A0A3Q0KL63_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KL63, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 953 aa.

						>A0A3Q0KL63_SCHMA|A0A3Q0KL63
MNMITNNNHSTNDDNKNNSSINSSINGSINSNNPINNHPKEYNWFTISLYNHHFNPYSTELFNSFTYSNDSIDKLGQQFTQLANQSINTSINHESIKYNYIQQLMINKKSIMNANNHNLSNTLETNLSTLNTPSLKRAVPIIDKRYNKSINRLNNPIIYHNDNKQSIKTISMNSNHNHYNKNDRLPSNNMIIDTTSMTCITTTTKTTTTRTSNLLNYHHSEPNMIEDRNLFNRSSHSSYSLTSMISRSYSMNSISNDKNNNISHAKNQSQSNNNTNNTNNSNSNNNGNSNKYPSIEHNNNDNPKSNGLGLYCILNTIGLGNFSQVKLATHVLTKERVAIKVLDKSKMNTSTRRLLSQEISILESLHHPNIIRLYEVIETFSHLNLIMEYVAGGDLNRRIIKYGKLNEPESRIVFAQLIAAVNHLHERNIVHRDIKAENILFTYDFKYTTQIYNKPSKLKKGTKIKGNGVKQQKNHPNFIDPNKQTNKIQKLLHNNNHHHQKRSRSSEKNDHSIRTSSSSKYKMKQEEYQSTSYDRKKLGKSNSIEDDEIGESLDLCPDHYRVKLVDFGFSKLIKESNQQLTTFCGSPAYAAPELFESKSYRGGPVDMWALGIVLFFMLTGLLPFSGTTVGQVRRLVLDNCGLQPPDSLSPAAADLYRNLTARQPDLRPTASQLIKYAQFARKDLTPIEIVLRQRSTWTNWLTGQTFPKPLPRFKHCPPLPTTPQIKQSLLDSSSSRYKINKTVSIDKTISNDIIPSSDLIHKQSINTIQNNTDHQPDIQTLNSGNGEGLNGNCSSEQTLLNHLNDNQDDAELEAANYLLSNLGITKDEIQNSYNYVTRSAVTGAYRIMLHKIHRSRRLSQLDQMTLTPYNNNNMKSIKFNSNLSSIQSSIHLEPENNYNPNQNQNPFKSHTIPYSLKQNHSIKLNTNKNLDNEQSSNNNNNGNKSASRLCYLI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.3	Very low	28.9	Very low	230 Å²	230	135.2 Å²	135.2	100%	1.133	73%	0.727	S	S	*	*				0	114.8	0	-172.3	171.5	-174.4	0	0	106.3
2	N	26	Very low	29.1	Very low	139 Å²	139	134.9 Å²	134.9	74%	0.743	73%	0.725	S	S	*	*			trans	61.7	141.9	-178.2	-57.2	0.7	0	0	0	117.2
3	M	24.9	Very low	29.5	Very low	149 Å²	149	135.5 Å²	135.5	73%	0.734	73%	0.728	S	S	*	*			cis	-155.8	136.3	-22.6	-120.4	-171.6	-177	0	0	111.2
4	I	26	Very low	29.8	Very low	118 Å²	118	134.6 Å²	134.6	61%	0.605	72%	0.723	S	S	*	*				35.4	124.7	129.9	-59.5	172.9	0	0	0	119.1	N6	I4-N6 VanDerWaalsContact CG2-OD1 3.29Å; I4-N6 WeakPolarHBondContact CG2-OD1 3.5Å
5	T	33.4	Very low	29.6	Very low	132 Å²	132	134.4 Å²	134.4	81%	0.81	72%	0.722	S	S	*	*				-159.6	91.9	121	7.5	0	0	0	0	114.6
6	N	29	Very low	29.9	Very low	116 Å²	116	136.9 Å²	136.9	62%	0.62	72%	0.724	S	S	*	*				74.3	136	124	-67.4	11.8	0	0	0	124.4	I4	I4-N6 VanDerWaalsContact CG2-OD1 3.29Å; I4-N6 WeakPolarHBondContact CG2-OD1 3.5Å
7	N	31	Very low	30	Very low	127 Å²	127	136.7 Å²	136.7	68%	0.679	72%	0.723	S	S	*	*			trans	81.3	134.7	146.2	-62.4	-0.9	0	0	0	119.4
8	N	30.3	Very low	30.2	Very low	120 Å²	120	136.7 Å²	136.7	64%	0.642	72%	0.724	S	S	*	*			cis	-163.6	168.1	-12.5	-120.4	-8.8	0	0	0	114
9	H	32.5	Very low	30.3	Very low	152 Å²	152	134 Å²	134	70%	0.704	72%	0.717	S	S	*	*			trans	64.5	87.2	153.1	-77.4	-63.2	0	0	0	122.4
10	S	28.6	Very low	30.3	Very low	88 Å²	88	132.7 Å²	132.7	62%	0.615	72%	0.719	S	S	*	*				74.4	147.5	96.9	72.8	0	0	0	0	124.6
11	T	30.3	Very low	30.3	Very low	116 Å²	116	134 Å²	134	71%	0.712	72%	0.724	S	S	*	*			trans	84.4	123	141.8	37.4	0	0	0	0	122
12	N	30.8	Very low	30.4	Very low	132 Å²	132	130.3 Å²	130.3	71%	0.706	71%	0.709	S	S	*	*			trans	80.5	144.5	144.9	-70.2	40.6	0	0	0	119
13	D	34.6	Very low	30.6	Very low	143 Å²	143	128.7 Å²	128.7	77%	0.765	71%	0.708	S	S	*	*			cis	-127.3	173.2	12.4	-92.2	-48	0	0	0	116
14	D	33.3	Very low	30.9	Very low	122 Å²	122	127.3 Å²	127.3	65%	0.652	71%	0.713	S	S	*	*			trans	-60	142.1	-175	-86.8	-53.7	0	0	0	116.5
15	N	27.5	Very low	31	Very low	132 Å²	132	129.2 Å²	129.2	71%	0.706	72%	0.723	S	S	*	*				55.6	114	78	-68.3	-55.1	0	0	0	117
16	K	34.6	Very low	30.9	Very low	174 Å²	174	131 Å²	131	76%	0.757	73%	0.727	S	S	*	*				173.6	134.7	113.6	-94.4	155	-173.2	161	0	113.8
17	N	31.6	Very low	30.9	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	73%	0.733	S	S	*	*			trans	57.3	148.4	136	-54.6	4.1	0	0	0	119.3
18	N	32.4	Very low	30.6	Very low	137 Å²	137	127.8 Å²	127.8	73%	0.733	74%	0.736	S	S	*	*			cis	-167.9	167.8	-4.2	-107.8	8.7	0	0	0	107.2
19	S	32.2	Very low	30.5	Very low	85 Å²	85	128.7 Å²	128.7	59%	0.594	74%	0.739	S	S	*	*			cis	-174.1	160.3	-17.4	50.2	0	0	0	0	109.8
20	S	30.4	Very low	30.3	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	74%	0.741	S	S	*	*			trans	62.3	149.7	172.1	52	0	0	0	0	116.6
21	I	31.9	Very low	30.4	Very low	161 Å²	161	129.6 Å²	129.6	83%	0.826	75%	0.751	S	S	*	*			cis	-124.1	133.8	25.4	-70.6	171.7	0	0	0	112.6
22	N	26.8	Very low	30.4	Very low	152 Å²	152	131.3 Å²	131.3	81%	0.813	76%	0.756	S	S	*	*			trans	-87.6	156.3	159.5	-61.5	-43.8	0	0	0	108.1
23	S	30.6	Very low	30.1	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	76%	0.764	S	S	*	*			cis	-164	163.1	35	64.1	0	0	0	0	109.6
24	S	30.8	Very low	29.8	Very low	120 Å²	120	130.9 Å²	130.9	84%	0.839	76%	0.76	S	S	*	*				-154.9	140.2	84.6	12.5	0	0	0	0	111.1
25	I	29.3	Very low	29.4	Very low	158 Å²	158	133.2 Å²	133.2	81%	0.81	77%	0.77	S	S	*	*			trans	-101.7	142.4	-175.6	-67.2	167	0	0	0	109.3
26	N	30.4	Very low	29.4	Very low	168 Å²	168	133.8 Å²	133.8	90%	0.898	77%	0.773	S	S	*	*			trans	-141.4	115.2	159.8	-121.1	-17.2	0	0	0	111.2
27	G	28.7	Very low	29	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	77%	0.774	S	S	*	*			trans	45.2	80.7	156.4	0	0	0	0	0	120.2
28	S	25.2	Very low	28.8	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	78%	0.783	S	S	*	*			trans	-72.3	155.7	140.6	46.8	0	0	0	0	109.1
29	I	29.1	Very low	28.6	Very low	139 Å²	139	133 Å²	133	71%	0.713	78%	0.776	S	S	*	*				-175.7	158.5	80.1	-89.7	178.3	0	0	0	109.9
30	N	28	Very low	28.2	Very low	141 Å²	141	139.2 Å²	139.2	75%	0.754	79%	0.792	S	S	*	*			trans	66	109.3	169.8	-69.6	-21.6	0	0	0	117.2
31	S	30.7	Very low	27.9	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	79%	0.794	S	S	*	*				-154.7	163.5	59.2	43.1	0	0	0	0	113.4
32	N	28.7	Very low	27.5	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	79%	0.794	S	S	*	*			trans	-86.8	143.6	-164	-63	-50.9	0	0	0	113.9
33	N	25	Very low	27.4	Very low	163 Å²	163	144.1 Å²	144.1	87%	0.872	79%	0.792	S	S	*	*			trans	-142.6	96.1	176.8	-157.9	5.2	0	0	0	111.6
34	P	29.1	Very low	26.9	Very low	104 Å²	104	149.9 Å²	149.9	68%	0.675	80%	0.798	S	S	*	*			trans	-100.5	121.7	175.2	34.1	-27	0	0	0	112.5
35	I	24.3	Very low	26.5	Very low	171 Å²	171	152.7 Å²	152.7	88%	0.877	80%	0.795	S	S	*	*			trans	12.7	114.8	144.5	-54.6	169	0	0	0	115.3
36	N	27.9	Very low	26.3	Very low	143 Å²	143	150.7 Å²	150.7	77%	0.765	79%	0.791	S	S	*	*			trans	-143.2	153.2	162.3	-132.6	-33.2	0	0	0	113.6
37	N	25.9	Very low	25.9	Very low	146 Å²	146	149.3 Å²	149.3	78%	0.781	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-64.5	136.8	-163.8	-61.4	-79.4	0	0	0	114.4	P39	N37-P39 WeakPolarHBondContact O-CD 3.21Å
38	H	27.9	Very low	25.8	Very low	192 Å²	192	150.6 Å²	150.6	89%	0.889	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-76.8	122.3	165.1	-99.4	-73.4	0	0	0	111
39	P	28	Very low	25.8	Very low	92 Å²	92	153.7 Å²	153.7	60%	0.597	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-74.8	163.7	166.2	32.1	-33.8	0	0	0	111.5	N37 E41	N37-P39 WeakPolarHBondContact O-CD 3.21Å; P39-E41 HydrophobicContact CG-CG 4.35Å; P39-E41 PolarHBondContact O-N 3.01Å
40	K	23.8	Very low	25.6	Very low	214 Å²	214	153.6 Å²	153.6	93%	0.93	78%	0.779	S	S	*	*			trans	-82.3	97.6	178.2	-65	166.9	-175.3	162.3	0	110.2
41	E	24.7	Very low	25.6	Very low	171 Å²	171	153.7 Å²	153.7	80%	0.799	78%	0.779	S	S	*	*			trans	-104.8	158.3	178.8	-67.8	-159.9	139.2	0	0	115	P39 N43	P39-E41 HydrophobicContact CG-CG 4.35Å; P39-E41 PolarHBondContact O-N 3.01Å; E41-N43 PolarHBondContact O-N 3.49Å
42	Y	23.4	Very low	25.3	Very low	208 Å²	208	157.3 Å²	157.3	82%	0.816	78%	0.783	S	S	*	*			trans	-74.6	115.3	-166.4	-66.6	-102.7	0	0	0	112.6	W44	Y42-W44 PolarHBondContact O-N 3.28Å
43	N	23.2	Very low	25.3	Very low	146 Å²	146	157.1 Å²	157.1	78%	0.781	78%	0.777	S	S	*	*			trans	-80.8	83.8	165.5	-167.9	-18.8	0	0	0	110.8	E41	E41-N43 PolarHBondContact O-N 3.49Å
44	W	21.4	Very low	25.4	Very low	226 Å²	226	159 Å²	159	86%	0.856	78%	0.778	S	S	*	*			trans	-111.2	48.2	173	-159.9	-33.5	0	0	0	111.2	Y42	Y42-W44 PolarHBondContact O-N 3.28Å
45	F	22.2	Very low	25.4	Very low	178 Å²	178	159.2 Å²	159.2	78%	0.781	77%	0.773	S	S	*	*			trans	-144.7	99.1	168.6	-118.3	-85.1	0	0	0	113
46	T	24.3	Very low	25.5	Very low	117 Å²	117	156 Å²	156	72%	0.718	76%	0.763	S	S	*	*			trans	-149.2	50.9	164.9	-35.7	0	0	0	0	111.6	S48	T46-S48 PolarHBondContact O-N 3.14Å; T46-S48 VanDerWaalsContact O-N 3.08Å
47	I	23.3	Very low	25.4	Very low	138 Å²	138	159 Å²	159	71%	0.708	77%	0.765	S	S	*	*			trans	-79.8	76.7	162.9	-56	-179.7	0	0	0	107.6	L49	I47-L49 PolarHBondContact O-N 3.27Å
48	S	25.1	Very low	25.6	Very low	100 Å²	100	155.6 Å²	155.6	70%	0.699	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-68.9	127.4	164.7	-63.9	0	0	0	0	108.9	T46	T46-S48 PolarHBondContact O-N 3.14Å; T46-S48 VanDerWaalsContact O-N 3.08Å
49	L	26.3	Very low	25.6	Very low	168 Å²	168	150.9 Å²	150.9	88%	0.88	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-65	149.9	-168.4	-76	154.5	0	0	0	113.5	I47	I47-L49 PolarHBondContact O-N 3.27Å
50	Y	23.5	Very low	25.6	Very low	138 Å²	138	154.7 Å²	154.7	54%	0.541	75%	0.748	S	S	.	*	P	Polyproline II helix	trans	-79.4	166.8	169.1	-124.7	-108.2	0	0	0	110.7	E378	Y50-E378 WeakPolarHBondContact OH-CG 3.2Å; Y50-E378 PolarHBondContact OH-OE1 3.47Å
51	N	28.6	Very low	25.8	Very low	142 Å²	142	151.3 Å²	151.3	76%	0.759	74%	0.739	S	S	*	*			trans	75.6	94.9	173.7	-51.6	-25.7	0	0	0	116.1	H53	N51-H53 PolarHBondContact O-N 3.2Å
52	H	25.6	Very low	25.9	Very low	195 Å²	195	152 Å²	152	90%	0.903	74%	0.74	S	S	*	*			trans	-64.7	99.4	154.2	-92	-83.4	0	0	0	109.6
53	H	27	Very low	26.1	Very low	147 Å²	147	149.3 Å²	149.3	68%	0.681	74%	0.739	S	S	*	*			trans	-171.1	64.5	153	-99.4	-66	0	0	0	109.4	N51 N834	N51-H53 PolarHBondContact O-N 3.2Å; H53-N834 PolarHBondContact NE2-ND2 3Å
54	F	27.3	Very low	26.2	Very low	204 Å²	204	145.7 Å²	145.7	90%	0.895	73%	0.725	S	S	*	*			trans	-138.7	155.1	168.8	-103.3	-81.9	0	0	0	112.5
55	N	28.6	Very low	26.4	Very low	107 Å²	107	141.7 Å²	141.7	57%	0.572	71%	0.714	S	S	*	*			trans	-78.6	148.4	-164.1	-158.9	18.4	0	0	0	112.1	Y57	N55-Y57 PolarHBondContact O-N 3.37Å
56	P	27.8	Very low	26.7	Very low	104 Å²	104	140.1 Å²	140.1	68%	0.675	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-64.9	0.2	-178.3	-24.7	36.8	0	0	0	116.9	T59	P56-T59 PolarHBondContact O-OG1 3.23Å
57	Y	26	Very low	27	Very low	206 Å²	206	141.7 Å²	141.7	81%	0.808	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-90.2	7.3	-173.6	-80.8	-81.4	0	0	0	115.3	N55	N55-Y57 PolarHBondContact O-N 3.37Å
58	S	29	Very low	27.4	Very low	74 Å²	74	138.9 Å²	138.9	52%	0.517	71%	0.706	S	S	.	*	G	3₁₀ helix	trans	-107.2	3.5	-179.2	69.3	0	0	0	0	115.1
59	T	28.7	Very low	27.7	Very low	94 Å²	94	140.5 Å²	140.5	58%	0.577	71%	0.707	S	S	*	*	S	Bend	trans	-82.6	-16.3	-172.9	12.4	0	0	0	0	115.4	P56	P56-T59 PolarHBondContact O-OG1 3.23Å
60	E	27.7	Very low	28	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.804	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-82	-30	-178.9	-65.1	-177.2	130.6	0	0	112.7	F62	E60-F62 PolarHBondContact O-N 3Å
61	L	28.4	Very low	28.6	Very low	143 Å²	143	133 Å²	133	75%	0.749	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-73.4	-3.8	-178.3	-107.4	164.7	0	0	0	115.1
62	F	26.8	Very low	28.9	Very low	185 Å²	185	131.6 Å²	131.6	81%	0.811	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-113.4	-5.7	-173.6	-115.8	-82.4	0	0	0	115	E60	E60-F62 PolarHBondContact O-N 3Å
63	N	28.2	Very low	29.5	Very low	151 Å²	151	128 Å²	128	81%	0.807	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-19.2	-178.8	-77.6	-27.1	0	0	0	113.7
64	S	24	Very low	30.1	Very low	70 Å²	70	128 Å²	128	49%	0.49	66%	0.655	S	S	.	*	S	Bend	trans	-91.6	107.3	162.5	57.5	0	0	0	0	109.1
65	F	25.8	Very low	30.6	Very low	142 Å²	142	122.8 Å²	122.8	62%	0.623	64%	0.636	S	S	*	*			trans	162	111.1	141.6	-81	-50.2	0	0	0	111.2	Y67	F65-Y67 HydrophobicContact CB-CD2 3.61Å; F65-Y67 HydrophobicContact CB-CE2 3.48Å; F65-Y67 VanDerWaalsContact CB-CE2 3.48Å; F65-Y67 HydrophobicContact CB-CG 4.32Å; F65-Y67 HydrophobicContact CD1-CE1 4.15Å; F65-Y67 AromaticContact CD1-CE2 3.79Å; F65-Y67 HydrophobicContact CD1-CE2 3.79Å; F65-Y67 AromaticContact CD1-CZ 3.51Å; F65-Y67 WeakPolarHBondContact CD1-OH 3.39Å; F65-Y67 AromaticContact CD2-CE2 3.64Å; F65-Y67 HydrophobicContact CD2-CE2 3.64Å; F65-Y67 HydrophobicContact CE1-CE2 4.47Å; F65-Y67 AromaticContact CE1-CZ 3.94Å; F65-Y67 VanDerWaalsContact CE1-OH 3.31Å; F65-Y67 WeakPolarHBondContact CE1-OH 3.47Å; F65-Y67 HydrophobicContact CE2-CE2 4.35Å; F65-Y67 HydrophobicContact CG-CD2 4.03Å; F65-Y67 HydrophobicContact CG-CE1 4.49Å; F65-Y67 AromaticContact CG-CE2 3.34Å; F65-Y67 HydrophobicContact CG-CE2 3.34Å; F65-Y67 AromaticContact CG-CZ 3.61Å
66	T	27.9	Very low	31.2	Very low	146 Å²	146	119.5 Å²	119.5	90%	0.896	63%	0.627	S	S	*	*			trans	-87.4	117.9	161.7	49.3	0	0	0	0	108.7
67	Y	31.7	Very low	32	Very low	150 Å²	150	120.9 Å²	120.9	59%	0.588	63%	0.625	S	S	*	*			trans	-128.4	141.3	-171.2	-89.5	-38.1	0	0	0	114.6	F65 S71	F65-Y67 HydrophobicContact CB-CD2 3.61Å; F65-Y67 HydrophobicContact CB-CE2 3.48Å; F65-Y67 VanDerWaalsContact CB-CE2 3.48Å; F65-Y67 HydrophobicContact CB-CG 4.32Å; F65-Y67 HydrophobicContact CD1-CE1 4.15Å; F65-Y67 AromaticContact CD1-CE2 3.79Å; F65-Y67 HydrophobicContact CD1-CE2 3.79Å; F65-Y67 AromaticContact CD1-CZ 3.51Å; F65-Y67 WeakPolarHBondContact CD1-OH 3.39Å; F65-Y67 AromaticContact CD2-CE2 3.64Å; F65-Y67 HydrophobicContact CD2-CE2 3.64Å; F65-Y67 HydrophobicContact CE1-CE2 4.47Å; F65-Y67 AromaticContact CE1-CZ 3.94Å; F65-Y67 VanDerWaalsContact CE1-OH 3.31Å; F65-Y67 WeakPolarHBondContact CE1-OH 3.47Å; F65-Y67 HydrophobicContact CE2-CE2 4.35Å; F65-Y67 HydrophobicContact CG-CD2 4.03Å; F65-Y67 HydrophobicContact CG-CE1 4.49Å; F65-Y67 AromaticContact CG-CE2 3.34Å; F65-Y67 HydrophobicContact CG-CE2 3.34Å; F65-Y67 AromaticContact CG-CZ 3.61Å; Y67-S71 WeakPolarHBondContact CB-OG 3.47Å; Y67-S71 VanDerWaalsContact CD1-OG 3.28Å; Y67-S71 WeakPolarHBondContact CD1-OG 3.23Å
68	S	30.6	Very low	32.7	Very low	79 Å²	79	116.6 Å²	116.6	55%	0.552	61%	0.612	S	S	*	*			trans	-88.2	170.6	174.7	55.6	0	0	0	0	112.1	D70 S71	S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 PolarHBondContact O-N 2.81Å; S68-D70 VanDerWaalsContact O-N 3.12Å; S68-S71 WeakPolarHBondContact O-CB 3.48Å; S68-S71 PolarHBondContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 3.13Å
69	N	31.8	Very low	33.2	Very low	133 Å²	133	120.4 Å²	120.4	71%	0.711	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-34.4	-170.1	-70.1	-26.5	0	0	0	115.4	S71 I72	N69-S71 PolarHBondContact O-N 3.22Å; N69-I72 WeakPolarHBondContact O-CB 3.43Å; N69-I72 PolarHBondContact O-N 3.34Å
70	D	33.3	Very low	34	Very low	131 Å²	131	119.6 Å²	119.6	70%	0.701	62%	0.615	S	S	*	*	H	α-helix	trans	-58.9	-18.5	177.2	-55.6	-37.8	0	0	0	113.7	S68 I72	S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 PolarHBondContact O-N 2.81Å; S68-D70 VanDerWaalsContact O-N 3.12Å; D70-I72 VanDerWaalsContact C-N 3.33Å
71	S	35.9	Very low	34.8	Very low	19 Å²	19	117.4 Å²	117.4	13%	0.133	60%	0.604	C	S	.	*	H	α-helix	trans	-76.9	-20.8	179.8	-41.2	0	0	0	0	112.4	Y67 S68 N69 L75	Y67-S71 WeakPolarHBondContact CB-OG 3.47Å; Y67-S71 VanDerWaalsContact CD1-OG 3.28Å; Y67-S71 WeakPolarHBondContact CD1-OG 3.23Å; S68-S71 WeakPolarHBondContact O-CB 3.48Å; S68-S71 PolarHBondContact O-N 3.15Å; S68-S71 PolarHBondContact O-OG 3.13Å; N69-S71 PolarHBondContact O-N 3.22Å; S71-L75 WeakPolarHBondContact O-CB 3.42Å; S71-L75 PolarHBondContact O-N 3.4Å
72	I	34.8	Very low	35.4	Very low	111 Å²	111	115.7 Å²	115.7	57%	0.569	60%	0.595	S	S	*	*	H	α-helix	trans	-69.8	-42.7	-180	-62	176.8	0	0	0	110.4	N69 D70 L75 G76	N69-I72 WeakPolarHBondContact O-CB 3.43Å; N69-I72 PolarHBondContact O-N 3.34Å; D70-I72 VanDerWaalsContact C-N 3.33Å; I72-L75 PolarHBondContact O-N 3.27Å; I72-G76 PolarHBondContact O-N 3.4Å
73	D	37.5	Very low	35.9	Very low	121 Å²	121	107.8 Å²	107.8	65%	0.647	56%	0.564	S	S	*	*	H	α-helix	trans	-69.4	-35.8	177.3	-80.1	-18.5	0	0	0	112	G76 Q77	D73-G76 PolarHBondContact O-N 3.04Å; D73-Q77 WeakPolarHBondContact O-CB 3.35Å; D73-Q77 VanDerWaalsContact O-CG 3.28Å; D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 3.04Å
74	K	40.7	Very low	36.5	Very low	145 Å²	145	104.3 Å²	104.3	63%	0.63	55%	0.546	S	S	*	.	H	α-helix	trans	-64.6	-41.6	171.5	-76.5	-178.1	177.3	174.1	0	112.2	Q77 Q78	K74-Q77 PolarHBondContact O-N 3.28Å; K74-Q78 WeakPolarHBondContact O-CG 3.35Å; K74-Q78 PolarHBondContact O-N 3.25Å
75	L	38.6	Very low	37.3	Very low	96 Å²	96	106.9 Å²	106.9	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-61.3	-43.5	171.9	-91.5	163.9	0	0	0	111.7	S71 I72 Q78 F79	S71-L75 WeakPolarHBondContact O-CB 3.42Å; S71-L75 PolarHBondContact O-N 3.4Å; I72-L75 PolarHBondContact O-N 3.27Å; L75-Q78 PolarHBondContact O-N 2.94Å; L75-F79 WeakPolarHBondContact O-CB 3.47Å; L75-F79 PolarHBondContact O-N 3.25Å
76	G	40.4	Very low	37.8	Very low	37 Å²	37	103.1 Å²	103.1	38%	0.381	54%	0.542	S	S	.	.	H	α-helix	trans	-62.1	-42	176.1	0	0	0	0	0	113.1	I72 D73 T80	I72-G76 PolarHBondContact O-N 3.4Å; D73-G76 PolarHBondContact O-N 3.04Å; G76-T80 WeakPolarHBondContact O-CB 3.4Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 3.2Å
77	Q	43.7	Very low	38.2	Very low	133 Å²	133	101.2 Å²	101.2	62%	0.621	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-47.4	174.5	-73	173.6	19.7	0	0	111.6	D73 K74 F79 T80 Q81	D73-Q77 WeakPolarHBondContact O-CB 3.35Å; D73-Q77 VanDerWaalsContact O-CG 3.28Å; D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 3.04Å; K74-Q77 PolarHBondContact O-N 3.28Å; Q77-F79 PolarHBondContact O-N 3.49Å; Q77-T80 WeakPolarHBondContact O-CB 3.48Å; Q77-T80 PolarHBondContact O-N 2.87Å; Q77-T80 VanDerWaalsContact O-N 3.16Å; Q77-Q81 WeakPolarHBondContact O-CB 3.41Å; Q77-Q81 PolarHBondContact O-N 2.76Å
78	Q	41.5	Very low	38.7	Very low	117 Å²	117	100.7 Å²	100.7	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-41	176.9	-74.8	-177.3	-18.6	0	0	112.5	K74 L75 T80 Q81 L82	K74-Q78 WeakPolarHBondContact O-CG 3.35Å; K74-Q78 PolarHBondContact O-N 3.25Å; L75-Q78 PolarHBondContact O-N 2.94Å; Q78-T80 VanDerWaalsContact C-N 3.3Å; Q78-T80 PolarHBondContact O-N 3.03Å; Q78-Q81 PolarHBondContact O-N 2.9Å; Q78-L82 WeakPolarHBondContact O-CB 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 2.89Å
79	F	40.3	Very low	38.9	Very low	154 Å²	154	100.5 Å²	100.5	68%	0.675	53%	0.528	S	S	*	.	H	α-helix	trans	-60.6	-40.4	172.8	-116.2	-85.5	0	0	0	111.9	L75 Q77 A83	L75-F79 WeakPolarHBondContact O-CB 3.47Å; L75-F79 PolarHBondContact O-N 3.25Å; Q77-F79 PolarHBondContact O-N 3.49Å; F79-A83 VanDerWaalsContact O-CB 3.23Å; F79-A83 WeakPolarHBondContact O-CB 3.44Å; F79-A83 PolarHBondContact O-N 2.94Å
80	T	45.2	Very low	38.9	Very low	76 Å²	76	100.3 Å²	100.3	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-67.8	-37.2	176.7	-55.6	0	0	0	0	111.5	G76 Q77 Q78 A83 N84	G76-T80 WeakPolarHBondContact O-CB 3.4Å; G76-T80 PolarHBondContact O-N 3.41Å; G76-T80 PolarHBondContact O-OG1 3.2Å; Q77-T80 WeakPolarHBondContact O-CB 3.48Å; Q77-T80 PolarHBondContact O-N 2.87Å; Q77-T80 VanDerWaalsContact O-N 3.16Å; Q78-T80 VanDerWaalsContact C-N 3.3Å; Q78-T80 PolarHBondContact O-N 3.03Å; T80-A83 PolarHBondContact O-N 2.85Å; T80-N84 WeakPolarHBondContact O-CB 3.45Å; T80-N84 VanDerWaalsContact O-CG 3.28Å; T80-N84 PolarHBondContact O-N 2.82Å; T80-N84 PolarHBondContact O-ND2 2.9Å
81	Q	44.2	Very low	39.1	Very low	126 Å²	126	98.8 Å²	98.8	59%	0.589	53%	0.528	S	S	*	.	H	α-helix	trans	-68.8	-43.8	178.5	-147.7	169.6	20.5	0	0	111.5	Q77 Q78 N84 Q85	Q77-Q81 WeakPolarHBondContact O-CB 3.41Å; Q77-Q81 PolarHBondContact O-N 2.76Å; Q78-Q81 PolarHBondContact O-N 2.9Å; Q81-N84 PolarHBondContact O-N 2.82Å; Q81-Q85 WeakPolarHBondContact O-CG 3.19Å; Q81-Q85 PolarHBondContact O-N 3.07Å
82	L	41.2	Very low	39.2	Very low	107 Å²	107	105.7 Å²	105.7	56%	0.56	56%	0.563	S	S	*	*	H	α-helix	trans	-66.5	-35.6	173.1	-69.6	166.8	0	0	0	112.3	Q78 S86	Q78-L82 WeakPolarHBondContact O-CB 3.26Å; Q78-L82 WeakPolarHBondContact O-CG 3.45Å; Q78-L82 PolarHBondContact O-N 2.89Å; L82-S86 PolarHBondContact O-N 3.24Å; L82-S86 PolarHBondContact O-OG 3.44Å
83	A	37.3	Very low	39.5	Very low	19 Å²	19	104 Å²	104	16%	0.157	55%	0.553	C	S	.	*	H	α-helix	trans	-63.7	-45.5	172.3	0	0	0	0	0	111.4	F79 T80 S86 I87	F79-A83 VanDerWaalsContact O-CB 3.23Å; F79-A83 WeakPolarHBondContact O-CB 3.44Å; F79-A83 PolarHBondContact O-N 2.94Å; T80-A83 PolarHBondContact O-N 2.85Å; A83-S86 PolarHBondContact O-N 3.12Å; A83-S86 PolarHBondContact O-OG 3.43Å; A83-S86 VanDerWaalsContact O-OG 3.07Å; A83-I87 WeakPolarHBondContact O-CB 3.43Å; A83-I87 WeakPolarHBondContact O-CD1 3.48Å; A83-I87 WeakPolarHBondContact O-CG1 3.22Å; A83-I87 PolarHBondContact O-N 2.91Å
84	N	40	Very low	39.7	Very low	78 Å²	78	105.1 Å²	105.1	42%	0.417	55%	0.554	S	S	.	*	H	α-helix	trans	-65.7	-39.5	177.2	-72.6	-15.7	0	0	0	112.4	T80 Q81 I87 N88	T80-N84 WeakPolarHBondContact O-CB 3.45Å; T80-N84 VanDerWaalsContact O-CG 3.28Å; T80-N84 PolarHBondContact O-N 2.82Å; T80-N84 PolarHBondContact O-ND2 2.9Å; Q81-N84 PolarHBondContact O-N 2.82Å; N84-I87 PolarHBondContact O-N 2.85Å; N84-N88 PolarHBondContact O-N 2.95Å
85	Q	41	Very low	39.8	Very low	124 Å²	124	101.6 Å²	101.6	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-61.5	-42.5	173.8	-76.4	175.2	-17.7	0	0	112.1	Q81 N88	Q81-Q85 WeakPolarHBondContact O-CG 3.19Å; Q81-Q85 PolarHBondContact O-N 3.07Å; Q85-N88 PolarHBondContact O-N 2.84Å
86	S	35.8	Very low	40.2	Very low	64 Å²	64	102.1 Å²	102.1	45%	0.448	55%	0.55	S	S	.	.	H	α-helix	trans	-75.4	-31.4	178.4	50	0	0	0	0	113.8	L82 A83 N88 T89	L82-S86 PolarHBondContact O-N 3.24Å; L82-S86 PolarHBondContact O-OG 3.44Å; A83-S86 PolarHBondContact O-N 3.12Å; A83-S86 PolarHBondContact O-OG 3.43Å; A83-S86 VanDerWaalsContact O-OG 3.07Å; S86-N88 VanDerWaalsContact C-N 3.27Å; S86-N88 PolarHBondContact O-N 2.72Å; S86-T89 PolarHBondContact O-N 3.43Å; S86-T89 VanDerWaalsContact O-N 3.11Å; S86-T89 PolarHBondContact O-OG1 3.11Å
87	I	37.5	Very low	40.4	Very low	105 Å²	105	106 Å²	106	54%	0.538	56%	0.556	S	S	.	*	H	α-helix	trans	-61.3	-35.9	171.6	-75.6	164.6	0	0	0	111.5	A83 N84 T89	A83-I87 WeakPolarHBondContact O-CB 3.43Å; A83-I87 WeakPolarHBondContact O-CD1 3.48Å; A83-I87 WeakPolarHBondContact O-CG1 3.22Å; A83-I87 PolarHBondContact O-N 2.91Å; N84-I87 PolarHBondContact O-N 2.85Å; I87-T89 PolarHBondContact O-N 2.68Å
88	N	41.4	Very low	40.5	Very low	139 Å²	139	105.9 Å²	105.9	74%	0.743	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	2.7	177.2	-71.4	-12.3	0	0	0	113.9	N84 Q85 S86	N84-N88 PolarHBondContact O-N 2.95Å; Q85-N88 PolarHBondContact O-N 2.84Å; S86-N88 VanDerWaalsContact C-N 3.27Å; S86-N88 PolarHBondContact O-N 2.72Å
89	T	35.7	Very low	40.9	Very low	76 Å²	76	104.4 Å²	104.4	47%	0.466	55%	0.547	S	S	.	.	S	Bend	trans	-107.2	135.3	171.3	63.6	0	0	0	0	111.3	S86 I87 I91	S86-T89 PolarHBondContact O-N 3.43Å; S86-T89 VanDerWaalsContact O-N 3.11Å; S86-T89 PolarHBondContact O-OG1 3.11Å; I87-T89 PolarHBondContact O-N 2.68Å; T89-I91 PolarHBondContact O-N 2.75Å
