181-T183 PolarHBondContact O-N 3.01Å
182	S	27.6	Very low	37.7	Very low	82 Å²	82	97.9 Å²	97.9	57%	0.573	57%	0.571	S	S	*	*			trans	-62.2	90.6	-177.4	-64.2	0	0	0	0	112.4	I180 V184	I180-S182 WeakPolarHBondContact CG2-OG 3.18Å; I180-S182 PolarHBondContact O-N 3.1Å; S182-V184 PolarHBondContact O-N 3.18Å
183	T	25.1	Very low	36	Very low	118 Å²	118	102.4 Å²	102.4	72%	0.724	59%	0.593	S	S	*	*			trans	-73	70.4	169.9	52.7	0	0	0	0	110.5	H181 T185	H181-T183 PolarHBondContact O-N 3.01Å; T183-T185 PolarHBondContact O-N 3.27Å
184	V	27.3	Very low	34.3	Very low	109 Å²	109	104.6 Å²	104.6	66%	0.661	62%	0.616	S	S	*	*			trans	-81.3	103.7	171.6	-169.8	0	0	0	0	108.3	S182 S186	S182-V184 PolarHBondContact O-N 3.18Å; V184-S186 WeakPolarHBondContact CG1-OG 3.25Å; V184-S186 PolarHBondContact O-N 3.43Å
185	T	23.5	Very low	32.9	Very low	136 Å²	136	108.1 Å²	108.1	83%	0.834	64%	0.639	S	S	*	*			trans	-70.8	80.1	169.6	46.2	0	0	0	0	110.2	T183	T183-T185 PolarHBondContact O-N 3.27Å
186	S	27.9	Very low	31.5	Very low	92 Å²	92	116.4 Å²	116.4	64%	0.643	68%	0.678	S	S	*	*			trans	-94	100.4	172	-69.1	0	0	0	0	110.4	V184 S188	V184-S186 WeakPolarHBondContact CG1-OG 3.25Å; V184-S186 PolarHBondContact O-N 3.43Å; S186-S188 PolarHBondContact O-N 3.15Å
187	T	24.8	Very low	30.2	Very low	145 Å²	145	118 Å²	118	89%	0.89	70%	0.698	S	S	*	*			trans	-79.1	103.5	170.2	48.9	0	0	0	0	110.5
188	S	32.4	Very low	29.1	Very low	99 Å²	99	122.4 Å²	122.4	69%	0.692	73%	0.726	S	S	*	*			trans	-140.7	132.2	164.8	50.5	0	0	0	0	110.7	S186	S186-S188 PolarHBondContact O-N 3.15Å
189	N	25.7	Very low	28.2	Very low	159 Å²	159	127 Å²	127	85%	0.85	76%	0.758	S	S	*	*			trans	-93.3	113.6	-176.2	-67.2	-42.6	0	0	0	110.1
190	V	33.3	Very low	27.6	Very low	139 Å²	139	128 Å²	128	84%	0.842	77%	0.765	S	S	*	*			trans	-131.5	123	159.8	-175.6	0	0	0	0	109.1
191	T	27.1	Very low	27.3	Very low	138 Å²	138	127 Å²	127	85%	0.847	76%	0.763	S	S	*	*			trans	-85.5	137.5	-177.2	48	0	0	0	0	112.4
192	G	25.1	Very low	27.4	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	75%	0.753	S	S	*	*			trans	103.5	69.1	151.1	0	0	0	0	0	117.6
193	Q	30	Very low	27.8	Very low	192 Å²	192	122 Å²	122	90%	0.897	75%	0.745	S	S	*	*			trans	-162.3	141.9	144.8	-107.8	143.7	98.6	0	0	110.7	P195	Q193-P195 WeakPolarHBondContact O-CD 3.42Å
194	T	23.4	Very low	28.1	Very low	138 Å²	138	120.3 Å²	120.3	85%	0.847	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-86.3	118.1	-177.4	43.2	0	0	0	0	112.3
195	P	27.8	Very low	28.5	Very low	118 Å²	118	117 Å²	117	77%	0.766	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-83.6	133.2	170.5	-5	24.4	0	0	0	110.8	Q193	Q193-P195 WeakPolarHBondContact O-CD 3.42Å
196	Q	24.9	Very low	29.2	Very low	180 Å²	180	113.1 Å²	113.1	84%	0.841	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-78.1	135.5	170.8	-65.4	-179.7	-1.1	0	0	110.4	L198	Q196-L198 PolarHBondContact O-N 2.99Å
197	T	26.1	Very low	29.8	Very low	136 Å²	136	112.7 Å²	112.7	83%	0.834	67%	0.674	S	S	*	*			trans	-83	97.1	-175.6	51.1	0	0	0	0	112.5
198	L	26.2	Very low	30.6	Very low	158 Å²	158	107 Å²	107	83%	0.827	64%	0.64	S	S	*	*			trans	-93.7	119.5	159.3	-89.7	70.4	0	0	0	109.4	Q196	Q196-L198 PolarHBondContact O-N 2.99Å
199	S	25.6	Very low	31.1	Very low	118 Å²	118	103.2 Å²	103.2	83%	0.825	61%	0.613	S	S	*	*			trans	-118.4	82.4	-175.3	51	0	0	0	0	112.9
200	S	28.7	Very low	32.2	Very low	113 Å²	113	98.3 Å²	98.3	79%	0.79	59%	0.586	S	S	*	*			trans	-97.1	122.2	167	45.1	0	0	0	0	110.6
201	T	30.3	Very low	32.8	Very low	65 Å²	65	95.3 Å²	95.3	40%	0.399	57%	0.57	S	S	.	*			trans	-87.2	116.6	-178.9	34.6	0	0	0	0	110.8	S203 N204	T201-S203 VanDerWaalsContact C-N 3.35Å; T201-S203 PolarHBondContact O-N 3.03Å; T201-N204 PolarHBondContact O-ND2 2.98Å; T201-N204 PolarHBondContact OG1-ND2 3.28Å
202	P	33.7	Very low	33.7	Very low	85 Å²	85	89 Å²	89	55%	0.552	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.7	-164	28.8	-36.4	0	0	0	115.1	N204 H205 F206	P202-N204 VanDerWaalsContact C-N 3.3Å; P202-N204 PolarHBondContact O-N 2.91Å; P202-H205 PolarHBondContact O-N 3.38Å; P202-F206 WeakPolarHBondContact O-CD2 3.21Å
203	S	34.7	Very low	34.9	Very low	58 Å²	58	87 Å²	87	41%	0.406	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-37.4	-175.3	53.8	0	0	0	0	113.7	T201 H205	T201-S203 VanDerWaalsContact C-N 3.35Å; T201-S203 PolarHBondContact O-N 3.03Å; S203-H205 PolarHBondContact O-N 3.42Å
204	N	31	Very low	35.8	Very low	83 Å²	83	81.4 Å²	81.4	44%	0.444	48%	0.48	S	S	.	.	H	α-helix	trans	-72.2	-13.6	-173.2	-47	-74.4	0	0	0	113.6	T201 P202	T201-N204 PolarHBondContact O-ND2 2.98Å; T201-N204 PolarHBondContact OG1-ND2 3.28Å; P202-N204 VanDerWaalsContact C-N 3.3Å; P202-N204 PolarHBondContact O-N 2.91Å
205	H	37.3	Very low	36.9	Very low	39 Å²	39	79.1 Å²	79.1	18%	0.181	46%	0.456	C	S	.	.	H	α-helix	trans	-90.4	-29.1	-171.9	-140.8	-76.1	0	0	0	113.1	D97 D101 P202 S203 T207 S208 V209	D97-H205 PolarHBondContact O-CE1 3.23Å; D97-H205 IonicContact OD1-ND1 2.7Å; D101-H205 IonicContact OD1-CD2 3.31Å; D101-H205 IonicContact OD1-CE1 3.16Å; D101-H205 IonicContact OD1-NE2 3.93Å; D101-H205 PolarHBondContact OD1-NE2 2.92Å; D101-H205 VanDerWaalsContact OD1-NE2 3.12Å; D101-H205 IonicContact OD2-CD2 2.85Å; D101-H205 IonicContact OD2-CE1 3.24Å; D101-H205 IonicContact OD2-NE2 3.48Å; D101-H205 PolarHBondContact OD2-NE2 3.2Å; P202-H205 PolarHBondContact O-N 3.38Å; S203-H205 PolarHBondContact O-N 3.42Å; H205-T207 PolarHBondContact O-N 3Å; H205-S208 PolarHBondContact O-OG 3.08Å; H205-V209 VanDerWaalsContact O-CG2 3.24Å; H205-V209 WeakPolarHBondContact O-CG2 3.36Å; H205-V209 PolarHBondContact O-N 3.02Å
206	F	37.9	Very low	37.8	Very low	55 Å²	55	73.7 Å²	73.7	24%	0.241	42%	0.421	C	S	.	.	H	α-helix	trans	-66	-40.8	179.9	-72.9	-97.7	0	0	0	112.2	R177 P202 L210	R177-F206 HydrophobicContact CB-CE1 3.89Å; R177-F206 HydrophobicContact CG-CE1 3.79Å; R177-F206 HydrophobicContact CG-CZ 4.03Å; P202-F206 WeakPolarHBondContact O-CD2 3.21Å; F206-L210 WeakPolarHBondContact O-CD1 3.21Å; F206-L210 WeakPolarHBondContact O-CG 3.13Å; F206-L210 PolarHBondContact O-N 3.4Å
207	T	40.4	Very low	39	Very low	84 Å²	84	67.5 Å²	67.5	52%	0.515	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-41.2	-177.9	-43.7	0	0	0	0	112.3	H205 L210 C211	H205-T207 PolarHBondContact O-N 3Å; T207-L210 PolarHBondContact O-N 2.92Å; T207-C211 PolarHBondContact O-N 2.8Å; T207-C211 VanDerWaalsContact O-N 3.08Å; T207-C211 PolarHBondContact O-SG 2.97Å; T207-C211 VanDerWaalsContact O-SG 3.34Å
208	S	40.3	Very low	40.2	Very low	26 Å²	26	65 Å²	65	18%	0.182	38%	0.375	C	S	.	.	H	α-helix	trans	-64.4	-44.3	177.9	39.7	0	0	0	0	112.3	C104 H205 L210 C211 A212	C104-S208 VanDerWaalsContact SG-CB 3.59Å; H205-S208 PolarHBondContact O-OG 3.08Å; S208-L210 PolarHBondContact O-N 2.29Å; S208-C211 PolarHBondContact O-N 2.92Å; S208-A212 WeakPolarHBondContact O-CB 3.45Å; S208-A212 PolarHBondContact O-N 3.32Å
209	V	44.1	Very low	41.2	Very low	18 Å²	18	61.3 Å²	61.3	11%	0.109	35%	0.352	C	S	.	.	H	α-helix	trans	-54.8	-49.8	174.2	169.2	0	0	0	0	111.1	W96 C100 Y165 H205 A212 I213	W96-V209 HydrophobicContact CZ2-CG1 4.42Å; C100-V209 HydrophobicContact CB-CG2 3.95Å; Y165-V209 HydrophobicContact CE1-CG1 4.1Å; H205-V209 VanDerWaalsContact O-CG2 3.24Å; H205-V209 WeakPolarHBondContact O-CG2 3.36Å; H205-V209 PolarHBondContact O-N 3.02Å; V209-A212 WeakPolarHBondContact O-CB 3.43Å; V209-A212 PolarHBondContact O-N 2.86Å; V209-I213 HydrophobicContact CG1-CD1 4.17Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 2.75Å; V209-I213 VanDerWaalsContact O-N 3.16Å
210	L	47.5	Very low	42.1	Very low	57 Å²	57	58.4 Å²	58.4	30%	0.298	33%	0.327	S	S	.	.	H	α-helix	trans	-66.7	-40.8	-177	-71.8	158.9	0	0	0	112.5	F206 T207 S208 A212 I213 Q214 Y574	F206-L210 WeakPolarHBondContact O-CD1 3.21Å; F206-L210 WeakPolarHBondContact O-CG 3.13Å; F206-L210 PolarHBondContact O-N 3.4Å; T207-L210 PolarHBondContact O-N 2.92Å; S208-L210 PolarHBondContact O-N 2.29Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.95Å; L210-I213 PolarHBondContact O-N 2.81Å; L210-Q214 PolarHBondContact O-N 3.49Å; L210-Y574 HydrophobicContact CB-CE1 4.43Å; L210-Y574 HydrophobicContact CD1-CE1 4.05Å
211	C	46.4	Very low	42.9	Very low	75 Å²	75	57.3 Å²	57.3	51%	0.507	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-37	173	-68.2	0	0	0	0	112.8	T207 S208 Y215	T207-C211 PolarHBondContact O-N 2.8Å; T207-C211 VanDerWaalsContact O-N 3.08Å; T207-C211 PolarHBondContact O-SG 2.97Å; T207-C211 VanDerWaalsContact O-SG 3.34Å; S208-C211 PolarHBondContact O-N 2.92Å; C211-Y215 WeakPolarHBondContact O-CB 3.36Å; C211-Y215 PolarHBondContact O-N 3.44Å
212	A	45.8	Very low	43.5	Very low	6 Å²	6	59.5 Å²	59.5	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-46.7	178.3	0	0	0	0	0	112.1	Y103 S208 V209 L210 Q214 A216	Y103-A212 HydrophobicContact CD1-CB 3.78Å; Y103-A212 HydrophobicContact CE1-CB 4.24Å; S208-A212 WeakPolarHBondContact O-CB 3.45Å; S208-A212 PolarHBondContact O-N 3.32Å; V209-A212 WeakPolarHBondContact O-CB 3.43Å; V209-A212 PolarHBondContact O-N 2.86Å; L210-A212 VanDerWaalsContact C-N 3.33Å; L210-A212 PolarHBondContact O-N 2.95Å; A212-Q214 PolarHBondContact O-N 3.09Å; A212-A216 WeakPolarHBondContact O-CB 3.39Å; A212-A216 PolarHBondContact O-N 2.68Å
213	I	50.6	Low	43.7	Very low	23 Å²	23	59 Å²	59	12%	0.118	32%	0.317	C	S	.	.	H	α-helix	trans	-58.4	-48.6	176.4	-59	161.7	0	0	0	110.5	Y165 V209 L210 A216 T217	Y165-I213 HydrophobicContact CD1-CD1 3.63Å; Y165-I213 HydrophobicContact CD1-CG1 3.79Å; Y165-I213 HydrophobicContact CD2-CG1 4.09Å; Y165-I213 HydrophobicContact CE1-CD1 3.36Å; Y165-I213 HydrophobicContact CE1-CG1 3.47Å; Y165-I213 VanDerWaalsContact CE1-CG1 3.47Å; Y165-I213 HydrophobicContact CE2-CG1 3.84Å; Y165-I213 HydrophobicContact CG-CD1 4.36Å; Y165-I213 HydrophobicContact CG-CG1 4.08Å; V209-I213 HydrophobicContact CG1-CD1 4.17Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 2.75Å; V209-I213 VanDerWaalsContact O-N 3.16Å; L210-I213 PolarHBondContact O-N 2.81Å; I213-A216 PolarHBondContact O-N 2.84Å; I213-T217 WeakPolarHBondContact O-CB 3.37Å; I213-T217 PolarHBondContact O-N 2.84Å; I213-T217 PolarHBondContact O-OG1 2.83Å
214	Q	49.3	Very low	43.8	Very low	74 Å²	74	63.1 Å²	63.1	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-47.6	-173.7	-174.1	170.7	-24.5	0	0	112.2	L210 A212 A216 T217 E218	L210-Q214 PolarHBondContact O-N 3.49Å; A212-Q214 PolarHBondContact O-N 3.09Å; Q214-A216 VanDerWaalsContact C-N 3.35Å; Q214-A216 PolarHBondContact O-N 3.34Å; Q214-T217 WeakPolarHBondContact O-CB 3.44Å; Q214-T217 PolarHBondContact O-N 3.41Å; Q214-T217 VanDerWaalsContact O-N 3.16Å; Q214-E218 PolarHBondContact O-N 2.93Å
215	Y	46.9	Very low	43.7	Very low	90 Å²	90	65.4 Å²	65.4	35%	0.353	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-38.7	177.1	174.9	-99.3	0	0	0	112.4	Y103 L107 C211 T217 E218 K219	Y103-Y215 HydrophobicContact CE1-CD1 4.29Å; Y103-Y215 VanDerWaalsContact OH-CD1 3.27Å; Y103-Y215 WeakPolarHBondContact OH-CD1 3.42Å; Y103-Y215 VanDerWaalsContact OH-CE1 3.31Å; Y103-Y215 WeakPolarHBondContact OH-CE1 3.46Å; L107-Y215 HydrophobicContact CD2-CD1 4.18Å; L107-Y215 HydrophobicContact CD2-CE1 3.82Å; C211-Y215 WeakPolarHBondContact O-CB 3.36Å; C211-Y215 PolarHBondContact O-N 3.44Å; Y215-T217 VanDerWaalsContact C-N 3.27Å; Y215-T217 PolarHBondContact O-N 2.75Å; Y215-E218 PolarHBondContact O-N 3.4Å; Y215-K219 HydrophobicContact CD1-CG 4.37Å; Y215-K219 HydrophobicContact CE1-CG 3.88Å; Y215-K219 HydrophobicContact CE2-CG 4.03Å; Y215-K219 WeakPolarHBondContact O-CG 3.36Å; Y215-K219 PolarHBondContact O-N 2.99Å; Y215-K219 VanDerWaalsContact OH-CE 3.29Å; Y215-K219 WeakPolarHBondContact OH-CE 3.34Å
216	A	46.5	Very low	43.1	Very low	4 Å²	4	68.1 Å²	68.1	3%	0.033	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-36.8	174.8	0	0	0	0	0	111.8	M158 F162 A212 I213 Q214 K219 L220	M158-A216 HydrophobicContact CE-CB 3.46Å; M158-A216 VanDerWaalsContact CE-CB 3.46Å; M158-A216 HydrophobicContact SD-CB 4.19Å; F162-A216 HydrophobicContact CE1-CB 4.46Å; F162-A216 HydrophobicContact CE2-CB 3.6Å; F162-A216 HydrophobicContact CZ-CB 3.47Å; F162-A216 VanDerWaalsContact CZ-CB 3.47Å; A212-A216 WeakPolarHBondContact O-CB 3.39Å; A212-A216 PolarHBondContact O-N 2.68Å; I213-A216 PolarHBondContact O-N 2.84Å; Q214-A216 VanDerWaalsContact C-N 3.35Å; Q214-A216 PolarHBondContact O-N 3.34Å; A216-K219 PolarHBondContact O-N 3.48Å; A216-L220 PolarHBondContact O-N 3.14Å
217	T	48.9	Very low	42.6	Very low	50 Å²	50	73.7 Å²	73.7	31%	0.307	39%	0.394	S	S	.	.	H	α-helix	trans	-68.9	-44	178.4	-56.7	0	0	0	0	110.7	I213 Q214 Y215 K219 L220 N221	I213-T217 WeakPolarHBondContact O-CB 3.37Å; I213-T217 PolarHBondContact O-N 2.84Å; I213-T217 PolarHBondContact O-OG1 2.83Å; Q214-T217 WeakPolarHBondContact O-CB 3.44Å; Q214-T217 PolarHBondContact O-N 3.41Å; Q214-T217 VanDerWaalsContact O-N 3.16Å; Y215-T217 VanDerWaalsContact C-N 3.27Å; Y215-T217 PolarHBondContact O-N 2.75Å; T217-K219 VanDerWaalsContact C-N 3.29Å; T217-K219 PolarHBondContact O-N 2.86Å; T217-L220 PolarHBondContact O-N 2.97Å; T217-N221 WeakPolarHBondContact O-CB 3.11Å; T217-N221 PolarHBondContact O-N 3.32Å; T217-N221 PolarHBondContact O-ND2 3.05Å
218	E	51.6	Low	41.9	Very low	83 Å²	83	78.6 Å²	78.6	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-39.4	172.4	-71.9	178	-173.9	0	0	112.2	Q214 Y215 Q222	Q214-E218 PolarHBondContact O-N 2.93Å; Y215-E218 PolarHBondContact O-N 3.4Å; E218-Q222 WeakPolarHBondContact O-CB 3.44Å; E218-Q222 WeakPolarHBondContact O-CG 3.43Å; E218-Q222 PolarHBondContact O-N 3.5Å; E218-Q222 PolarHBondContact O-NE2 2.78Å
219	K	48.9	Very low	41.2	Very low	82 Å²	82	83.2 Å²	83.2	36%	0.357	44%	0.443	S	S	.	.	H	α-helix	trans	-73.2	-35.3	179.4	-75.6	-71.4	164.3	-161.7	0	113.9	Y215 A216 T217 Q222 S223	Y215-K219 HydrophobicContact CD1-CG 4.37Å; Y215-K219 HydrophobicContact CE1-CG 3.88Å; Y215-K219 HydrophobicContact CE2-CG 4.03Å; Y215-K219 WeakPolarHBondContact O-CG 3.36Å; Y215-K219 PolarHBondContact O-N 2.99Å; Y215-K219 VanDerWaalsContact OH-CE 3.29Å; Y215-K219 WeakPolarHBondContact OH-CE 3.34Å; A216-K219 PolarHBondContact O-N 3.48Å; T217-K219 VanDerWaalsContact C-N 3.29Å; T217-K219 PolarHBondContact O-N 2.86Å; K219-Q222 PolarHBondContact O-N 2.91Å; K219-S223 PolarHBondContact O-N 3.49Å; K219-S223 VanDerWaalsContact O-N 3.13Å
220	L	43.1	Very low	40.3	Very low	56 Å²	56	88.7 Å²	88.7	29%	0.293	48%	0.477	S	S	.	.	H	α-helix	trans	-66.5	-45.3	170.7	-73.8	-172.5	0	0	0	111.5	F162 A216 T217 Q222 S223 E224	F162-L220 HydrophobicContact CD2-CD1 3.54Å; F162-L220 HydrophobicContact CD2-CG 4.44Å; F162-L220 HydrophobicContact CE2-CD1 3.27Å; F162-L220 HydrophobicContact CE2-CG 3.82Å; F162-L220 HydrophobicContact CG-CD1 4.43Å; F162-L220 HydrophobicContact CZ-CD1 3.99Å; A216-L220 PolarHBondContact O-N 3.14Å; T217-L220 PolarHBondContact O-N 2.97Å; L220-Q222 PolarHBondContact O-N 2.96Å; L220-S223 WeakPolarHBondContact CA-OG 3.41Å; L220-S223 CarbonylContact O-C 3.46Å; L220-S223 WeakPolarHBondContact O-CA 3.21Å; L220-S223 PolarHBondContact O-N 3.02Å; L220-S223 PolarHBondContact O-OG 3.22Å; L220-E224 PolarHBondContact O-N 2.87Å
221	N	46.5	Very low	39.3	Very low	91 Å²	91	93.9 Å²	93.9	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-30.8	176.1	-69.4	-17.8	0	0	0	112.8	T217 N225	T217-N221 WeakPolarHBondContact O-CB 3.11Å; T217-N221 PolarHBondContact O-N 3.32Å; T217-N221 PolarHBondContact O-ND2 3.05Å; N221-N225 PolarHBondContact O-ND2 2.97Å
222	Q	41.3	Very low	38.3	Very low	111 Å²	111	98.9 Å²	98.9	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-73.1	-28.1	171	-73.3	162.5	35	0	0	113	E218 K219 L220	E218-Q222 WeakPolarHBondContact O-CB 3.44Å; E218-Q222 WeakPolarHBondContact O-CG 3.43Å; E218-Q222 PolarHBondContact O-N 3.5Å; E218-Q222 PolarHBondContact O-NE2 2.78Å; K219-Q222 PolarHBondContact O-N 2.91Å; L220-Q222 PolarHBondContact O-N 2.96Å
223	S	38.2	Very low	37.4	Very low	74 Å²	74	107.2 Å²	107.2	52%	0.517	56%	0.563	S	S	.	*	H	α-helix	trans	-86.7	-23.2	-179.4	75.3	0	0	0	0	114.8	K219 L220 N225 P226	K219-S223 PolarHBondContact O-N 3.49Å; K219-S223 VanDerWaalsContact O-N 3.13Å; L220-S223 WeakPolarHBondContact CA-OG 3.41Å; L220-S223 CarbonylContact O-C 3.46Å; L220-S223 WeakPolarHBondContact O-CA 3.21Å; L220-S223 PolarHBondContact O-N 3.02Å; L220-S223 PolarHBondContact O-OG 3.22Å; S223-N225 VanDerWaalsContact C-N 3.28Å; S223-N225 PolarHBondContact O-N 3.17Å; S223-P226 WeakPolarHBondContact O-CD 3.47Å
224	E	36.4	Very low	36.4	Very low	144 Å²	144	111.2 Å²	111.2	67%	0.673	59%	0.593	S	S	*	*	S	Bend	trans	-86.1	7.8	176.7	-64.7	-164.1	146.2	0	0	113.6	L220 P226	L220-E224 PolarHBondContact O-N 2.87Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å
225	N	29.5	Very low	35.3	Very low	132 Å²	132	113.3 Å²	113.3	71%	0.706	61%	0.607	S	S	*	*			trans	-106.6	42.6	179.5	-86.5	-78.2	0	0	0	117.1	N221 S223	N221-N225 PolarHBondContact O-ND2 2.97Å; S223-N225 VanDerWaalsContact C-N 3.28Å; S223-N225 PolarHBondContact O-N 3.17Å
226	P	25.4	Very low	34.3	Very low	95 Å²	95	115.3 Å²	115.3	62%	0.617	63%	0.63	S	S	*	*	S	Bend	trans	-88.7	147.5	152	35.3	-28.6	0	0	0	111	S223 E224	S223-P226 WeakPolarHBondContact O-CD 3.47Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å
227	L	26.4	Very low	33.5	Very low	173 Å²	173	124 Å²	124	91%	0.906	67%	0.668	S	S	*	*	S	Bend	trans	77.1	44.6	171	-49.9	173.9	0	0	0	118.7
228	Q	26.7	Very low	32.4	Very low	186 Å²	186	125.7 Å²	125.7	87%	0.869	68%	0.682	S	S	*	*			trans	-142.5	50.4	159.3	-134.3	165.8	24.7	0	0	115.8
229	S	25.9	Very low	31.1	Very low	123 Å²	123	130.4 Å²	130.4	86%	0.86	70%	0.704	S	S	*	*	S	Bend	trans	-136.7	39.6	175.5	-59.8	0	0	0	0	113.6
230	T	25.6	Very low	29.8	Very low	133 Å²	133	131 Å²	131	82%	0.816	72%	0.717	S	S	*	*	S	Bend	trans	-145.7	148.1	174.8	-25.9	0	0	0	0	109.8
231	L	25	Very low	28.9	Very low	166 Å²	166	136.9 Å²	136.9	87%	0.869	74%	0.74	S	S	*	*			trans	63.9	82.9	-179.7	-62.6	169.1	0	0	0	116
232	L	26.3	Very low	27.8	Very low	180 Å²	180	139.4 Å²	139.4	94%	0.942	75%	0.749	S	S	*	*				-162.1	90.2	129.6	-107.4	171.7	0	0	0	109.5
233	Q	26.4	Very low	27	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	76%	0.761	S	S	*	*			trans	-127.8	129.7	174	-179.2	175.7	-2.6	0	0	108.5
234	S	29.9	Very low	26.4	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	77%	0.773	S	S	*	*			trans	-148	85.9	174.3	61.3	0	0	0	0	110.5
235	D	25.4	Very low	25.9	Very low	118 Å²	118	143.3 Å²	143.3	63%	0.631	77%	0.771	S	S	*	*			trans	37.4	130	151.1	-52.5	-18.8	0	0	0	122.1
236	P	27.5	Very low	25.8	Very low	131 Å²	131	144.5 Å²	144.5	85%	0.851	78%	0.778	S	S	*	*				-89.7	142.1	126.2	34.1	-29.4	0	0	0	111.2
237	F	27.9	Very low	25.9	Very low	188 Å²	188	144.8 Å²	144.8	83%	0.825	78%	0.782	S	S	*	*			trans	-79.1	154.4	-170.2	-109.7	-103.5	0	0	0	115.7
238	S	27.1	Very low	26.1	Very low	85 Å²	85	142 Å²	142	59%	0.594	78%	0.775	S	S	*	*			trans	79.1	113.6	147.6	-67.1	0	0	0	0	122.7
239	Q	24.5	Very low	26.1	Very low	182 Å²	182	138.6 Å²	138.6	85%	0.85	77%	0.766	S	S	*	*				62.2	140	129.9	-55.4	177.9	0.4	0	0	118.7
240	C	20.5	Very low	26.1	Very low	95 Å²	95	138.7 Å²	138.7	64%	0.642	76%	0.757	S	S	*	*			cis	-168.6	149.3	25.2	-153.1	0	0	0	0	112
241	K	24.6	Very low	26	Very low	178 Å²	178	137.8 Å²	137.8	77%	0.774	76%	0.755	S	S	*	*			trans	63.1	164	157.3	-72.8	167.2	-178.2	177.8	0	119.1
242	Q	23.5	Very low	25.9	Very low	145 Å²	145	137.3 Å²	137.3	68%	0.678	75%	0.752	S	S	*	*			cis	-175.4	171.5	-43.6	-123.9	178.3	-31.1	0	0	108.8
243	Y	24.7	Very low	25.9	Very low	192 Å²	192	132 Å²	132	75%	0.753	74%	0.74	S	S	*	*			trans	78.9	101	175.7	-60.8	-80.4	0	0	0	116
244	T	25.1	Very low	25.7	Very low	127 Å²	127	128.6 Å²	128.6	78%	0.779	74%	0.737	S	S	*	*				73.9	143.5	73.9	67.4	0	0	0	0	113.8
245	S	26.5	Very low	25.5	Very low	91 Å²	91	131.5 Å²	131.5	64%	0.636	74%	0.74	S	S	*	*			cis	-162.2	162.6	35.6	65.7	0	0	0	0	116.2
246	N	26.1	Very low	25.4	Very low	157 Å²	157	133.1 Å²	133.1	84%	0.84	74%	0.744	S	S	*	*			trans	79.9	126.8	149.8	-59.5	-12.5	0	0	0	123
247	S	27.6	Very low	25.3	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	74%	0.739	S	S	*	*			trans	-108.3	-152.3	165.1	57.5	0	0	0	0	109.8
248	P	30.9	Very low	25.3	Very low	115 Å²	115	132 Å²	132	75%	0.747	74%	0.738	S	S	*	*			cis	-119.6	167	35	14.5	12.5	0	0	0	114.4
249	V	27.6	Very low	25.6	Very low	113 Å²	113	132.8 Å²	132.8	69%	0.685	74%	0.741	S	S	*	*				71.9	131.6	50.4	-161.8	0	0	0	0	110.9
250	D	25.7	Very low	25.7	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	73%	0.733	S	S	*	*				-165.1	-172.6	54.3	-141.1	-40.7	0	0	0	116.1	I252	D250-I252 WeakPolarHBondContact OD1-CD1 2.97Å
251	C	24.3	Very low	26	Very low	114 Å²	114	135.8 Å²	135.8	77%	0.77	75%	0.747	S	S	*	*			trans	79.4	112.4	175.7	-57.7	0	0	0	0	116.6
252	I	23.1	Very low	26.2	Very low	156 Å²	156	133.3 Å²	133.3	80%	0.8	74%	0.741	S	S	*	*			cis	87.1	124.6	32.9	-54.4	169.1	0	0	0	113.6	D250	D250-I252 WeakPolarHBondContact OD1-CD1 2.97Å
253	G	24.6	Very low	26.4	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	74%	0.743	S	S	*	*			trans	-171.3	-8.8	-174.4	0	0	0	0	0	124.4
254	S	23.8	Very low	26.5	Very low	111 Å²	111	130 Å²	130	78%	0.776	74%	0.741	S	S	*	*			trans	60.2	161.2	161.1	-56.9	0	0	0	0	123.7
255	M	23.7	Very low	26.8	Very low	167 Å²	167	131.2 Å²	131.2	82%	0.823	74%	0.742	S	S	*	*			trans	75.3	144.7	163.7	-65.2	-172.5	-60.3	0	0	120.7
256	E	23.5	Very low	26.6	Very low	153 Å²	153	136.8 Å²	136.8	72%	0.715	76%	0.755	S	S	*	*			cis	-170.5	164.7	-33.3	-127.1	177.2	173.5	0	0	113.3
257	L	26.6	Very low	26.9	Very low	143 Å²	143	135.3 Å²	135.3	75%	0.749	76%	0.757	S	S	*	*			trans	59.6	116.5	157.1	-59.6	162.9	0	0	0	120.1
258	L	26.9	Very low	26.9	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	76%	0.764	S	S	*	*				52.2	156.4	60.8	-79.6	165.3	0	0	0	115.9
259	P	33.3	Very low	26.6	Very low	102 Å²	102	138.8 Å²	138.8	66%	0.662	76%	0.764	S	S	*	*			cis	-141	177.7	-5	35.5	-13.3	0	0	0	118.1
260	N	27	Very low	26.6	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	78%	0.776	S	S	*	*			trans	36.4	145.5	141	-56.8	-5.1	0	0	0	124.9
261	F	27.1	Very low	26.6	Very low	213 Å²	213	145.8 Å²	145.8	93%	0.934	78%	0.784	S	S	*	*				-136.4	153.9	121.5	-118	-86.1	0	0	0	110.2
262	L	27.8	Very low	26.8	Very low	126 Å²	126	145.2 Å²	145.2	66%	0.66	78%	0.779	S	S	*	*			trans	-144	178.3	-165	-162.7	66.4	0	0	0	111.5
263	D	28.1	Very low	26.9	Very low	133 Å²	133	144.7 Å²	144.7	71%	0.711	78%	0.776	S	S	*	*			trans	80.4	152	162	-55.2	-51.2	0	0	0	116.5
264	D	28.1	Very low	26.8	Very low	134 Å²	134	146.7 Å²	146.7	72%	0.717	78%	0.775	S	S	*	*			cis	-149.2	172.6	19.1	-155.1	-6	0	0	0	115.1
265	L	30.3	Very low	26.8	Very low	153 Å²	153	148.1 Å²	148.1	80%	0.801	77%	0.774	S	S	*	*			trans	79.2	101.2	157.3	-64.6	173.3	0	0	0	120.9
266	K	23.4	Very low	26.8	Very low	208 Å²	208	145.5 Å²	145.5	90%	0.904	77%	0.772	S	S	*	*			trans	-92.5	144.8	150	-63.9	167.9	179.2	165.2	0	110.3
267	S	31.4	Very low	26.8	Very low	126 Å²	126	143.8 Å²	143.8	88%	0.881	78%	0.777	S	S	*	*			trans	-154.9	169.7	146.5	62	0	0	0	0	112.5
268	Q	27.2	Very low	26.6	Very low	182 Å²	182	142.7 Å²	142.7	85%	0.85	78%	0.776	S	S	*	*			trans	-101.1	142.5	-150.7	-62.8	163.5	-18.6	0	0	115.5
269	S	25.4	Very low	26.4	Very low	108 Å²	108	141.5 Å²	141.5	76%	0.755	78%	0.775	S	S	*	*			trans	42.4	121.4	142.2	66.2	0	0	0	0	121.8
270	K	27.4	Very low	25.9	Very low	215 Å²	215	143.3 Å²	143.3	94%	0.935	78%	0.784	S	S	*	*				-164.7	164	102.6	-130.9	167.1	-179.1	172.9	0	112.7
271	M	25.6	Very low	25.6	Very low	170 Å²	170	147.7 Å²	147.7	84%	0.837	79%	0.791	S	S	*	*			trans	-94.2	171.3	-179.4	-79.1	-73.2	174.5	0	0	111.6
272	P	28.7	Very low	25.3	Very low	102 Å²	102	143 Å²	143	66%	0.662	79%	0.785	S	S	*	*			cis	-142	-167.8	-15.9	26	0.5	0	0	0	115.3
273	I	24.1	Very low	25.1	Very low	145 Å²	145	144.6 Å²	144.6	74%	0.744	79%	0.789	S	S	*	*			trans	89.8	128.4	151.7	-41.8	-169.8	0	0	0	120.3
274	T	24	Very low	24.8	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	79%	0.789	S	S	*	*			trans	64.7	113.2	160.1	45.7	0	0	0	0	123.5
275	N	24	Very low	24.6	Very low	141 Å²	141	147.1 Å²	147.1	75%	0.754	80%	0.795	S	S	*	*				87.6	134.9	126	-65.4	-1.9	0	0	0	122.3
276	S	23.1	Very low	24.3	Very low	111 Å²	111	145.7 Å²	145.7	78%	0.776	79%	0.792	S	S	*	*			trans	53.3	93.5	154.4	51.8	0	0	0	0	118.9
277	S	22.9	Very low	24.5	Very low	117 Å²	117	144 Å²	144	82%	0.818	79%	0.788	S	S	*	*				-169.8	143.9	117.8	-81.9	0	0	0	0	113.7
278	T	23.1	Very low	24.3	Very low	120 Å²	120	142.4 Å²	142.4	74%	0.736	77%	0.774	S	S	*	*			trans	24.3	138.9	155	-0.6	0	0	0	0	124.2
279	T	22.5	Very low	24.3	Very low	127 Å²	127	139.4 Å²	139.4	78%	0.779	77%	0.771	S	S	*	*			trans	77	155.4	152.3	66.1	0	0	0	0	121.5
280	V	22.4	Very low	24.5	Very low	141 Å²	141	140.2 Å²	140.2	86%	0.855	77%	0.766	S	S	*	*			trans	54.1	96	171.1	-162.4	0	0	0	0	116.7
281	R	20.8	Very low	24.6	Very low	218 Å²	218	136.9 Å²	136.9	82%	0.823	76%	0.757	S	S	*	*			trans	-134.5	119.6	154.1	-154.1	176	-158	177.9	6	111.1
282	S	21.6	Very low	24.9	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	73%	0.73	S	S	*	*			trans	-63.3	137	171.6	40.1	0	0	0	0	110.6
283	H	23.6	Very low	24.9	Very low	160 Å²	160	131.8 Å²	131.8	74%	0.741	73%	0.729	S	S	*	*			trans	-123.6	135.3	170.3	-88.7	-92.9	0	0	0	109.4
284	S	22.4	Very low	25.3	Very low	101 Å²	101	132.7 Å²	132.7	71%	0.706	72%	0.723	S	S	*	*			trans	-59.4	136.9	179.8	49.2	0	0	0	0	111.4	V286	S284-V286 PolarHBondContact O-N 2.92Å
285	Y	22.7	Very low	25.7	Very low	219 Å²	219	131.3 Å²	131.3	86%	0.859	71%	0.708	S	S	*	*			trans	-67.7	90.6	178.2	-143.4	-84.9	0	0	0	110.3
286	V	24.9	Very low	26.2	Very low	122 Å²	122	127.6 Å²	127.6	74%	0.739	69%	0.693	S	S	*	*			trans	-84.4	112.1	169.3	179.1	0	0	0	0	106.9	S284	S284-V286 PolarHBondContact O-N 2.92Å
287	Q	26.2	Very low	26.6	Very low	172 Å²	172	125.2 Å²	125.2	80%	0.804	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.8	-177.4	-168.4	174.5	17.2	0	0	110.6
288	P	28	Very low	27.2	Very low	93 Å²	93	124.3 Å²	124.3	60%	0.604	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-70.1	147.9	179.5	28.3	-34	0	0	0	110.9
289	P	27	Very low	27.8	Very low	120 Å²	120	122.2 Å²	122.2	78%	0.779	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-61.6	149.7	174.4	-20.8	32.8	0	0	0	112.1
290	L	29.4	Very low	28.3	Very low	125 Å²	125	123.9 Å²	123.9	65%	0.654	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-64.1	145.1	-179.5	-67.8	171.1	0	0	0	112	T292	L290-T292 PolarHBondContact O-N 3.24Å
291	I	30.5	Very low	28.7	Very low	145 Å²	145	124.9 Å²	124.9	74%	0.744	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-68.4	-13.5	-176.6	-70.7	170.9	0	0	0	112.7	D293	I291-D293 PolarHBondContact O-N 2.82Å
292	T	31.5	Very low	29.3	Very low	44 Å²	44	121.7 Å²	121.7	27%	0.27	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-58.3	-45	-179.1	45.7	0	0	0	0	113.6	L290 R294 F295 N568	L290-T292 PolarHBondContact O-N 3.24Å; T292-R294 PolarHBondContact O-N 3.36Å; T292-F295 PolarHBondContact O-N 3.35Å; T292-N568 HydrophobicContact CG2-CB 4.31Å
293	D	29.3	Very low	29.7	Very low	121 Å²	121	119.7 Å²	119.7	65%	0.647	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-77	-3	-160.5	-61.8	3.3	0	0	0	114.1	I291	I291-D293 PolarHBondContact O-N 2.82Å
294	R	32.5	Very low	30	Very low	164 Å²	164	118.9 Å²	118.9	62%	0.619	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-104.4	-14.2	178.2	-68.7	-174.8	-179.1	-115.8	4	114.3	T292 I298	T292-R294 PolarHBondContact O-N 3.36Å; R294-I298 WeakPolarHBondContact O-CG1 3.34Å; R294-I298 PolarHBondContact O-N 3.33Å
295	F	31.8	Very low	30.3	Very low	82 Å²	82	118.1 Å²	118.1	36%	0.36	59%	0.594	S	S	.	*	H	α-helix	trans	-68.8	-47.6	178.1	-112.7	-91.4	0	0	0	111.5	T292 D297 I298 L299	T292-F295 PolarHBondContact O-N 3.35Å; F295-D297 VanDerWaalsContact C-N 3.28Å; F295-D297 PolarHBondContact O-N 2.96Å; F295-I298 PolarHBondContact O-N 3.43Å; F295-L299 WeakPolarHBondContact O-CG 3.09Å; F295-L299 PolarHBondContact O-N 3.04Å
296	S	34	Very low	30.6	Very low	63 Å²	63	116.6 Å²	116.6	44%	0.441	59%	0.587	S	S	.	*	H	α-helix	trans	-57.6	-38	177.3	44.5	0	0	0	0	113	R300	S296-R300 WeakPolarHBondContact O-CG 3.22Å; S296-R300 PolarHBondContact O-N 3.27Å; S296-R300 VanDerWaalsContact O-N 3.09Å
297	D	31.5	Very low	30.8	Very low	61 Å²	61	117.8 Å²	117.8	33%	0.326	59%	0.589	S	S	.	*	H	α-helix	trans	-79.6	-19.8	-178.9	-132.3	52.1	0	0	0	113.4	F295 R300 R301	F295-D297 VanDerWaalsContact C-N 3.28Å; F295-D297 PolarHBondContact O-N 2.96Å; D297-R300 IonicContact OD1-NH1 3.73Å; D297-R300 PolarHBondContact OD1-NH1 3.26Å; D297-R301 PolarHBondContact O-NH1 2.85Å; D297-R301 IonicContact OD2-CZ 3.79Å; D297-R301 IonicContact OD2-NH1 3.05Å; D297-R301 PolarHBondContact OD2-NH1 3.2Å; D297-R301 IonicContact OD2-NH2 3.83Å; D297-R301 PolarHBondContact OD2-NH2 2.74Å
298	I	36	Very low	30.9	Very low	97 Å²	97	115.4 Å²	115.4	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-79.6	-46.3	168.7	-68.7	168.7	0	0	0	109.9	R294 F295 R300 R301 F302	R294-I298 WeakPolarHBondContact O-CG1 3.34Å; R294-I298 PolarHBondContact O-N 3.33Å; F295-I298 PolarHBondContact O-N 3.43Å; I298-R300 VanDerWaalsContact C-N 3.33Å; I298-R300 PolarHBondContact O-N 3.43Å; I298-R301 PolarHBondContact O-N 3.38Å; I298-F302 HydrophobicContact CG2-CD2 4.01Å; I298-F302 HydrophobicContact CG2-CE2 3.96Å; I298-F302 PolarHBondContact O-N 2.85Å
299	L	34.9	Very low	30.9	Very low	77 Å²	77	118.6 Å²	118.6	40%	0.403	60%	0.599	S	S	.	*	H	α-helix	trans	-55.9	-44.9	177.9	-71	166.3	0	0	0	112	F295 R301 F302 S303	F295-L299 WeakPolarHBondContact O-CG 3.09Å; F295-L299 PolarHBondContact O-N 3.04Å; L299-R301 PolarHBondContact O-N 3.05Å; L299-F302 PolarHBondContact O-N 3.19Å; L299-F302 VanDerWaalsContact O-N 3.14Å; L299-S303 PolarHBondContact O-N 3.04Å; L299-S303 PolarHBondContact O-OG 2.78Å
300	R	32.6	Very low	30.9	Very low	162 Å²	162	118.2 Å²	118.2	61%	0.611	59%	0.59	S	S	*	*	H	α-helix	trans	-51.6	-38.2	173.1	-82.1	177.8	174.9	152.1	-2.3	114	S296 D297 I298 L304	S296-R300 WeakPolarHBondContact O-CG 3.22Å; S296-R300 PolarHBondContact O-N 3.27Å; S296-R300 VanDerWaalsContact O-N 3.09Å; D297-R300 IonicContact OD1-NH1 3.73Å; D297-R300 PolarHBondContact OD1-NH1 3.26Å; I298-R300 VanDerWaalsContact C-N 3.33Å; I298-R300 PolarHBondContact O-N 3.43Å; R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 WeakPolarHBondContact O-CD1 3.44Å; R300-L304 VanDerWaalsContact O-CG 3.3Å; R300-L304 WeakPolarHBondContact O-CG 3.34Å; R300-L304 PolarHBondContact O-N 2.81Å
301	R	32.1	Very low	30.7	Very low	162 Å²	162	118.2 Å²	118.2	61%	0.611	60%	0.597	S	S	*	*	H	α-helix	trans	-75.9	-29.9	-176.8	-69	174.8	172.7	93.4	0.1	112.4	D297 I298 L299 S305	D297-R301 PolarHBondContact O-NH1 2.85Å; D297-R301 IonicContact OD2-CZ 3.79Å; D297-R301 IonicContact OD2-NH1 3.05Å; D297-R301 PolarHBondContact OD2-NH1 3.2Å; D297-R301 IonicContact OD2-NH2 3.83Å; D297-R301 PolarHBondContact OD2-NH2 2.74Å; I298-R301 PolarHBondContact O-N 3.38Å; L299-R301 PolarHBondContact O-N 3.05Å; R301-S305 PolarHBondContact O-OG 2.83Å
302	F	32.2	Very low	30.5	Very low	150 Å²	150	116.5 Å²	116.5	66%	0.658	59%	0.594	S	S	*	*	H	α-helix	trans	-80	-36.5	173.8	-79.1	-80.7	0	0	0	112.8	I298 L299 L304 S305	I298-F302 HydrophobicContact CG2-CD2 4.01Å; I298-F302 HydrophobicContact CG2-CE2 3.96Å; I298-F302 PolarHBondContact O-N 2.85Å; L299-F302 PolarHBondContact O-N 3.19Å; L299-F302 VanDerWaalsContact O-N 3.14Å; F302-L304 VanDerWaalsContact C-N 3.33Å; F302-L304 PolarHBondContact O-N 2.9Å; F302-S305 PolarHBondContact O-N 2.64Å; F302-S305 PolarHBondContact O-OG 3.07Å
303	S	30.5	Very low	30.3	Very low	73 Å²	73	123.2 Å²	123.2	51%	0.51	62%	0.62	S	S	.	*	H	α-helix	trans	-64.2	-36.5	174.5	-53.3	0	0	0	0	112.6	L299 S305	L299-S303 PolarHBondContact O-N 3.04Å; L299-S303 PolarHBondContact O-OG 2.78Å; S303-S305 PolarHBondContact O-N 2.68Å
304	L	31	Very low	30.1	Very low	143 Å²	143	127.7 Å²	127.7	75%	0.749	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-0	-179.4	-71.5	171.1	0	0	0	115	R300 F302	R300-L304 WeakPolarHBondContact O-CB 3.28Å; R300-L304 WeakPolarHBondContact O-CD1 3.44Å; R300-L304 VanDerWaalsContact O-CG 3.3Å; R300-L304 WeakPolarHBondContact O-CG 3.34Å; R300-L304 PolarHBondContact O-N 2.81Å; F302-L304 VanDerWaalsContact C-N 3.33Å; F302-L304 PolarHBondContact O-N 2.9Å
305	S	28.7	Very low	29.7	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.4	12.6	179.4	25.2	0	0	0	0	114.3	R301 F302 S303	R301-S305 PolarHBondContact O-OG 2.83Å; F302-S305 PolarHBondContact O-N 2.64Å; F302-S305 PolarHBondContact O-OG 3.07Å; S303-S305 PolarHBondContact O-N 2.68Å