90	S	32	Very low	41.1	Very low	129 Å²	129	102.2 Å²	102.2	90%	0.902	54%	0.535	S	S	*	.			trans	-67.9	81.7	-162.1	-51.9	0	0	0	0	115.2
91	I	35.9	Very low	41.3	Very low	99 Å²	99	100.2 Å²	100.2	51%	0.508	52%	0.521	S	S	.	.			trans	-118.8	104.7	-177.9	-59.7	178	0	0	0	112.2	T89 H93	T89-I91 PolarHBondContact O-N 2.75Å; I91-H93 HydrophobicContact CG2-CB 4.07Å; I91-H93 PolarHBondContact O-N 3.42Å; I91-H93 VanDerWaalsContact O-N 3.08Å
92	N	38	Very low	41.6	Very low	163 Å²	163	97.3 Å²	97.3	87%	0.872	51%	0.507	S	S	*	.			trans	-78.7	26.1	-179.1	-78.2	-28.6	0	0	0	115.3	E94	N92-E94 PolarHBondContact O-N 3.44Å
93	H	42.7	Very low	42.1	Very low	77 Å²	77	97.3 Å²	97.3	36%	0.356	50%	0.504	S	S	.	.			trans	-92.2	94.2	-176.3	-98.6	-81.1	0	0	0	113.9	I91 S95 I96 K97	I91-H93 HydrophobicContact CG2-CB 4.07Å; I91-H93 PolarHBondContact O-N 3.42Å; I91-H93 VanDerWaalsContact O-N 3.08Å; H93-S95 PolarHBondContact O-N 2.88Å; H93-I96 HydrophobicContact CB-CD1 3.84Å; H93-I96 HydrophobicContact CB-CG1 4.07Å; H93-I96 PolarHBondContact O-N 3.19Å; H93-I96 VanDerWaalsContact O-N 3.1Å; H93-K97 PolarHBondContact O-N 3.42Å
94	E	41.2	Very low	42.6	Very low	144 Å²	144	98.8 Å²	98.8	67%	0.673	51%	0.509	S	S	*	.	H	α-helix	trans	-59.1	-30.5	179.5	-158.3	170.9	-147.3	0	0	113.6	N92 I96 K97 Y98	N92-E94 PolarHBondContact O-N 3.44Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.09Å; E94-K97 PolarHBondContact O-N 2.76Å; E94-Y98 PolarHBondContact O-N 3.27Å
95	S	42.6	Very low	43	Very low	71 Å²	71	98.7 Å²	98.7	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-30.7	175.4	52.8	0	0	0	0	114	H93 N99	H93-S95 PolarHBondContact O-N 2.88Å; S95-N99 PolarHBondContact O-N 3.48Å
96	I	47.3	Very low	43.4	Very low	106 Å²	106	97.7 Å²	97.7	54%	0.544	51%	0.505	S	S	.	.	H	α-helix	trans	-73.1	-43.8	175.1	-61.2	175.5	0	0	0	109.2	H93 E94 Y98 N99 Y100	H93-I96 HydrophobicContact CB-CD1 3.84Å; H93-I96 HydrophobicContact CB-CG1 4.07Å; H93-I96 PolarHBondContact O-N 3.19Å; H93-I96 VanDerWaalsContact O-N 3.1Å; E94-I96 VanDerWaalsContact C-N 3.34Å; E94-I96 PolarHBondContact O-N 3.09Å; I96-Y98 VanDerWaalsContact C-N 3.29Å; I96-Y98 PolarHBondContact O-N 3.21Å; I96-N99 PolarHBondContact O-N 3.44Å; I96-Y100 WeakPolarHBondContact O-CB 3.48Å; I96-Y100 PolarHBondContact O-N 3.05Å
97	K	44	Very low	43.8	Very low	119 Å²	119	98.2 Å²	98.2	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-57.5	-41.4	173.6	-63	-176.2	179.2	-179.3	0	111.3	H93 E94 Y100 I101	H93-K97 PolarHBondContact O-N 3.42Å; E94-K97 PolarHBondContact O-N 2.76Å; K97-Y100 PolarHBondContact O-N 3.37Å; K97-I101 WeakPolarHBondContact O-CB 3.48Å; K97-I101 WeakPolarHBondContact O-CD1 3.18Å; K97-I101 VanDerWaalsContact O-CG1 3.22Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.38Å
98	Y	46.3	Very low	44.1	Very low	130 Å²	130	96.6 Å²	96.6	51%	0.51	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-47.9	176.2	-173.1	-94.9	0	0	0	113.3	E94 I96 Y100 I101 Q102	E94-Y98 PolarHBondContact O-N 3.27Å; I96-Y98 VanDerWaalsContact C-N 3.29Å; I96-Y98 PolarHBondContact O-N 3.21Å; Y98-Y100 VanDerWaalsContact C-N 3.35Å; Y98-Y100 PolarHBondContact O-N 3.49Å; Y98-I101 PolarHBondContact O-N 3.49Å; Y98-Q102 HydrophobicContact CD1-CG 4.43Å; Y98-Q102 HydrophobicContact CE1-CG 4.05Å; Y98-Q102 PolarHBondContact O-N 3.28Å; Y98-Q102 PolarHBondContact OH-NE2 3.04Å; Y98-Q102 VanDerWaalsContact OH-NE2 3.1Å
99	N	48.3	Very low	44	Very low	86 Å²	86	95.7 Å²	95.7	46%	0.46	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-37.8	177	-78.2	-27.6	0	0	0	112.3	S95 I96 Q102 Q103	S95-N99 PolarHBondContact O-N 3.48Å; I96-N99 PolarHBondContact O-N 3.44Å; N99-Q102 PolarHBondContact O-N 3.33Å; N99-Q103 WeakPolarHBondContact O-CG 3.47Å; N99-Q103 PolarHBondContact O-N 2.96Å
100	Y	45.8	Very low	44.4	Very low	108 Å²	108	96 Å²	96	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.4	-174.6	-112.1	0	0	0	111.9	I96 K97 Y98 Q102 Q103 L104	I96-Y100 WeakPolarHBondContact O-CB 3.48Å; I96-Y100 PolarHBondContact O-N 3.05Å; K97-Y100 PolarHBondContact O-N 3.37Å; Y98-Y100 VanDerWaalsContact C-N 3.35Å; Y98-Y100 PolarHBondContact O-N 3.49Å; Y100-Q102 PolarHBondContact O-N 3.15Å; Y100-Q103 PolarHBondContact O-N 3.38Å; Y100-L104 HydrophobicContact CD1-CD1 3.78Å; Y100-L104 HydrophobicContact CE1-CD1 3.47Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.47Å; Y100-L104 HydrophobicContact CE1-CG 4.38Å; Y100-L104 HydrophobicContact CG-CD1 4.5Å; Y100-L104 PolarHBondContact O-N 2.82Å
101	I	48.9	Very low	44.8	Very low	34 Å²	34	92 Å²	92	17%	0.174	45%	0.454	C	S	.	.	H	α-helix	trans	-64	-38.3	174.5	-68.6	160.6	0	0	0	111.3	K97 Y98 L104 M105 L135	K97-I101 WeakPolarHBondContact O-CB 3.48Å; K97-I101 WeakPolarHBondContact O-CD1 3.18Å; K97-I101 VanDerWaalsContact O-CG1 3.22Å; K97-I101 WeakPolarHBondContact O-CG1 3.38Å; K97-I101 PolarHBondContact O-N 3.38Å; Y98-I101 PolarHBondContact O-N 3.49Å; I101-L104 PolarHBondContact O-N 2.96Å; I101-M105 HydrophobicContact CG2-CG 4.32Å; I101-M105 WeakPolarHBondContact O-CB 3.5Å; I101-M105 WeakPolarHBondContact O-CG 3.39Å; I101-M105 PolarHBondContact O-N 3.03Å; I101-L135 HydrophobicContact CD1-CD1 4.04Å; I101-L135 HydrophobicContact CD1-CD2 4.27Å; I101-L135 HydrophobicContact CD1-CG 4.44Å
102	Q	50.4	Low	44.9	Very low	65 Å²	65	92.3 Å²	92.3	30%	0.304	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-44.2	173.2	-74.7	-161	-14.4	0	0	112.4	Y98 N99 Y100 M105 I106	Y98-Q102 HydrophobicContact CD1-CG 4.43Å; Y98-Q102 HydrophobicContact CE1-CG 4.05Å; Y98-Q102 PolarHBondContact O-N 3.28Å; Y98-Q102 PolarHBondContact OH-NE2 3.04Å; Y98-Q102 VanDerWaalsContact OH-NE2 3.1Å; N99-Q102 PolarHBondContact O-N 3.33Å; Y100-Q102 PolarHBondContact O-N 3.15Å; Q102-M105 PolarHBondContact O-N 3.02Å; Q102-I106 WeakPolarHBondContact O-CD1 3.5Å; Q102-I106 VanDerWaalsContact O-CG1 3.28Å; Q102-I106 WeakPolarHBondContact O-CG1 3.38Å; Q102-I106 PolarHBondContact O-N 3.38Å
103	Q	52.9	Low	45.2	Very low	108 Å²	108	90.9 Å²	90.9	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.6	-73.9	-75.3	17.3	0	0	112	N99 Y100 M105 I106 N107	N99-Q103 WeakPolarHBondContact O-CG 3.47Å; N99-Q103 PolarHBondContact O-N 2.96Å; Y100-Q103 PolarHBondContact O-N 3.38Å; Q103-M105 PolarHBondContact O-N 2.98Å; Q103-I106 PolarHBondContact O-N 3.25Å; Q103-N107 WeakPolarHBondContact O-CB 3.29Å; Q103-N107 VanDerWaalsContact O-CG 3.28Å; Q103-N107 PolarHBondContact O-N 3.32Å
104	L	47.6	Very low	45.1	Very low	49 Å²	49	89.6 Å²	89.6	26%	0.257	45%	0.45	S	S	.	.	H	α-helix	trans	-59.2	-44	174.3	-82	167.4	0	0	0	112.5	Y100 I101 I106 N107 K108 L123	Y100-L104 HydrophobicContact CD1-CD1 3.78Å; Y100-L104 HydrophobicContact CE1-CD1 3.47Å; Y100-L104 VanDerWaalsContact CE1-CD1 3.47Å; Y100-L104 HydrophobicContact CE1-CG 4.38Å; Y100-L104 HydrophobicContact CG-CD1 4.5Å; Y100-L104 PolarHBondContact O-N 2.82Å; I101-L104 PolarHBondContact O-N 2.96Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.45Å; L104-N107 PolarHBondContact O-N 3.49Å; L104-K108 WeakPolarHBondContact O-CB 3.37Å; L104-K108 PolarHBondContact O-N 2.86Å; L104-L123 HydrophobicContact CD2-CD2 3.77Å
105	M	47.2	Very low	45	Very low	76 Å²	76	90.1 Å²	90.1	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-32.4	178.5	-71.1	-84.8	-85.8	0	0	112.8	I101 Q102 Q103 I142	I101-M105 HydrophobicContact CG2-CG 4.32Å; I101-M105 WeakPolarHBondContact O-CB 3.5Å; I101-M105 WeakPolarHBondContact O-CG 3.39Å; I101-M105 PolarHBondContact O-N 3.03Å; Q102-M105 PolarHBondContact O-N 3.02Å; Q103-M105 PolarHBondContact O-N 2.98Å; M105-I142 HydrophobicContact CE-CG2 3.79Å
106	I	50.1	Low	45.1	Very low	104 Å²	104	91.9 Å²	91.9	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-69.7	-49.9	172.4	-70.6	163.8	0	0	0	109.9	Q102 Q103 L104 K108 K109	Q102-I106 WeakPolarHBondContact O-CD1 3.5Å; Q102-I106 VanDerWaalsContact O-CG1 3.28Å; Q102-I106 WeakPolarHBondContact O-CG1 3.38Å; Q102-I106 PolarHBondContact O-N 3.38Å; Q103-I106 PolarHBondContact O-N 3.25Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact C-N 3.28Å; I106-K108 PolarHBondContact O-N 3.14Å; I106-K109 WeakPolarHBondContact O-CB 3.47Å; I106-K109 PolarHBondContact O-N 2.97Å; I106-K109 VanDerWaalsContact O-N 3.08Å
107	N	44.8	Very low	45	Very low	75 Å²	75	94 Å²	94	40%	0.401	47%	0.469	S	S	.	.	H	α-helix	trans	-65.1	-29.5	-178.9	-69.9	-13.8	0	0	0	112.8	Q103 L104 K109 S110 I111	Q103-N107 WeakPolarHBondContact O-CB 3.29Å; Q103-N107 VanDerWaalsContact O-CG 3.28Å; Q103-N107 PolarHBondContact O-N 3.32Å; L104-N107 PolarHBondContact O-N 3.49Å; N107-K109 PolarHBondContact O-N 3.31Å; N107-K109 VanDerWaalsContact O-N 3.15Å; N107-S110 PolarHBondContact O-N 3.13Å; N107-I111 WeakPolarHBondContact O-CG1 3.41Å; N107-I111 PolarHBondContact O-N 3.42Å
108	K	42.4	Very low	45	Very low	70 Å²	70	94.6 Å²	94.6	30%	0.304	48%	0.478	S	S	.	.	H	α-helix	trans	-53.1	-33.2	171.7	-176.1	170.2	-178.2	169.7	0	112.3	L104 I106 M112	L104-K108 WeakPolarHBondContact O-CB 3.37Å; L104-K108 PolarHBondContact O-N 2.86Å; I106-K108 VanDerWaalsContact C-N 3.28Å; I106-K108 PolarHBondContact O-N 3.14Å; K108-M112 HydrophobicContact CD-SD 4.36Å; K108-M112 VanDerWaalsContact CE-CE 3.41Å; K108-M112 VanDerWaalsContact CE-SD 3.58Å; K108-M112 HydrophobicContact CG-CG 4.35Å; K108-M112 HydrophobicContact CG-SD 3.9Å; K108-M112 VanDerWaalsContact O-CB 3.31Å; K108-M112 WeakPolarHBondContact O-CB 3.12Å; K108-M112 WeakPolarHBondContact O-CG 3.24Å; K108-M112 PolarHBondContact O-N 3.13Å
109	K	41.2	Very low	44.7	Very low	121 Å²	121	92.3 Å²	92.3	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-75.1	-36.2	177.2	-167.8	173.8	-176.1	176.2	0	113.1	I106 N107 I111 N113	I106-K109 WeakPolarHBondContact O-CB 3.47Å; I106-K109 PolarHBondContact O-N 2.97Å; I106-K109 VanDerWaalsContact O-N 3.08Å; N107-K109 PolarHBondContact O-N 3.31Å; N107-K109 VanDerWaalsContact O-N 3.15Å; K109-I111 VanDerWaalsContact C-N 3.35Å; K109-N113 WeakPolarHBondContact O-CB 3.24Å; K109-N113 PolarHBondContact O-N 3.34Å
110	S	42.7	Very low	44.3	Very low	83 Å²	83	89.7 Å²	89.7	58%	0.58	46%	0.462	S	S	*	.	H	α-helix	trans	-66.2	-40.7	172	-53.7	0	0	0	0	111	N107 N113	N107-S110 PolarHBondContact O-N 3.13Å; S110-N113 PolarHBondContact O-N 3.28Å
111	I	40.6	Very low	44.2	Very low	44 Å²	44	89.4 Å²	89.4	23%	0.226	47%	0.468	C	S	.	.	H	α-helix	trans	-71.2	-42.6	-179.2	-68.6	167.2	0	0	0	111.6	N107 K109 N113 A114 L119 L123	N107-I111 WeakPolarHBondContact O-CG1 3.41Å; N107-I111 PolarHBondContact O-N 3.42Å; K109-I111 VanDerWaalsContact C-N 3.35Å; I111-N113 VanDerWaalsContact C-N 3.25Å; I111-N113 PolarHBondContact O-N 3.42Å; I111-A114 PolarHBondContact O-N 2.87Å; I111-A114 VanDerWaalsContact O-N 3.16Å; I111-L119 HydrophobicContact CD1-CD2 3.82Å; I111-L119 HydrophobicContact CD1-CG 4.35Å; I111-L119 HydrophobicContact CG1-CD2 3.9Å; I111-L119 HydrophobicContact CG2-CB 4.2Å; I111-L119 HydrophobicContact CG2-CD2 3.86Å; I111-L119 HydrophobicContact CG2-CG 4.06Å; I111-L123 HydrophobicContact CD1-CD1 3.76Å; I111-L123 HydrophobicContact CG2-CD1 4.22Å
112	M	38.7	Very low	44	Very low	105 Å²	105	91.3 Å²	91.3	52%	0.517	48%	0.482	S	S	.	.	H	α-helix	trans	-71.3	-15.5	177.2	-76.3	-179.6	149.3	0	0	114.3	K108 A114	K108-M112 HydrophobicContact CD-SD 4.36Å; K108-M112 VanDerWaalsContact CE-CE 3.41Å; K108-M112 VanDerWaalsContact CE-SD 3.58Å; K108-M112 HydrophobicContact CG-CG 4.35Å; K108-M112 HydrophobicContact CG-SD 3.9Å; K108-M112 VanDerWaalsContact O-CB 3.31Å; K108-M112 WeakPolarHBondContact O-CB 3.12Å; K108-M112 WeakPolarHBondContact O-CG 3.24Å; K108-M112 PolarHBondContact O-N 3.13Å; M112-A114 VanDerWaalsContact C-N 3.33Å
113	N	43.8	Very low	43.5	Very low	133 Å²	133	89.8 Å²	89.8	71%	0.711	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-9	172.2	-79.9	9.7	0	0	0	113	K109 S110 I111	K109-N113 WeakPolarHBondContact O-CB 3.24Å; K109-N113 PolarHBondContact O-N 3.34Å; S110-N113 PolarHBondContact O-N 3.28Å; I111-N113 VanDerWaalsContact C-N 3.25Å; I111-N113 PolarHBondContact O-N 3.42Å
114	A	40.2	Very low	43	Very low	51 Å²	51	90 Å²	90	42%	0.421	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	133.2	166.8	0	0	0	0	0	108.6	I111 M112 N116	I111-A114 PolarHBondContact O-N 2.87Å; I111-A114 VanDerWaalsContact O-N 3.16Å; M112-A114 VanDerWaalsContact C-N 3.33Å; A114-N116 PolarHBondContact O-N 3.08Å
115	N	39.5	Very low	43	Very low	154 Å²	154	91.5 Å²	91.5	82%	0.824	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	54.6	-176.7	-73	-17.6	0	0	0	112.8
116	N	45.2	Very low	42.6	Very low	108 Å²	108	91.9 Å²	91.9	58%	0.578	49%	0.491	S	S	*	.			trans	-110.4	73.4	-173.4	-116.2	-17.5	0	0	0	111.1	A114 N118 L119	A114-N116 PolarHBondContact O-N 3.08Å; N116-N118 PolarHBondContact O-N 2.98Å; N116-N118 VanDerWaalsContact O-N 3.09Å; N116-L119 PolarHBondContact O-N 2.7Å
117	H	43.9	Very low	42.1	Very low	152 Å²	152	90.8 Å²	90.8	70%	0.704	49%	0.486	S	S	*	.	H	α-helix	trans	-50.6	-36.3	-174.7	-77.3	-81.6	0	0	0	114.2	L119 S120	H117-L119 VanDerWaalsContact C-N 3.26Å; H117-L119 PolarHBondContact O-N 3.14Å; H117-S120 WeakPolarHBondContact O-CB 3.32Å; H117-S120 PolarHBondContact O-N 3.18Å; H117-S120 VanDerWaalsContact O-N 3.12Å
118	N	45.3	Very low	42	Very low	131 Å²	131	91 Å²	91	70%	0.701	49%	0.493	S	S	*	.	H	α-helix	trans	-58.1	-35	-179.9	-70	-12.3	0	0	0	113.2	N116 S120 T122	N116-N118 PolarHBondContact O-N 2.98Å; N116-N118 VanDerWaalsContact O-N 3.09Å; N118-S120 VanDerWaalsContact C-N 3.34Å; N118-T122 PolarHBondContact O-OG1 3.45Å
119	L	40.1	Very low	42.1	Very low	81 Å²	81	92.8 Å²	92.8	42%	0.424	51%	0.51	S	S	.	.	H	α-helix	trans	-77.6	-21.8	-178.2	-164.4	58.4	0	0	0	112.5	I111 N116 H117 L123	I111-L119 HydrophobicContact CD1-CD2 3.82Å; I111-L119 HydrophobicContact CD1-CG 4.35Å; I111-L119 HydrophobicContact CG1-CD2 3.9Å; I111-L119 HydrophobicContact CG2-CB 4.2Å; I111-L119 HydrophobicContact CG2-CD2 3.86Å; I111-L119 HydrophobicContact CG2-CG 4.06Å; N116-L119 PolarHBondContact O-N 2.7Å; H117-L119 VanDerWaalsContact C-N 3.26Å; H117-L119 PolarHBondContact O-N 3.14Å; L119-L123 PolarHBondContact O-N 2.77Å
120	S	38.6	Very low	41.9	Very low	32 Å²	32	90 Å²	90	22%	0.224	50%	0.5	C	S	.	.	H	α-helix	trans	-66.7	-45.5	173.9	-165.4	0	0	0	0	111.5	H117 N118 T122 L123 E124	H117-S120 WeakPolarHBondContact O-CB 3.32Å; H117-S120 PolarHBondContact O-N 3.18Å; H117-S120 VanDerWaalsContact O-N 3.12Å; N118-S120 VanDerWaalsContact C-N 3.34Å; S120-T122 VanDerWaalsContact C-N 3.33Å; S120-T122 PolarHBondContact O-N 3.34Å; S120-L123 WeakPolarHBondContact O-CB 3.43Å; S120-L123 PolarHBondContact O-N 2.81Å; S120-E124 PolarHBondContact O-N 2.87Å
121	N	44.9	Very low	41.5	Very low	101 Å²	101	91.1 Å²	91.1	54%	0.54	50%	0.5	S	S	.	.	H	α-helix	trans	-65.9	-36.5	-177.8	-63	-1.5	0	0	0	111.9	L123 E124 T125	N121-L123 VanDerWaalsContact C-N 3.31Å; N121-E124 PolarHBondContact O-N 2.79Å; N121-T125 PolarHBondContact O-N 3.04Å; N121-T125 VanDerWaalsContact O-N 3.1Å; N121-T125 PolarHBondContact O-OG1 2.95Å
122	T	44.8	Very low	41.5	Very low	75 Å²	75	92.5 Å²	92.5	46%	0.46	51%	0.511	S	S	.	.	H	α-helix	trans	-68.1	-30.1	173.4	-49.3	0	0	0	0	112.1	N118 S120 T125 N126	N118-T122 PolarHBondContact O-OG1 3.45Å; S120-T122 VanDerWaalsContact C-N 3.33Å; S120-T122 PolarHBondContact O-N 3.34Å; T122-T125 WeakPolarHBondContact CA-OG1 3.36Å; T122-T125 PolarHBondContact O-OG1 3.44Å; T122-N126 WeakPolarHBondContact O-CB 3.33Å; T122-N126 PolarHBondContact O-N 3.11Å; T122-N126 PolarHBondContact O-ND2 3.23Å
123	L	38.2	Very low	41.5	Very low	32 Å²	32	92.6 Å²	92.6	17%	0.168	52%	0.519	C	S	.	.	H	α-helix	trans	-75.2	-39.9	173.8	-88.1	164	0	0	0	112.6	L104 I111 L119 S120 N121 N126 L127	L104-L123 HydrophobicContact CD2-CD2 3.77Å; I111-L123 HydrophobicContact CD1-CD1 3.76Å; I111-L123 HydrophobicContact CG2-CD1 4.22Å; L119-L123 PolarHBondContact O-N 2.77Å; S120-L123 WeakPolarHBondContact O-CB 3.43Å; S120-L123 PolarHBondContact O-N 2.81Å; N121-L123 VanDerWaalsContact C-N 3.31Å; L123-N126 PolarHBondContact O-N 2.79Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 3.23Å
124	E	43.3	Very low	41.1	Very low	113 Å²	113	89.9 Å²	89.9	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-69.4	-36	179.1	-69.2	-169.5	152.7	0	0	112.7	S120 N121 L127 S128	S120-E124 PolarHBondContact O-N 2.87Å; N121-E124 PolarHBondContact O-N 2.79Å; E124-L127 PolarHBondContact O-N 2.92Å; E124-S128 PolarHBondContact O-N 3.05Å
125	T	47	Very low	40.9	Very low	81 Å²	81	89.2 Å²	89.2	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-67	-38.8	171.8	46	0	0	0	0	112.7	N121 T122 L127 S128 T129	N121-T125 PolarHBondContact O-N 3.04Å; N121-T125 VanDerWaalsContact O-N 3.1Å; N121-T125 PolarHBondContact O-OG1 2.95Å; T122-T125 WeakPolarHBondContact CA-OG1 3.36Å; T122-T125 PolarHBondContact O-OG1 3.44Å; T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 3.08Å; T125-S128 PolarHBondContact O-N 2.73Å; T125-S128 PolarHBondContact O-OG 3.43Å; T125-T129 PolarHBondContact O-N 3.18Å
126	N	39.3	Very low	40.9	Very low	83 Å²	83	88.5 Å²	88.5	44%	0.444	49%	0.489	S	S	.	.	H	α-helix	trans	-72.7	-18.5	173	-78.7	-66.2	0	0	0	114	T122 L123 T129	T122-N126 WeakPolarHBondContact O-CB 3.33Å; T122-N126 PolarHBondContact O-N 3.11Å; T122-N126 PolarHBondContact O-ND2 3.23Å; L123-N126 PolarHBondContact O-N 2.79Å; N126-T129 PolarHBondContact O-OG1 3.06Å
127	L	40.3	Very low	40.8	Very low	82 Å²	82	93.1 Å²	93.1	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-82.8	-29.6	169.9	-85.8	158.4	0	0	0	112.4	L123 E124 T125 L130	L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 PolarHBondContact O-N 3.23Å; E124-L127 PolarHBondContact O-N 2.92Å; T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 3.08Å; L127-L130 PolarHBondContact O-N 3Å
128	S	42.8	Very low	40.5	Very low	79 Å²	79	87.7 Å²	87.7	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-75.7	-27.8	178.9	75.9	0	0	0	0	113.3	E124 T125 L130 N131	E124-S128 PolarHBondContact O-N 3.05Å; T125-S128 PolarHBondContact O-N 2.73Å; T125-S128 PolarHBondContact O-OG 3.43Å; S128-L130 VanDerWaalsContact C-N 3.31Å; S128-L130 PolarHBondContact O-N 3.24Å; S128-N131 WeakPolarHBondContact O-CB 3.39Å
129	T	43.3	Very low	40	Very low	108 Å²	108	84.3 Å²	84.3	66%	0.663	46%	0.464	S	S	*	.	S	Bend	trans	-71.5	-21.4	173.1	53.2	0	0	0	0	113.4	T125 N126 N131	T125-T129 PolarHBondContact O-N 3.18Å; N126-T129 PolarHBondContact O-OG1 3.06Å; T129-N131 PolarHBondContact O-N 3.45Å
130	L	37.2	Very low	39.9	Very low	61 Å²	61	84.2 Å²	84.2	32%	0.319	47%	0.468	S	S	.	.			trans	-78.6	33.4	176.1	-77.8	167.3	0	0	0	113.8	L127 S128 T132 L135	L127-L130 PolarHBondContact O-N 3Å; S128-L130 VanDerWaalsContact C-N 3.31Å; S128-L130 PolarHBondContact O-N 3.24Å; L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.27Å; L130-L135 HydrophobicContact CB-CD1 4.15Å
131	N	33.6	Very low	40.1	Very low	108 Å²	108	87.4 Å²	87.4	58%	0.578	48%	0.482	S	S	*	.			trans	-75.1	66.4	-169.1	-166.5	12.5	0	0	0	114.1	S128 T129 K136	S128-N131 WeakPolarHBondContact O-CB 3.39Å; T129-N131 PolarHBondContact O-N 3.45Å; N131-K136 WeakPolarHBondContact OD1-CE 3.45Å; N131-K136 PolarHBondContact OD1-NZ 3.19Å
132	T	41.6	Very low	39.7	Very low	72 Å²	72	85.5 Å²	85.5	44%	0.442	47%	0.471	S	S	.	.			trans	-104.8	142.1	172.8	55.6	0	0	0	0	111.7	L130 S134 L135	L130-T132 VanDerWaalsContact C-N 3.3Å; L130-T132 PolarHBondContact O-N 3.27Å; T132-S134 PolarHBondContact O-N 3.25Å; T132-L135 PolarHBondContact O-N 2.87Å; T132-L135 VanDerWaalsContact O-N 3.09Å
133	P	37.6	Very low	39.4	Very low	108 Å²	108	85.2 Å²	85.2	70%	0.701	47%	0.467	S	S	*	.	H	α-helix	trans	-57.9	-32.4	-178.5	-27.7	35.9	0	0	0	114.5	L135 K136 R137	P133-L135 VanDerWaalsContact C-N 3.32Å; P133-L135 PolarHBondContact O-N 3.45Å; P133-K136 PolarHBondContact O-N 2.78Å; P133-R137 PolarHBondContact O-N 2.98Å
134	S	36.3	Very low	39.6	Very low	75 Å²	75	91.9 Å²	91.9	52%	0.524	49%	0.494	S	S	.	.	H	α-helix	trans	-60	-40.4	176.4	-51.5	0	0	0	0	112.4	T132 R137 A138	T132-S134 PolarHBondContact O-N 3.25Å; S134-R137 PolarHBondContact O-N 3.02Å; S134-A138 PolarHBondContact O-N 3.43Å
135	L	36.5	Very low	39.3	Very low	37 Å²	37	93.9 Å²	93.9	19%	0.194	50%	0.497	C	S	.	.	H	α-helix	trans	-69	-39.2	-178.7	-115.5	153.1	0	0	0	112.1	I101 L130 T132 P133 R137 A138 V139	I101-L135 HydrophobicContact CD1-CD1 4.04Å; I101-L135 HydrophobicContact CD1-CD2 4.27Å; I101-L135 HydrophobicContact CD1-CG 4.44Å; L130-L135 HydrophobicContact CB-CD1 4.15Å; T132-L135 PolarHBondContact O-N 2.87Å; T132-L135 VanDerWaalsContact O-N 3.09Å; P133-L135 VanDerWaalsContact C-N 3.32Å; P133-L135 PolarHBondContact O-N 3.45Å; L135-R137 PolarHBondContact O-N 3.19Å; L135-A138 PolarHBondContact O-N 2.93Å; L135-V139 HydrophobicContact CD2-CG2 4.17Å; L135-V139 PolarHBondContact O-N 3.16Å; L135-V139 VanDerWaalsContact O-N 3.12Å
136	K	39.4	Very low	38.7	Very low	140 Å²	140	95.1 Å²	95.1	61%	0.609	49%	0.493	S	S	*	.	H	α-helix	trans	-61.9	-24.8	174.3	-78.3	173.8	169.3	162.9	0	113.4	N131 P133 P140	N131-K136 WeakPolarHBondContact OD1-CE 3.45Å; N131-K136 PolarHBondContact OD1-NZ 3.19Å; P133-K136 PolarHBondContact O-N 2.78Å; K136-P140 WeakPolarHBondContact O-CD 3.45Å
137	R	43.1	Very low	38.5	Very low	204 Å²	204	95.2 Å²	95.2	77%	0.77	49%	0.494	S	S	*	.	H	α-helix	trans	-82.7	-30.5	169.6	-70.8	-178.3	177.1	161.6	-0.2	113.4	P133 S134 L135 I141	P133-R137 PolarHBondContact O-N 2.98Å; S134-R137 PolarHBondContact O-N 3.02Å; L135-R137 PolarHBondContact O-N 3.19Å; R137-I141 WeakPolarHBondContact O-CD1 3.34Å; R137-I141 WeakPolarHBondContact O-CG1 3.5Å
138	A	36.9	Very low	38.3	Very low	38 Å²	38	98.4 Å²	98.4	31%	0.314	50%	0.504	S	S	.	.	H	α-helix	trans	-76	-44.2	-175	0	0	0	0	0	113.4	S134 L135 I141 I142	S134-A138 PolarHBondContact O-N 3.43Å; L135-A138 PolarHBondContact O-N 2.93Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.29Å; A138-I141 VanDerWaalsContact O-N 3.09Å; A138-I142 HydrophobicContact CB-CD1 4.5Å; A138-I142 WeakPolarHBondContact O-CG1 3.14Å; A138-I142 PolarHBondContact O-N 2.97Å; A138-I142 VanDerWaalsContact O-N 3.09Å
139	V	36.2	Very low	37.9	Very low	61 Å²	61	97.3 Å²	97.3	37%	0.37	50%	0.496	S	S	.	.	H	α-helix	trans	-55.6	-50.7	-174	173.2	0	0	0	0	112.8	L135 I141 I142 D143	L135-V139 HydrophobicContact CD2-CG2 4.17Å; L135-V139 PolarHBondContact O-N 3.16Å; L135-V139 VanDerWaalsContact O-N 3.12Å; V139-I141 PolarHBondContact O-N 3.02Å; V139-I141 VanDerWaalsContact O-N 3.14Å; V139-I142 PolarHBondContact O-N 3.27Å; V139-D143 PolarHBondContact O-N 3.29Å
140	P	37.4	Very low	37.4	Very low	78 Å²	78	94.7 Å²	94.7	51%	0.506	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-26.3	179.5	-23	34.7	0	0	0	114	K136 K144	K136-P140 WeakPolarHBondContact O-CD 3.45Å; P140-K144 WeakPolarHBondContact O-CB 3.39Å; P140-K144 PolarHBondContact O-N 3.15Å
141	I	43.3	Very low	37.2	Very low	100 Å²	100	97.5 Å²	97.5	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-77.2	-33.9	177.7	-60.3	174.1	0	0	0	110.6	R137 A138 V139 R145	R137-I141 WeakPolarHBondContact O-CD1 3.34Å; R137-I141 WeakPolarHBondContact O-CG1 3.5Å; A138-I141 WeakPolarHBondContact O-CB 3.45Å; A138-I141 PolarHBondContact O-N 3.29Å; A138-I141 VanDerWaalsContact O-N 3.09Å; V139-I141 PolarHBondContact O-N 3.02Å; V139-I141 VanDerWaalsContact O-N 3.14Å; I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 WeakPolarHBondContact O-CG 3.45Å; I141-R145 PolarHBondContact O-N 3.48Å
142	I	36.3	Very low	37.1	Very low	60 Å²	60	101.7 Å²	101.7	31%	0.308	50%	0.501	S	S	.	.	H	α-helix	trans	-70	-49.4	176.2	-65.9	166.2	0	0	0	109.8	M105 A138 V139 K144 R145 Y146	M105-I142 HydrophobicContact CE-CG2 3.79Å; A138-I142 HydrophobicContact CB-CD1 4.5Å; A138-I142 WeakPolarHBondContact O-CG1 3.14Å; A138-I142 PolarHBondContact O-N 2.97Å; A138-I142 VanDerWaalsContact O-N 3.09Å; V139-I142 PolarHBondContact O-N 3.27Å; I142-K144 PolarHBondContact O-N 2.88Å; I142-R145 PolarHBondContact O-N 3.31Å; I142-R145 VanDerWaalsContact O-N 3.09Å; I142-Y146 WeakPolarHBondContact O-CB 3.27Å; I142-Y146 PolarHBondContact O-N 2.96Å
143	D	37	Very low	36.6	Very low	70 Å²	70	105 Å²	105	37%	0.374	52%	0.516	S	S	.	.	H	α-helix	trans	-59.7	-44.7	177.4	-70	-31.4	0	0	0	112	V139 R145 Y146 N147	V139-D143 PolarHBondContact O-N 3.29Å; D143-R145 PolarHBondContact O-N 3.49Å; D143-Y146 PolarHBondContact O-N 3.08Å; D143-N147 WeakPolarHBondContact O-CB 3.48Å; D143-N147 PolarHBondContact O-N 3.42Å; D143-N147 PolarHBondContact O-ND2 3.34Å
144	K	42.5	Very low	36.1	Very low	172 Å²	172	105.7 Å²	105.7	75%	0.748	51%	0.513	S	S	*	.	H	α-helix	trans	-67.2	-20.5	179	-150.1	166.9	-164.2	169.8	0	112.9	P140 I142 K148	P140-K144 WeakPolarHBondContact O-CB 3.39Å; P140-K144 PolarHBondContact O-N 3.15Å; I142-K144 PolarHBondContact O-N 2.88Å; K144-K148 WeakPolarHBondContact O-CB 3.21Å
145	R	36.8	Very low	35.5	Very low	154 Å²	154	108.4 Å²	108.4	58%	0.581	52%	0.522	S	S	*	.	H	α-helix	trans	-83.8	-46.3	169.1	-80.6	177.1	163.9	174.8	-6.1	111.9	I141 I142 D143 K148 S149	I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 WeakPolarHBondContact O-CG 3.45Å; I141-R145 PolarHBondContact O-N 3.48Å; I142-R145 PolarHBondContact O-N 3.31Å; I142-R145 VanDerWaalsContact O-N 3.09Å; D143-R145 PolarHBondContact O-N 3.49Å; R145-K148 CarbonylContact O-C 3.55Å; R145-K148 PolarHBondContact O-N 2.99Å; R145-K148 VanDerWaalsContact O-N 3.13Å; R145-S149 PolarHBondContact O-N 3.12Å; R145-S149 PolarHBondContact O-OG 3.22Å
146	Y	34.4	Very low	35	Very low	108 Å²	108	111.2 Å²	111.2	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-46.1	-179.1	-177.1	-112	0	0	0	112.1	I142 D143 K148 S149 I150	I142-Y146 WeakPolarHBondContact O-CB 3.27Å; I142-Y146 PolarHBondContact O-N 2.96Å; D143-Y146 PolarHBondContact O-N 3.08Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 3.47Å; Y146-S149 WeakPolarHBondContact CA-OG 3.46Å; Y146-S149 PolarHBondContact O-N 3.48Å; Y146-S149 PolarHBondContact O-OG 2.95Å; Y146-I150 HydrophobicContact CD1-CD1 4Å; Y146-I150 HydrophobicContact CE1-CD1 3.48Å; Y146-I150 VanDerWaalsContact CE1-CD1 3.48Å; Y146-I150 HydrophobicContact CE1-CG1 4.45Å; Y146-I150 HydrophobicContact CE2-CD1 4.5Å; Y146-I150 PolarHBondContact O-N 2.97Å
147	N	35.3	Very low	34.2	Very low	85 Å²	85	112.4 Å²	112.4	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-64.6	-33.1	175	-67.3	-22.6	0	0	0	112	D143 S149 I150 N151	D143-N147 WeakPolarHBondContact O-CB 3.48Å; D143-N147 PolarHBondContact O-N 3.42Å; D143-N147 PolarHBondContact O-ND2 3.34Å; N147-S149 VanDerWaalsContact C-N 3.28Å; N147-S149 PolarHBondContact O-N 3.36Å; N147-I150 PolarHBondContact O-N 2.85Å; N147-N151 WeakPolarHBondContact O-CB 3.41Å; N147-N151 PolarHBondContact O-N 3.26Å; N147-N151 PolarHBondContact O-OD1 3.02Å
148	K	37.2	Very low	33.3	Very low	148 Å²	148	109.3 Å²	109.3	64%	0.643	55%	0.551	S	S	*	*	H	α-helix	trans	-72.3	-18.4	174.2	-166.4	167.7	-175.3	173.4	0	113.4	K144 R145 Y146	K144-K148 WeakPolarHBondContact O-CB 3.21Å; R145-K148 CarbonylContact O-C 3.55Å; R145-K148 PolarHBondContact O-N 2.99Å; R145-K148 VanDerWaalsContact O-N 3.13Å; Y146-K148 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 3.47Å
149	S	34.3	Very low	32.6	Very low	56 Å²	56	117.2 Å²	117.2	39%	0.392	57%	0.574	S	S	.	*	H	α-helix	trans	-85.1	-37	166.2	34.6	0	0	0	0	113.6	R145 Y146 N147 N151 R152 L153	R145-S149 PolarHBondContact O-N 3.12Å; R145-S149 PolarHBondContact O-OG 3.22Å; Y146-S149 WeakPolarHBondContact CA-OG 3.46Å; Y146-S149 PolarHBondContact O-N 3.48Å; Y146-S149 PolarHBondContact O-OG 2.95Å; N147-S149 VanDerWaalsContact C-N 3.28Å; N147-S149 PolarHBondContact O-N 3.36Å; S149-N151 VanDerWaalsContact C-N 3.35Å; S149-R152 WeakPolarHBondContact O-CB 3.34Å; S149-R152 PolarHBondContact O-N 3.03Å; S149-R152 VanDerWaalsContact O-N 3.07Å; S149-L153 PolarHBondContact O-N 3.35Å
150	I	33.1	Very low	32	Very low	53 Å²	53	122.1 Å²	122.1	27%	0.272	59%	0.592	S	S	.	*	H	α-helix	trans	-62.5	-43.4	174.1	-72.2	178.5	0	0	0	110.8	Y146 N147 R152 L153 N154	Y146-I150 HydrophobicContact CD1-CD1 4Å; Y146-I150 HydrophobicContact CE1-CD1 3.48Å; Y146-I150 VanDerWaalsContact CE1-CD1 3.48Å; Y146-I150 HydrophobicContact CE1-CG1 4.45Å; Y146-I150 HydrophobicContact CE2-CD1 4.5Å; Y146-I150 PolarHBondContact O-N 2.97Å; N147-I150 PolarHBondContact O-N 2.85Å; I150-R152 PolarHBondContact O-N 2.87Å; I150-L153 PolarHBondContact O-N 3.04Å; I150-N154 PolarHBondContact O-N 3.04Å; I150-N154 VanDerWaalsContact O-N 3.08Å
151	N	32.6	Very low	31.4	Very low	120 Å²	120	125.9 Å²	125.9	64%	0.642	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	6.1	175.1	-65.6	9.8	0	0	0	114	N147 S149	N147-N151 WeakPolarHBondContact O-CB 3.41Å; N147-N151 PolarHBondContact O-N 3.26Å; N147-N151 PolarHBondContact O-OD1 3.02Å; S149-N151 VanDerWaalsContact C-N 3.35Å
152	R	32	Very low	30.4	Very low	197 Å²	197	127.2 Å²	127.2	74%	0.743	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-10.5	168.1	-74	177.8	165.4	-171.1	-5.7	113.5	S149 I150	S149-R152 WeakPolarHBondContact O-CB 3.34Å; S149-R152 PolarHBondContact O-N 3.03Å; S149-R152 VanDerWaalsContact O-N 3.07Å; I150-R152 PolarHBondContact O-N 2.87Å
153	L	31.1	Very low	30	Very low	142 Å²	142	132.2 Å²	132.2	74%	0.743	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	-29.2	175.9	-74.1	162.3	0	0	0	111.6	S149 I150 N155	S149-L153 PolarHBondContact O-N 3.35Å; I150-L153 PolarHBondContact O-N 3.04Å; L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.25Å
154	N	26	Very low	29.4	Very low	121 Å²	121	137.9 Å²	137.9	65%	0.647	67%	0.665	S	S	*	*			trans	-90.7	36.4	179	-69.5	6.7	0	0	0	113.8	I150 P156	I150-N154 PolarHBondContact O-N 3.04Å; I150-N154 VanDerWaalsContact O-N 3.08Å; N154-P156 WeakPolarHBondContact O-CD 3.1Å
155	N	24.2	Very low	28.8	Very low	133 Å²	133	138 Å²	138	71%	0.711	67%	0.668	S	S	*	*			trans	-94.2	107	165.1	-97.2	13.7	0	0	0	108.7	L153	L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.25Å
156	P	25.3	Very low	28.2	Very low	95 Å²	95	135.9 Å²	135.9	62%	0.617	68%	0.677	S	S	*	*			trans	-66.9	156.2	170.4	29.4	-33.9	0	0	0	110.6	N154 I158	N154-P156 WeakPolarHBondContact O-CD 3.1Å; P156-I158 HydrophobicContact CG-CD1 4.4Å; P156-I158 HydrophobicContact CG-CG1 4.26Å; P156-I158 PolarHBondContact O-N 3.36Å
157	I	23.6	Very low	27.9	Very low	165 Å²	165	138.2 Å²	138.2	85%	0.846	70%	0.695	S	S	*	*			trans	-73	91.9	174.7	-58.9	172.6	0	0	0	108.2
158	I	23.3	Very low	27.5	Very low	140 Å²	140	143.4 Å²	143.4	72%	0.718	71%	0.714	S	S	*	*			trans	-85.9	116.6	170.9	-65.4	175.5	0	0	0	107.8	P156 H160	P156-I158 HydrophobicContact CG-CD1 4.4Å; P156-I158 HydrophobicContact CG-CG1 4.26Å; P156-I158 PolarHBondContact O-N 3.36Å; I158-H160 PolarHBondContact O-N 3.49Å
159	Y	23	Very low	26.7	Very low	203 Å²	203	142.8 Å²	142.8	80%	0.796	72%	0.723	S	S	*	*			trans	-60.7	131.4	163	-89.5	-101.7	0	0	0	109	N161	Y159-N161 PolarHBondContact O-N 2.94Å
160	H	23.8	Very low	26.3	Very low	164 Å²	164	148.5 Å²	148.5	76%	0.759	75%	0.747	S	S	*	*			trans	-62.4	111.5	162.8	-105.7	-84.8	0	0	0	108.1	I158 D162	I158-H160 PolarHBondContact O-N 3.49Å; H160-D162 IonicContact CE1-OD1 2.72Å; H160-D162 IonicContact CG-OD1 3.81Å; H160-D162 IonicContact ND1-OD1 3.47Å; H160-D162 PolarHBondContact ND1-OD1 3.39Å; H160-D162 IonicContact ND1-OD2 2.76Å
161	N	23.8	Very low	25.8	Very low	157 Å²	157	150.6 Å²	150.6	84%	0.84	77%	0.767	S	S	*	*			trans	-130.1	90.6	163.9	-153.2	17.1	0	0	0	106.1	Y159 N163	Y159-N161 PolarHBondContact O-N 2.94Å; N161-N163 PolarHBondContact O-N 3.45Å; N161-N163 VanDerWaalsContact O-N 3.1Å
162	D	23.7	Very low	25.5	Very low	129 Å²	129	153.7 Å²	153.7	69%	0.69	78%	0.779	S	S	*	*			trans	-72.9	104	-170.2	-71.9	-11.6	0	0	0	110.4	H160	H160-D162 IonicContact CE1-OD1 2.72Å; H160-D162 IonicContact CG-OD1 3.81Å; H160-D162 IonicContact ND1-OD1 3.47Å; H160-D162 PolarHBondContact ND1-OD1 3.39Å; H160-D162 IonicContact ND1-OD2 2.76Å
163	N	26.8	Very low	25.1	Very low	164 Å²	164	151.9 Å²	151.9	88%	0.877	79%	0.785	S	S	*	*			trans	-143.8	145.9	155.3	-108	-41.5	0	0	0	111.4	N161	N161-N163 PolarHBondContact O-N 3.45Å; N161-N163 VanDerWaalsContact O-N 3.1Å
164	K	24.9	Very low	25	Very low	190 Å²	190	150.9 Å²	150.9	83%	0.826	79%	0.789	S	S	*	*			trans	-103.4	175.2	-166	-64.4	177.4	176.4	171.3	0	112.5
165	Q	29.4	Very low	24.8	Very low	173 Å²	173	152.4 Å²	152.4	81%	0.808	80%	0.797	S	S	*	*			trans	79	100.6	155.2	-70.4	172.7	-19.8	0	0	119.1
166	S	24	Very low	25.1	Very low	111 Å²	111	155.1 Å²	155.1	78%	0.776	81%	0.805	S	S	*	*			trans	67.5	153.9	132.1	66.4	0	0	0	0	118.1
167	I	28.7	Very low	25	Very low	156 Å²	156	156.9 Å²	156.9	80%	0.8	81%	0.81	S	S	*	*			cis	-137.1	162.2	36.7	-76	174	0	0	0	113.3
168	K	26.7	Very low	25.4	Very low	195 Å²	195	156.3 Å²	156.3	85%	0.848	80%	0.803	S	S	*	*			trans	-31.1	146.3	177.9	-59.7	173.1	178.4	176.2	0	118.3
169	T	21.2	Very low	25.5	Very low	134 Å²	134	159 Å²	159	82%	0.822	81%	0.806	S	S	*	*			trans	-64.8	153.3	152	40.6	0	0	0	0	113
170	I	26.1	Very low	25.6	Very low	176 Å²	176	156.2 Å²	156.2	90%	0.903	80%	0.804	S	S	*	*			trans	-147.8	145.2	134.4	-100.6	159.7	0	0	0	106.9
171	S	22.2	Very low	25.9	Very low	98 Å²	98	156.6 Å²	156.6	69%	0.685	80%	0.804	S	S	*	*			trans	-120.4	151.3	-176.9	55.3	0	0	0	0	111.1
172	M	26.1	Very low	26.1	Very low	184 Å²	184	155 Å²	155	91%	0.906	80%	0.795	S	S	*	*			trans	-155.1	148.2	139.3	-92.4	-49.4	168.9	0	0	110.5
173	N	22.3	Very low	26.3	Very low	160 Å²	160	155.1 Å²	155.1	86%	0.856	80%	0.796	S	S	*	*			trans	-108.5	148.6	175	-73.5	-23.5	0	0	0	110.4
174	S	29	Very low	26.4	Very low	121 Å²	121	159 Å²	159	85%	0.846	80%	0.798	S	S	*	*				-168.1	147.9	129.8	52.6	0	0	0	0	111.3
175	N	22.9	Very low	26.3	Very low	152 Å²	152	157.6 Å²	157.6	81%	0.813	80%	0.799	S	S	*	*			trans	-95	155.7	-178.2	-57	-43.3	0	0	0	111.4
176	H	30.1	Very low	26.4	Very low	190 Å²	190	154.7 Å²	154.7	88%	0.88	80%	0.795	S	S	*	*				-159	156.9	128.3	-110.6	-71.2	0	0	0	112.2
177	N	24.4	Very low	26.4	Very low	132 Å²	132	153.5 Å²	153.5	71%	0.706	79%	0.787	S	S	*	*			trans	-87.1	148.3	179.8	-51.4	-46.9	0	0	0	111.4
178	H	30.1	Very low	26.4	Very low	153 Å²	153	153.1 Å²	153.1	71%	0.708	79%	0.787	S	S	*	*				-179.5	154.2	109	-104.2	-68.5	0	0	0	115.5
179	Y	26.7	Very low	26.3	Very low	197 Å²	197	150.4 Å²	150.4	77%	0.773	78%	0.781	S	S	*	*			trans	49.7	105	155.7	-72.7	-68.5	0	0	0	122.1
180	N	25.5	Very low	26.4	Very low	144 Å²	144	152 Å²	152	77%	0.77	78%	0.781	S	S	*	*				2.6	144.2	116.8	-83.9	-32.2	0	0	0	116.8
181	K	29.4	Very low	26.3	Very low	173 Å²	173	149.4 Å²	149.4	75%	0.752	77%	0.768	S	S	*	*			cis	-162	163.2	31.2	-121.9	166.9	176.3	-173.6	0	107.7
182	N	27.9	Very low	26.4	Very low	122 Å²	122	151.3 Å²	151.3	65%	0.652	77%	0.769	S	S	*	*				-168.5	175.8	53.1	-124.4	6.7	0	0	0	111.6
183	D	28.5	Very low	26.3	Very low	132 Å²	132	148.4 Å²	148.4	71%	0.706	76%	0.757	S	S	*	*			trans	54.9	101	158.4	-52.3	-15.5	0	0	0	118.7
184	R	27.5	Very low	26.3	Very low	246 Å²	246	146.3 Å²	146.3	93%	0.928	75%	0.75	S	S	*	*			cis	-154.8	138.5	45.3	-71.7	-179.1	176.5	-167.2	-2.9	113.8
185	L	23.7	Very low	26.2	Very low	161 Å²	161	146.8 Å²	146.8	84%	0.843	75%	0.748	S	S	*	*			trans	-146.8	151.7	165.7	-96.6	169.5	0	0	0	106.6
186	P	30.6	Very low	26.2	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	74%	0.742	S	S	*	*				-120.8	152.3	73.6	1.8	21.8	0	0	0	112.6
187	S	25.1	Very low	25.8	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	74%	0.738	S	S	*	*				71.3	146.4	68	106.4	0	0	0	0	113.3
188	N	28	Very low	25.8	Very low	148 Å²	148	142 Å²	142	79%	0.791	74%	0.738	S	S	*	*			cis	-148.6	-179.5	22.7	-129.5	-17.3	0	0	0	114
189	N	24.7	Very low	25.4	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	74%	0.742	S	S	*	*			trans	-77	166.4	179.5	-70.1	-39.9	0	0	0	114.7
190	M	23.5	Very low	25.2	Very low	167 Å²	167	138.4 Å²	138.4	82%	0.823	74%	0.743	S	S	*	*			trans	71.3	147.2	150.9	-78.5	165.9	79.1	0	0	117.9
191	I	23.8	Very low	25.2	Very low	122 Å²	122	137 Å²	137	63%	0.626	74%	0.74	S	S	*	*			cis	-165.8	142.6	-17.2	-136.2	177.6	0	0	0	109.6
192	I	23.9	Very low	25	Very low	138 Å²	138	135.1 Å²	135.1	71%	0.708	74%	0.744	S	S	*	*			trans	56.6	151.9	151.1	-65.7	163.5	0	0	0	118.1
193	D	24.1	Very low	25	Very low	124 Å²	124	134.1 Å²	134.1	66%	0.663	74%	0.742	S	S	*	*			cis	-138.3	143.2	9.1	-126.5	-32.5	0	0	0	108.6
194	T	23.9	Very low	25	Very low	115 Å²	115	134.9 Å²	134.9	71%	0.706	75%	0.751	S	S	*	*				33.5	137.5	98.4	94.6	0	0	0	0	116.9
195	T	25	Very low	25	Very low	131 Å²	131	131.5 Å²	131.5	80%	0.804	74%	0.744	S	S	*	*			cis	-140.2	-165	9.9	54.3	0	0	0	0	109.2
196	S	23	Very low	25.3	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	74%	0.737	S	S	*	*			cis	-160.1	162.8	5.4	91.9	0	0	0	0	113.4
197	M	23.3	Very low	25.3	Very low	161 Å²	161	129.5 Å²	129.5	79%	0.793	74%	0.736	S	S	*	*			trans	55.9	136.4	150.3	-77.1	-63.3	-177.5	0	0	125.1
198	T	23.8	Very low	25.3	Very low	113 Å²	113	131 Å²	131	69%	0.693	74%	0.742	S	S	*	*			trans	63.1	117.3	150.4	46.9	0	0	0	0	121.9
199	C	21.7	Very low	25.4	Very low	117 Å²	117	130.8 Å²	130.8	79%	0.791	75%	0.746	S	S	*	*				33.8	138.4	125.4	-46.5	0	0	0	0	119.4
200	I	23.2	Very low	25.4	Very low	158 Å²	158	134.7 Å²	134.7	81%	0.81	75%	0.751	S	S	*	*				-157.7	162.6	62.2	-85.8	178.6	0	0	0	112.1
201	T	23.7	Very low	25.5	Very low	114 Å²	114	132.3 Å²	132.3	70%	0.699	75%	0.746	S	S	*	*			trans	-58.1	155.1	176.7	53.6	0	0	0	0	117.1
202	T	26.6	Very low	25.7	Very low	135 Å²	135	131.5 Å²	131.5	83%	0.828	75%	0.751	S	S	*	*			trans	-125.2	161.7	151	50.5	0	0	0	0	110.4
203	T	28	Very low	25.9	Very low	100 Å²	100	131.9 Å²	131.9	61%	0.613	75%	0.754	S	S	*	*				-175.2	141.1	-60.9	31.9	0	0	0	0	108.2
204	T	27.3	Very low	26	Very low	148 Å²	148	133 Å²	133	91%	0.908	76%	0.759	S	S	*	*			trans	-125.8	135.6	159.7	45.1	0	0	0	0	110.7
205	K	28.1	Very low	26.1	Very low	176 Å²	176	133.7 Å²	133.7	77%	0.765	76%	0.758	S	S	*	*			trans	-104.8	-179.8	-171.1	-57.5	175.5	174.9	174.8	0	109.9
206	T	29.8	Very low	26.2	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	75%	0.748	S	S	*	*			cis	-164.9	177.1	13.9	-18	0	0	0	0	112.6
207	T	30.2	Very low	26.4	Very low	114 Å²	114	138.3 Å²	138.3	70%	0.699	76%	0.756	S	S	*	*			trans	75.9	83.5	143.5	43.9	0	0	0	0	124.3
208	T	25.5	Very low	26.5	Very low	119 Å²	119	137.7 Å²	137.7	73%	0.73	75%	0.75	S	S	*	*				33.8	132.2	108.4	60.8	0	0	0	0	124.1
209	T	30.2	Very low	26.8	Very low	142 Å²	142	140.6 Å²	140.6	87%	0.871	76%	0.756	S	S	*	*				162.8	170.9	118.9	38.1	0	0	0	0	111.4
210	R	25.1	Very low	27.1	Very low	219 Å²	219	139.5 Å²	139.5	83%	0.826	75%	0.749	S	S	*	*				-162.1	116.8	-58.8	-170.7	-172.1	161.4	151.3	-2.1	111.3
211	T	25.1	Very low	27.3	Very low	117 Å²	117	140.8 Å²	140.8	72%	0.718	75%	0.752	S	S	*	*			trans	50.9	132.1	153.8	60.4	0	0	0	0	124.3
212	S	28.4	Very low	27.6	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	75%	0.752	S	S	*	*				175.6	137.9	108.6	44.7	0	0	0	0	116
213	N	27.1	Very low	27.4	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	75%	0.752	S	S	*	*			trans	52	157	146.2	-50.5	-11.9	0	0	0	121.5
214	L	27.8	Very low	27.3	Very low	146 Å²	146	144.8 Å²	144.8	76%	0.764	76%	0.763	S	S	*	*			cis	-139.2	141.7	14	-96.6	98.1	0	0	0	115.2
215	L	26.3	Very low	27.1	Very low	130 Å²	130	145.3 Å²	145.3	68%	0.681	76%	0.758	S	S	*	*			trans	44.1	126.7	135.6	-81.6	67.6	0	0	0	126.4
216	N	25.8	Very low	27	Very low	112 Å²	112	145.2 Å²	145.2	60%	0.599	76%	0.76	S	S	*	*				66.2	123.6	125.1	-59.7	6.8	0	0	0	123.9
217	Y	26.9	Very low	26.8	Very low	216 Å²	216	147.2 Å²	147.2	85%	0.847	77%	0.767	S	S	*	*				-158.7	171.8	80.3	-116.9	-86.9	0	0	0	113.2
218	H	27.1	Very low	26.5	Very low	147 Å²	147	152.6 Å²	152.6	68%	0.681	77%	0.774	S	S	*	*			trans	-84.5	148.7	-163.8	-77.2	-114.4	0	0	0	116.5
219	H	29.2	Very low	26.4	Very low	175 Å²	175	154.4 Å²	154.4	81%	0.81	78%	0.779	S	S	*	*				-169.4	123.7	105.6	-111.3	-79	0	0	0	115.2
220	S	28.5	Very low	26.1	Very low	93 Å²	93	155 Å²	155	65%	0.65	78%	0.777	S	S	*	*			trans	36.5	94.2	150.7	48.9	0	0	0	0	121.5
221	E	25.7	Very low	26.1	Very low	185 Å²	185	154.5 Å²	154.5	86%	0.864	78%	0.781	S	S	*	*				36.2	156.8	115.5	-70.5	-164.5	150.3	0	0	123.9
222	P	30.2	Very low	26	Very low	108 Å²	108	156.7 Å²	156.7	70%	0.701	79%	0.788	S	S	*	*			cis	-136.1	163.3	-27.1	35.8	-19	0	0	0	114.8
223	N	23.6	Very low	25.7	Very low	155 Å²	155	163 Å²	163	83%	0.829	80%	0.796	S	S	*	*			trans	-88.8	142.4	158.2	-77.1	-66.6	0	0	0	109.6
224	M	25.5	Very low	25.7	Very low	171 Å²	171	161.4 Å²	161.4	84%	0.842	80%	0.796	S	S	*	*			trans	-101.8	126.8	156.8	-72.5	-145.9	74.1	0	0	110.3
225	I	23.2	Very low	25.5	Very low	158 Å²	158	159.8 Å²	159.8	81%	0.81	80%	0.797	S	S	*	*			trans	-119.7	92.1	166.3	-59.5	175.1	0	0	0	106.7
226	E	25.4	Very low	25.3	Very low	174 Å²	174	163 Å²	163	81%	0.813	81%	0.808	S	S	*	*			trans	-162.7	103	158.4	-119.3	161.3	-151.4	0	0	109.9
227	D	25.8	Very low	25.2	Very low	158 Å²	158	162 Å²	162	85%	0.845	81%	0.81	S	S	*	*			trans	-167.4	106.7	135	-121.5	-24.9	0	0	0	109.9
228	R	23.8	Very low	25	Very low	228 Å²	228	157.6 Å²	157.6	86%	0.86	81%	0.811	S	S	*	*			trans	-122.5	135.5	167.9	-87.6	-172.1	171.5	-172.5	-0.9	108.3
229	N	23.8	Very low	25	Very low	156 Å²	156	158.6 Å²	158.6	83%	0.834	81%	0.81	S	S	*	*	S	Bend	trans	78.1	63.9	169.9	-46.9	-36.2	0	0	0	117.3
230	L	23.7	Very low	24.7	Very low	156 Å²	156	155 Å²	155	82%	0.817	81%	0.805	S	S	*	*			trans	-153.2	73.6	154.7	-114.7	165.1	0	0	0	114.1
231	F	26.1	Very low	24.5	Very low	207 Å²	207	157.8 Å²	157.8	91%	0.908	81%	0.811	S	S	*	*			trans	-173.4	91.2	141.2	-111	-69.4	0	0	0	110.7
232	N	22.2	Very low	24.5	Very low	163 Å²	163	154.1 Å²	154.1	87%	0.872	80%	0.802	S	S	*	*			trans	-135.7	67.3	178.4	-164.9	8.9	0	0	0	111.6
233	R	22.9	Very low	24.2	Very low	238 Å²	238	153.5 Å²	153.5	90%	0.898	80%	0.8	S	S	*	*			trans	-155.5	88.2	174	-104.3	-175.1	-177.6	-164.1	1.2	112.2
234	S	25.4	Very low	24.2	Very low	113 Å²	113	150.7 Å²	150.7	79%	0.79	78%	0.783	S	S	*	*	S	Bend	trans	179.7	131.3	139.7	32.5	0	0	0	0	112.5
235	S	24.5	Very low	24.1	Very low	112 Å²	112	149.5 Å²	149.5	78%	0.783	78%	0.779	S	S	*	*			trans	36.4	103.9	157.7	54.7	0	0	0	0	119.4
236	H	22.7	Very low	24.1	Very low	197 Å²	197	146.9 Å²	146.9	91%	0.912	77%	0.774	S	S	*	*			trans	-55.8	136.5	164.1	-64.7	-67.8	0	0	0	112.8
237	S	23.4	Very low	24.1	Very low	91 Å²	91	147 Å²	147	64%	0.636	77%	0.767	S	S	*	*			trans	-134.7	109.1	144.9	66.2	0	0	0	0	109.4	Y239	S237-Y239 PolarHBondContact O-N 3.3Å
238	S	23.3	Very low	24	Very low	125 Å²	125	144.2 Å²	144.2	87%	0.874	76%	0.76	S	S	*	*			trans	-81.9	76.2	-172.9	37.4	0	0	0	0	111.7	S240	S238-S240 PolarHBondContact O-N 3.36Å
239	Y	25.9	Very low	24	Very low	167 Å²	167	143.6 Å²	143.6	66%	0.655	76%	0.759	S	S	*	*			trans	-68	100.5	163.5	-75	-83.4	0	0	0	109.5	S237 L241	S237-Y239 PolarHBondContact O-N 3.3Å; Y239-L241 PolarHBondContact O-N 3.25Å
240	S	24	Very low	23.9	Very low	100 Å²	100	140.7 Å²	140.7	70%	0.699	75%	0.751	S	S	*	*			trans	-58.3	122.5	172.3	-176.4	0	0	0	0	109.9	S238 T242	S238-S240 PolarHBondContact O-N 3.36Å; S240-T242 PolarHBondContact O-N 3.35Å
241	L	24.1	Very low	23.9	Very low	151 Å²	151	141.2 Å²	141.2	79%	0.791	75%	0.751	S	S	*	*	S	Bend	trans	-79.1	22.4	-165.4	-118.4	159.8	0	0	0	114	Y239	Y239-L241 PolarHBondContact O-N 3.25Å
242	T	24.6	Very low	23.8	Very low	109 Å²	109	138 Å²	138	67%	0.669	74%	0.743	S	S	*	*			trans	-105.9	42.9	-174.1	-37.1	0	0	0	0	112.2	S240 M244	S240-T242 PolarHBondContact O-N 3.35Å; T242-M244 VanDerWaalsContact C-N 3.32Å
243	S	23.5	Very low	23.8	Very low	94 Å²	94	135.3 Å²	135.3	66%	0.657	74%	0.738	S	S	*	*			trans	-85.8	-3.5	170.2	54.1	0	0	0	0	113.3
244	M	24.4	Very low	23.8	Very low	97 Å²	97	130.4 Å²	130.4	48%	0.478	73%	0.728	S	S	.	*			trans	-110.1	85.3	-175.4	-61.6	179	-178	0	0	111.5	T242 P587 V629	T242-M244 VanDerWaalsContact C-N 3.32Å; M244-P587 HydrophobicContact CE-CG 4.19Å; M244-V629 HydrophobicContact CE-CB 4.47Å; M244-V629 HydrophobicContact CE-CG1 4.27Å; M244-V629 HydrophobicContact CE-CG2 4Å; M244-V629 HydrophobicContact SD-CB 4.35Å; M244-V629 HydrophobicContact SD-CG2 3.6Å; M244-V629 VanDerWaalsContact SD-CG2 3.6Å
245	I	23.4	Very low	23.9	Very low	146 Å²	146	129.6 Å²	129.6	75%	0.749	72%	0.722	S	S	*	*			trans	-175.2	108.1	141.3	-91.9	148.3	0	0	0	106
246	S	24.2	Very low	23.9	Very low	103 Å²	103	130.4 Å²	130.4	72%	0.72	72%	0.718	S	S	*	*			trans	-116.6	111.9	163	-86.4	0	0	0	0	107.3
247	R	25	Very low	24.1	Very low	176 Å²	176	128.6 Å²	128.6	66%	0.664	72%	0.715	S	S	*	*	S	Bend	trans	46.9	82	169.1	-69.8	-176.2	168.9	79.5	8.3	116.7	L319	R247-L319 PolarHBondContact NH1-O 3.49Å; R247-L319 PolarHBondContact NH2-O 3.32Å
248	S	23.9	Very low	24.3	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	72%	0.721	S	S	*	*				47.9	88	125.4	61.4	0	0	0	0	118	S250	S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.3Å; S248-S250 VanDerWaalsContact O-N 3.13Å
249	Y	22.8	Very low	24.5	Very low	215 Å²	215	134.4 Å²	134.4	84%	0.843	72%	0.721	S	S	*	*			trans	-68.9	93.3	138.7	-79.1	-84.7	0	0	0	108
250	S	22.8	Very low	24.6	Very low	95 Å²	95	133.6 Å²	133.6	66%	0.664	73%	0.728	S	S	*	*			trans	-96.4	103.3	164	-172.2	0	0	0	0	107.3	S248 N252	S248-S250 VanDerWaalsContact C-N 3.28Å; S248-S250 PolarHBondContact O-N 3.3Å; S248-S250 VanDerWaalsContact O-N 3.13Å; S250-N252 PolarHBondContact O-N 3.43Å; S250-N252 VanDerWaalsContact O-N 3.12Å
251	M	23.5	Very low	24.6	Very low	167 Å²	167	135.6 Å²	135.6	82%	0.823	73%	0.731	S	S	*	*			trans	-70.3	102.3	170.8	-81.4	-67.2	-172.3	0	0	108.4	S253	M251-S253 VanDerWaalsContact C-N 3.34Å; M251-S253 PolarHBondContact O-N 3.48Å
252	N	23.5	Very low	24.8	Very low	139 Å²	139	136.2 Å²	136.2	74%	0.743	73%	0.733	S	S	*	*			trans	-69.5	96.1	163.4	-91.9	-2.4	0	0	0	108.2	S250 I254	S250-N252 PolarHBondContact O-N 3.43Å; S250-N252 VanDerWaalsContact O-N 3.12Å; N252-I254 VanDerWaalsContact C-N 3.28Å; N252-I254 PolarHBondContact O-N 3.1Å