306	R	28.3	Very low	29.5	Very low	187 Å²	187	127.2 Å²	127.2	71%	0.706	66%	0.66	S	S	*	*	S	Bend	trans	-119.5	-11.4	-178.1	-145.8	166	-177.7	166.8	-2.8	115.3	D580	R306-D580 IonicContact NH1-OD1 2.68Å
307	D	28.6	Very low	29.2	Very low	148 Å²	148	130 Å²	130	79%	0.791	68%	0.68	S	S	*	*			trans	-108.9	68.9	-179.5	-83.3	-46.5	0	0	0	112.8
308	T	27.9	Very low	28.8	Very low	122 Å²	122	134.3 Å²	134.3	75%	0.748	70%	0.703	S	S	*	*			trans	-131.2	63.4	169.8	62.6	0	0	0	0	112.3
309	N	29.1	Very low	28.5	Very low	160 Å²	160	136 Å²	136	86%	0.856	72%	0.718	S	S	*	*			trans	-109.7	95.6	162	-83.7	-55.5	0	0	0	108.8	P311	N309-P311 WeakPolarHBondContact O-CD 3.43Å
310	D	25.9	Very low	28.1	Very low	111 Å²	111	137.2 Å²	137.2	59%	0.594	73%	0.733	S	S	*	*			trans	-65.1	119.1	-175.2	179.2	-10.1	0	0	0	111.9	T312	D310-T312 VanDerWaalsContact C-N 3.32Å; D310-T312 PolarHBondContact O-N 3.03Å; D310-T312 PolarHBondContact OD1-N 2.96Å; D310-T312 PolarHBondContact OD1-OG1 3.28Å
311	P	25.7	Very low	28	Very low	125 Å²	125	134.9 Å²	134.9	81%	0.812	74%	0.741	S	S	*	*			trans	-86.5	15	-177.2	34.5	-33.3	0	0	0	114.5	N309	N309-P311 WeakPolarHBondContact O-CD 3.43Å
312	T	27.2	Very low	27.7	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	74%	0.744	S	S	*	*			trans	-129.7	43.1	-165.1	60.2	0	0	0	0	117.8	D310	D310-T312 VanDerWaalsContact C-N 3.32Å; D310-T312 PolarHBondContact O-N 3.03Å; D310-T312 PolarHBondContact OD1-N 2.96Å; D310-T312 PolarHBondContact OD1-OG1 3.28Å
313	K	26.9	Very low	27.5	Very low	186 Å²	186	132.7 Å²	132.7	81%	0.809	75%	0.753	S	S	*	*			trans	-147.1	55.2	176	-126	164.3	-166.9	166.3	0	119.4
314	F	24.7	Very low	27.3	Very low	214 Å²	214	133.5 Å²	133.5	94%	0.939	76%	0.758	S	S	*	*			trans	-133.7	91.3	158.9	-100	-80	0	0	0	112
315	S	25	Very low	27.3	Very low	112 Å²	112	131.9 Å²	131.9	78%	0.783	76%	0.759	S	S	*	*			trans	-142.7	140.6	172.3	-80.6	0	0	0	0	111
316	T	26.1	Very low	27.3	Very low	124 Å²	124	131 Å²	131	76%	0.761	76%	0.763	S	S	*	*			trans	54.7	95.2	165.2	56.3	0	0	0	0	118.8
317	S	28.7	Very low	27.3	Very low	123 Å²	123	132.3 Å²	132.3	86%	0.86	77%	0.77	S	S	*	*			trans	-130.4	99	132.3	50	0	0	0	0	109.2
318	N	23.8	Very low	27.4	Very low	150 Å²	150	133.5 Å²	133.5	80%	0.802	77%	0.77	S	S	*	*			trans	-85.9	120.5	-179.1	-79.3	-23.4	0	0	0	111.2
319	T	28.6	Very low	27.3	Very low	133 Å²	133	133.1 Å²	133.1	82%	0.816	77%	0.772	S	S	*	*			trans	-137.2	80.8	156.3	50.4	0	0	0	0	111.3
320	S	26.3	Very low	27.4	Very low	102 Å²	102	129 Å²	129	71%	0.713	77%	0.767	S	S	*	*			trans	37.1	136.1	139.3	58.1	0	0	0	0	122
321	S	30.1	Very low	27.6	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	78%	0.782	S	S	*	*			trans	83.5	143.5	151.3	79.6	0	0	0	0	118.8
322	S	26.7	Very low	27.6	Very low	95 Å²	95	131.2 Å²	131.2	66%	0.664	78%	0.781	S	S	*	*			cis	-173.9	154.1	-24.2	51.6	0	0	0	0	111
323	M	26.8	Very low	27.8	Very low	172 Å²	172	133 Å²	133	85%	0.847	79%	0.792	S	S	*	*			trans	69.3	154.8	165	-45.5	-166.3	85.2	0	0	115.9
324	S	27.7	Very low	27.8	Very low	89 Å²	89	128 Å²	128	62%	0.622	79%	0.792	S	S	*	*			cis	-166.7	161.4	-25.9	-94.1	0	0	0	0	108.8
325	S	30	Very low	27.9	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	79%	0.789	S	S	*	*			trans	27.1	136.5	153	59.6	0	0	0	0	121.2
326	G	28.3	Very low	28.1	Very low	65 Å²	65	130 Å²	130	67%	0.67	79%	0.792	S	S	*	*			cis	135.2	175.8	9.8	0	0	0	0	0	112
327	Y	28.8	Very low	28.3	Very low	216 Å²	216	131 Å²	131	85%	0.847	80%	0.798	S	S	*	*			trans	77	146.6	167	-65.8	-81.8	0	0	0	122
328	H	30.7	Very low	28.3	Very low	172 Å²	172	131.3 Å²	131.3	80%	0.796	80%	0.795	S	S	*	*			trans	76.6	112.5	156.4	-84.7	-66.8	0	0	0	123.4
329	S	27.4	Very low	28.4	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	78%	0.783	S	S	*	*			trans	-58.4	148.2	167	34.6	0	0	0	0	115.9
330	G	30.3	Very low	28.3	Very low	73 Å²	73	128.7 Å²	128.7	75%	0.753	78%	0.782	S	S	*	*			trans	-162	133.1	171.8	0	0	0	0	0	112.8
331	L	29.3	Very low	28.3	Very low	171 Å²	171	127.1 Å²	127.1	90%	0.895	77%	0.771	S	S	*	*			trans	-63.4	139.4	-164.3	-70.8	75.7	0	0	0	117.5
332	S	25.9	Very low	28.1	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	77%	0.774	S	S	*	*				42.1	96.3	127.9	-177.5	0	0	0	0	121.1
333	T	31.5	Very low	28.1	Very low	147 Å²	147	138.3 Å²	138.3	90%	0.902	78%	0.782	S	S	*	*			trans	-139.9	142.3	131.1	43.9	0	0	0	0	108.5
334	G	26.8	Very low	28.1	Very low	79 Å²	79	136.6 Å²	136.6	81%	0.814	79%	0.785	S	S	*	*			trans	-104.4	140.8	-174.4	0	0	0	0	0	113.4
335	E	27.9	Very low	28	Very low	188 Å²	188	137 Å²	137	88%	0.879	79%	0.788	S	S	*	*			trans	-151	172	166.4	-128.6	166.8	-164.2	0	0	111.5
336	H	28.5	Very low	27.9	Very low	180 Å²	180	138.6 Å²	138.6	83%	0.833	79%	0.788	S	S	*	*			trans	-70.3	142.2	-157.5	-69.7	-97.9	0	0	0	116.9
337	T	29.9	Very low	27.8	Very low	147 Å²	147	143.9 Å²	143.9	90%	0.902	80%	0.801	S	S	*	*			trans	-130.3	148.3	151.2	-42.8	0	0	0	0	109.1
338	V	29.6	Very low	27.7	Very low	129 Å²	129	138.5 Å²	138.5	78%	0.782	79%	0.794	S	S	*	*			trans	-105.2	144.8	-152.4	179.6	0	0	0	0	114.5
339	D	26.4	Very low	27.5	Very low	104 Å²	104	139.2 Å²	139.2	56%	0.556	79%	0.791	S	S	*	*			trans	-68.9	123.3	174.5	170.5	31.7	0	0	0	113	S341	D339-S341 PolarHBondContact O-N 2.93Å
340	P	25.4	Very low	27.4	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	79%	0.79	S	S	*	*	S	Bend	trans	-78.3	59	174.2	35	-36.1	0	0	0	111.8
341	S	26.6	Very low	27.3	Very low	69 Å²	69	143.8 Å²	143.8	48%	0.483	79%	0.785	S	S	.	*	S	Bend	trans	-153.7	39.7	178.8	-80.8	0	0	0	0	115.1	D339	D339-S341 PolarHBondContact O-N 2.93Å
342	R	26.3	Very low	27.2	Very low	225 Å²	225	144.6 Å²	144.6	85%	0.849	78%	0.782	S	S	*	*	S	Bend	trans	-161.8	153.9	157.9	-94.5	124.9	-159.4	-83.1	3.1	111.7
343	R	26.3	Very low	27.2	Very low	219 Å²	219	145.2 Å²	145.2	83%	0.826	77%	0.774	S	S	*	*			trans	70.1	147.4	-168.2	-47.9	177.4	-171.8	-129.8	5.3	110.9
344	C	26.3	Very low	26.9	Very low	135 Å²	135	146.3 Å²	146.3	91%	0.912	77%	0.766	S	S	*	*			cis	-95.6	123.2	11.6	-60.8	0	0	0	0	114.5
345	S	26.4	Very low	26.8	Very low	99 Å²	99	147.4 Å²	147.4	69%	0.692	76%	0.762	S	S	*	*			trans	-124.3	115.3	139.2	55.6	0	0	0	0	105
346	D	28.2	Very low	26.9	Very low	143 Å²	143	147.5 Å²	147.5	77%	0.765	76%	0.764	S	S	*	*			trans	-171.7	115.2	161.3	-88.9	-34.3	0	0	0	108.3
347	N	25.6	Very low	26.8	Very low	176 Å²	176	147.9 Å²	147.9	94%	0.941	76%	0.764	S	S	*	*			trans	-87	106.1	169.1	-81.5	-3.8	0	0	0	108.3
348	S	27.1	Very low	26.8	Very low	102 Å²	102	144 Å²	144	71%	0.713	75%	0.753	S	S	*	*			trans	-173.6	114.9	163.3	179.3	0	0	0	0	111
349	Y	26.4	Very low	26.8	Very low	187 Å²	187	144 Å²	144	73%	0.733	75%	0.748	S	S	*	*			trans	-162.4	93.1	131.3	-128.8	-81.3	0	0	0	111.1	F352	Y349-F352 HydrophobicContact CE1-CD2 4.19Å
350	D	26	Very low	27	Very low	145 Å²	145	145.5 Å²	145.5	78%	0.775	76%	0.756	S	S	*	*			trans	-97.8	160.2	158.3	-110	-47.2	0	0	0	109
351	Q	27.4	Very low	27.2	Very low	139 Å²	139	146 Å²	146	65%	0.65	75%	0.752	S	S	*	*			trans	58.2	97.2	159.9	-146.4	74.6	15	0	0	118.5
352	F	27.1	Very low	27.2	Very low	188 Å²	188	149.7 Å²	149.7	83%	0.825	76%	0.763	S	S	*	*			trans	-134	146.1	137.5	-110.5	-82.2	0	0	0	110.3	Y349	Y349-F352 HydrophobicContact CE1-CD2 4.19Å
353	M	24.9	Very low	27.2	Very low	125 Å²	125	147.7 Å²	147.7	62%	0.616	76%	0.76	S	S	*	*			trans	-145.9	154.9	-158.8	-118.6	-68.7	-174.1	0	0	112.5
354	F	26.3	Very low	27.3	Very low	171 Å²	171	140.9 Å²	140.9	75%	0.75	75%	0.751	S	S	*	*			trans	73.9	124.6	163.7	-76.3	-64.9	0	0	0	122.4
355	S	24.2	Very low	27.2	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	74%	0.741	S	S	*	*			trans	75.6	103.5	131.9	-61.6	0	0	0	0	121.6
356	M	30.6	Very low	27.3	Very low	190 Å²	190	142.9 Å²	142.9	94%	0.936	74%	0.74	S	S	*	*				-169.7	125.2	105	-65	-149	-173.7	0	0	106.5
357	K	26	Very low	27.2	Very low	188 Å²	188	143.4 Å²	143.4	82%	0.817	74%	0.738	S	S	*	*			cis	105.5	127.4	25	-168.6	171.9	-176	178.3	0	113.3	D359	K357-D359 WeakPolarHBondContact CE-OD2 3.3Å; K357-D359 WeakPolarHBondContact CG-OD2 3.43Å
358	G	29.1	Very low	27.2	Very low	65 Å²	65	140.9 Å²	140.9	67%	0.67	73%	0.725	S	S	*	*			trans	117.5	80.5	-172.9	0	0	0	0	0	110.5
359	D	31.1	Very low	27.1	Very low	128 Å²	128	140.6 Å²	140.6	68%	0.684	72%	0.723	S	S	*	*			cis	77.8	116.8	41.2	-43.3	-6	0	0	0	111.1	K357	K357-D359 WeakPolarHBondContact CE-OD2 3.3Å; K357-D359 WeakPolarHBondContact CG-OD2 3.43Å
360	D	30.9	Very low	27.1	Very low	137 Å²	137	139.2 Å²	139.2	73%	0.733	73%	0.726	S	S	*	*			cis	-135.1	-126.4	-1.4	-171.9	11.5	0	0	0	110.7
361	L	28.2	Very low	27.4	Very low	134 Å²	134	136.7 Å²	136.7	70%	0.702	72%	0.718	S	S	*	*			cis	-165.2	109.1	3.9	-176.9	73.2	0	0	0	114
362	M	26.1	Very low	27.2	Very low	146 Å²	146	140.7 Å²	140.7	72%	0.719	73%	0.727	S	S	*	*			trans	67.3	157.7	151.1	-55.4	-72.6	161.9	0	0	120.5
363	K	28.2	Very low	27.2	Very low	182 Å²	182	135.1 Å²	135.1	79%	0.791	72%	0.723	S	S	*	*			cis	-164.5	154.7	2.8	-137	177.1	-179.3	-179.4	0	114.4
364	A	26.5	Very low	27.1	Very low	77 Å²	77	137.7 Å²	137.7	64%	0.636	74%	0.735	S	S	*	*			trans	58.4	136.6	151.2	0	0	0	0	0	120.8
365	N	25.8	Very low	27.1	Very low	129 Å²	129	135.9 Å²	135.9	69%	0.69	74%	0.739	S	S	*	*			cis	81.3	138.1	38.2	-61.2	51.8	0	0	0	113.4
366	E	26.9	Very low	27.2	Very low	147 Å²	147	137.8 Å²	137.8	69%	0.687	74%	0.741	S	S	*	*			cis	-172.5	179.9	-5.9	-108.7	147.3	-170.5	0	0	108.3
367	E	27	Very low	27	Very low	154 Å²	154	134.8 Å²	134.8	72%	0.72	73%	0.727	S	S	*	*			cis	-161.5	167.7	7.5	-143.6	-160.6	-153.3	0	0	113.7
368	N	26.5	Very low	27	Very low	123 Å²	123	133.4 Å²	133.4	66%	0.658	72%	0.724	S	S	*	*			trans	45.4	138.9	145	-86.2	-20.9	0	0	0	129.7
369	S	24.3	Very low	26.9	Very low	96 Å²	96	136.6 Å²	136.6	67%	0.671	73%	0.73	S	S	*	*			trans	84.3	106.9	132.5	-65.2	0	0	0	0	128
370	I	25.5	Very low	26.9	Very low	157 Å²	157	134.2 Å²	134.2	81%	0.805	74%	0.736	S	S	*	*				-4.6	172.9	129	35.4	164.4	0	0	0	123.1
371	P	32.2	Very low	26.7	Very low	93 Å²	93	136.5 Å²	136.5	60%	0.604	74%	0.742	S	S	*	*			cis	-149.4	-175.5	-19.8	39.6	-18.6	0	0	0	119.6
372	W	24.7	Very low	26.8	Very low	223 Å²	223	136.1 Å²	136.1	85%	0.845	75%	0.751	S	S	*	*			trans	67.8	138.3	147.5	-66.8	122.6	0	0	0	124.4	H48	H48-W372 AromaticContact CE1-CH2 3.98Å
373	G	25.6	Very low	26.9	Very low	71 Å²	71	136.5 Å²	136.5	73%	0.732	75%	0.754	S	S	*	*			trans	-177.7	150.2	165.3	0	0	0	0	0	112.3
374	M	23.3	Very low	27.5	Very low	178 Å²	178	133.6 Å²	133.6	88%	0.877	75%	0.754	S	S	*	*			trans	-121.6	158.3	-170.2	-51	178.2	-168.1	0	0	114
375	T	26.2	Very low	27.6	Very low	134 Å²	134	141.5 Å²	141.5	82%	0.822	77%	0.767	S	S	*	*				167.3	110.4	114.4	46.6	0	0	0	0	116.4
376	N	25.9	Very low	27.7	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	77%	0.766	S	S	*	*				62.7	152.4	118.3	-134.4	-3.4	0	0	0	125.5
377	I	26.4	Very low	27.7	Very low	128 Å²	128	139.5 Å²	139.5	66%	0.656	77%	0.771	S	S	*	*			trans	73.7	138.3	153.1	-77.6	158.7	0	0	0	118.3
378	Q	27	Very low	27.9	Very low	159 Å²	159	139.2 Å²	139.2	74%	0.743	77%	0.774	S	S	*	*			cis	-158.9	147.7	-0.3	-125.6	172.5	3.4	0	0	115.7
379	T	26.2	Very low	28	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	78%	0.783	S	S	*	*			trans	29.5	140.8	145	52.7	0	0	0	0	126.3
380	G	30.9	Very low	28.2	Very low	78 Å²	78	141.8 Å²	141.8	80%	0.804	79%	0.788	S	S	*	*			trans	-173.8	144.8	153.6	0	0	0	0	0	114.5
381	Q	27.1	Very low	28.4	Very low	186 Å²	186	138.6 Å²	138.6	87%	0.869	79%	0.785	S	S	*	*			trans	-132.8	157.9	-175.2	-73.5	-174.6	-38.2	0	0	114.4
382	S	31.2	Very low	28.2	Very low	125 Å²	125	140.2 Å²	140.2	87%	0.874	79%	0.794	S	S	*	*			trans	-172.6	171.6	144.7	34.2	0	0	0	0	113
383	I	27.8	Very low	28.6	Very low	155 Å²	155	136.7 Å²	136.7	80%	0.795	79%	0.79	S	S	*	*			trans	-140.2	155.2	-151.9	-77.7	174.4	0	0	0	112.6
384	P	39.4	Very low	28.8	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	79%	0.794	S	S	*	*			trans	-106.7	-172.8	-161.4	42.1	-36.9	0	0	0	116.7
385	R	28.7	Very low	29.1	Very low	243 Å²	243	139.7 Å²	139.7	92%	0.917	79%	0.793	S	S	*	*			trans	-163.6	142.9	176.1	-130.3	-178.8	179.1	120.4	-2.5	117.7
386	A	29	Very low	29.5	Very low	81 Å²	81	138.5 Å²	138.5	67%	0.669	79%	0.787	S	S	*	*			trans	68.5	154.2	138.8	0	0	0	0	0	122
387	L	26.8	Very low	29.6	Very low	152 Å²	152	139.6 Å²	139.6	80%	0.796	79%	0.791	S	S	*	*			cis	-169.1	163.4	-8.3	-109.6	170.4	0	0	0	113.4
388	I	31.8	Very low	29.8	Very low	149 Å²	149	143.1 Å²	143.1	76%	0.764	80%	0.802	S	S	*	*			trans	77	150.3	151.3	-70.1	155.5	0	0	0	121.4
389	K	27.3	Very low	30	Very low	197 Å²	197	142.1 Å²	142.1	86%	0.857	80%	0.801	S	S	*	*			cis	179.3	132.2	-41.1	-165.2	175.5	-178.1	-179.3	0	113.1
390	G	28.5	Very low	30.5	Very low	75 Å²	75	141.9 Å²	141.9	77%	0.773	80%	0.801	S	S	*	*			trans	85.1	164.9	153.5	0	0	0	0	0	120.3
391	A	29.8	Very low	30.4	Very low	91 Å²	91	144.6 Å²	144.6	75%	0.752	80%	0.797	S	S	*	*			cis	-167.9	137.3	-17.1	0	0	0	0	0	115.2
392	T	28.7	Very low	30.8	Very low	127 Å²	127	144 Å²	144	78%	0.779	80%	0.8	S	S	*	*			trans	35.9	138	145.7	59.9	0	0	0	0	125.5
393	I	32.9	Very low	30.6	Very low	149 Å²	149	142.8 Å²	142.8	76%	0.764	80%	0.798	S	S	*	*				167.4	121.4	116.4	-84.9	164.7	0	0	0	115.8
394	N	29.8	Very low	30.9	Very low	155 Å²	155	139.8 Å²	139.8	83%	0.829	80%	0.796	S	S	*	*			trans	46.3	148.8	142.6	-54	-7.3	0	0	0	129
395	N	29.1	Very low	30.3	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	80%	0.796	S	S	*	*			trans	-74.9	-172.9	169.3	-79.7	-17.8	0	0	0	113.9
396	P	34.9	Very low	30.3	Very low	109 Å²	109	136 Å²	136	71%	0.708	79%	0.791	S	S	*	*			cis	-150.6	171.8	18.2	45.3	-23.8	0	0	0	122.1
397	I	27.4	Very low	30.2	Very low	163 Å²	163	139.3 Å²	139.3	84%	0.836	80%	0.798	S	S	*	*			trans	41.7	128	140.4	-60.1	163.3	0	0	0	121.9
398	K	31.4	Very low	30.3	Very low	202 Å²	202	139.4 Å²	139.4	88%	0.878	80%	0.799	S	S	*	*			trans	-159.4	147	136	-125.2	175.9	-176.6	180	0	114.2
399	L	30.8	Very low	30	Very low	139 Å²	139	137.9 Å²	137.9	73%	0.728	80%	0.797	S	S	*	*			trans	-117.2	168.1	167.1	-125.3	84.9	0	0	0	109.4
400	P	36.3	Very low	30.1	Very low	125 Å²	125	134.7 Å²	134.7	81%	0.812	79%	0.794	S	S	*	*				-143.2	176.2	107.7	39.1	-25.4	0	0	0	115
401	N	29.9	Very low	29.9	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	79%	0.794	S	S	*	*			trans	-91.3	169.2	178.6	-49.9	-35.3	0	0	0	112.3
402	D	34.9	Very low	29.9	Very low	173 Å²	173	146.2 Å²	146.2	93%	0.925	80%	0.801	S	S	*	*			trans	-150.9	157.3	137.5	-103.3	-37.6	0	0	0	110.2
403	A	27.6	Very low	29.6	Very low	100 Å²	100	144.7 Å²	144.7	83%	0.826	80%	0.796	S	S	*	*			trans	-153.7	138.8	-167.8	0	0	0	0	0	116.5
404	A	33.6	Very low	29.4	Very low	92 Å²	92	145.4 Å²	145.4	76%	0.76	80%	0.799	S	S	*	*			trans	-162.8	122.1	155.7	0	0	0	0	0	107
405	V	27.5	Very low	29.1	Very low	128 Å²	128	144.6 Å²	144.6	78%	0.776	80%	0.795	S	S	*	*				69.8	96.3	57.1	-175.5	0	0	0	0	113.3
406	L	28.8	Very low	29	Very low	158 Å²	158	142.3 Å²	142.3	83%	0.827	79%	0.791	S	S	*	*				-160.3	145.4	111.8	-127.8	99.7	0	0	0	110.6
407	N	25.7	Very low	28.7	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	80%	0.796	S	S	*	*			trans	-96.8	157.1	162.5	-71.7	-42	0	0	0	108.5
408	D	30.1	Very low	28.6	Very low	153 Å²	153	141.5 Å²	141.5	82%	0.818	80%	0.797	S	S	*	*			trans	-146	154.2	140.7	-141.8	-25.2	0	0	0	111.7
409	V	24.4	Very low	28.5	Very low	118 Å²	118	137.5 Å²	137.5	72%	0.715	79%	0.792	S	S	*	*			trans	-138.8	125.4	-171.8	173.4	0	0	0	0	109.7
410	T	29.7	Very low	28.5	Very low	130 Å²	130	137.9 Å²	137.9	80%	0.798	80%	0.8	S	S	*	*			trans	-139.2	119.7	166.5	-23.9	0	0	0	0	111.5
411	K	24.4	Very low	27.9	Very low	178 Å²	178	138.4 Å²	138.4	77%	0.774	80%	0.801	S	S	*	*			trans	-73.4	155.6	164.4	-60.8	173.7	177.8	177.2	0	109.2
412	Y	29.3	Very low	27.7	Very low	229 Å²	229	144 Å²	144	90%	0.898	81%	0.812	S	S	*	*				-152.5	136.5	123.4	-101.6	-70.6	0	0	0	110.3
413	S	22.5	Very low	27.2	Very low	96 Å²	96	145 Å²	145	67%	0.671	81%	0.808	S	S	*	*			trans	-96.3	163	171.3	-49.1	0	0	0	0	110.2
414	I	29.8	Very low	27.2	Very low	164 Å²	164	144.4 Å²	144.4	84%	0.841	80%	0.798	S	S	*	*			trans	-173	140.1	130.9	-96.7	151.4	0	0	0	109.3
415	D	23.5	Very low	26.8	Very low	137 Å²	137	150.4 Å²	150.4	73%	0.733	80%	0.802	S	S	*	*			trans	-82.9	158.7	-176.8	-44.4	-98.1	0	0	0	112.9
416	S	26.4	Very low	26.7	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	80%	0.798	S	S	*	*				159.7	150.4	116.6	-73.4	0	0	0	0	116.2
417	S	28.5	Very low	26.6	Very low	116 Å²	116	146 Å²	146	81%	0.811	79%	0.791	S	S	*	*			trans	67.8	121.6	146.7	54	0	0	0	0	122.1
418	T	25.7	Very low	26.6	Very low	140 Å²	140	145.3 Å²	145.3	86%	0.859	79%	0.792	S	S	*	*			trans	-51.7	171.4	167	28.1	0	0	0	0	117.7
419	P	29.4	Very low	26.5	Very low	118 Å²	118	144.6 Å²	144.6	77%	0.766	79%	0.793	S	S	*	*			trans	-99.7	164.5	-154.8	38.8	-37.7	0	0	0	116.2
420	T	29.7	Very low	26.5	Very low	147 Å²	147	144 Å²	144	90%	0.902	79%	0.785	S	S	*	*			trans	-139.2	167.9	164	51.4	0	0	0	0	112.3
421	T	24.6	Very low	26.3	Very low	136 Å²	136	145.4 Å²	145.4	83%	0.834	79%	0.787	S	S	*	*			trans	-104.9	145.1	-164.4	52.6	0	0	0	0	114.3
422	R	26.7	Very low	26.6	Very low	251 Å²	251	144 Å²	144	95%	0.947	79%	0.788	S	S	*	*			trans	-166.6	153.1	140.1	-114.8	173.3	-176	-152.6	-0.8	114.5
423	K	23.1	Very low	26.8	Very low	194 Å²	194	139.1 Å²	139.1	84%	0.843	78%	0.778	S	S	*	*			trans	-77.6	167.4	164.2	-54.7	175.3	-179.4	177.2	0	108
424	S	27.5	Very low	27.1	Very low	88 Å²	88	142.1 Å²	142.1	62%	0.615	79%	0.786	S	S	*	*			cis	175.9	158.9	46.1	50.9	0	0	0	0	112.6
425	Y	25.4	Very low	27.2	Very low	218 Å²	218	143.1 Å²	143.1	86%	0.855	78%	0.784	S	S	*	*			trans	65.2	135.2	160.5	-60.2	-58.1	0	0	0	117.2
426	S	26.1	Very low	27.6	Very low	97 Å²	97	141.2 Å²	141.2	68%	0.678	77%	0.774	S	S	*	*			cis	-153.1	-164	-7.6	-76.3	0	0	0	0	107.1
427	S	25.5	Very low	27.8	Very low	97 Å²	97	147.1 Å²	147.1	68%	0.678	78%	0.78	S	S	*	*			cis	-160.6	171.2	16.4	-65.1	0	0	0	0	110.3
428	T	26.4	Very low	27.8	Very low	135 Å²	135	146.2 Å²	146.2	83%	0.828	77%	0.773	S	S	*	*			trans	49.7	130	148.5	50.3	0	0	0	0	120.1
429	V	28	Very low	28	Very low	139 Å²	139	146 Å²	146	84%	0.842	77%	0.766	S	S	*	*			cis	-140.1	150.1	2.8	-173.5	0	0	0	0	107.6
430	N	24.8	Very low	28	Very low	104 Å²	104	147 Å²	147	56%	0.556	77%	0.765	S	S	*	*			trans	-117.9	134.3	-174.6	-172.3	-26.6	0	0	0	112.1
431	L	25.7	Very low	27.8	Very low	160 Å²	160	146 Å²	146	84%	0.838	76%	0.758	S	S	*	*			trans	-163.6	91.7	165.1	-113.1	151.5	0	0	0	109.5
432	D	29.6	Very low	27.9	Very low	149 Å²	149	145.9 Å²	145.9	80%	0.797	76%	0.758	S	S	*	*	S	Bend	trans	-177.9	-28.9	152.1	-94.1	-25.9	0	0	0	112.2	L434	D432-L434 PolarHBondContact O-N 3.42Å
433	D	33.1	Very low	28	Very low	127 Å²	127	140.7 Å²	140.7	68%	0.679	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	22.2	-170.1	-69.9	-39.2	0	0	0	117.1
434	L	30.4	Very low	28.3	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-2.5	-171.4	-84.3	170.6	0	0	0	116.9	D432	D432-L434 PolarHBondContact O-N 3.42Å
435	F	30.8	Very low	28.3	Very low	184 Å²	184	141.4 Å²	141.4	81%	0.807	76%	0.76	S	S	*	*	S	Bend	trans	-104.6	-17.6	179.4	-88.5	-82.9	0	0	0	116	R437	F435-R437 PolarHBondContact O-N 3.31Å; F435-R437 VanDerWaalsContact O-N 3.16Å
436	D	32.2	Very low	28.4	Very low	97 Å²	97	138.3 Å²	138.3	52%	0.519	76%	0.758	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.3	-0.1	-176.9	-94.5	-36.1	0	0	0	115.2	R647	D436-R647 IonicContact OD1-CZ 3.12Å; D436-R647 IonicContact OD1-NH1 2.7Å; D436-R647 PolarHBondContact OD1-NH1 2.8Å; D436-R647 IonicContact OD1-NH2 3.79Å; D436-R647 IonicContact OD2-CZ 3.54Å; D436-R647 IonicContact OD2-NH1 3.42Å; D436-R647 PolarHBondContact OD2-NH1 2.8Å; D436-R647 IonicContact OD2-NH2 3.51Å; D436-R647 PolarHBondContact OD2-NH2 3.19Å
437	R	29.9	Very low	28.7	Very low	234 Å²	234	140.2 Å²	140.2	88%	0.883	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	4.3	177.4	-78.8	-168.6	171.3	-147.3	-2.5	115.4	F435	F435-R437 PolarHBondContact O-N 3.31Å; F435-R437 VanDerWaalsContact O-N 3.16Å
438	S	29	Very low	28.8	Very low	97 Å²	97	141 Å²	141	68%	0.678	77%	0.767	S	S	*	*	S	Bend	trans	-101.3	3.5	-164.7	-147.5	0	0	0	0	116.4
439	L	30.8	Very low	29	Very low	134 Å²	134	141 Å²	141	70%	0.702	76%	0.762	S	S	*	*	S	Bend	trans	-124.6	-0	-177.6	-102	87.7	0	0	0	116.2
440	D	28.1	Very low	29.2	Very low	141 Å²	141	140.5 Å²	140.5	75%	0.754	76%	0.755	S	S	*	*	S	Bend	trans	-109.8	32.7	-171.6	-68.4	-31.4	0	0	0	114.2
441	T	26.7	Very low	29.5	Very low	124 Å²	124	142.2 Å²	142.2	76%	0.761	76%	0.764	S	S	*	*			trans	-137.7	50.1	-176.2	-33.5	0	0	0	0	115.2
442	T	26	Very low	29.9	Very low	134 Å²	134	141.4 Å²	141.4	82%	0.822	76%	0.76	S	S	*	*			trans	-147.6	100.7	159.1	52.7	0	0	0	0	112.6
443	V	29.7	Very low	30	Very low	142 Å²	142	140.4 Å²	140.4	86%	0.861	76%	0.755	S	S	*	*	S	Bend		-176.3	136.5	129.1	143.7	0	0	0	0	109.3
444	N	28.9	Very low	30	Very low	134 Å²	134	141 Å²	141	72%	0.717	76%	0.758	S	S	*	*			trans	61.1	100	168.6	-157.1	19.9	0	0	0	118.9	N446	N444-N446 PolarHBondContact OD1-N 3.39Å
445	N	28.1	Very low	30.1	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	75%	0.751	S	S	*	*			trans	-145.1	64.8	149.9	-125.3	-3.4	0	0	0	108.8
446	N	27	Very low	30.2	Very low	152 Å²	152	136 Å²	136	81%	0.813	75%	0.749	S	S	*	*			trans	-108.5	81	179.5	-91.3	5.7	0	0	0	111.1	N444	N444-N446 PolarHBondContact OD1-N 3.39Å
447	T	31.1	Very low	30.2	Very low	137 Å²	137	139.3 Å²	139.3	84%	0.84	77%	0.765	S	S	*	*			trans	-131.1	119	160.5	-47.1	0	0	0	0	109.3
448	T	28.7	Very low	30.2	Very low	115 Å²	115	131.8 Å²	131.8	71%	0.706	76%	0.761	S	S	*	*			trans	-66	140.5	-179.3	47.6	0	0	0	0	112.7
449	N	30.7	Very low	30.1	Very low	134 Å²	134	134.2 Å²	134.2	72%	0.717	77%	0.766	S	S	*	*				-176.9	136.6	109.9	-89.5	-19.1	0	0	0	113.9
450	N	31	Very low	30.2	Very low	129 Å²	129	135.7 Å²	135.7	69%	0.69	77%	0.773	S	S	*	*			trans	47.9	127	145	-55.6	-15.5	0	0	0	121.4
451	N	31	Very low	30.1	Very low	139 Å²	139	135.6 Å²	135.6	74%	0.743	77%	0.772	S	S	*	*			trans	50.8	128.5	137.6	-50.9	-2.7	0	0	0	118.1
452	D	34.5	Very low	30.4	Very low	143 Å²	143	137.9 Å²	137.9	77%	0.765	78%	0.779	S	S	*	*			cis	-151.2	177.7	49.6	-126.4	-49	0	0	0	115.9
453	N	32.5	Very low	30.4	Very low	129 Å²	129	139.1 Å²	139.1	69%	0.69	78%	0.777	S	S	*	*			trans	-81.9	146	-167.2	-60.6	-91.9	0	0	0	114.1
454	N	33.4	Very low	30.5	Very low	139 Å²	139	139.9 Å²	139.9	74%	0.743	78%	0.776	S	S	*	*				179.3	116.6	117.7	-98.1	-62.4	0	0	0	115.8
455	N	32.4	Very low	30.3	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	78%	0.784	S	S	*	*			trans	35.7	106	134.9	-62.2	-34.5	0	0	0	122
456	S	33	Very low	30.6	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	78%	0.776	S	S	*	*				169.2	107.4	106.3	-72.2	0	0	0	0	110.4
457	I	31	Very low	30.8	Very low	166 Å²	166	141.7 Å²	141.7	85%	0.851	77%	0.774	S	S	*	*				64.5	112	85.2	-61	165.2	0	0	0	112.6
458	G	31.4	Very low	30.5	Very low	77 Å²	77	140.1 Å²	140.1	79%	0.794	77%	0.769	S	S	*	*			trans	173.9	38.3	179.6	0	0	0	0	0	115.7
459	N	26.8	Very low	30.4	Very low	147 Å²	147	139.2 Å²	139.2	79%	0.786	77%	0.773	S	S	*	*			trans	-89.6	118.4	-170.4	-170.1	14.3	0	0	0	112.5
460	I	32.4	Very low	30.3	Very low	165 Å²	165	140.8 Å²	140.8	85%	0.846	78%	0.78	S	S	*	*			trans	-154.6	121.8	157.8	18.7	175	0	0	0	112.7
461	N	25.7	Very low	30	Very low	140 Å²	140	137.8 Å²	137.8	75%	0.749	78%	0.779	S	S	*	*			trans	-83.7	144.9	157.2	-58.2	-82.1	0	0	0	108.8
462	L	32.2	Very low	30	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	78%	0.779	S	S	*	*			trans	-160.2	164.3	142.7	-135.5	67.2	0	0	0	113.4
463	M	27.3	Very low	29.7	Very low	160 Å²	160	138.8 Å²	138.8	79%	0.788	78%	0.778	S	S	*	*			trans	-77.1	154.9	-179.5	-51.8	163.7	-173.1	0	0	111.5
464	N	31.1	Very low	29.7	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	79%	0.787	S	S	*	*				176.3	164.8	117	-89.6	-34.7	0	0	0	114.8
465	R	26	Very low	29.6	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	78%	0.781	S	S	*	*			trans	-96.4	-169.2	170.3	-52.9	163.5	83.8	-163	10.3	108.6
466	P	34	Very low	29.6	Very low	110 Å²	110	145.5 Å²	145.5	71%	0.714	79%	0.786	S	S	*	*				-120	-138.1	-74.5	34.8	-15.4	0	0	0	109.9
467	L	29.6	Very low	29.3	Very low	147 Å²	147	145.5 Å²	145.5	77%	0.77	79%	0.786	S	S	*	*			trans	86.3	107	164.1	-63.7	155.6	0	0	0	119.6
468	S	25.9	Very low	29.3	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	79%	0.787	S	S	*	*				47.5	115	116.5	-51.9	0	0	0	0	122.7
469	A	25.8	Very low	29.5	Very low	95 Å²	95	145 Å²	145	79%	0.785	78%	0.779	S	S	*	*			trans	80.2	174.6	130.4	0	0	0	0	0	120.6
470	I	28.5	Very low	29.9	Very low	168 Å²	168	145.9 Å²	145.9	86%	0.862	78%	0.784	S	S	*	*			trans	69.8	94.8	174.6	-49.4	174.7	0	0	0	114.9
471	G	25.6	Very low	30.1	Very low	65 Å²	65	141.5 Å²	141.5	67%	0.67	78%	0.78	S	S	*	*			trans	-93.3	-176.1	169.7	0	0	0	0	0	113.6
472	S	31.4	Very low	30.5	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	79%	0.787	S	S	*	*			trans	-166.5	135.1	161.8	-94	0	0	0	0	116
473	R	28.7	Very low	30.5	Very low	195 Å²	195	136.7 Å²	136.7	74%	0.736	78%	0.775	S	S	*	*			trans	45.8	117.5	137.9	-56	175.5	-176.7	-116.4	4	120.8
474	R	32.5	Very low	30.6	Very low	235 Å²	235	136.7 Å²	136.7	89%	0.887	78%	0.778	S	S	*	*				-173.3	116.6	110.4	-98.7	164.2	-97.6	-155.6	-2.8	108.2
475	H	30	Very low	30.6	Very low	132 Å²	132	136.6 Å²	136.6	61%	0.611	78%	0.776	S	S	*	*				102.1	153.5	61.3	-93.3	-73.2	0	0	0	111.2
476	H	32.1	Very low	30.8	Very low	172 Å²	172	130.5 Å²	130.5	80%	0.796	77%	0.769	S	S	*	*			trans	76.2	113.6	-177.6	-45.7	-69	0	0	0	115.8
477	S	27.2	Very low	30.7	Very low	108 Å²	108	130.3 Å²	130.3	76%	0.755	77%	0.77	S	S	*	*			cis	107.2	95	4.3	89.9	0	0	0	0	117.9
478	T	31.9	Very low	30.9	Very low	144 Å²	144	128.3 Å²	128.3	88%	0.883	77%	0.769	S	S	*	*			trans	-141.1	158.8	152.1	52.1	0	0	0	0	106.5
479	S	34.9	Very low	31.3	Very low	90 Å²	90	129.2 Å²	129.2	63%	0.629	77%	0.77	S	S	*	*			cis	-148.8	146.8	7.2	49.5	0	0	0	0	110.9
480	D	34.9	Very low	31.7	Very low	165 Å²	165	132.7 Å²	132.7	88%	0.882	77%	0.773	S	S	*	*			trans	59.4	153.6	147	-48.1	-20.5	0	0	0	120.6
481	G	36.1	Very low	31.8	Very low	73 Å²	73	127.5 Å²	127.5	75%	0.753	76%	0.761	S	S	*	*			cis	176.1	130.3	-6.4	0	0	0	0	0	110.4
482	T	35.2	Very low	32.1	Very low	148 Å²	148	130 Å²	130	91%	0.908	77%	0.767	S	S	*	*			trans	-94.8	125.9	-166.8	51	0	0	0	0	114.7
483	G	32.5	Very low	32.1	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	77%	0.767	S	S	*	*				64.6	102.4	127.8	0	0	0	0	0	120.9
484	N	28.2	Very low	32.4	Very low	160 Å²	160	126.8 Å²	126.8	86%	0.856	77%	0.765	S	S	*	*			trans	72.8	159.9	137	-60.9	-9.7	0	0	0	121.2
485	I	32.1	Very low	32.4	Very low	155 Å²	155	122.2 Å²	122.2	80%	0.795	76%	0.758	S	S	*	*			trans	85.7	82.2	163.9	-60.3	158.3	0	0	0	116.8
486	S	29.9	Very low	32.6	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	77%	0.765	S	S	*	*				85.6	152.6	124	-59.5	0	0	0	0	122.5
487	S	32.7	Very low	32.8	Very low	106 Å²	106	119.7 Å²	119.7	74%	0.741	77%	0.765	S	S	*	*			trans	75.9	107	158	-56.3	0	0	0	0	116.2
488	S	32.7	Very low	33	Very low	106 Å²	106	120.2 Å²	120.2	74%	0.741	76%	0.763	S	S	*	*				94.5	131.3	78	71.4	0	0	0	0	111.9
489	T	34.1	Very low	33.2	Very low	124 Å²	124	120.4 Å²	120.4	76%	0.761	76%	0.764	S	S	*	*			cis	-164	169.1	-6.8	-53.8	0	0	0	0	107.9
490	I	34.7	Very low	33.2	Very low	168 Å²	168	121.8 Å²	121.8	86%	0.862	77%	0.769	S	S	*	*			trans	75.3	139	167.2	-44.4	175.9	0	0	0	114.8
491	G	31.5	Very low	33.2	Very low	59 Å²	59	119.6 Å²	119.6	61%	0.608	76%	0.762	S	S	*	*			cis	156.3	154	-9.2	0	0	0	0	0	113.7
492	C	30.6	Very low	33.3	Very low	117 Å²	117	121.2 Å²	121.2	79%	0.791	76%	0.762	S	S	*	*			trans	65.2	132.5	-178.5	-57.5	0	0	0	0	115.1
493	T	31.6	Very low	33.3	Very low	123 Å²	123	120.6 Å²	120.6	76%	0.755	76%	0.758	S	S	*	*			cis	69.3	135.1	34.3	81	0	0	0	0	113.2
494	T	36.1	Very low	33.3	Very low	113 Å²	113	122.9 Å²	122.9	69%	0.693	76%	0.76	S	S	*	*				-168.1	161.7	66	-58.3	0	0	0	0	112.8
495	N	30.8	Very low	33.7	Very low	138 Å²	138	123.1 Å²	123.1	74%	0.738	76%	0.761	S	S	*	*			trans	-33.9	172.3	164.7	-41.6	-25.3	0	0	0	116.4
496	T	35.4	Very low	33.6	Very low	124 Å²	124	121 Å²	121	76%	0.761	76%	0.755	S	S	*	*			cis	-149.6	-153.5	26.2	-19.6	0	0	0	0	109.7
497	T	35.2	Very low	33.8	Very low	128 Å²	128	122.7 Å²	122.7	79%	0.785	76%	0.756	S	S	*	*			cis	-154	-164.6	17	-26.9	0	0	0	0	110.9
498	T	32.6	Very low	33.9	Very low	118 Å²	118	124.2 Å²	124.2	72%	0.724	76%	0.762	S	S	*	*			trans	-127.3	159.1	-174.7	52.3	0	0	0	0	113.4
499	T	35.8	Very low	33.7	Very low	148 Å²	148	123.3 Å²	123.3	91%	0.908	76%	0.76	S	S	*	*			trans	-164.9	170.1	136.1	16	0	0	0	0	112.4
500	T	33.6	Very low	33.7	Very low	120 Å²	120	129 Å²	129	74%	0.736	77%	0.769	S	S	*	*			trans	-142.3	178.7	-157.7	54.3	0	0	0	0	115.2
501	T	35.9	Very low	33.5	Very low	118 Å²	118	129.2 Å²	129.2	72%	0.724	77%	0.767	S	S	*	*			trans	91.1	129.5	143.2	14.2	0	0	0	0	122.3
502	S	37.2	Very low	33.6	Very low	108 Å²	108	135 Å²	135	76%	0.755	78%	0.777	S	S	*	*			trans	67.9	152.3	149.4	57.4	0	0	0	0	119.1
503	T	36.9	Very low	33.6	Very low	134 Å²	134	134.8 Å²	134.8	82%	0.822	77%	0.768	S	S	*	*			cis	-147.1	175.4	10.8	-21.9	0	0	0	0	112.9
504	T	32.5	Very low	33.7	Very low	111 Å²	111	135 Å²	135	68%	0.681	77%	0.769	S	S	*	*			trans	-82.5	163.5	-177.5	50	0	0	0	0	115.9
505	N	35.6	Very low	33.5	Very low	164 Å²	164	137.9 Å²	137.9	88%	0.877	77%	0.772	S	S	*	*				-162.7	164.3	127.4	-98.3	-15.6	0	0	0	112.4
506	T	31	Very low	33.7	Very low	110 Å²	110	136.2 Å²	136.2	68%	0.675	77%	0.771	S	S	*	*			trans	-134.2	-174.2	-165.4	60.5	0	0	0	0	113.1
507	N	33.9	Very low	33.5	Very low	140 Å²	140	137.4 Å²	137.4	75%	0.749	77%	0.773	S	S	*	*			trans	84.4	143.7	168.6	-48.5	-11.9	0	0	0	114.5
508	T	34.8	Very low	33.3	Very low	138 Å²	138	136.4 Å²	136.4	85%	0.847	77%	0.767	S	S	*	*			cis	-153.3	160.7	-5.6	0.7	0	0	0	0	110
509	A	29	Very low	33.1	Very low	86 Å²	86	135.9 Å²	135.9	71%	0.711	76%	0.764	S	S	*	*			trans	-92.5	158	-179.5	0	0	0	0	0	113.7
510	Y	33.3	Very low	32.8	Very low	243 Å²	243	141 Å²	141	95%	0.953	77%	0.766	S	S	*	*			trans	-145.5	148.1	149.7	-106.3	-75.3	0	0	0	112
511	H	29.4	Very low	32.5	Very low	174 Å²	174	139.8 Å²	139.8	81%	0.806	76%	0.763	S	S	*	*			trans	-96	148.7	-172	-114	-120.3	0	0	0	112.9
512	H	34.8	Very low	32.1	Very low	181 Å²	181	140.5 Å²	140.5	84%	0.838	76%	0.762	S	S	*	*			trans	-165	151.7	134.8	141.6	-101.3	0	0	0	110
513	N	30.2	Very low	31.6	Very low	111 Å²	111	141.9 Å²	141.9	59%	0.594	76%	0.761	S	S	*	*			trans	-151.4	128.4	-160.3	154.6	29.3	0	0	0	111.9	K515	N513-K515 PolarHBondContact OD1-N 3.08Å
514	V	33.8	Very low	31.5	Very low	129 Å²	129	140.3 Å²	140.3	78%	0.782	76%	0.756	S	S	*	*			trans	-142.7	121.2	146.6	-174.7	0	0	0	0	111.6
515	K	31.4	Very low	31.4	Very low	173 Å²	173	141.9 Å²	141.9	75%	0.752	76%	0.759	S	S	*	*			trans	-11.5	158.7	151.6	-58.3	163.2	-179.6	174.8	0	118.5	N513	N513-K515 PolarHBondContact OD1-N 3.08Å
516	S	36.5	Very low	31.2	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	75%	0.754	S	S	*	*			cis	-158.6	140.9	17.1	-2.4	0	0	0	0	110.9
517	N	30.3	Very low	31.1	Very low	149 Å²	149	143 Å²	143	80%	0.797	76%	0.76	S	S	*	*				56	138.9	94.6	-74.1	25.8	0	0	0	116.2
518	T	32.1	Very low	30.9	Very low	108 Å²	108	142 Å²	142	66%	0.663	77%	0.765	S	S	*	*			cis	-160.2	133	-0.4	12	0	0	0	0	107.2
519	T	28.4	Very low	30.6	Very low	107 Å²	107	146.9 Å²	146.9	66%	0.656	77%	0.767	S	S	*	*				68	121.6	74.7	-44.1	0	0	0	0	115.7
520	W	29.2	Very low	30.7	Very low	254 Å²	254	149.5 Å²	149.5	96%	0.962	77%	0.767	S	S	*	*			trans	-166.2	155.3	134.4	-85.2	-15.1	0	0	0	110.9
521	S	26.1	Very low	30.7	Very low	95 Å²	95	145 Å²	145	66%	0.664	77%	0.765	S	S	*	*			trans	-156.5	173.5	-154.3	-41.3	0	0	0	0	115
522	N	27.8	Very low	30.7	Very low	133 Å²	133	141.2 Å²	141.2	71%	0.711	75%	0.747	S	S	*	*			trans	86.4	124.9	151.2	-74.3	47.7	0	0	0	122.4
523	D	27.3	Very low	30.2	Very low	138 Å²	138	144.7 Å²	144.7	74%	0.738	75%	0.753	S	S	*	*			trans	62.8	143.3	131.4	-50	-27.7	0	0	0	121.4
524	S	34.2	Very low	30.2	Very low	100 Å²	100	147 Å²	147	70%	0.699	76%	0.76	S	S	*	*			cis	-164.1	144.1	32.5	37.1	0	0	0	0	116
525	I	29.9	Very low	30	Very low	145 Å²	145	144.2 Å²	144.2	74%	0.744	76%	0.757	S	S	*	*			trans	43.8	117.1	133.5	-50.2	166.7	0	0	0	120.8
526	S	31	Very low	29.9	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	76%	0.756	S	S	*	*				-176.2	100.9	123.1	-85.5	0	0	0	0	117.9
527	K	29.7	Very low	29.5	Very low	184 Å²	184	143.8 Å²	143.8	80%	0.8	76%	0.755	S	S	*	*			trans	40	137.3	134.7	-62.3	175.7	-179.4	173.2	0	124
528	S	28.9	Very low	29.4	Very low	120 Å²	120	143.9 Å²	143.9	84%	0.839	76%	0.756	S	S	*	*			trans	79.2	144.9	155.4	-58	0	0	0	0	117.9
529	R	29.3	Very low	29.2	Very low	239 Å²	239	145.4 Å²	145.4	90%	0.902	77%	0.765	S	S	*	*			cis	-138.9	146.3	5.1	-167.9	-179.5	-61.1	-151.5	1.2	110.5
530	M	30.9	Very low	29.2	Very low	141 Å²	141	147.7 Å²	147.7	70%	0.695	77%	0.768	S	S	*	*			trans	-99.8	155.3	-176.2	-64.7	153.1	61.9	0	0	113.4	H532	M530-H532 WeakPolarHBondContact CE-CD2 3.46Å
531	T	33.6	Very low	29.4	Very low	150 Å²	150	141.4 Å²	141.4	92%	0.92	76%	0.758	S	S	*	*			trans	-120.3	148.4	144.2	48.5	0	0	0	0	108
532	H	28.8	Very low	29.5	Very low	94 Å²	94	145.1 Å²	145.1	44%	0.435	76%	0.762	S	S	.	*			trans	-128.1	139.3	-152.9	-154.8	-42.6	0	0	0	113.9	M530 H534	M530-H532 WeakPolarHBondContact CE-CD2 3.46Å; H532-H534 AromaticContact CD2-NE2 3.85Å; H532-H534 AromaticContact CE1-CD2 3.4Å; H532-H534 PolarHBondContact CE1-CD2 2.89Å; H532-H534 AromaticContact CE1-CE1 3.34Å; H532-H534 PolarHBondContact CE1-CE1 2.71Å; H532-H534 AromaticContact CE1-CG 3.35Å; H532-H534 AromaticContact CE1-ND1 3.33Å; H532-H534 PolarHBondContact CE1-ND1 2.93Å; H532-H534 VanDerWaalsContact CE1-ND1 3.33Å; H532-H534 AromaticContact CE1-NE2 3.4Å; H532-H534 PolarHBondContact CE1-NE2 3.49Å; H532-H534 AromaticContact ND1-CD2 3.6Å; H532-H534 AromaticContact ND1-CG 3.79Å; H532-H534 PolarHBondContact ND1-N 3.22Å; H532-H534 AromaticContact ND1-NE2 3.92Å; H532-H534 AromaticContact NE2-CD2 3.85Å; H532-H534 AromaticContact NE2-CE1 3.33Å; H532-H534 PolarHBondContact NE2-CE1 2.86Å; H532-H534 VanDerWaalsContact NE2-CE1 3.33Å; H532-H534 AromaticContact NE2-ND1 3.8Å; H532-H534 AromaticContact NE2-NE2 3.36Å; H532-H534 PolarHBondContact NE2-NE2 3Å
533	W	25.9	Very low	30	Very low	254 Å²	254	146.9 Å²	146.9	96%	0.962	77%	0.768	S	S	*	*			trans	-132.1	115.5	153.2	-75.3	94.6	0	0	0	109.6
534	H	29.9	Very low	30.6	Very low	158 Å²	158	149 Å²	149	73%	0.731	77%	0.771	S	S	*	*			trans	-82.1	160.5	163.6	-67	-84.6	0	0	0	107.7	H532	H532-H534 AromaticContact CD2-NE2 3.85Å; H532-H534 AromaticContact CE1-CD2 3.4Å; H532-H534 PolarHBondContact CE1-CD2 2.89Å; H532-H534 AromaticContact CE1-CE1 3.34Å; H532-H534 PolarHBondContact CE1-CE1 2.71Å; H532-H534 AromaticContact CE1-CG 3.35Å; H532-H534 AromaticContact CE1-ND1 3.33Å; H532-H534 PolarHBondContact CE1-ND1 2.93Å; H532-H534 VanDerWaalsContact CE1-ND1 3.33Å; H532-H534 AromaticContact CE1-NE2 3.4Å; H532-H534 PolarHBondContact CE1-NE2 3.49Å; H532-H534 AromaticContact ND1-CD2 3.6Å; H532-H534 AromaticContact ND1-CG 3.79Å; H532-H534 PolarHBondContact ND1-N 3.22Å; H532-H534 AromaticContact ND1-NE2 3.92Å; H532-H534 AromaticContact NE2-CD2 3.85Å; H532-H534 AromaticContact NE2-CE1 3.33Å; H532-H534 PolarHBondContact NE2-CE1 2.86Å; H532-H534 VanDerWaalsContact NE2-CE1 3.33Å; H532-H534 AromaticContact NE2-ND1 3.8Å; H532-H534 AromaticContact NE2-NE2 3.36Å; H532-H534 PolarHBondContact NE2-NE2 3Å
535	G	28.1	Very low	31.2	Very low	71 Å²	71	149.8 Å²	149.8	73%	0.732	76%	0.762	S	S	*	*			cis	-179.4	-174.3	-0.3	0	0	0	0	0	106.9
536	N	30	Very low	31.9	Very low	135 Å²	135	148.4 Å²	148.4	72%	0.722	76%	0.76	S	S	*	*			cis	-162.5	132.2	4.6	-161.8	27.8	0	0	0	108.4
537	N	28.5	Very low	33.2	Very low	131 Å²	131	147 Å²	147	70%	0.701	75%	0.746	S	S	*	*			trans	50.8	117.6	164.7	-51	-26.8	0	0	0	118.2
538	N	27	Very low	34.5	Very low	152 Å²	152	140.7 Å²	140.7	81%	0.813	72%	0.721	S	S	*	*	S	Bend		-158.1	152.4	62.5	-103.1	-26.8	0	0	0	113
539	V	29.7	Very low	35.8	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	72%	0.723	S	S	*	*			trans	51.3	67.4	172.7	-163.4	0	0	0	0	114.6
540	E	27.9	Very low	37.3	Very low	155 Å²	155	137.4 Å²	137.4	72%	0.724	71%	0.71	S	S	*	*			trans	-104	102.3	175.1	-173.4	-177.8	-117.1	0	0	111	K542	E540-K542 PolarHBondContact O-N 3.42Å; E540-K542 WeakPolarHBondContact OE2-CE 3.47Å
541	T	33.6	Very low	39.2	Very low	122 Å²	122	133.3 Å²	133.3	75%	0.748	70%	0.704	S	S	*	*			trans	-71.8	96.2	178.1	-47.3	0	0	0	0	110.2	M543	T541-M543 VanDerWaalsContact C-N 3.3Å; T541-M543 PolarHBondContact O-N 3.36Å
542	K	28	Very low	41.3	Very low	174 Å²	174	128.1 Å²	128.1	76%	0.757	67%	0.671	S	S	*	*			trans	-69.3	77.5	-175	-77	178.6	175.7	167.4	0	113.9	E540 K544	E540-K542 PolarHBondContact O-N 3.42Å; E540-K542 WeakPolarHBondContact OE2-CE 3.47Å; K542-K544 PolarHBondContact O-N 3.1Å
543	M	38	Very low	44.1	Very low	169 Å²	169	125.7 Å²	125.7	83%	0.833	66%	0.66	S	S	*	*			trans	-64	84	152.1	-72.3	-61.6	-173.7	0	0	108.6	T541 K545	T541-M543 VanDerWaalsContact C-N 3.3Å; T541-M543 PolarHBondContact O-N 3.36Å; M543-K545 PolarHBondContact O-N 2.8Å
544	K	40.5	Very low	47.2	Very low	182 Å²	182	114 Å²	114	79%	0.791	62%	0.616	S	S	*	*			trans	-58.1	129.5	169.1	-169.2	179.9	-176.2	-175.1	0	106.9	K542 V546	K542-K544 PolarHBondContact O-N 3.1Å; K544-V546 VanDerWaalsContact C-N 3.25Å; K544-V546 WeakPolarHBondContact O-CG2 3.28Å; K544-V546 PolarHBondContact O-N 3.15Å
545	K	45.7	Very low	50	Low	118 Å²	118	111 Å²	111	51%	0.513	61%	0.605	S	S	.	*			trans	-65.7	81.6	-176.8	-174.6	158	175.8	154	0	111.5	M543 V547 R601 S603	M543-K545 PolarHBondContact O-N 2.8Å; K545-V547 PolarHBondContact O-N 3.05Å; K545-R601 PolarHBondContact NZ-O 3.36Å; K545-S603 WeakPolarHBondContact CE-OG 3.25Å; K545-S603 PolarHBondContact NZ-OG 3.28Å
546	V	44.9	Very low	52.7	Low	116 Å²	116	110.8 Å²	110.8	70%	0.703	59%	0.585	S	S	*	*			trans	-75.8	110.4	175.7	171.7	0	0	0	0	107.3	K544 N548	K544-V546 VanDerWaalsContact C-N 3.25Å; K544-V546 WeakPolarHBondContact O-CG2 3.28Å; K544-V546 PolarHBondContact O-N 3.15Å; V546-N548 PolarHBondContact O-N 2.92Å
547	V	57.5	Low	55.3	Low	82 Å²	82	105.3 Å²	105.3	50%	0.497	55%	0.554	S	S	.	*			trans	-58.5	128.3	159.8	-177.3	0	0	0	0	106.6	K545 G551 I553	K545-V547 PolarHBondContact O-N 3.05Å; V547-G551 VanDerWaalsContact CG1-C 3.49Å; V547-G551 WeakPolarHBondContact CG1-O 3.32Å; V547-I553 HydrophobicContact CG2-CG2 4.43Å
548	N	57.4	Low	57.6	Low	52 Å²	52	106.2 Å²	106.2	28%	0.278	55%	0.554	S	S	.	*			trans	-57.5	154.3	179.7	-167.9	-10.9	0	0	0	109.7	V546 K550 G551 N552	V546-N548 PolarHBondContact O-N 2.92Å; N548-K550 PolarHBondContact O-N 3.01Å; N548-G551 WeakPolarHBondContact O-CA 3.48Å; N548-G551 PolarHBondContact O-N 3.25Å; N548-N552 HydrophobicContact CB-CB 4.45Å; N548-N552 WeakPolarHBondContact CB-O 3.37Å; N548-N552 PolarHBondContact N-O 3.48Å
549	T	56.2	Low	60.2	Low	144 Å²	144	102.9 Å²	102.9	88%	0.883	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.5	177.8	54.9	0	0	0	0	112.7	G551	T549-G551 VanDerWaalsContact C-N 3.27Å; T549-G551 PolarHBondContact O-N 3.36Å
550	K	61.2	Low	62.8	Low	147 Å²	147	100.1 Å²	100.1	64%	0.639	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	1	172.4	-57.8	178.3	-180	176.8	0	114.9	N548 N552	N548-K550 PolarHBondContact O-N 3.01Å; K550-N552 VanDerWaalsContact C-N 3.27Å; K550-N552 PolarHBondContact O-N 3.5Å
551	G	70.5	Confident	65.6	Low	54 Å²	54	97.8 Å²	97.8	56%	0.557	51%	0.506	S	S	*	.	S	Bend	trans	80.4	-6.1	-175.3	0	0	0	0	0	115.7	V547 N548 T549	V547-G551 VanDerWaalsContact CG1-C 3.49Å; V547-G551 WeakPolarHBondContact CG1-O 3.32Å; N548-G551 WeakPolarHBondContact O-CA 3.48Å; N548-G551 PolarHBondContact O-N 3.25Å; T549-G551 VanDerWaalsContact C-N 3.27Å; T549-G551 PolarHBondContact O-N 3.36Å
552	N	77.9	Confident	68	Low	42 Å²	42	94 Å²	94	23%	0.225	48%	0.482	C	S	.	.			trans	-75.2	144.2	-179.4	-164.4	-2	0	0	0	112.2	N548 K550 F554 D618	N548-N552 HydrophobicContact CB-CB 4.45Å; N548-N552 WeakPolarHBondContact CB-O 3.37Å; N548-N552 PolarHBondContact N-O 3.48Å; K550-N552 VanDerWaalsContact C-N 3.27Å; K550-N552 PolarHBondContact O-N 3.5Å; N552-F554 WeakPolarHBondContact OD1-CD2 3.38Å; N552-F554 PolarHBondContact OD1-N 2.72Å; N552-D618 VanDerWaalsContact ND2-CB 3.3Å; N552-D618 WeakPolarHBondContact ND2-CB 3.33Å; N552-D618 PolarHBondContact ND2-OD2 3.39Å
553	I	88	Confident	70.7	Confident	42 Å²	42	86.3 Å²	86.3	22%	0.215	45%	0.449	C	S	.	.	S	Bend	trans	-95.9	-12.1	173.2	67.7	166.3	0	0	0	113.6	V547 S603	V547-I553 HydrophobicContact CG2-CG2 4.43Å; I553-S603 VanDerWaalsContact O-CB 3.26Å; I553-S603 WeakPolarHBondContact O-CB 3.49Å
554	F	90.9	Very high	72.9	Confident	9 Å²	9	83.4 Å²	83.4	4%	0.039	44%	0.435	C	S	.	.	S	Bend	trans	-91.6	156.7	179.8	-52.6	-56.6	0	0	0	111.2	N552 L594 L597 T598 V602 I616 D618	N552-F554 WeakPolarHBondContact OD1-CD2 3.38Å; N552-F554 PolarHBondContact OD1-N 2.72Å; F554-L594 HydrophobicContact CD1-CD2 4.48Å; F554-L594 HydrophobicContact CD2-CD2 3.9Å; F554-L594 HydrophobicContact CE1-CD2 4.36Å; F554-L594 HydrophobicContact CE2-CB 3.9Å; F554-L594 HydrophobicContact CE2-CD2 3.79Å; F554-L594 HydrophobicContact CE2-CG 4.33Å; F554-L594 HydrophobicContact CG-CD2 4.26Å; F554-L594 HydrophobicContact CZ-CB 4.34Å; F554-L594 HydrophobicContact CZ-CD2 4.03Å; F554-L594 WeakPolarHBondContact CZ-O 3.35Å; F554-L597 HydrophobicContact CE1-CB 3.85Å; F554-L597 HydrophobicContact CZ-CB 3.79Å; F554-T598 VanDerWaalsContact CE2-OG1 3.29Å; F554-T598 WeakPolarHBondContact CE2-OG1 3.42Å; F554-T598 VanDerWaalsContact CZ-OG1 3.32Å; F554-T598 WeakPolarHBondContact CZ-OG1 3.28Å; F554-V602 WeakPolarHBondContact CE1-O 3.16Å; F554-I616 HydrophobicContact CB-CG2 4.48Å; F554-I616 HydrophobicContact CD1-CB 3.75Å; F554-I616 HydrophobicContact CD1-CG2 3.28Å; F554-I616 HydrophobicContact CE1-CB 4.21Å; F554-I616 HydrophobicContact CE1-CD1 4.37Å; F554-I616 HydrophobicContact CE1-CG2 3.63Å; F554-I616 HydrophobicContact CG-CG2 4Å; F554-D618 HydrophobicContact CB-CB 4.14Å
555	L	88	Confident	74.7	Confident	96 Å²	96	79.9 Å²	79.9	50%	0.503	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-77.4	140	174.3	-60.6	-171.2	0	0	0	110.1	R557 P615 I616 Y617 D618	L555-R557 PolarHBondContact O-N 2.78Å; L555-P615 HydrophobicContact CD1-CB 3.7Å; L555-P615 HydrophobicContact CD1-CG 4.48Å; L555-P615 HydrophobicContact CG-CB 4.45Å; L555-I616 PolarHBondContact N-O 3.37Å; L555-Y617 HydrophobicContact CB-CD1 3.92Å; L555-Y617 HydrophobicContact CB-CE1 4.07Å; L555-Y617 CarbonylContact O-C 3.6Å; L555-Y617 WeakPolarHBondContact O-CA 3.4Å; L555-D618 PolarHBondContact O-N 3.26Å
556	Q	85.9	Confident	76.4	Confident	66 Å²	66	74.5 Å²	74.5	31%	0.308	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-78.8	121.2	170.2	-175.3	178.3	-16.9	0	0	108.6	H558 D618	Q556-H558 VanDerWaalsContact CG-CE1 3.47Å; Q556-H558 WeakPolarHBondContact CG-CE1 3.47Å; Q556-H558 PolarHBondContact NE2-NE2 3.24Å; Q556-H558 PolarHBondContact O-N 2.95Å; Q556-H558 PolarHBondContact O-ND1 2.89Å; Q556-D618 WeakPolarHBondContact CA-OD1 3.36Å
557	R	84.5	Confident	78	Confident	19 Å²	19	70.3 Å²	70.3	7%	0.072	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-75.4	117.5	-179.1	-168.4	-179.2	-82	-87.3	12.1	109.7	L555 D559 F560 Y617 P621 D624	L555-R557 PolarHBondContact O-N 2.78Å; R557-D559 WeakPolarHBondContact CG-O 3.38Å; R557-D559 PolarHBondContact NH1-O 3.03Å; R557-F560 HydrophobicContact CG-CD1 4.41Å; R557-F560 HydrophobicContact CG-CE1 4.09Å; R557-Y617 HydrophobicContact CB-CD1 3.54Å; R557-Y617 HydrophobicContact CB-CE1 4.2Å; R557-Y617 HydrophobicContact CB-CG 3.98Å; R557-Y617 HydrophobicContact CG-CD1 3.97Å; R557-Y617 HydrophobicContact CG-CE1 4.22Å; R557-Y617 HydrophobicContact CG-CG 4.35Å; R557-Y617 VanDerWaalsContact CZ-CD2 3.49Å; R557-Y617 VanDerWaalsContact NH2-CE2 3.27Å; R557-P621 PolarHBondContact NE-O 2.85Å; R557-P621 PolarHBondContact NH2-O 3.34Å; R557-D624 IonicContact CZ-OD1 2.7Å; R557-D624 VanDerWaalsContact CZ-OD1 3.24Å; R557-D624 IonicContact NH1-OD1 3.11Å; R557-D624 PolarHBondContact NH1-OD1 2.87Å; R557-D624 IonicContact NH2-OD1 2.76Å; R557-D624 PolarHBondContact NH2-OD1 3.26Å
558	H	77.3	Confident	79.1	Confident	150 Å²	150	71 Å²	71	69%	0.694	38%	0.377	S	S	*	.			trans	-118.7	-5.6	175.7	-59.5	92.3	0	0	0	112.7	Q556	Q556-H558 VanDerWaalsContact CG-CE1 3.47Å; Q556-H558 WeakPolarHBondContact CG-CE1 3.47Å; Q556-H558 PolarHBondContact NE2-NE2 3.24Å; Q556-H558 PolarHBondContact O-N 2.95Å; Q556-H558 PolarHBondContact O-ND1 2.89Å
559	D	81.2	Confident	80.1	Confident	83 Å²	83	72.9 Å²	72.9	44%	0.444	38%	0.384	S	S	.	.			trans	-136.1	146	-177.1	-164.8	6.5	0	0	0	111.7	R557 N561	R557-D559 WeakPolarHBondContact CG-O 3.38Å; R557-D559 PolarHBondContact NH1-O 3.03Å; D559-N561 WeakPolarHBondContact OD1-CB 3.35Å; D559-N561 PolarHBondContact OD1-N 3.38Å; D559-N561 PolarHBondContact OD1-ND2 2.85Å; D559-N561 PolarHBondContact OD2-ND2 3.31Å
560	F	84.8	Confident	81.4	Confident	81 Å²	81	66.1 Å²	66.1	36%	0.355	34%	0.343	S	S	.	.			trans	-128.7	1.8	-179.3	-56	-67.2	0	0	0	111.8	R557 V562 F563 M578	R557-F560 HydrophobicContact CG-CD1 4.41Å; R557-F560 HydrophobicContact CG-CE1 4.09Å; F560-V562 PolarHBondContact O-N 3.22Å; F560-F563 HydrophobicContact CB-CD2 3.84Å; F560-F563 HydrophobicContact CB-CE2 3.72Å; F560-F563 HydrophobicContact CD1-CD2 4.41Å; F560-F563 AromaticContact CD1-CE2 3.46Å; F560-F563 HydrophobicContact CD1-CE2 3.46Å; F560-F563 VanDerWaalsContact CD1-CE2 3.46Å; F560-F563 AromaticContact CD1-CZ 3.95Å; F560-F563 HydrophobicContact CD1-CZ 3.95Å; F560-F563 HydrophobicContact CE1-CE2 4.44Å; F560-F563 HydrophobicContact CG-CE2 4Å; F560-F563 WeakPolarHBondContact O-CB 3.11Å; F560-F563 WeakPolarHBondContact O-CD2 3.27Å; F560-F563 WeakPolarHBondContact O-CG 3.32Å; F560-F563 PolarHBondContact O-N 2.84Å; F560-M578 HydrophobicContact CE1-CE 4.01Å; F560-M578 HydrophobicContact CZ-CE 4.05Å
561	N	85.1	Confident	82.5	Confident	105 Å²	105	61.3 Å²	61.3	56%	0.561	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-52.7	-27.3	177.4	-74.9	-40	0	0	0	113.4	D559 F563 M564	D559-N561 WeakPolarHBondContact OD1-CB 3.35Å; D559-N561 PolarHBondContact OD1-N 3.38Å; D559-N561 PolarHBondContact OD1-ND2 2.85Å; D559-N561 PolarHBondContact OD2-ND2 3.31Å; N561-F563 PolarHBondContact O-N 3.38Å; N561-F563 VanDerWaalsContact O-N 3.15Å; N561-M564 WeakPolarHBondContact O-CB 3.45Å; N561-M564 WeakPolarHBondContact O-CG 3.48Å; N561-M564 PolarHBondContact O-N 3.21Å
562	V	83.8	Confident	83.1	Confident	43 Å²	43	60 Å²	60	26%	0.261	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.4	-22.2	175.3	70	0	0	0	0	113.1	F560 M564 N565 D624 M778	F560-V562 PolarHBondContact O-N 3.22Å; V562-M564 VanDerWaalsContact C-N 3.31Å; V562-N565 WeakPolarHBondContact O-CB 3.33Å; V562-N565 PolarHBondContact O-N 3.32Å; V562-N565 PolarHBondContact O-ND2 3.24Å; V562-D624 VanDerWaalsContact CG1-OD1 3.29Å; V562-D624 WeakPolarHBondContact CG1-OD1 3.47Å; V562-D624 HydrophobicContact CG2-CB 4.28Å; V562-M778 HydrophobicContact CB-CE 4.3Å; V562-M778 HydrophobicContact CG1-CE 4.07Å; V562-M778 HydrophobicContact CG2-CE 3.67Å; V562-M778 WeakPolarHBondContact O-CE 3.46Å
563	F	85.8	Confident	83.2	Confident	12 Å²	12	60.5 Å²	60.5	5%	0.053	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-77.6	-12.2	173.2	-49.6	-29.7	0	0	0	113.6	F560 N561 N565 L566 Q571 I576 P621 M778 V814	F560-F563 HydrophobicContact CB-CD2 3.84Å; F560-F563 HydrophobicContact CB-CE2 3.72Å; F560-F563 HydrophobicContact CD1-CD2 4.41Å; F560-F563 AromaticContact CD1-CE2 3.46Å; F560-F563 HydrophobicContact CD1-CE2 3.46Å; F560-F563 VanDerWaalsContact CD1-CE2 3.46Å; F560-F563 AromaticContact CD1-CZ 3.95Å; F560-F563 HydrophobicContact CD1-CZ 3.95Å; F560-F563 HydrophobicContact CE1-CE2 4.44Å; F560-F563 HydrophobicContact CG-CE2 4Å; F560-F563 WeakPolarHBondContact O-CB 3.11Å; F560-F563 WeakPolarHBondContact O-CD2 3.27Å; F560-F563 WeakPolarHBondContact O-CG 3.32Å; F560-F563 PolarHBondContact O-N 2.84Å; N561-F563 PolarHBondContact O-N 3.38Å; N561-F563 VanDerWaalsContact O-N 3.15Å; F563-N565 PolarHBondContact O-N 2.91Å; F563-L566 HydrophobicContact CB-CD1 4.03Å; F563-L566 HydrophobicContact CD1-CD1 4.44Å; F563-L566 HydrophobicContact CG-CD1 4.46Å; F563-L566 VanDerWaalsContact O-CB 3.26Å; F563-L566 WeakPolarHBondContact O-CB 3.29Å; F563-L566 PolarHBondContact O-N 3.47Å; F563-Q571 WeakPolarHBondContact O-CG 3.27Å; F563-I576 HydrophobicContact CB-CD1 4.09Å; F563-I576 HydrophobicContact CD1-CD1 4.49Å; F563-I576 HydrophobicContact CD2-CD1 3.72Å; F563-I576 HydrophobicContact CD2-CG2 4.43Å; F563-I576 HydrophobicContact CE2-CD1 4.35Å; F563-I576 HydrophobicContact CE2-CG2 4.02Å; F563-I576 HydrophobicContact CG-CD1 3.84Å; F563-I576 HydrophobicContact CZ-CG2 4.22Å; F563-P621 HydrophobicContact CE1-CG 3.9Å; F563-P621 HydrophobicContact CE2-CG 4.14Å; F563-P621 HydrophobicContact CZ-CG 3.28Å; F563-M778 HydrophobicContact CD1-CE 3.82Å; F563-M778 HydrophobicContact CD1-SD 3.7Å; F563-M778 HydrophobicContact CE1-CE 4.21Å; F563-M778 HydrophobicContact CE1-SD 4.14Å; F563-V814 HydrophobicContact CE1-CG1 4.37Å
564	M	83.5	Confident	82.9	Confident	109 Å²	109	63.5 Å²	63.5	54%	0.537	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.9	171.5	-56.3	-65.3	93	0	0	111.8	N561 V562 L566 Q571	N561-M564 WeakPolarHBondContact O-CB 3.45Å; N561-M564 WeakPolarHBondContact O-CG 3.48Å; N561-M564 PolarHBondContact O-N 3.21Å; V562-M564 VanDerWaalsContact C-N 3.31Å; M564-L566 VanDerWaalsContact C-N 3.3Å; M564-Q571 PolarHBondContact O-NE2 3.04Å
565	N	79.7	Confident	82.6	Confident	107 Å²	107	65.7 Å²	65.7	57%	0.572	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-77.4	-11.6	171.9	-58.6	-29.6	0	0	0	113.3	V562 F563	V562-N565 WeakPolarHBondContact O-CB 3.33Å; V562-N565 PolarHBondContact O-N 3.32Å; V562-N565 PolarHBondContact O-ND2 3.24Å; F563-N565 PolarHBondContact O-N 2.91Å
566	L	80.6	Confident	82.5	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	31%	0.31	C	S	.	.	S	Bend	trans	-78.5	150.3	172.9	-62	175.3	0	0	0	110.2	F563 M564 N568 K570 Q571 I576 M778 H782 V814	F563-L566 HydrophobicContact CB-CD1 4.03Å; F563-L566 HydrophobicContact CD1-CD1 4.44Å; F563-L566 HydrophobicContact CG-CD1 4.46Å; F563-L566 VanDerWaalsContact O-CB 3.26Å; F563-L566 WeakPolarHBondContact O-CB 3.29Å; F563-L566 PolarHBondContact O-N 3.47Å; M564-L566 VanDerWaalsContact C-N 3.3Å; L566-N568 PolarHBondContact O-N 3.09Å; L566-K570 HydrophobicContact CB-CB 4.2Å; L566-Q571 HydrophobicContact CB-CG 4.23Å; L566-Q571 PolarHBondContact O-NE2 3.27Å; L566-I576 HydrophobicContact CD1-CD1 3.94Å; L566-I576 HydrophobicContact CD1-CG1 4.17Å; L566-M778 HydrophobicContact CD1-SD 4.01Å; L566-M778 HydrophobicContact CD2-CB 4.07Å; L566-M778 HydrophobicContact CD2-CG 4.2Å; L566-M778 HydrophobicContact CD2-SD 3.74Å; L566-M778 HydrophobicContact CG-SD 3.96Å; L566-H782 WeakPolarHBondContact CD2-CE1 3.25Å; L566-V814 HydrophobicContact CD1-CG2 4.09Å; L566-V814 HydrophobicContact CD2-CG2 4.24Å
567	P	78.5	Confident	82.5	Confident	29 Å²	29	60 Å²	60	19%	0.188	30%	0.303	C	S	.	.			trans	-53.2	140	168.9	-23.9	33.3	0	0	0	111.4	H569 K570 N785	P567-H569 PolarHBondContact O-N 3.13Å; P567-K570 WeakPolarHBondContact O-CA 3.26Å; P567-K570 WeakPolarHBondContact O-CB 3.47Å; P567-K570 PolarHBondContact O-N 2.92Å; P567-N785 HydrophobicContact CG-CB 4.3Å
568	N	80.5	Confident	82.3	Confident	96 Å²	96	60.9 Å²	60.9	51%	0.513	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-51.7	-34.6	-172.2	-60.6	17.9	0	0	0	114.1	T292 L566 K570 Q571	T292-N568 HydrophobicContact CG2-CB 4.31Å; L566-N568 PolarHBondContact O-N 3.09Å; N568-K570 PolarHBondContact O-N 2.91Å; N568-Q571 PolarHBondContact O-N 3.48Å
569	H	79.5	Confident	82	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.426	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-67	-12.5	177.2	66.8	-101.9	0	0	0	114.4	P567 N572 F575	P567-H569 PolarHBondContact O-N 3.13Å; H569-N572 PolarHBondContact O-ND2 3.42Å; H569-F575 WeakPolarHBondContact O-CD2 3.26Å; H569-F575 WeakPolarHBondContact O-CE2 3.34Å
570	K	81.9	Confident	80.9	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-104.5	-4.3	176.3	-70.4	-160.6	153.8	-149.8	0	115	L566 P567 N568 N572 F575 H782 T810 L812	L566-K570 HydrophobicContact CB-CB 4.2Å; P567-K570 WeakPolarHBondContact O-CA 3.26Å; P567-K570 WeakPolarHBondContact O-CB 3.47Å; P567-K570 PolarHBondContact O-N 2.92Å; N568-K570 PolarHBondContact O-N 2.91Å; K570-N572 PolarHBondContact O-N 3.48Å; K570-F575 HydrophobicContact CB-CB 4.03Å; K570-F575 HydrophobicContact CB-CD2 4.33Å; K570-F575 HydrophobicContact CB-CG 4.19Å; K570-F575 HydrophobicContact CD-CB 4.43Å; K570-F575 HydrophobicContact CD-CD1 4.28Å; K570-F575 HydrophobicContact CD-CG 4.36Å; K570-F575 HydrophobicContact CG-CB 4.12Å; K570-F575 HydrophobicContact CG-CD1 4.09Å; K570-F575 HydrophobicContact CG-CD2 4.09Å; K570-F575 HydrophobicContact CG-CG 3.84Å; K570-H782 WeakPolarHBondContact CD-NE2 3.39Å; K570-H782 WeakPolarHBondContact CE-NE2 3.24Å; K570-H782 PolarHBondContact NZ-NE2 3.01Å; K570-T810 WeakPolarHBondContact CE-O 3.45Å; K570-T810 PolarHBondContact NZ-O 3Å; K570-L812 PolarHBondContact NZ-O 3Å
571	Q	85.7	Confident	79.5	Confident	46 Å²	46	56.3 Å²	56.3	22%	0.215	29%	0.293	C	S	.	.	S	Bend	trans	-79.7	53.5	-178.3	-61.3	-175.9	9.3	0	0	111.5	F563 M564 L566 N568	F563-Q571 WeakPolarHBondContact O-CG 3.27Å; M564-Q571 PolarHBondContact O-NE2 3.04Å; L566-Q571 HydrophobicContact CB-CG 4.23Å; L566-Q571 PolarHBondContact O-NE2 3.27Å; N568-Q571 PolarHBondContact O-N 3.48Å
572	N	82.3	Confident	77.5	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.139	30%	0.296	C	S	.	.	S	Bend	trans	-157.8	164	-175.1	60.7	73.9	0	0	0	111.7	H569 K570 Y574 F575 I576	H569-N572 PolarHBondContact O-ND2 3.42Å; K570-N572 PolarHBondContact O-N 3.48Å; N572-Y574 PolarHBondContact O-N 3.13Å; N572-Y574 VanDerWaalsContact O-N 3.13Å; N572-Y574 WeakPolarHBondContact OD1-CB 3.39Å; N572-Y574 WeakPolarHBondContact OD1-CD2 3.35Å; N572-Y574 PolarHBondContact OD1-N 2.8Å; N572-Y574 VanDerWaalsContact OD1-N 3.14Å; N572-F575 PolarHBondContact O-N 2.88Å; N572-F575 VanDerWaalsContact O-N 3.13Å; N572-F575 WeakPolarHBondContact OD1-CD2 3.32Å; N572-I576 PolarHBondContact O-N 3.25Å
573	A	80.7	Confident	75.8	Confident	54 Å²	54	59.7 Å²	59.7	45%	0.446	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.8	-174.5	0	0	0	0	0	115.2	F575 I576 M578	A573-F575 VanDerWaalsContact C-N 3.28Å; A573-I576 VanDerWaalsContact O-O 3.12Å; A573-M578 HydrophobicContact CB-CG 4.3Å
574	Y	82.1	Confident	74.3	Confident	105 Å²	105	62.2 Å²	62.2	41%	0.412	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.2	173.4	-55.6	-72.4	0	0	0	113.1	L210 N572 L813	L210-Y574 HydrophobicContact CB-CE1 4.43Å; L210-Y574 HydrophobicContact CD1-CE1 4.05Å; N572-Y574 PolarHBondContact O-N 3.13Å; N572-Y574 VanDerWaalsContact O-N 3.13Å; N572-Y574 WeakPolarHBondContact OD1-CB 3.39Å; N572-Y574 WeakPolarHBondContact OD1-CD2 3.35Å; N572-Y574 PolarHBondContact OD1-N 2.8Å; N572-Y574 VanDerWaalsContact OD1-N 3.14Å; Y574-L813 WeakPolarHBondContact O-CD1 3.1Å
575	F	83.9	Confident	73.1	Confident	55 Å²	55	57.6 Å²	57.6	24%	0.241	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	1.4	178.5	-66.5	-78	0	0	0	113.4	H569 K570 N572 A573 L813 V814	H569-F575 WeakPolarHBondContact O-CD2 3.26Å; H569-F575 WeakPolarHBondContact O-CE2 3.34Å; K570-F575 HydrophobicContact CB-CB 4.03Å; K570-F575 HydrophobicContact CB-CD2 4.33Å; K570-F575 HydrophobicContact CB-CG 4.19Å; K570-F575 HydrophobicContact CD-CB 4.43Å; K570-F575 HydrophobicContact CD-CD1 4.28Å; K570-F575 HydrophobicContact CD-CG 4.36Å; K570-F575 HydrophobicContact CG-CB 4.12Å; K570-F575 HydrophobicContact CG-CD1 4.09Å; K570-F575 HydrophobicContact CG-CD2 4.09Å; K570-F575 HydrophobicContact CG-CG 3.84Å; N572-F575 PolarHBondContact O-N 2.88Å; N572-F575 VanDerWaalsContact O-N 3.13Å; N572-F575 WeakPolarHBondContact OD1-CD2 3.32Å; A573-F575 VanDerWaalsContact C-N 3.28Å; F575-L813 CarbonylContact O-C 3.58Å; F575-V814 PolarHBondContact O-N 3.3Å
576	I	86.4	Confident	72.5	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.041	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-137.1	119	-176.6	-51.3	172.5	0	0	0	108.2	F563 L566 N572 A573 M578 P621 V814	F563-I576 HydrophobicContact CB-CD1 4.09Å; F563-I576 HydrophobicContact CD1-CD1 4.49Å; F563-I576 HydrophobicContact CD2-CD1 3.72Å; F563-I576 HydrophobicContact CD2-CG2 4.43Å; F563-I576 HydrophobicContact CE2-CD1 4.35Å; F563-I576 HydrophobicContact CE2-CG2 4.02Å; F563-I576 HydrophobicContact CG-CD1 3.84Å; F563-I576 HydrophobicContact CZ-CG2 4.22Å; L566-I576 HydrophobicContact CD1-CD1 3.94Å; L566-I576 HydrophobicContact CD1-CG1 4.17Å; N572-I576 PolarHBondContact O-N 3.25Å; A573-I576 VanDerWaalsContact O-O 3.12Å; I576-M578 HydrophobicContact CG2-SD 4.05Å; I576-M578 PolarHBondContact O-N 2.89Å; I576-P621 HydrophobicContact CG2-CB 4.44Å; I576-P621 HydrophobicContact CG2-CG 4Å; I576-V814 CarbonylContact C-O 3.59Å; I576-V814 WeakPolarHBondContact CA-O 3.37Å; I576-V814 HydrophobicContact CB-CB 4.49Å; I576-V814 HydrophobicContact CG1-CB 4.24Å; I576-V814 HydrophobicContact CG2-CB 4.37Å; I576-V814 HydrophobicContact CG2-CG1 4.33Å
577	Q	84	Confident	72.4	Confident	35 Å²	35	56.8 Å²	56.8	16%	0.164	32%	0.315	C	S	.	.			trans	-63.2	126.5	173.3	-168.4	58.7	68	0	0	109.6	D581 F620 L813 V814	Q577-D581 PolarHBondContact NE2-OD2 2.89Å; Q577-F620 HydrophobicContact CB-CD1 4.02Å; Q577-F620 HydrophobicContact CB-CE1 4.44Å; Q577-F620 HydrophobicContact CB-CG 4.42Å; Q577-F620 HydrophobicContact CG-CB 4.27Å; Q577-F620 HydrophobicContact CG-CD1 3.42Å; Q577-F620 VanDerWaalsContact CG-CD1 3.42Å; Q577-F620 HydrophobicContact CG-CD2 4Å; Q577-F620 HydrophobicContact CG-CE1 3.59Å; Q577-F620 HydrophobicContact CG-CE2 4.11Å; Q577-F620 HydrophobicContact CG-CG 3.67Å; Q577-F620 HydrophobicContact CG-CZ 3.93Å; Q577-L813 HydrophobicContact CB-CD2 3.67Å; Q577-L813 HydrophobicContact CG-CD2 4.5Å; Q577-V814 PolarHBondContact N-O 2.95Å
578	M	81.3	Confident	72.5	Confident	36 Å²	36	59.2 Å²	59.2	18%	0.177	33%	0.327	C	S	.	.			trans	-117.2	167.4	171.1	-55.7	-58.4	-63.1	0	0	109.5	F560 A573 I576 D580 N586	F560-M578 HydrophobicContact CE1-CE 4.01Å; F560-M578 HydrophobicContact CZ-CE 4.05Å; A573-M578 HydrophobicContact CB-CG 4.3Å; I576-M578 HydrophobicContact CG2-SD 4.05Å; I576-M578 PolarHBondContact O-N 2.89Å; M578-D580 VanDerWaalsContact C-N 3.33Å; M578-N586 PolarHBondContact O-ND2 3.23Å
579	D	71.6	Confident	72.6	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.2	-179.8	-59.3	-76.5	0	0	0	113.6	D581 N586 R590 H619 F620	D579-D581 VanDerWaalsContact C-N 3.29Å; D579-D581 PolarHBondContact O-N 3.02Å; D579-D581 VanDerWaalsContact O-N 3.15Å; D579-N586 PolarHBondContact O-ND2 3.37Å; D579-R590 VanDerWaalsContact OD1-CD 3.24Å; D579-R590 WeakPolarHBondContact OD1-CD 3.29Å; D579-R590 IonicContact OD1-CZ 3.43Å; D579-R590 IonicContact OD1-NE 3.15Å; D579-R590 PolarHBondContact OD1-NE 3.24Å; D579-R590 IonicContact OD1-NH1 3.58Å; D579-R590 PolarHBondContact OD1-NH1 3.22Å; D579-H619 IonicContact OD1-CD2 2.64Å; D579-H619 WeakPolarHBondContact OD2-CB 3.29Å; D579-H619 IonicContact OD2-CD2 3.54Å; D579-H619 PolarHBondContact OD2-CD2 2.86Å; D579-H619 IonicContact OD2-CG 2.68Å; D579-F620 VanDerWaalsContact CG-N 3.32Å; D579-F620 WeakPolarHBondContact OD1-CD2 3.47Å; D579-F620 PolarHBondContact OD1-N 3.47Å; D579-F620 PolarHBondContact OD2-N 2.87Å
580	D	57.5	Low	73	Confident	101 Å²	101	52.5 Å²	52.5	54%	0.54	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.8	-164.8	-69.9	-46.9	0	0	0	116.1	R306 M578 S582	R306-D580 IonicContact NH1-OD1 2.68Å; M578-D580 VanDerWaalsContact C-N 3.33Å; D580-S582 PolarHBondContact O-N 3.02Å; D580-S582 PolarHBondContact O-OG 2.98Å
581	D	56	Low	73.2	Confident	82 Å²	82	54.9 Å²	54.9	44%	0.439	31%	0.312	S	S	.	.			trans	-71.3	37.3	170.5	-49.2	-56.2	0	0	0	113	Q577 D579 C583 T584 N586	Q577-D581 PolarHBondContact NE2-OD2 2.89Å; D579-D581 VanDerWaalsContact C-N 3.29Å; D579-D581 PolarHBondContact O-N 3.02Å; D579-D581 VanDerWaalsContact O-N 3.15Å; D581-C583 PolarHBondContact O-N 2.95Å; D581-T584 HydrophobicContact CB-CG2 4.27Å; D581-T584 VanDerWaalsContact CB-OG1 3.31Å; D581-T584 WeakPolarHBondContact CB-OG1 3.27Å; D581-T584 WeakPolarHBondContact O-CB 3.22Å; D581-T584 WeakPolarHBondContact O-CG2 3.39Å; D581-T584 PolarHBondContact O-N 2.84Å; D581-T584 PolarHBondContact O-OG1 3.11Å; D581-N586 PolarHBondContact O-OD1 3.37Å
582	S	43.4	Very low	73.3	Confident	90 Å²	90	53.7 Å²	53.7	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	15.7	-164.7	57	0	0	0	0	117.4	D580	D580-S582 PolarHBondContact O-N 3.02Å; D580-S582 PolarHBondContact O-OG 2.98Å
583	C	47.8	Very low	73.7	Confident	130 Å²	130	52.7 Å²	52.7	88%	0.878	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	12.7	167.7	-62.2	0	0	0	0	112.3	D581	D581-C583 PolarHBondContact O-N 2.95Å
584	T	53.4	Low	74.2	Confident	64 Å²	64	51.3 Å²	51.3	39%	0.393	29%	0.285	S	S	.	.	S	Bend	trans	-131.7	170.1	-171.4	78.2	0	0	0	0	112.1	D581 N586	D581-T584 HydrophobicContact CB-CG2 4.27Å; D581-T584 VanDerWaalsContact CB-OG1 3.31Å; D581-T584 WeakPolarHBondContact CB-OG1 3.27Å; D581-T584 WeakPolarHBondContact O-CB 3.22Å; D581-T584 WeakPolarHBondContact O-CG2 3.39Å; D581-T584 PolarHBondContact O-N 2.84Å; D581-T584 PolarHBondContact O-OG1 3.11Å; T584-N586 PolarHBondContact O-N 2.88Å; T584-N586 PolarHBondContact O-OD1 2.93Å; T584-N586 PolarHBondContact OG1-OD1 2.77Å
585	G	57.6	Low	74.6	Confident	13 Å²	13	48.5 Å²	48.5	13%	0.134	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	8.7	-175.6	0	0	0	0	0	116.2	E587 T589 G717	G585-E587 VanDerWaalsContact C-N 3.35Å; G585-T589 WeakPolarHBondContact O-CB 3.35Å; G585-T589 PolarHBondContact O-N 3.18Å; G585-T589 VanDerWaalsContact O-N 3.16Å; G585-T589 PolarHBondContact O-OG1 3.37Å; G585-G717 WeakPolarHBondContact CA-O 3.47Å; G585-G717 CarbonylContact O-C 3.57Å; G585-G717 WeakPolarHBondContact O-CA 3.18Å
586	N	68.9	Low	74.9	Confident	13 Å²	13	47 Å²	47	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-41.6	175.4	73.4	-30.6	0	0	0	110.9	M578 D579 D581 T584 T589 R590 F620	M578-N586 PolarHBondContact O-ND2 3.23Å; D579-N586 PolarHBondContact O-ND2 3.37Å; D581-N586 PolarHBondContact O-OD1 3.37Å; T584-N586 PolarHBondContact O-N 2.88Å; T584-N586 PolarHBondContact O-OD1 2.93Å; T584-N586 PolarHBondContact OG1-OD1 2.77Å; N586-T589 CarbonylContact O-C 3.33Å; N586-T589 WeakPolarHBondContact O-CB 3.02Å; N586-T589 PolarHBondContact O-N 3.37Å; N586-R590 PolarHBondContact O-N 3.27Å; N586-F620 HydrophobicContact CB-CE2 3.93Å; N586-F620 HydrophobicContact CB-CZ 4.43Å; N586-F620 WeakPolarHBondContact O-CE2 3.37Å
587	E	78.5	Confident	75.2	Confident	82 Å²	82	46.7 Å²	46.7	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-68.7	-47.3	-177.7	178.9	59.5	-176.7	0	0	112.7	G585 T589 R590 A591	G585-E587 VanDerWaalsContact C-N 3.35Å; E587-T589 PolarHBondContact O-N 3.19Å; E587-R590 VanDerWaalsContact CD-NH2 3.25Å; E587-R590 WeakPolarHBondContact O-CB 3.49Å; E587-R590 PolarHBondContact O-N 3.16Å; E587-R590 VanDerWaalsContact O-N 3.12Å; E587-R590 IonicContact OE1-CZ 3.3Å; E587-R590 IonicContact OE1-NE 2.74Å; E587-R590 IonicContact OE1-NH2 2.93Å; E587-R590 PolarHBondContact OE1-NH2 3.1Å; E587-R590 IonicContact OE2-CZ 3.09Å; E587-R590 IonicContact OE2-NE 2.66Å; E587-R590 PolarHBondContact OE2-NE 2.88Å; E587-R590 IonicContact OE2-NH2 2.68Å; E587-R590 PolarHBondContact OE2-NH2 2.86Å; E587-A591 WeakPolarHBondContact O-CB 3.48Å; E587-A591 PolarHBondContact O-N 3.26Å
588	D	79.9	Confident	75.5	Confident	80 Å²	80	48.1 Å²	48.1	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-55.7	-37.2	172	-81.5	-22.1	0	0	0	111.3	F592	D588-F592 WeakPolarHBondContact O-CB 3.46Å; D588-F592 PolarHBondContact O-N 3.03Å
589	T	82.5	Confident	75.9	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.092	31%	0.31	C	S	.	.	H	α-helix	trans	-70.6	-41	177.8	-59.3	0	0	0	0	111.6	G585 N586 E587 F592 L593 G717 C718 L817	G585-T589 WeakPolarHBondContact O-CB 3.35Å; G585-T589 PolarHBondContact O-N 3.18Å; G585-T589 VanDerWaalsContact O-N 3.16Å; G585-T589 PolarHBondContact O-OG1 3.37Å; N586-T589 CarbonylContact O-C 3.33Å; N586-T589 WeakPolarHBondContact O-CB 3.02Å; N586-T589 PolarHBondContact O-N 3.37Å; E587-T589 PolarHBondContact O-N 3.19Å; T589-F592 PolarHBondContact O-N 3.03Å; T589-L593 VanDerWaalsContact O-CB 3.28Å; T589-L593 WeakPolarHBondContact O-CB 3.32Å; T589-L593 PolarHBondContact O-N 3.46Å; T589-G717 WeakPolarHBondContact OG1-CA 3.21Å; T589-C718 PolarHBondContact OG1-N 3.06Å; T589-L817 HydrophobicContact CG2-CB 4.01Å; T589-L817 HydrophobicContact CG2-CD2 3.59Å; T589-L817 HydrophobicContact CG2-CG 4.39Å