253	S	23	Very low	25	Very low	107 Å²	107	135.3 Å²	135.3	75%	0.748	73%	0.731	S	S	*	*			trans	-66.1	86.7	167.7	52.9	0	0	0	0	109.8	M251 S255	M251-S253 VanDerWaalsContact C-N 3.34Å; M251-S253 PolarHBondContact O-N 3.48Å; S253-S255 PolarHBondContact O-N 2.71Å
254	I	22.8	Very low	25.3	Very low	135 Å²	135	139.7 Å²	139.7	69%	0.692	74%	0.741	S	S	*	*			trans	-77.9	81.1	168.3	-58.8	177.4	0	0	0	107.6	N252 N256	N252-I254 VanDerWaalsContact C-N 3.28Å; N252-I254 PolarHBondContact O-N 3.1Å; I254-N256 PolarHBondContact O-N 3.17Å
255	S	26.9	Very low	25.6	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	75%	0.754	S	S	*	*			trans	-66.3	112.1	161.7	46	0	0	0	0	108.5	S253 D257	S253-S255 PolarHBondContact O-N 2.71Å; S255-D257 PolarHBondContact O-N 2.74Å; S255-D257 VanDerWaalsContact O-N 3.15Å
256	N	23.7	Very low	25.8	Very low	128 Å²	128	141 Å²	141	68%	0.684	76%	0.756	S	S	*	*			trans	-74.7	97.3	172.9	-78.7	-78.1	0	0	0	109.9	I254	I254-N256 PolarHBondContact O-N 3.17Å
257	D	28.2	Very low	26	Very low	159 Å²	159	143.5 Å²	143.5	85%	0.85	76%	0.761	S	S	*	*			trans	-92.9	94.4	153.6	-88	-51.4	0	0	0	109.3	S255	S255-D257 PolarHBondContact O-N 2.74Å; S255-D257 VanDerWaalsContact O-N 3.15Å
258	K	27.6	Very low	26.3	Very low	174 Å²	174	143.4 Å²	143.4	76%	0.757	77%	0.768	S	S	*	*			trans	-83	121	162.1	-68.3	176.3	-178.3	173.5	0	107.8
259	N	27.6	Very low	26.6	Very low	165 Å²	165	144.1 Å²	144.1	88%	0.882	77%	0.773	S	S	*	*			trans	-150.5	124.1	142.2	-99.2	-37.3	0	0	0	110.6
260	N	28.2	Very low	27.1	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	78%	0.776	S	S	*	*			trans	-84.3	141.6	169.5	-86.4	-30.8	0	0	0	109.3
261	N	23.1	Very low	27.3	Very low	142 Å²	142	143.3 Å²	143.3	76%	0.759	78%	0.777	S	S	*	*			trans	13.6	125.3	145.4	-53.3	-26	0	0	0	118.3
262	I	28.6	Very low	27.5	Very low	163 Å²	163	143.3 Å²	143.3	84%	0.836	78%	0.781	S	S	*	*				-163	121.1	123.8	-101.4	152.1	0	0	0	112
263	S	27.7	Very low	27.6	Very low	90 Å²	90	143.3 Å²	143.3	63%	0.629	78%	0.781	S	S	*	*			trans	46.7	130.8	152.2	74.4	0	0	0	0	125.5
264	H	29.9	Very low	28	Very low	186 Å²	186	146.1 Å²	146.1	86%	0.861	79%	0.787	S	S	*	*				91.6	153.6	129.8	-76.7	-36.4	0	0	0	124
265	A	31.6	Very low	28.3	Very low	92 Å²	92	144.5 Å²	144.5	76%	0.76	78%	0.784	S	S	*	*			trans	67.9	96.6	-176.7	0	0	0	0	0	116.2
266	K	28.2	Very low	28.3	Very low	180 Å²	180	146.9 Å²	146.9	78%	0.783	79%	0.789	S	S	*	*				79.8	107.1	59.4	-76.8	-168.7	170.5	-177.2	0	115.6
267	N	28.7	Very low	28.6	Very low	155 Å²	155	147.7 Å²	147.7	83%	0.829	79%	0.793	S	S	*	*				-176.5	107.5	129.6	-87.6	-16.5	0	0	0	106.3
268	Q	29.4	Very low	28.6	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	78%	0.782	S	S	*	*				78	81.5	59	-75	-156.3	-29.8	0	0	116.5
269	S	31.4	Very low	28.6	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	78%	0.782	S	S	*	*			trans	-172.9	143.4	139.7	51.6	0	0	0	0	108
270	Q	33.4	Very low	28.7	Very low	194 Å²	194	142 Å²	142	91%	0.907	78%	0.775	S	S	*	*			cis	-141.1	158.2	-13.6	-111.3	172.5	-10.7	0	0	107.9
271	S	25.9	Very low	28.6	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	77%	0.769	S	S	*	*			trans	-99.1	154.1	179.8	54.9	0	0	0	0	112.7
272	N	29.1	Very low	28.7	Very low	166 Å²	166	140.3 Å²	140.3	89%	0.888	77%	0.773	S	S	*	*			trans	-147.7	130.1	138.1	-108.8	-16.9	0	0	0	110.8
273	N	25.5	Very low	28.6	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	77%	0.766	S	S	*	*			trans	-99	157.2	172.1	-69.6	-27.4	0	0	0	109.1
274	N	30	Very low	28.5	Very low	167 Å²	167	139.2 Å²	139.2	89%	0.893	77%	0.77	S	S	*	*			trans	-151.9	161.1	136.2	-113.6	-18.1	0	0	0	110.6
275	T	29.6	Very low	28.3	Very low	101 Å²	101	137.3 Å²	137.3	62%	0.62	77%	0.766	S	S	*	*			trans	-133	155.3	-153.5	47.5	0	0	0	0	113.6
276	N	27.1	Very low	28	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	77%	0.77	S	S	*	*			trans	68.6	159.8	163.1	-51.9	-18.7	0	0	0	114.8
277	N	30.2	Very low	28	Very low	146 Å²	146	135.3 Å²	135.3	78%	0.781	77%	0.768	S	S	*	*			cis	-146.3	177.3	12.8	-142.8	0.9	0	0	0	113.6
278	T	27.1	Very low	27.9	Very low	100 Å²	100	135.9 Å²	135.9	61%	0.613	77%	0.772	S	S	*	*			trans	-83.8	149.9	-171.1	54.8	0	0	0	0	115.9
279	N	28.7	Very low	27.8	Very low	139 Å²	139	132.8 Å²	132.8	74%	0.743	77%	0.769	S	S	*	*				166.4	143.9	107.9	-85.7	-32.3	0	0	0	116.6
280	N	29.2	Very low	27.8	Very low	139 Å²	139	134.6 Å²	134.6	74%	0.743	77%	0.77	S	S	*	*			trans	51.2	106.4	148.9	-71.6	-2.2	0	0	0	124.5
281	S	26.9	Very low	27.6	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	77%	0.77	S	S	*	*				78.4	124.8	111.3	-55	0	0	0	0	123.1
282	N	25.3	Very low	27.5	Very low	160 Å²	160	140 Å²	140	86%	0.856	77%	0.774	S	S	*	*			trans	62.5	130.7	156.3	-58.4	-8.6	0	0	0	117.2
283	S	26	Very low	27.3	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	77%	0.77	S	S	*	*			cis	-157.1	175.4	13.8	-159.4	0	0	0	0	111.7
284	N	24.9	Very low	27.3	Very low	132 Å²	132	136.1 Å²	136.1	71%	0.706	77%	0.767	S	S	*	*			trans	58.8	94.7	160.7	-55.7	-1.1	0	0	0	117.5
285	N	26.7	Very low	27.2	Very low	147 Å²	147	136 Å²	136	79%	0.786	77%	0.765	S	S	*	*				174.7	151.3	105.4	-88.5	-35.5	0	0	0	113.9
286	N	25.6	Very low	27	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	77%	0.771	S	S	*	*			trans	47.4	117.9	154.2	-65	-20.3	0	0	0	121.1
287	G	26.2	Very low	26.9	Very low	73 Å²	73	139.8 Å²	139.8	75%	0.753	77%	0.771	S	S	*	*				115.6	91.5	124.2	0	0	0	0	0	117.7
288	N	26.9	Very low	26.6	Very low	168 Å²	168	139.1 Å²	139.1	90%	0.898	77%	0.767	S	S	*	*			trans	-155.1	91.2	140.3	-125.7	-23.2	0	0	0	111.6
289	S	28.9	Very low	26.5	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	77%	0.771	S	S	*	*			trans	-90.3	124.5	171.4	44.8	0	0	0	0	110.1	K291	S289-K291 PolarHBondContact O-N 3.33Å
290	N	30.3	Very low	26.3	Very low	151 Å²	151	140.6 Å²	140.6	81%	0.807	77%	0.771	S	S	*	*			trans	-63.3	119.5	176	-84	-45.3	0	0	0	110.5	Y292	N290-Y292 PolarHBondContact O-N 3.08Å
291	K	29.3	Very low	26.2	Very low	209 Å²	209	141.3 Å²	141.3	91%	0.909	78%	0.775	S	S	*	*			trans	-67.6	89.9	179.1	-87	-176.2	172.1	176.5	0	112.2	S289	S289-K291 PolarHBondContact O-N 3.33Å
292	Y	24.4	Very low	26.1	Very low	198 Å²	198	141.3 Å²	141.3	78%	0.776	77%	0.768	S	S	*	*			trans	-79.2	144.8	139.5	-70.1	-86.2	0	0	0	108.7	N290 S294	N290-Y292 PolarHBondContact O-N 3.08Å; Y292-S294 VanDerWaalsContact C-N 3.28Å; Y292-S294 PolarHBondContact O-N 3.22Å
293	P	25.4	Very low	26.4	Very low	126 Å²	126	140 Å²	140	82%	0.818	77%	0.768	S	S	*	*			trans	-74.2	83.5	173.7	30.9	-33.8	0	0	0	109.8	I295	P293-I295 PolarHBondContact O-N 3.3Å
294	S	24.1	Very low	26.7	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	77%	0.766	S	S	*	*			trans	-59.4	128.5	167.1	48	0	0	0	0	109.7	Y292 E296	Y292-S294 VanDerWaalsContact C-N 3.28Å; Y292-S294 PolarHBondContact O-N 3.22Å; S294-E296 PolarHBondContact O-N 3.37Å; S294-E296 VanDerWaalsContact O-N 3.11Å
295	I	27.3	Very low	27.6	Very low	166 Å²	166	140.6 Å²	140.6	85%	0.851	76%	0.763	S	S	*	*			trans	-68.6	108.8	174.9	-61.6	173	0	0	0	107.6	P293 H297	P293-I295 PolarHBondContact O-N 3.3Å; I295-H297 PolarHBondContact O-N 3Å
296	E	26	Very low	29.1	Very low	160 Å²	160	139.9 Å²	139.9	75%	0.748	76%	0.76	S	S	*	*			trans	-67.2	128.6	179.5	-68.5	-177.7	146.2	0	0	111	S294 N298	S294-E296 PolarHBondContact O-N 3.37Å; S294-E296 VanDerWaalsContact O-N 3.11Å; E296-N298 VanDerWaalsContact C-N 3.27Å; E296-N298 PolarHBondContact O-N 3.43Å
297	H	25.4	Very low	31.1	Very low	166 Å²	166	135.2 Å²	135.2	77%	0.769	75%	0.749	S	S	*	*			trans	-70.6	84.7	168.9	-106.6	-74.7	0	0	0	109.5	I295 N299	I295-H297 PolarHBondContact O-N 3Å; H297-N299 PolarHBondContact ND1-OD1 3.08Å; H297-N299 PolarHBondContact O-N 2.97Å
298	N	24	Very low	33.9	Very low	131 Å²	131	133 Å²	133	70%	0.701	72%	0.719	S	S	*	*			trans	-74.9	71.9	173.7	-125	-26.9	0	0	0	110.1	E296 N300	E296-N298 VanDerWaalsContact C-N 3.27Å; E296-N298 PolarHBondContact O-N 3.43Å; N298-N300 PolarHBondContact O-N 3.31Å
299	N	24.3	Very low	36.6	Very low	130 Å²	130	128.3 Å²	128.3	70%	0.695	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	64.8	179.5	-73.3	-12.7	0	0	0	111.2	H297	H297-N299 PolarHBondContact ND1-OD1 3.08Å; H297-N299 PolarHBondContact O-N 2.97Å
300	N	25.1	Very low	39.3	Very low	140 Å²	140	124.7 Å²	124.7	75%	0.749	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.4	1.9	168	-113.7	-39.1	0	0	0	115.4	N298 N302	N298-N300 PolarHBondContact O-N 3.31Å; N300-N302 PolarHBondContact O-N 3.22Å; N300-N302 VanDerWaalsContact O-N 3.08Å
301	D	26.2	Very low	42.3	Very low	154 Å²	154	117.5 Å²	117.5	82%	0.824	64%	0.644	S	S	*	*			trans	-71.4	103.8	168.8	-93.8	-30.4	0	0	0	110.7
302	N	25.4	Very low	45.4	Very low	96 Å²	96	110.5 Å²	110.5	51%	0.513	62%	0.621	S	S	.	*			trans	-56.2	127.5	164.1	-95.5	-112	0	0	0	109	N300 K304	N300-N302 PolarHBondContact O-N 3.22Å; N300-N302 VanDerWaalsContact O-N 3.08Å; N302-K304 HydrophobicContact CB-CB 4.42Å; N302-K304 HydrophobicContact CB-CD 4.03Å; N302-K304 HydrophobicContact CB-CG 4.18Å; N302-K304 PolarHBondContact O-N 2.91Å; N302-K304 WeakPolarHBondContact OD1-CD 3.35Å; N302-K304 VanDerWaalsContact OD1-CE 3.23Å; N302-K304 WeakPolarHBondContact OD1-CE 3.5Å; N302-K304 PolarHBondContact OD1-NZ 3.29Å
303	P	32.8	Very low	48.7	Very low	133 Å²	133	103 Å²	103	86%	0.864	59%	0.594	S	S	*	*			trans	-75	47.6	177.6	31.4	-36.2	0	0	0	112.5	S305	P303-S305 PolarHBondContact O-N 3.07Å
304	K	32.1	Very low	52	Low	150 Å²	150	100.9 Å²	100.9	65%	0.652	58%	0.575	S	S	*	*			trans	-96.2	93.4	-176.1	-74	173.4	179.1	154.7	0	109.6	N302	N302-K304 HydrophobicContact CB-CB 4.42Å; N302-K304 HydrophobicContact CB-CD 4.03Å; N302-K304 HydrophobicContact CB-CG 4.18Å; N302-K304 PolarHBondContact O-N 2.91Å; N302-K304 WeakPolarHBondContact OD1-CD 3.35Å; N302-K304 VanDerWaalsContact OD1-CE 3.23Å; N302-K304 WeakPolarHBondContact OD1-CE 3.5Å; N302-K304 PolarHBondContact OD1-NZ 3.29Å
305	S	43	Very low	55.3	Low	92 Å²	92	100.9 Å²	100.9	64%	0.643	57%	0.567	S	S	*	*	S	Bend	trans	71.9	47.5	167.3	55.3	0	0	0	0	119.2	P303	P303-S305 PolarHBondContact O-N 3.07Å
306	N	58.5	Low	58.5	Low	133 Å²	133	95.8 Å²	95.8	71%	0.711	54%	0.544	S	S	*	.			trans	-107.1	4.6	161.3	-97.8	9.7	0	0	0	114.4	I313	N306-I313 PolarHBondContact O-N 3.2Å
307	G	68.2	Low	61.7	Low	58 Å²	58	91.5 Å²	91.5	60%	0.598	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	144.3	174.1	0	0	0	0	0	112.7	Y311	G307-Y311 WeakPolarHBondContact CA-O 3.33Å
308	L	84.2	Confident	64.7	Low	25 Å²	25	84.7 Å²	84.7	13%	0.131	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	97.1	168.3	176.8	72.8	0	0	0	107.8	L310 Y311 I313 I339 I377 T379 N384 I386	L308-L310 PolarHBondContact O-N 2.84Å; L308-Y311 PolarHBondContact N-O 3.44Å; L308-Y311 WeakPolarHBondContact O-CB 3.46Å; L308-Y311 WeakPolarHBondContact O-CD2 3.49Å; L308-Y311 PolarHBondContact O-N 3.03Å; L308-I313 HydrophobicContact CB-CD1 3.95Å; L308-I313 HydrophobicContact CB-CG1 4.41Å; L308-I339 HydrophobicContact CD2-CD1 4.35Å; L308-I339 HydrophobicContact CD2-CG2 4.49Å; L308-I377 HydrophobicContact CD1-CG2 3.9Å; L308-I377 HydrophobicContact CD2-CB 4.38Å; L308-I377 HydrophobicContact CD2-CD1 4.17Å; L308-I377 HydrophobicContact CD2-CG2 4.37Å; L308-I377 HydrophobicContact CG-CD1 4.05Å; L308-I377 HydrophobicContact CG-CG2 4.11Å; L308-T379 HydrophobicContact CD1-CG2 3.92Å; L308-N384 HydrophobicContact CD2-CB 3.77Å; L308-I386 HydrophobicContact CD2-CD1 4.43Å
309	G	83.1	Confident	67.7	Low	71 Å²	71	83.3 Å²	83.3	73%	0.732	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-128	-172.1	0	0	0	0	0	111.3	Y311	G309-Y311 PolarHBondContact O-N 3.11Å
310	L	86.6	Confident	70.2	Confident	32 Å²	32	79.1 Å²	79.1	17%	0.168	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	14.8	177.5	-60.7	176.9	0	0	0	114.3	L308 H330 V331 L332 A840	L308-L310 PolarHBondContact O-N 2.84Å; L310-H330 WeakPolarHBondContact CB-NE2 3.45Å; L310-H330 PolarHBondContact O-CD2 3.07Å; L310-H330 VanDerWaalsContact O-CD2 3.25Å; L310-V331 WeakPolarHBondContact O-CB 3.43Å; L310-V331 WeakPolarHBondContact O-CG2 3.43Å; L310-V331 PolarHBondContact O-N 2.88Å; L310-L332 HydrophobicContact CD1-CD1 3.87Å; L310-L332 HydrophobicContact CD1-CG 4.4Å; L310-L332 HydrophobicContact CD2-CG 4.47Å; L310-A840 HydrophobicContact CD1-CB 4.21Å
311	Y	93.4	Very high	72.5	Confident	1 Å²	1	77.4 Å²	77.4	0%	0.004	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.4	-175.1	-57.8	-86.3	0	0	0	112.5	G307 L308 G309 H330 V337 E375 I377 I386 I847	G307-Y311 WeakPolarHBondContact CA-O 3.33Å; L308-Y311 PolarHBondContact N-O 3.44Å; L308-Y311 WeakPolarHBondContact O-CB 3.46Å; L308-Y311 WeakPolarHBondContact O-CD2 3.49Å; L308-Y311 PolarHBondContact O-N 3.03Å; G309-Y311 PolarHBondContact O-N 3.11Å; Y311-H330 HydrophobicContact CD1-CB 3.87Å; Y311-H330 AromaticContact CD1-CD2 3.88Å; Y311-H330 HydrophobicContact CE1-CB 3.68Å; Y311-H330 AromaticContact CE1-CD2 3.42Å; Y311-H330 VanDerWaalsContact CE1-CD2 3.42Å; Y311-H330 WeakPolarHBondContact CE1-CD2 3.45Å; Y311-H330 AromaticContact CE1-CG 3.78Å; Y311-H330 AromaticContact CZ-CD2 3.58Å; Y311-V337 HydrophobicContact CD1-CG2 3.63Å; Y311-V337 HydrophobicContact CE1-CG1 4.27Å; Y311-V337 HydrophobicContact CE1-CG2 3.91Å; Y311-E375 VanDerWaalsContact CE2-OE2 3.22Å; Y311-E375 WeakPolarHBondContact CE2-OE2 3.24Å; Y311-E375 PolarHBondContact OH-OE2 2.85Å; Y311-I377 HydrophobicContact CD2-CD1 3.7Å; Y311-I377 HydrophobicContact CE2-CD1 3.73Å; Y311-I386 HydrophobicContact CD1-CG2 4.22Å; Y311-I386 HydrophobicContact CD2-CD1 4.31Å; Y311-I386 HydrophobicContact CE1-CG2 3.57Å; Y311-I386 HydrophobicContact CE2-CD1 4.37Å; Y311-I386 HydrophobicContact CE2-CG1 4.12Å; Y311-I386 HydrophobicContact CE2-CG2 4.44Å; Y311-I847 HydrophobicContact CE1-CD1 4.01Å; Y311-I847 WeakPolarHBondContact OH-CD1 3.23Å
312	C	94.5	Very high	74.8	Confident	61 Å²	61	76.4 Å²	76.4	41%	0.412	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.3	170.3	-177	0	0	0	0	109.1	A328 T329 V331	C312-A328 CarbonylContact O-C 3.57Å; C312-A328 WeakPolarHBondContact O-CA 3.41Å; C312-A328 VanDerWaalsContact O-CB 3.26Å; C312-A328 WeakPolarHBondContact O-CB 3.19Å; C312-T329 PolarHBondContact N-O 3.31Å; C312-T329 PolarHBondContact O-N 2.91Å; C312-V331 HydrophobicContact CB-CG2 4.36Å
313	I	94	Very high	77.7	Confident	41 Å²	41	73.2 Å²	73.2	21%	0.21	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.4	-177.1	-59	-179	0	0	0	110.3	N306 L308 K326 I339	N306-I313 PolarHBondContact O-N 3.2Å; L308-I313 HydrophobicContact CB-CD1 3.95Å; L308-I313 HydrophobicContact CB-CG1 4.41Å; I313-K326 HydrophobicContact CG2-CB 4.21Å; I313-K326 HydrophobicContact CG2-CD 3.78Å; I313-I339 HydrophobicContact CG1-CD1 4.34Å
314	L	93.4	Very high	80.6	Confident	82 Å²	82	69.7 Å²	69.7	43%	0.429	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-140.3	177.5	-56.3	179.1	0	0	0	110.1	L327	L314-L327 WeakPolarHBondContact CA-O 3.25Å; L314-L327 HydrophobicContact CB-CB 4.35Å; L314-L327 HydrophobicContact CB-CG 4.34Å; L314-L327 WeakPolarHBondContact CB-O 3.45Å; L314-L327 HydrophobicContact CD1-CD2 4.09Å; L314-L327 HydrophobicContact CD1-CG 4.14Å; L314-L327 PolarHBondContact N-O 3.25Å
315	N	93.8	Very high	83.6	Confident	96 Å²	96	64.5 Å²	64.5	51%	0.513	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	161.8	-175.6	64.4	-44.6	0	0	0	113.9	L327	N315-L327 PolarHBondContact O-N 2.81Å
316	T	94.9	Very high	86.1	Confident	60 Å²	60	62.5 Å²	62.5	37%	0.368	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.7	169.3	-59.9	0	0	0	0	110.1	G318 L319 Q324	T316-G318 WeakPolarHBondContact CG2-O 3.46Å; T316-L319 HydrophobicContact CG2-CD2 4.11Å; T316-L319 HydrophobicContact CG2-CG 4.03Å; T316-Q324 HydrophobicContact CG2-CG 3.8Å; T316-Q324 PolarHBondContact OG1-NE2 3.09Å
317	I	93.4	Very high	87.9	Confident	70 Å²	70	56.7 Å²	56.7	36%	0.359	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-18.1	178.2	60.2	174.2	0	0	0	113.2	V325 L327 A338 Y389	I317-V325 HydrophobicContact CD1-CG1 3.93Å; I317-V325 HydrophobicContact CG1-CB 4.14Å; I317-V325 HydrophobicContact CG1-CG1 3.79Å; I317-V325 WeakPolarHBondContact CG1-O 3.49Å; I317-V325 PolarHBondContact N-O 2.91Å; I317-L327 HydrophobicContact CG2-CB 3.9Å; I317-A338 HydrophobicContact CD1-CB 4.22Å; I317-Y389 HydrophobicContact CD1-CD2 3.94Å; I317-Y389 HydrophobicContact CD1-CE2 3.86Å
318	G	88.2	Confident	89.3	Confident	23 Å²	23	54 Å²	54	24%	0.237	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.9	176.9	0	0	0	0	0	113.1	T316 V325	T316-G318 WeakPolarHBondContact CG2-O 3.46Å; G318-V325 PolarHBondContact N-O 3.35Å; G318-V325 PolarHBondContact O-N 3.04Å
319	L	86.2	Confident	89.9	Confident	101 Å²	101	54.4 Å²	54.4	53%	0.529	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.4	176.2	-71.9	167.9	0	0	0	109	R247 T316 Q324	R247-L319 PolarHBondContact NH1-O 3.49Å; R247-L319 PolarHBondContact NH2-O 3.32Å; T316-L319 HydrophobicContact CG2-CD2 4.11Å; T316-L319 HydrophobicContact CG2-CG 4.03Å; L319-Q324 HydrophobicContact CD2-CB 4.25Å; L319-Q324 HydrophobicContact CD2-CG 3.83Å
320	G	76.8	Confident	90.3	Very high	43 Å²	43	51 Å²	51	44%	0.443	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	176.3	169.7	0	0	0	0	0	111.1	F322 S323	G320-F322 VanDerWaalsContact C-N 3.31Å; G320-F322 PolarHBondContact O-N 2.84Å; G320-S323 CarbonylContact C-O 3.45Å; G320-S323 PolarHBondContact N-O 3.05Å; G320-S323 PolarHBondContact O-N 3.18Å
321	N	73.6	Confident	90.4	Very high	103 Å²	103	52.2 Å²	52.2	55%	0.551	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.7	-164	-61.5	9	0	0	0	114.6
322	F	74.6	Confident	90	Very high	133 Å²	133	53.3 Å²	53.3	58%	0.583	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	2.5	-177.1	-52.5	-71.9	0	0	0	113.6	G320	G320-F322 VanDerWaalsContact C-N 3.31Å; G320-F322 PolarHBondContact O-N 2.84Å
323	S	87	Confident	89.7	Confident	30 Å²	30	50.9 Å²	50.9	21%	0.21	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.7	-179	67.5	0	0	0	0	113.7	G320 V341	G320-S323 CarbonylContact C-O 3.45Å; G320-S323 PolarHBondContact N-O 3.05Å; G320-S323 PolarHBondContact O-N 3.18Å; S323-V341 CarbonylContact C-O 3.58Å; S323-V341 WeakPolarHBondContact CA-O 3.43Å; S323-V341 VanDerWaalsContact CB-O 3.31Å; S323-V341 WeakPolarHBondContact CB-O 3.24Å
324	Q	92.6	Very high	89.5	Confident	59 Å²	59	56 Å²	56	28%	0.276	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.8	176.7	177.6	177.8	31.3	0	0	108.6	T316 L319 K326 V341	T316-Q324 HydrophobicContact CG2-CG 3.8Å; T316-Q324 PolarHBondContact OG1-NE2 3.09Å; L319-Q324 HydrophobicContact CD2-CB 4.25Å; L319-Q324 HydrophobicContact CD2-CG 3.83Å; Q324-K326 HydrophobicContact CG-CG 4.15Å; Q324-V341 PolarHBondContact N-O 3.4Å; Q324-V341 WeakPolarHBondContact O-CB 3.42Å; Q324-V341 PolarHBondContact O-N 3.2Å
325	V	94.9	Very high	89.4	Confident	40 Å²	40	54.2 Å²	54.2	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.5	175.8	-167.9	0	0	0	0	109.2	I317 G318 A338 I339 K340	I317-V325 HydrophobicContact CD1-CG1 3.93Å; I317-V325 HydrophobicContact CG1-CB 4.14Å; I317-V325 HydrophobicContact CG1-CG1 3.79Å; I317-V325 WeakPolarHBondContact CG1-O 3.49Å; I317-V325 PolarHBondContact N-O 2.91Å; G318-V325 PolarHBondContact N-O 3.35Å; G318-V325 PolarHBondContact O-N 3.04Å; V325-A338 HydrophobicContact CG1-CB 4.06Å; V325-I339 CarbonylContact C-O 3.58Å; V325-I339 VanDerWaalsContact CA-O 3.31Å; V325-I339 WeakPolarHBondContact CA-O 3.21Å; V325-K340 HydrophobicContact CG2-CB 4.43Å
326	K	96.7	Very high	89.5	Confident	51 Å²	51	56.6 Å²	56.6	22%	0.222	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.3	178.3	-58.5	-177.5	-176.1	175.7	0	110.5	I313 Q324 A338 I339 V341	I313-K326 HydrophobicContact CG2-CB 4.21Å; I313-K326 HydrophobicContact CG2-CD 3.78Å; Q324-K326 HydrophobicContact CG-CG 4.15Å; K326-A338 CarbonylContact O-C 3.35Å; K326-A338 WeakPolarHBondContact O-CA 3.24Å; K326-I339 PolarHBondContact N-O 3.14Å; K326-I339 PolarHBondContact O-N 2.91Å; K326-V341 HydrophobicContact CD-CG2 4.37Å
327	L	96.7	Very high	89.6	Confident	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.1	163.7	179.9	64.4	0	0	0	108.6	L314 N315 I317 R336 Y389	L314-L327 WeakPolarHBondContact CA-O 3.25Å; L314-L327 HydrophobicContact CB-CB 4.35Å; L314-L327 HydrophobicContact CB-CG 4.34Å; L314-L327 WeakPolarHBondContact CB-O 3.45Å; L314-L327 HydrophobicContact CD1-CD2 4.09Å; L314-L327 HydrophobicContact CD1-CG 4.14Å; L314-L327 PolarHBondContact N-O 3.25Å; N315-L327 PolarHBondContact O-N 2.81Å; I317-L327 HydrophobicContact CG2-CB 3.9Å; L327-R336 HydrophobicContact CD1-CB 4.15Å; L327-R336 HydrophobicContact CD1-CG 4.45Å; L327-Y389 HydrophobicContact CD1-CD1 3.86Å; L327-Y389 HydrophobicContact CD1-CD2 3.62Å; L327-Y389 HydrophobicContact CD1-CE1 4.03Å; L327-Y389 HydrophobicContact CD1-CE2 3.84Å; L327-Y389 HydrophobicContact CD1-CG 3.64Å
328	A	97	Very high	89.8	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	166.9	170.7	0	0	0	0	0	110.8	C312 R336 V337 I339	C312-A328 CarbonylContact O-C 3.57Å; C312-A328 WeakPolarHBondContact O-CA 3.41Å; C312-A328 VanDerWaalsContact O-CB 3.26Å; C312-A328 WeakPolarHBondContact O-CB 3.19Å; A328-R336 WeakPolarHBondContact O-CA 3.26Å; A328-V337 HydrophobicContact CB-CG2 3.88Å; A328-V337 PolarHBondContact N-O 2.95Å; A328-V337 PolarHBondContact O-N 3.36Å; A328-I339 HydrophobicContact CB-CD1 3.51Å; A328-I339 HydrophobicContact CB-CG1 3.96Å
329	T	95.8	Very high	90.1	Very high	35 Å²	35	49.9 Å²	49.9	22%	0.215	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.6	171.2	-59.8	0	0	0	0	109.4	C312 E335	C312-T329 PolarHBondContact N-O 3.31Å; C312-T329 PolarHBondContact O-N 2.91Å; T329-E335 CarbonylContact C-O 3.43Å; T329-E335 WeakPolarHBondContact CA-O 3.39Å
330	H	92.6	Very high	90.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	125.2	172.7	-177.3	-123.1	0	0	0	110.1	L310 Y311 L332 T333 K334 E335 I847	L310-H330 WeakPolarHBondContact CB-NE2 3.45Å; L310-H330 PolarHBondContact O-CD2 3.07Å; L310-H330 VanDerWaalsContact O-CD2 3.25Å; Y311-H330 HydrophobicContact CD1-CB 3.87Å; Y311-H330 AromaticContact CD1-CD2 3.88Å; Y311-H330 HydrophobicContact CE1-CB 3.68Å; Y311-H330 AromaticContact CE1-CD2 3.42Å; Y311-H330 VanDerWaalsContact CE1-CD2 3.42Å; Y311-H330 WeakPolarHBondContact CE1-CD2 3.45Å; Y311-H330 AromaticContact CE1-CG 3.78Å; Y311-H330 AromaticContact CZ-CD2 3.58Å; H330-L332 PolarHBondContact O-N 2.9Å; H330-T333 WeakPolarHBondContact ND1-CG2 3.42Å; H330-T333 PolarHBondContact ND1-OG1 2.9Å; H330-K334 VanDerWaalsContact O-CA 3.24Å; H330-K334 WeakPolarHBondContact O-CA 3.39Å; H330-K334 PolarHBondContact O-N 3.01Å; H330-E335 PolarHBondContact N-O 3Å; H330-I847 HydrophobicContact CB-CD1 4.18Å
331	V	88.9	Confident	91.3	Very high	57 Å²	57	44.4 Å²	44.4	35%	0.345	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-36.6	-165.2	171.7	0	0	0	0	112.5	L310 C312 K334	L310-V331 WeakPolarHBondContact O-CB 3.43Å; L310-V331 WeakPolarHBondContact O-CG2 3.43Å; L310-V331 PolarHBondContact O-N 2.88Å; C312-V331 HydrophobicContact CB-CG2 4.36Å; V331-K334 WeakPolarHBondContact O-CD 3.42Å; V331-K334 WeakPolarHBondContact O-CE 3.45Å; V331-K334 PolarHBondContact O-NZ 3.03Å