590	R	87.5	Confident	76.6	Confident	32 Å²	32	54.6 Å²	54.6	12%	0.121	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-49.6	173.6	-166.1	176.1	67.5	141.4	11.5	110.5	D579 N586 E587 F592 L593 L594 D618 H619 F620 V622	D579-R590 VanDerWaalsContact OD1-CD 3.24Å; D579-R590 WeakPolarHBondContact OD1-CD 3.29Å; D579-R590 IonicContact OD1-CZ 3.43Å; D579-R590 IonicContact OD1-NE 3.15Å; D579-R590 PolarHBondContact OD1-NE 3.24Å; D579-R590 IonicContact OD1-NH1 3.58Å; D579-R590 PolarHBondContact OD1-NH1 3.22Å; N586-R590 PolarHBondContact O-N 3.27Å; E587-R590 VanDerWaalsContact CD-NH2 3.25Å; E587-R590 WeakPolarHBondContact O-CB 3.49Å; E587-R590 PolarHBondContact O-N 3.16Å; E587-R590 VanDerWaalsContact O-N 3.12Å; E587-R590 IonicContact OE1-CZ 3.3Å; E587-R590 IonicContact OE1-NE 2.74Å; E587-R590 IonicContact OE1-NH2 2.93Å; E587-R590 PolarHBondContact OE1-NH2 3.1Å; E587-R590 IonicContact OE2-CZ 3.09Å; E587-R590 IonicContact OE2-NE 2.66Å; E587-R590 PolarHBondContact OE2-NE 2.88Å; E587-R590 IonicContact OE2-NH2 2.68Å; E587-R590 PolarHBondContact OE2-NH2 2.86Å; R590-F592 PolarHBondContact O-N 3.49Å; R590-L593 PolarHBondContact O-N 3.36Å; R590-L594 HydrophobicContact CG-CD1 4.02Å; R590-L594 HydrophobicContact CG-CG 4.46Å; R590-L594 WeakPolarHBondContact O-CB 3.38Å; R590-L594 WeakPolarHBondContact O-CG 3.5Å; R590-L594 PolarHBondContact O-N 2.98Å; R590-D618 PolarHBondContact NH1-O 2.99Å; R590-H619 PolarHBondContact NH1-CD2 2.78Å; R590-H619 PolarHBondContact NH1-NE2 2.97Å; R590-F620 HydrophobicContact CB-CD2 4.38Å; R590-F620 HydrophobicContact CB-CE2 3.63Å; R590-F620 HydrophobicContact CB-CZ 3.75Å; R590-F620 HydrophobicContact CG-CD2 4.28Å; R590-F620 HydrophobicContact CG-CE2 3.99Å; R590-F620 HydrophobicContact CG-CZ 4.19Å; R590-V622 HydrophobicContact CG-CG2 4.1Å
591	A	86.4	Confident	78.2	Confident	51 Å²	51	58.6 Å²	58.6	42%	0.421	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-44.6	177.4	0	0	0	0	0	111.8	E587 A595	E587-A591 WeakPolarHBondContact O-CB 3.48Å; E587-A591 PolarHBondContact O-N 3.26Å; A591-A595 WeakPolarHBondContact O-CB 3.33Å; A591-A595 PolarHBondContact O-N 2.73Å
592	F	87.8	Confident	79.8	Confident	21 Å²	21	56.2 Å²	56.2	9%	0.092	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-51.7	173	167.7	-103.9	0	0	0	111.8	D588 T589 R590 A595 Q596 W650 P715 P716 L817	D588-F592 WeakPolarHBondContact O-CB 3.46Å; D588-F592 PolarHBondContact O-N 3.03Å; T589-F592 PolarHBondContact O-N 3.03Å; R590-F592 PolarHBondContact O-N 3.49Å; F592-A595 PolarHBondContact O-N 2.97Å; F592-Q596 HydrophobicContact CD2-CG 4.11Å; F592-Q596 HydrophobicContact CE1-CG 4.18Å; F592-Q596 HydrophobicContact CE2-CG 3.6Å; F592-Q596 HydrophobicContact CZ-CG 3.64Å; F592-Q596 WeakPolarHBondContact O-CG 3.49Å; F592-Q596 PolarHBondContact O-N 3.48Å; F592-W650 HydrophobicContact CE2-CB 3.91Å; F592-W650 HydrophobicContact CZ-CB 4.41Å; F592-W650 HydrophobicContact CZ-CE3 4.07Å; F592-P715 HydrophobicContact CD1-CB 3.71Å; F592-P715 HydrophobicContact CD1-CG 4.44Å; F592-P715 HydrophobicContact CD2-CB 4.39Å; F592-P715 HydrophobicContact CE1-CB 3.54Å; F592-P715 HydrophobicContact CE1-CG 3.88Å; F592-P715 HydrophobicContact CE2-CB 4.25Å; F592-P715 HydrophobicContact CG-CB 4.15Å; F592-P715 HydrophobicContact CZ-CB 3.83Å; F592-P715 HydrophobicContact CZ-CG 4.2Å; F592-P716 HydrophobicContact CD2-CG 4.36Å; F592-L817 HydrophobicContact CD1-CD2 4.48Å
593	L	90.7	Very high	82	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-52	-177.5	178.3	61.3	0	0	0	111.6	T589 R590 A595 Q596 L597 V622 F627 L773	T589-L593 VanDerWaalsContact O-CB 3.28Å; T589-L593 WeakPolarHBondContact O-CB 3.32Å; T589-L593 PolarHBondContact O-N 3.46Å; R590-L593 PolarHBondContact O-N 3.36Å; L593-A595 VanDerWaalsContact C-N 3.32Å; L593-A595 PolarHBondContact O-N 3.41Å; L593-Q596 PolarHBondContact O-N 3.37Å; L593-L597 HydrophobicContact CD1-CD1 3.86Å; L593-L597 HydrophobicContact CD1-CG 4.43Å; L593-L597 HydrophobicContact CG-CD1 3.89Å; L593-L597 WeakPolarHBondContact O-CD1 3.5Å; L593-L597 VanDerWaalsContact O-CG 3.25Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.27Å; L593-V622 HydrophobicContact CD2-CB 4.16Å; L593-V622 HydrophobicContact CD2-CG1 3.88Å; L593-V622 HydrophobicContact CD2-CG2 4.33Å; L593-F627 HydrophobicContact CD1-CD2 4.26Å; L593-F627 HydrophobicContact CD1-CE2 4.29Å; L593-F627 HydrophobicContact CD1-CG 4.37Å; L593-F627 HydrophobicContact CD1-CZ 4.45Å; L593-F627 HydrophobicContact CD2-CD2 3.67Å; L593-F627 HydrophobicContact CD2-CE2 3.79Å; L593-F627 HydrophobicContact CD2-CG 4.44Å; L593-F627 HydrophobicContact CG-CE2 4.45Å; L593-L773 HydrophobicContact CD1-CD1 4.15Å; L593-L773 HydrophobicContact CD1-CD2 3.66Å
594	L	91.5	Very high	84.2	Confident	25 Å²	25	51 Å²	51	13%	0.131	27%	0.27	C	S	.	.	H	α-helix	trans	-65	-34	178.5	-64.6	-179.2	0	0	0	112.1	F554 R590 L597 T598 I616 V622	F554-L594 HydrophobicContact CD1-CD2 4.48Å; F554-L594 HydrophobicContact CD2-CD2 3.9Å; F554-L594 HydrophobicContact CE1-CD2 4.36Å; F554-L594 HydrophobicContact CE2-CB 3.9Å; F554-L594 HydrophobicContact CE2-CD2 3.79Å; F554-L594 HydrophobicContact CE2-CG 4.33Å; F554-L594 HydrophobicContact CG-CD2 4.26Å; F554-L594 HydrophobicContact CZ-CB 4.34Å; F554-L594 HydrophobicContact CZ-CD2 4.03Å; F554-L594 WeakPolarHBondContact CZ-O 3.35Å; R590-L594 HydrophobicContact CG-CD1 4.02Å; R590-L594 HydrophobicContact CG-CG 4.46Å; R590-L594 WeakPolarHBondContact O-CB 3.38Å; R590-L594 WeakPolarHBondContact O-CG 3.5Å; R590-L594 PolarHBondContact O-N 2.98Å; L594-L597 PolarHBondContact O-N 3.46Å; L594-T598 VanDerWaalsContact O-CB 3.27Å; L594-T598 WeakPolarHBondContact O-CB 3.34Å; L594-T598 PolarHBondContact O-N 2.84Å; L594-T598 PolarHBondContact O-OG1 2.88Å; L594-I616 HydrophobicContact CD2-CG2 3.94Å; L594-V622 HydrophobicContact CD2-CG1 3.85Å
595	A	89.6	Confident	86.1	Confident	46 Å²	46	48.8 Å²	48.8	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-43.9	173.7	0	0	0	0	0	112.3	A591 F592 L593 T598 N599	A591-A595 WeakPolarHBondContact O-CB 3.33Å; A591-A595 PolarHBondContact O-N 2.73Å; F592-A595 PolarHBondContact O-N 2.97Å; L593-A595 VanDerWaalsContact C-N 3.32Å; L593-A595 PolarHBondContact O-N 3.41Å; A595-T598 PolarHBondContact O-N 3.28Å; A595-N599 WeakPolarHBondContact O-CB 3.46Å; A595-N599 PolarHBondContact O-N 3.3Å; A595-N599 PolarHBondContact O-ND2 3.31Å
596	Q	90.2	Very high	87.8	Confident	25 Å²	25	52.3 Å²	52.3	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-60.1	-48.6	174	-63.8	-68.5	-61	0	0	110.6	F592 L593 T598 N599 H600 V648 T649	F592-Q596 HydrophobicContact CD2-CG 4.11Å; F592-Q596 HydrophobicContact CE1-CG 4.18Å; F592-Q596 HydrophobicContact CE2-CG 3.6Å; F592-Q596 HydrophobicContact CZ-CG 3.64Å; F592-Q596 WeakPolarHBondContact O-CG 3.49Å; F592-Q596 PolarHBondContact O-N 3.48Å; L593-Q596 PolarHBondContact O-N 3.37Å; Q596-T598 VanDerWaalsContact C-N 3.33Å; Q596-T598 PolarHBondContact O-N 3.33Å; Q596-N599 PolarHBondContact O-N 2.9Å; Q596-H600 PolarHBondContact O-CD2 3.16Å; Q596-H600 VanDerWaalsContact O-CD2 3.23Å; Q596-H600 PolarHBondContact O-N 3.08Å; Q596-V648 HydrophobicContact CB-CG1 3.94Å; Q596-V648 HydrophobicContact CG-CB 4.26Å; Q596-V648 HydrophobicContact CG-CG1 4.03Å; Q596-T649 PolarHBondContact NE2-O 3.47Å; Q596-T649 PolarHBondContact OE1-O 3.37Å
597	L	92.1	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.2	-39.4	-179.5	-66.6	166	0	0	0	111.9	F554 L593 L594 H600 R601 V602 V605 I616 F627 L646 L773	F554-L597 HydrophobicContact CE1-CB 3.85Å; F554-L597 HydrophobicContact CZ-CB 3.79Å; L593-L597 HydrophobicContact CD1-CD1 3.86Å; L593-L597 HydrophobicContact CD1-CG 4.43Å; L593-L597 HydrophobicContact CG-CD1 3.89Å; L593-L597 WeakPolarHBondContact O-CD1 3.5Å; L593-L597 VanDerWaalsContact O-CG 3.25Å; L593-L597 WeakPolarHBondContact O-CG 3.34Å; L593-L597 PolarHBondContact O-N 3.27Å; L594-L597 PolarHBondContact O-N 3.46Å; L597-H600 CarbonylContact O-C 3.6Å; L597-H600 PolarHBondContact O-N 2.81Å; L597-R601 PolarHBondContact O-N 3.12Å; L597-V602 HydrophobicContact CD2-CB 4.18Å; L597-V602 HydrophobicContact CD2-CG1 4.11Å; L597-V602 PolarHBondContact O-N 3.42Å; L597-V605 HydrophobicContact CD2-CG1 4.35Å; L597-I616 HydrophobicContact CB-CD1 4.36Å; L597-I616 HydrophobicContact CD1-CD1 3.72Å; L597-I616 HydrophobicContact CD1-CG1 4.32Å; L597-I616 HydrophobicContact CD1-CG2 4.04Å; L597-I616 HydrophobicContact CD2-CD1 3.76Å; L597-I616 HydrophobicContact CG-CD1 4.14Å; L597-F627 HydrophobicContact CD1-CZ 4.3Å; L597-L646 HydrophobicContact CD2-CD2 3.7Å; L597-L773 HydrophobicContact CD2-CD2 4.25Å
598	T	91.4	Very high	89.6	Confident	66 Å²	66	48.1 Å²	48.1	41%	0.405	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-45.7	173.3	-58.5	0	0	0	0	112	F554 L594 A595 Q596 H600 R601	F554-T598 VanDerWaalsContact CE2-OG1 3.29Å; F554-T598 WeakPolarHBondContact CE2-OG1 3.42Å; F554-T598 VanDerWaalsContact CZ-OG1 3.32Å; F554-T598 WeakPolarHBondContact CZ-OG1 3.28Å; L594-T598 VanDerWaalsContact O-CB 3.27Å; L594-T598 WeakPolarHBondContact O-CB 3.34Å; L594-T598 PolarHBondContact O-N 2.84Å; L594-T598 PolarHBondContact O-OG1 2.88Å; A595-T598 PolarHBondContact O-N 3.28Å; Q596-T598 VanDerWaalsContact C-N 3.33Å; Q596-T598 PolarHBondContact O-N 3.33Å; T598-H600 VanDerWaalsContact C-N 3.3Å; T598-H600 PolarHBondContact O-N 3.24Å; T598-R601 WeakPolarHBondContact O-CA 3.4Å; T598-R601 PolarHBondContact O-N 2.71Å
599	N	88.9	Confident	90	Very high	121 Å²	121	44.3 Å²	44.3	65%	0.647	23%	0.226	S	C	*	.	H	α-helix	trans	-60.6	-38.7	178.2	-75.3	-35.8	0	0	0	112.2	A595 Q596 R601	A595-N599 WeakPolarHBondContact O-CB 3.46Å; A595-N599 PolarHBondContact O-N 3.3Å; A595-N599 PolarHBondContact O-ND2 3.31Å; Q596-N599 PolarHBondContact O-N 2.9Å; N599-R601 VanDerWaalsContact C-N 3.29Å
600	H	87.7	Confident	90.4	Very high	85 Å²	85	44.7 Å²	44.7	39%	0.394	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.8	173	-70.6	-79.9	0	0	0	113.9	Q596 L597 T598 V602 L646 R647	Q596-H600 PolarHBondContact O-CD2 3.16Å; Q596-H600 VanDerWaalsContact O-CD2 3.23Å; Q596-H600 PolarHBondContact O-N 3.08Å; L597-H600 CarbonylContact O-C 3.6Å; L597-H600 PolarHBondContact O-N 2.81Å; T598-H600 VanDerWaalsContact C-N 3.3Å; T598-H600 PolarHBondContact O-N 3.24Å; H600-V602 HydrophobicContact CB-CG2 3.78Å; H600-V602 PolarHBondContact O-N 3.22Å; H600-L646 HydrophobicContact CB-CD1 3.93Å; H600-L646 HydrophobicContact CB-CD2 4.13Å; H600-R647 PolarHBondContact NE2-O 3.15Å
601	R	89.8	Confident	90.4	Very high	186 Å²	186	44.8 Å²	44.8	70%	0.702	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	28	-176.1	-56.6	179	179	-101.3	-1.2	113.8	K545 L597 T598 N599	K545-R601 PolarHBondContact NZ-O 3.36Å; L597-R601 PolarHBondContact O-N 3.12Å; T598-R601 WeakPolarHBondContact O-CA 3.4Å; T598-R601 PolarHBondContact O-N 2.71Å; N599-R601 VanDerWaalsContact C-N 3.29Å
602	V	89.3	Confident	90.6	Very high	32 Å²	32	46.4 Å²	46.4	19%	0.194	23%	0.23	C	C	.	.			trans	-87.6	128.7	179.9	179.5	0	0	0	0	109	F554 L597 H600 E604 V605 I616 L646	F554-V602 WeakPolarHBondContact CE1-O 3.16Å; L597-V602 HydrophobicContact CD2-CB 4.18Å; L597-V602 HydrophobicContact CD2-CG1 4.11Å; L597-V602 PolarHBondContact O-N 3.42Å; H600-V602 HydrophobicContact CB-CG2 3.78Å; H600-V602 PolarHBondContact O-N 3.22Å; V602-E604 WeakPolarHBondContact CG1-O 3.42Å; V602-V605 HydrophobicContact CG1-CG1 3.87Å; V602-I616 HydrophobicContact CG1-CD1 3.98Å; V602-L646 HydrophobicContact CG2-CD1 4.23Å; V602-L646 HydrophobicContact CG2-CD2 4.28Å
603	S	91.1	Very high	90.8	Very high	14 Å²	14	49.2 Å²	49.2	10%	0.098	25%	0.245	C	C	.	.	S	Bend	trans	-121.3	-6.3	178.3	55.4	0	0	0	0	113.1	K545 I553 I616	K545-S603 WeakPolarHBondContact CE-OG 3.25Å; K545-S603 PolarHBondContact NZ-OG 3.28Å; I553-S603 VanDerWaalsContact O-CB 3.26Å; I553-S603 WeakPolarHBondContact O-CB 3.49Å; S603-I616 WeakPolarHBondContact O-CB 3.49Å; S603-I616 PolarHBondContact O-N 2.68Å
604	E	93.1	Very high	90.9	Very high	95 Å²	95	49.3 Å²	49.3	44%	0.444	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	140.2	-177.6	-72.3	157.7	-153.6	0	0	106.8	V602 I613 L614	V602-E604 WeakPolarHBondContact CG1-O 3.42Å; E604-I613 HydrophobicContact CB-CG2 3.82Å; E604-I613 HydrophobicContact CG-CG2 3.97Å; E604-L614 CarbonylContact C-O 3.6Å; E604-L614 WeakPolarHBondContact CA-O 3.12Å
605	V	93.3	Very high	91	Very high	18 Å²	18	49.5 Å²	49.5	11%	0.109	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.4	175.1	-68.7	0	0	0	0	110.4	L597 V602 L614 I616 I623 F627 A775	L597-V605 HydrophobicContact CD2-CG1 4.35Å; V602-V605 HydrophobicContact CG1-CG1 3.87Å; V605-L614 HydrophobicContact CG2-CB 4.1Å; V605-L614 PolarHBondContact N-O 3.32Å; V605-L614 PolarHBondContact O-N 3.48Å; V605-I616 HydrophobicContact CG1-CD1 3.86Å; V605-I616 HydrophobicContact CG1-CG1 4.4Å; V605-I616 HydrophobicContact CG2-CG1 4.48Å; V605-I623 HydrophobicContact CG2-CG2 3.98Å; V605-F627 HydrophobicContact CG1-CE1 4.28Å; V605-F627 HydrophobicContact CG2-CE1 4Å; V605-F627 HydrophobicContact CG2-CZ 4.04Å; V605-A775 HydrophobicContact CB-CB 4.41Å; V605-A775 HydrophobicContact CG2-CB 3.8Å
606	Y	92.8	Very high	91.2	Very high	87 Å²	87	47.3 Å²	47.3	34%	0.341	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	136.2	179.4	-64.5	-91.7	0	0	0	110.3	L608 E612 I613	Y606-L608 PolarHBondContact O-N 2.83Å; Y606-E612 WeakPolarHBondContact CA-O 3.46Å; Y606-I613 HydrophobicContact CD1-CG1 4.13Å; Y606-I613 HydrophobicContact CE1-CD1 4.23Å; Y606-I613 HydrophobicContact CE1-CG1 3.69Å
607	C	93.3	Very high	91.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-62.6	122.4	164.7	178.4	0	0	0	0	109.4	A609 C610 Q611 E612 L614 C777	C607-A609 PolarHBondContact O-N 3Å; C607-A609 VanDerWaalsContact O-N 3.14Å; C607-C610 WeakPolarHBondContact CB-SG 3.35Å; C607-C610 PolarHBondContact SG-SG 3.24Å; C607-Q611 VanDerWaalsContact O-CA 3.25Å; C607-Q611 WeakPolarHBondContact O-CA 3.28Å; C607-Q611 PolarHBondContact O-N 2.81Å; C607-E612 HydrophobicContact CB-CB 4.32Å; C607-E612 PolarHBondContact N-O 3.08Å; C607-L614 HydrophobicContact CB-CD1 4.27Å; C607-C777 HydrophobicContact CB-CB 4.12Å; C607-C777 PolarHBondContact SG-N 3.1Å
608	L	92.2	Very high	91.2	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.042	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.8	-178.4	177.6	63.3	0	0	0	113.4	Y606 F628 H634 R635 S636 H774 A775 L776 F823 F925	Y606-L608 PolarHBondContact O-N 2.83Å; L608-F628 HydrophobicContact CD2-CE1 4.29Å; L608-F628 HydrophobicContact CD2-CZ 3.82Å; L608-H634 HydrophobicContact CD1-CB 3.8Å; L608-H634 HydrophobicContact CD2-CB 3.66Å; L608-H634 HydrophobicContact CG-CB 4.36Å; L608-R635 WeakPolarHBondContact CD1-O 3.19Å; L608-S636 WeakPolarHBondContact O-CB 3.36Å; L608-H774 HydrophobicContact CD2-CB 4.49Å; L608-A775 WeakPolarHBondContact CB-O 3.45Å; L608-A775 PolarHBondContact N-O 2.94Å; L608-L776 HydrophobicContact CB-CD2 3.93Å; L608-F823 HydrophobicContact CD2-CE2 3.97Å; L608-F925 HydrophobicContact CD1-CD1 4.21Å; L608-F925 HydrophobicContact CD2-CB 4.24Å; L608-F925 HydrophobicContact CD2-CD1 4.45Å; L608-F925 HydrophobicContact CD2-CD2 4.47Å; L608-F925 HydrophobicContact CD2-CG 4.15Å; L608-F925 HydrophobicContact CG-CD1 3.91Å; L608-F925 HydrophobicContact CG-CE1 4.29Å; L608-F925 HydrophobicContact CG-CG 4.12Å; L608-F925 VanDerWaalsContact O-CE1 3.29Å; L608-F925 WeakPolarHBondContact O-CE1 3.22Å
609	A	90	Very high	91	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-79.2	174.1	0	0	0	0	0	111.8	C607 Q611 L776 C780 I798 F925 I931	C607-A609 PolarHBondContact O-N 3Å; C607-A609 VanDerWaalsContact O-N 3.14Å; A609-Q611 VanDerWaalsContact C-N 3.28Å; A609-Q611 PolarHBondContact O-N 2.94Å; A609-L776 HydrophobicContact CB-CD2 3.95Å; A609-C780 HydrophobicContact CB-CB 3.89Å; A609-I798 HydrophobicContact CB-CD1 3.71Å; A609-I798 HydrophobicContact CB-CG1 3.86Å; A609-F925 HydrophobicContact CB-CE1 4.48Å; A609-F925 HydrophobicContact CB-CZ 3.94Å; A609-I931 HydrophobicContact CB-CG1 4.32Å; A609-I931 WeakPolarHBondContact O-CD1 3.43Å
610	C	89	Confident	90.9	Very high	22 Å²	22	44 Å²	44	15%	0.149	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.7	-171.2	59.4	0	0	0	0	116.2	C607 E612 C780 K796	C607-C610 WeakPolarHBondContact CB-SG 3.35Å; C607-C610 PolarHBondContact SG-SG 3.24Å; C610-E612 PolarHBondContact O-N 3.25Å; C610-E612 WeakPolarHBondContact SG-CB 3.49Å; C610-C780 VanDerWaalsContact SG-SG 3.61Å; C610-K796 HydrophobicContact CB-CB 3.96Å; C610-K796 HydrophobicContact CB-CD 3.78Å; C610-K796 HydrophobicContact CB-CG 4.41Å
611	Q	89.5	Confident	91	Very high	34 Å²	34	39.9 Å²	39.9	16%	0.159	19%	0.186	C	C	.	.			trans	57.9	15	-170.4	-60	-169.6	-3.3	0	0	115.6	C607 A609 S636 E638	C607-Q611 VanDerWaalsContact O-CA 3.25Å; C607-Q611 WeakPolarHBondContact O-CA 3.28Å; C607-Q611 PolarHBondContact O-N 2.81Å; A609-Q611 VanDerWaalsContact C-N 3.28Å; A609-Q611 PolarHBondContact O-N 2.94Å; Q611-S636 PolarHBondContact NE2-OG 2.81Å; Q611-E638 PolarHBondContact NE2-O 2.97Å; Q611-E638 PolarHBondContact OE1-O 3.46Å
612	E	89.3	Confident	91.1	Very high	86 Å²	86	31 Å²	31	40%	0.402	15%	0.153	S	C	.	.			trans	-59.3	140.1	171.3	-174.7	171.4	-154.1	0	0	111.2	Y606 C607 C610 L614 C777	Y606-E612 WeakPolarHBondContact CA-O 3.46Å; C607-E612 HydrophobicContact CB-CB 4.32Å; C607-E612 PolarHBondContact N-O 3.08Å; C610-E612 PolarHBondContact O-N 3.25Å; C610-E612 WeakPolarHBondContact SG-CB 3.49Å; E612-L614 HydrophobicContact CG-CD2 4.43Å; E612-L614 PolarHBondContact O-N 2.91Å; E612-C777 PolarHBondContact OE2-SG 3.45Å
613	I	91.9	Very high	91.3	Very high	79 Å²	79	29.5 Å²	29.5	41%	0.405	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.2	179.3	-58.1	177.4	0	0	0	108.3	E604 Y606	E604-I613 HydrophobicContact CB-CG2 3.82Å; E604-I613 HydrophobicContact CG-CG2 3.97Å; Y606-I613 HydrophobicContact CD1-CG1 4.13Å; Y606-I613 HydrophobicContact CE1-CD1 4.23Å; Y606-I613 HydrophobicContact CE1-CG1 3.69Å
614	L	93.2	Very high	91.3	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.3	177.4	-57.1	177	0	0	0	109.3	E604 V605 C607 E612 I623 A775 C777	E604-L614 CarbonylContact C-O 3.6Å; E604-L614 WeakPolarHBondContact CA-O 3.12Å; V605-L614 HydrophobicContact CG2-CB 4.1Å; V605-L614 PolarHBondContact N-O 3.32Å; V605-L614 PolarHBondContact O-N 3.48Å; C607-L614 HydrophobicContact CB-CD1 4.27Å; E612-L614 HydrophobicContact CG-CD2 4.43Å; E612-L614 PolarHBondContact O-N 2.91Å; L614-I623 HydrophobicContact CB-CG2 4.47Å; L614-I623 HydrophobicContact CD1-CD1 4.25Å; L614-A775 HydrophobicContact CD1-CB 4.31Å; L614-C777 HydrophobicContact CD1-CB 3.95Å; L614-C777 HydrophobicContact CD2-CB 3.67Å; L614-C777 HydrophobicContact CG-CB 4.34Å
615	P	93.2	Very high	91.4	Very high	30 Å²	30	25.4 Å²	25.4	20%	0.195	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	143.1	174.2	27.9	-33.5	0	0	0	110.4	L555 Y617	L555-P615 HydrophobicContact CD1-CB 3.7Å; L555-P615 HydrophobicContact CD1-CG 4.48Å; L555-P615 HydrophobicContact CG-CB 4.45Å; P615-Y617 HydrophobicContact CB-CE2 4.44Å; P615-Y617 HydrophobicContact CG-CE2 3.83Å
616	I	94.3	Very high	91.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-90.4	128.5	172.6	-63.6	161.3	0	0	0	109.2	F554 L555 L594 L597 V602 S603 V605 V622 I623	F554-I616 HydrophobicContact CB-CG2 4.48Å; F554-I616 HydrophobicContact CD1-CB 3.75Å; F554-I616 HydrophobicContact CD1-CG2 3.28Å; F554-I616 HydrophobicContact CE1-CB 4.21Å; F554-I616 HydrophobicContact CE1-CD1 4.37Å; F554-I616 HydrophobicContact CE1-CG2 3.63Å; F554-I616 HydrophobicContact CG-CG2 4Å; L555-I616 PolarHBondContact N-O 3.37Å; L594-I616 HydrophobicContact CD2-CG2 3.94Å; L597-I616 HydrophobicContact CB-CD1 4.36Å; L597-I616 HydrophobicContact CD1-CD1 3.72Å; L597-I616 HydrophobicContact CD1-CG1 4.32Å; L597-I616 HydrophobicContact CD1-CG2 4.04Å; L597-I616 HydrophobicContact CD2-CD1 3.76Å; L597-I616 HydrophobicContact CG-CD1 4.14Å; V602-I616 HydrophobicContact CG1-CD1 3.98Å; S603-I616 WeakPolarHBondContact O-CB 3.49Å; S603-I616 PolarHBondContact O-N 2.68Å; V605-I616 HydrophobicContact CG1-CD1 3.86Å; V605-I616 HydrophobicContact CG1-CG1 4.4Å; V605-I616 HydrophobicContact CG2-CG1 4.48Å; I616-V622 WeakPolarHBondContact CA-O 3.41Å; I616-V622 HydrophobicContact CG2-CG1 3.81Å; I616-I623 HydrophobicContact CG1-CG2 4.09Å
617	Y	93.3	Very high	91.5	Very high	34 Å²	34	20.5 Å²	20.5	13%	0.133	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-97.9	153.9	176.7	-62.8	-82.1	0	0	0	112.1	L555 R557 P615 H619 V622	L555-Y617 HydrophobicContact CB-CD1 3.92Å; L555-Y617 HydrophobicContact CB-CE1 4.07Å; L555-Y617 CarbonylContact O-C 3.6Å; L555-Y617 WeakPolarHBondContact O-CA 3.4Å; R557-Y617 HydrophobicContact CB-CD1 3.54Å; R557-Y617 HydrophobicContact CB-CE1 4.2Å; R557-Y617 HydrophobicContact CB-CG 3.98Å; R557-Y617 HydrophobicContact CG-CD1 3.97Å; R557-Y617 HydrophobicContact CG-CE1 4.22Å; R557-Y617 HydrophobicContact CG-CG 4.35Å; R557-Y617 VanDerWaalsContact CZ-CD2 3.49Å; R557-Y617 VanDerWaalsContact NH2-CE2 3.27Å; P615-Y617 HydrophobicContact CB-CE2 4.44Å; P615-Y617 HydrophobicContact CG-CE2 3.83Å; Y617-H619 VanDerWaalsContact C-N 3.33Å; Y617-V622 PolarHBondContact N-O 3.07Å
618	D	89.1	Confident	91.6	Very high	22 Å²	22	20.5 Å²	20.5	12%	0.118	10%	0.103	C	C	.	.	S	Bend	trans	-82.1	-8.7	176.8	62.9	7.7	0	0	0	114.8	N552 F554 L555 Q556 R590	N552-D618 VanDerWaalsContact ND2-CB 3.3Å; N552-D618 WeakPolarHBondContact ND2-CB 3.33Å; N552-D618 PolarHBondContact ND2-OD2 3.39Å; F554-D618 HydrophobicContact CB-CB 4.14Å; L555-D618 PolarHBondContact O-N 3.26Å; Q556-D618 WeakPolarHBondContact CA-OD1 3.36Å; R590-D618 PolarHBondContact NH1-O 2.99Å
619	H	86.8	Confident	91.6	Very high	79 Å²	79	20.3 Å²	20.3	37%	0.366	10%	0.102	S	C	.	.	S	Bend	trans	-128.5	159	-179.7	-78	76.6	0	0	0	110.9	D579 R590 Y617 P621	D579-H619 IonicContact OD1-CD2 2.64Å; D579-H619 WeakPolarHBondContact OD2-CB 3.29Å; D579-H619 IonicContact OD2-CD2 3.54Å; D579-H619 PolarHBondContact OD2-CD2 2.86Å; D579-H619 IonicContact OD2-CG 2.68Å; R590-H619 PolarHBondContact NH1-CD2 2.78Å; R590-H619 PolarHBondContact NH1-NE2 2.97Å; Y617-H619 VanDerWaalsContact C-N 3.33Å; H619-P621 CarbonylContact O-C 3.44Å
620	F	85.9	Confident	91.7	Very high	6 Å²	6	20.3 Å²	20.3	3%	0.026	10%	0.102	C	C	.	.	S	Bend	trans	-69.8	145.4	175.7	-82	-63.2	0	0	0	111.8	Q577 D579 N586 R590 V622	Q577-F620 HydrophobicContact CB-CD1 4.02Å; Q577-F620 HydrophobicContact CB-CE1 4.44Å; Q577-F620 HydrophobicContact CB-CG 4.42Å; Q577-F620 HydrophobicContact CG-CB 4.27Å; Q577-F620 HydrophobicContact CG-CD1 3.42Å; Q577-F620 VanDerWaalsContact CG-CD1 3.42Å; Q577-F620 HydrophobicContact CG-CD2 4Å; Q577-F620 HydrophobicContact CG-CE1 3.59Å; Q577-F620 HydrophobicContact CG-CE2 4.11Å; Q577-F620 HydrophobicContact CG-CG 3.67Å; Q577-F620 HydrophobicContact CG-CZ 3.93Å; D579-F620 VanDerWaalsContact CG-N 3.32Å; D579-F620 WeakPolarHBondContact OD1-CD2 3.47Å; D579-F620 PolarHBondContact OD1-N 3.47Å; D579-F620 PolarHBondContact OD2-N 2.87Å; N586-F620 HydrophobicContact CB-CE2 3.93Å; N586-F620 HydrophobicContact CB-CZ 4.43Å; N586-F620 WeakPolarHBondContact O-CE2 3.37Å; R590-F620 HydrophobicContact CB-CD2 4.38Å; R590-F620 HydrophobicContact CB-CE2 3.63Å; R590-F620 HydrophobicContact CB-CZ 3.75Å; R590-F620 HydrophobicContact CG-CD2 4.28Å; R590-F620 HydrophobicContact CG-CE2 3.99Å; R590-F620 HydrophobicContact CG-CZ 4.19Å; F620-V622 HydrophobicContact CD1-CG2 3.77Å; F620-V622 HydrophobicContact CE1-CG2 3.99Å; F620-V622 HydrophobicContact CG-CG2 4.41Å
621	P	90	Very high	91.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	S	Bend	cis	-73.6	131.9	-9.5	29.4	-32.8	0	0	0	111.2	R557 F563 I576 H619 I623	R557-P621 PolarHBondContact NE-O 2.85Å; R557-P621 PolarHBondContact NH2-O 3.34Å; F563-P621 HydrophobicContact CE1-CG 3.9Å; F563-P621 HydrophobicContact CE2-CG 4.14Å; F563-P621 HydrophobicContact CZ-CG 3.28Å; I576-P621 HydrophobicContact CG2-CB 4.44Å; I576-P621 HydrophobicContact CG2-CG 4Å; H619-P621 CarbonylContact O-C 3.44Å; P621-I623 PolarHBondContact O-N 2.77Å; P621-I623 VanDerWaalsContact O-N 3.11Å
622	V	91.6	Very high	91.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	-65.9	-18.9	-168.6	174.5	0	0	0	0	113.3	R590 L593 L594 I616 Y617 F620 F627	R590-V622 HydrophobicContact CG-CG2 4.1Å; L593-V622 HydrophobicContact CD2-CB 4.16Å; L593-V622 HydrophobicContact CD2-CG1 3.88Å; L593-V622 HydrophobicContact CD2-CG2 4.33Å; L594-V622 HydrophobicContact CD2-CG1 3.85Å; I616-V622 WeakPolarHBondContact CA-O 3.41Å; I616-V622 HydrophobicContact CG2-CG1 3.81Å; Y617-V622 PolarHBondContact N-O 3.07Å; F620-V622 HydrophobicContact CD1-CG2 3.77Å; F620-V622 HydrophobicContact CE1-CG2 3.99Å; F620-V622 HydrophobicContact CG-CG2 4.41Å; V622-F627 HydrophobicContact CB-CE2 4.39Å; V622-F627 HydrophobicContact CG1-CE2 3.99Å
623	I	93.9	Very high	91.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-144	163.7	169.3	53.6	168.3	0	0	0	109.9	V605 L614 I616 P621 G625 F627 A775	V605-I623 HydrophobicContact CG2-CG2 3.98Å; L614-I623 HydrophobicContact CB-CG2 4.47Å; L614-I623 HydrophobicContact CD1-CD1 4.25Å; I616-I623 HydrophobicContact CG1-CG2 4.09Å; P621-I623 PolarHBondContact O-N 2.77Å; P621-I623 VanDerWaalsContact O-N 3.11Å; I623-G625 PolarHBondContact O-N 2.7Å; I623-F627 HydrophobicContact CB-CE2 4.15Å; I623-F627 HydrophobicContact CB-CZ 4.49Å; I623-F627 HydrophobicContact CD1-CD1 4.21Å; I623-F627 HydrophobicContact CD1-CD2 3.71Å; I623-F627 HydrophobicContact CD1-CE1 4.12Å; I623-F627 HydrophobicContact CD1-CE2 3.61Å; I623-F627 HydrophobicContact CD1-CG 4.02Å; I623-F627 HydrophobicContact CD1-CZ 3.83Å; I623-F627 HydrophobicContact CG1-CD2 3.82Å; I623-F627 HydrophobicContact CG1-CE2 3.55Å; I623-F627 HydrophobicContact CG1-CZ 4.14Å; I623-F627 HydrophobicContact CG2-CE2 3.58Å; I623-F627 HydrophobicContact CG2-CZ 3.57Å; I623-A775 HydrophobicContact CD1-CB 3.77Å
624	D	92.7	Very high	91.9	Very high	23 Å²	23	14.4 Å²	14.4	12%	0.123	8%	0.076	C	C	.	.	S	Bend	trans	-78.9	59.5	171.4	-66.1	-30.8	0	0	0	111.6	R557 V562 C777 M778	R557-D624 IonicContact CZ-OD1 2.7Å; R557-D624 VanDerWaalsContact CZ-OD1 3.24Å; R557-D624 IonicContact NH1-OD1 3.11Å; R557-D624 PolarHBondContact NH1-OD1 2.87Å; R557-D624 IonicContact NH2-OD1 2.76Å; R557-D624 PolarHBondContact NH2-OD1 3.26Å; V562-D624 VanDerWaalsContact CG1-OD1 3.29Å; V562-D624 WeakPolarHBondContact CG1-OD1 3.47Å; V562-D624 HydrophobicContact CG2-CB 4.28Å; D624-C777 WeakPolarHBondContact O-CA 3.36Å; D624-M778 HydrophobicContact CB-CE 4.13Å; D624-M778 PolarHBondContact O-N 2.85Å; D624-M778 VanDerWaalsContact O-N 3.1Å
625	G	93.3	Very high	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-153.4	-167.3	0	0	0	0	0	112.7	I623 L776 G815	I623-G625 PolarHBondContact O-N 2.7Å; G625-L776 CarbonylContact C-O 3.13Å; G625-L776 WeakPolarHBondContact CA-O 3.4Å; G625-G815 PolarHBondContact O-N 3.22Å
626	I	93.8	Very high	90.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.3	173.2	57.1	163.4	0	0	0	111.3	A775 L776 M781 L812 L813 Y818 I822	I626-A775 VanDerWaalsContact O-CA 3.29Å; I626-A775 WeakPolarHBondContact O-CA 3.49Å; I626-L776 HydrophobicContact CG1-CB 4.13Å; I626-L776 PolarHBondContact N-O 2.92Å; I626-L776 PolarHBondContact O-N 3.31Å; I626-M781 HydrophobicContact CB-SD 4.21Å; I626-M781 HydrophobicContact CD1-CG 4.48Å; I626-M781 HydrophobicContact CD1-SD 3.54Å; I626-M781 VanDerWaalsContact CD1-SD 3.54Å; I626-M781 HydrophobicContact CG1-SD 3.7Å; I626-M781 HydrophobicContact CG2-CE 4.07Å; I626-M781 HydrophobicContact CG2-SD 3.46Å; I626-M781 WeakPolarHBondContact CG2-SD 3.45Å; I626-L812 HydrophobicContact CD1-CB 4.23Å; I626-L812 HydrophobicContact CD1-CD1 3.49Å; I626-L812 VanDerWaalsContact CD1-CD1 3.49Å; I626-L812 HydrophobicContact CD1-CG 4.47Å; I626-L813 WeakPolarHBondContact CG2-O 3.47Å; I626-Y818 HydrophobicContact CD1-CD2 4.47Å; I626-I822 HydrophobicContact CD1-CD1 3.6Å
627	F	95.5	Very high	88.9	Confident	2 Å²	2	26.2 Å²	26.2	1%	0.009	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147	167.2	-77.5	-74.2	0	0	0	110.8	L593 L597 V605 V622 I623 L773 H774 A775 G816 L817 Y818	L593-F627 HydrophobicContact CD1-CD2 4.26Å; L593-F627 HydrophobicContact CD1-CE2 4.29Å; L593-F627 HydrophobicContact CD1-CG 4.37Å; L593-F627 HydrophobicContact CD1-CZ 4.45Å; L593-F627 HydrophobicContact CD2-CD2 3.67Å; L593-F627 HydrophobicContact CD2-CE2 3.79Å; L593-F627 HydrophobicContact CD2-CG 4.44Å; L593-F627 HydrophobicContact CG-CE2 4.45Å; L597-F627 HydrophobicContact CD1-CZ 4.3Å; V605-F627 HydrophobicContact CG1-CE1 4.28Å; V605-F627 HydrophobicContact CG2-CE1 4Å; V605-F627 HydrophobicContact CG2-CZ 4.04Å; V622-F627 HydrophobicContact CB-CE2 4.39Å; V622-F627 HydrophobicContact CG1-CE2 3.99Å; I623-F627 HydrophobicContact CB-CE2 4.15Å; I623-F627 HydrophobicContact CB-CZ 4.49Å; I623-F627 HydrophobicContact CD1-CD1 4.21Å; I623-F627 HydrophobicContact CD1-CD2 3.71Å; I623-F627 HydrophobicContact CD1-CE1 4.12Å; I623-F627 HydrophobicContact CD1-CE2 3.61Å; I623-F627 HydrophobicContact CD1-CG 4.02Å; I623-F627 HydrophobicContact CD1-CZ 3.83Å; I623-F627 HydrophobicContact CG1-CD2 3.82Å; I623-F627 HydrophobicContact CG1-CE2 3.55Å; I623-F627 HydrophobicContact CG1-CZ 4.14Å; I623-F627 HydrophobicContact CG2-CE2 3.58Å; I623-F627 HydrophobicContact CG2-CZ 3.57Å; F627-L773 HydrophobicContact CB-CD1 3.98Å; F627-L773 HydrophobicContact CD1-CD1 3.74Å; F627-L773 HydrophobicContact CD1-CD2 4.08Å; F627-L773 HydrophobicContact CD1-CG 3.85Å; F627-L773 HydrophobicContact CE1-CD2 4.09Å; F627-L773 HydrophobicContact CE1-CG 4.28Å; F627-L773 HydrophobicContact CG-CD1 4.15Å; F627-H774 CarbonylContact C-O 3.53Å; F627-H774 WeakPolarHBondContact CA-O 3.47Å; F627-A775 HydrophobicContact CD1-CB 4.14Å; F627-A775 HydrophobicContact CE1-CB 4.12Å; F627-G816 PolarHBondContact N-O 3.32Å; F627-L817 HydrophobicContact CB-CD1 3.45Å; F627-L817 VanDerWaalsContact CB-CD1 3.45Å; F627-L817 HydrophobicContact CG-CD1 4.46Å; F627-L817 WeakPolarHBondContact O-CA 3.45Å; F627-Y818 PolarHBondContact O-N 3.32Å
628	F	94.7	Very high	87.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158	168.9	73.3	-84.5	0	0	0	112.4	L608 L773 H774 L776 Y818 I822 F823	L608-F628 HydrophobicContact CD2-CE1 4.29Å; L608-F628 HydrophobicContact CD2-CZ 3.82Å; F628-L773 WeakPolarHBondContact O-CA 3.28Å; F628-H774 HydrophobicContact CD1-CB 3.9Å; F628-H774 HydrophobicContact CD2-CB 4.4Å; F628-H774 HydrophobicContact CE1-CB 3.41Å; F628-H774 VanDerWaalsContact CE1-CB 3.41Å; F628-H774 HydrophobicContact CE2-CB 3.98Å; F628-H774 HydrophobicContact CG-CB 4.38Å; F628-H774 HydrophobicContact CZ-CB 3.46Å; F628-H774 VanDerWaalsContact CZ-CB 3.46Å; F628-H774 AromaticContact CZ-CG 3.98Å; F628-H774 PolarHBondContact N-O 3.06Å; F628-H774 PolarHBondContact O-N 3.46Å; F628-L776 HydrophobicContact CE1-CG 4.38Å; F628-Y818 CarbonylContact C-O 3.56Å; F628-Y818 VanDerWaalsContact CA-O 3.26Å; F628-Y818 WeakPolarHBondContact CA-O 3.45Å; F628-I822 HydrophobicContact CB-CD1 4.36Å; F628-I822 HydrophobicContact CB-CG1 4.39Å; F628-I822 HydrophobicContact CB-CG2 3.83Å; F628-I822 HydrophobicContact CD1-CD1 3.44Å; F628-I822 VanDerWaalsContact CD1-CD1 3.44Å; F628-I822 HydrophobicContact CD1-CG1 3.88Å; F628-I822 HydrophobicContact CD2-CG1 4.04Å; F628-I822 HydrophobicContact CE1-CD1 3.73Å; F628-I822 HydrophobicContact CE1-CG1 4.07Å; F628-I822 HydrophobicContact CE2-CG1 4.22Å; F628-I822 HydrophobicContact CG-CD1 3.88Å; F628-I822 HydrophobicContact CG-CG1 3.85Å; F628-I822 HydrophobicContact CG-CG2 4.23Å; F628-I822 HydrophobicContact CZ-CD1 4.37Å; F628-I822 HydrophobicContact CZ-CG1 4.23Å; F628-F823 HydrophobicContact CE1-CE2 4.33Å; F628-F823 HydrophobicContact CZ-CD2 4.2Å; F628-F823 AromaticContact CZ-CE2 3.77Å; F628-F823 HydrophobicContact CZ-CE2 3.77Å
629	I	92.8	Very high	85.3	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109	-175.3	-59.6	-178.8	0	0	0	109.3	W650 P715 R771 Y772 L773 L817 Y818 Y820	I629-W650 HydrophobicContact CD1-CZ3 4.49Å; I629-W650 HydrophobicContact CG2-CH2 4.09Å; I629-W650 HydrophobicContact CG2-CZ3 4.33Å; I629-P715 HydrophobicContact CD1-CG 3.96Å; I629-R771 HydrophobicContact CG2-CB 3.27Å; I629-R771 HydrophobicContact CG2-CG 3.78Å; I629-Y772 WeakPolarHBondContact CA-O 3.29Å; I629-L773 HydrophobicContact CG1-CD1 4Å; I629-L817 HydrophobicContact CD1-CD1 4.13Å; I629-L817 HydrophobicContact CD1-CD2 4.28Å; I629-L817 HydrophobicContact CD1-CG 4.42Å; I629-L817 HydrophobicContact CG1-CD1 3.99Å; I629-Y818 PolarHBondContact N-O 2.87Å; I629-Y820 CarbonylContact O-C 3.59Å; I629-Y820 WeakPolarHBondContact O-CA 3.42Å; I629-Y820 PolarHBondContact O-N 2.75Å