332	L	84.7	Confident	92.1	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.126	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-57.7	179.1	-56.3	179.1	0	0	0	111.2	L310 H330 K334 I824 L949 I953	L310-L332 HydrophobicContact CD1-CD1 3.87Å; L310-L332 HydrophobicContact CD1-CG 4.4Å; L310-L332 HydrophobicContact CD2-CG 4.47Å; H330-L332 PolarHBondContact O-N 2.9Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.09Å; L332-I824 HydrophobicContact CD1-CD1 4.09Å; L332-L949 HydrophobicContact CD1-CD2 4.02Å; L332-I953 HydrophobicContact CD2-CD1 3.88Å
333	T	86.9	Confident	92.8	Very high	9 Å²	9	35.6 Å²	35.6	6%	0.055	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.1	-170.1	63.8	0	0	0	0	114.7	H330 E335 L822 I847 M848	H330-T333 WeakPolarHBondContact ND1-CG2 3.42Å; H330-T333 PolarHBondContact ND1-OG1 2.9Å; T333-E335 PolarHBondContact O-N 3.44Å; T333-E335 VanDerWaalsContact O-N 3.11Å; T333-E335 PolarHBondContact OG1-N 3.12Å; T333-L822 HydrophobicContact CG2-CD1 3.94Å; T333-I847 HydrophobicContact CG2-CG2 4.2Å; T333-I847 WeakPolarHBondContact OG1-CG2 3.15Å; T333-M848 VanDerWaalsContact CB-CE 3.49Å; T333-M848 HydrophobicContact CG2-CE 3.52Å; T333-M848 HydrophobicContact CG2-CG 3.74Å; T333-M848 HydrophobicContact CG2-SD 3.72Å
334	K	90.8	Very high	92.8	Very high	149 Å²	149	35.5 Å²	35.5	65%	0.648	17%	0.17	S	C	*	.			trans	58.1	11.3	-171.6	-44	-55.8	178.5	-170.1	0	115	H330 V331 L332	H330-K334 VanDerWaalsContact O-CA 3.24Å; H330-K334 WeakPolarHBondContact O-CA 3.39Å; H330-K334 PolarHBondContact O-N 3.01Å; V331-K334 WeakPolarHBondContact O-CD 3.42Å; V331-K334 WeakPolarHBondContact O-CE 3.45Å; V331-K334 PolarHBondContact O-NZ 3.03Å; L332-K334 VanDerWaalsContact C-N 3.35Å; L332-K334 PolarHBondContact O-N 3.09Å
335	E	91.4	Very high	92.4	Very high	44 Å²	44	37.4 Å²	37.4	21%	0.206	19%	0.19	C	C	.	.			trans	-72.9	146.4	178.4	-74.2	-56.4	134.2	0	0	112.4	T329 H330 T333 I847 M848 K851	T329-E335 CarbonylContact C-O 3.43Å; T329-E335 WeakPolarHBondContact CA-O 3.39Å; H330-E335 PolarHBondContact N-O 3Å; T333-E335 PolarHBondContact O-N 3.44Å; T333-E335 VanDerWaalsContact O-N 3.11Å; T333-E335 PolarHBondContact OG1-N 3.12Å; E335-I847 HydrophobicContact CB-CG2 3.67Å; E335-I847 HydrophobicContact CG-CG2 3.68Å; E335-M848 HydrophobicContact CG-CE 4.38Å; E335-K851 HydrophobicContact CG-CD 4.31Å; E335-K851 VanDerWaalsContact OE1-CD 3.24Å; E335-K851 WeakPolarHBondContact OE1-CD 3.38Å; E335-K851 WeakPolarHBondContact OE1-CE 3.39Å; E335-K851 IonicContact OE1-NZ 2.68Å; E335-K851 PolarHBondContact OE1-NZ 3.17Å
336	R	95.6	Very high	91.6	Very high	147 Å²	147	41.4 Å²	41.4	56%	0.555	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.6	172.5	-72	-176.6	-179.2	-177.3	1.8	110.4	L327 A328 Y389	L327-R336 HydrophobicContact CD1-CB 4.15Å; L327-R336 HydrophobicContact CD1-CG 4.45Å; A328-R336 WeakPolarHBondContact O-CA 3.26Å; R336-Y389 HydrophobicContact CB-CD1 3.82Å; R336-Y389 HydrophobicContact CB-CG 4.3Å; R336-Y389 WeakPolarHBondContact O-CB 3.45Å
337	V	96.5	Very high	90.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	153.2	179.4	-56.1	0	0	0	0	110.6	Y311 A328 I339 Y374 I386 M387 I847	Y311-V337 HydrophobicContact CD1-CG2 3.63Å; Y311-V337 HydrophobicContact CE1-CG1 4.27Å; Y311-V337 HydrophobicContact CE1-CG2 3.91Å; A328-V337 HydrophobicContact CB-CG2 3.88Å; A328-V337 PolarHBondContact N-O 2.95Å; A328-V337 PolarHBondContact O-N 3.36Å; V337-I339 HydrophobicContact CG2-CG1 4.27Å; V337-Y374 HydrophobicContact CG1-CD2 4.03Å; V337-Y374 HydrophobicContact CG1-CE2 3.95Å; V337-I386 HydrophobicContact CB-CG2 3.92Å; V337-I386 HydrophobicContact CG1-CG2 4.21Å; V337-I386 HydrophobicContact CG2-CG2 3.82Å; V337-M387 CarbonylContact C-O 3.53Å; V337-M387 WeakPolarHBondContact CA-O 3.49Å; V337-M387 WeakPolarHBondContact CB-O 3.35Å; V337-I847 HydrophobicContact CG1-CD1 4.19Å
338	A	97.3	Very high	89.9	Confident	10 Å²	10	44.1 Å²	44.1	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.3	168.8	0	0	0	0	0	109.1	I317 V325 K326 M387	I317-A338 HydrophobicContact CD1-CB 4.22Å; V325-A338 HydrophobicContact CG1-CB 4.06Å; K326-A338 CarbonylContact O-C 3.35Å; K326-A338 WeakPolarHBondContact O-CA 3.24Å; A338-M387 HydrophobicContact CB-CB 4.49Å; A338-M387 PolarHBondContact N-O 3.06Å; A338-M387 PolarHBondContact O-N 2.69Å
339	I	96.2	Very high	89.1	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	106.7	177.8	-54.8	-173.3	0	0	0	108.3	L308 I313 V325 K326 A328 V337 V341 N384 L385 I386	L308-I339 HydrophobicContact CD2-CD1 4.35Å; L308-I339 HydrophobicContact CD2-CG2 4.49Å; I313-I339 HydrophobicContact CG1-CD1 4.34Å; V325-I339 CarbonylContact C-O 3.58Å; V325-I339 VanDerWaalsContact CA-O 3.31Å; V325-I339 WeakPolarHBondContact CA-O 3.21Å; K326-I339 PolarHBondContact N-O 3.14Å; K326-I339 PolarHBondContact O-N 2.91Å; A328-I339 HydrophobicContact CB-CD1 3.51Å; A328-I339 HydrophobicContact CB-CG1 3.96Å; V337-I339 HydrophobicContact CG2-CG1 4.27Å; I339-V341 HydrophobicContact CG2-CG2 3.69Å; I339-V341 PolarHBondContact O-N 3.1Å; I339-N384 HydrophobicContact CG2-CB 3.88Å; I339-L385 WeakPolarHBondContact CA-O 3.22Å; I339-I386 HydrophobicContact CB-CD1 4.36Å; I339-I386 HydrophobicContact CD1-CD1 3.76Å; I339-I386 HydrophobicContact CG1-CD1 3.71Å; I339-I386 HydrophobicContact CG2-CD1 3.95Å
340	K	94.1	Very high	88.2	Confident	15 Å²	15	49.5 Å²	49.5	7%	0.065	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	100	170.2	-179.6	176.4	172.3	-178.2	0	107.6	V325 L342 E358 L385 M387 D566	V325-K340 HydrophobicContact CG2-CB 4.43Å; K340-L342 HydrophobicContact CG-CD1 4.26Å; K340-E358 IonicContact NZ-OE1 2.94Å; K340-E358 PolarHBondContact NZ-OE1 3.03Å; K340-E358 IonicContact NZ-OE2 2.67Å; K340-E358 PolarHBondContact NZ-OE2 3.29Å; K340-L385 HydrophobicContact CB-CB 4.25Å; K340-L385 PolarHBondContact N-O 2.78Å; K340-L385 PolarHBondContact O-N 2.91Å; K340-M387 HydrophobicContact CB-SD 3.93Å; K340-M387 HydrophobicContact CD-SD 4.4Å; K340-D566 IonicContact NZ-OD1 2.71Å; K340-D566 PolarHBondContact NZ-OD1 2.88Å
341	V	93.7	Very high	87.5	Confident	14 Å²	14	51.4 Å²	51.4	9%	0.085	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.1	-179.4	-177.7	0	0	0	0	109.2	S323 Q324 K326 I339 H382	S323-V341 CarbonylContact C-O 3.58Å; S323-V341 WeakPolarHBondContact CA-O 3.43Å; S323-V341 VanDerWaalsContact CB-O 3.31Å; S323-V341 WeakPolarHBondContact CB-O 3.24Å; Q324-V341 PolarHBondContact N-O 3.4Å; Q324-V341 WeakPolarHBondContact O-CB 3.42Å; Q324-V341 PolarHBondContact O-N 3.2Å; K326-V341 HydrophobicContact CD-CG2 4.37Å; I339-V341 HydrophobicContact CG2-CG2 3.69Å; I339-V341 PolarHBondContact O-N 3.1Å; V341-H382 HydrophobicContact CG1-CB 4.29Å
342	L	90.8	Very high	87.1	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	133.8	174.8	-55	100.5	0	0	0	110.2	K340 M347 L355 H382 L383 L385	K340-L342 HydrophobicContact CG-CD1 4.26Å; L342-M347 HydrophobicContact CB-SD 4.4Å; L342-L355 HydrophobicContact CD1-CD1 4.05Å; L342-L355 HydrophobicContact CD1-CD2 4.43Å; L342-L355 HydrophobicContact CD2-CD1 3.81Å; L342-L355 HydrophobicContact CD2-CD2 3.97Å; L342-H382 CarbonylContact O-C 3.5Å; L342-H382 WeakPolarHBondContact O-CA 3.14Å; L342-H382 WeakPolarHBondContact O-CB 3.35Å; L342-L383 PolarHBondContact N-O 3.21Å; L342-L383 PolarHBondContact O-N 3.43Å; L342-L385 HydrophobicContact CD1-CD1 3.82Å
343	D	88.4	Confident	86.9	Confident	37 Å²	37	62.8 Å²	62.8	20%	0.198	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	115.4	-179.6	176.6	-12.3	0	0	0	110.6	S345 K346 M347	D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 PolarHBondContact O-N 2.95Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 2.63Å; D343-S345 PolarHBondContact OD1-OG 3.2Å; D343-S345 PolarHBondContact OD2-OG 3.3Å; D343-K346 HydrophobicContact CB-CD 4.39Å; D343-K346 HydrophobicContact CB-CG 4.35Å; D343-K346 PolarHBondContact O-N 3.28Å; D343-K346 VanDerWaalsContact O-N 3.16Å; D343-K346 IonicContact OD2-NZ 3.38Å; D343-K346 PolarHBondContact OD2-NZ 2.79Å; D343-M347 WeakPolarHBondContact O-CG 3.22Å
344	K	86.9	Confident	86.4	Confident	27 Å²	27	66 Å²	66	12%	0.117	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-63.2	-27.4	-176.1	-72.3	179.6	160.7	-171.8	0	113.6	K346 M347 E378 T379 F380 S381	K344-K346 PolarHBondContact O-N 3.26Å; K344-M347 HydrophobicContact CB-CE 4.34Å; K344-M347 HydrophobicContact CG-CE 3.97Å; K344-M347 PolarHBondContact O-N 3.05Å; K344-E378 WeakPolarHBondContact CE-OE1 3.36Å; K344-E378 IonicContact NZ-OE1 3.3Å; K344-E378 PolarHBondContact NZ-OE1 2.89Å; K344-T379 VanDerWaalsContact CE-O 3.26Å; K344-T379 WeakPolarHBondContact CE-O 3.14Å; K344-T379 PolarHBondContact NZ-O 3.05Å; K344-F380 WeakPolarHBondContact CD-O 3.46Å; K344-S381 VanDerWaalsContact CB-O 3.32Å; K344-S381 WeakPolarHBondContact CB-O 3.45Å; K344-S381 PolarHBondContact N-O 2.83Å
345	S	83.8	Confident	86.1	Confident	99 Å²	99	59.4 Å²	59.4	69%	0.692	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.8	-24.6	179.7	70.2	0	0	0	0	112.5	D343	D343-S345 VanDerWaalsContact CG-OG 3.26Å; D343-S345 PolarHBondContact O-N 2.95Å; D343-S345 WeakPolarHBondContact OD1-CB 3.43Å; D343-S345 PolarHBondContact OD1-N 2.63Å; D343-S345 PolarHBondContact OD1-OG 3.2Å; D343-S345 PolarHBondContact OD2-OG 3.3Å
346	K	79.8	Confident	85.8	Confident	124 Å²	124	61.1 Å²	61.1	54%	0.539	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-92	0.5	180	-59.6	-173	175.6	90.9	0	113.4	D343 K344	D343-K346 HydrophobicContact CB-CD 4.39Å; D343-K346 HydrophobicContact CB-CG 4.35Å; D343-K346 PolarHBondContact O-N 3.28Å; D343-K346 VanDerWaalsContact O-N 3.16Å; D343-K346 IonicContact OD2-NZ 3.38Å; D343-K346 PolarHBondContact OD2-NZ 2.79Å; K344-K346 PolarHBondContact O-N 3.26Å
347	M	75.8	Confident	85.3	Confident	28 Å²	28	56.8 Å²	56.8	14%	0.138	29%	0.294	C	S	.	.			trans	-98.5	103.4	-176.2	-52.2	-167.5	-43.1	0	0	111.8	L342 D343 K344 T351 R352 L355	L342-M347 HydrophobicContact CB-SD 4.4Å; D343-M347 WeakPolarHBondContact O-CG 3.22Å; K344-M347 HydrophobicContact CB-CE 4.34Å; K344-M347 HydrophobicContact CG-CE 3.97Å; K344-M347 PolarHBondContact O-N 3.05Å; M347-T351 HydrophobicContact CB-CG2 4.04Å; M347-T351 HydrophobicContact CG-CG2 4.03Å; M347-R352 HydrophobicContact CB-CG 4.11Å; M347-R352 HydrophobicContact CE-CG 3.89Å; M347-L355 HydrophobicContact CE-CD2 4.07Å; M347-L355 HydrophobicContact SD-CD2 3.38Å; M347-L355 WeakPolarHBondContact SD-CD2 3.26Å
348	N	81.9	Confident	85	Confident	92 Å²	92	57.2 Å²	57.2	49%	0.492	30%	0.296	S	S	.	.			trans	-69.7	174.6	165.8	69.2	19.8	0	0	0	111.4	S350 T351 R352	N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 3.42Å; N348-S350 PolarHBondContact OD1-N 2.93Å; N348-S350 PolarHBondContact OD1-OG 2.59Å; N348-T351 PolarHBondContact O-N 3.22Å; N348-T351 WeakPolarHBondContact OD1-CB 3.45Å; N348-T351 PolarHBondContact OD1-N 3.26Å; N348-T351 PolarHBondContact OD1-OG1 3.36Å; N348-T351 VanDerWaalsContact OD1-OG1 3.07Å; N348-R352 PolarHBondContact O-N 2.94Å
349	T	80.2	Confident	84.6	Confident	102 Å²	102	57.7 Å²	57.7	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-31.2	-175.7	-46.1	0	0	0	0	113.6	R353	T349-R353 WeakPolarHBondContact O-CG 3.31Å; T349-R353 PolarHBondContact O-N 3.38Å
350	S	76.9	Confident	84.4	Confident	45 Å²	45	61.2 Å²	61.2	32%	0.315	32%	0.321	S	S	.	.	H	α-helix	trans	-75.8	-42.9	175.7	44	0	0	0	0	112.1	N348 R352 R353 L354	N348-S350 VanDerWaalsContact C-N 3.28Å; N348-S350 PolarHBondContact O-N 3.42Å; N348-S350 PolarHBondContact OD1-N 2.93Å; N348-S350 PolarHBondContact OD1-OG 2.59Å; S350-R352 VanDerWaalsContact C-N 3.3Å; S350-R352 PolarHBondContact O-N 2.93Å; S350-R353 PolarHBondContact O-N 2.95Å; S350-R353 VanDerWaalsContact O-N 3.13Å; S350-L354 WeakPolarHBondContact O-CG 3.12Å; S350-L354 PolarHBondContact O-N 3.44Å
351	T	77.1	Confident	84.3	Confident	40 Å²	40	60.8 Å²	60.8	25%	0.245	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-41.6	171.2	-60.6	0	0	0	0	111.5	M347 N348 R353 L354 L355	M347-T351 HydrophobicContact CB-CG2 4.04Å; M347-T351 HydrophobicContact CG-CG2 4.03Å; N348-T351 PolarHBondContact O-N 3.22Å; N348-T351 WeakPolarHBondContact OD1-CB 3.45Å; N348-T351 PolarHBondContact OD1-N 3.26Å; N348-T351 PolarHBondContact OD1-OG1 3.36Å; N348-T351 VanDerWaalsContact OD1-OG1 3.07Å; T351-R353 PolarHBondContact O-N 2.98Å; T351-L354 PolarHBondContact O-N 3.36Å; T351-L355 VanDerWaalsContact O-CB 3.3Å; T351-L355 WeakPolarHBondContact O-CB 3.35Å; T351-L355 PolarHBondContact O-N 3.49Å
352	R	80.5	Confident	84.2	Confident	130 Å²	130	60.3 Å²	60.3	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-58.4	-43.9	173.3	-83.9	-178.7	173.4	-124.4	4	112.7	M347 N348 S350 L355 S356	M347-R352 HydrophobicContact CB-CG 4.11Å; M347-R352 HydrophobicContact CE-CG 3.89Å; N348-R352 PolarHBondContact O-N 2.94Å; S350-R352 VanDerWaalsContact C-N 3.3Å; S350-R352 PolarHBondContact O-N 2.93Å; R352-L355 PolarHBondContact O-N 3.19Å; R352-S356 PolarHBondContact O-N 3.21Å; R352-S356 PolarHBondContact O-OG 3Å
353	R	79.8	Confident	84.1	Confident	191 Å²	191	61.8 Å²	61.8	72%	0.721	32%	0.323	S	S	*	.	H	α-helix	trans	-65.2	-43.9	177.5	-74.3	175.2	177.3	175.9	-0.4	112.2	T349 S350 T351 L355 S356 Q357	T349-R353 WeakPolarHBondContact O-CG 3.31Å; T349-R353 PolarHBondContact O-N 3.38Å; S350-R353 PolarHBondContact O-N 2.95Å; S350-R353 VanDerWaalsContact O-N 3.13Å; T351-R353 PolarHBondContact O-N 2.98Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.31Å; R353-S356 PolarHBondContact O-N 3.14Å; R353-Q357 PolarHBondContact O-N 3.15Å
354	L	77.7	Confident	84.2	Confident	76 Å²	76	61.5 Å²	61.5	40%	0.398	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-39.8	175.8	-69.1	171.6	0	0	0	111.9	S350 T351 Q357 E358	S350-L354 WeakPolarHBondContact O-CG 3.12Å; S350-L354 PolarHBondContact O-N 3.44Å; T351-L354 PolarHBondContact O-N 3.36Å; L354-Q357 CarbonylContact O-C 3.45Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.89Å; L354-E358 PolarHBondContact O-N 3.09Å
355	L	83.4	Confident	84.4	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.052	32%	0.319	C	S	.	.	H	α-helix	trans	-69.7	-40.4	179.4	-175.6	55.1	0	0	0	112.9	L342 M347 T351 R352 R353 Q357 E358 I359 L383 L385	L342-L355 HydrophobicContact CD1-CD1 4.05Å; L342-L355 HydrophobicContact CD1-CD2 4.43Å; L342-L355 HydrophobicContact CD2-CD1 3.81Å; L342-L355 HydrophobicContact CD2-CD2 3.97Å; M347-L355 HydrophobicContact CE-CD2 4.07Å; M347-L355 HydrophobicContact SD-CD2 3.38Å; M347-L355 WeakPolarHBondContact SD-CD2 3.26Å; T351-L355 VanDerWaalsContact O-CB 3.3Å; T351-L355 WeakPolarHBondContact O-CB 3.35Å; T351-L355 PolarHBondContact O-N 3.49Å; R352-L355 PolarHBondContact O-N 3.19Å; R353-L355 VanDerWaalsContact C-N 3.34Å; R353-L355 PolarHBondContact O-N 3.31Å; L355-Q357 VanDerWaalsContact C-N 3.25Å; L355-Q357 PolarHBondContact O-N 2.99Å; L355-E358 PolarHBondContact O-N 3.3Å; L355-I359 HydrophobicContact CD1-CD1 4.38Å; L355-I359 HydrophobicContact CG-CD1 4.28Å; L355-I359 WeakPolarHBondContact O-CD1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.4Å; L355-I359 PolarHBondContact O-N 2.94Å; L355-L383 HydrophobicContact CD1-CD2 4.29Å; L355-L383 HydrophobicContact CD2-CD2 3.48Å; L355-L383 VanDerWaalsContact CD2-CD2 3.48Å; L355-L383 HydrophobicContact CG-CD2 3.78Å; L355-L385 HydrophobicContact CD1-CD1 4.43Å
356	S	85.8	Confident	84.7	Confident	81 Å²	81	56.1 Å²	56.1	57%	0.566	29%	0.289	S	S	*	.	H	α-helix	trans	-61.9	-34.9	170.2	-64.8	0	0	0	0	112	R352 R353 S360	R352-S356 PolarHBondContact O-N 3.21Å; R352-S356 PolarHBondContact O-OG 3Å; R353-S356 PolarHBondContact O-N 3.14Å; S356-S360 WeakPolarHBondContact O-CB 3.48Å; S356-S360 PolarHBondContact O-N 2.87Å
357	Q	85.5	Confident	85.4	Confident	56 Å²	56	50.6 Å²	50.6	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-43.9	173.5	173.6	150.2	60.3	0	0	112.2	R353 L354 L355 I359 S360 I361	R353-Q357 PolarHBondContact O-N 3.15Å; L354-Q357 CarbonylContact O-C 3.45Å; L354-Q357 WeakPolarHBondContact O-CB 3.43Å; L354-Q357 PolarHBondContact O-N 2.89Å; L355-Q357 VanDerWaalsContact C-N 3.25Å; L355-Q357 PolarHBondContact O-N 2.99Å; Q357-I359 VanDerWaalsContact C-N 3.33Å; Q357-I359 PolarHBondContact O-N 3.23Å; Q357-S360 PolarHBondContact O-N 2.91Å; Q357-I361 HydrophobicContact CG-CD1 3.67Å; Q357-I361 HydrophobicContact CG-CG1 4.37Å; Q357-I361 WeakPolarHBondContact O-CB 3.32Å; Q357-I361 VanDerWaalsContact O-CG1 3.27Å; Q357-I361 WeakPolarHBondContact O-CG1 3.28Å; Q357-I361 PolarHBondContact O-N 2.87Å
358	E	89.5	Confident	86.2	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-46.6	174.6	-178.6	177.6	-179.4	0	0	110.9	K340 L354 L355 I361 L362 F567	K340-E358 IonicContact NZ-OE1 2.94Å; K340-E358 PolarHBondContact NZ-OE1 3.03Å; K340-E358 IonicContact NZ-OE2 2.67Å; K340-E358 PolarHBondContact NZ-OE2 3.29Å; L354-E358 PolarHBondContact O-N 3.09Å; L355-E358 PolarHBondContact O-N 3.3Å; E358-I361 PolarHBondContact O-N 3.18Å; E358-L362 HydrophobicContact CG-CD1 3.88Å; E358-L362 HydrophobicContact CG-CG 4.46Å; E358-L362 WeakPolarHBondContact O-CB 3.44Å; E358-L362 VanDerWaalsContact O-CG 3.3Å; E358-L362 WeakPolarHBondContact O-CG 3.3Å; E358-L362 PolarHBondContact O-N 3.31Å; E358-F567 HydrophobicContact CG-CB 4.1Å
359	I	89.7	Confident	86.9	Confident	20 Å²	20	45.3 Å²	45.3	10%	0.103	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-50.9	178.6	-68	161.7	0	0	0	111	L355 Q357 I361 L362 E363 L373 V376 L383 L385	L355-I359 HydrophobicContact CD1-CD1 4.38Å; L355-I359 HydrophobicContact CG-CD1 4.28Å; L355-I359 WeakPolarHBondContact O-CD1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.4Å; L355-I359 PolarHBondContact O-N 2.94Å; Q357-I359 VanDerWaalsContact C-N 3.33Å; Q357-I359 PolarHBondContact O-N 3.23Å; I359-I361 VanDerWaalsContact C-N 3.28Å; I359-I361 PolarHBondContact O-N 3.46Å; I359-L362 PolarHBondContact O-N 2.68Å; I359-L362 VanDerWaalsContact O-N 3.15Å; I359-E363 HydrophobicContact CG2-CG 4.29Å; I359-E363 WeakPolarHBondContact O-CB 3.46Å; I359-E363 WeakPolarHBondContact O-CG 3.21Å; I359-E363 PolarHBondContact O-N 3.07Å; I359-L373 HydrophobicContact CG2-CD2 4.4Å; I359-V376 HydrophobicContact CD1-CG1 4.19Å; I359-V376 HydrophobicContact CD1-CG2 4.48Å; I359-V376 HydrophobicContact CG1-CG2 4.34Å; I359-V376 HydrophobicContact CG2-CG2 4.07Å; I359-L383 HydrophobicContact CD1-CD2 3.65Å; I359-L385 HydrophobicContact CD1-CD1 4.16Å; I359-L385 HydrophobicContact CG1-CD1 4.24Å; I359-L385 HydrophobicContact CG1-CD2 4.1Å; I359-L385 HydrophobicContact CG1-CG 4.23Å
360	S	90.5	Very high	87.7	Confident	75 Å²	75	40.6 Å²	40.6	52%	0.524	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-37.3	-179.3	-179.1	0	0	0	0	112.5	S356 Q357 S364	S356-S360 WeakPolarHBondContact O-CB 3.48Å; S356-S360 PolarHBondContact O-N 2.87Å; Q357-S360 PolarHBondContact O-N 2.91Å; S360-S364 PolarHBondContact O-N 2.81Å
361	I	92.5	Very high	88.6	Confident	6 Å²	6	38.8 Å²	38.8	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-56.1	171.5	-74.1	170.5	0	0	0	109.8	Q357 E358 I359 E363 S364 L365 I429 F567	Q357-I361 HydrophobicContact CG-CD1 3.67Å; Q357-I361 HydrophobicContact CG-CG1 4.37Å; Q357-I361 WeakPolarHBondContact O-CB 3.32Å; Q357-I361 VanDerWaalsContact O-CG1 3.27Å; Q357-I361 WeakPolarHBondContact O-CG1 3.28Å; Q357-I361 PolarHBondContact O-N 2.87Å; E358-I361 PolarHBondContact O-N 3.18Å; I359-I361 VanDerWaalsContact C-N 3.28Å; I359-I361 PolarHBondContact O-N 3.46Å; I361-E363 VanDerWaalsContact C-N 3.28Å; I361-E363 PolarHBondContact O-N 3.36Å; I361-S364 WeakPolarHBondContact O-CB 3.44Å; I361-S364 PolarHBondContact O-N 2.81Å; I361-S364 PolarHBondContact O-OG 3.46Å; I361-L365 HydrophobicContact CG2-CD1 3.68Å; I361-L365 HydrophobicContact CG2-CG 4.39Å; I361-L365 WeakPolarHBondContact O-CG 3.35Å; I361-L365 PolarHBondContact O-N 3.41Å; I361-I429 HydrophobicContact CD1-CG2 4.44Å; I361-I429 HydrophobicContact CG2-CD1 4.33Å; I361-I429 HydrophobicContact CG2-CG2 3.96Å; I361-F567 HydrophobicContact CG2-CB 4.46Å; I361-F567 HydrophobicContact CG2-CD1 3.75Å; I361-F567 HydrophobicContact CG2-CE1 4.47Å; I361-F567 HydrophobicContact CG2-CG 4.41Å
362	L	92.1	Very high	89.4	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-30.9	-178.4	-73.8	173.6	0	0	0	113.8	E358 I359 S364 L365 I371 L373 L385 F567	E358-L362 HydrophobicContact CG-CD1 3.88Å; E358-L362 HydrophobicContact CG-CG 4.46Å; E358-L362 WeakPolarHBondContact O-CB 3.44Å; E358-L362 VanDerWaalsContact O-CG 3.3Å; E358-L362 WeakPolarHBondContact O-CG 3.3Å; E358-L362 PolarHBondContact O-N 3.31Å; I359-L362 PolarHBondContact O-N 2.68Å; I359-L362 VanDerWaalsContact O-N 3.15Å; L362-S364 VanDerWaalsContact C-N 3.27Å; L362-S364 PolarHBondContact O-N 2.79Å; L362-L365 PolarHBondContact O-N 3.18Å; L362-I371 HydrophobicContact CD2-CG2 3.96Å; L362-L373 HydrophobicContact CB-CB 3.88Å; L362-L373 HydrophobicContact CB-CD2 3.72Å; L362-L373 HydrophobicContact CB-CG 4.4Å; L362-L385 HydrophobicContact CD1-CD2 4.35Å; L362-F567 HydrophobicContact CD2-CB 4.23Å; L362-F567 HydrophobicContact CD2-CD2 3.63Å; L362-F567 HydrophobicContact CD2-CE2 4.22Å; L362-F567 HydrophobicContact CD2-CG 3.93Å; L362-F567 HydrophobicContact CG-CB 4.27Å; L362-F567 HydrophobicContact CG-CG 4.47Å
363	E	89.6	Confident	90	Very high	46 Å²	46	31.3 Å²	31.3	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-65.9	-27.6	172.9	-77.6	-170.9	132	0	0	113.4	I359 I361 L373 T837	I359-E363 HydrophobicContact CG2-CG 4.29Å; I359-E363 WeakPolarHBondContact O-CB 3.46Å; I359-E363 WeakPolarHBondContact O-CG 3.21Å; I359-E363 PolarHBondContact O-N 3.07Å; I361-E363 VanDerWaalsContact C-N 3.28Å; I361-E363 PolarHBondContact O-N 3.36Å; E363-L373 HydrophobicContact CG-CD2 4.08Å; E363-T837 HydrophobicContact CG-CG2 3.61Å; E363-T837 VanDerWaalsContact OE1-CB 3.27Å; E363-T837 WeakPolarHBondContact OE1-CB 3.47Å; E363-T837 VanDerWaalsContact OE1-CG2 3.24Å; E363-T837 WeakPolarHBondContact OE1-CG2 3.4Å; E363-T837 PolarHBondContact OE1-N 2.79Å; E363-T837 PolarHBondContact OE1-OG1 3.18Å
364	S	89.5	Confident	90.5	Very high	32 Å²	32	22.6 Å²	22.6	22%	0.224	13%	0.13	C	C	.	.	H	α-helix	trans	-81.1	-29.2	176.8	78.6	0	0	0	0	113.1	S360 I361 L362 H366	S360-S364 PolarHBondContact O-N 2.81Å; I361-S364 WeakPolarHBondContact O-CB 3.44Å; I361-S364 PolarHBondContact O-N 2.81Å; I361-S364 PolarHBondContact O-OG 3.46Å; L362-S364 VanDerWaalsContact C-N 3.27Å; L362-S364 PolarHBondContact O-N 2.79Å; S364-H366 PolarHBondContact O-ND1 3.01Å