630	S	92.5	Very high	83.3	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.7	178.3	-178.6	0	0	0	0	111.7	L632 H634 Y772 D821	S630-L632 WeakPolarHBondContact CB-O 3.33Å; S630-L632 PolarHBondContact OG-N 2.85Å; S630-L632 VanDerWaalsContact OG-N 3.13Å; S630-L632 PolarHBondContact OG-O 2.93Å; S630-H634 WeakPolarHBondContact CB-NE2 3.37Å; S630-H634 PolarHBondContact OG-NE2 3.22Å; S630-Y772 PolarHBondContact N-O 2.99Å; S630-Y772 PolarHBondContact O-N 3.35Å; S630-D821 PolarHBondContact OG-OD2 3.39Å
631	P	90.5	Very high	81.8	Confident	12 Å²	12	44 Å²	44	8%	0.078	22%	0.219	C	C	.	.	S	Bend	trans	-68.5	-21	166	28.7	-33.6	0	0	0	113.3	Y919 V922	P631-Y919 HydrophobicContact CB-CD1 3.68Å; P631-Y919 HydrophobicContact CB-CD2 4.05Å; P631-Y919 HydrophobicContact CB-CE1 3.47Å; P631-Y919 VanDerWaalsContact CB-CE1 3.47Å; P631-Y919 HydrophobicContact CB-CE2 3.87Å; P631-Y919 HydrophobicContact CB-CG 3.96Å; P631-Y919 HydrophobicContact CG-CD1 3.52Å; P631-Y919 HydrophobicContact CG-CD2 4.37Å; P631-Y919 HydrophobicContact CG-CE1 3.82Å; P631-Y919 HydrophobicContact CG-CG 3.82Å; P631-V922 HydrophobicContact CG-CB 4.4Å; P631-V922 HydrophobicContact CG-CG1 3.99Å; P631-V922 HydrophobicContact CG-CG2 3.88Å
632	L	89.6	Confident	80.2	Confident	50 Å²	50	53.8 Å²	53.8	26%	0.262	26%	0.262	S	S	.	.	S	Bend	trans	-103.9	147.6	176.8	-62.4	-177.3	0	0	0	111.4	S630 H634 Y772 H774 V922 L924	S630-L632 WeakPolarHBondContact CB-O 3.33Å; S630-L632 PolarHBondContact OG-N 2.85Å; S630-L632 VanDerWaalsContact OG-N 3.13Å; S630-L632 PolarHBondContact OG-O 2.93Å; L632-H634 PolarHBondContact O-CD2 3.46Å; L632-H634 PolarHBondContact O-N 3.36Å; L632-Y772 VanDerWaalsContact C-CD2 3.45Å; L632-H774 PolarHBondContact O-NE2 3.46Å; L632-V922 HydrophobicContact CB-CG1 4.15Å; L632-V922 HydrophobicContact CD1-CB 4.2Å; L632-V922 HydrophobicContact CD1-CG1 3.69Å; L632-V922 HydrophobicContact CG-CG1 3.78Å; L632-L924 HydrophobicContact CB-CD2 4.25Å; L632-L924 HydrophobicContact CD1-CD2 4.24Å
633	C	91.9	Very high	78.8	Confident	34 Å²	34	54.4 Å²	54.4	23%	0.23	27%	0.268	C	S	.	.			trans	-84.3	93.3	171.7	-171.7	0	0	0	0	108.8	Y772 H774	C633-Y772 HydrophobicContact CB-CD1 3.66Å; C633-Y772 HydrophobicContact CB-CD2 3.84Å; C633-Y772 HydrophobicContact CB-CE1 3.66Å; C633-Y772 HydrophobicContact CB-CE2 3.84Å; C633-Y772 HydrophobicContact CB-CG 3.74Å; C633-H774 WeakPolarHBondContact CA-NE2 3.21Å
634	H	91.3	Very high	77.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.289	C	S	.	.			trans	-64.7	143.1	168.8	-48.6	-99.2	0	0	0	108.8	L608 S630 L632 G645 H774 D821 K923 F925	L608-H634 HydrophobicContact CD1-CB 3.8Å; L608-H634 HydrophobicContact CD2-CB 3.66Å; L608-H634 HydrophobicContact CG-CB 4.36Å; S630-H634 WeakPolarHBondContact CB-NE2 3.37Å; S630-H634 PolarHBondContact OG-NE2 3.22Å; L632-H634 PolarHBondContact O-CD2 3.46Å; L632-H634 PolarHBondContact O-N 3.36Å; H634-G645 PolarHBondContact O-N 3.45Å; H634-H774 AromaticContact CD2-ND1 3.92Å; H634-H774 AromaticContact CD2-NE2 3.55Å; H634-H774 PolarHBondContact N-NE2 3.12Å; H634-D821 IonicContact CE1-OD2 3.94Å; H634-D821 PolarHBondContact CE1-OD2 2.94Å; H634-D821 IonicContact NE2-OD2 2.83Å; H634-D821 PolarHBondContact NE2-OD2 2.84Å; H634-D821 VanDerWaalsContact NE2-OD2 3.09Å; H634-K923 PolarHBondContact CE1-O 3.3Å; H634-K923 VanDerWaalsContact CE1-O 3.23Å; H634-K923 PolarHBondContact ND1-O 2.94Å; H634-F925 HydrophobicContact CB-CB 3.94Å; H634-F925 PolarHBondContact ND1-N 3.18Å
635	R	84.8	Confident	77.6	Confident	154 Å²	154	56 Å²	56	58%	0.581	29%	0.29	S	S	*	.			trans	-120.2	173.8	172.4	-64	176.5	-177.7	-172.9	-0.7	107.6	L608 E926	L608-R635 WeakPolarHBondContact CD1-O 3.19Å; R635-E926 WeakPolarHBondContact CB-OE1 3.24Å; R635-E926 VanDerWaalsContact O-CG 3.24Å; R635-E926 WeakPolarHBondContact O-CG 3.4Å
636	S	71.7	Confident	77.5	Confident	15 Å²	15	57.8 Å²	57.8	11%	0.105	30%	0.299	C	S	.	.			trans	-120.3	130.6	179.1	50.8	0	0	0	0	110.5	L608 Q611 E638 G643 E926	L608-S636 WeakPolarHBondContact O-CB 3.36Å; Q611-S636 PolarHBondContact NE2-OG 2.81Å; S636-E638 PolarHBondContact O-N 3.01Å; S636-G643 PolarHBondContact OG-O 3.08Å; S636-E926 WeakPolarHBondContact CA-OE1 3.3Å; S636-E926 PolarHBondContact N-OE1 3.2Å
637	N	61.9	Low	77.3	Confident	115 Å²	115	62.4 Å²	62.4	62%	0.615	32%	0.317	S	S	*	.	S	Bend	trans	-70.8	8.8	-163.8	-168.9	51.6	0	0	0	115.2	E926	N637-E926 HydrophobicContact CB-CB 4.37Å; N637-E926 HydrophobicContact CB-CG 4.16Å; N637-E926 PolarHBondContact N-OE1 3.04Å
638	E	56.8	Low	77.1	Confident	86 Å²	86	62.4 Å²	62.4	40%	0.402	32%	0.316	S	S	.	.	S	Bend	trans	-114.5	113.3	-175.6	-74.7	-179.9	107.4	0	0	112.4	Q611 S636 K796	Q611-E638 PolarHBondContact NE2-O 2.97Å; Q611-E638 PolarHBondContact OE1-O 3.46Å; S636-E638 PolarHBondContact O-N 3.01Å; E638-K796 VanDerWaalsContact CD-NZ 3.29Å; E638-K796 IonicContact OE1-NZ 3.37Å; E638-K796 PolarHBondContact OE1-NZ 2.84Å; E638-K796 VanDerWaalsContact OE1-NZ 3.11Å; E638-K796 IonicContact OE2-NZ 3.85Å; E638-K796 PolarHBondContact OE2-NZ 3.26Å
639	G	48.6	Very low	76.7	Confident	58 Å²	58	64.6 Å²	64.6	60%	0.598	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	79.5	143.3	0	0	0	0	0	120.3	R641	G639-R641 PolarHBondContact O-N 2.87Å
640	H	45.9	Very low	76.3	Confident	207 Å²	207	64.9 Å²	64.9	96%	0.958	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-12.8	151.2	-76.5	47.3	0	0	0	119.2
641	R	53.9	Low	75.4	Confident	165 Å²	165	69.8 Å²	69.8	62%	0.623	35%	0.353	S	S	*	.			trans	-79.8	140.1	174.6	-65.2	-171.5	177.8	-136.3	-1.1	110.2	G639 G643	G639-R641 PolarHBondContact O-N 2.87Å; R641-G643 PolarHBondContact O-N 2.87Å
642	K	57.8	Low	74.1	Confident	205 Å²	205	69.6 Å²	69.6	89%	0.891	35%	0.352	S	S	*	.			trans	-78.1	44.8	-175.1	-65	-168.1	174.9	-168.2	0	113.5	G644	K642-G644 PolarHBondContact O-N 2.73Å; K642-G644 VanDerWaalsContact O-N 3.1Å
643	G	60.7	Low	72.4	Confident	13 Å²	13	73.2 Å²	73.2	13%	0.134	37%	0.372	C	S	.	.			trans	-81.3	74	179.5	0	0	0	0	0	112.9	S636 R641	S636-G643 PolarHBondContact OG-O 3.08Å; R641-G643 PolarHBondContact O-N 2.87Å
644	G	76.2	Confident	70	Confident	43 Å²	43	74.1 Å²	74.1	44%	0.443	39%	0.387	S	S	.	.			trans	-118.9	164.2	172	0	0	0	0	0	112.3	K642	K642-G644 PolarHBondContact O-N 2.73Å; K642-G644 VanDerWaalsContact O-N 3.1Å
645	G	85.9	Confident	67.8	Low	13 Å²	13	77.6 Å²	77.6	13%	0.134	41%	0.405	C	S	.	.			trans	-59.8	136.1	-179.9	0	0	0	0	0	114.5	H634 R647 L773	H634-G645 PolarHBondContact O-N 3.45Å; G645-R647 PolarHBondContact O-N 3.32Å; G645-L773 CarbonylContact C-O 3.4Å; G645-L773 WeakPolarHBondContact CA-O 3.41Å
646	L	90.7	Very high	65.6	Low	37 Å²	37	75.7 Å²	75.7	19%	0.194	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.2	179.4	-173.8	67.7	0	0	0	110.5	L597 H600 V602 V648 Y772 L773	L597-L646 HydrophobicContact CD2-CD2 3.7Å; H600-L646 HydrophobicContact CB-CD1 3.93Å; H600-L646 HydrophobicContact CB-CD2 4.13Å; V602-L646 HydrophobicContact CG2-CD1 4.23Å; V602-L646 HydrophobicContact CG2-CD2 4.28Å; L646-V648 PolarHBondContact O-N 3.15Å; L646-Y772 CarbonylContact O-C 3.56Å; L646-Y772 WeakPolarHBondContact O-CA 3.3Å; L646-L773 HydrophobicContact CB-CB 4.34Å; L646-L773 PolarHBondContact N-O 3.38Å; L646-L773 PolarHBondContact O-N 3.39Å
647	R	90.7	Very high	64.1	Low	98 Å²	98	77.3 Å²	77.3	37%	0.37	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	92.2	-176.2	-169.8	-170.8	-63.3	-116.3	7.5	111.8	D436 H600 G645 C770 R771 Y772	D436-R647 IonicContact OD1-CZ 3.12Å; D436-R647 IonicContact OD1-NH1 2.7Å; D436-R647 PolarHBondContact OD1-NH1 2.8Å; D436-R647 IonicContact OD1-NH2 3.79Å; D436-R647 IonicContact OD2-CZ 3.54Å; D436-R647 IonicContact OD2-NH1 3.42Å; D436-R647 PolarHBondContact OD2-NH1 2.8Å; D436-R647 IonicContact OD2-NH2 3.51Å; D436-R647 PolarHBondContact OD2-NH2 3.19Å; H600-R647 PolarHBondContact NE2-O 3.15Å; G645-R647 PolarHBondContact O-N 3.32Å; R647-C770 WeakPolarHBondContact CG-SG 3.31Å; R647-R771 CarbonylContact C-O 3.52Å; R647-R771 WeakPolarHBondContact CA-O 3.42Å; R647-Y772 HydrophobicContact CB-CD1 4.12Å; R647-Y772 HydrophobicContact CB-CE1 4Å; R647-Y772 HydrophobicContact CG-CD1 4.42Å; R647-Y772 HydrophobicContact CG-CE1 4.04Å; R647-Y772 VanDerWaalsContact CZ-OH 3.22Å; R647-Y772 PolarHBondContact NH1-OH 3.21Å; R647-Y772 PolarHBondContact NH2-OH 3.32Å
648	V	90	Very high	62.9	Low	1 Å²	1	74.9 Å²	74.9	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	151.1	180	-67	0	0	0	0	112.3	Q596 L646 W650 C770 R771 L773	Q596-V648 HydrophobicContact CB-CG1 3.94Å; Q596-V648 HydrophobicContact CG-CB 4.26Å; Q596-V648 HydrophobicContact CG-CG1 4.03Å; L646-V648 PolarHBondContact O-N 3.15Å; V648-W650 HydrophobicContact CG2-CZ3 4.21Å; V648-C770 WeakPolarHBondContact O-CA 3.45Å; V648-R771 PolarHBondContact N-O 3.47Å; V648-R771 PolarHBondContact O-N 3.33Å; V648-R771 VanDerWaalsContact O-N 3.1Å; V648-L773 HydrophobicContact CG1-CB 3.74Å; V648-L773 HydrophobicContact CG1-CD2 4.08Å; V648-L773 HydrophobicContact CG2-CB 4.04Å
649	T	85.7	Confident	61.7	Low	47 Å²	47	74.3 Å²	74.3	29%	0.288	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134.8	-179	-66.1	0	0	0	0	112.2	Q596 R768 Q769	Q596-T649 PolarHBondContact NE2-O 3.47Å; Q596-T649 PolarHBondContact OE1-O 3.37Å; T649-R768 HydrophobicContact CG2-CB 4.26Å; T649-Q769 WeakPolarHBondContact CA-O 3.4Å
650	W	84.5	Confident	61.2	Low	9 Å²	9	74 Å²	74	3%	0.034	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	165.7	172.4	64.2	102.3	0	0	0	112.1	F592 I629 V648 I712 S713 P715 R768 Q769 R771	F592-W650 HydrophobicContact CE2-CB 3.91Å; F592-W650 HydrophobicContact CZ-CB 4.41Å; F592-W650 HydrophobicContact CZ-CE3 4.07Å; I629-W650 HydrophobicContact CD1-CZ3 4.49Å; I629-W650 HydrophobicContact CG2-CH2 4.09Å; I629-W650 HydrophobicContact CG2-CZ3 4.33Å; V648-W650 HydrophobicContact CG2-CZ3 4.21Å; W650-I712 HydrophobicContact CZ2-CG2 4.12Å; W650-S713 PolarHBondContact NE1-O 3.43Å; W650-P715 HydrophobicContact CD2-CB 4.32Å; W650-P715 HydrophobicContact CD2-CG 4.02Å; W650-P715 HydrophobicContact CE3-CG 4.15Å; W650-P715 HydrophobicContact CG-CB 4.42Å; W650-P715 HydrophobicContact CH2-CG 4.05Å; W650-P715 HydrophobicContact CZ2-CG 3.95Å; W650-P715 HydrophobicContact CZ3-CG 4.16Å; W650-R768 WeakPolarHBondContact O-CA 3.42Å; W650-Q769 HydrophobicContact CD2-CB 4.25Å; W650-Q769 HydrophobicContact CZ2-CB 4.01Å; W650-Q769 PolarHBondContact N-O 2.77Å; W650-Q769 PolarHBondContact O-N 3.17Å; W650-R771 HydrophobicContact CH2-CB 4.02Å; W650-R771 HydrophobicContact CH2-CG 3.55Å; W650-R771 HydrophobicContact CZ2-CG 4.5Å; W650-R771 HydrophobicContact CZ3-CB 4Å; W650-R771 HydrophobicContact CZ3-CG 4Å
651	H	74.3	Confident	60.7	Low	103 Å²	103	68.7 Å²	68.7	48%	0.477	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.3	174.8	47.6	89	0	0	0	110.2	N653	H651-N653 PolarHBondContact ND1-OD1 3.46Å
652	T	64.3	Low	59.9	Low	8 Å²	8	66.4 Å²	66.4	5%	0.049	36%	0.359	C	S	.	.			trans	-92.2	121	166.4	60.8	0	0	0	0	108.7	G654 S713 T767 Q769	T652-G654 PolarHBondContact O-N 2.93Å; T652-S713 WeakPolarHBondContact CG2-OG 3.38Å; T652-T767 WeakPolarHBondContact CB-O 3.46Å; T652-T767 WeakPolarHBondContact CG2-O 3.41Å; T652-T767 PolarHBondContact N-O 2.98Å; T652-T767 PolarHBondContact OG1-N 3.27Å; T652-T767 PolarHBondContact OG1-O 3.14Å; T652-T767 PolarHBondContact OG1-OG1 3.25Å; T652-Q769 HydrophobicContact CG2-CG 3.76Å
653	N	52.8	Low	58.9	Low	127 Å²	127	62.7 Å²	62.7	68%	0.679	34%	0.344	S	S	*	.			trans	-79.1	60	-176.6	-77	5.6	0	0	0	111.3	H651 I655	H651-N653 PolarHBondContact ND1-OD1 3.46Å; N653-I655 PolarHBondContact O-N 3.06Å
654	G	41.1	Very low	57.8	Low	53 Å²	53	67.1 Å²	67.1	55%	0.546	36%	0.362	S	S	.	.	S	Bend	trans	64.4	23.9	174.2	0	0	0	0	0	114.8	T652 Q656	T652-G654 PolarHBondContact O-N 2.93Å; G654-Q656 PolarHBondContact O-N 3.41Å
655	I	45.3	Very low	56.1	Low	72 Å²	72	72 Å²	72	37%	0.369	37%	0.373	S	S	.	.			trans	-66.3	83.2	173.8	-54.1	179.9	0	0	0	108.7	N653	N653-I655 PolarHBondContact O-N 3.06Å
656	Q	39.3	Very low	53.8	Low	114 Å²	114	78.7 Å²	78.7	53%	0.533	40%	0.401	S	S	.	.			trans	-66.4	133.6	165	-64.9	-171.5	-2.3	0	0	107.7	G654 Q658	G654-Q656 PolarHBondContact O-N 3.41Å; Q656-Q658 PolarHBondContact O-N 3.36Å
657	N	40.6	Very low	51.4	Low	50 Å²	50	80.8 Å²	80.8	27%	0.267	42%	0.415	S	S	.	.			trans	-65.1	96.4	175.1	-75	-64.9	0	0	0	108.9	S659 V660 P708	N657-S659 PolarHBondContact O-N 3.13Å; N657-S659 VanDerWaalsContact O-N 3.07Å; N657-V660 HydrophobicContact CB-CG2 4.15Å; N657-V660 WeakPolarHBondContact O-CB 3.46Å; N657-V660 PolarHBondContact O-N 2.93Å; N657-P708 HydrophobicContact CB-CG 3.93Å
658	Q	36.4	Very low	48.7	Very low	64 Å²	64	83.2 Å²	83.2	30%	0.299	43%	0.43	S	S	.	.	H	α-helix	trans	-59.5	-22.6	-175.1	-70.9	-170.1	-29	0	0	113.2	Q656 V660 Q661 Q662 N726 H730	Q656-Q658 PolarHBondContact O-N 3.36Å; Q658-V660 PolarHBondContact O-N 3.04Å; Q658-Q661 PolarHBondContact O-N 2.86Å; Q658-Q662 PolarHBondContact O-N 2.86Å; Q658-N726 PolarHBondContact OE1-ND2 3.13Å; Q658-H730 PolarHBondContact NE2-CD2 3.45Å; Q658-H730 VanDerWaalsContact NE2-CD2 3.28Å; Q658-H730 PolarHBondContact NE2-NE2 3.45Å
659	S	32.1	Very low	46.1	Very low	73 Å²	73	94 Å²	94	51%	0.51	47%	0.471	S	S	.	.	H	α-helix	trans	-52.5	-30.6	168.7	48.4	0	0	0	0	113.7	N657	N657-S659 PolarHBondContact O-N 3.13Å; N657-S659 VanDerWaalsContact O-N 3.07Å
660	V	37.6	Very low	43.7	Very low	53 Å²	53	95.5 Å²	95.5	32%	0.321	49%	0.488	S	S	.	.	H	α-helix	trans	-78.5	-43.3	179.9	-175.6	0	0	0	0	111.6	N657 Q658 Q664 P708	N657-V660 HydrophobicContact CB-CG2 4.15Å; N657-V660 WeakPolarHBondContact O-CB 3.46Å; N657-V660 PolarHBondContact O-N 2.93Å; Q658-V660 PolarHBondContact O-N 3.04Å; V660-Q664 WeakPolarHBondContact O-CB 3.18Å; V660-Q664 WeakPolarHBondContact O-CG 3.29Å; V660-Q664 PolarHBondContact O-N 3.25Å; V660-P708 HydrophobicContact CG2-CG 3.8Å
661	Q	34.7	Very low	41.4	Very low	94 Å²	94	102.1 Å²	102.1	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-86.2	-35.9	-173.2	-76.7	178.3	9.8	0	0	114.2	Q658 Q663 Q664 Q665	Q658-Q661 PolarHBondContact O-N 2.86Å; Q661-Q663 VanDerWaalsContact C-N 3.31Å; Q661-Q663 PolarHBondContact O-N 3.19Å; Q661-Q664 PolarHBondContact O-N 2.78Å; Q661-Q665 PolarHBondContact O-N 2.89Å
662	Q	37.1	Very low	39.4	Very low	118 Å²	118	104.4 Å²	104.4	55%	0.551	54%	0.535	S	S	*	.	H	α-helix	trans	-68.6	-30.9	179.9	-71.2	-175.5	-3.4	0	0	112.2	Q658 Q666	Q658-Q662 PolarHBondContact O-N 2.86Å; Q662-Q666 WeakPolarHBondContact O-CG 3.43Å
663	Q	36.6	Very low	38	Very low	126 Å²	126	109.9 Å²	109.9	59%	0.589	57%	0.569	S	S	*	*	H	α-helix	trans	-75.9	-35.9	170.9	-73	-172.4	-37.1	0	0	112.8	Q661 Q666 T667	Q661-Q663 VanDerWaalsContact C-N 3.31Å; Q661-Q663 PolarHBondContact O-N 3.19Å; Q663-Q666 PolarHBondContact O-N 2.85Å; Q663-T667 PolarHBondContact O-N 3.15Å; Q663-T667 PolarHBondContact O-OG1 2.92Å
664	Q	38.8	Very low	37	Very low	106 Å²	106	109.4 Å²	109.4	50%	0.495	57%	0.571	S	S	.	*	H	α-helix	trans	-70.4	-32.7	177.5	-75.5	174.6	-5.1	0	0	113.7	V660 Q661 T667 H668	V660-Q664 WeakPolarHBondContact O-CB 3.18Å; V660-Q664 WeakPolarHBondContact O-CG 3.29Å; V660-Q664 PolarHBondContact O-N 3.25Å; Q661-Q664 PolarHBondContact O-N 2.78Å; Q664-T667 PolarHBondContact O-OG1 3.27Å; Q664-T667 VanDerWaalsContact O-OG1 3.11Å; Q664-H668 PolarHBondContact O-CD2 3.47Å; Q664-H668 VanDerWaalsContact O-CD2 3.24Å; Q664-H668 PolarHBondContact O-N 2.82Å
665	Q	39	Very low	36.7	Very low	146 Å²	146	113.1 Å²	113.1	68%	0.682	58%	0.583	S	S	*	*	H	α-helix	trans	-75.5	-22.1	176.1	-71.4	-172.1	1.8	0	0	113.6	Q661	Q661-Q665 PolarHBondContact O-N 2.89Å
666	Q	38.2	Very low	36.1	Very low	153 Å²	153	115.7 Å²	115.7	72%	0.715	60%	0.602	S	S	*	*	H	α-helix	trans	-77.8	-35.9	173.3	-73.4	-177	-9.1	0	0	112.4	Q662 Q663	Q662-Q666 WeakPolarHBondContact O-CG 3.43Å; Q663-Q666 PolarHBondContact O-N 2.85Å
667	T	39.7	Very low	35.9	Very low	82 Å²	82	116.6 Å²	116.6	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-73	-38.4	179.1	51.2	0	0	0	0	113.3	Q663 Q664 R669 A670	Q663-T667 PolarHBondContact O-N 3.15Å; Q663-T667 PolarHBondContact O-OG1 2.92Å; Q664-T667 PolarHBondContact O-OG1 3.27Å; Q664-T667 VanDerWaalsContact O-OG1 3.11Å; T667-R669 PolarHBondContact O-N 2.99Å; T667-A670 PolarHBondContact O-N 3.48Å
668	H	35.5	Very low	35.7	Very low	148 Å²	148	121.5 Å²	121.5	69%	0.685	64%	0.637	S	S	*	*	G	3₁₀ helix	trans	-69	-15.8	179.2	-78.4	-60.8	0	0	0	114.7	Q664 A670	Q664-H668 PolarHBondContact O-CD2 3.47Å; Q664-H668 VanDerWaalsContact O-CD2 3.24Å; Q664-H668 PolarHBondContact O-N 2.82Å; H668-A670 VanDerWaalsContact C-N 3.35Å
669	R	33.8	Very low	35.6	Very low	228 Å²	228	124.6 Å²	124.6	86%	0.86	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-83.1	-8.9	179	-160.1	166.3	-177.5	163	0.2	113.8	T667	T667-R669 PolarHBondContact O-N 2.99Å
670	A	36.3	Very low	35.8	Very low	78 Å²	78	126.8 Å²	126.8	65%	0.645	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-95.9	-5.8	-175.6	0	0	0	0	0	115.3	T667 H668	T667-A670 PolarHBondContact O-N 3.48Å; H668-A670 VanDerWaalsContact C-N 3.35Å
671	H	36.6	Very low	35.6	Very low	148 Å²	148	130.8 Å²	130.8	69%	0.685	68%	0.681	S	S	*	*	S	Bend	trans	-107.9	3.7	-168.8	-83.3	-57.6	0	0	0	116.5
672	N	32.2	Very low	35.6	Very low	152 Å²	152	131.7 Å²	131.7	81%	0.813	70%	0.697	S	S	*	*	S	Bend	trans	-112.2	44.9	-176.2	-80.2	1	0	0	0	113.9
673	T	33.9	Very low	35.4	Very low	123 Å²	123	131 Å²	131	76%	0.755	71%	0.705	S	S	*	*	S	Bend	trans	-138.3	134.1	170.2	-39.2	0	0	0	0	110.7
674	T	33.1	Very low	35.3	Very low	117 Å²	117	133.4 Å²	133.4	72%	0.718	72%	0.721	S	S	*	*			trans	65.8	78.2	172	-43.4	0	0	0	0	116.5	T676	T674-T676 HydrophobicContact CG2-CG2 3.98Å
675	T	32.9	Very low	34.9	Very low	131 Å²	131	131.8 Å²	131.8	80%	0.804	73%	0.732	S	S	*	*			trans	-97.3	110.3	151.3	-36.4	0	0	0	0	108.6
676	T	34.4	Very low	34.6	Very low	125 Å²	125	132.2 Å²	132.2	77%	0.767	74%	0.739	S	S	*	*			trans	-106	120.3	173.6	46.3	0	0	0	0	110	T674	T674-T676 HydrophobicContact CG2-CG2 3.98Å
677	N	34.2	Very low	34	Very low	134 Å²	134	133.9 Å²	133.9	72%	0.717	75%	0.746	S	S	*	*			trans	-99.8	163.8	174.9	-77.2	-10.5	0	0	0	111.5
678	N	36	Very low	33.5	Very low	153 Å²	153	138 Å²	138	82%	0.818	76%	0.764	S	S	*	*			trans	83.4	134.8	-177.2	-47.1	-21.5	0	0	0	114.7
679	N	34.9	Very low	33	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	77%	0.768	S	S	*	*			cis	-170	171.1	-31.2	-132.3	39.3	0	0	0	108.2
680	D	35.5	Very low	32.8	Very low	119 Å²	119	131.1 Å²	131.1	64%	0.636	76%	0.763	S	S	*	*			trans	67.3	95.7	154.2	-60.1	-44.5	0	0	0	121.3
681	N	34	Very low	32.5	Very low	137 Å²	137	131.7 Å²	131.7	73%	0.733	76%	0.762	S	S	*	*				74.6	119.3	122.3	-58.1	-46.7	0	0	0	123.1
682	S	34	Very low	32.4	Very low	112 Å²	112	129.6 Å²	129.6	78%	0.783	76%	0.76	S	S	*	*				116.9	152.8	122.8	77.4	0	0	0	0	120.6
683	S	34.4	Very low	32.5	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	75%	0.753	S	S	*	*			trans	59.6	88.9	168.9	49.4	0	0	0	0	120.4
684	I	33.6	Very low	32.4	Very low	178 Å²	178	128.3 Å²	128.3	91%	0.913	75%	0.748	S	S	*	*				32.3	111.4	116.1	-54.2	168.5	0	0	0	116.7
685	G	30.8	Very low	32.2	Very low	71 Å²	71	131 Å²	131	73%	0.732	75%	0.746	S	S	*	*			trans	-173.8	85	171.2	0	0	0	0	0	117
686	N	31.9	Very low	32.1	Very low	156 Å²	156	130.6 Å²	130.6	83%	0.834	74%	0.735	S	S	*	*			trans	47.1	85	151.4	-59.4	-16.3	0	0	0	120.9
687	H	27	Very low	32	Very low	187 Å²	187	127.4 Å²	127.4	87%	0.866	72%	0.718	S	S	*	*				40.1	91.1	126.3	-171.4	-73.1	0	0	0	118.9
688	L	28.6	Very low	32	Very low	168 Å²	168	125.6 Å²	125.6	88%	0.88	71%	0.708	S	S	*	*			trans	-149.9	151.4	155.8	-120.4	137	0	0	0	112.5
689	V	25.5	Very low	31.9	Very low	124 Å²	124	120.2 Å²	120.2	75%	0.752	68%	0.679	S	S	*	*			trans	-59.8	133.8	-161.9	-179.1	0	0	0	0	116.7
690	S	29.1	Very low	31.8	Very low	109 Å²	109	119.1 Å²	119.1	76%	0.762	67%	0.67	S	S	*	*			trans	-160.7	117.2	151	-71.1	0	0	0	0	107.3
691	S	29.4	Very low	32.1	Very low	89 Å²	89	118.2 Å²	118.2	62%	0.622	66%	0.664	S	S	*	*			cis	81.7	154.8	49.9	84	0	0	0	0	114.5	N693	S691-N693 PolarHBondContact O-N 3.26Å
692	T	34.2	Very low	32.1	Very low	105 Å²	105	112.9 Å²	112.9	64%	0.644	64%	0.639	S	S	*	*			trans	76.2	-48.6	176.6	75.2	0	0	0	0	121.2	D694 Y695	T692-D694 PolarHBondContact O-N 2.76Å; T692-Y695 PolarHBondContact O-N 3.44Å
693	N	34.5	Very low	32.2	Very low	124 Å²	124	112 Å²	112	66%	0.663	63%	0.625	S	S	*	*	H	α-helix	trans	-62.5	-40.5	-163.2	-77	-34.8	0	0	0	116.7	S691 Y695 Q696	S691-N693 PolarHBondContact O-N 3.26Å; N693-Y695 VanDerWaalsContact C-N 3.29Å; N693-Y695 PolarHBondContact O-N 3.31Å; N693-Q696 PolarHBondContact O-N 3.3Å
694	D	32.3	Very low	32.4	Very low	124 Å²	124	113.2 Å²	113.2	66%	0.663	62%	0.617	S	S	*	*	H	α-helix	trans	-65	-32.7	-174.8	-60.3	-57	0	0	0	113.1	T692 Q696 S697 I698	T692-D694 PolarHBondContact O-N 2.76Å; D694-Q696 VanDerWaalsContact C-N 3.27Å; D694-Q696 PolarHBondContact O-N 3.23Å; D694-S697 PolarHBondContact O-N 3.29Å; D694-S697 VanDerWaalsContact O-N 3.1Å; D694-S697 PolarHBondContact O-OG 2.79Å; D694-I698 WeakPolarHBondContact O-CG1 3.25Å; D694-I698 PolarHBondContact O-N 3.48Å; D694-I698 VanDerWaalsContact O-N 3.08Å
695	Y	28.3	Very low	32.5	Very low	172 Å²	172	108.9 Å²	108.9	68%	0.675	60%	0.595	S	S	*	*	H	α-helix	trans	-61.3	-32.3	-177.5	-97.5	-93.1	0	0	0	113.2	T692 N693 N699	T692-Y695 PolarHBondContact O-N 3.44Å; N693-Y695 VanDerWaalsContact C-N 3.29Å; N693-Y695 PolarHBondContact O-N 3.31Å; Y695-N699 WeakPolarHBondContact O-CB 3.49Å; Y695-N699 VanDerWaalsContact O-CG 3.3Å; Y695-N699 PolarHBondContact O-N 2.95Å; Y695-N699 PolarHBondContact O-ND2 3.48Å
696	Q	31.7	Very low	32.8	Very low	123 Å²	123	110.9 Å²	110.9	58%	0.575	59%	0.589	S	S	*	*	H	α-helix	trans	-71.5	-35.2	177.2	-74.5	174.1	-59	0	0	111.6	N693 D694 E700	N693-Q696 PolarHBondContact O-N 3.3Å; D694-Q696 VanDerWaalsContact C-N 3.27Å; D694-Q696 PolarHBondContact O-N 3.23Å; Q696-E700 WeakPolarHBondContact O-CB 3.39Å; Q696-E700 PolarHBondContact O-N 3.33Å
697	S	31.5	Very low	32.9	Very low	58 Å²	58	105.8 Å²	105.8	41%	0.406	57%	0.568	S	S	.	*	H	α-helix	trans	-67.7	-41.8	174.1	78.5	0	0	0	0	112.1	D694 E700 I701	D694-S697 PolarHBondContact O-N 3.29Å; D694-S697 VanDerWaalsContact O-N 3.1Å; D694-S697 PolarHBondContact O-OG 2.79Å; S697-E700 PolarHBondContact O-N 3.12Å; S697-I701 VanDerWaalsContact O-CG1 3.3Å; S697-I701 WeakPolarHBondContact O-CG1 3.4Å; S697-I701 PolarHBondContact O-N 3.18Å
698	I	35.2	Very low	33.4	Very low	97 Å²	97	99 Å²	99	50%	0.497	54%	0.54	S	S	.	.	H	α-helix	trans	-66.7	-41.8	178	-65.6	167.4	0	0	0	110.3	D694 I701 A702	D694-I698 WeakPolarHBondContact O-CG1 3.25Å; D694-I698 PolarHBondContact O-N 3.48Å; D694-I698 VanDerWaalsContact O-N 3.08Å; I698-I701 PolarHBondContact O-N 3.31Å; I698-A702 WeakPolarHBondContact O-CB 3.35Å; I698-A702 PolarHBondContact O-N 2.91Å
699	N	34.2	Very low	34.2	Very low	39 Å²	39	93.8 Å²	93.8	21%	0.209	51%	0.513	C	S	.	.	H	α-helix	trans	-67.7	-37.5	175.1	-75.3	-20	0	0	0	112.3	Y695 A702 L703 L892	Y695-N699 WeakPolarHBondContact O-CB 3.49Å; Y695-N699 VanDerWaalsContact O-CG 3.3Å; Y695-N699 PolarHBondContact O-N 2.95Å; Y695-N699 PolarHBondContact O-ND2 3.48Å; N699-A702 PolarHBondContact O-N 3.45Å; N699-L703 VanDerWaalsContact O-CB 3.26Å; N699-L703 WeakPolarHBondContact O-CB 3.47Å; N699-L703 WeakPolarHBondContact O-CG 3.45Å; N699-L703 PolarHBondContact O-N 3.44Å; N699-L892 HydrophobicContact CB-CD1 4.4Å; N699-L892 WeakPolarHBondContact OD1-CD1 3.31Å
700	E	33.1	Very low	35.3	Very low	107 Å²	107	93.8 Å²	93.8	50%	0.5	50%	0.503	S	S	.	.	H	α-helix	trans	-60.2	-44.6	170.5	-102.8	-142.2	147.2	0	0	111.8	Q696 S697 L703 K704	Q696-E700 WeakPolarHBondContact O-CB 3.39Å; Q696-E700 PolarHBondContact O-N 3.33Å; S697-E700 PolarHBondContact O-N 3.12Å; E700-L703 PolarHBondContact O-N 3.28Å; E700-K704 VanDerWaalsContact O-CB 3.29Å; E700-K704 WeakPolarHBondContact O-CB 3.46Å; E700-K704 WeakPolarHBondContact O-CD 3.4Å; E700-K704 WeakPolarHBondContact O-CG 3.33Å; E700-K704 PolarHBondContact O-N 2.97Å; E700-K704 IonicContact OE1-NZ 3.14Å; E700-K704 PolarHBondContact OE1-NZ 3.15Å; E700-K704 VanDerWaalsContact OE1-NZ 3.14Å; E700-K704 IonicContact OE2-NZ 2.61Å; E700-K704 PolarHBondContact OE2-NZ 3.18Å
701	I	40.4	Very low	36.4	Very low	99 Å²	99	92.3 Å²	92.3	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-45.4	178.9	-69.9	165.2	0	0	0	110.2	S697 I698 L703 K704 L705	S697-I701 VanDerWaalsContact O-CG1 3.3Å; S697-I701 WeakPolarHBondContact O-CG1 3.4Å; S697-I701 PolarHBondContact O-N 3.18Å; I698-I701 PolarHBondContact O-N 3.31Å; I701-L703 PolarHBondContact O-N 2.92Å; I701-K704 PolarHBondContact O-N 3.11Å; I701-L705 HydrophobicContact CG2-CD1 3.75Å; I701-L705 HydrophobicContact CG2-CG 4.34Å; I701-L705 WeakPolarHBondContact O-CB 3.42Å; I701-L705 VanDerWaalsContact O-CG 3.24Å; I701-L705 WeakPolarHBondContact O-CG 3.41Å; I701-L705 PolarHBondContact O-N 3.34Å
702	A	33.7	Very low	37.9	Very low	26 Å²	26	89.5 Å²	89.5	22%	0.215	46%	0.464	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175.2	0	0	0	0	0	111.8	I698 N699 L705 L706 L892	I698-A702 WeakPolarHBondContact O-CB 3.35Å; I698-A702 PolarHBondContact O-N 2.91Å; N699-A702 PolarHBondContact O-N 3.45Å; A702-L705 PolarHBondContact O-N 3.41Å; A702-L706 VanDerWaalsContact O-CB 3.24Å; A702-L706 WeakPolarHBondContact O-CB 3.4Å; A702-L706 VanDerWaalsContact O-CG 3.27Å; A702-L706 WeakPolarHBondContact O-CG 3.26Å; A702-L706 PolarHBondContact O-N 3.08Å; A702-L892 HydrophobicContact CB-CD1 4.39Å
703	L	37.8	Very low	39.2	Very low	92 Å²	92	85.2 Å²	85.2	48%	0.482	44%	0.438	S	S	.	.	H	α-helix	trans	-72.6	-25.1	176.8	-69.9	168.8	0	0	0	113.2	N699 E700 I701 A707	N699-L703 VanDerWaalsContact O-CB 3.26Å; N699-L703 WeakPolarHBondContact O-CB 3.47Å; N699-L703 WeakPolarHBondContact O-CG 3.45Å; N699-L703 PolarHBondContact O-N 3.44Å; E700-L703 PolarHBondContact O-N 3.28Å; I701-L703 PolarHBondContact O-N 2.92Å; L703-A707 WeakPolarHBondContact O-CA 3.49Å; L703-A707 WeakPolarHBondContact O-CB 3.46Å; L703-A707 PolarHBondContact O-N 3.4Å
704	K	37.7	Very low	40.4	Very low	130 Å²	130	80.6 Å²	80.6	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-77.3	-30.3	170.5	-75.2	164.4	-177.8	170.5	0	112.3	E700 I701	E700-K704 VanDerWaalsContact O-CB 3.29Å; E700-K704 WeakPolarHBondContact O-CB 3.46Å; E700-K704 WeakPolarHBondContact O-CD 3.4Å; E700-K704 WeakPolarHBondContact O-CG 3.33Å; E700-K704 PolarHBondContact O-N 2.97Å; E700-K704 IonicContact OE1-NZ 3.14Å; E700-K704 PolarHBondContact OE1-NZ 3.15Å; E700-K704 VanDerWaalsContact OE1-NZ 3.14Å; E700-K704 IonicContact OE2-NZ 2.61Å; E700-K704 PolarHBondContact OE2-NZ 3.18Å; I701-K704 PolarHBondContact O-N 3.11Å
705	L	36.7	Very low	42	Very low	87 Å²	87	74.7 Å²	74.7	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-80.3	-26.5	172.9	-68.8	169.2	0	0	0	113	I701 A702 I910	I701-L705 HydrophobicContact CG2-CD1 3.75Å; I701-L705 HydrophobicContact CG2-CG 4.34Å; I701-L705 WeakPolarHBondContact O-CB 3.42Å; I701-L705 VanDerWaalsContact O-CG 3.24Å; I701-L705 WeakPolarHBondContact O-CG 3.41Å; I701-L705 PolarHBondContact O-N 3.34Å; A702-L705 PolarHBondContact O-N 3.41Å; L705-I910 HydrophobicContact CB-CD1 4.08Å; L705-I910 HydrophobicContact CD2-CD1 3.66Å; L705-I910 HydrophobicContact CG-CD1 4.5Å; L705-I910 VanDerWaalsContact O-CD1 3.22Å; L705-I910 WeakPolarHBondContact O-CD1 3.44Å
706	L	37	Very low	43.6	Very low	113 Å²	113	68.8 Å²	68.8	59%	0.592	37%	0.366	S	S	*	.	S	Bend	trans	-100.2	-0.9	175.8	-65.1	169.3	0	0	0	113.2	A702 L892	A702-L706 VanDerWaalsContact O-CB 3.24Å; A702-L706 WeakPolarHBondContact O-CB 3.4Å; A702-L706 VanDerWaalsContact O-CG 3.27Å; A702-L706 WeakPolarHBondContact O-CG 3.26Å; A702-L706 PolarHBondContact O-N 3.08Å; L706-L892 HydrophobicContact CD1-CD2 4.13Å
707	A	33.6	Very low	44.8	Very low	49 Å²	49	63.2 Å²	63.2	41%	0.405	34%	0.342	S	S	.	.	S	Bend	trans	-53.6	123.3	170.9	0	0	0	0	0	108.2	L703 L709	L703-A707 WeakPolarHBondContact O-CA 3.49Å; L703-A707 WeakPolarHBondContact O-CB 3.46Å; L703-A707 PolarHBondContact O-N 3.4Å; A707-L709 PolarHBondContact O-N 3.45Å
708	P	37.2	Very low	46.1	Very low	43 Å²	43	62 Å²	62	28%	0.279	33%	0.332	S	S	.	.			trans	-65.4	106.9	-148.9	20.2	-33.1	0	0	0	112.4	N657 V660 K710 I711	N657-P708 HydrophobicContact CB-CG 3.93Å; V660-P708 HydrophobicContact CG2-CG 3.8Å; P708-K710 PolarHBondContact O-N 3.01Å; P708-I711 HydrophobicContact CB-CD1 3.82Å; P708-I711 HydrophobicContact CB-CG1 3.98Å
709	L	44.4	Very low	46.8	Very low	60 Å²	60	58.8 Å²	58.8	31%	0.314	32%	0.316	S	S	.	.	S	Bend	trans	-66.4	72.7	174.7	-75.7	171.5	0	0	0	111	A707 I711 L908 I910 V917	A707-L709 PolarHBondContact O-N 3.45Å; L709-I711 PolarHBondContact O-N 3.22Å; L709-L908 HydrophobicContact CB-CB 4.3Å; L709-L908 HydrophobicContact CB-CD2 4.23Å; L709-L908 HydrophobicContact CB-CG 4.39Å; L709-L908 WeakPolarHBondContact CB-O 3.45Å; L709-L908 HydrophobicContact CD2-CD2 4.26Å; L709-I910 HydrophobicContact CD1-CD1 4.1Å; L709-I910 HydrophobicContact CD1-CG1 3.58Å; L709-V917 HydrophobicContact CD1-CG1 3.64Å; L709-V917 HydrophobicContact CD2-CG1 4.16Å
710	K	50.3	Low	47.3	Very low	124 Å²	124	58.7 Å²	58.7	54%	0.539	33%	0.325	S	S	.	.			trans	41.9	67.6	-178.1	-66.9	175.8	-177.2	166.3	0	112.4	P708 I712	P708-K710 PolarHBondContact O-N 3.01Å; K710-I712 PolarHBondContact O-N 3.46Å; K710-I712 VanDerWaalsContact O-N 3.1Å
711	I	52.1	Low	47.3	Very low	78 Å²	78	55.6 Å²	55.6	40%	0.4	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-48.1	121.5	161.2	-67.6	176.1	0	0	0	107.4	P708 L709 S713	P708-I711 HydrophobicContact CB-CD1 3.82Å; P708-I711 HydrophobicContact CB-CG1 3.98Å; L709-I711 PolarHBondContact O-N 3.22Å; I711-S713 PolarHBondContact O-N 3.42Å
712	I	60.7	Low	46.9	Very low	30 Å²	30	60.3 Å²	60.3	15%	0.154	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-66	125	-175.2	-61.6	174.8	0	0	0	107.7	W650 K710	W650-I712 HydrophobicContact CZ2-CG2 4.12Å; K710-I712 PolarHBondContact O-N 3.46Å; K710-I712 VanDerWaalsContact O-N 3.1Å
713	S	60.4	Low	47.3	Very low	14 Å²	14	63.9 Å²	63.9	10%	0.098	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-84.1	126.1	164.7	-53	0	0	0	0	106.1	W650 T652 I711 Q769	W650-S713 PolarHBondContact NE1-O 3.43Å; T652-S713 WeakPolarHBondContact CG2-OG 3.38Å; I711-S713 PolarHBondContact O-N 3.42Å; S713-Q769 PolarHBondContact O-OE1 2.99Å
714	P	61.1	Low	47.4	Very low	28 Å²	28	63 Å²	63	18%	0.182	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-52.8	151.3	175.5	-27.3	35.3	0	0	0	111.9	C718 L719	P714-C718 HydrophobicContact CB-CB 3.56Å; P714-L719 HydrophobicContact CB-CD2 4.04Å; P714-L719 HydrophobicContact CB-CG 4.48Å; P714-L719 HydrophobicContact CG-CD2 3.87Å
715	P	64	Low	47.3	Very low	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-54.5	164.7	166.1	-23.2	33.5	0	0	0	112	F592 I629 W650 G717 C718 T819	F592-P715 HydrophobicContact CD1-CB 3.71Å; F592-P715 HydrophobicContact CD1-CG 4.44Å; F592-P715 HydrophobicContact CD2-CB 4.39Å; F592-P715 HydrophobicContact CE1-CB 3.54Å; F592-P715 HydrophobicContact CE1-CG 3.88Å; F592-P715 HydrophobicContact CE2-CB 4.25Å; F592-P715 HydrophobicContact CG-CB 4.15Å; F592-P715 HydrophobicContact CZ-CB 3.83Å; F592-P715 HydrophobicContact CZ-CG 4.2Å; I629-P715 HydrophobicContact CD1-CG 3.96Å; W650-P715 HydrophobicContact CD2-CB 4.32Å; W650-P715 HydrophobicContact CD2-CG 4.02Å; W650-P715 HydrophobicContact CE3-CG 4.15Å; W650-P715 HydrophobicContact CG-CB 4.42Å; W650-P715 HydrophobicContact CH2-CG 4.05Å; W650-P715 HydrophobicContact CZ2-CG 3.95Å; W650-P715 HydrophobicContact CZ3-CG 4.16Å; P715-G717 PolarHBondContact O-N 3.14Å; P715-C718 WeakPolarHBondContact O-CB 3.34Å; P715-C718 PolarHBondContact O-N 3.19Å; P715-C718 VanDerWaalsContact O-N 3.13Å; P715-T819 HydrophobicContact CG-CG2 4.34Å
716	P	63.2	Low	47.2	Very low	48 Å²	48	62.1 Å²	62.1	31%	0.312	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	140.4	168.7	-26.6	35.6	0	0	0	111.8	F592 C718	F592-P716 HydrophobicContact CD2-CG 4.36Å; P716-C718 PolarHBondContact O-N 3.48Å
717	G	57	Low	47.1	Very low	6 Å²	6	59.3 Å²	59.3	6%	0.062	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-34.7	-175.3	0	0	0	0	0	116.1	G585 T589 P715 L719	G585-G717 WeakPolarHBondContact CA-O 3.47Å; G585-G717 CarbonylContact O-C 3.57Å; G585-G717 WeakPolarHBondContact O-CA 3.18Å; T589-G717 WeakPolarHBondContact OG1-CA 3.21Å; P715-G717 PolarHBondContact O-N 3.14Å; G717-L719 PolarHBondContact O-N 3.06Å; G717-L719 VanDerWaalsContact O-N 3.08Å
718	C	58.4	Low	47.3	Very low	31 Å²	31	61.6 Å²	61.6	21%	0.209	33%	0.331	C	S	.	.			trans	-70.1	-4.9	177.3	-59.7	0	0	0	0	113.2	T589 P714 P715 P716 G720 T819	T589-C718 PolarHBondContact OG1-N 3.06Å; P714-C718 HydrophobicContact CB-CB 3.56Å; P715-C718 WeakPolarHBondContact O-CB 3.34Å; P715-C718 PolarHBondContact O-N 3.19Å; P715-C718 VanDerWaalsContact O-N 3.13Å; P716-C718 PolarHBondContact O-N 3.48Å; C718-G720 PolarHBondContact O-N 3.42Å; C718-T819 HydrophobicContact CB-CG2 3.72Å