365	L	91.5	Very high	91.1	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.016	11%	0.112	C	C	.	.			trans	-85.1	123.4	-164.2	-66.7	176.1	0	0	0	113.9	I361 L362 I370 H423 L424 I429 F567	I361-L365 HydrophobicContact CG2-CD1 3.68Å; I361-L365 HydrophobicContact CG2-CG 4.39Å; I361-L365 WeakPolarHBondContact O-CG 3.35Å; I361-L365 PolarHBondContact O-N 3.41Å; L362-L365 PolarHBondContact O-N 3.18Å; L365-I370 HydrophobicContact CB-CG2 4.22Å; L365-I370 HydrophobicContact CD1-CG2 4.21Å; L365-I370 HydrophobicContact CD2-CD1 4.43Å; L365-H423 WeakPolarHBondContact CA-NE2 3.5Å; L365-H423 WeakPolarHBondContact CD2-NE2 3.22Å; L365-L424 HydrophobicContact CD1-CD2 3.52Å; L365-L424 HydrophobicContact CD2-CD2 3.47Å; L365-L424 VanDerWaalsContact CD2-CD2 3.47Å; L365-L424 HydrophobicContact CG-CD2 4.15Å; L365-I429 HydrophobicContact CD2-CD1 3.79Å; L365-I429 HydrophobicContact CG-CD1 4.31Å; L365-F567 HydrophobicContact CD1-CD1 3.89Å; L365-F567 HydrophobicContact CD1-CE1 3.42Å; L365-F567 VanDerWaalsContact CD1-CE1 3.42Å; L365-F567 HydrophobicContact CD1-CZ 3.87Å
366	H	90.7	Very high	91.5	Very high	10 Å²	10	19 Å²	19	5%	0.046	11%	0.111	C	C	.	.			trans	-137.7	83.1	-174.4	-76.2	60.9	0	0	0	109.4	S364 R372 H423 P709 L710 P711	S364-H366 PolarHBondContact O-ND1 3.01Å; H366-R372 PolarHBondContact CD2-NH1 3.01Å; H366-R372 PolarHBondContact CD2-NH2 3.02Å; H366-R372 VanDerWaalsContact CD2-NH2 3.28Å; H366-R372 PolarHBondContact NE2-NH1 2.94Å; H366-R372 PolarHBondContact NE2-NH2 3.38Å; H366-H423 PolarHBondContact N-NE2 2.86Å; H366-H423 PolarHBondContact O-CE1 3.32Å; H366-P709 WeakPolarHBondContact O-CA 3.46Å; H366-L710 PolarHBondContact O-N 3.01Å; H366-P711 PolarHBondContact CD2-O 2.9Å
367	H	93.7	Very high	91.7	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.032	9%	0.09	C	C	.	.			trans	-145.2	142	-176.3	-171.7	-93.5	0	0	0	110.3	N369 I370 A420 H423 P707	H367-N369 PolarHBondContact ND1-N 3.17Å; H367-N369 VanDerWaalsContact ND1-N 3.14Å; H367-N369 PolarHBondContact O-N 2.94Å; H367-I370 HydrophobicContact CB-CB 4.08Å; H367-I370 HydrophobicContact CB-CD1 3.73Å; H367-I370 HydrophobicContact CB-CG1 3.88Å; H367-I370 PolarHBondContact O-N 3.13Å; H367-A420 PolarHBondContact CE1-N 3.47Å; H367-H423 AromaticContact CD2-CG 3.94Å; H367-P707 PolarHBondContact NE2-O 3.28Å
368	P	92.9	Very high	91.9	Very high	8 Å²	8	16.2 Å²	16.2	5%	0.052	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.4	-177.5	24	-34.9	0	0	0	113.5	K563 P707 K708 L710	P368-K563 VanDerWaalsContact O-CE 3.24Å; P368-K563 WeakPolarHBondContact O-CE 3.49Å; P368-K563 PolarHBondContact O-NZ 3.19Å; P368-P707 HydrophobicContact CG-CB 3.53Å; P368-K708 WeakPolarHBondContact CD-O 3.38Å; P368-K708 WeakPolarHBondContact CG-O 3.34Å; P368-L710 HydrophobicContact CB-CD2 4.49Å
369	N	96.4	Very high	91.8	Very high	2 Å²	2	18 Å²	18	1%	0.011	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	18.4	-179.1	-53.2	103.6	0	0	0	114.3	H367 Q416 A420 V562 K563 L564 P707	H367-N369 PolarHBondContact ND1-N 3.17Å; H367-N369 VanDerWaalsContact ND1-N 3.14Å; H367-N369 PolarHBondContact O-N 2.94Å; N369-Q416 HydrophobicContact CB-CB 4.41Å; N369-Q416 PolarHBondContact ND2-OE1 3.34Å; N369-A420 HydrophobicContact CB-CB 4.21Å; N369-V562 WeakPolarHBondContact CA-O 3.48Å; N369-V562 WeakPolarHBondContact CB-O 3.31Å; N369-V562 PolarHBondContact ND2-O 3.34Å; N369-K563 WeakPolarHBondContact O-CA 3.32Å; N369-L564 PolarHBondContact O-N 2.97Å; N369-P707 WeakPolarHBondContact OD1-CG 3.45Å
370	I	96.8	Very high	91.6	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.015	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-115.1	151.1	167.5	-63.6	174.7	0	0	0	108	L365 H367 A420 L424 K563 F567	L365-I370 HydrophobicContact CB-CG2 4.22Å; L365-I370 HydrophobicContact CD1-CG2 4.21Å; L365-I370 HydrophobicContact CD2-CD1 4.43Å; H367-I370 HydrophobicContact CB-CB 4.08Å; H367-I370 HydrophobicContact CB-CD1 3.73Å; H367-I370 HydrophobicContact CB-CG1 3.88Å; H367-I370 PolarHBondContact O-N 3.13Å; I370-A420 HydrophobicContact CD1-CB 4.37Å; I370-A420 HydrophobicContact CG1-CB 3.9Å; I370-L424 HydrophobicContact CD1-CD2 3.68Å; I370-L424 HydrophobicContact CD1-CG 4.22Å; I370-K563 PolarHBondContact O-NZ 2.87Å; I370-F567 HydrophobicContact CG2-CE2 3.85Å; I370-F567 HydrophobicContact CG2-CZ 3.65Å
371	I	95.6	Very high	91.4	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.036	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-67.6	131.6	174.3	-158.2	65.8	0	0	0	111.5	L362 M387 E388 V390 L564 V565 F567	L362-I371 HydrophobicContact CD2-CG2 3.96Å; I371-M387 HydrophobicContact CB-CE 4.4Å; I371-M387 HydrophobicContact CG1-CE 3.66Å; I371-M387 HydrophobicContact CG2-CE 3.82Å; I371-E388 HydrophobicContact CD1-CB 4.03Å; I371-V390 HydrophobicContact CD1-CG2 3.47Å; I371-V390 VanDerWaalsContact CD1-CG2 3.47Å; I371-L564 PolarHBondContact N-O 3.37Å; I371-L564 VanDerWaalsContact N-O 3.07Å; I371-V565 HydrophobicContact CB-CB 4.43Å; I371-V565 HydrophobicContact CB-CG1 4.03Å; I371-V565 HydrophobicContact CD1-CG1 4.11Å; I371-V565 HydrophobicContact CG1-CG1 4.24Å; I371-V565 HydrophobicContact CG2-CB 4.47Å; I371-F567 HydrophobicContact CG2-CD2 4.26Å; I371-F567 HydrophobicContact CG2-CE2 4.12Å
372	R	93.2	Very high	91.4	Very high	10 Å²	10	27.6 Å²	27.6	4%	0.038	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-92.6	128.3	-178.3	-167.7	159.8	-176.8	69.3	-4	111.8	H366 Y374 M387 E388	H366-R372 PolarHBondContact CD2-NH1 3.01Å; H366-R372 PolarHBondContact CD2-NH2 3.02Å; H366-R372 VanDerWaalsContact CD2-NH2 3.28Å; H366-R372 PolarHBondContact NE2-NH1 2.94Å; H366-R372 PolarHBondContact NE2-NH2 3.38Å; R372-Y374 HydrophobicContact CB-CE1 4.13Å; R372-Y374 HydrophobicContact CG-CD1 4.11Å; R372-Y374 HydrophobicContact CG-CE1 3.83Å; R372-M387 CarbonylContact O-C 3.56Å; R372-M387 VanDerWaalsContact O-CA 3.32Å; R372-M387 WeakPolarHBondContact O-CA 3.22Å; R372-E388 HydrophobicContact CB-CB 4.2Å; R372-E388 PolarHBondContact N-OE2 3.17Å; R372-E388 PolarHBondContact O-N 3.06Å
373	L	93.3	Very high	91.3	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.6	167.9	-179.8	69.7	0	0	0	109.7	I359 L362 E363 V376 L385 M387 T837	I359-L373 HydrophobicContact CG2-CD2 4.4Å; L362-L373 HydrophobicContact CB-CB 3.88Å; L362-L373 HydrophobicContact CB-CD2 3.72Å; L362-L373 HydrophobicContact CB-CG 4.4Å; E363-L373 HydrophobicContact CG-CD2 4.08Å; L373-V376 HydrophobicContact CD1-CG2 4.11Å; L373-V376 HydrophobicContact CD2-CG2 4.03Å; L373-V376 HydrophobicContact CG-CG2 4.46Å; L373-L385 HydrophobicContact CD1-CB 3.93Å; L373-L385 HydrophobicContact CD1-CG 4.13Å; L373-M387 HydrophobicContact CD1-CG 4.01Å; L373-T837 HydrophobicContact CD2-CG2 3.96Å; L373-T837 HydrophobicContact CG-CG2 4.12Å
374	Y	90.8	Very high	91.5	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.031	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-52.2	176.8	-54.8	-46.8	0	0	0	111.2	V337 R372 I386 E388 R846 I847 H850	V337-Y374 HydrophobicContact CG1-CD2 4.03Å; V337-Y374 HydrophobicContact CG1-CE2 3.95Å; R372-Y374 HydrophobicContact CB-CE1 4.13Å; R372-Y374 HydrophobicContact CG-CD1 4.11Å; R372-Y374 HydrophobicContact CG-CE1 3.83Å; Y374-I386 HydrophobicContact CD2-CG2 4.36Å; Y374-I386 PolarHBondContact N-O 2.87Å; Y374-E388 HydrophobicContact CE2-CB 4.24Å; Y374-E388 WeakPolarHBondContact OH-CA 3.5Å; Y374-E388 WeakPolarHBondContact OH-CB 3.5Å; Y374-R846 HydrophobicContact CD1-CB 4.11Å; Y374-R846 WeakPolarHBondContact O-CD 3.34Å; Y374-I847 HydrophobicContact CD1-CG1 3.97Å; Y374-I847 HydrophobicContact CD2-CD1 4.15Å; Y374-I847 HydrophobicContact CD2-CG1 3.53Å; Y374-I847 HydrophobicContact CE1-CG1 4.37Å; Y374-I847 HydrophobicContact CE2-CG1 3.94Å; Y374-I847 HydrophobicContact CG-CD1 4.37Å; Y374-I847 HydrophobicContact CG-CG1 3.54Å; Y374-H850 HydrophobicContact CE1-CB 3.83Å; Y374-H850 PolarHBondContact OH-ND1 2.97Å
375	E	90.1	Very high	91.7	Very high	8 Å²	8	24.6 Å²	24.6	4%	0.037	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.5	-168.7	-163	-175.4	152.2	0	0	110.8	Y311 I377 I386 T837 A840	Y311-E375 VanDerWaalsContact CE2-OE2 3.22Å; Y311-E375 WeakPolarHBondContact CE2-OE2 3.24Å; Y311-E375 PolarHBondContact OH-OE2 2.85Å; E375-I377 HydrophobicContact CG-CG1 4.23Å; E375-I377 VanDerWaalsContact OE1-CG1 3.24Å; E375-I377 WeakPolarHBondContact OE1-CG1 3.39Å; E375-I386 HydrophobicContact CB-CB 3.92Å; E375-I386 HydrophobicContact CB-CG1 3.85Å; E375-I386 PolarHBondContact N-O 2.79Å; E375-I386 PolarHBondContact O-N 2.76Å; E375-T837 CarbonylContact C-O 3.3Å; E375-T837 VanDerWaalsContact CA-O 3.23Å; E375-T837 WeakPolarHBondContact CA-O 3.28Å; E375-T837 WeakPolarHBondContact CG-O 3.28Å; E375-A840 WeakPolarHBondContact OE1-CA 3.42Å
376	V	91.5	Very high	91.9	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	100.9	174.2	175.8	0	0	0	0	108.4	I359 L373 L383 N384 L385 T837	I359-V376 HydrophobicContact CD1-CG1 4.19Å; I359-V376 HydrophobicContact CD1-CG2 4.48Å; I359-V376 HydrophobicContact CG1-CG2 4.34Å; I359-V376 HydrophobicContact CG2-CG2 4.07Å; L373-V376 HydrophobicContact CD1-CG2 4.11Å; L373-V376 HydrophobicContact CD2-CG2 4.03Å; L373-V376 HydrophobicContact CG-CG2 4.46Å; V376-L383 HydrophobicContact CG1-CD1 3.65Å; V376-L383 HydrophobicContact CG1-CD2 4.5Å; V376-L383 HydrophobicContact CG1-CG 4.12Å; V376-N384 CarbonylContact C-O 3.54Å; V376-N384 WeakPolarHBondContact CA-O 3.45Å; V376-L385 HydrophobicContact CG1-CD1 4.44Å; V376-L385 HydrophobicContact CG2-CG 4.26Å; V376-T837 WeakPolarHBondContact CG2-OG1 3.49Å; V376-T837 PolarHBondContact N-O 2.86Å
377	I	90.3	Very high	92.1	Very high	26 Å²	26	24.8 Å²	24.8	13%	0.133	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.7	178.4	-60.1	178.1	0	0	0	109.2	L308 Y311 E375 T379 N384 I386	L308-I377 HydrophobicContact CD1-CG2 3.9Å; L308-I377 HydrophobicContact CD2-CB 4.38Å; L308-I377 HydrophobicContact CD2-CD1 4.17Å; L308-I377 HydrophobicContact CD2-CG2 4.37Å; L308-I377 HydrophobicContact CG-CD1 4.05Å; L308-I377 HydrophobicContact CG-CG2 4.11Å; Y311-I377 HydrophobicContact CD2-CD1 3.7Å; Y311-I377 HydrophobicContact CE2-CD1 3.73Å; E375-I377 HydrophobicContact CG-CG1 4.23Å; E375-I377 VanDerWaalsContact OE1-CG1 3.24Å; E375-I377 WeakPolarHBondContact OE1-CG1 3.39Å; I377-T379 HydrophobicContact CG2-CG2 4.43Å; I377-N384 HydrophobicContact CB-CB 4.3Å; I377-N384 PolarHBondContact N-O 3.23Å; I377-N384 WeakPolarHBondContact O-CB 3.39Å; I377-N384 PolarHBondContact O-N 2.92Å; I377-N384 PolarHBondContact O-ND2 3.02Å; I377-I386 HydrophobicContact CD1-CD1 4.12Å; I377-I386 HydrophobicContact CD1-CG1 4.2Å; I377-I386 HydrophobicContact CG1-CD1 4.47Å; I377-I386 HydrophobicContact CG1-CG1 4.25Å
378	E	89.1	Confident	92.2	Very high	52 Å²	52	25.2 Å²	25.2	24%	0.243	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.5	-179	-164.7	169.6	172.5	0	0	111.2	Y50 K344 L383 R838	Y50-E378 WeakPolarHBondContact OH-CG 3.2Å; Y50-E378 PolarHBondContact OH-OE1 3.47Å; K344-E378 WeakPolarHBondContact CE-OE1 3.36Å; K344-E378 IonicContact NZ-OE1 3.3Å; K344-E378 PolarHBondContact NZ-OE1 2.89Å; E378-L383 HydrophobicContact CB-CD1 3.58Å; E378-L383 HydrophobicContact CG-CD1 3.43Å; E378-L383 VanDerWaalsContact CG-CD1 3.43Å; E378-R838 IonicContact OE2-CZ 3.69Å; E378-R838 IonicContact OE2-NE 3.05Å; E378-R838 PolarHBondContact OE2-NE 3.38Å; E378-R838 IonicContact OE2-NH2 3.26Å; E378-R838 PolarHBondContact OE2-NH2 3.05Å
379	T	88.2	Confident	92.3	Very high	46 Å²	46	27.7 Å²	27.7	28%	0.282	14%	0.136	S	C	.	.			trans	-107.3	175	176	74.7	0	0	0	0	110.4	L308 K344 I377 S381 H382	L308-T379 HydrophobicContact CD1-CG2 3.92Å; K344-T379 VanDerWaalsContact CE-O 3.26Å; K344-T379 WeakPolarHBondContact CE-O 3.14Å; K344-T379 PolarHBondContact NZ-O 3.05Å; I377-T379 HydrophobicContact CG2-CG2 4.43Å; T379-S381 VanDerWaalsContact C-N 3.27Å; T379-S381 PolarHBondContact O-N 3.22Å; T379-H382 PolarHBondContact N-O 3.09Å; T379-H382 PolarHBondContact OG1-N 3.23Å; T379-H382 PolarHBondContact OG1-O 2.89Å
380	F	85.3	Confident	92.2	Very high	175 Å²	175	28.4 Å²	28.4	77%	0.768	14%	0.14	S	C	*	.	S	Bend	trans	-56.2	-40.1	177.2	-64.3	-74.5	0	0	0	113.1	K344	K344-F380 WeakPolarHBondContact CD-O 3.46Å
381	S	87.4	Confident	91.9	Very high	64 Å²	64	30.8 Å²	30.8	45%	0.448	16%	0.161	S	C	.	.	S	Bend	trans	-107.2	-16.2	-174.1	52.4	0	0	0	0	115.1	K344 T379	K344-S381 VanDerWaalsContact CB-O 3.32Å; K344-S381 WeakPolarHBondContact CB-O 3.45Å; K344-S381 PolarHBondContact N-O 2.83Å; T379-S381 VanDerWaalsContact C-N 3.27Å; T379-S381 PolarHBondContact O-N 3.22Å
382	H	90.7	Very high	91.6	Very high	63 Å²	63	31.4 Å²	31.4	29%	0.292	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.4	-174.5	-62.7	81.8	0	0	0	113	V341 L342 T379	V341-H382 HydrophobicContact CG1-CB 4.29Å; L342-H382 CarbonylContact O-C 3.5Å; L342-H382 WeakPolarHBondContact O-CA 3.14Å; L342-H382 WeakPolarHBondContact O-CB 3.35Å; T379-H382 PolarHBondContact N-O 3.09Å; T379-H382 PolarHBondContact OG1-N 3.23Å; T379-H382 PolarHBondContact OG1-O 2.89Å
383	L	91	Very high	91.6	Very high	11 Å²	11	32.3 Å²	32.3	6%	0.058	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.8	161.2	-166.9	68.8	0	0	0	108.4	L342 L355 I359 V376 E378 L385	L342-L383 PolarHBondContact N-O 3.21Å; L342-L383 PolarHBondContact O-N 3.43Å; L355-L383 HydrophobicContact CD1-CD2 4.29Å; L355-L383 HydrophobicContact CD2-CD2 3.48Å; L355-L383 VanDerWaalsContact CD2-CD2 3.48Å; L355-L383 HydrophobicContact CG-CD2 3.78Å; I359-L383 HydrophobicContact CD1-CD2 3.65Å; V376-L383 HydrophobicContact CG1-CD1 3.65Å; V376-L383 HydrophobicContact CG1-CD2 4.5Å; V376-L383 HydrophobicContact CG1-CG 4.12Å; E378-L383 HydrophobicContact CB-CD1 3.58Å; E378-L383 HydrophobicContact CG-CD1 3.43Å; E378-L383 VanDerWaalsContact CG-CD1 3.43Å; L383-L385 HydrophobicContact CD2-CD1 4.06Å; L383-L385 HydrophobicContact CG-CD1 4.04Å
384	N	93.3	Very high	91.6	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	108.2	-172.7	-49.4	-93	0	0	0	109	L308 I339 V376 I377	L308-N384 HydrophobicContact CD2-CB 3.77Å; I339-N384 HydrophobicContact CG2-CB 3.88Å; V376-N384 CarbonylContact C-O 3.54Å; V376-N384 WeakPolarHBondContact CA-O 3.45Å; I377-N384 HydrophobicContact CB-CB 4.3Å; I377-N384 PolarHBondContact N-O 3.23Å; I377-N384 WeakPolarHBondContact O-CB 3.39Å; I377-N384 PolarHBondContact O-N 2.92Å; I377-N384 PolarHBondContact O-ND2 3.02Å
385	L	94.2	Very high	91.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.6	175.2	-79.2	57.7	0	0	0	107.8	I339 K340 L342 L355 I359 L362 L373 V376 L383 M387	I339-L385 WeakPolarHBondContact CA-O 3.22Å; K340-L385 HydrophobicContact CB-CB 4.25Å; K340-L385 PolarHBondContact N-O 2.78Å; K340-L385 PolarHBondContact O-N 2.91Å; L342-L385 HydrophobicContact CD1-CD1 3.82Å; L355-L385 HydrophobicContact CD1-CD1 4.43Å; I359-L385 HydrophobicContact CD1-CD1 4.16Å; I359-L385 HydrophobicContact CG1-CD1 4.24Å; I359-L385 HydrophobicContact CG1-CD2 4.1Å; I359-L385 HydrophobicContact CG1-CG 4.23Å; L362-L385 HydrophobicContact CD1-CD2 4.35Å; L373-L385 HydrophobicContact CD1-CB 3.93Å; L373-L385 HydrophobicContact CD1-CG 4.13Å; V376-L385 HydrophobicContact CG1-CD1 4.44Å; V376-L385 HydrophobicContact CG2-CG 4.26Å; L383-L385 HydrophobicContact CD2-CD1 4.06Å; L383-L385 HydrophobicContact CG-CD1 4.04Å; L385-M387 HydrophobicContact CB-CG 4.27Å; L385-M387 HydrophobicContact CB-SD 4.14Å
386	I	95.6	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.6	176.1	-44.9	-58.6	0	0	0	108.4	L308 Y311 V337 I339 Y374 E375 I377	L308-I386 HydrophobicContact CD2-CD1 4.43Å; Y311-I386 HydrophobicContact CD1-CG2 4.22Å; Y311-I386 HydrophobicContact CD2-CD1 4.31Å; Y311-I386 HydrophobicContact CE1-CG2 3.57Å; Y311-I386 HydrophobicContact CE2-CD1 4.37Å; Y311-I386 HydrophobicContact CE2-CG1 4.12Å; Y311-I386 HydrophobicContact CE2-CG2 4.44Å; V337-I386 HydrophobicContact CB-CG2 3.92Å; V337-I386 HydrophobicContact CG1-CG2 4.21Å; V337-I386 HydrophobicContact CG2-CG2 3.82Å; I339-I386 HydrophobicContact CB-CD1 4.36Å; I339-I386 HydrophobicContact CD1-CD1 3.76Å; I339-I386 HydrophobicContact CG1-CD1 3.71Å; I339-I386 HydrophobicContact CG2-CD1 3.95Å; Y374-I386 HydrophobicContact CD2-CG2 4.36Å; Y374-I386 PolarHBondContact N-O 2.87Å; E375-I386 HydrophobicContact CB-CB 3.92Å; E375-I386 HydrophobicContact CB-CG1 3.85Å; E375-I386 PolarHBondContact N-O 2.79Å; E375-I386 PolarHBondContact O-N 2.76Å; I377-I386 HydrophobicContact CD1-CD1 4.12Å; I377-I386 HydrophobicContact CD1-CG1 4.2Å; I377-I386 HydrophobicContact CG1-CD1 4.47Å; I377-I386 HydrophobicContact CG1-CG1 4.25Å
387	M	95.5	Very high	92.2	Very high	17 Å²	17	41.3 Å²	41.3	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.5	-169.3	-62.5	166.7	63.4	0	0	110.8	V337 A338 K340 I371 R372 L373 L385 Y389	V337-M387 CarbonylContact C-O 3.53Å; V337-M387 WeakPolarHBondContact CA-O 3.49Å; V337-M387 WeakPolarHBondContact CB-O 3.35Å; A338-M387 HydrophobicContact CB-CB 4.49Å; A338-M387 PolarHBondContact N-O 3.06Å; A338-M387 PolarHBondContact O-N 2.69Å; K340-M387 HydrophobicContact CB-SD 3.93Å; K340-M387 HydrophobicContact CD-SD 4.4Å; I371-M387 HydrophobicContact CB-CE 4.4Å; I371-M387 HydrophobicContact CG1-CE 3.66Å; I371-M387 HydrophobicContact CG2-CE 3.82Å; R372-M387 CarbonylContact O-C 3.56Å; R372-M387 VanDerWaalsContact O-CA 3.32Å; R372-M387 WeakPolarHBondContact O-CA 3.22Å; L373-M387 HydrophobicContact CD1-CG 4.01Å; L385-M387 HydrophobicContact CB-CG 4.27Å; L385-M387 HydrophobicContact CB-SD 4.14Å; M387-Y389 PolarHBondContact O-N 3.18Å
388	E	94.9	Very high	92.4	Very high	15 Å²	15	41 Å²	41	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	133.2	168.7	-179.4	179.7	-170.1	0	0	112.1	I371 R372 Y374 V390 K563 H850	I371-E388 HydrophobicContact CD1-CB 4.03Å; R372-E388 HydrophobicContact CB-CB 4.2Å; R372-E388 PolarHBondContact N-OE2 3.17Å; R372-E388 PolarHBondContact O-N 3.06Å; Y374-E388 HydrophobicContact CE2-CB 4.24Å; Y374-E388 WeakPolarHBondContact OH-CA 3.5Å; Y374-E388 WeakPolarHBondContact OH-CB 3.5Å; E388-V390 HydrophobicContact CG-CG2 4.15Å; E388-K563 VanDerWaalsContact CD-CE 3.45Å; E388-K563 WeakPolarHBondContact OE1-CE 3.34Å; E388-K563 IonicContact OE1-NZ 2.63Å; E388-K563 PolarHBondContact OE1-NZ 3.08Å; E388-K563 WeakPolarHBondContact OE2-CE 3.5Å; E388-K563 IonicContact OE2-NZ 2.98Å; E388-K563 PolarHBondContact OE2-NZ 2.92Å; E388-H850 VanDerWaalsContact CD-CE1 3.46Å; E388-H850 IonicContact OE1-CE1 2.86Å; E388-H850 PolarHBondContact OE1-CE1 2.92Å; E388-H850 IonicContact OE1-NE2 3.61Å; E388-H850 PolarHBondContact OE1-NE2 2.91Å
389	Y	95.8	Very high	92.7	Very high	60 Å²	60	38.8 Å²	38.8	24%	0.235	21%	0.205	C	C	.	.			trans	-84.9	125.2	170.9	175.8	-118.5	0	0	0	111.3	I317 L327 R336 M387 A391	I317-Y389 HydrophobicContact CD1-CD2 3.94Å; I317-Y389 HydrophobicContact CD1-CE2 3.86Å; L327-Y389 HydrophobicContact CD1-CD1 3.86Å; L327-Y389 HydrophobicContact CD1-CD2 3.62Å; L327-Y389 HydrophobicContact CD1-CE1 4.03Å; L327-Y389 HydrophobicContact CD1-CE2 3.84Å; L327-Y389 HydrophobicContact CD1-CG 3.64Å; R336-Y389 HydrophobicContact CB-CD1 3.82Å; R336-Y389 HydrophobicContact CB-CG 4.3Å; R336-Y389 WeakPolarHBondContact O-CB 3.45Å; M387-Y389 PolarHBondContact O-N 3.18Å; Y389-A391 HydrophobicContact CE1-CB 3.74Å
390	V	94	Very high	92.9	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.103	22%	0.223	C	C	.	.			trans	-119.4	121.8	-179.1	-175.6	0	0	0	0	108.7	I371 E388 L440 F441 T442 K563	I371-V390 HydrophobicContact CD1-CG2 3.47Å; I371-V390 VanDerWaalsContact CD1-CG2 3.47Å; E388-V390 HydrophobicContact CG-CG2 4.15Å; V390-L440 HydrophobicContact CB-CB 4.27Å; V390-L440 HydrophobicContact CB-CD1 3.99Å; V390-L440 HydrophobicContact CG1-CB 3.59Å; V390-L440 HydrophobicContact CG1-CD1 4.23Å; V390-F441 WeakPolarHBondContact CG1-O 3.2Å; V390-T442 HydrophobicContact CG1-CG2 4.26Å; V390-K563 HydrophobicContact CG1-CD 4.47Å; V390-K563 HydrophobicContact CG2-CD 3.63Å
391	A	90.6	Very high	93.2	Very high	54 Å²	54	40.4 Å²	40.4	45%	0.446	21%	0.212	S	C	.	.			trans	-102.6	-17.5	-158.3	0	0	0	0	0	116.1	Y389 G393	Y389-A391 HydrophobicContact CE1-CB 3.74Å; A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 3.28Å
392	G	89.6	Confident	93.4	Very high	19 Å²	19	41.2 Å²	41.2	20%	0.196	21%	0.206	C	C	.	.	S	Bend	trans	-77.9	-8.6	-171.9	0	0	0	0	0	116	F441 Y443	G392-F441 WeakPolarHBondContact CA-O 3.41Å; G392-F441 PolarHBondContact N-O 3.12Å; G392-Y443 VanDerWaalsContact CA-C 3.43Å; G392-Y443 VanDerWaalsContact CA-O 3.24Å; G392-Y443 WeakPolarHBondContact CA-O 3.47Å
393	G	92.4	Very high	93.5	Very high	29 Å²	29	39.9 Å²	39.9	30%	0.299	21%	0.209	S	C	.	.			trans	81.1	177.4	-174	0	0	0	0	0	113.3	A391 L440 F441	A391-G393 VanDerWaalsContact C-N 3.31Å; A391-G393 PolarHBondContact O-N 3.28Å; G393-L440 CarbonylContact O-C 3.59Å; G393-L440 WeakPolarHBondContact O-CA 3.01Å; G393-F441 PolarHBondContact O-N 2.95Å
394	D	94.5	Very high	93.7	Very high	14 Å²	14	44.1 Å²	44.1	8%	0.075	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-82.5	156.1	-177.6	53	83.7	0	0	0	114.2	N396 R397 R398 I439 L440	D394-N396 VanDerWaalsContact C-N 3.26Å; D394-N396 PolarHBondContact O-N 3.01Å; D394-R397 PolarHBondContact O-N 2.84Å; D394-R397 WeakPolarHBondContact OD1-CB 3.4Å; D394-R397 WeakPolarHBondContact OD1-CG 3.36Å; D394-R397 PolarHBondContact OD1-N 2.77Å; D394-R397 IonicContact OD1-NE 2.68Å; D394-R397 IonicContact OD2-CZ 3.21Å; D394-R397 IonicContact OD2-NE 3.99Å; D394-R397 PolarHBondContact OD2-NE 2.9Å; D394-R397 IonicContact OD2-NH2 3.52Å; D394-R397 PolarHBondContact OD2-NH2 3.43Å; D394-R398 PolarHBondContact O-N 2.67Å; D394-I439 CarbonylContact C-O 3.59Å; D394-I439 WeakPolarHBondContact CA-O 3.3Å; D394-L440 HydrophobicContact CB-CD2 3.68Å
395	L	95.9	Very high	93.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-34.1	179.5	176.2	64.4	0	0	0	112	R398 I399 L405 A436 I439 F441 V613 M617	L395-R398 PolarHBondContact O-N 2.94Å; L395-I399 HydrophobicContact CD1-CD1 3.67Å; L395-I399 HydrophobicContact CD1-CG1 4.16Å; L395-I399 HydrophobicContact CG-CD1 3.89Å; L395-I399 WeakPolarHBondContact O-CG1 3.13Å; L395-I399 PolarHBondContact O-N 3.4Å; L395-L405 HydrophobicContact CD1-CD1 4.4Å; L395-A436 HydrophobicContact CB-CB 4.26Å; L395-A436 WeakPolarHBondContact CB-O 3.5Å; L395-A436 HydrophobicContact CD2-CB 4.28Å; L395-A436 HydrophobicContact CG-CB 4.23Å; L395-A436 PolarHBondContact N-O 2.82Å; L395-I439 HydrophobicContact CB-CB 4.05Å; L395-I439 HydrophobicContact CB-CG2 4.09Å; L395-I439 HydrophobicContact CD2-CB 4.31Å; L395-I439 HydrophobicContact CD2-CD1 4.02Å; L395-I439 HydrophobicContact CD2-CG2 4.16Å; L395-I439 PolarHBondContact N-O 3.41Å; L395-F441 HydrophobicContact CB-CE2 4.21Å; L395-F441 HydrophobicContact CD1-CE2 3.62Å; L395-F441 HydrophobicContact CD1-CZ 3.91Å; L395-V613 HydrophobicContact CD2-CG1 3.94Å; L395-M617 HydrophobicContact CD1-CG 4.16Å; L395-M617 HydrophobicContact CD1-SD 4.39Å; L395-M617 HydrophobicContact CD2-CG 3.92Å; L395-M617 HydrophobicContact CD2-SD 4.06Å
396	N	95.5	Very high	93.8	Very high	33 Å²	33	47.5 Å²	47.5	18%	0.176	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-53.1	174.3	-166.5	-10.5	0	0	0	110.9	D394 R398 I399 I400 A436 E437 F616	D394-N396 VanDerWaalsContact C-N 3.26Å; D394-N396 PolarHBondContact O-N 3.01Å; N396-R398 VanDerWaalsContact C-N 3.31Å; N396-R398 PolarHBondContact O-N 3.17Å; N396-I399 PolarHBondContact O-N 2.89Å; N396-I399 VanDerWaalsContact O-N 3.09Å; N396-I400 WeakPolarHBondContact O-CG1 3.24Å; N396-I400 PolarHBondContact O-N 2.82Å; N396-I400 WeakPolarHBondContact OD1-CD1 2.92Å; N396-I400 WeakPolarHBondContact OD1-CG1 3.36Å; N396-A436 HydrophobicContact CB-CB 3.9Å; N396-A436 PolarHBondContact N-O 2.88Å; N396-E437 HydrophobicContact CB-CG 4.43Å; N396-E437 PolarHBondContact ND2-OE1 3.45Å; N396-F616 HydrophobicContact CB-CE1 4.44Å
397	R	93.8	Very high	93.8	Very high	164 Å²	164	49 Å²	49	62%	0.619	25%	0.253	S	S	*	.	H	α-helix	trans	-61.2	-33.8	174	-80.4	-173.5	-92.5	-165.1	-3.5	113.7	D394 I399 K401	D394-R397 PolarHBondContact O-N 2.84Å; D394-R397 WeakPolarHBondContact OD1-CB 3.4Å; D394-R397 WeakPolarHBondContact OD1-CG 3.36Å; D394-R397 PolarHBondContact OD1-N 2.77Å; D394-R397 IonicContact OD1-NE 2.68Å; D394-R397 IonicContact OD2-CZ 3.21Å; D394-R397 IonicContact OD2-NE 3.99Å; D394-R397 PolarHBondContact OD2-NE 2.9Å; D394-R397 IonicContact OD2-NH2 3.52Å; D394-R397 PolarHBondContact OD2-NH2 3.43Å; R397-I399 VanDerWaalsContact C-N 3.34Å; R397-K401 WeakPolarHBondContact O-CB 3.32Å; R397-K401 PolarHBondContact O-N 2.79Å; R397-K401 VanDerWaalsContact O-N 3.12Å
398	R	93.8	Very high	93.6	Very high	18 Å²	18	51 Å²	51	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-39.9	172.9	168.9	58.6	-168.4	68.5	0.4	111.7	D394 L395 N396 Y402 G403 L405 E409 F441	D394-R398 PolarHBondContact O-N 2.67Å; L395-R398 PolarHBondContact O-N 2.94Å; N396-R398 VanDerWaalsContact C-N 3.31Å; N396-R398 PolarHBondContact O-N 3.17Å; R398-Y402 PolarHBondContact O-N 2.89Å; R398-G403 PolarHBondContact NH1-O 2.98Å; R398-L405 VanDerWaalsContact NH2-CD2 3.28Å; R398-E409 IonicContact NH2-OE1 3.53Å; R398-F441 HydrophobicContact CB-CD2 4.15Å; R398-F441 HydrophobicContact CB-CE2 3.86Å; R398-F441 HydrophobicContact CG-CD2 4.3Å; R398-F441 HydrophobicContact CG-CE2 3.73Å; R398-F441 HydrophobicContact CG-CZ 4.26Å
399	I	94.6	Very high	93.6	Very high	6 Å²	6	51 Å²	51	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-79.6	-46.1	-178.2	-73.2	167.4	0	0	0	111.5	L395 N396 R397 K401 G403 F616 M617	L395-I399 HydrophobicContact CD1-CD1 3.67Å; L395-I399 HydrophobicContact CD1-CG1 4.16Å; L395-I399 HydrophobicContact CG-CD1 3.89Å; L395-I399 WeakPolarHBondContact O-CG1 3.13Å; L395-I399 PolarHBondContact O-N 3.4Å; N396-I399 PolarHBondContact O-N 2.89Å; N396-I399 VanDerWaalsContact O-N 3.09Å; R397-I399 VanDerWaalsContact C-N 3.34Å; I399-K401 PolarHBondContact O-N 3.28Å; I399-G403 CarbonylContact O-C 3.55Å; I399-G403 WeakPolarHBondContact O-CA 3.47Å; I399-G403 PolarHBondContact O-N 3.27Å; I399-F616 HydrophobicContact CB-CE1 3.98Å; I399-F616 HydrophobicContact CB-CZ 3.96Å; I399-F616 HydrophobicContact CD1-CD1 3.52Å; I399-F616 HydrophobicContact CD1-CE1 3.46Å; I399-F616 VanDerWaalsContact CD1-CE1 3.46Å; I399-F616 HydrophobicContact CD1-CG 4.3Å; I399-F616 HydrophobicContact CD1-CZ 4.21Å; I399-F616 HydrophobicContact CG1-CE1 4.3Å; I399-F616 HydrophobicContact CG2-CE1 4.06Å; I399-F616 HydrophobicContact CG2-CE2 4Å; I399-F616 HydrophobicContact CG2-CZ 3.67Å; I399-M617 HydrophobicContact CD1-CG 4.21Å
400	I	93.5	Very high	93.6	Very high	131 Å²	131	48.2 Å²	48.2	67%	0.672	26%	0.256	S	S	*	.	H	α-helix	trans	-55.1	-41	174.7	-71.6	174.7	0	0	0	111.4	N396	N396-I400 WeakPolarHBondContact O-CG1 3.24Å; N396-I400 PolarHBondContact O-N 2.82Å; N396-I400 WeakPolarHBondContact OD1-CD1 2.92Å; N396-I400 WeakPolarHBondContact OD1-CG1 3.36Å
401	K	91.7	Very high	93.6	Very high	124 Å²	124	50 Å²	50	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-82.9	-35.2	-171.3	-173	178.8	174.8	-152.6	0	114.8	R397 I399	R397-K401 WeakPolarHBondContact O-CB 3.32Å; R397-K401 PolarHBondContact O-N 2.79Å; R397-K401 VanDerWaalsContact O-N 3.12Å; I399-K401 PolarHBondContact O-N 3.28Å
402	Y	90.8	Very high	93.7	Very high	81 Å²	81	48.4 Å²	48.4	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-127.6	10.6	-173.2	-46.6	-89.3	0	0	0	113.4	R398 F445 K446	R398-Y402 PolarHBondContact O-N 2.89Å; Y402-F445 HydrophobicContact CD1-CD1 4.33Å; Y402-F445 HydrophobicContact CD2-CD1 4.01Å; Y402-F445 HydrophobicContact CE1-CD1 4.41Å; Y402-F445 HydrophobicContact CE2-CB 4.02Å; Y402-F445 HydrophobicContact CE2-CD1 4.05Å; Y402-F445 HydrophobicContact CE2-CG 4.47Å; Y402-F445 HydrophobicContact CG-CD1 4.11Å; Y402-K446 WeakPolarHBondContact OH-CG 3.49Å
403	G	93.7	Very high	94.1	Very high	35 Å²	35	47.5 Å²	47.5	36%	0.361	24%	0.235	S	C	.	.			trans	79.3	-179.5	-177.2	0	0	0	0	0	114.1	R398 I399	R398-G403 PolarHBondContact NH1-O 2.98Å; I399-G403 CarbonylContact O-C 3.55Å; I399-G403 WeakPolarHBondContact O-CA 3.47Å; I399-G403 PolarHBondContact O-N 3.27Å
404	K	95.1	Very high	94.3	Very high	100 Å²	100	46.1 Å²	46.1	44%	0.435	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-54	157	176.9	61.9	163.4	175.5	175.8	0	112.9	M617 L618	K404-M617 WeakPolarHBondContact CB-O 3.5Å; K404-L618 WeakPolarHBondContact CD-O 3.45Å; K404-L618 PolarHBondContact NZ-O 3.48Å
405	L	95	Very high	94.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-81.9	149.3	167.6	-61.1	-176.3	0	0	0	109.3	L395 R398 E409 S410 V413 M617	L395-L405 HydrophobicContact CD1-CD1 4.4Å; R398-L405 VanDerWaalsContact NH2-CD2 3.28Å; L405-E409 WeakPolarHBondContact CA-OE2 3.27Å; L405-E409 HydrophobicContact CB-CB 4.07Å; L405-E409 HydrophobicContact CD2-CB 4.42Å; L405-S410 VanDerWaalsContact CB-OG 3.23Å; L405-S410 WeakPolarHBondContact CB-OG 3.23Å; L405-V413 HydrophobicContact CD1-CG2 4.1Å; L405-M617 HydrophobicContact CD1-CB 4.35Å; L405-M617 HydrophobicContact CD1-CG 4.16Å; L405-M617 HydrophobicContact CD1-SD 3.95Å; L405-M617 PolarHBondContact N-O 3.33Å
406	N	94.3	Very high	94.4	Very high	78 Å²	78	46.1 Å²	46.1	42%	0.417	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-75	170.4	167.1	70.6	44	0	0	0	110.6	P408 E409 S410	N406-P408 WeakPolarHBondContact OD1-CD 3.07Å; N406-E409 VanDerWaalsContact CG-OE2 3.31Å; N406-E409 PolarHBondContact N-OE2 2.79Å; N406-E409 PolarHBondContact ND2-OE2 3.38Å; N406-E409 PolarHBondContact O-N 2.79Å; N406-E409 WeakPolarHBondContact OD1-CB 3.44Å; N406-E409 WeakPolarHBondContact OD1-CG 3.01Å; N406-E409 PolarHBondContact OD1-N 2.82Å; N406-S410 VanDerWaalsContact O-CB 3.24Å; N406-S410 WeakPolarHBondContact O-CB 3.45Å; N406-S410 PolarHBondContact O-N 3.48Å; N406-S410 PolarHBondContact O-OG 2.91Å
407	E	94.7	Very high	94.6	Very high	33 Å²	33	44.7 Å²	44.7	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-47.7	-178.3	-81.1	-172.3	-138.2	0	0	113.7	E409 S410 R411 L618 S649 W700	E407-E409 PolarHBondContact O-N 3.08Å; E407-S410 PolarHBondContact O-N 3.3Å; E407-R411 WeakPolarHBondContact O-CB 3.38Å; E407-R411 PolarHBondContact O-N 3.17Å; E407-R411 IonicContact OE2-NH2 3.59Å; E407-L618 HydrophobicContact CB-CD2 4.49Å; E407-L618 HydrophobicContact CG-CD2 3.63Å; E407-S649 WeakPolarHBondContact OE1-CB 3.24Å; E407-S649 PolarHBondContact OE1-N 3.1Å; E407-S649 PolarHBondContact OE1-OG 2.88Å; E407-S649 WeakPolarHBondContact OE2-CB 3.47Å; E407-S649 PolarHBondContact OE2-OG 3.48Å; E407-W700 HydrophobicContact CB-CZ2 4.33Å; E407-W700 HydrophobicContact CG-CZ2 4.25Å; E407-W700 PolarHBondContact OE2-NE1 2.69Å
408	P	92.4	Very high	94.8	Very high	59 Å²	59	36.9 Å²	36.9	38%	0.383	18%	0.183	S	C	.	.	H	α-helix	trans	-52.1	-48.9	171.7	-30.4	35.4	0	0	0	115.3	N406 R411 I412 L555	N406-P408 WeakPolarHBondContact OD1-CD 3.07Å; P408-R411 PolarHBondContact O-N 3.1Å; P408-I412 WeakPolarHBondContact O-CG1 3.17Å; P408-I412 PolarHBondContact O-N 3.46Å; P408-L555 HydrophobicContact CB-CD1 3.55Å
409	E	93.5	Very high	94.9	Very high	15 Å²	15	36.2 Å²	36.2	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-60	-49	175	-69.8	176	123.1	0	0	111.2	R398 L405 N406 E407 R411 I412 V413 L555 Y560	R398-E409 IonicContact NH2-OE1 3.53Å; L405-E409 WeakPolarHBondContact CA-OE2 3.27Å; L405-E409 HydrophobicContact CB-CB 4.07Å; L405-E409 HydrophobicContact CD2-CB 4.42Å; N406-E409 VanDerWaalsContact CG-OE2 3.31Å; N406-E409 PolarHBondContact N-OE2 2.79Å; N406-E409 PolarHBondContact ND2-OE2 3.38Å; N406-E409 PolarHBondContact O-N 2.79Å; N406-E409 WeakPolarHBondContact OD1-CB 3.44Å; N406-E409 WeakPolarHBondContact OD1-CG 3.01Å; N406-E409 PolarHBondContact OD1-N 2.82Å; E407-E409 PolarHBondContact O-N 3.08Å; E409-R411 VanDerWaalsContact C-N 3.28Å; E409-R411 PolarHBondContact O-N 3.03Å; E409-I412 PolarHBondContact O-N 2.9Å; E409-V413 PolarHBondContact O-N 3.42Å; E409-V413 VanDerWaalsContact O-N 3.11Å; E409-L555 HydrophobicContact CG-CD1 4.3Å; E409-Y560 HydrophobicContact CB-CD1 4.22Å; E409-Y560 HydrophobicContact CB-CE1 3.96Å; E409-Y560 HydrophobicContact CG-CD1 4.28Å; E409-Y560 HydrophobicContact CG-CE1 3.55Å; E409-Y560 VanDerWaalsContact OE1-CE1 3.25Å; E409-Y560 WeakPolarHBondContact OE1-CE1 3.23Å; E409-Y560 PolarHBondContact OE1-OH 2.99Å
410	S	95.9	Very high	95.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-38.1	-179.3	-60.3	0	0	0	0	111.7	L405 N406 E407 V413 F414 L618	L405-S410 VanDerWaalsContact CB-OG 3.23Å; L405-S410 WeakPolarHBondContact CB-OG 3.23Å; N406-S410 VanDerWaalsContact O-CB 3.24Å; N406-S410 WeakPolarHBondContact O-CB 3.45Å; N406-S410 PolarHBondContact O-N 3.48Å; N406-S410 PolarHBondContact O-OG 2.91Å; E407-S410 PolarHBondContact O-N 3.3Å; S410-V413 PolarHBondContact O-N 2.99Å; S410-F414 WeakPolarHBondContact O-CB 3.49Å; S410-F414 PolarHBondContact O-N 3.41Å; S410-L618 WeakPolarHBondContact OG-CD2 3.45Å
411	R	95	Very high	95.3	Very high	56 Å²	56	29.8 Å²	29.8	21%	0.211	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-43.2	-179.8	-168.6	-172.8	-68.6	118.1	8.2	111.5	E407 P408 E409 F414 A415 W700 L701 Q704	E407-R411 WeakPolarHBondContact O-CB 3.38Å; E407-R411 PolarHBondContact O-N 3.17Å; E407-R411 IonicContact OE2-NH2 3.59Å; P408-R411 PolarHBondContact O-N 3.1Å; E409-R411 VanDerWaalsContact C-N 3.28Å; E409-R411 PolarHBondContact O-N 3.03Å; R411-F414 PolarHBondContact O-N 3.28Å; R411-A415 WeakPolarHBondContact O-CB 3.47Å; R411-A415 PolarHBondContact O-N 3.25Å; R411-W700 HydrophobicContact CB-CH2 3.9Å; R411-W700 HydrophobicContact CB-CZ2 4.15Å; R411-W700 HydrophobicContact CB-CZ3 4.21Å; R411-W700 WeakPolarHBondContact CD-O 3.46Å; R411-W700 HydrophobicContact CG-CE3 4.39Å; R411-W700 HydrophobicContact CG-CH2 4.42Å; R411-W700 HydrophobicContact CG-CZ3 4.26Å; R411-W700 PolarHBondContact NE-O 2.93Å; R411-L701 HydrophobicContact CG-CD2 4.1Å; R411-Q704 HydrophobicContact CG-CG 3.6Å
412	I	93.3	Very high	95.6	Very high	20 Å²	20	24.8 Å²	24.8	10%	0.103	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-44	175	-67.2	167.1	0	0	0	111.1	P408 E409 Q416 L555 P557	P408-I412 WeakPolarHBondContact O-CG1 3.17Å; P408-I412 PolarHBondContact O-N 3.46Å; E409-I412 PolarHBondContact O-N 2.9Å; I412-Q416 WeakPolarHBondContact O-CG 3.22Å; I412-Q416 PolarHBondContact O-NE2 2.91Å; I412-L555 HydrophobicContact CD1-CB 3.78Å; I412-L555 HydrophobicContact CD1-CD1 4.24Å; I412-P557 HydrophobicContact CG2-CB 3.89Å
413	V	96.1	Very high	95.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-46	176.4	175.1	0	0	0	0	110.7	L405 E409 S410 Q416 L417 F441 Y560 V562 M617	L405-V413 HydrophobicContact CD1-CG2 4.1Å; E409-V413 PolarHBondContact O-N 3.42Å; E409-V413 VanDerWaalsContact O-N 3.11Å; S410-V413 PolarHBondContact O-N 2.99Å; V413-Q416 WeakPolarHBondContact O-CB 3.25Å; V413-Q416 PolarHBondContact O-N 2.87Å; V413-L417 HydrophobicContact CG1-CD1 4.05Å; V413-L417 HydrophobicContact CG1-CG 4.47Å; V413-L417 WeakPolarHBondContact O-CG 3.35Å; V413-L417 PolarHBondContact O-N 3.42Å; V413-L417 VanDerWaalsContact O-N 3.13Å; V413-F441 HydrophobicContact CG2-CE1 3.98Å; V413-F441 HydrophobicContact CG2-CZ 4.13Å; V413-Y560 HydrophobicContact CG2-CD1 4.47Å; V413-V562 HydrophobicContact CG1-CG1 3.89Å; V413-V562 HydrophobicContact CG1-CG2 4.09Å; V413-V562 HydrophobicContact CG2-CG1 4.38Å; V413-M617 HydrophobicContact CB-SD 3.96Å; V413-M617 HydrophobicContact CG1-CE 4.36Å; V413-M617 HydrophobicContact CG1-SD 3.52Å; V413-M617 VanDerWaalsContact CG1-SD 3.52Å
414	F	97.6	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-67.5	-40.5	-175.7	-158.2	-113.5	0	0	0	112.2	S410 R411 Q416 L417 I418 L610 L614 M617 L655 L659 W700 L701	S410-F414 WeakPolarHBondContact O-CB 3.49Å; S410-F414 PolarHBondContact O-N 3.41Å; R411-F414 PolarHBondContact O-N 3.28Å; F414-Q416 PolarHBondContact O-N 2.86Å; F414-L417 HydrophobicContact CD2-CD1 4.4Å; F414-L417 PolarHBondContact O-N 3.49Å; F414-I418 HydrophobicContact CD1-CD1 4.27Å; F414-I418 HydrophobicContact CD1-CG1 3.86Å; F414-I418 HydrophobicContact CE1-CD1 3.68Å; F414-I418 HydrophobicContact CE1-CG1 3.73Å; F414-I418 HydrophobicContact CE2-CD1 4.41Å; F414-I418 HydrophobicContact CG-CG1 4.48Å; F414-I418 HydrophobicContact CZ-CD1 3.75Å; F414-I418 HydrophobicContact CZ-CG1 4.26Å; F414-I418 WeakPolarHBondContact O-CG1 3.49Å; F414-I418 PolarHBondContact O-N 3.44Å; F414-L610 HydrophobicContact CE2-CB 4.04Å; F414-L610 HydrophobicContact CE2-CD2 4.05Å; F414-L610 WeakPolarHBondContact CE2-O 3.3Å; F414-L610 HydrophobicContact CZ-CB 4.08Å; F414-L614 HydrophobicContact CD2-CB 4.25Å; F414-L614 HydrophobicContact CD2-CD1 4.24Å; F414-L614 HydrophobicContact CE1-CD2 4.41Å; F414-L614 HydrophobicContact CE2-CB 3.87Å; F414-L614 HydrophobicContact CG-CD1 4.23Å; F414-L614 HydrophobicContact CZ-CB 4.24Å; F414-L614 HydrophobicContact CZ-CD2 4.37Å; F414-M617 HydrophobicContact CB-CE 4.08Å; F414-M617 HydrophobicContact CD2-CE 3.84Å; F414-M617 HydrophobicContact CG-CE 4.39Å; F414-L655 HydrophobicContact CD1-CD2 4.41Å; F414-L655 HydrophobicContact CE1-CD2 4.15Å; F414-L659 HydrophobicContact CE1-CD1 4.05Å; F414-L659 HydrophobicContact CZ-CD1 3.63Å; F414-W700 HydrophobicContact CB-CZ3 4.19Å; F414-W700 HydrophobicContact CD1-CZ3 4.16Å; F414-W700 HydrophobicContact CG-CZ3 4.45Å; F414-L701 HydrophobicContact CD1-CD1 4.46Å; F414-L701 HydrophobicContact CD1-CD2 4.3Å
415	A	96.2	Very high	96.2	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-56.8	-38.4	174.7	0	0	0	0	0	112.5	R411 A419 Q704 F706	R411-A415 WeakPolarHBondContact O-CB 3.47Å; R411-A415 PolarHBondContact O-N 3.25Å; A415-A419 WeakPolarHBondContact O-CB 3.39Å; A415-A419 PolarHBondContact O-N 2.94Å; A415-Q704 HydrophobicContact CB-CB 3.95Å; A415-Q704 HydrophobicContact CB-CG 4.19Å; A415-F706 HydrophobicContact CB-CD1 4.18Å; A415-F706 HydrophobicContact CB-CE1 3.89Å; A415-F706 HydrophobicContact CB-CZ 4.41Å; A415-F706 WeakPolarHBondContact O-CD1 3.33Å
416	Q	96.8	Very high	96.2	Very high	12 Å²	12	22 Å²	22	6%	0.056	11%	0.11	C	C	.	.	H	α-helix	trans	-69.9	-36.7	175.4	-68	173.5	82.2	0	0	113.1	N369 I412 V413 F414 A420 Y560 R561 V562 P707	N369-Q416 HydrophobicContact CB-CB 4.41Å; N369-Q416 PolarHBondContact ND2-OE1 3.34Å; I412-Q416 WeakPolarHBondContact O-CG 3.22Å; I412-Q416 PolarHBondContact O-NE2 2.91Å; V413-Q416 WeakPolarHBondContact O-CB 3.25Å; V413-Q416 PolarHBondContact O-N 2.87Å; F414-Q416 PolarHBondContact O-N 2.86Å; Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 2.86Å; Q416-Y560 PolarHBondContact NE2-O 3.48Å; Q416-R561 VanDerWaalsContact OE1-CA 3.25Å; Q416-V562 HydrophobicContact CB-CG2 3.9Å; Q416-P707 HydrophobicContact CG-CG 4.13Å
417	L	98.2	Very high	96.2	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-68.3	-42.5	174.8	-65.7	172.6	0	0	0	111.5	V413 F414 A420 V421 I439 V562 L610 V613	V413-L417 HydrophobicContact CG1-CD1 4.05Å; V413-L417 HydrophobicContact CG1-CG 4.47Å; V413-L417 WeakPolarHBondContact O-CG 3.35Å; V413-L417 PolarHBondContact O-N 3.42Å; V413-L417 VanDerWaalsContact O-N 3.13Å; F414-L417 HydrophobicContact CD2-CD1 4.4Å; F414-L417 PolarHBondContact O-N 3.49Å; L417-A420 PolarHBondContact O-N 2.98Å; L417-V421 WeakPolarHBondContact O-CG2 3.18Å; L417-V421 PolarHBondContact O-N 3.42Å; L417-I439 HydrophobicContact CD1-CD1 3.87Å; L417-I439 HydrophobicContact CD2-CD1 3.9Å; L417-I439 HydrophobicContact CD2-CG1 3.91Å; L417-I439 HydrophobicContact CD2-CG2 4.01Å; L417-V562 HydrophobicContact CD2-CG2 4.15Å; L417-V562 HydrophobicContact CG-CG2 4.3Å; L417-L610 HydrophobicContact CB-CD2 3.92Å; L417-V613 HydrophobicContact CD1-CG1 4.08Å
418	I	98	Very high	96.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-43.6	173.8	-65.3	-45.8	0	0	0	110.9	F414 A420 V421 N422 M607 L610 A670 L673 I674 F706	F414-I418 HydrophobicContact CD1-CD1 4.27Å; F414-I418 HydrophobicContact CD1-CG1 3.86Å; F414-I418 HydrophobicContact CE1-CD1 3.68Å; F414-I418 HydrophobicContact CE1-CG1 3.73Å; F414-I418 HydrophobicContact CE2-CD1 4.41Å; F414-I418 HydrophobicContact CG-CG1 4.48Å; F414-I418 HydrophobicContact CZ-CD1 3.75Å; F414-I418 HydrophobicContact CZ-CG1 4.26Å; F414-I418 WeakPolarHBondContact O-CG1 3.49Å; F414-I418 PolarHBondContact O-N 3.44Å; I418-A420 PolarHBondContact O-N 2.8Å; I418-V421 PolarHBondContact O-N 2.93Å; I418-N422 VanDerWaalsContact O-CB 3.23Å; I418-N422 WeakPolarHBondContact O-CB 3.5Å; I418-N422 PolarHBondContact O-N 3.04Å; I418-M607 HydrophobicContact CD1-CE 4.12Å; I418-L610 HydrophobicContact CD1-CD1 3.69Å; I418-L610 HydrophobicContact CD1-CD2 4.46Å; I418-A670 HydrophobicContact CG2-CB 4.15Å; I418-L673 HydrophobicContact CD1-CD1 3.58Å; I418-L673 HydrophobicContact CG1-CD1 4.01Å; I418-L673 HydrophobicContact CG2-CB 4.06Å; I418-L673 HydrophobicContact CG2-CD1 4.39Å; I418-I674 HydrophobicContact CG2-CD1 4.13Å; I418-I674 HydrophobicContact CG2-CG1 3.7Å; I418-F706 HydrophobicContact CB-CE1 4.26Å; I418-F706 HydrophobicContact CG2-CD1 4.46Å; I418-F706 HydrophobicContact CG2-CE1 4.09Å
419	A	97.5	Very high	96.4	Very high	5 Å²	5	21 Å²	21	4%	0.041	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-44.5	175	0	0	0	0	0	112.3	A415 H423 F706	A415-A419 WeakPolarHBondContact O-CB 3.39Å; A415-A419 PolarHBondContact O-N 2.94Å; A419-H423 PolarHBondContact O-N 3.07Å; A419-F706 HydrophobicContact CB-CB 4.23Å; A419-F706 HydrophobicContact CB-CD1 4.42Å
420	A	98	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.6	-49	176.6	0	0	0	0	0	112.4	H367 N369 I370 Q416 L417 I418 H423 L424	H367-A420 PolarHBondContact CE1-N 3.47Å; N369-A420 HydrophobicContact CB-CB 4.21Å; I370-A420 HydrophobicContact CD1-CB 4.37Å; I370-A420 HydrophobicContact CG1-CB 3.9Å; Q416-A420 WeakPolarHBondContact O-CB 3.38Å; Q416-A420 PolarHBondContact O-N 2.86Å; L417-A420 PolarHBondContact O-N 2.98Å; I418-A420 PolarHBondContact O-N 2.8Å; A420-H423 WeakPolarHBondContact O-CB 3.35Å; A420-H423 PolarHBondContact O-N 3.38Å; A420-L424 WeakPolarHBondContact O-CG 3.4Å; A420-L424 PolarHBondContact O-N 3.33Å; A420-L424 VanDerWaalsContact O-N 3.12Å
421	V	98.3	Very high	96.5	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-35.9	-178.7	173.3	0	0	0	0	111.6	L417 I418 H423 L424 H425 I434 L564 D606 M607 L610 A670	L417-V421 WeakPolarHBondContact O-CG2 3.18Å; L417-V421 PolarHBondContact O-N 3.42Å; I418-V421 PolarHBondContact O-N 2.93Å; V421-H423 PolarHBondContact O-N 2.98Å; V421-L424 WeakPolarHBondContact O-CB 3.31Å; V421-L424 PolarHBondContact O-N 2.99Å; V421-H425 VanDerWaalsContact CG1-CE1 3.43Å; V421-H425 WeakPolarHBondContact CG1-CE1 3.46Å; V421-H425 PolarHBondContact O-N 2.83Å; V421-I434 HydrophobicContact CG2-CD1 3.69Å; V421-L564 HydrophobicContact CG2-CD2 4.44Å; V421-D606 HydrophobicContact CG1-CB 4.36Å; V421-M607 HydrophobicContact CG1-SD 4.23Å; V421-L610 HydrophobicContact CB-CD1 4.1Å; V421-L610 HydrophobicContact CG1-CD1 4Å; V421-L610 HydrophobicContact CG2-CD1 3.97Å; V421-L610 HydrophobicContact CG2-CD2 4.4Å; V421-L610 HydrophobicContact CG2-CG 4.48Å; V421-A670 HydrophobicContact CG1-CB 4.4Å
422	N	97.7	Very high	96.4	Very high	19 Å²	19	18.4 Å²	18.4	10%	0.102	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-46.7	170.7	-175.5	74.9	0	0	0	111.6	I418 L424 H425 E426 A670 S671 I674	I418-N422 VanDerWaalsContact O-CB 3.23Å; I418-N422 WeakPolarHBondContact O-CB 3.5Å; I418-N422 PolarHBondContact O-N 3.04Å; N422-L424 PolarHBondContact O-N 2.86Å; N422-H425 PolarHBondContact O-N 2.96Å; N422-H425 VanDerWaalsContact O-N 3.16Å; N422-E426 VanDerWaalsContact ND2-CD 3.3Å; N422-E426 PolarHBondContact ND2-OE1 3.05Å; N422-E426 WeakPolarHBondContact O-CB 3.49Å; N422-E426 VanDerWaalsContact O-CG 3.3Å; N422-E426 WeakPolarHBondContact O-CG 3.25Å; N422-E426 PolarHBondContact O-N 2.69Å; N422-A670 HydrophobicContact CB-CB 3.74Å; N422-S671 WeakPolarHBondContact OD1-CA 3.35Å; N422-S671 VanDerWaalsContact OD1-CB 3.28Å; N422-S671 WeakPolarHBondContact OD1-CB 3.39Å; N422-S671 PolarHBondContact OD1-N 2.85Å; N422-S671 VanDerWaalsContact OD1-N 3.14Å; N422-I674 HydrophobicContact CB-CD1 3.56Å
423	H	97	Very high	96.5	Very high	9 Å²	9	17.7 Å²	17.7	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-59.9	-31.8	176.3	174.7	96.6	0	0	0	112.9	L365 H366 H367 A419 A420 V421 R427 P709	L365-H423 WeakPolarHBondContact CA-NE2 3.5Å; L365-H423 WeakPolarHBondContact CD2-NE2 3.22Å; H366-H423 PolarHBondContact N-NE2 2.86Å; H366-H423 PolarHBondContact O-CE1 3.32Å; H367-H423 AromaticContact CD2-CG 3.94Å; A419-H423 PolarHBondContact O-N 3.07Å; A420-H423 WeakPolarHBondContact O-CB 3.35Å; A420-H423 PolarHBondContact O-N 3.38Å; V421-H423 PolarHBondContact O-N 2.98Å; H423-R427 PolarHBondContact CE1-NE 2.8Å; H423-R427 VanDerWaalsContact CE1-NE 3.34Å; H423-R427 PolarHBondContact ND1-NH1 3.46Å; H423-R427 WeakPolarHBondContact O-CD 3.38Å; H423-R427 PolarHBondContact O-NH1 3.48Å; H423-P709 VanDerWaalsContact ND1-CG 3.32Å; H423-P709 WeakPolarHBondContact ND1-CG 3.4Å
424	L	97	Very high	96.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-69	-53.1	170.8	-60.1	-175	0	0	0	111.7	L365 I370 A420 V421 N422 E426 R427 N428 I429 H431 L564 F567	L365-L424 HydrophobicContact CD1-CD2 3.52Å; L365-L424 HydrophobicContact CD2-CD2 3.47Å; L365-L424 VanDerWaalsContact CD2-CD2 3.47Å; L365-L424 HydrophobicContact CG-CD2 4.15Å; I370-L424 HydrophobicContact CD1-CD2 3.68Å; I370-L424 HydrophobicContact CD1-CG 4.22Å; A420-L424 WeakPolarHBondContact O-CG 3.4Å; A420-L424 PolarHBondContact O-N 3.33Å; A420-L424 VanDerWaalsContact O-N 3.12Å; V421-L424 WeakPolarHBondContact O-CB 3.31Å; V421-L424 PolarHBondContact O-N 2.99Å; N422-L424 PolarHBondContact O-N 2.86Å; L424-E426 PolarHBondContact O-N 3.11Å; L424-R427 CarbonylContact O-C 3.59Å; L424-R427 WeakPolarHBondContact O-CA 3.44Å; L424-R427 PolarHBondContact O-N 2.92Å; L424-N428 PolarHBondContact O-N 2.82Å; L424-I429 CarbonylContact C-O 3.56Å; L424-I429 VanDerWaalsContact C-O 3.25Å; L424-I429 HydrophobicContact CB-CB 4.27Å; L424-I429 HydrophobicContact CB-CG2 4.39Å; L424-I429 WeakPolarHBondContact CB-O 3.28Å; L424-I429 HydrophobicContact CD2-CG2 4.13Å; L424-I429 PolarHBondContact O-N 3.29Å; L424-H431 HydrophobicContact CD1-CB 4.01Å; L424-L564 HydrophobicContact CD1-CD2 4.02Å; L424-F567 HydrophobicContact CD1-CE1 3.94Å; L424-F567 HydrophobicContact CD1-CZ 4.41Å; L424-F567 HydrophobicContact CD2-CE1 3.73Å; L424-F567 HydrophobicContact CD2-CZ 4.26Å