719	L	49.4	Very low	47.2	Very low	30 Å²	30	66.4 Å²	66.4	16%	0.157	35%	0.35	C	S	.	.	S	Bend	trans	-78	93.5	164.6	-62.5	177.1	0	0	0	109.6	P714 G717 Q723 Q724	P714-L719 HydrophobicContact CB-CD2 4.04Å; P714-L719 HydrophobicContact CB-CG 4.48Å; P714-L719 HydrophobicContact CG-CD2 3.87Å; G717-L719 PolarHBondContact O-N 3.06Å; G717-L719 VanDerWaalsContact O-N 3.08Å; L719-Q723 HydrophobicContact CB-CB 4.33Å; L719-Q723 HydrophobicContact CD2-CB 4.07Å; L719-Q723 VanDerWaalsContact CD2-OE1 3.24Å; L719-Q724 HydrophobicContact CB-CG 3.97Å
720	G	45.6	Very low	46.8	Very low	38 Å²	38	69 Å²	69	39%	0.392	36%	0.36	S	S	.	.			trans	-56.4	155.9	170.4	0	0	0	0	0	111.9	C718 R722 Q723	C718-G720 PolarHBondContact O-N 3.42Å; G720-R722 PolarHBondContact O-N 3.45Å; G720-Q723 PolarHBondContact O-N 2.88Å
721	P	32.3	Very low	46.1	Very low	42 Å²	42	70.3 Å²	70.3	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-52.5	-29.4	-165.4	-31.4	36.2	0	0	0	116.2	Q723 Q724 L725	P721-Q723 PolarHBondContact O-N 3.33Å; P721-Q724 PolarHBondContact O-N 2.96Å; P721-L725 PolarHBondContact O-N 3.39Å
722	R	33.3	Very low	45	Very low	197 Å²	197	74.5 Å²	74.5	74%	0.743	39%	0.393	S	S	*	.	H	α-helix	trans	-62.4	-19.6	175.2	-58.5	-173.9	83.2	-122.8	6.2	114.3	G720	G720-R722 PolarHBondContact O-N 3.45Å
723	Q	41.6	Very low	43.6	Very low	102 Å²	102	79.4 Å²	79.4	48%	0.477	42%	0.418	S	S	.	.	H	α-helix	trans	-101.2	-27.7	179.4	-63.5	-175	1.9	0	0	112.9	L719 G720 P721 S727	L719-Q723 HydrophobicContact CB-CB 4.33Å; L719-Q723 HydrophobicContact CD2-CB 4.07Å; L719-Q723 VanDerWaalsContact CD2-OE1 3.24Å; G720-Q723 PolarHBondContact O-N 2.88Å; P721-Q723 PolarHBondContact O-N 3.33Å; Q723-S727 PolarHBondContact O-OG 3.24Å
724	Q	39	Very low	42.1	Very low	74 Å²	74	85.9 Å²	85.9	35%	0.346	45%	0.452	S	S	.	.	H	α-helix	trans	-65.4	-42.2	175.1	-71.4	176	-39.1	0	0	111.6	L719 P721 N726 S727 T728	L719-Q724 HydrophobicContact CB-CG 3.97Å; P721-Q724 PolarHBondContact O-N 2.96Å; Q724-N726 VanDerWaalsContact C-N 3.33Å; Q724-N726 PolarHBondContact O-N 3.41Å; Q724-S727 WeakPolarHBondContact O-CA 3.26Å; Q724-S727 VanDerWaalsContact O-CB 3.29Å; Q724-S727 WeakPolarHBondContact O-CB 3.49Å; Q724-S727 PolarHBondContact O-N 3.31Å; Q724-T728 PolarHBondContact O-N 2.81Å; Q724-T728 PolarHBondContact O-OG1 3.48Å
725	L	35.5	Very low	40.7	Very low	101 Å²	101	91.6 Å²	91.6	53%	0.529	49%	0.486	S	S	.	.	H	α-helix	trans	-56.6	-39.8	-179.1	-82.3	162.7	0	0	0	114.2	P721 S727 T728	P721-L725 PolarHBondContact O-N 3.39Å; L725-S727 PolarHBondContact O-N 3.01Å; L725-T728 PolarHBondContact O-N 3.41Å
726	N	35.3	Very low	39.2	Very low	96 Å²	96	95.2 Å²	95.2	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-70.4	-16.3	175.9	-104.4	51.3	0	0	0	113.6	Q658 Q724	Q658-N726 PolarHBondContact OE1-ND2 3.13Å; Q724-N726 VanDerWaalsContact C-N 3.33Å; Q724-N726 PolarHBondContact O-N 3.41Å
727	S	35.3	Very low	37.9	Very low	55 Å²	55	97.6 Å²	97.6	39%	0.385	55%	0.547	S	S	.	.	H	α-helix	trans	-84.4	-32.9	178.9	-54.6	0	0	0	0	112	Q723 Q724 L725	Q723-S727 PolarHBondContact O-OG 3.24Å; Q724-S727 WeakPolarHBondContact O-CA 3.26Å; Q724-S727 VanDerWaalsContact O-CB 3.29Å; Q724-S727 WeakPolarHBondContact O-CB 3.49Å; Q724-S727 PolarHBondContact O-N 3.31Å; L725-S727 PolarHBondContact O-N 3.01Å
728	T	37.7	Very low	37	Very low	96 Å²	96	105.3 Å²	105.3	59%	0.589	59%	0.586	S	S	*	*	H	α-helix	trans	-83.1	-33.3	-172.7	-36.5	0	0	0	0	113.6	Q724 L725 H730	Q724-T728 PolarHBondContact O-N 2.81Å; Q724-T728 PolarHBondContact O-OG1 3.48Å; L725-T728 PolarHBondContact O-N 3.41Å; T728-H730 VanDerWaalsContact C-N 3.35Å; T728-H730 PolarHBondContact O-N 3.04Å
729	Q	35	Very low	35.8	Very low	144 Å²	144	108.1 Å²	108.1	67%	0.673	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-73.9	-20.6	-174.8	-69.4	-169.6	-12.2	0	0	114.4	N731	Q729-N731 PolarHBondContact O-N 3.04Å
730	H	35.1	Very low	35.2	Very low	115 Å²	115	110 Å²	110	53%	0.532	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-84.3	-3.1	-173.9	-88.1	-72.5	0	0	0	115.9	Q658 T728	Q658-H730 PolarHBondContact NE2-CD2 3.45Å; Q658-H730 VanDerWaalsContact NE2-CD2 3.28Å; Q658-H730 PolarHBondContact NE2-NE2 3.45Å; T728-H730 VanDerWaalsContact C-N 3.35Å; T728-H730 PolarHBondContact O-N 3.04Å
731	N	36	Very low	34.6	Very low	151 Å²	151	112.4 Å²	112.4	81%	0.807	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-102.1	0.9	177.5	-80.5	-6.2	0	0	0	114.6	Q729	Q729-N731 PolarHBondContact O-N 3.04Å
732	M	28.9	Very low	34.6	Very low	167 Å²	167	114 Å²	114	82%	0.823	70%	0.696	S	S	*	*	S	Bend	trans	-126.4	51.6	179.9	-73	-161.3	-74.5	0	0	113.4
733	I	30.7	Very low	34.7	Very low	133 Å²	133	109.9 Å²	109.9	68%	0.682	70%	0.698	S	S	*	*	S	Bend	trans	-134.3	139	166.2	-56.1	-179.1	0	0	0	108.6
734	N	30.3	Very low	34.7	Very low	150 Å²	150	109.9 Å²	109.9	80%	0.802	71%	0.709	S	S	*	*	S	Bend	trans	67.1	76.4	177.7	-70.9	-1.9	0	0	0	118.8
735	T	32.1	Very low	34.8	Very low	148 Å²	148	115.4 Å²	115.4	91%	0.908	73%	0.734	S	S	*	*			trans	-152.9	19.7	132.9	11.6	0	0	0	0	115	A737	T735-A737 PolarHBondContact O-N 3.13Å
736	G	32.1	Very low	34.7	Very low	76 Å²	76	114.2 Å²	114.2	78%	0.784	75%	0.747	S	S	*	*			trans	-74.6	83.1	171.3	0	0	0	0	0	112	L738	G736-L738 PolarHBondContact O-N 3.37Å
737	A	36.3	Very low	34.8	Very low	98 Å²	98	114.8 Å²	114.8	81%	0.81	77%	0.765	S	S	*	*			trans	-67.5	129.1	-179.5	0	0	0	0	0	111.9	T735 G739	T735-A737 PolarHBondContact O-N 3.13Å; A737-G739 PolarHBondContact O-N 3.18Å
738	L	37.5	Very low	34.8	Very low	168 Å²	168	116 Å²	116	88%	0.88	79%	0.786	S	S	*	*			trans	-70.2	119	175.7	-73.9	92.2	0	0	0	110.7	G736 G740	G736-L738 PolarHBondContact O-N 3.37Å; L738-G740 VanDerWaalsContact C-N 3.27Å; L738-G740 PolarHBondContact O-N 3.31Å
739	G	33.2	Very low	34.9	Very low	89 Å²	89	116.5 Å²	116.5	92%	0.918	79%	0.793	S	S	*	*			trans	-73.9	74.1	169.5	0	0	0	0	0	112.3	A737	A737-G739 PolarHBondContact O-N 3.18Å
740	G	35.7	Very low	35	Very low	71 Å²	71	116 Å²	116	73%	0.732	80%	0.795	S	S	*	*			trans	-99.5	99.6	174.4	0	0	0	0	0	112.2	L738	L738-G740 VanDerWaalsContact C-N 3.27Å; L738-G740 PolarHBondContact O-N 3.31Å
741	G	33.1	Very low	35.1	Very low	87 Å²	87	117.5 Å²	117.5	90%	0.897	81%	0.807	S	S	*	*			trans	-79.8	118.6	173.7	0	0	0	0	0	112.1
742	G	33.4	Very low	35.2	Very low	77 Å²	77	115.9 Å²	115.9	79%	0.794	81%	0.808	S	S	*	*			trans	-154.6	107.6	179.9	0	0	0	0	0	111.7
743	S	35.4	Very low	35.4	Very low	110 Å²	110	115.4 Å²	115.4	77%	0.769	81%	0.808	S	S	*	*			trans	-74.3	165.1	-169.8	47.2	0	0	0	0	115.7
744	S	41	Very low	35.6	Very low	102 Å²	102	116.6 Å²	116.6	71%	0.713	82%	0.816	S	S	*	*			trans	78.6	150.7	158.1	83.3	0	0	0	0	117.9
745	Q	40.8	Very low	35.8	Very low	189 Å²	189	115 Å²	115	88%	0.883	82%	0.817	S	S	*	*			cis	-160.8	143.7	-13.5	-119.8	169.1	45.8	0	0	111.7
746	G	34.7	Very low	35.8	Very low	76 Å²	76	115.4 Å²	115.4	78%	0.784	81%	0.812	S	S	*	*			trans	67.7	172.5	161.7	0	0	0	0	0	118.7
747	A	37.3	Very low	35.7	Very low	109 Å²	109	117.5 Å²	117.5	90%	0.901	81%	0.812	S	S	*	*			cis	179.2	119	-36.3	0	0	0	0	0	108.1
748	G	34.9	Very low	35.4	Very low	80 Å²	80	116.8 Å²	116.8	83%	0.825	80%	0.801	S	S	*	*			trans	171.5	95.2	-179.6	0	0	0	0	0	117.2
749	S	40.1	Very low	35	Very low	106 Å²	106	120 Å²	120	74%	0.741	80%	0.801	S	S	*	*			trans	-23.9	154	150	-61.8	0	0	0	0	117.3
750	N	36.8	Very low	34.7	Very low	133 Å²	133	124.5 Å²	124.5	71%	0.711	80%	0.796	S	S	*	*			cis	-165.4	165	2.8	-106	-13.7	0	0	0	110.4
751	N	36.7	Very low	34.3	Very low	148 Å²	148	125.6 Å²	125.6	79%	0.791	79%	0.792	S	S	*	*			trans	49.9	119.4	159.5	-62.9	-15.5	0	0	0	117.9
752	S	37.6	Very low	34.2	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	78%	0.78	S	S	*	*				-174.8	173.1	61	43.4	0	0	0	0	112.1	N754	S752-N754 PolarHBondContact O-N 3.43Å
753	N	33.5	Very low	34.1	Very low	156 Å²	156	129.7 Å²	129.7	83%	0.834	78%	0.78	S	S	*	*			trans	-65.1	119	-172	-55.4	-37.5	0	0	0	113.4
754	N	34.5	Very low	34.2	Very low	159 Å²	159	131.8 Å²	131.8	85%	0.85	78%	0.777	S	S	*	*			trans	178.2	110.9	140.3	-96.7	-29.6	0	0	0	112.9	S752	S752-N754 PolarHBondContact O-N 3.43Å
755	S	34.7	Very low	34.1	Very low	117 Å²	117	131.2 Å²	131.2	82%	0.818	77%	0.773	S	S	*	*			trans	173.3	115.6	137.8	35.9	0	0	0	0	110.8
756	I	32.8	Very low	34.6	Very low	156 Å²	156	125.8 Å²	125.8	80%	0.8	76%	0.756	S	S	*	*			trans	-73.3	137.2	161	-64.1	170.7	0	0	0	106.6	S758	I756-S758 PolarHBondContact O-N 3.16Å
757	P	30.3	Very low	35.7	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	74%	0.738	S	S	*	*			trans	-58.1	106.7	172.4	-24.1	34.4	0	0	0	110.1	R759	P757-R759 PolarHBondContact O-N 3.17Å; P757-R759 VanDerWaalsContact O-N 3.11Å
758	S	30.4	Very low	37.2	Very low	84 Å²	84	129.9 Å²	129.9	59%	0.587	73%	0.732	S	S	*	*			trans	-64.9	113.3	178.1	38.8	0	0	0	0	108.6	I756 F760	I756-S758 PolarHBondContact O-N 3.16Å; S758-F760 PolarHBondContact O-N 3.1Å; S758-F760 WeakPolarHBondContact OG-CE2 3.48Å
759	R	27.9	Very low	39.1	Very low	236 Å²	236	126.9 Å²	126.9	89%	0.891	70%	0.696	S	S	*	*			trans	-69.1	80.5	171.6	-66.4	-173.3	-174.8	-172.9	1.8	109.1	P757 S761	P757-R759 PolarHBondContact O-N 3.17Å; P757-R759 VanDerWaalsContact O-N 3.11Å; R759-S761 PolarHBondContact O-N 2.88Å
760	F	27.5	Very low	41.1	Very low	182 Å²	182	124.1 Å²	124.1	80%	0.798	68%	0.676	S	S	*	*			trans	-69	72	161.1	-77.5	-74.6	0	0	0	108.8	S758 T762	S758-F760 PolarHBondContact O-N 3.1Å; S758-F760 WeakPolarHBondContact OG-CE2 3.48Å; F760-T762 PolarHBondContact O-N 2.71Å; F760-T762 VanDerWaalsContact O-N 3.09Å
761	S	27.3	Very low	43.6	Very low	94 Å²	94	119.3 Å²	119.3	66%	0.657	65%	0.648	S	S	*	*			trans	-60.8	111.3	165.1	-69.9	0	0	0	0	107.8	R759 N763	R759-S761 PolarHBondContact O-N 2.88Å; S761-N763 PolarHBondContact O-N 3.27Å
762	T	31.5	Very low	46.3	Very low	104 Å²	104	114 Å²	114	64%	0.638	62%	0.618	S	S	*	*			trans	-54.6	122.1	167.7	37.2	0	0	0	0	108.4	F760 H764	F760-T762 PolarHBondContact O-N 2.71Å; F760-T762 VanDerWaalsContact O-N 3.09Å; T762-H764 VanDerWaalsContact C-N 3.25Å; T762-H764 PolarHBondContact O-CD2 3.03Å; T762-H764 PolarHBondContact O-N 3.36Å; T762-H764 PolarHBondContact OG1-CD2 3.43Å; T762-H764 VanDerWaalsContact OG1-CD2 3.25Å; T762-H764 PolarHBondContact OG1-NE2 3.48Å
763	N	31	Very low	49	Very low	147 Å²	147	108.9 Å²	108.9	79%	0.786	58%	0.581	S	S	*	*			trans	-71.9	83.1	179.6	-86.9	-34.2	0	0	0	109.9	S761 S765	S761-N763 PolarHBondContact O-N 3.27Å; N763-S765 PolarHBondContact O-N 3.17Å
764	H	37.3	Very low	52	Low	154 Å²	154	101.9 Å²	101.9	71%	0.713	54%	0.543	S	S	*	.			trans	-72.5	64	166.8	-65.8	-85.9	0	0	0	109.7	T762 S766	T762-H764 VanDerWaalsContact C-N 3.25Å; T762-H764 PolarHBondContact O-CD2 3.03Å; T762-H764 PolarHBondContact O-N 3.36Å; T762-H764 PolarHBondContact OG1-CD2 3.43Å; T762-H764 VanDerWaalsContact OG1-CD2 3.25Å; T762-H764 PolarHBondContact OG1-NE2 3.48Å; H764-S766 VanDerWaalsContact C-N 3.32Å; H764-S766 PolarHBondContact O-N 3.16Å
765	S	38.6	Very low	54.9	Low	90 Å²	90	94.5 Å²	94.5	63%	0.629	50%	0.504	S	S	*	.			trans	-72.1	84.5	177.4	45.6	0	0	0	0	110.3	N763 T767	N763-S765 PolarHBondContact O-N 3.17Å; S765-T767 VanDerWaalsContact C-N 3.3Å; S765-T767 WeakPolarHBondContact O-CG2 3.47Å; S765-T767 PolarHBondContact O-N 2.9Å
766	S	50.5	Low	57.6	Low	75 Å²	75	88.9 Å²	88.9	52%	0.524	47%	0.465	S	S	.	.			trans	-62.1	90	169.3	47.2	0	0	0	0	109.8	H764 R768	H764-S766 VanDerWaalsContact C-N 3.32Å; H764-S766 PolarHBondContact O-N 3.16Å; S766-R768 PolarHBondContact O-N 3.33Å
767	T	58.5	Low	60.5	Low	67 Å²	67	81.6 Å²	81.6	41%	0.411	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-64.5	126.3	-175	74.7	0	0	0	0	108.9	T652 S765	T652-T767 WeakPolarHBondContact CB-O 3.46Å; T652-T767 WeakPolarHBondContact CG2-O 3.41Å; T652-T767 PolarHBondContact N-O 2.98Å; T652-T767 PolarHBondContact OG1-N 3.27Å; T652-T767 PolarHBondContact OG1-O 3.14Å; T652-T767 PolarHBondContact OG1-OG1 3.25Å; S765-T767 VanDerWaalsContact C-N 3.3Å; S765-T767 WeakPolarHBondContact O-CG2 3.47Å; S765-T767 PolarHBondContact O-N 2.9Å
768	R	69.3	Low	63.2	Low	204 Å²	204	76.2 Å²	76.2	77%	0.77	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.1	170.3	-68.3	-174.6	177.9	-138.6	-2.1	108	T649 W650 S766	T649-R768 HydrophobicContact CG2-CB 4.26Å; W650-R768 WeakPolarHBondContact O-CA 3.42Å; S766-R768 PolarHBondContact O-N 3.33Å
769	Q	75	Confident	65.9	Low	17 Å²	17	75.3 Å²	75.3	8%	0.079	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	172	-70.7	-172.4	6.6	0	0	108.8	T649 W650 T652 S713	T649-Q769 WeakPolarHBondContact CA-O 3.4Å; W650-Q769 HydrophobicContact CD2-CB 4.25Å; W650-Q769 HydrophobicContact CZ2-CB 4.01Å; W650-Q769 PolarHBondContact N-O 2.77Å; W650-Q769 PolarHBondContact O-N 3.17Å; T652-Q769 HydrophobicContact CG2-CG 3.76Å; S713-Q769 PolarHBondContact O-OE1 2.99Å
770	C	81.5	Confident	68.8	Low	48 Å²	48	64.2 Å²	64.2	32%	0.324	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.6	-176.9	176.9	0	0	0	0	108.4	R647 V648	R647-C770 WeakPolarHBondContact CG-SG 3.31Å; V648-C770 WeakPolarHBondContact O-CA 3.45Å
771	R	89.7	Confident	71.6	Confident	31 Å²	31	55.5 Å²	55.5	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	176.3	-175.7	-66.5	-65.3	-179.4	-128.3	18.7	110.1	I629 R647 V648 W650 Y919	I629-R771 HydrophobicContact CG2-CB 3.27Å; I629-R771 HydrophobicContact CG2-CG 3.78Å; R647-R771 CarbonylContact C-O 3.52Å; R647-R771 WeakPolarHBondContact CA-O 3.42Å; V648-R771 PolarHBondContact N-O 3.47Å; V648-R771 PolarHBondContact O-N 3.33Å; V648-R771 VanDerWaalsContact O-N 3.1Å; W650-R771 HydrophobicContact CH2-CB 4.02Å; W650-R771 HydrophobicContact CH2-CG 3.55Å; W650-R771 HydrophobicContact CZ2-CG 4.5Å; W650-R771 HydrophobicContact CZ3-CB 4Å; W650-R771 HydrophobicContact CZ3-CG 4Å; R771-Y919 PolarHBondContact NH1-OH 3.09Å; R771-Y919 PolarHBondContact NH2-OH 3Å
772	Y	93.6	Very high	74	Confident	38 Å²	38	51.3 Å²	51.3	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.9	178.7	-59.9	-82.1	0	0	0	110.9	I629 S630 L632 C633 L646 R647 H774	I629-Y772 WeakPolarHBondContact CA-O 3.29Å; S630-Y772 PolarHBondContact N-O 2.99Å; S630-Y772 PolarHBondContact O-N 3.35Å; L632-Y772 VanDerWaalsContact C-CD2 3.45Å; C633-Y772 HydrophobicContact CB-CD1 3.66Å; C633-Y772 HydrophobicContact CB-CD2 3.84Å; C633-Y772 HydrophobicContact CB-CE1 3.66Å; C633-Y772 HydrophobicContact CB-CE2 3.84Å; C633-Y772 HydrophobicContact CB-CG 3.74Å; L646-Y772 CarbonylContact O-C 3.56Å; L646-Y772 WeakPolarHBondContact O-CA 3.3Å; R647-Y772 HydrophobicContact CB-CD1 4.12Å; R647-Y772 HydrophobicContact CB-CE1 4Å; R647-Y772 HydrophobicContact CG-CD1 4.42Å; R647-Y772 HydrophobicContact CG-CE1 4.04Å; R647-Y772 VanDerWaalsContact CZ-OH 3.22Å; R647-Y772 PolarHBondContact NH1-OH 3.21Å; R647-Y772 PolarHBondContact NH2-OH 3.32Å; Y772-H774 WeakPolarHBondContact CB-NE2 3.27Å; Y772-H774 AromaticContact CG-NE2 3.66Å; Y772-H774 PolarHBondContact O-CE1 2.75Å; Y772-H774 PolarHBondContact O-ND1 3.48Å; Y772-H774 VanDerWaalsContact O-ND1 3.08Å; Y772-H774 PolarHBondContact O-NE2 2.99Å
773	L	94.3	Very high	75.6	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.2	173.5	179.1	73.6	0	0	0	109.7	L593 L597 F627 F628 I629 G645 L646 V648 L817	L593-L773 HydrophobicContact CD1-CD1 4.15Å; L593-L773 HydrophobicContact CD1-CD2 3.66Å; L597-L773 HydrophobicContact CD2-CD2 4.25Å; F627-L773 HydrophobicContact CB-CD1 3.98Å; F627-L773 HydrophobicContact CD1-CD1 3.74Å; F627-L773 HydrophobicContact CD1-CD2 4.08Å; F627-L773 HydrophobicContact CD1-CG 3.85Å; F627-L773 HydrophobicContact CE1-CD2 4.09Å; F627-L773 HydrophobicContact CE1-CG 4.28Å; F627-L773 HydrophobicContact CG-CD1 4.15Å; F628-L773 WeakPolarHBondContact O-CA 3.28Å; I629-L773 HydrophobicContact CG1-CD1 4Å; G645-L773 CarbonylContact C-O 3.4Å; G645-L773 WeakPolarHBondContact CA-O 3.41Å; L646-L773 HydrophobicContact CB-CB 4.34Å; L646-L773 PolarHBondContact N-O 3.38Å; L646-L773 PolarHBondContact O-N 3.39Å; V648-L773 HydrophobicContact CG1-CB 3.74Å; V648-L773 HydrophobicContact CG1-CD2 4.08Å; V648-L773 HydrophobicContact CG2-CB 4.04Å; L773-L817 HydrophobicContact CD1-CD1 3.62Å
774	H	95.3	Very high	77	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.037	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	159.1	-179.9	-64.5	85.8	0	0	0	110.4	L608 F627 F628 L632 C633 H634 Y772	L608-H774 HydrophobicContact CD2-CB 4.49Å; F627-H774 CarbonylContact C-O 3.53Å; F627-H774 WeakPolarHBondContact CA-O 3.47Å; F628-H774 HydrophobicContact CD1-CB 3.9Å; F628-H774 HydrophobicContact CD2-CB 4.4Å; F628-H774 HydrophobicContact CE1-CB 3.41Å; F628-H774 VanDerWaalsContact CE1-CB 3.41Å; F628-H774 HydrophobicContact CE2-CB 3.98Å; F628-H774 HydrophobicContact CG-CB 4.38Å; F628-H774 HydrophobicContact CZ-CB 3.46Å; F628-H774 VanDerWaalsContact CZ-CB 3.46Å; F628-H774 AromaticContact CZ-CG 3.98Å; F628-H774 PolarHBondContact N-O 3.06Å; F628-H774 PolarHBondContact O-N 3.46Å; L632-H774 PolarHBondContact O-NE2 3.46Å; C633-H774 WeakPolarHBondContact CA-NE2 3.21Å; H634-H774 AromaticContact CD2-ND1 3.92Å; H634-H774 AromaticContact CD2-NE2 3.55Å; H634-H774 PolarHBondContact N-NE2 3.12Å; Y772-H774 WeakPolarHBondContact CB-NE2 3.27Å; Y772-H774 AromaticContact CG-NE2 3.66Å; Y772-H774 PolarHBondContact O-CE1 2.75Å; Y772-H774 PolarHBondContact O-ND1 3.48Å; Y772-H774 VanDerWaalsContact O-ND1 3.08Å; Y772-H774 PolarHBondContact O-NE2 2.99Å
775	A	95.1	Very high	77.7	Confident	4 Å²	4	38 Å²	38	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.9	177.2	0	0	0	0	0	111.8	V605 L608 L614 I623 I626 F627	V605-A775 HydrophobicContact CB-CB 4.41Å; V605-A775 HydrophobicContact CG2-CB 3.8Å; L608-A775 WeakPolarHBondContact CB-O 3.45Å; L608-A775 PolarHBondContact N-O 2.94Å; L614-A775 HydrophobicContact CD1-CB 4.31Å; I623-A775 HydrophobicContact CD1-CB 3.77Å; I626-A775 VanDerWaalsContact O-CA 3.29Å; I626-A775 WeakPolarHBondContact O-CA 3.49Å; F627-A775 HydrophobicContact CD1-CB 4.14Å; F627-A775 HydrophobicContact CE1-CB 4.12Å
776	L	93.4	Very high	78.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.5	164.1	-72.3	178.4	0	0	0	109.2	L608 A609 G625 I626 F628 I798 W807 I822 F823	L608-L776 HydrophobicContact CB-CD2 3.93Å; A609-L776 HydrophobicContact CB-CD2 3.95Å; G625-L776 CarbonylContact C-O 3.13Å; G625-L776 WeakPolarHBondContact CA-O 3.4Å; I626-L776 HydrophobicContact CG1-CB 4.13Å; I626-L776 PolarHBondContact N-O 2.92Å; I626-L776 PolarHBondContact O-N 3.31Å; F628-L776 HydrophobicContact CE1-CG 4.38Å; L776-I798 HydrophobicContact CD1-CD1 4.36Å; L776-I798 HydrophobicContact CD2-CD1 4.28Å; L776-W807 HydrophobicContact CD1-CH2 3.69Å; L776-W807 HydrophobicContact CD1-CZ3 3.77Å; L776-I822 HydrophobicContact CD1-CD1 3.69Å; L776-F823 HydrophobicContact CD1-CE1 4.44Å; L776-F823 HydrophobicContact CD1-CZ 3.88Å
777	C	92.3	Very high	78.5	Confident	2 Å²	2	38 Å²	38	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	159.4	173.9	76.5	0	0	0	0	111.6	C607 E612 L614 D624 N779 C780 M781	C607-C777 HydrophobicContact CB-CB 4.12Å; C607-C777 PolarHBondContact SG-N 3.1Å; E612-C777 PolarHBondContact OE2-SG 3.45Å; L614-C777 HydrophobicContact CD1-CB 3.95Å; L614-C777 HydrophobicContact CD2-CB 3.67Å; L614-C777 HydrophobicContact CG-CB 4.34Å; D624-C777 WeakPolarHBondContact O-CA 3.36Å; C777-N779 PolarHBondContact O-N 3.33Å; C777-C780 PolarHBondContact O-N 3.18Å; C777-M781 PolarHBondContact O-N 3.29Å
778	M	88.3	Confident	78	Confident	6 Å²	6	39 Å²	39	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-31.7	179.5	-69.6	-173.7	-64.2	0	0	113.7	V562 F563 L566 D624 M781 H782 V814	V562-M778 HydrophobicContact CB-CE 4.3Å; V562-M778 HydrophobicContact CG1-CE 4.07Å; V562-M778 HydrophobicContact CG2-CE 3.67Å; V562-M778 WeakPolarHBondContact O-CE 3.46Å; F563-M778 HydrophobicContact CD1-CE 3.82Å; F563-M778 HydrophobicContact CD1-SD 3.7Å; F563-M778 HydrophobicContact CE1-CE 4.21Å; F563-M778 HydrophobicContact CE1-SD 4.14Å; L566-M778 HydrophobicContact CD1-SD 4.01Å; L566-M778 HydrophobicContact CD2-CB 4.07Å; L566-M778 HydrophobicContact CD2-CG 4.2Å; L566-M778 HydrophobicContact CD2-SD 3.74Å; L566-M778 HydrophobicContact CG-SD 3.96Å; D624-M778 HydrophobicContact CB-CE 4.13Å; D624-M778 PolarHBondContact O-N 2.85Å; D624-M778 VanDerWaalsContact O-N 3.1Å; M778-M781 PolarHBondContact O-N 3.4Å; M778-H782 PolarHBondContact O-N 3.39Å; M778-H782 PolarHBondContact O-ND1 2.98Å; M778-V814 HydrophobicContact CG-CG1 3.93Å; M778-V814 HydrophobicContact CG-CG2 3.97Å; M778-V814 HydrophobicContact SD-CB 4.43Å; M778-V814 HydrophobicContact SD-CG1 3.56Å; M778-V814 VanDerWaalsContact SD-CG1 3.56Å; M778-V814 HydrophobicContact SD-CG2 3.96Å
779	N	86.2	Confident	77.1	Confident	66 Å²	66	33.2 Å²	33.2	35%	0.353	20%	0.197	S	C	.	.	H	α-helix	trans	-66.9	-52.2	-178.1	-58.7	-22.7	0	0	0	110.8	C777 M781 H782	C777-N779 PolarHBondContact O-N 3.33Å; N779-M781 PolarHBondContact O-N 2.96Å; N779-H782 PolarHBondContact O-N 3.33Å
780	C	88.9	Confident	75.8	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-18.4	176.6	-62.8	0	0	0	0	113.3	A609 C610 C777 K796 I798	A609-C780 HydrophobicContact CB-CB 3.89Å; C610-C780 VanDerWaalsContact SG-SG 3.61Å; C777-C780 PolarHBondContact O-N 3.18Å; C780-K796 PolarHBondContact SG-O 3.16Å; C780-I798 HydrophobicContact CB-CD1 4.14Å; C780-I798 HydrophobicContact CB-CG1 4.38Å
781	M	86.9	Confident	74.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-76.7	-28.9	176.3	-163.2	169.8	80.5	0	0	113.6	I626 C777 M778 N779 G809 L812 V814	I626-M781 HydrophobicContact CB-SD 4.21Å; I626-M781 HydrophobicContact CD1-CG 4.48Å; I626-M781 HydrophobicContact CD1-SD 3.54Å; I626-M781 VanDerWaalsContact CD1-SD 3.54Å; I626-M781 HydrophobicContact CG1-SD 3.7Å; I626-M781 HydrophobicContact CG2-CE 4.07Å; I626-M781 HydrophobicContact CG2-SD 3.46Å; I626-M781 WeakPolarHBondContact CG2-SD 3.45Å; C777-M781 PolarHBondContact O-N 3.29Å; M778-M781 PolarHBondContact O-N 3.4Å; N779-M781 PolarHBondContact O-N 2.96Å; M781-G809 WeakPolarHBondContact O-CA 3.47Å; M781-G809 PolarHBondContact O-N 3.16Å; M781-L812 HydrophobicContact CE-CB 4.37Å; M781-L812 WeakPolarHBondContact CE-O 3.35Å; M781-L812 HydrophobicContact SD-CB 3.77Å; M781-L812 HydrophobicContact SD-CD1 4.44Å; M781-V814 HydrophobicContact CE-CG2 3.73Å
782	H	76.6	Confident	72.2	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.023	28%	0.275	C	S	.	.	S	Bend	trans	-110.7	21.1	-171.1	-65.6	103.8	0	0	0	114.4	L566 K570 M778 N779 V784 N785	L566-H782 WeakPolarHBondContact CD2-CE1 3.25Å; K570-H782 WeakPolarHBondContact CD-NE2 3.39Å; K570-H782 WeakPolarHBondContact CE-NE2 3.24Å; K570-H782 PolarHBondContact NZ-NE2 3.01Å; M778-H782 PolarHBondContact O-N 3.39Å; M778-H782 PolarHBondContact O-ND1 2.98Å; N779-H782 PolarHBondContact O-N 3.33Å; H782-V784 PolarHBondContact O-N 3.33Å; H782-N785 PolarHBondContact O-N 3.13Å
783	S	64.6	Low	69.9	Low	11 Å²	11	52.3 Å²	52.3	8%	0.077	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-11.1	-169.5	47.3	0	0	0	0	117.1	V787 W807	S783-V787 WeakPolarHBondContact O-CG2 3.43Å; S783-W807 PolarHBondContact OG-O 3.35Å
784	V	61.2	Low	68	Low	58 Å²	58	58.6 Å²	58.6	35%	0.352	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-37.8	172.6	-178.8	0	0	0	0	112.2	H782 P806	H782-V784 PolarHBondContact O-N 3.33Å; V784-P806 HydrophobicContact CG2-CB 4.11Å; V784-P806 HydrophobicContact CG2-CG 4.06Å
785	N	52.9	Low	66.3	Low	58 Å²	58	62.6 Å²	62.6	31%	0.31	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.5	-166.7	-69.5	-38	0	0	0	113.7	P567 H782	P567-N785 HydrophobicContact CG-CB 4.3Å; H782-N785 PolarHBondContact O-N 3.13Å
786	L	52.9	Low	65	Low	54 Å²	54	65.9 Å²	65.9	28%	0.283	37%	0.374	S	S	.	.	S	Bend	trans	-87.7	-20.2	-178.4	-64.1	95.1	0	0	0	113.2	A788 T789 F795	L786-A788 PolarHBondContact O-N 3.05Å; L786-T789 CarbonylContact O-C 3.53Å; L786-T789 PolarHBondContact O-N 3.44Å; L786-T789 PolarHBondContact O-OG1 3.24Å; L786-F795 HydrophobicContact CB-CD2 4.3Å; L786-F795 HydrophobicContact CB-CE2 4.32Å; L786-F795 HydrophobicContact CD2-CD1 4.41Å; L786-F795 HydrophobicContact CD2-CD2 4.13Å; L786-F795 HydrophobicContact CD2-CE1 3.88Å; L786-F795 HydrophobicContact CD2-CE2 3.52Å; L786-F795 HydrophobicContact CD2-CZ 3.39Å
787	V	51.2	Low	64.2	Low	111 Å²	111	66.2 Å²	66.2	67%	0.673	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.4	175.3	175.1	0	0	0	0	112.1	S783	S783-V787 WeakPolarHBondContact O-CG2 3.43Å
788	A	49.3	Very low	64.1	Low	87 Å²	87	66.1 Å²	66.1	72%	0.719	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-14.2	173.2	0	0	0	0	0	113.7	L786	L786-A788 PolarHBondContact O-N 3.05Å
789	T	50	Low	64.2	Low	83 Å²	83	69.9 Å²	69.9	51%	0.509	39%	0.39	S	S	.	.	S	Bend	trans	-118	94.4	-177.1	51.8	0	0	0	0	109.4	L786 Q791	L786-T789 CarbonylContact O-C 3.53Å; L786-T789 PolarHBondContact O-N 3.44Å; L786-T789 PolarHBondContact O-OG1 3.24Å; T789-Q791 PolarHBondContact O-N 3.18Å
790	S	47.5	Very low	64.5	Low	121 Å²	121	66.7 Å²	66.7	85%	0.846	37%	0.373	S	S	*	.			trans	-70.1	51.6	-170.8	-42.5	0	0	0	0	115.3
791	Q	47.8	Very low	64.6	Low	159 Å²	159	70.9 Å²	70.9	74%	0.743	39%	0.391	S	S	*	.			trans	-129.8	136.6	176.8	-61.7	-172.9	7.2	0	0	109.4	T789	T789-Q791 PolarHBondContact O-N 3.18Å
792	V	48.4	Very low	64.8	Low	94 Å²	94	75.2 Å²	75.2	57%	0.57	41%	0.413	S	S	*	.			trans	71.7	124.6	-169.4	-172.5	0	0	0	0	113.3	D794 F795	V792-D794 HydrophobicContact CG1-CB 4.48Å; V792-F795 HydrophobicContact CB-CD2 4.22Å; V792-F795 HydrophobicContact CB-CE2 3.62Å; V792-F795 HydrophobicContact CB-CZ 3.99Å; V792-F795 HydrophobicContact CG1-CD2 4.37Å; V792-F795 HydrophobicContact CG1-CE2 4.02Å; V792-F795 HydrophobicContact CG1-CZ 4.09Å; V792-F795 HydrophobicContact CG2-CE2 4.41Å; V792-F795 HydrophobicContact CG2-CZ 4.46Å
793	N	45.7	Very low	65.6	Low	160 Å²	160	76.9 Å²	76.9	86%	0.856	43%	0.426	S	S	*	.	S	Bend	trans	-94.7	-3.7	-172.6	-67.1	-25.6	0	0	0	113.9
794	D	53.9	Low	66.8	Low	141 Å²	141	80.4 Å²	80.4	75%	0.754	45%	0.45	S	S	*	.			trans	-108.9	22.7	-163.7	-55.6	-64.9	0	0	0	114.2	V792 K796	V792-D794 HydrophobicContact CG1-CB 4.48Å; D794-K796 PolarHBondContact O-N 3.22Å
795	F	59.1	Low	68	Low	92 Å²	92	83 Å²	83	40%	0.404	46%	0.457	S	S	.	.			trans	-85.8	100.8	-173.9	-74.9	-51.9	0	0	0	114.3	L786 V792 G797	L786-F795 HydrophobicContact CB-CD2 4.3Å; L786-F795 HydrophobicContact CB-CE2 4.32Å; L786-F795 HydrophobicContact CD2-CD1 4.41Å; L786-F795 HydrophobicContact CD2-CD2 4.13Å; L786-F795 HydrophobicContact CD2-CE1 3.88Å; L786-F795 HydrophobicContact CD2-CE2 3.52Å; L786-F795 HydrophobicContact CD2-CZ 3.39Å; V792-F795 HydrophobicContact CB-CD2 4.22Å; V792-F795 HydrophobicContact CB-CE2 3.62Å; V792-F795 HydrophobicContact CB-CZ 3.99Å; V792-F795 HydrophobicContact CG1-CD2 4.37Å; V792-F795 HydrophobicContact CG1-CE2 4.02Å; V792-F795 HydrophobicContact CG1-CZ 4.09Å; V792-F795 HydrophobicContact CG2-CE2 4.41Å; V792-F795 HydrophobicContact CG2-CZ 4.46Å; F795-G797 VanDerWaalsContact C-N 3.35Å; F795-G797 PolarHBondContact O-N 2.97Å
796	K	67	Low	69.7	Low	73 Å²	73	83.3 Å²	83.3	32%	0.317	46%	0.462	S	S	.	.			trans	-63.8	82.9	170.6	-75	-162.3	160.2	-169.3	0	113.3	C610 E638 C780 D794 I931 L932	C610-K796 HydrophobicContact CB-CB 3.96Å; C610-K796 HydrophobicContact CB-CD 3.78Å; C610-K796 HydrophobicContact CB-CG 4.41Å; E638-K796 VanDerWaalsContact CD-NZ 3.29Å; E638-K796 IonicContact OE1-NZ 3.37Å; E638-K796 PolarHBondContact OE1-NZ 2.84Å; E638-K796 VanDerWaalsContact OE1-NZ 3.11Å; E638-K796 IonicContact OE2-NZ 3.85Å; E638-K796 PolarHBondContact OE2-NZ 3.26Å; C780-K796 PolarHBondContact SG-O 3.16Å; D794-K796 PolarHBondContact O-N 3.22Å; K796-I931 HydrophobicContact CB-CG2 3.73Å; K796-I931 HydrophobicContact CD-CG2 3.82Å; K796-I931 HydrophobicContact CG-CG2 3.9Å; K796-L932 WeakPolarHBondContact CA-O 3.36Å; K796-L932 WeakPolarHBondContact CG-O 3.38Å
797	G	78.4	Confident	71.4	Confident	7 Å²	7	80.9 Å²	80.9	7%	0.072	45%	0.449	C	S	.	.			trans	-78.1	171.3	171.5	0	0	0	0	0	113.3	F795 I931 L932	F795-G797 VanDerWaalsContact C-N 3.35Å; F795-G797 PolarHBondContact O-N 2.97Å; G797-I931 CarbonylContact O-C 3.48Å; G797-I931 WeakPolarHBondContact O-CA 3.42Å; G797-L932 PolarHBondContact O-N 2.79Å
798	I	89.7	Confident	73	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.9	174.8	-56.4	176.4	0	0	0	109.1	A609 L776 C780 P806 W807 F823 F925 Y929	A609-I798 HydrophobicContact CB-CD1 3.71Å; A609-I798 HydrophobicContact CB-CG1 3.86Å; L776-I798 HydrophobicContact CD1-CD1 4.36Å; L776-I798 HydrophobicContact CD2-CD1 4.28Å; C780-I798 HydrophobicContact CB-CD1 4.14Å; C780-I798 HydrophobicContact CB-CG1 4.38Å; I798-P806 CarbonylContact O-C 3.58Å; I798-P806 WeakPolarHBondContact O-CA 3.47Å; I798-W807 HydrophobicContact CB-CB 4.2Å; I798-W807 HydrophobicContact CB-CE3 4.41Å; I798-W807 HydrophobicContact CD1-CE3 3.87Å; I798-W807 HydrophobicContact CD1-CZ3 4.09Å; I798-W807 HydrophobicContact CG2-CB 3.92Å; I798-W807 PolarHBondContact O-N 3.2Å; I798-F823 HydrophobicContact CD1-CE1 4.29Å; I798-F823 HydrophobicContact CD1-CZ 4.48Å; I798-F925 HydrophobicContact CD1-CE2 4.28Å; I798-F925 HydrophobicContact CD1-CZ 4.4Å; I798-F925 HydrophobicContact CG2-CE2 4.04Å; I798-F925 HydrophobicContact CG2-CZ 4.45Å; I798-Y929 HydrophobicContact CG2-CD1 3.65Å; I798-Y929 HydrophobicContact CG2-CE1 4.49Å; I798-Y929 HydrophobicContact CG2-CG 4.05Å
799	R	90.2	Very high	74.7	Confident	84 Å²	84	73.2 Å²	73.2	32%	0.317	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.6	171.9	-52.9	-167	-62.3	-143.5	-4.2	111.8	K805 Y929 E930 L932	R799-K805 WeakPolarHBondContact CA-O 3.11Å; R799-Y929 CarbonylContact O-C 3.57Å; R799-Y929 VanDerWaalsContact O-CA 3.25Å; R799-Y929 WeakPolarHBondContact O-CA 3.31Å; R799-E930 HydrophobicContact CB-CG 3.87Å; R799-E930 IonicContact CZ-OE1 3.82Å; R799-E930 PolarHBondContact N-O 3.09Å; R799-E930 IonicContact NE-OE1 3.68Å; R799-E930 PolarHBondContact NE-OE1 3.2Å; R799-E930 IonicContact NH2-OE1 2.81Å; R799-E930 PolarHBondContact NH2-OE1 2.92Å; R799-E930 PolarHBondContact O-N 3.25Å; R799-L932 HydrophobicContact CG-CD1 4.01Å; R799-L932 HydrophobicContact CG-CG 4.31Å
800	C	91.7	Very high	76.2	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128	173.4	176.7	0	0	0	0	111.3	I802 S804 K805 C828 F928 Y929	C800-I802 PolarHBondContact O-N 2.84Å; C800-I802 VanDerWaalsContact O-N 3.15Å; C800-I802 PolarHBondContact SG-N 2.89Å; C800-I802 VanDerWaalsContact SG-N 3.44Å; C800-S804 WeakPolarHBondContact O-CA 3.3Å; C800-S804 PolarHBondContact O-N 2.84Å; C800-K805 PolarHBondContact N-O 3.47Å; C800-C828 WeakPolarHBondContact CB-SG 3.29Å; C800-F928 CarbonylContact C-O 3.52Å; C800-F928 WeakPolarHBondContact CA-O 3.42Å; C800-Y929 HydrophobicContact CB-CD1 4.41Å; C800-Y929 HydrophobicContact CB-CE1 4.3Å
801	K	92.1	Very high	77.9	Confident	89 Å²	89	69.5 Å²	69.5	39%	0.387	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.9	179	-71.7	178.9	168.7	176.3	0	114.5	E926 D927 F928 Y929 E930	K801-E926 PolarHBondContact NZ-O 3.37Å; K801-D927 WeakPolarHBondContact CD-O 3.22Å; K801-F928 PolarHBondContact N-O 2.96Å; K801-Y929 WeakPolarHBondContact CE-O 3.34Å; K801-E930 HydrophobicContact CG-CB 4Å; K801-E930 HydrophobicContact CG-CG 4.23Å
802	I	91.3	Very high	79.8	Confident	91 Å²	91	62.2 Å²	62.2	47%	0.467	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-33.7	-174.3	-55.9	179.3	0	0	0	112.5	C800 A831 F928	C800-I802 PolarHBondContact O-N 2.84Å; C800-I802 VanDerWaalsContact O-N 3.15Å; C800-I802 PolarHBondContact SG-N 2.89Å; C800-I802 VanDerWaalsContact SG-N 3.44Å; I802-A831 HydrophobicContact CD1-CB 3.74Å; I802-A831 HydrophobicContact CG2-CB 3.79Å; I802-F928 HydrophobicContact CD1-CD1 3.65Å; I802-F928 HydrophobicContact CD1-CE1 3.33Å; I802-F928 HydrophobicContact CD1-CG 4.48Å; I802-F928 HydrophobicContact CD1-CZ 3.91Å
803	C	92.1	Very high	81.8	Confident	41 Å²	41	59.6 Å²	59.6	28%	0.277	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	5.6	-177.4	68.6	0	0	0	0	114.6	K805 C828 C829	C803-K805 PolarHBondContact O-N 2.84Å; C803-C828 VanDerWaalsContact SG-SG 3.66Å; C803-C829 HydrophobicContact CB-CB 3.88Å
804	S	89.9	Confident	83.9	Confident	84 Å²	84	52 Å²	52	59%	0.587	28%	0.279	S	S	*	.			trans	54.8	1.3	-179.3	-52.3	0	0	0	0	116.5	C800	C800-S804 WeakPolarHBondContact O-CA 3.3Å; C800-S804 PolarHBondContact O-N 2.84Å
805	K	87.7	Confident	85.5	Confident	113 Å²	113	45.3 Å²	45.3	49%	0.491	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-63.9	139.7	175.9	-65.9	-177.7	-174	173.3	0	110	R799 C800 C803 C828	R799-K805 WeakPolarHBondContact CA-O 3.11Å; C800-K805 PolarHBondContact N-O 3.47Å; C803-K805 PolarHBondContact O-N 2.84Å; K805-C828 HydrophobicContact CB-CB 4.4Å; K805-C828 HydrophobicContact CD-CB 4.35Å; K805-C828 WeakPolarHBondContact CD-O 3.42Å; K805-C828 PolarHBondContact NZ-O 2.72Å
806	P	87.7	Confident	87	Confident	65 Å²	65	41.2 Å²	41.2	42%	0.422	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-62.3	138.2	166.8	28.7	-34	0	0	0	109.8	V784 I798	V784-P806 HydrophobicContact CG2-CB 4.11Å; V784-P806 HydrophobicContact CG2-CG 4.06Å; I798-P806 CarbonylContact O-C 3.58Å; I798-P806 WeakPolarHBondContact O-CA 3.47Å
807	W	88.9	Confident	88.1	Confident	3 Å²	3	39 Å²	39	1%	0.011	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-73.8	155.5	164.5	-179.8	80.7	0	0	0	109.2	L776 S783 I798 L812 I822 F823 Y929	L776-W807 HydrophobicContact CD1-CH2 3.69Å; L776-W807 HydrophobicContact CD1-CZ3 3.77Å; S783-W807 PolarHBondContact OG-O 3.35Å; I798-W807 HydrophobicContact CB-CB 4.2Å; I798-W807 HydrophobicContact CB-CE3 4.41Å; I798-W807 HydrophobicContact CD1-CE3 3.87Å; I798-W807 HydrophobicContact CD1-CZ3 4.09Å; I798-W807 HydrophobicContact CG2-CB 3.92Å; I798-W807 PolarHBondContact O-N 3.2Å; W807-L812 HydrophobicContact CH2-CD1 4.03Å; W807-L812 HydrophobicContact CZ2-CD1 4.07Å; W807-I822 HydrophobicContact CH2-CD1 3.99Å; W807-I822 HydrophobicContact CZ2-CB 4.44Å; W807-I822 HydrophobicContact CZ2-CD1 4.09Å; W807-I822 HydrophobicContact CZ2-CG1 4.23Å; W807-F823 HydrophobicContact CD2-CD1 4.17Å; W807-F823 AromaticContact CD2-CE1 3.99Å; W807-F823 HydrophobicContact CD2-CE1 3.99Å; W807-F823 AromaticContact CE2-CD1 3.83Å; W807-F823 AromaticContact CE2-CE1 3.94Å; W807-F823 HydrophobicContact CE3-CE1 4.26Å; W807-F823 HydrophobicContact CG-CD1 4.34Å; W807-F823 HydrophobicContact CG-CE1 4.44Å; W807-F823 HydrophobicContact CH2-CE1 4.43Å; W807-F823 HydrophobicContact CZ2-CD1 4.25Å; W807-F823 HydrophobicContact CZ2-CE1 4.19Å; W807-F823 HydrophobicContact CZ3-CE1 4.46Å; W807-F823 AromaticContact NE1-CD1 3.78Å; W807-Y929 HydrophobicContact CB-CD1 4.42Å; W807-Y929 HydrophobicContact CB-CE1 4.05Å; W807-Y929 HydrophobicContact CG-CE1 4.23Å
808	S	83.8	Confident	88.7	Confident	37 Å²	37	40.5 Å²	40.5	26%	0.259	22%	0.222	S	C	.	.			trans	-144.2	104.4	-175.2	-172.2	0	0	0	0	110	T810	S808-T810 PolarHBondContact O-N 3Å; S808-T810 WeakPolarHBondContact OG-CB 3.5Å; S808-T810 PolarHBondContact OG-OG1 3.46Å
809	G	85.8	Confident	88.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.			trans	-79.9	23.6	166.5	0	0	0	0	0	112.4	M781 S811 L812	M781-G809 WeakPolarHBondContact O-CA 3.47Å; M781-G809 PolarHBondContact O-N 3.16Å; G809-S811 PolarHBondContact O-N 3.43Å; G809-L812 WeakPolarHBondContact O-CA 3.36Å; G809-L812 VanDerWaalsContact O-CB 3.28Å; G809-L812 WeakPolarHBondContact O-CB 3.22Å; G809-L812 PolarHBondContact O-N 2.97Å
810	T	80.7	Confident	88.7	Confident	37 Å²	37	39.6 Å²	39.6	23%	0.227	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.3	-173.3	-55.9	0	0	0	0	112.7	K570 S808 L812	K570-T810 WeakPolarHBondContact CE-O 3.45Å; K570-T810 PolarHBondContact NZ-O 3Å; S808-T810 PolarHBondContact O-N 3Å; S808-T810 WeakPolarHBondContact OG-CB 3.5Å; S808-T810 PolarHBondContact OG-OG1 3.46Å; T810-L812 VanDerWaalsContact C-N 3.33Å
811	S	83	Confident	88.8	Confident	88 Å²	88	39.6 Å²	39.6	62%	0.615	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.5	168.5	52.9	0	0	0	0	114.5	G809	G809-S811 PolarHBondContact O-N 3.43Å
812	L	88.7	Confident	88.8	Confident	6 Å²	6	35.4 Å²	35.4	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	-91.9	148.4	-177.2	-51.5	176	0	0	0	111.2	K570 I626 M781 W807 G809 T810 Y818 I822	K570-L812 PolarHBondContact NZ-O 3Å; I626-L812 HydrophobicContact CD1-CB 4.23Å; I626-L812 HydrophobicContact CD1-CD1 3.49Å; I626-L812 VanDerWaalsContact CD1-CD1 3.49Å; I626-L812 HydrophobicContact CD1-CG 4.47Å; M781-L812 HydrophobicContact CE-CB 4.37Å; M781-L812 WeakPolarHBondContact CE-O 3.35Å; M781-L812 HydrophobicContact SD-CB 3.77Å; M781-L812 HydrophobicContact SD-CD1 4.44Å; W807-L812 HydrophobicContact CH2-CD1 4.03Å; W807-L812 HydrophobicContact CZ2-CD1 4.07Å; G809-L812 WeakPolarHBondContact O-CA 3.36Å; G809-L812 VanDerWaalsContact O-CB 3.28Å; G809-L812 WeakPolarHBondContact O-CB 3.22Å; G809-L812 PolarHBondContact O-N 2.97Å; T810-L812 VanDerWaalsContact C-N 3.33Å; L812-Y818 WeakPolarHBondContact CA-OH 3.47Å; L812-Y818 HydrophobicContact CB-CE2 4.02Å; L812-Y818 HydrophobicContact CD2-CD1 4.49Å; L812-Y818 HydrophobicContact CD2-CE1 3.95Å; L812-Y818 HydrophobicContact CD2-CE2 4Å; L812-Y818 HydrophobicContact CG-CE2 4.46Å; L812-I822 HydrophobicContact CD1-CB 4.12Å; L812-I822 HydrophobicContact CD1-CD1 4.16Å; L812-I822 HydrophobicContact CD1-CG2 4.11Å
813	L	89.3	Confident	88.9	Confident	40 Å²	40	31.2 Å²	31.2	21%	0.209	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-99.3	121.1	-174	177.2	125.7	0	0	0	109.7	Y574 F575 Q577 I626 G816 Y818	Y574-L813 WeakPolarHBondContact O-CD1 3.1Å; F575-L813 CarbonylContact O-C 3.58Å; Q577-L813 HydrophobicContact CB-CD2 3.67Å; Q577-L813 HydrophobicContact CG-CD2 4.5Å; I626-L813 WeakPolarHBondContact CG2-O 3.47Å; L813-G816 PolarHBondContact O-N 3Å; L813-G816 VanDerWaalsContact O-N 3.08Å; L813-Y818 PolarHBondContact N-OH 3.37Å
814	V	89.9	Confident	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-57.6	139.2	178	176.4	0	0	0	0	109.6	F563 L566 F575 I576 Q577 M778 M781 G816	F563-V814 HydrophobicContact CE1-CG1 4.37Å; L566-V814 HydrophobicContact CD1-CG2 4.09Å; L566-V814 HydrophobicContact CD2-CG2 4.24Å; F575-V814 PolarHBondContact O-N 3.3Å; I576-V814 CarbonylContact C-O 3.59Å; I576-V814 WeakPolarHBondContact CA-O 3.37Å; I576-V814 HydrophobicContact CB-CB 4.49Å; I576-V814 HydrophobicContact CG1-CB 4.24Å; I576-V814 HydrophobicContact CG2-CB 4.37Å; I576-V814 HydrophobicContact CG2-CG1 4.33Å; Q577-V814 PolarHBondContact N-O 2.95Å; M778-V814 HydrophobicContact CG-CG1 3.93Å; M778-V814 HydrophobicContact CG-CG2 3.97Å; M778-V814 HydrophobicContact SD-CB 4.43Å; M778-V814 HydrophobicContact SD-CG1 3.56Å; M778-V814 VanDerWaalsContact SD-CG1 3.56Å; M778-V814 HydrophobicContact SD-CG2 3.96Å; M781-V814 HydrophobicContact CE-CG2 3.73Å; V814-G816 PolarHBondContact O-N 2.92Å
815	G	89.2	Confident	88.8	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.01	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-10.1	-174.7	0	0	0	0	0	115.7	G625	G625-G815 PolarHBondContact O-N 3.22Å
816	G	88.7	Confident	88.7	Confident	6 Å²	6	22.1 Å²	22.1	6%	0.062	13%	0.133	C	C	.	.			trans	-68.6	152.5	179.9	0	0	0	0	0	113.6	F627 L813 V814	F627-G816 PolarHBondContact N-O 3.32Å; L813-G816 PolarHBondContact O-N 3Å; L813-G816 VanDerWaalsContact O-N 3.08Å; V814-G816 PolarHBondContact O-N 2.92Å
817	L	91.3	Very high	88.5	Confident	27 Å²	27	21.1 Å²	21.1	14%	0.141	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.5	168.3	178.8	66	0	0	0	109.9	T589 F592 F627 I629 L773	T589-L817 HydrophobicContact CG2-CB 4.01Å; T589-L817 HydrophobicContact CG2-CD2 3.59Å; T589-L817 HydrophobicContact CG2-CG 4.39Å; F592-L817 HydrophobicContact CD1-CD2 4.48Å; F627-L817 HydrophobicContact CB-CD1 3.45Å; F627-L817 VanDerWaalsContact CB-CD1 3.45Å; F627-L817 HydrophobicContact CG-CD1 4.46Å; F627-L817 WeakPolarHBondContact O-CA 3.45Å; I629-L817 HydrophobicContact CD1-CD1 4.13Å; I629-L817 HydrophobicContact CD1-CD2 4.28Å; I629-L817 HydrophobicContact CD1-CG 4.42Å; I629-L817 HydrophobicContact CG1-CD1 3.99Å; L773-L817 HydrophobicContact CD1-CD1 3.62Å
818	Y	91.2	Very high	88.3	Confident	38 Å²	38	22.1 Å²	22.1	15%	0.149	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.7	175.8	-68.2	-79.7	0	0	0	111.2	I626 F627 F628 I629 L812 L813 Y820 I822	I626-Y818 HydrophobicContact CD1-CD2 4.47Å; F627-Y818 PolarHBondContact O-N 3.32Å; F628-Y818 CarbonylContact C-O 3.56Å; F628-Y818 VanDerWaalsContact CA-O 3.26Å; F628-Y818 WeakPolarHBondContact CA-O 3.45Å; I629-Y818 PolarHBondContact N-O 2.87Å; L812-Y818 WeakPolarHBondContact CA-OH 3.47Å; L812-Y818 HydrophobicContact CB-CE2 4.02Å; L812-Y818 HydrophobicContact CD2-CD1 4.49Å; L812-Y818 HydrophobicContact CD2-CE1 3.95Å; L812-Y818 HydrophobicContact CD2-CE2 4Å; L812-Y818 HydrophobicContact CG-CE2 4.46Å; L813-Y818 PolarHBondContact N-OH 3.37Å; Y818-Y820 AromaticContact CD1-CE1 3.9Å; Y818-Y820 HydrophobicContact CD1-CE1 3.9Å; Y818-Y820 HydrophobicContact CD1-CE2 4.32Å; Y818-Y820 AromaticContact CD1-CZ 3.61Å; Y818-Y820 WeakPolarHBondContact CD1-OH 3.45Å; Y818-Y820 PolarHBondContact O-N 3.24Å; Y818-Y820 VanDerWaalsContact O-N 3.1Å; Y818-I822 HydrophobicContact CD2-CG2 4.22Å; Y818-I822 HydrophobicContact CG-CG2 4.01Å
819	T	89.5	Confident	88.4	Confident	34 Å²	34	21.7 Å²	21.7	21%	0.209	13%	0.13	C	C	.	.	S	Bend	trans	-82	21	-178	51.6	0	0	0	0	113.9	P715 C718	P715-T819 HydrophobicContact CG-CG2 4.34Å; C718-T819 HydrophobicContact CB-CG2 3.72Å
820	Y	90.2	Very high	88.4	Confident	31 Å²	31	24.4 Å²	24.4	12%	0.122	15%	0.149	C	C	.	.	S	Bend	trans	-153.3	164.9	-174.8	57.7	-97.2	0	0	0	111.3	I629 Y818 I822 A825 F902	I629-Y820 CarbonylContact O-C 3.59Å; I629-Y820 WeakPolarHBondContact O-CA 3.42Å; I629-Y820 PolarHBondContact O-N 2.75Å; Y818-Y820 AromaticContact CD1-CE1 3.9Å; Y818-Y820 HydrophobicContact CD1-CE1 3.9Å; Y818-Y820 HydrophobicContact CD1-CE2 4.32Å; Y818-Y820 AromaticContact CD1-CZ 3.61Å; Y818-Y820 WeakPolarHBondContact CD1-OH 3.45Å; Y818-Y820 PolarHBondContact O-N 3.24Å; Y818-Y820 VanDerWaalsContact O-N 3.1Å; Y820-I822 HydrophobicContact CE2-CG2 4.28Å; Y820-I822 PolarHBondContact O-N 3.45Å; Y820-A825 HydrophobicContact CD2-CB 3.75Å; Y820-A825 HydrophobicContact CE2-CB 3.53Å; Y820-F902 HydrophobicContact CD2-CB 4.19Å; Y820-F902 HydrophobicContact CE1-CB 4.14Å; Y820-F902 HydrophobicContact CE2-CB 3.63Å; Y820-F902 HydrophobicContact CE2-CG 4.45Å
821	D	93.2	Very high	88.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.147	C	C	.	.			trans	-71	114.6	172.3	-177	-33.7	0	0	0	110.8	S630 H634 F823 A824 A825 S906 V922	S630-D821 PolarHBondContact OG-OD2 3.39Å; H634-D821 IonicContact CE1-OD2 3.94Å; H634-D821 PolarHBondContact CE1-OD2 2.94Å; H634-D821 IonicContact NE2-OD2 2.83Å; H634-D821 PolarHBondContact NE2-OD2 2.84Å; H634-D821 VanDerWaalsContact NE2-OD2 3.09Å; D821-F823 VanDerWaalsContact C-N 3.33Å; D821-F823 PolarHBondContact O-N 3.32Å; D821-F823 WeakPolarHBondContact OD1-CA 3.5Å; D821-F823 VanDerWaalsContact OD1-CB 3.28Å; D821-F823 WeakPolarHBondContact OD1-CB 3.41Å; D821-F823 PolarHBondContact OD1-N 2.89Å; D821-A824 HydrophobicContact CB-CB 3.88Å; D821-A824 PolarHBondContact O-N 2.88Å; D821-A824 PolarHBondContact OD1-N 2.87Å; D821-A825 WeakPolarHBondContact O-CB 3.42Å; D821-A825 PolarHBondContact O-N 3.48Å; D821-S906 WeakPolarHBondContact CB-OG 3.35Å; D821-S906 PolarHBondContact N-OG 2.92Å; D821-V922 HydrophobicContact CB-CG1 4.25Å; D821-V922 WeakPolarHBondContact OD2-CG1 3.36Å
822	I	93.4	Very high	88.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-71.4	-21.6	-178.8	58.6	176.8	0	0	0	114	I626 F628 L776 W807 L812 Y818 Y820 V826	I626-I822 HydrophobicContact CD1-CD1 3.6Å; F628-I822 HydrophobicContact CB-CD1 4.36Å; F628-I822 HydrophobicContact CB-CG1 4.39Å; F628-I822 HydrophobicContact CB-CG2 3.83Å; F628-I822 HydrophobicContact CD1-CD1 3.44Å; F628-I822 VanDerWaalsContact CD1-CD1 3.44Å; F628-I822 HydrophobicContact CD1-CG1 3.88Å; F628-I822 HydrophobicContact CD2-CG1 4.04Å; F628-I822 HydrophobicContact CE1-CD1 3.73Å; F628-I822 HydrophobicContact CE1-CG1 4.07Å; F628-I822 HydrophobicContact CE2-CG1 4.22Å; F628-I822 HydrophobicContact CG-CD1 3.88Å; F628-I822 HydrophobicContact CG-CG1 3.85Å; F628-I822 HydrophobicContact CG-CG2 4.23Å; F628-I822 HydrophobicContact CZ-CD1 4.37Å; F628-I822 HydrophobicContact CZ-CG1 4.23Å; L776-I822 HydrophobicContact CD1-CD1 3.69Å; W807-I822 HydrophobicContact CH2-CD1 3.99Å; W807-I822 HydrophobicContact CZ2-CB 4.44Å; W807-I822 HydrophobicContact CZ2-CD1 4.09Å; W807-I822 HydrophobicContact CZ2-CG1 4.23Å; L812-I822 HydrophobicContact CD1-CB 4.12Å; L812-I822 HydrophobicContact CD1-CD1 4.16Å; L812-I822 HydrophobicContact CD1-CG2 4.11Å; Y818-I822 HydrophobicContact CD2-CG2 4.22Å; Y818-I822 HydrophobicContact CG-CG2 4.01Å; Y820-I822 HydrophobicContact CE2-CG2 4.28Å; Y820-I822 PolarHBondContact O-N 3.45Å; I822-V826 WeakPolarHBondContact O-CG2 3.48Å; I822-V826 PolarHBondContact O-N 3.35Å
823	F	92.8	Very high	88.8	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-80.7	-39	174.1	-60.1	-69.4	0	0	0	111.1	L608 F628 L776 I798 W807 D821 A825 V826 F925 Y929	L608-F823 HydrophobicContact CD2-CE2 3.97Å; F628-F823 HydrophobicContact CE1-CE2 4.33Å; F628-F823 HydrophobicContact CZ-CD2 4.2Å; F628-F823 AromaticContact CZ-CE2 3.77Å; F628-F823 HydrophobicContact CZ-CE2 3.77Å; L776-F823 HydrophobicContact CD1-CE1 4.44Å; L776-F823 HydrophobicContact CD1-CZ 3.88Å; I798-F823 HydrophobicContact CD1-CE1 4.29Å; I798-F823 HydrophobicContact CD1-CZ 4.48Å; W807-F823 HydrophobicContact CD2-CD1 4.17Å; W807-F823 AromaticContact CD2-CE1 3.99Å; W807-F823 HydrophobicContact CD2-CE1 3.99Å; W807-F823 AromaticContact CE2-CD1 3.83Å; W807-F823 AromaticContact CE2-CE1 3.94Å; W807-F823 HydrophobicContact CE3-CE1 4.26Å; W807-F823 HydrophobicContact CG-CD1 4.34Å; W807-F823 HydrophobicContact CG-CE1 4.44Å; W807-F823 HydrophobicContact CH2-CE1 4.43Å; W807-F823 HydrophobicContact CZ2-CD1 4.25Å; W807-F823 HydrophobicContact CZ2-CE1 4.19Å; W807-F823 HydrophobicContact CZ3-CE1 4.46Å; W807-F823 AromaticContact NE1-CD1 3.78Å; D821-F823 VanDerWaalsContact C-N 3.33Å; D821-F823 PolarHBondContact O-N 3.32Å; D821-F823 WeakPolarHBondContact OD1-CA 3.5Å; D821-F823 VanDerWaalsContact OD1-CB 3.28Å; D821-F823 WeakPolarHBondContact OD1-CB 3.41Å; D821-F823 PolarHBondContact OD1-N 2.89Å; F823-A825 VanDerWaalsContact C-N 3.3Å; F823-V826 PolarHBondContact O-N 3.43Å; F823-F925 HydrophobicContact CD2-CD2 4.35Å; F823-F925 AromaticContact CE1-CD2 3.98Å; F823-F925 HydrophobicContact CE1-CD2 3.98Å; F823-F925 AromaticContact CE1-CE2 3.82Å; F823-F925 HydrophobicContact CE1-CE2 3.82Å; F823-F925 AromaticContact CE2-CD2 3.71Å; F823-F925 HydrophobicContact CE2-CD2 3.71Å; F823-F925 HydrophobicContact CE2-CE2 4.19Å; F823-F925 AromaticContact CZ-CD2 3.48Å; F823-F925 HydrophobicContact CZ-CD2 3.48Å; F823-F925 VanDerWaalsContact CZ-CD2 3.48Å; F823-F925 AromaticContact CZ-CE2 3.49Å; F823-F925 HydrophobicContact CZ-CE2 3.49Å; F823-F925 VanDerWaalsContact CZ-CE2 3.49Å; F823-Y929 HydrophobicContact CB-CE2 3.66Å; F823-Y929 HydrophobicContact CD1-CD2 4.15Å; F823-Y929 HydrophobicContact CD1-CE1 4.16Å; F823-Y929 AromaticContact CD1-CE2 3.64Å; F823-Y929 HydrophobicContact CD1-CE2 3.64Å; F823-Y929 AromaticContact CD1-CZ 3.63Å; F823-Y929 HydrophobicContact CE1-CE2 4.48Å; F823-Y929 HydrophobicContact CG-CD2 4.42Å; F823-Y929 AromaticContact CG-CE2 3.79Å; F823-Y929 HydrophobicContact CG-CE2 3.79Å; F823-Y929 PolarHBondContact O-OH 2.91Å
824	A	90.8	Very high	88.8	Confident	2 Å²	2	19.7 Å²	19.7	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-65.1	-35.6	171	0	0	0	0	0	111.9	D821 F921 V922	D821-A824 HydrophobicContact CB-CB 3.88Å; D821-A824 PolarHBondContact O-N 2.88Å; D821-A824 PolarHBondContact OD1-N 2.87Å; A824-F921 HydrophobicContact CB-CB 4.37Å; A824-V922 HydrophobicContact CB-CG2 4.15Å
825	A	88.1	Confident	88.7	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.033	12%	0.12	C	C	.	.	H	α-helix	trans	-73.3	-26.7	178.5	0	0	0	0	0	114.8	Y820 D821 F823 P827 F902	Y820-A825 HydrophobicContact CD2-CB 3.75Å; Y820-A825 HydrophobicContact CE2-CB 3.53Å; D821-A825 WeakPolarHBondContact O-CB 3.42Å; D821-A825 PolarHBondContact O-N 3.48Å; F823-A825 VanDerWaalsContact C-N 3.3Å; A825-P827 WeakPolarHBondContact O-CD 3.39Å; A825-F902 HydrophobicContact CB-CB 3.8Å; A825-F902 HydrophobicContact CB-CD1 3.8Å; A825-F902 HydrophobicContact CB-CG 4.08Å; A825-F902 VanDerWaalsContact O-CD1 3.27Å; A825-F902 WeakPolarHBondContact O-CD1 3.04Å; A825-F902 WeakPolarHBondContact O-CE1 3.4Å
826	V	85.6	Confident	88.4	Confident	41 Å²	41	22.1 Å²	22.1	25%	0.248	14%	0.144	C	C	.	.	S	Bend	trans	-119.5	68.7	-178.1	-169.7	0	0	0	0	110.8	I822 F823 C828	I822-V826 WeakPolarHBondContact O-CG2 3.48Å; I822-V826 PolarHBondContact O-N 3.35Å; F823-V826 PolarHBondContact O-N 3.43Å; V826-C828 PolarHBondContact O-N 2.94Å
827	P	84.1	Confident	88.3	Confident	44 Å²	44	25.2 Å²	25.2	29%	0.286	17%	0.165	S	C	.	.			trans	-73.3	124.6	-178	30.4	-35.7	0	0	0	112	A825 H832 L833	A825-P827 WeakPolarHBondContact O-CD 3.39Å; P827-H832 HydrophobicContact CB-CB 3.54Å; P827-L833 HydrophobicContact CB-CD2 4.39Å; P827-L833 HydrophobicContact CG-CD2 4.19Å
828	C	85.1	Confident	88.2	Confident	24 Å²	24	26.1 Å²	26.1	16%	0.162	17%	0.173	C	C	.	.	S	Bend	trans	-87.1	-13.1	-178.7	53.4	0	0	0	0	114.6	C800 C803 K805 V826	C800-C828 WeakPolarHBondContact CB-SG 3.29Å; C803-C828 VanDerWaalsContact SG-SG 3.66Å; K805-C828 HydrophobicContact CB-CB 4.4Å; K805-C828 HydrophobicContact CD-CB 4.35Å; K805-C828 WeakPolarHBondContact CD-O 3.42Å; K805-C828 PolarHBondContact NZ-O 2.72Å; V826-C828 PolarHBondContact O-N 2.94Å
829	C	86.5	Confident	88.1	Confident	27 Å²	27	31.9 Å²	31.9	18%	0.182	20%	0.201	C	C	.	.	S	Bend	trans	-155.1	162.9	177.6	62.1	0	0	0	0	111.9	C803 A831 H832	C803-C829 HydrophobicContact CB-CB 3.88Å; C829-A831 PolarHBondContact O-N 2.8Å; C829-A831 VanDerWaalsContact O-N 3.11Å; C829-H832 PolarHBondContact O-N 3.3Å; C829-H832 VanDerWaalsContact O-N 3.16Å
830	S	85.7	Confident	88	Confident	57 Å²	57	32 Å²	32	40%	0.399	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.3	-20	179	49.6	0	0	0	0	114.4	H832 L833	S830-H832 VanDerWaalsContact C-N 3.28Å; S830-H832 PolarHBondContact O-N 2.91Å; S830-L833 WeakPolarHBondContact O-CA 3.08Å; S830-L833 WeakPolarHBondContact O-CB 3.29Å; S830-L833 PolarHBondContact O-N 3.31Å
831	A	86.3	Confident	87.7	Confident	22 Å²	22	35.5 Å²	35.5	18%	0.182	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64	-30.5	176.1	0	0	0	0	0	113	I802 C829 L833 T834	I802-A831 HydrophobicContact CD1-CB 3.74Å; I802-A831 HydrophobicContact CG2-CB 3.79Å; C829-A831 PolarHBondContact O-N 2.8Å; C829-A831 VanDerWaalsContact O-N 3.11Å; A831-L833 PolarHBondContact O-N 2.87Å; A831-T834 PolarHBondContact O-N 2.93Å; A831-T834 PolarHBondContact O-OG1 2.92Å
832	H	87.2	Confident	87.1	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-64.7	-30.5	170.9	-81.1	-100.5	0	0	0	112.1	P827 C829 S830 T834 F928 Y929	P827-H832 HydrophobicContact CB-CB 3.54Å; C829-H832 PolarHBondContact O-N 3.3Å; C829-H832 VanDerWaalsContact O-N 3.16Å; S830-H832 VanDerWaalsContact C-N 3.28Å; S830-H832 PolarHBondContact O-N 2.91Å; H832-T834 PolarHBondContact O-N 2.74Å; H832-F928 AromaticContact CE1-CD1 3.72Å; H832-F928 AromaticContact NE2-CD1 3.6Å; H832-Y929 AromaticContact CE1-CE2 3.8Å; H832-Y929 AromaticContact CE1-CZ 3.57Å; H832-Y929 PolarHBondContact CE1-OH 2.89Å; H832-Y929 AromaticContact NE2-CZ 3.98Å
833	L	87.7	Confident	86	Confident	26 Å²	26	36.4 Å²	36.4	14%	0.136	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-83	13.4	179.7	-54.1	178.5	0	0	0	113.4	P827 S830 A831 L842 D843 Y905 F921	P827-L833 HydrophobicContact CB-CD2 4.39Å; P827-L833 HydrophobicContact CG-CD2 4.19Å; S830-L833 WeakPolarHBondContact O-CA 3.08Å; S830-L833 WeakPolarHBondContact O-CB 3.29Å; S830-L833 PolarHBondContact O-N 3.31Å; A831-L833 PolarHBondContact O-N 2.87Å; L833-L842 WeakPolarHBondContact O-CB 3.46Å; L833-L842 PolarHBondContact O-N 2.95Å; L833-D843 HydrophobicContact CB-CB 4.43Å; L833-D843 HydrophobicContact CD1-CB 4.16Å; L833-D843 VanDerWaalsContact CD1-OD2 3.3Å; L833-D843 WeakPolarHBondContact CD1-OD2 3.41Å; L833-Y905 HydrophobicContact CD2-CD1 4.49Å; L833-Y905 HydrophobicContact CD2-CE1 3.87Å; L833-F921 HydrophobicContact CD2-CD1 4.14Å; L833-F921 HydrophobicContact CD2-CE1 4.25Å
834	T	89	Confident	84.2	Confident	23 Å²	23	40.8 Å²	40.8	14%	0.141	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-98.5	147.1	178	64.9	0	0	0	0	113	A831 H832 G836 Q839 S840 R841 K923	A831-T834 PolarHBondContact O-N 2.93Å; A831-T834 PolarHBondContact O-OG1 2.92Å; H832-T834 PolarHBondContact O-N 2.74Å; T834-G836 PolarHBondContact O-N 3.19Å; T834-Q839 WeakPolarHBondContact CB-O 3.47Å; T834-Q839 VanDerWaalsContact CG2-O 3.23Å; T834-Q839 WeakPolarHBondContact CG2-O 3.38Å; T834-S840 WeakPolarHBondContact CA-O 3.15Å; T834-R841 HydrophobicContact CG2-CG 4.01Å; T834-K923 PolarHBondContact O-NZ 3.39Å
835	C	87.5	Confident	82.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.248	C	C	.	.			trans	-57.7	125.2	169.1	176.2	0	0	0	0	111.3	S837 C838 Q839 S840 L842 C911 H920	C835-S837 PolarHBondContact O-N 3.31Å; C835-S837 PolarHBondContact SG-N 3.28Å; C835-S837 VanDerWaalsContact SG-N 3.37Å; C835-C838 VanDerWaalsContact CB-SG 3.59Å; C835-Q839 VanDerWaalsContact O-CA 3.28Å; C835-Q839 WeakPolarHBondContact O-CA 3.46Å; C835-Q839 PolarHBondContact O-N 2.93Å; C835-S840 PolarHBondContact N-O 3.46Å; C835-L842 HydrophobicContact CB-CD1 4.45Å; C835-L842 HydrophobicContact CB-CD2 4.24Å; C835-L842 HydrophobicContact CB-CG 4.38Å; C835-C911 HydrophobicContact CB-CB 4.38Å; C835-C911 PolarHBondContact SG-SG 2.91Å; C835-H920 VanDerWaalsContact SG-CE1 3.6Å; C835-H920 PolarHBondContact SG-ND1 2.99Å; C835-H920 VanDerWaalsContact SG-ND1 3.36Å; C835-H920 PolarHBondContact SG-NE2 3.27Å; C835-H920 VanDerWaalsContact SG-NE2 3.4Å
836	G	82.6	Confident	79.9	Confident	51 Å²	51	45.9 Å²	45.9	53%	0.526	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-5.3	176.5	0	0	0	0	0	116.4	T834 H920	T834-G836 PolarHBondContact O-N 3.19Å; G836-H920 PolarHBondContact N-CE1 2.85Å
837	S	85.6	Confident	77.4	Confident	71 Å²	71	50.6 Å²	50.6	50%	0.497	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-41.5	-179.5	-158.9	0	0	0	0	114.5	C835	C835-S837 PolarHBondContact O-N 3.31Å; C835-S837 PolarHBondContact SG-N 3.28Å; C835-S837 VanDerWaalsContact SG-N 3.37Å
838	C	90.6	Very high	74.7	Confident	46 Å²	46	52.9 Å²	52.9	31%	0.311	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	1.3	-177.4	67.1	0	0	0	0	113.6	C835 S840 C914	C835-C838 VanDerWaalsContact CB-SG 3.59Å; C838-S840 PolarHBondContact O-N 3.42Å; C838-S840 PolarHBondContact SG-OG 2.95Å; C838-C914 HydrophobicContact CB-CB 3.83Å
839	Q	89	Confident	72	Confident	159 Å²	159	57 Å²	57	74%	0.743	35%	0.348	S	S	*	.			trans	58.5	1.3	-179.9	-56.1	-179.5	3.2	0	0	115.6	T834 C835 R841	T834-Q839 WeakPolarHBondContact CB-O 3.47Å; T834-Q839 VanDerWaalsContact CG2-O 3.23Å; T834-Q839 WeakPolarHBondContact CG2-O 3.38Å; C835-Q839 VanDerWaalsContact O-CA 3.28Å; C835-Q839 WeakPolarHBondContact O-CA 3.46Å; C835-Q839 PolarHBondContact O-N 2.93Å; Q839-R841 PolarHBondContact O-N 3.03Å
840	S	86.6	Confident	69.2	Low	37 Å²	37	62.7 Å²	62.7	26%	0.259	38%	0.376	S	S	.	.			trans	-59	131.2	172.3	-48	0	0	0	0	110.7	T834 C835 C838 L842 Y913	T834-S840 WeakPolarHBondContact CA-O 3.15Å; C835-S840 PolarHBondContact N-O 3.46Å; C838-S840 PolarHBondContact O-N 3.42Å; C838-S840 PolarHBondContact SG-OG 2.95Å; S840-L842 PolarHBondContact O-N 2.83Å; S840-Y913 VanDerWaalsContact CB-CG 3.45Å; S840-Y913 WeakPolarHBondContact OG-CB 3.48Å
841	R	85.2	Confident	66.5	Low	105 Å²	105	65 Å²	65	40%	0.396	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-62.3	120.7	173.9	-89.9	-174.6	76.7	170.5	4.9	110.3	T834 Q839 D843 Y913	T834-R841 HydrophobicContact CG2-CG 4.01Å; Q839-R841 PolarHBondContact O-N 3.03Å; R841-D843 VanDerWaalsContact C-N 3.34Å; R841-D843 VanDerWaalsContact CB-OD1 3.28Å; R841-D843 WeakPolarHBondContact CB-OD1 3.32Å; R841-D843 IonicContact CZ-OD1 3.24Å; R841-D843 IonicContact CZ-OD2 3.97Å; R841-D843 IonicContact NE-OD1 3.03Å; R841-D843 PolarHBondContact NE-OD1 2.93Å; R841-D843 IonicContact NE-OD2 3.65Å; R841-D843 PolarHBondContact NE-OD2 2.83Å; R841-D843 IonicContact NH2-OD1 3.88Å; R841-D843 IonicContact NH2-OD2 3.84Å; R841-D843 PolarHBondContact NH2-OD2 2.86Å; R841-Y913 VanDerWaalsContact O-CE2 3.23Å; R841-Y913 WeakPolarHBondContact O-CE2 3.44Å; R841-Y913 PolarHBondContact O-OH 3.27Å
842	L	79	Confident	63.9	Low	0 Å²	0	69.7 Å²	69.7	0%	0	42%	0.419	C	S	.	.	S	Bend	trans	-82.8	-14	-179.8	-63.3	177.4	0	0	0	112.4	L833 C835 S840 L845 Y897 I909 P912 Y913 H920 F921	L833-L842 WeakPolarHBondContact O-CB 3.46Å; L833-L842 PolarHBondContact O-N 2.95Å; C835-L842 HydrophobicContact CB-CD1 4.45Å; C835-L842 HydrophobicContact CB-CD2 4.24Å; C835-L842 HydrophobicContact CB-CG 4.38Å; S840-L842 PolarHBondContact O-N 2.83Å; L842-L845 WeakPolarHBondContact O-CD1 3.31Å; L842-Y897 WeakPolarHBondContact O-CD2 3.48Å; L842-Y897 WeakPolarHBondContact O-CE2 3.34Å; L842-I909 HydrophobicContact CD1-CD1 4.06Å; L842-P912 HydrophobicContact CD2-CG 4.26Å; L842-Y913 HydrophobicContact CD2-CD2 4.15Å; L842-Y913 HydrophobicContact CD2-CE2 4.19Å; L842-H920 HydrophobicContact CD1-CB 3.57Å; L842-F921 HydrophobicContact CB-CE1 3.96Å; L842-F921 HydrophobicContact CB-CZ 3.85Å; L842-F921 HydrophobicContact CD1-CE1 3.74Å; L842-F921 HydrophobicContact CD1-CE2 4.24Å; L842-F921 HydrophobicContact CD1-CZ 3.48Å; L842-F921 VanDerWaalsContact CD1-CZ 3.48Å; L842-F921 HydrophobicContact CG-CE1 4.39Å; L842-F921 HydrophobicContact CG-CZ 4.3Å
843	D	70.6	Confident	61.2	Low	20 Å²	20	77.3 Å²	77.3	11%	0.107	46%	0.459	C	S	.	.	S	Bend	trans	-76.8	-28.8	-176.5	51.7	-14.1	0	0	0	114.6	L833 R841 L845	L833-D843 HydrophobicContact CB-CB 4.43Å; L833-D843 HydrophobicContact CD1-CB 4.16Å; L833-D843 VanDerWaalsContact CD1-OD2 3.3Å; L833-D843 WeakPolarHBondContact CD1-OD2 3.41Å; R841-D843 VanDerWaalsContact C-N 3.34Å; R841-D843 VanDerWaalsContact CB-OD1 3.28Å; R841-D843 WeakPolarHBondContact CB-OD1 3.32Å; R841-D843 IonicContact CZ-OD1 3.24Å; R841-D843 IonicContact CZ-OD2 3.97Å; R841-D843 IonicContact NE-OD1 3.03Å; R841-D843 PolarHBondContact NE-OD1 2.93Å; R841-D843 IonicContact NE-OD2 3.65Å; R841-D843 PolarHBondContact NE-OD2 2.83Å; R841-D843 IonicContact NH2-OD1 3.88Å; R841-D843 IonicContact NH2-OD2 3.84Å; R841-D843 PolarHBondContact NH2-OD2 2.86Å; D843-L845 PolarHBondContact O-N 2.97Å
844	N	55.5	Low	58.4	Low	96 Å²	96	81.2 Å²	81.2	51%	0.513	49%	0.488	S	S	.	.			trans	-78.4	33.2	-177.8	-70.5	-3.8	0	0	0	114.8	S846	N844-S846 PolarHBondContact O-N 3.27Å
845	L	51.2	Low	55.9	Low	15 Å²	15	85.9 Å²	85.9	8%	0.079	52%	0.519	C	S	.	.			trans	-82.9	55.6	176.2	-90.4	88.6	0	0	0	113.5	L842 D843 I894 P912 Y913	L842-L845 WeakPolarHBondContact O-CD1 3.31Å; D843-L845 PolarHBondContact O-N 2.97Å; L845-I894 HydrophobicContact CD2-CB 4.14Å; L845-I894 HydrophobicContact CD2-CD1 4.05Å; L845-I894 HydrophobicContact CD2-CG2 3.5Å; L845-I894 VanDerWaalsContact CD2-CG2 3.5Å; L845-P912 HydrophobicContact CD1-CG 3.8Å; L845-P912 HydrophobicContact CD2-CB 4.1Å; L845-P912 HydrophobicContact CD2-CG 3.77Å; L845-P912 HydrophobicContact CG-CG 4.36Å; L845-Y913 HydrophobicContact CD1-CE2 3.99Å
846	S	36.8	Very low	53.3	Low	97 Å²	97	92.1 Å²	92.1	68%	0.678	56%	0.56	S	S	*	*			trans	-101.5	84.5	158.5	58.2	0	0	0	0	108.8	N844 S848	N844-S846 PolarHBondContact O-N 3.27Å; S846-S848 PolarHBondContact O-N 3.31Å
847	I	33.1	Very low	51	Low	140 Å²	140	98.7 Å²	98.7	72%	0.718	58%	0.577	S	S	*	*			trans	-67.5	106	172.7	-61	177.6	0	0	0	107.7	S849 I894	I847-S849 PolarHBondContact O-N 3.45Å; I847-S849 VanDerWaalsContact O-N 3.13Å; I847-I894 HydrophobicContact CD1-CD1 4.33Å
848	S	28.2	Very low	48.8	Very low	93 Å²	93	101.5 Å²	101.5	65%	0.65	59%	0.593	S	S	*	*			trans	-67.1	108.2	176	36.1	0	0	0	0	109.9	S846 N850	S846-S848 PolarHBondContact O-N 3.31Å; S848-N850 PolarHBondContact O-N 3.38Å
849	S	27.5	Very low	46.1	Very low	111 Å²	111	107.3 Å²	107.3	78%	0.776	62%	0.616	S	S	*	*	S	Bend	trans	-69.8	76.4	172.5	56.6	0	0	0	0	110.7	I847	I847-S849 PolarHBondContact O-N 3.45Å; I847-S849 VanDerWaalsContact O-N 3.13Å
850	N	28.3	Very low	43.9	Very low	145 Å²	145	105.9 Å²	105.9	78%	0.775	62%	0.62	S	S	*	*			trans	176.5	94.3	152.6	-89.3	-21.5	0	0	0	109.4	S848	S848-N850 PolarHBondContact O-N 3.38Å
851	S	29.7	Very low	41.8	Very low	107 Å²	107	109.3 Å²	109.3	75%	0.748	64%	0.641	S	S	*	*			trans	-117.7	57.1	168.3	-69.4	0	0	0	0	109.9	L853	S851-L853 PolarHBondContact O-N 2.84Å
852	T	31.4	Very low	39.7	Very low	119 Å²	119	110 Å²	110	73%	0.73	66%	0.659	S	S	*	*			trans	-70.3	118.5	176.5	-48.3	0	0	0	0	109.5	S854	T852-S854 PolarHBondContact O-N 3.32Å
853	L	29.2	Very low	37.9	Very low	163 Å²	163	116 Å²	116	85%	0.853	70%	0.698	S	S	*	*			trans	-64.9	120.2	179.8	-78.7	69.5	0	0	0	110.9	S851	S851-L853 PolarHBondContact O-N 2.84Å
854	S	30.6	Very low	36.2	Very low	107 Å²	107	120.8 Å²	120.8	75%	0.748	73%	0.729	S	S	*	*			trans	-148.8	126.1	162.2	-80.4	0	0	0	0	109.6	T852	T852-S854 PolarHBondContact O-N 3.32Å
855	P	36.3	Very low	35.2	Very low	122 Å²	122	122.9 Å²	122.9	79%	0.792	74%	0.74	S	S	*	*			trans	-77.4	157.1	177.4	32.4	-34.8	0	0	0	112.2
856	P	32.3	Very low	34.3	Very low	131 Å²	131	127.3 Å²	127.3	85%	0.851	77%	0.767	S	S	*	*			trans	-81.4	144.2	-172.3	31.9	-35.7	0	0	0	114.2
857	Q	35.3	Very low	33.9	Very low	189 Å²	189	129.6 Å²	129.6	88%	0.883	77%	0.772	S	S	*	*			trans	-128.8	151.5	157.2	-79.6	-162.7	-47.3	0	0	110.9
858	P	38.3	Very low	33.8	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	78%	0.776	S	S	*	*			trans	-84.2	156.4	-175.1	-9.2	28.7	0	0	0	114.2
859	Q	35.1	Very low	33.8	Very low	169 Å²	169	133.7 Å²	133.7	79%	0.79	78%	0.781	S	S	*	*			trans	-75.8	167.4	173.2	-59.4	-178.7	-26	0	0	112.4
860	P	41.2	Very low	34.1	Very low	129 Å²	129	134.6 Å²	134.6	84%	0.838	79%	0.787	S	S	*	*				-125	172.6	87.9	0.3	22.3	0	0	0	115.8
861	P	42.9	Very low	34.3	Very low	108 Å²	108	135 Å²	135	70%	0.701	79%	0.789	S	S	*	*			trans	-99.4	171.3	-164.8	38.8	-37.3	0	0	0	117.1
862	P	40.4	Very low	34.5	Very low	120 Å²	120	136 Å²	136	78%	0.779	79%	0.785	S	S	*	*			trans	-110.7	176.2	-171.9	42.5	-35.7	0	0	0	115.6
863	P	41.3	Very low	34.7	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	79%	0.79	S	S	*	*			trans	-103.2	138.5	168.4	36.6	-29.6	0	0	0	115.4
864	T	34.7	Very low	34.8	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	79%	0.791	S	S	*	*			trans	-46.9	151.5	174.8	-16.6	0	0	0	0	118.6
865	N	35	Very low	35.1	Very low	139 Å²	139	137.3 Å²	137.3	74%	0.743	79%	0.785	S	S	*	*				174.2	122.2	109	-89.9	-25	0	0	0	118.8
866	T	31.8	Very low	35	Very low	108 Å²	108	140.1 Å²	140.1	66%	0.663	79%	0.787	S	S	*	*			trans	53.7	121.8	136.7	58.2	0	0	0	0	126.2
867	L	28.5	Very low	34.7	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	78%	0.781	S	S	*	*			trans	70.3	159	133.3	-57.5	172.1	0	0	0	118.9
868	Q	32	Very low	34.5	Very low	175 Å²	175	141.3 Å²	141.3	82%	0.818	78%	0.781	S	S	*	*			cis	-149.8	173.6	20.8	-160.4	168.4	-84	0	0	113.8
869	L	29	Very low	33.9	Very low	143 Å²	143	142.7 Å²	142.7	75%	0.749	78%	0.776	S	S	*	*			trans	-82.7	163.9	-175.3	-57.5	71.5	0	0	0	115.1
870	S	33.6	Very low	33.6	Very low	130 Å²	130	145.7 Å²	145.7	91%	0.909	78%	0.782	S	S	*	*				-164.6	169	129.8	-83.2	0	0	0	0	113.3
871	L	32.8	Very low	33.1	Very low	154 Å²	154	146.7 Å²	146.7	81%	0.806	78%	0.775	S	S	*	*			trans	-127.8	154.3	-160.5	-164.9	75.9	0	0	0	111.4
872	N	32.3	Very low	32.4	Very low	127 Å²	127	148 Å²	148	68%	0.679	78%	0.776	S	S	*	*				160.7	162.4	129.4	-84.1	-1.1	0	0	0	117.6
873	D	35.8	Very low	32	Very low	153 Å²	153	147 Å²	147	82%	0.818	77%	0.77	S	S	*	*			trans	83.3	150.8	155.5	-59.7	-37.1	0	0	0	121.8
874	L	31.7	Very low	31.3	Very low	168 Å²	168	147.3 Å²	147.3	88%	0.88	77%	0.765	S	S	*	*			trans	-136.5	-159.9	-149.8	-144.9	75.7	0	0	0	111.6
875	P	37	Very low	31	Very low	97 Å²	97	148.4 Å²	148.4	63%	0.63	76%	0.762	S	S	*	*			trans	-106.7	176.2	-133.8	40.6	-24.1	0	0	0	114.3
876	H	33.4	Very low	30.5	Very low	180 Å²	180	148.2 Å²	148.2	83%	0.833	76%	0.76	S	S	*	*			trans	-162.1	175.4	139.8	-106.5	-66.1	0	0	0	112.2
877	Q	26.1	Very low	30.2	Very low	153 Å²	153	148.3 Å²	148.3	72%	0.715	77%	0.765	S	S	*	*			trans	-90.8	159.5	-165.4	-58.5	151.3	-67.6	0	0	113.2
878	H	32.3	Very low	30.1	Very low	193 Å²	193	148 Å²	148	89%	0.894	76%	0.761	S	S	*	*				-163.4	177.9	116.1	-99.7	-58.3	0	0	0	111.4
879	Q	24.7	Very low	30	Very low	157 Å²	157	146.6 Å²	146.6	73%	0.734	76%	0.759	S	S	*	*			trans	-148.6	131.5	-148.1	164.3	-168.2	-6.7	0	0	110.4
880	Y	29.2	Very low	29.9	Very low	232 Å²	232	145.4 Å²	145.4	91%	0.91	75%	0.754	S	S	*	*			trans	-161.6	177	155.7	-97.8	-61.1	0	0	0	111.8
881	H	30.4	Very low	29.9	Very low	151 Å²	151	144.4 Å²	144.4	70%	0.699	74%	0.738	S	S	*	*			trans	-97.1	152.5	-149.3	-93.7	-85	0	0	0	118.4
882	D	27.6	Very low	29.9	Very low	134 Å²	134	140.6 Å²	140.6	72%	0.717	72%	0.718	S	S	*	*			trans	24.4	160.4	134.8	-72.8	-62.5	0	0	0	123.7
883	P	33.5	Very low	30	Very low	100 Å²	100	141.5 Å²	141.5	65%	0.649	72%	0.716	S	S	*	*			cis	-131.2	-162	-15.9	35.1	-14.6	0	0	0	112.8
884	D	26.8	Very low	30.2	Very low	132 Å²	132	138.6 Å²	138.6	71%	0.706	70%	0.699	S	S	*	*			trans	67.3	150.9	172.6	-69.8	-43.4	0	0	0	116
885	Q	26.8	Very low	30.4	Very low	145 Å²	145	136.4 Å²	136.4	68%	0.678	68%	0.683	S	S	*	*			cis	-157	163.3	-13.6	-123.1	165.5	61.9	0	0	110.3
886	L	24.9	Very low	30.6	Very low	134 Å²	134	135.5 Å²	135.5	70%	0.702	68%	0.679	S	S	*	*			trans	49.5	96.8	154.4	-66.9	163.4	0	0	0	119.5
887	S	26.2	Very low	31.6	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	65%	0.647	S	S	*	*			trans	-106.8	99.3	160.9	-167.4	0	0	0	0	111.4	N889	S887-N889 PolarHBondContact O-N 3.38Å
888	M	25.3	Very low	33.4	Very low	138 Å²	138	125.1 Å²	125.1	68%	0.68	64%	0.636	S	S	*	*			trans	-91.9	73.5	-170.4	-80.4	-77.3	-131.5	0	0	113.5	N890	M888-N890 PolarHBondContact O-N 3.23Å
889	N	30.4	Very low	35.3	Very low	147 Å²	147	117.4 Å²	117.4	79%	0.786	60%	0.601	S	S	*	*			trans	-80.7	82.3	173.6	-78.2	-30.9	0	0	0	112.1	S887 D891	S887-N889 PolarHBondContact O-N 3.38Å; N889-D891 VanDerWaalsContact C-N 3.27Å; N889-D891 PolarHBondContact O-N 2.89Å
890	N	27.2	Very low	37.6	Very low	117 Å²	117	114.7 Å²	114.7	63%	0.626	59%	0.591	S	S	*	*			trans	-73.2	72.2	175.5	-77.2	-56.2	0	0	0	112.4	M888 L892	M888-N890 PolarHBondContact O-N 3.23Å; N890-L892 VanDerWaalsContact C-N 3.34Å; N890-L892 PolarHBondContact O-N 2.9Å
891	D	33.9	Very low	40.1	Very low	109 Å²	109	111.1 Å²	111.1	58%	0.583	58%	0.577	S	S	*	*			trans	-84.4	71.8	-176.7	-162.5	23	0	0	0	111.9	N889 K893	N889-D891 VanDerWaalsContact C-N 3.27Å; N889-D891 PolarHBondContact O-N 2.89Å; D891-K893 PolarHBondContact O-N 2.94Å; D891-K893 WeakPolarHBondContact OD1-CG 3.26Å; D891-K893 IonicContact OD1-NZ 2.8Å; D891-K893 PolarHBondContact OD1-NZ 3.18Å; D891-K893 IonicContact OD2-NZ 3.59Å; D891-K893 PolarHBondContact OD2-NZ 3.48Å
892	L	32.1	Very low	42.6	Very low	74 Å²	74	109.1 Å²	109.1	39%	0.387	57%	0.567	S	S	.	*			trans	-74.8	48.1	-178.2	-127	169.7	0	0	0	112.4	N699 A702 L706 N890 I894	N699-L892 HydrophobicContact CB-CD1 4.4Å; N699-L892 WeakPolarHBondContact OD1-CD1 3.31Å; A702-L892 HydrophobicContact CB-CD1 4.39Å; L706-L892 HydrophobicContact CD1-CD2 4.13Å; N890-L892 VanDerWaalsContact C-N 3.34Å; N890-L892 PolarHBondContact O-N 2.9Å; L892-I894 PolarHBondContact O-N 2.89Å; L892-I894 VanDerWaalsContact O-N 3.1Å
893	K	34.6	Very low	45.2	Very low	146 Å²	146	105.1 Å²	105.1	64%	0.635	55%	0.549	S	S	*	.			trans	-58.5	111.8	175.1	-82.2	178.4	172.7	71.8	0	110.2	D891 K895	D891-K893 PolarHBondContact O-N 2.94Å; D891-K893 WeakPolarHBondContact OD1-CG 3.26Å; D891-K893 IonicContact OD1-NZ 2.8Å; D891-K893 PolarHBondContact OD1-NZ 3.18Å; D891-K893 IonicContact OD2-NZ 3.59Å; D891-K893 PolarHBondContact OD2-NZ 3.48Å; K893-K895 PolarHBondContact O-N 2.95Å; K893-K895 VanDerWaalsContact O-N 3.15Å
894	I	39.5	Very low	47.5	Very low	92 Å²	92	102.6 Å²	102.6	47%	0.472	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-59.9	119.1	162	-48.2	170.2	0	0	0	106.1	L845 I847 L892 S896	L845-I894 HydrophobicContact CD2-CB 4.14Å; L845-I894 HydrophobicContact CD2-CD1 4.05Å; L845-I894 HydrophobicContact CD2-CG2 3.5Å; L845-I894 VanDerWaalsContact CD2-CG2 3.5Å; I847-I894 HydrophobicContact CD1-CD1 4.33Å; L892-I894 PolarHBondContact O-N 2.89Å; L892-I894 VanDerWaalsContact O-N 3.1Å; I894-S896 PolarHBondContact O-N 3.26Å; I894-S896 VanDerWaalsContact O-N 3.15Å
895	K	37.3	Very low	50.4	Low	122 Å²	122	96.9 Å²	96.9	53%	0.53	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-64.9	118.7	-172.4	-67.6	-175.1	171.6	-169.9	0	110.1	K893 Y897 N900	K893-K895 PolarHBondContact O-N 2.95Å; K893-K895 VanDerWaalsContact O-N 3.15Å; K895-Y897 WeakPolarHBondContact O-CD2 3.5Å; K895-Y897 PolarHBondContact O-N 3.16Å; K895-N900 PolarHBondContact NZ-OD1 2.66Å; K895-N900 VanDerWaalsContact NZ-OD1 3.09Å
896	S	41.6	Very low	53.3	Low	78 Å²	78	90 Å²	90	55%	0.545	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-53.6	130.7	161.8	51.6	0	0	0	0	109.1	I894	I894-S896 PolarHBondContact O-N 3.26Å; I894-S896 VanDerWaalsContact O-N 3.15Å
897	Y	53.9	Low	56.1	Low	40 Å²	40	85.2 Å²	85.2	16%	0.157	44%	0.441	C	S	.	.	S	Bend	trans	-81.2	154.9	178.9	-55.3	-124.9	0	0	0	108.1	L842 K895 L899 F921	L842-Y897 WeakPolarHBondContact O-CD2 3.48Å; L842-Y897 WeakPolarHBondContact O-CE2 3.34Å; K895-Y897 WeakPolarHBondContact O-CD2 3.5Å; K895-Y897 PolarHBondContact O-N 3.16Å; Y897-L899 HydrophobicContact CD1-CD1 3.92Å; Y897-L899 HydrophobicContact CD1-CD2 3.82Å; Y897-L899 HydrophobicContact CD1-CG 3.49Å; Y897-L899 VanDerWaalsContact CD1-CG 3.49Å; Y897-L899 HydrophobicContact CE1-CD1 3.79Å; Y897-L899 HydrophobicContact CE1-CD2 3.62Å; Y897-L899 HydrophobicContact CE1-CG 3.67Å; Y897-L899 HydrophobicContact CG-CG 4.43Å; Y897-F921 HydrophobicContact CD1-CE1 4.33Å; Y897-F921 HydrophobicContact CD1-CE2 4.27Å; Y897-F921 AromaticContact CD1-CZ 3.67Å; Y897-F921 HydrophobicContact CD1-CZ 3.67Å; Y897-F921 HydrophobicContact CE1-CE1 4.27Å; Y897-F921 AromaticContact CE1-CE2 3.6Å; Y897-F921 HydrophobicContact CE1-CE2 3.6Å; Y897-F921 AromaticContact CE1-CZ 3.22Å; Y897-F921 HydrophobicContact CE1-CZ 3.22Å
898	P	63.2	Low	58.8	Low	75 Å²	75	81.9 Å²	81.9	49%	0.487	41%	0.414	S	S	.	.	S	Bend	cis	-65.7	151.7	15.5	26.4	-36.4	0	0	0	115.4	Y905	P898-Y905 WeakPolarHBondContact CA-OH 3.32Å; P898-Y905 VanDerWaalsContact CB-OH 3.27Å; P898-Y905 WeakPolarHBondContact CB-OH 3.39Å
899	L	72	Confident	61.3	Low	32 Å²	32	77 Å²	77	17%	0.168	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-71.8	144	173.3	-67.8	162.3	0	0	0	111	Y897 Y901 Q904 Y905 F921	Y897-L899 HydrophobicContact CD1-CD1 3.92Å; Y897-L899 HydrophobicContact CD1-CD2 3.82Å; Y897-L899 HydrophobicContact CD1-CG 3.49Å; Y897-L899 VanDerWaalsContact CD1-CG 3.49Å; Y897-L899 HydrophobicContact CE1-CD1 3.79Å; Y897-L899 HydrophobicContact CE1-CD2 3.62Å; Y897-L899 HydrophobicContact CE1-CG 3.67Å; Y897-L899 HydrophobicContact CG-CG 4.43Å; L899-Y901 PolarHBondContact O-N 3.47Å; L899-Y901 VanDerWaalsContact O-N 3.13Å; L899-Q904 HydrophobicContact CB-CB 3.91Å; L899-Q904 HydrophobicContact CD1-CB 3.76Å; L899-Q904 HydrophobicContact CD2-CB 4.27Å; L899-Q904 HydrophobicContact CG-CB 4.18Å; L899-Y905 HydrophobicContact CB-CD2 4.28Å; L899-Y905 HydrophobicContact CB-CE2 3.78Å; L899-Y905 HydrophobicContact CD1-CD1 3.93Å; L899-Y905 HydrophobicContact CD1-CD2 4.13Å; L899-Y905 HydrophobicContact CD1-CE1 4.07Å; L899-Y905 HydrophobicContact CD1-CE2 4.29Å; L899-Y905 HydrophobicContact CD1-CG 3.96Å; L899-Y905 HydrophobicContact CG-CE1 4.46Å; L899-Y905 HydrophobicContact CG-CE2 4.49Å; L899-Y905 PolarHBondContact N-OH 2.98Å; L899-F921 HydrophobicContact CD1-CD2 4.47Å; L899-F921 HydrophobicContact CD1-CE2 4.11Å
900	N	74.2	Confident	63.7	Low	99 Å²	99	72.1 Å²	72.1	53%	0.529	36%	0.363	S	S	.	.	S	Bend	trans	-57.2	-27.4	-177.3	-67.9	85.1	0	0	0	114.3	K895 Q904	K895-N900 PolarHBondContact NZ-OD1 2.66Å; K895-N900 VanDerWaalsContact NZ-OD1 3.09Å; N900-Q904 VanDerWaalsContact N-OE1 3.14Å
901	Y	80.4	Confident	66.4	Low	157 Å²	157	66.5 Å²	66.5	62%	0.616	33%	0.334	S	S	*	.	S	Bend	trans	-139.4	140.7	-177.4	-50.8	-71	0	0	0	111.7	L899 S903 Q904	L899-Y901 PolarHBondContact O-N 3.47Å; L899-Y901 VanDerWaalsContact O-N 3.13Å; Y901-S903 PolarHBondContact O-N 2.98Å; Y901-S903 VanDerWaalsContact O-N 3.15Å; Y901-Q904 HydrophobicContact CD2-CG 4.43Å; Y901-Q904 VanDerWaalsContact N-OE1 3.11Å; Y901-Q904 WeakPolarHBondContact O-CB 3.12Å; Y901-Q904 PolarHBondContact O-N 3.21Å
902	F	84.1	Confident	68.6	Low	110 Å²	110	64.6 Å²	64.6	48%	0.482	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-53	-35.9	178.6	-68.1	-55.3	0	0	0	114.2	Y820 A825 Q904 Y905	Y820-F902 HydrophobicContact CD2-CB 4.19Å; Y820-F902 HydrophobicContact CE1-CB 4.14Å; Y820-F902 HydrophobicContact CE2-CB 3.63Å; Y820-F902 HydrophobicContact CE2-CG 4.45Å; A825-F902 HydrophobicContact CB-CB 3.8Å; A825-F902 HydrophobicContact CB-CD1 3.8Å; A825-F902 HydrophobicContact CB-CG 4.08Å; A825-F902 VanDerWaalsContact O-CD1 3.27Å; A825-F902 WeakPolarHBondContact O-CD1 3.04Å; A825-F902 WeakPolarHBondContact O-CE1 3.4Å; F902-Q904 PolarHBondContact O-N 2.89Å; F902-Y905 WeakPolarHBondContact O-CD2 3.46Å; F902-Y905 PolarHBondContact O-N 2.86Å
903	S	82.4	Confident	71.2	Confident	49 Å²	49	66.3 Å²	66.3	34%	0.343	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-62.7	-24.8	177	54.7	0	0	0	0	114	Y901 Y905 S906	Y901-S903 PolarHBondContact O-N 2.98Å; Y901-S903 VanDerWaalsContact O-N 3.15Å; S903-Y905 VanDerWaalsContact C-N 3.29Å; S903-Y905 PolarHBondContact O-N 3.22Å; S903-S906 PolarHBondContact O-N 3.17Å; S903-S906 VanDerWaalsContact O-N 3.08Å
904	Q	81.6	Confident	73.8	Confident	47 Å²	47	61.8 Å²	61.8	22%	0.22	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-70.9	-24.4	-178.9	-63	177.2	-46.7	0	0	112.7	L899 N900 Y901 F902 S906 N907	L899-Q904 HydrophobicContact CB-CB 3.91Å; L899-Q904 HydrophobicContact CD1-CB 3.76Å; L899-Q904 HydrophobicContact CD2-CB 4.27Å; L899-Q904 HydrophobicContact CG-CB 4.18Å; N900-Q904 VanDerWaalsContact N-OE1 3.14Å; Y901-Q904 HydrophobicContact CD2-CG 4.43Å; Y901-Q904 VanDerWaalsContact N-OE1 3.11Å; Y901-Q904 WeakPolarHBondContact O-CB 3.12Å; Y901-Q904 PolarHBondContact O-N 3.21Å; F902-Q904 PolarHBondContact O-N 2.89Å; Q904-S906 PolarHBondContact O-N 3.35Å; Q904-N907 WeakPolarHBondContact O-CB 3.35Å; Q904-N907 PolarHBondContact O-N 3.14Å
905	Y	85.9	Confident	76	Confident	13 Å²	13	61.9 Å²	61.9	5%	0.051	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-66.2	-19.3	172.2	-64.8	-90.5	0	0	0	112.1	L833 P898 L899 F902 S903 F921 V922	L833-Y905 HydrophobicContact CD2-CD1 4.49Å; L833-Y905 HydrophobicContact CD2-CE1 3.87Å; P898-Y905 WeakPolarHBondContact CA-OH 3.32Å; P898-Y905 VanDerWaalsContact CB-OH 3.27Å; P898-Y905 WeakPolarHBondContact CB-OH 3.39Å; L899-Y905 HydrophobicContact CB-CD2 4.28Å; L899-Y905 HydrophobicContact CB-CE2 3.78Å; L899-Y905 HydrophobicContact CD1-CD1 3.93Å; L899-Y905 HydrophobicContact CD1-CD2 4.13Å; L899-Y905 HydrophobicContact CD1-CE1 4.07Å; L899-Y905 HydrophobicContact CD1-CE2 4.29Å; L899-Y905 HydrophobicContact CD1-CG 3.96Å; L899-Y905 HydrophobicContact CG-CE1 4.46Å; L899-Y905 HydrophobicContact CG-CE2 4.49Å; L899-Y905 PolarHBondContact N-OH 2.98Å; F902-Y905 WeakPolarHBondContact O-CD2 3.46Å; F902-Y905 PolarHBondContact O-N 2.86Å; S903-Y905 VanDerWaalsContact C-N 3.29Å; S903-Y905 PolarHBondContact O-N 3.22Å; Y905-F921 HydrophobicContact CD1-CB 4.13Å; Y905-F921 HydrophobicContact CD1-CD1 4.19Å; Y905-F921 HydrophobicContact CD1-CD2 4.11Å; Y905-F921 AromaticContact CD1-CG 3.86Å; Y905-F921 HydrophobicContact CD1-CG 3.86Å; Y905-V922 WeakPolarHBondContact O-CG2 3.4Å
906	S	88.1	Confident	78.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-96.1	8.3	175.4	-61.5	0	0	0	0	114.5	D821 S903 Q904 Y919	D821-S906 WeakPolarHBondContact CB-OG 3.35Å; D821-S906 PolarHBondContact N-OG 2.92Å; S903-S906 PolarHBondContact O-N 3.17Å; S903-S906 VanDerWaalsContact O-N 3.08Å; Q904-S906 PolarHBondContact O-N 3.35Å; S906-Y919 WeakPolarHBondContact O-CD1 3.45Å; S906-Y919 WeakPolarHBondContact O-CE1 3.08Å
907	N	83.8	Confident	80.1	Confident	34 Å²	34	59.8 Å²	59.8	18%	0.182	31%	0.31	C	S	.	.	S	Bend	trans	-81.2	152.9	176.3	-75.9	-23.1	0	0	0	112.1	Q904 I909	Q904-N907 WeakPolarHBondContact O-CB 3.35Å; Q904-N907 PolarHBondContact O-N 3.14Å; N907-I909 HydrophobicContact CB-CG2 4.36Å
908	L	82.7	Confident	81.6	Confident	41 Å²	41	59.8 Å²	59.8	22%	0.215	31%	0.313	C	S	.	.			trans	-76.7	120	168.1	-172.8	72.1	0	0	0	108.2	L709 V917 Y919	L709-L908 HydrophobicContact CB-CB 4.3Å; L709-L908 HydrophobicContact CB-CD2 4.23Å; L709-L908 HydrophobicContact CB-CG 4.39Å; L709-L908 WeakPolarHBondContact CB-O 3.45Å; L709-L908 HydrophobicContact CD2-CD2 4.26Å; L908-V917 HydrophobicContact CD1-CG1 4.05Å; L908-V917 HydrophobicContact CD2-CG1 3.92Å; L908-V917 HydrophobicContact CG-CG1 3.71Å; L908-Y919 HydrophobicContact CB-CD1 4.24Å; L908-Y919 HydrophobicContact CB-CE1 3.79Å; L908-Y919 HydrophobicContact CD1-CD1 4.48Å; L908-Y919 HydrophobicContact CD1-CD2 3.93Å; L908-Y919 HydrophobicContact CD1-CE1 4.35Å; L908-Y919 HydrophobicContact CD1-CE2 3.77Å; L908-Y919 HydrophobicContact CD1-CG 4.28Å
909	I	78.3	Confident	82.8	Confident	34 Å²	34	58 Å²	58	17%	0.174	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	157.5	-176.2	52	146.8	0	0	0	111.8	L842 N907 V917 D918 H920 F921	L842-I909 HydrophobicContact CD1-CD1 4.06Å; N907-I909 HydrophobicContact CB-CG2 4.36Å; I909-V917 WeakPolarHBondContact O-CA 3.28Å; I909-D918 PolarHBondContact N-O 2.81Å; I909-D918 PolarHBondContact O-N 3.07Å; I909-D918 VanDerWaalsContact O-O 3.1Å; I909-H920 HydrophobicContact CD1-CB 4.22Å; I909-H920 HydrophobicContact CG1-CB 4.47Å; I909-F921 HydrophobicContact CD1-CD2 4.33Å; I909-F921 HydrophobicContact CD1-CE2 3.49Å; I909-F921 VanDerWaalsContact CD1-CE2 3.49Å; I909-F921 HydrophobicContact CD1-CZ 4.06Å; I909-F921 HydrophobicContact CG1-CE2 4.45Å
910	I	81.5	Confident	83.5	Confident	45 Å²	45	56.6 Å²	56.6	23%	0.231	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.8	176.9	-44.9	-164.9	0	0	0	109.1	L705 L709 P912 V917	L705-I910 HydrophobicContact CB-CD1 4.08Å; L705-I910 HydrophobicContact CD2-CD1 3.66Å; L705-I910 HydrophobicContact CG-CD1 4.5Å; L705-I910 VanDerWaalsContact O-CD1 3.22Å; L705-I910 WeakPolarHBondContact O-CD1 3.44Å; L709-I910 HydrophobicContact CD1-CD1 4.1Å; L709-I910 HydrophobicContact CD1-CG1 3.58Å; I910-P912 WeakPolarHBondContact O-CD 3.42Å; I910-V917 HydrophobicContact CD1-CG2 4.24Å; I910-V917 HydrophobicContact CG1-CG2 4.03Å; I910-V917 HydrophobicContact CG2-CG2 4.48Å
911	C	83.9	Confident	84.2	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.			trans	-70.8	122.9	171.7	-179.1	0	0	0	0	110.9	C835 Y913 C914 S915 K916	C835-C911 HydrophobicContact CB-CB 4.38Å; C835-C911 PolarHBondContact SG-SG 2.91Å; C911-Y913 PolarHBondContact O-N 3.41Å; C911-Y913 PolarHBondContact SG-N 3.24Å; C911-Y913 VanDerWaalsContact SG-N 3.37Å; C911-C914 VanDerWaalsContact CB-SG 3.58Å; C911-S915 VanDerWaalsContact O-CA 3.24Å; C911-S915 WeakPolarHBondContact O-CA 3.37Å; C911-S915 PolarHBondContact O-N 2.81Å; C911-K916 PolarHBondContact N-O 3.18Å
912	P	79.7	Confident	84.8	Confident	68 Å²	68	44.9 Å²	44.9	44%	0.442	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.7	178.2	29.1	-34.2	0	0	0	113.5	L842 L845 I910	L842-P912 HydrophobicContact CD2-CG 4.26Å; L845-P912 HydrophobicContact CD1-CG 3.8Å; L845-P912 HydrophobicContact CD2-CB 4.1Å; L845-P912 HydrophobicContact CD2-CG 3.77Å; L845-P912 HydrophobicContact CG-CG 4.36Å; I910-P912 WeakPolarHBondContact O-CD 3.42Å
913	Y	87	Confident	85.1	Confident	111 Å²	111	40.5 Å²	40.5	44%	0.435	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-20.5	-177.8	-55.4	-78.8	0	0	0	114.4	S840 R841 L842 L845 C911	S840-Y913 VanDerWaalsContact CB-CG 3.45Å; S840-Y913 WeakPolarHBondContact OG-CB 3.48Å; R841-Y913 VanDerWaalsContact O-CE2 3.23Å; R841-Y913 WeakPolarHBondContact O-CE2 3.44Å; R841-Y913 PolarHBondContact O-OH 3.27Å; L842-Y913 HydrophobicContact CD2-CD2 4.15Å; L842-Y913 HydrophobicContact CD2-CE2 4.19Å; L845-Y913 HydrophobicContact CD1-CE2 3.99Å; C911-Y913 PolarHBondContact O-N 3.41Å; C911-Y913 PolarHBondContact SG-N 3.24Å; C911-Y913 VanDerWaalsContact SG-N 3.37Å
914	C	89.4	Confident	85.5	Confident	50 Å²	50	41.2 Å²	41.2	34%	0.338	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141	5.3	-179.1	69.5	0	0	0	0	114.8	C838 C911 K916	C838-C914 HydrophobicContact CB-CB 3.83Å; C911-C914 VanDerWaalsContact CB-SG 3.58Å; C914-K916 PolarHBondContact O-N 3.41Å
915	S	84.9	Confident	86	Confident	95 Å²	95	39.1 Å²	39.1	66%	0.664	21%	0.209	S	C	*	.			trans	56.9	2.3	-179	-54.5	0	0	0	0	116.7	C911 V917	C911-S915 VanDerWaalsContact O-CA 3.24Å; C911-S915 WeakPolarHBondContact O-CA 3.37Å; C911-S915 PolarHBondContact O-N 2.81Å; S915-V917 PolarHBondContact O-N 3.17Å
916	K	82.9	Confident	86	Confident	90 Å²	90	40.8 Å²	40.8	39%	0.391	22%	0.217	S	C	.	.			trans	-63	132.4	174.1	-168.2	-170.2	-179	-166.3	0	109.5	C911 C914 D918 H920	C911-K916 PolarHBondContact N-O 3.18Å; C914-K916 PolarHBondContact O-N 3.41Å; K916-D918 HydrophobicContact CD-CB 4.3Å; K916-D918 VanDerWaalsContact CE-OD2 3.26Å; K916-D918 WeakPolarHBondContact CE-OD2 3.27Å; K916-D918 IonicContact NZ-OD2 2.66Å; K916-D918 PolarHBondContact NZ-OD2 3.48Å; K916-H920 WeakPolarHBondContact CB-NE2 3.26Å; K916-H920 PolarHBondContact O-NE2 3.34Å
917	V	81.8	Confident	86	Confident	65 Å²	65	45.7 Å²	45.7	39%	0.394	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.1	169.6	-170.9	0	0	0	0	108.5	L709 L908 I909 I910 S915	L709-V917 HydrophobicContact CD1-CG1 3.64Å; L709-V917 HydrophobicContact CD2-CG1 4.16Å; L908-V917 HydrophobicContact CD1-CG1 4.05Å; L908-V917 HydrophobicContact CD2-CG1 3.92Å; L908-V917 HydrophobicContact CG-CG1 3.71Å; I909-V917 WeakPolarHBondContact O-CA 3.28Å; I910-V917 HydrophobicContact CD1-CG2 4.24Å; I910-V917 HydrophobicContact CG1-CG2 4.03Å; I910-V917 HydrophobicContact CG2-CG2 4.48Å; S915-V917 PolarHBondContact O-N 3.17Å
918	D	85.5	Confident	86.3	Confident	40 Å²	40	45.9 Å²	45.9	21%	0.214	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	168.6	-175.9	-148.4	-17.5	0	0	0	112.8	I909 K916 H920	I909-D918 PolarHBondContact N-O 2.81Å; I909-D918 PolarHBondContact O-N 3.07Å; I909-D918 VanDerWaalsContact O-O 3.1Å; K916-D918 HydrophobicContact CD-CB 4.3Å; K916-D918 VanDerWaalsContact CE-OD2 3.26Å; K916-D918 WeakPolarHBondContact CE-OD2 3.27Å; K916-D918 IonicContact NZ-OD2 2.66Å; K916-D918 PolarHBondContact NZ-OD2 3.48Å; D918-H920 WeakPolarHBondContact CB-CE1 3.31Å; D918-H920 WeakPolarHBondContact CB-ND1 3.42Å; D918-H920 WeakPolarHBondContact CB-NE2 3.41Å; D918-H920 PolarHBondContact O-N 2.91Å; D918-H920 IonicContact OD2-CE1 2.71Å; D918-H920 IonicContact OD2-NE2 3.52Å
919	Y	88.3	Confident	86.6	Confident	38 Å²	38	44.2 Å²	44.2	15%	0.149	23%	0.233	C	C	.	.			trans	-82.9	60.6	171	-65.8	-79.4	0	0	0	110.3	P631 R771 S906 L908 F921 V922	P631-Y919 HydrophobicContact CB-CD1 3.68Å; P631-Y919 HydrophobicContact CB-CD2 4.05Å; P631-Y919 HydrophobicContact CB-CE1 3.47Å; P631-Y919 VanDerWaalsContact CB-CE1 3.47Å; P631-Y919 HydrophobicContact CB-CE2 3.87Å; P631-Y919 HydrophobicContact CB-CG 3.96Å; P631-Y919 HydrophobicContact CG-CD1 3.52Å; P631-Y919 HydrophobicContact CG-CD2 4.37Å; P631-Y919 HydrophobicContact CG-CE1 3.82Å; P631-Y919 HydrophobicContact CG-CG 3.82Å; R771-Y919 PolarHBondContact NH1-OH 3.09Å; R771-Y919 PolarHBondContact NH2-OH 3Å; S906-Y919 WeakPolarHBondContact O-CD1 3.45Å; S906-Y919 WeakPolarHBondContact O-CE1 3.08Å; L908-Y919 HydrophobicContact CB-CD1 4.24Å; L908-Y919 HydrophobicContact CB-CE1 3.79Å; L908-Y919 HydrophobicContact CD1-CD1 4.48Å; L908-Y919 HydrophobicContact CD1-CD2 3.93Å; L908-Y919 HydrophobicContact CD1-CE1 4.35Å; L908-Y919 HydrophobicContact CD1-CE2 3.77Å; L908-Y919 HydrophobicContact CD1-CG 4.28Å; Y919-F921 VanDerWaalsContact C-N 3.28Å; Y919-F921 PolarHBondContact O-N 3.34Å; Y919-V922 WeakPolarHBondContact O-CB 3.41Å; Y919-V922 PolarHBondContact O-N 3.43Å
920	H	88.1	Confident	87.1	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.009	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.1	-159	-71.9	-52.4	0	0	0	117.2	C835 G836 L842 I909 K916 D918 K923	C835-H920 VanDerWaalsContact SG-CE1 3.6Å; C835-H920 PolarHBondContact SG-ND1 2.99Å; C835-H920 VanDerWaalsContact SG-ND1 3.36Å; C835-H920 PolarHBondContact SG-NE2 3.27Å; C835-H920 VanDerWaalsContact SG-NE2 3.4Å; G836-H920 PolarHBondContact N-CE1 2.85Å; L842-H920 HydrophobicContact CD1-CB 3.57Å; I909-H920 HydrophobicContact CD1-CB 4.22Å; I909-H920 HydrophobicContact CG1-CB 4.47Å; K916-H920 WeakPolarHBondContact CB-NE2 3.26Å; K916-H920 PolarHBondContact O-NE2 3.34Å; D918-H920 WeakPolarHBondContact CB-CE1 3.31Å; D918-H920 WeakPolarHBondContact CB-ND1 3.42Å; D918-H920 WeakPolarHBondContact CB-NE2 3.41Å; D918-H920 PolarHBondContact O-N 2.91Å; D918-H920 IonicContact OD2-CE1 2.71Å; D918-H920 IonicContact OD2-NE2 3.52Å; H920-K923 WeakPolarHBondContact O-CE 3.22Å; H920-K923 PolarHBondContact O-NZ 2.8Å
921	F	88.6	Confident	87.3	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.5	178.8	-51	-72.5	0	0	0	113.8	A824 L833 L842 Y897 L899 Y905 I909 Y919	A824-F921 HydrophobicContact CB-CB 4.37Å; L833-F921 HydrophobicContact CD2-CD1 4.14Å; L833-F921 HydrophobicContact CD2-CE1 4.25Å; L842-F921 HydrophobicContact CB-CE1 3.96Å; L842-F921 HydrophobicContact CB-CZ 3.85Å; L842-F921 HydrophobicContact CD1-CE1 3.74Å; L842-F921 HydrophobicContact CD1-CE2 4.24Å; L842-F921 HydrophobicContact CD1-CZ 3.48Å; L842-F921 VanDerWaalsContact CD1-CZ 3.48Å; L842-F921 HydrophobicContact CG-CE1 4.39Å; L842-F921 HydrophobicContact CG-CZ 4.3Å; Y897-F921 HydrophobicContact CD1-CE1 4.33Å; Y897-F921 HydrophobicContact CD1-CE2 4.27Å; Y897-F921 AromaticContact CD1-CZ 3.67Å; Y897-F921 HydrophobicContact CD1-CZ 3.67Å; Y897-F921 HydrophobicContact CE1-CE1 4.27Å; Y897-F921 AromaticContact CE1-CE2 3.6Å; Y897-F921 HydrophobicContact CE1-CE2 3.6Å; Y897-F921 AromaticContact CE1-CZ 3.22Å; Y897-F921 HydrophobicContact CE1-CZ 3.22Å; L899-F921 HydrophobicContact CD1-CD2 4.47Å; L899-F921 HydrophobicContact CD1-CE2 4.11Å; Y905-F921 HydrophobicContact CD1-CB 4.13Å; Y905-F921 HydrophobicContact CD1-CD1 4.19Å; Y905-F921 HydrophobicContact CD1-CD2 4.11Å; Y905-F921 AromaticContact CD1-CG 3.86Å; Y905-F921 HydrophobicContact CD1-CG 3.86Å; I909-F921 HydrophobicContact CD1-CD2 4.33Å; I909-F921 HydrophobicContact CD1-CE2 3.49Å; I909-F921 VanDerWaalsContact CD1-CE2 3.49Å; I909-F921 HydrophobicContact CD1-CZ 4.06Å; I909-F921 HydrophobicContact CG1-CE2 4.45Å; Y919-F921 VanDerWaalsContact C-N 3.28Å; Y919-F921 PolarHBondContact O-N 3.34Å
922	V	91.4	Very high	87	Confident	9 Å²	9	50.6 Å²	50.6	6%	0.055	27%	0.265	C	S	.	.			trans	-79.7	121.8	179.5	-170.9	0	0	0	0	107.9	P631 L632 D821 A824 Y905 Y919	P631-V922 HydrophobicContact CG-CB 4.4Å; P631-V922 HydrophobicContact CG-CG1 3.99Å; P631-V922 HydrophobicContact CG-CG2 3.88Å; L632-V922 HydrophobicContact CB-CG1 4.15Å; L632-V922 HydrophobicContact CD1-CB 4.2Å; L632-V922 HydrophobicContact CD1-CG1 3.69Å; L632-V922 HydrophobicContact CG-CG1 3.78Å; D821-V922 HydrophobicContact CB-CG1 4.25Å; D821-V922 WeakPolarHBondContact OD2-CG1 3.36Å; A824-V922 HydrophobicContact CB-CG2 4.15Å; Y905-V922 WeakPolarHBondContact O-CG2 3.4Å; Y919-V922 WeakPolarHBondContact O-CB 3.41Å; Y919-V922 PolarHBondContact O-N 3.43Å
923	K	91.6	Very high	87.4	Confident	18 Å²	18	49.7 Å²	49.7	8%	0.078	26%	0.256	C	S	.	.			trans	-122.8	147.1	-176.6	-46.7	-61.7	-171.6	-173.5	0	109.2	H634 T834 H920 F925 F928	H634-K923 PolarHBondContact CE1-O 3.3Å; H634-K923 VanDerWaalsContact CE1-O 3.23Å; H634-K923 PolarHBondContact ND1-O 2.94Å; T834-K923 PolarHBondContact O-NZ 3.39Å; H920-K923 WeakPolarHBondContact O-CE 3.22Å; H920-K923 PolarHBondContact O-NZ 2.8Å; K923-F925 PolarHBondContact O-N 3.41Å; K923-F928 HydrophobicContact CB-CB 4.1Å; K923-F928 HydrophobicContact CB-CD1 4.09Å; K923-F928 HydrophobicContact CB-CD2 3.49Å; K923-F928 VanDerWaalsContact CB-CD2 3.49Å; K923-F928 HydrophobicContact CB-CE1 4.41Å; K923-F928 HydrophobicContact CB-CE2 3.88Å; K923-F928 HydrophobicContact CB-CG 3.61Å; K923-F928 HydrophobicContact CB-CZ 4.32Å; K923-F928 HydrophobicContact CD-CD1 4.49Å; K923-F928 HydrophobicContact CD-CD2 4.35Å; K923-F928 HydrophobicContact CD-CE1 3.97Å; K923-F928 HydrophobicContact CD-CE2 3.83Å; K923-F928 HydrophobicContact CD-CZ 3.63Å; K923-F928 HydrophobicContact CG-CD1 3.76Å; K923-F928 HydrophobicContact CG-CD2 3.88Å; K923-F928 HydrophobicContact CG-CE1 3.73Å; K923-F928 HydrophobicContact CG-CE2 3.87Å; K923-F928 HydrophobicContact CG-CG 3.83Å; K923-F928 HydrophobicContact CG-CZ 3.8Å
924	L	91.1	Very high	87.4	Confident	64 Å²	64	46.5 Å²	46.5	34%	0.335	25%	0.247	S	C	.	.			trans	-63.4	139.2	173.2	-64.9	178.4	0	0	0	109.6	L632 E926 D927 F928	L632-L924 HydrophobicContact CB-CD2 4.25Å; L632-L924 HydrophobicContact CD1-CD2 4.24Å; L924-E926 VanDerWaalsContact C-N 3.31Å; L924-E926 PolarHBondContact O-N 2.75Å; L924-D927 HydrophobicContact CB-CB 4.29Å; L924-D927 PolarHBondContact O-N 2.97Å; L924-F928 PolarHBondContact O-N 3.15Å
925	F	91.1	Very high	87.3	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-44.3	-175.2	177.1	-109.1	0	0	0	110.6	L608 A609 H634 I798 F823 K923 D927 F928 Y929 I931	L608-F925 HydrophobicContact CD1-CD1 4.21Å; L608-F925 HydrophobicContact CD2-CB 4.24Å; L608-F925 HydrophobicContact CD2-CD1 4.45Å; L608-F925 HydrophobicContact CD2-CD2 4.47Å; L608-F925 HydrophobicContact CD2-CG 4.15Å; L608-F925 HydrophobicContact CG-CD1 3.91Å; L608-F925 HydrophobicContact CG-CE1 4.29Å; L608-F925 HydrophobicContact CG-CG 4.12Å; L608-F925 VanDerWaalsContact O-CE1 3.29Å; L608-F925 WeakPolarHBondContact O-CE1 3.22Å; A609-F925 HydrophobicContact CB-CE1 4.48Å; A609-F925 HydrophobicContact CB-CZ 3.94Å; H634-F925 HydrophobicContact CB-CB 3.94Å; H634-F925 PolarHBondContact ND1-N 3.18Å; I798-F925 HydrophobicContact CD1-CE2 4.28Å; I798-F925 HydrophobicContact CD1-CZ 4.4Å; I798-F925 HydrophobicContact CG2-CE2 4.04Å; I798-F925 HydrophobicContact CG2-CZ 4.45Å; F823-F925 HydrophobicContact CD2-CD2 4.35Å; F823-F925 AromaticContact CE1-CD2 3.98Å; F823-F925 HydrophobicContact CE1-CD2 3.98Å; F823-F925 AromaticContact CE1-CE2 3.82Å; F823-F925 HydrophobicContact CE1-CE2 3.82Å; F823-F925 AromaticContact CE2-CD2 3.71Å; F823-F925 HydrophobicContact CE2-CD2 3.71Å; F823-F925 HydrophobicContact CE2-CE2 4.19Å; F823-F925 AromaticContact CZ-CD2 3.48Å; F823-F925 HydrophobicContact CZ-CD2 3.48Å; F823-F925 VanDerWaalsContact CZ-CD2 3.48Å; F823-F925 AromaticContact CZ-CE2 3.49Å; F823-F925 HydrophobicContact CZ-CE2 3.49Å; F823-F925 VanDerWaalsContact CZ-CE2 3.49Å; K923-F925 PolarHBondContact O-N 3.41Å; F925-D927 VanDerWaalsContact C-N 3.26Å; F925-D927 PolarHBondContact O-N 3.03Å; F925-F928 PolarHBondContact O-N 2.99Å; F925-Y929 AromaticContact CD2-CD2 3.88Å; F925-Y929 HydrophobicContact CD2-CD2 3.88Å; F925-Y929 HydrophobicContact CD2-CG 4.12Å; F925-Y929 HydrophobicContact CE2-CD2 4.32Å; F925-Y929 HydrophobicContact CE2-CG 4.1Å; F925-Y929 PolarHBondContact O-N 3.31Å; F925-I931 HydrophobicContact CE1-CD1 4.15Å; F925-I931 HydrophobicContact CE1-CG1 4.22Å; F925-I931 HydrophobicContact CZ-CG1 4.16Å
926	E	86.8	Confident	87.4	Confident	48 Å²	48	43.4 Å²	43.4	22%	0.224	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-29.3	177.8	-52.3	177.5	143.5	0	0	113.3	R635 S636 N637 K801 L924	R635-E926 WeakPolarHBondContact CB-OE1 3.24Å; R635-E926 VanDerWaalsContact O-CG 3.24Å; R635-E926 WeakPolarHBondContact O-CG 3.4Å; S636-E926 WeakPolarHBondContact CA-OE1 3.3Å; S636-E926 PolarHBondContact N-OE1 3.2Å; N637-E926 HydrophobicContact CB-CB 4.37Å; N637-E926 HydrophobicContact CB-CG 4.16Å; N637-E926 PolarHBondContact N-OE1 3.04Å; K801-E926 PolarHBondContact NZ-O 3.37Å; L924-E926 VanDerWaalsContact C-N 3.31Å; L924-E926 PolarHBondContact O-N 2.75Å
927	D	87.4	Confident	87.7	Confident	103 Å²	103	40.5 Å²	40.5	55%	0.551	21%	0.206	S	C	*	.	H	α-helix	trans	-83.6	-37.3	-178.2	-72.3	-25.8	0	0	0	112.5	K801 L924 F925	K801-D927 WeakPolarHBondContact CD-O 3.22Å; L924-D927 HydrophobicContact CB-CB 4.29Å; L924-D927 PolarHBondContact O-N 2.97Å; F925-D927 VanDerWaalsContact C-N 3.26Å; F925-D927 PolarHBondContact O-N 3.03Å
928	F	89.8	Confident	88.1	Confident	38 Å²	38	38.9 Å²	38.9	17%	0.167	19%	0.193	C	C	.	.	H	α-helix	trans	-107	-19	-170.1	-87.7	-113.5	0	0	0	114.6	C800 K801 I802 H832 K923 L924 F925	C800-F928 CarbonylContact C-O 3.52Å; C800-F928 WeakPolarHBondContact CA-O 3.42Å; K801-F928 PolarHBondContact N-O 2.96Å; I802-F928 HydrophobicContact CD1-CD1 3.65Å; I802-F928 HydrophobicContact CD1-CE1 3.33Å; I802-F928 HydrophobicContact CD1-CG 4.48Å; I802-F928 HydrophobicContact CD1-CZ 3.91Å; H832-F928 AromaticContact CE1-CD1 3.72Å; H832-F928 AromaticContact NE2-CD1 3.6Å; K923-F928 HydrophobicContact CB-CB 4.1Å; K923-F928 HydrophobicContact CB-CD1 4.09Å; K923-F928 HydrophobicContact CB-CD2 3.49Å; K923-F928 VanDerWaalsContact CB-CD2 3.49Å; K923-F928 HydrophobicContact CB-CE1 4.41Å; K923-F928 HydrophobicContact CB-CE2 3.88Å; K923-F928 HydrophobicContact CB-CG 3.61Å; K923-F928 HydrophobicContact CB-CZ 4.32Å; K923-F928 HydrophobicContact CD-CD1 4.49Å; K923-F928 HydrophobicContact CD-CD2 4.35Å; K923-F928 HydrophobicContact CD-CE1 3.97Å; K923-F928 HydrophobicContact CD-CE2 3.83Å; K923-F928 HydrophobicContact CD-CZ 3.63Å; K923-F928 HydrophobicContact CG-CD1 3.76Å; K923-F928 HydrophobicContact CG-CD2 3.88Å; K923-F928 HydrophobicContact CG-CE1 3.73Å; K923-F928 HydrophobicContact CG-CE2 3.87Å; K923-F928 HydrophobicContact CG-CG 3.83Å; K923-F928 HydrophobicContact CG-CZ 3.8Å; L924-F928 PolarHBondContact O-N 3.15Å; F925-F928 PolarHBondContact O-N 2.99Å
929	Y	90.6	Very high	88.3	Confident	6 Å²	6	38.8 Å²	38.8	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.3	-178.5	-61.6	-86	0	0	0	112.3	I798 R799 C800 K801 W807 F823 H832 F925	I798-Y929 HydrophobicContact CG2-CD1 3.65Å; I798-Y929 HydrophobicContact CG2-CE1 4.49Å; I798-Y929 HydrophobicContact CG2-CG 4.05Å; R799-Y929 CarbonylContact O-C 3.57Å; R799-Y929 VanDerWaalsContact O-CA 3.25Å; R799-Y929 WeakPolarHBondContact O-CA 3.31Å; C800-Y929 HydrophobicContact CB-CD1 4.41Å; C800-Y929 HydrophobicContact CB-CE1 4.3Å; K801-Y929 WeakPolarHBondContact CE-O 3.34Å; W807-Y929 HydrophobicContact CB-CD1 4.42Å; W807-Y929 HydrophobicContact CB-CE1 4.05Å; W807-Y929 HydrophobicContact CG-CE1 4.23Å; F823-Y929 HydrophobicContact CB-CE2 3.66Å; F823-Y929 HydrophobicContact CD1-CD2 4.15Å; F823-Y929 HydrophobicContact CD1-CE1 4.16Å; F823-Y929 AromaticContact CD1-CE2 3.64Å; F823-Y929 HydrophobicContact CD1-CE2 3.64Å; F823-Y929 AromaticContact CD1-CZ 3.63Å; F823-Y929 HydrophobicContact CE1-CE2 4.48Å; F823-Y929 HydrophobicContact CG-CD2 4.42Å; F823-Y929 AromaticContact CG-CE2 3.79Å; F823-Y929 HydrophobicContact CG-CE2 3.79Å; F823-Y929 PolarHBondContact O-OH 2.91Å; H832-Y929 AromaticContact CE1-CE2 3.8Å; H832-Y929 AromaticContact CE1-CZ 3.57Å; H832-Y929 PolarHBondContact CE1-OH 2.89Å; H832-Y929 AromaticContact NE2-CZ 3.98Å; F925-Y929 AromaticContact CD2-CD2 3.88Å; F925-Y929 HydrophobicContact CD2-CD2 3.88Å; F925-Y929 HydrophobicContact CD2-CG 4.12Å; F925-Y929 HydrophobicContact CE2-CD2 4.32Å; F925-Y929 HydrophobicContact CE2-CG 4.1Å; F925-Y929 PolarHBondContact O-N 3.31Å
930	E	87.8	Confident	88.3	Confident	59 Å²	59	38.8 Å²	38.8	28%	0.276	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	149	167.5	57	179.3	-146.4	0	0	109.1	R799 K801	R799-E930 HydrophobicContact CB-CG 3.87Å; R799-E930 IonicContact CZ-OE1 3.82Å; R799-E930 PolarHBondContact N-O 3.09Å; R799-E930 IonicContact NE-OE1 3.68Å; R799-E930 PolarHBondContact NE-OE1 3.2Å; R799-E930 IonicContact NH2-OE1 2.81Å; R799-E930 PolarHBondContact NH2-OE1 2.92Å; R799-E930 PolarHBondContact O-N 3.25Å; K801-E930 HydrophobicContact CG-CB 4Å; K801-E930 HydrophobicContact CG-CG 4.23Å
931	I	86	Confident	88.3	Confident	42 Å²	42	41.9 Å²	41.9	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.5	171.3	-57.2	147.1	0	0	0	106.4	A609 K796 G797 F925	A609-I931 HydrophobicContact CB-CG1 4.32Å; A609-I931 WeakPolarHBondContact O-CD1 3.43Å; K796-I931 HydrophobicContact CB-CG2 3.73Å; K796-I931 HydrophobicContact CD-CG2 3.82Å; K796-I931 HydrophobicContact CG-CG2 3.9Å; G797-I931 CarbonylContact O-C 3.48Å; G797-I931 WeakPolarHBondContact O-CA 3.42Å; F925-I931 HydrophobicContact CE1-CD1 4.15Å; F925-I931 HydrophobicContact CE1-CG1 4.22Å; F925-I931 HydrophobicContact CZ-CG1 4.16Å
932	L	77.3	Confident	88.2	Confident	111 Å²	111	45.5 Å²	45.5	58%	0.581	23%	0.229	S	C	*	.			trans	-79.6	0	-179.9	-112	174.8	0	0	0	112.8	K796 G797 R799	K796-L932 WeakPolarHBondContact CA-O 3.36Å; K796-L932 WeakPolarHBondContact CG-O 3.38Å; G797-L932 PolarHBondContact O-N 2.79Å; R799-L932 HydrophobicContact CG-CD1 4.01Å; R799-L932 HydrophobicContact CG-CG 4.31Å

Retrieved 932 of 932 residues in 250.5 ms (Link to these results)

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