425	H	97	Very high	96.5	Very high	38 Å²	38	19.2 Å²	19.2	18%	0.176	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-37.3	-173.5	-69.6	-175.3	0	0	0	112.2	V421 N422 R427 N428 I429 G603 D606	V421-H425 VanDerWaalsContact CG1-CE1 3.43Å; V421-H425 WeakPolarHBondContact CG1-CE1 3.46Å; V421-H425 PolarHBondContact O-N 2.83Å; N422-H425 PolarHBondContact O-N 2.96Å; N422-H425 VanDerWaalsContact O-N 3.16Å; H425-R427 PolarHBondContact O-N 3.37Å; H425-N428 PolarHBondContact O-N 3.31Å; H425-I429 PolarHBondContact CD2-O 3.41Å; H425-G603 PolarHBondContact CE1-O 3.05Å; H425-D606 IonicContact CD2-OD2 2.75Å; H425-D606 IonicContact CE1-OD2 2.73Å; H425-D606 IonicContact NE2-OD2 3.5Å; H425-D606 PolarHBondContact NE2-OD2 3.28Å
426	E	94.9	Very high	96.6	Very high	111 Å²	111	19.1 Å²	19.1	52%	0.519	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.9	169.6	-77.4	175	174.9	0	0	114	N422 L424	N422-E426 VanDerWaalsContact ND2-CD 3.3Å; N422-E426 PolarHBondContact ND2-OE1 3.05Å; N422-E426 WeakPolarHBondContact O-CB 3.49Å; N422-E426 VanDerWaalsContact O-CG 3.3Å; N422-E426 WeakPolarHBondContact O-CG 3.25Å; N422-E426 PolarHBondContact O-N 2.69Å; L424-E426 PolarHBondContact O-N 3.11Å
427	R	94.3	Very high	96.5	Very high	92 Å²	92	21.9 Å²	21.9	35%	0.347	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	13.3	179.6	-74.7	159.7	-169.7	66.9	11.9	112.2	H423 L424 H425 I429 L572	H423-R427 PolarHBondContact CE1-NE 2.8Å; H423-R427 VanDerWaalsContact CE1-NE 3.34Å; H423-R427 PolarHBondContact ND1-NH1 3.46Å; H423-R427 WeakPolarHBondContact O-CD 3.38Å; H423-R427 PolarHBondContact O-NH1 3.48Å; L424-R427 CarbonylContact O-C 3.59Å; L424-R427 WeakPolarHBondContact O-CA 3.44Å; L424-R427 PolarHBondContact O-N 2.92Å; H425-R427 PolarHBondContact O-N 3.37Å; R427-I429 HydrophobicContact CB-CD1 3.95Å; R427-I429 HydrophobicContact CB-CG1 4.32Å; R427-I429 PolarHBondContact O-N 2.89Å; R427-L572 WeakPolarHBondContact O-CD1 3.44Å
428	N	95.5	Very high	96.4	Very high	54 Å²	54	22.2 Å²	22.2	29%	0.289	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	36	-171.7	-64.5	-45.8	0	0	0	112.4	L424 H425 L572 I573 K574	L424-N428 PolarHBondContact O-N 2.82Å; H425-N428 PolarHBondContact O-N 3.31Å; N428-L572 CarbonylContact O-C 3.42Å; N428-L572 WeakPolarHBondContact O-CA 3.47Å; N428-I573 HydrophobicContact CB-CG1 3.84Å; N428-I573 WeakPolarHBondContact CB-O 3.31Å; N428-I573 WeakPolarHBondContact O-CG1 3.41Å; N428-I573 PolarHBondContact O-N 3.36Å; N428-K574 PolarHBondContact ND2-O 2.94Å
429	I	95.7	Very high	96.3	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.8	173.3	-64.5	161.9	0	0	0	107.8	I361 L365 L424 H425 R427 L572	I361-I429 HydrophobicContact CD1-CG2 4.44Å; I361-I429 HydrophobicContact CG2-CD1 4.33Å; I361-I429 HydrophobicContact CG2-CG2 3.96Å; L365-I429 HydrophobicContact CD2-CD1 3.79Å; L365-I429 HydrophobicContact CG-CD1 4.31Å; L424-I429 CarbonylContact C-O 3.56Å; L424-I429 VanDerWaalsContact C-O 3.25Å; L424-I429 HydrophobicContact CB-CB 4.27Å; L424-I429 HydrophobicContact CB-CG2 4.39Å; L424-I429 WeakPolarHBondContact CB-O 3.28Å; L424-I429 HydrophobicContact CD2-CG2 4.13Å; L424-I429 PolarHBondContact O-N 3.29Å; H425-I429 PolarHBondContact CD2-O 3.41Å; R427-I429 HydrophobicContact CB-CD1 3.95Å; R427-I429 HydrophobicContact CB-CG1 4.32Å; R427-I429 PolarHBondContact O-N 2.89Å; I429-L572 HydrophobicContact CG1-CD1 3.83Å
430	V	95.7	Very high	96.3	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	137.3	173.8	-66.1	0	0	0	0	109.8	R432 S570 K571 I573 L580 D606	V430-R432 HydrophobicContact CB-CG 4.2Å; V430-R432 HydrophobicContact CG2-CG 3.86Å; V430-S570 CarbonylContact O-C 3.47Å; V430-S570 WeakPolarHBondContact O-CA 3.37Å; V430-S570 WeakPolarHBondContact O-CB 3.44Å; V430-K571 HydrophobicContact CG2-CB 4.26Å; V430-K571 WeakPolarHBondContact CG2-O 3.47Å; V430-K571 PolarHBondContact N-O 2.79Å; V430-K571 PolarHBondContact O-N 2.93Å; V430-I573 HydrophobicContact CG1-CD1 4.04Å; V430-I573 HydrophobicContact CG2-CG2 4.26Å; V430-L580 HydrophobicContact CG2-CD1 3.95Å; V430-D606 WeakPolarHBondContact CA-OD2 3.31Å
431	H	96	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.			trans	-82.1	-46.7	-168.1	-168.6	-97.9	0	0	0	112.6	L424 D433 I434 F567 F569 S570 D606	L424-H431 HydrophobicContact CD1-CB 4.01Å; H431-D433 PolarHBondContact CE1-O 3.24Å; H431-D433 VanDerWaalsContact ND1-C 3.33Å; H431-D433 PolarHBondContact ND1-O 3.31Å; H431-D433 PolarHBondContact O-N 3.32Å; H431-D433 VanDerWaalsContact O-N 3.13Å; H431-I434 HydrophobicContact CB-CD1 4.08Å; H431-I434 HydrophobicContact CB-CG1 3.73Å; H431-I434 WeakPolarHBondContact ND1-CG1 3.42Å; H431-I434 PolarHBondContact ND1-N 2.93Å; H431-F567 AromaticContact CD2-CD1 3.79Å; H431-F567 AromaticContact CD2-CE1 3.56Å; H431-F567 AromaticContact CD2-CZ 3.85Å; H431-F569 CarbonylContact O-C 3.58Å; H431-S570 WeakPolarHBondContact CA-OG 3.39Å; H431-S570 PolarHBondContact CD2-OG 2.83Å; H431-S570 WeakPolarHBondContact O-CA 3.42Å; H431-S570 PolarHBondContact O-N 2.96Å; H431-S570 PolarHBondContact O-OG 2.9Å; H431-S570 VanDerWaalsContact O-OG 3.12Å; H431-D606 PolarHBondContact N-OD1 2.87Å; H431-D606 PolarHBondContact N-OD2 2.95Å
432	R	94.6	Very high	95.7	Very high	14 Å²	14	25.1 Å²	25.1	5%	0.053	12%	0.118	C	C	.	.	S	Bend	trans	65.3	1	173.4	-44.9	-169.1	-58.2	143.5	4.9	117.3	V430 F569 T582 G585 Y600 D606	V430-R432 HydrophobicContact CB-CG 4.2Å; V430-R432 HydrophobicContact CG2-CG 3.86Å; R432-F569 PolarHBondContact NE-O 3.33Å; R432-F569 PolarHBondContact NH2-O 3.32Å; R432-T582 PolarHBondContact NH1-O 2.74Å; R432-G585 VanDerWaalsContact O-CA 3.31Å; R432-G585 WeakPolarHBondContact O-CA 3.3Å; R432-Y600 WeakPolarHBondContact CD-OH 3.4Å; R432-Y600 PolarHBondContact NH1-OH 2.66Å; R432-D606 PolarHBondContact N-OD1 3.06Å
433	D	94.7	Very high	95.1	Very high	5 Å²	5	28 Å²	28	3%	0.027	13%	0.128	C	C	.	.			trans	-144.4	51.5	168.1	-167.9	41.8	0	0	0	110.8	H431 K435 N438 F569 G585 S586	H431-D433 PolarHBondContact CE1-O 3.24Å; H431-D433 VanDerWaalsContact ND1-C 3.33Å; H431-D433 PolarHBondContact ND1-O 3.31Å; H431-D433 PolarHBondContact O-N 3.32Å; H431-D433 VanDerWaalsContact O-N 3.13Å; D433-K435 IonicContact OD1-NZ 2.71Å; D433-K435 PolarHBondContact OD1-NZ 2.96Å; D433-K435 WeakPolarHBondContact OD2-CE 3.13Å; D433-K435 IonicContact OD2-NZ 3.82Å; D433-K435 PolarHBondContact OD2-NZ 3.48Å; D433-N438 PolarHBondContact O-ND2 3.27Å; D433-N438 PolarHBondContact OD2-ND2 3.07Å; D433-F569 HydrophobicContact CB-CB 4.16Å; D433-F569 HydrophobicContact CB-CD2 3.72Å; D433-F569 HydrophobicContact CB-CG 4.3Å; D433-G585 VanDerWaalsContact OD1-CA 3.31Å; D433-G585 WeakPolarHBondContact OD1-CA 3.32Å; D433-S586 WeakPolarHBondContact OD1-CB 3.23Å; D433-S586 PolarHBondContact OD1-N 2.86Å; D433-S586 PolarHBondContact OD1-OG 2.89Å
434	I	97.6	Very high	94.1	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	14%	0.137	C	C	.	.			trans	-73.3	124.5	171.3	-59.9	-179.8	0	0	0	108.4	V421 H431 D606 A609 L610 V613	V421-I434 HydrophobicContact CG2-CD1 3.69Å; H431-I434 HydrophobicContact CB-CD1 4.08Å; H431-I434 HydrophobicContact CB-CG1 3.73Å; H431-I434 WeakPolarHBondContact ND1-CG1 3.42Å; H431-I434 PolarHBondContact ND1-N 2.93Å; I434-D606 HydrophobicContact CD1-CB 3.73Å; I434-A609 HydrophobicContact CB-CB 3.91Å; I434-A609 HydrophobicContact CG2-CB 4.44Å; I434-L610 HydrophobicContact CD1-CG 4.31Å; I434-L610 HydrophobicContact CG2-CD2 4.38Å; I434-V613 HydrophobicContact CG2-CG2 4.3Å
435	K	96.5	Very high	92.7	Very high	29 Å²	29	31 Å²	31	13%	0.126	14%	0.143	C	C	.	.			trans	-163.5	165.6	-177.7	62.7	-170.3	-169.3	-149.4	0	111.6	D433 E437 N438 I439 S586 Y589	D433-K435 IonicContact OD1-NZ 2.71Å; D433-K435 PolarHBondContact OD1-NZ 2.96Å; D433-K435 WeakPolarHBondContact OD2-CE 3.13Å; D433-K435 IonicContact OD2-NZ 3.82Å; D433-K435 PolarHBondContact OD2-NZ 3.48Å; K435-E437 VanDerWaalsContact C-N 3.26Å; K435-E437 WeakPolarHBondContact CB-OE2 3.42Å; K435-E437 HydrophobicContact CD-CB 4.49Å; K435-E437 VanDerWaalsContact CD-OE2 3.25Å; K435-E437 WeakPolarHBondContact CD-OE2 3.36Å; K435-E437 HydrophobicContact CG-CB 4.3Å; K435-E437 WeakPolarHBondContact CG-OE2 3.38Å; K435-E437 PolarHBondContact O-N 3.45Å; K435-N438 WeakPolarHBondContact CE-ND2 3.49Å; K435-N438 WeakPolarHBondContact CE-OD1 3.4Å; K435-N438 HydrophobicContact CG-CB 3.86Å; K435-N438 PolarHBondContact O-N 3.32Å; K435-I439 WeakPolarHBondContact O-CG1 3.32Å; K435-S586 WeakPolarHBondContact CD-OG 3.26Å; K435-S586 PolarHBondContact NZ-OG 3.33Å; K435-Y589 HydrophobicContact CB-CD1 4.02Å; K435-Y589 HydrophobicContact CB-CD2 3.71Å; K435-Y589 HydrophobicContact CB-CE1 3.83Å; K435-Y589 HydrophobicContact CB-CE2 3.49Å; K435-Y589 VanDerWaalsContact CB-CE2 3.49Å; K435-Y589 HydrophobicContact CB-CG 3.96Å
436	A	96.9	Very high	91.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24	-176.5	0	0	0	0	0	114.3	L395 N396 N438 Y589 F616	L395-A436 HydrophobicContact CB-CB 4.26Å; L395-A436 WeakPolarHBondContact CB-O 3.5Å; L395-A436 HydrophobicContact CD2-CB 4.28Å; L395-A436 HydrophobicContact CG-CB 4.23Å; L395-A436 PolarHBondContact N-O 2.82Å; N396-A436 HydrophobicContact CB-CB 3.9Å; N396-A436 PolarHBondContact N-O 2.88Å; A436-N438 VanDerWaalsContact C-N 3.32Å; A436-Y589 WeakPolarHBondContact CB-OH 3.31Å; A436-Y589 PolarHBondContact N-OH 2.86Å; A436-Y589 VanDerWaalsContact N-OH 3.14Å; A436-F616 HydrophobicContact CB-CD1 3.67Å; A436-F616 HydrophobicContact CB-CE1 3.53Å
437	E	94.7	Very high	89.2	Confident	69 Å²	69	36.2 Å²	36.2	32%	0.322	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-71.4	-29.1	172.7	-58	72.4	-158.5	0	0	112.1	N396 K435 I439	N396-E437 HydrophobicContact CB-CG 4.43Å; N396-E437 PolarHBondContact ND2-OE1 3.45Å; K435-E437 VanDerWaalsContact C-N 3.26Å; K435-E437 WeakPolarHBondContact CB-OE2 3.42Å; K435-E437 HydrophobicContact CD-CB 4.49Å; K435-E437 VanDerWaalsContact CD-OE2 3.25Å; K435-E437 WeakPolarHBondContact CD-OE2 3.36Å; K435-E437 HydrophobicContact CG-CB 4.3Å; K435-E437 WeakPolarHBondContact CG-OE2 3.38Å; K435-E437 PolarHBondContact O-N 3.45Å; E437-I439 VanDerWaalsContact C-N 3.32Å
438	N	95.9	Very high	87.1	Confident	10 Å²	10	32 Å²	32	5%	0.053	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-92.8	12.3	-176.5	-71.5	-0.6	0	0	0	112.5	D433 K435 A436 L564 V565	D433-N438 PolarHBondContact O-ND2 3.27Å; D433-N438 PolarHBondContact OD2-ND2 3.07Å; K435-N438 WeakPolarHBondContact CE-ND2 3.49Å; K435-N438 WeakPolarHBondContact CE-OD1 3.4Å; K435-N438 HydrophobicContact CG-CB 3.86Å; K435-N438 PolarHBondContact O-N 3.32Å; A436-N438 VanDerWaalsContact C-N 3.32Å; N438-L564 WeakPolarHBondContact O-CA 3.23Å; N438-V565 HydrophobicContact CB-CG2 4.39Å; N438-V565 WeakPolarHBondContact CB-O 3.47Å; N438-V565 PolarHBondContact O-N 2.95Å
439	I	97.6	Very high	84.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.2	177.7	-63.8	163.8	0	0	0	108	D394 L395 L417 K435 E437 V562 L564 V613	D394-I439 CarbonylContact C-O 3.59Å; D394-I439 WeakPolarHBondContact CA-O 3.3Å; L395-I439 HydrophobicContact CB-CB 4.05Å; L395-I439 HydrophobicContact CB-CG2 4.09Å; L395-I439 HydrophobicContact CD2-CB 4.31Å; L395-I439 HydrophobicContact CD2-CD1 4.02Å; L395-I439 HydrophobicContact CD2-CG2 4.16Å; L395-I439 PolarHBondContact N-O 3.41Å; L417-I439 HydrophobicContact CD1-CD1 3.87Å; L417-I439 HydrophobicContact CD2-CD1 3.9Å; L417-I439 HydrophobicContact CD2-CG1 3.91Å; L417-I439 HydrophobicContact CD2-CG2 4.01Å; K435-I439 WeakPolarHBondContact O-CG1 3.32Å; E437-I439 VanDerWaalsContact C-N 3.32Å; I439-V562 HydrophobicContact CG2-CB 3.96Å; I439-V562 HydrophobicContact CG2-CG1 3.99Å; I439-L564 HydrophobicContact CG1-CD1 4.35Å; I439-V613 HydrophobicContact CD1-CG1 3.73Å; I439-V613 HydrophobicContact CD1-CG2 4.11Å
440	L	96.2	Very high	82.3	Confident	37 Å²	37	37.7 Å²	37.7	19%	0.194	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.9	-177.7	-57.7	-171.9	0	0	0	112.1	V390 G393 D394 V562 K563 V565	V390-L440 HydrophobicContact CB-CB 4.27Å; V390-L440 HydrophobicContact CB-CD1 3.99Å; V390-L440 HydrophobicContact CG1-CB 3.59Å; V390-L440 HydrophobicContact CG1-CD1 4.23Å; G393-L440 CarbonylContact O-C 3.59Å; G393-L440 WeakPolarHBondContact O-CA 3.01Å; D394-L440 HydrophobicContact CB-CD2 3.68Å; L440-V562 CarbonylContact O-C 3.25Å; L440-V562 VanDerWaalsContact O-CA 3.25Å; L440-V562 WeakPolarHBondContact O-CA 3.47Å; L440-K563 PolarHBondContact N-O 3.12Å; L440-K563 PolarHBondContact O-N 3.24Å; L440-V565 HydrophobicContact CB-CG1 4.39Å; L440-V565 HydrophobicContact CD1-CG1 3.75Å; L440-V565 HydrophobicContact CD1-CG2 4.35Å; L440-V565 HydrophobicContact CG-CG1 3.75Å; L440-V565 HydrophobicContact CG-CG2 4.13Å
441	F	94.5	Very high	80	Confident	10 Å²	10	42.2 Å²	42.2	4%	0.044	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	143.1	168.7	-76	-85.3	0	0	0	111.5	V390 G392 G393 L395 R398 V413 V562	V390-F441 WeakPolarHBondContact CG1-O 3.2Å; G392-F441 WeakPolarHBondContact CA-O 3.41Å; G392-F441 PolarHBondContact N-O 3.12Å; G393-F441 PolarHBondContact O-N 2.95Å; L395-F441 HydrophobicContact CB-CE2 4.21Å; L395-F441 HydrophobicContact CD1-CE2 3.62Å; L395-F441 HydrophobicContact CD1-CZ 3.91Å; R398-F441 HydrophobicContact CB-CD2 4.15Å; R398-F441 HydrophobicContact CB-CE2 3.86Å; R398-F441 HydrophobicContact CG-CD2 4.3Å; R398-F441 HydrophobicContact CG-CE2 3.73Å; R398-F441 HydrophobicContact CG-CZ 4.26Å; V413-F441 HydrophobicContact CG2-CE1 3.98Å; V413-F441 HydrophobicContact CG2-CZ 4.13Å; F441-V562 HydrophobicContact CD1-CG1 3.63Å; F441-V562 HydrophobicContact CD2-CG1 4.42Å; F441-V562 HydrophobicContact CE1-CG1 3.48Å; F441-V562 VanDerWaalsContact CE1-CG1 3.48Å; F441-V562 HydrophobicContact CE2-CG1 4.3Å; F441-V562 HydrophobicContact CG-CG1 4.11Å; F441-V562 HydrophobicContact CZ-CG1 3.85Å
442	T	90.3	Very high	77.3	Confident	21 Å²	21	46.1 Å²	46.1	13%	0.129	21%	0.211	C	C	.	.	S	Bend	trans	-77.7	-20.3	178.5	52.3	0	0	0	0	114.1	V390 R561 K563	V390-T442 HydrophobicContact CG1-CG2 4.26Å; T442-R561 WeakPolarHBondContact CB-O 3.5Å; T442-R561 HydrophobicContact CG2-CG 4.05Å; T442-R561 PolarHBondContact N-O 3.33Å; T442-R561 WeakPolarHBondContact OG1-CB 3.21Å; T442-R561 PolarHBondContact OG1-O 3.29Å; T442-K563 HydrophobicContact CG2-CD 3.95Å; T442-K563 HydrophobicContact CG2-CG 4.39Å
443	Y	83.5	Confident	74.5	Confident	79 Å²	79	51.5 Å²	51.5	31%	0.31	24%	0.241	S	C	.	.	S	Bend	trans	-126	147.5	178.6	-65.2	-83.4	0	0	0	111.9	G392 D558 L858	G392-Y443 VanDerWaalsContact CA-C 3.43Å; G392-Y443 VanDerWaalsContact CA-O 3.24Å; G392-Y443 WeakPolarHBondContact CA-O 3.47Å; Y443-D558 VanDerWaalsContact CD2-O 3.24Å; Y443-D558 WeakPolarHBondContact CD2-O 3.39Å; Y443-D558 WeakPolarHBondContact CE2-O 3.45Å; Y443-L858 WeakPolarHBondContact OH-CD2 3.42Å
444	D	76.3	Confident	71.3	Confident	45 Å²	45	58.9 Å²	58.9	24%	0.241	27%	0.273	C	S	.	.			trans	-76.7	122.5	172.6	179.7	-4.5	0	0	0	110.1	K446 Y447	D444-K446 PolarHBondContact O-N 2.77Å; D444-K446 WeakPolarHBondContact OD1-CB 3.39Å; D444-K446 WeakPolarHBondContact OD1-CG 3.36Å; D444-K446 PolarHBondContact OD1-N 3.26Å; D444-K446 VanDerWaalsContact OD2-CD 3.3Å; D444-K446 WeakPolarHBondContact OD2-CD 3.21Å; D444-K446 IonicContact OD2-NZ 3.84Å; D444-Y447 HydrophobicContact CB-CD2 4.03Å; D444-Y447 HydrophobicContact CB-CE2 4.12Å; D444-Y447 WeakPolarHBondContact O-CD2 3.16Å; D444-Y447 PolarHBondContact O-N 3.26Å
445	F	67.9	Low	68	Low	27 Å²	27	64.3 Å²	64.3	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-10.1	-179.9	-159.5	-101.1	0	0	0	114.4	Y402 Y447 T448 T449 Y560	Y402-F445 HydrophobicContact CD1-CD1 4.33Å; Y402-F445 HydrophobicContact CD2-CD1 4.01Å; Y402-F445 HydrophobicContact CE1-CD1 4.41Å; Y402-F445 HydrophobicContact CE2-CB 4.02Å; Y402-F445 HydrophobicContact CE2-CD1 4.05Å; Y402-F445 HydrophobicContact CE2-CG 4.47Å; Y402-F445 HydrophobicContact CG-CD1 4.11Å; F445-Y447 PolarHBondContact O-N 2.79Å; F445-T448 HydrophobicContact CD2-CG2 4.44Å; F445-T448 WeakPolarHBondContact CD2-OG1 3.37Å; F445-T448 WeakPolarHBondContact CE2-OG1 3.24Å; F445-T448 WeakPolarHBondContact CG-OG1 3.45Å; F445-T448 PolarHBondContact O-OG1 3.14Å; F445-T449 HydrophobicContact CD1-CG2 3.97Å; F445-T449 HydrophobicContact CE1-CG2 3.48Å; F445-T449 VanDerWaalsContact CE1-CG2 3.48Å; F445-T449 HydrophobicContact CZ-CG2 4.09Å; F445-T449 PolarHBondContact O-OG1 3.07Å; F445-Y560 AromaticContact CE2-CE1 3.87Å; F445-Y560 HydrophobicContact CE2-CE1 3.87Å
446	K	66.1	Low	64.8	Low	104 Å²	104	67.7 Å²	67.7	45%	0.452	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-28.9	166.6	-73.5	-178.3	-162.7	158	0	113.7	Y402 D444 Q450	Y402-K446 WeakPolarHBondContact OH-CG 3.49Å; D444-K446 PolarHBondContact O-N 2.77Å; D444-K446 WeakPolarHBondContact OD1-CB 3.39Å; D444-K446 WeakPolarHBondContact OD1-CG 3.36Å; D444-K446 PolarHBondContact OD1-N 3.26Å; D444-K446 VanDerWaalsContact OD2-CD 3.3Å; D444-K446 WeakPolarHBondContact OD2-CD 3.21Å; D444-K446 IonicContact OD2-NZ 3.84Å; K446-Q450 WeakPolarHBondContact O-CG 3.23Å; K446-Q450 PolarHBondContact O-NE2 2.88Å
447	Y	52.8	Low	61.5	Low	155 Å²	155	77.3 Å²	77.3	61%	0.608	38%	0.377	S	S	*	.	H	α-helix	trans	-89.9	-36.2	-175.4	-63.7	-76.3	0	0	0	112.4	D444 F445 T449 Q450	D444-Y447 HydrophobicContact CB-CD2 4.03Å; D444-Y447 HydrophobicContact CB-CE2 4.12Å; D444-Y447 WeakPolarHBondContact O-CD2 3.16Å; D444-Y447 PolarHBondContact O-N 3.26Å; F445-Y447 PolarHBondContact O-N 2.79Å; Y447-T449 PolarHBondContact O-N 2.91Å; Y447-Q450 PolarHBondContact O-N 3.22Å
448	T	50.7	Low	58.3	Low	5 Å²	5	81 Å²	81	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-60.7	-48.5	178.7	57.3	0	0	0	0	111	F445 Q450 I451 Y452 H559	F445-T448 HydrophobicContact CD2-CG2 4.44Å; F445-T448 WeakPolarHBondContact CD2-OG1 3.37Å; F445-T448 WeakPolarHBondContact CE2-OG1 3.24Å; F445-T448 WeakPolarHBondContact CG-OG1 3.45Å; F445-T448 PolarHBondContact O-OG1 3.14Å; T448-Q450 PolarHBondContact O-N 2.88Å; T448-I451 WeakPolarHBondContact O-CB 3.41Å; T448-I451 PolarHBondContact O-N 2.77Å; T448-Y452 VanDerWaalsContact O-CD2 3.25Å; T448-Y452 WeakPolarHBondContact O-CD2 3.47Å; T448-Y452 PolarHBondContact O-N 2.71Å; T448-H559 HydrophobicContact CG2-CB 3.77Å
449	T	47.3	Very low	55.1	Low	48 Å²	48	87.9 Å²	87.9	29%	0.294	43%	0.428	S	S	.	.	H	α-helix	trans	-63	-22.8	179.5	43.3	0	0	0	0	114.1	F445 Y447 N453	F445-T449 HydrophobicContact CD1-CG2 3.97Å; F445-T449 HydrophobicContact CE1-CG2 3.48Å; F445-T449 VanDerWaalsContact CE1-CG2 3.48Å; F445-T449 HydrophobicContact CZ-CG2 4.09Å; F445-T449 PolarHBondContact O-OG1 3.07Å; Y447-T449 PolarHBondContact O-N 2.91Å; T449-N453 WeakPolarHBondContact O-CB 3.34Å; T449-N453 PolarHBondContact O-N 2.88Å; T449-N453 PolarHBondContact O-ND2 3.21Å
450	Q	43.4	Very low	52	Low	127 Å²	127	97.8 Å²	97.8	59%	0.593	47%	0.471	S	S	*	.	H	α-helix	trans	-79	-22	174.6	-69.8	176.8	47.9	0	0	113.5	K446 Y447 T448	K446-Q450 WeakPolarHBondContact O-CG 3.23Å; K446-Q450 PolarHBondContact O-NE2 2.88Å; Y447-Q450 PolarHBondContact O-N 3.22Å; T448-Q450 PolarHBondContact O-N 2.88Å
451	I	46.1	Very low	48.9	Very low	98 Å²	98	99.1 Å²	99.1	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-77.4	-52.3	176.4	-63	169.2	0	0	0	109.2	T448 N453	T448-I451 WeakPolarHBondContact O-CB 3.41Å; T448-I451 PolarHBondContact O-N 2.77Å; I451-N453 PolarHBondContact O-N 3.36Å
452	Y	39.5	Very low	45.7	Very low	82 Å²	82	105.4 Å²	105.4	32%	0.322	53%	0.533	S	S	.	.	H	α-helix	trans	-75.5	-17.6	-175.1	-62	-74.4	0	0	0	114.7	T448 L553 D554 H559	T448-Y452 VanDerWaalsContact O-CD2 3.25Å; T448-Y452 WeakPolarHBondContact O-CD2 3.47Å; T448-Y452 PolarHBondContact O-N 2.71Å; Y452-L553 HydrophobicContact CD1-CD2 4.23Å; Y452-D554 PolarHBondContact OH-O 3.34Å; Y452-H559 AromaticContact CE2-ND1 3.86Å; Y452-H559 PolarHBondContact OH-ND1 2.97Å
453	N	35.4	Very low	42.9	Very low	127 Å²	127	114.1 Å²	114.1	68%	0.679	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	17.3	176.6	-73.5	-77	0	0	0	114.6	T449 I451 P455	T449-N453 WeakPolarHBondContact O-CB 3.34Å; T449-N453 PolarHBondContact O-N 2.88Å; T449-N453 PolarHBondContact O-ND2 3.21Å; I451-N453 PolarHBondContact O-N 3.36Å; N453-P455 VanDerWaalsContact O-CD 3.29Å; N453-P455 WeakPolarHBondContact O-CD 3.4Å
454	K	28.5	Very low	40.3	Very low	160 Å²	160	118 Å²	118	70%	0.696	59%	0.594	S	S	*	*			trans	-81.1	113	170.9	-106.3	178.8	178.2	172.5	0	109.8	S456	K454-S456 PolarHBondContact O-N 3.2Å
455	P	27.2	Very low	38.1	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	63%	0.625	S	S	*	*			trans	-63.7	125.1	174.9	26.5	-33.6	0	0	0	109.7	N453 K457	N453-P455 VanDerWaalsContact O-CD 3.29Å; N453-P455 WeakPolarHBondContact O-CD 3.4Å; P455-K457 PolarHBondContact O-N 3.26Å
456	S	29.2	Very low	36.3	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	65%	0.652	S	S	*	*			trans	-63.6	106.7	178.5	42.1	0	0	0	0	110	K454 L458	K454-S456 PolarHBondContact O-N 3.2Å; S456-L458 VanDerWaalsContact C-N 3.25Å; S456-L458 PolarHBondContact O-N 2.88Å
457	K	28.6	Very low	34.4	Very low	202 Å²	202	131 Å²	131	88%	0.878	68%	0.676	S	S	*	*			trans	-69.2	85.4	170.1	-76.1	-169.9	175.9	-175.7	0	109.2	P455 K459	P455-K457 PolarHBondContact O-N 3.26Å; K457-K459 PolarHBondContact O-N 2.99Å; K457-K459 VanDerWaalsContact O-N 3.07Å
458	L	28.3	Very low	33.3	Very low	147 Å²	147	127.3 Å²	127.3	77%	0.77	69%	0.685	S	S	*	*			trans	-52.5	116.5	168.1	-91.2	77.9	0	0	0	108.8	S456 K460	S456-L458 VanDerWaalsContact C-N 3.25Å; S456-L458 PolarHBondContact O-N 2.88Å; L458-K460 PolarHBondContact O-N 3.19Å; L458-K460 VanDerWaalsContact O-N 3.12Å
459	K	27.9	Very low	32.3	Very low	154 Å²	154	133.2 Å²	133.2	67%	0.67	72%	0.721	S	S	*	*			trans	-64.4	110	164.1	-66.6	175.4	-175.6	168.3	0	106.5	K457 G461	K457-K459 PolarHBondContact O-N 2.99Å; K457-K459 VanDerWaalsContact O-N 3.07Å; K459-G461 PolarHBondContact O-N 3.22Å
460	K	31.2	Very low	31.3	Very low	208 Å²	208	139.8 Å²	139.8	90%	0.904	75%	0.746	S	S	*	*			trans	-57.2	124.7	168.8	-76.7	-171.7	174.4	-177.6	0	108	L458	L458-K460 PolarHBondContact O-N 3.19Å; L458-K460 VanDerWaalsContact O-N 3.12Å
461	G	31.7	Very low	30.7	Very low	66 Å²	66	141.9 Å²	141.9	68%	0.68	76%	0.755	S	S	*	*			trans	-63.7	141.5	-166.1	0	0	0	0	0	113.9	K459 K463	K459-G461 PolarHBondContact O-N 3.22Å; G461-K463 PolarHBondContact O-N 3.38Å; G461-K463 VanDerWaalsContact O-N 3.14Å
462	T	27.3	Very low	29.7	Very low	141 Å²	141	144.6 Å²	144.6	87%	0.865	77%	0.766	S	S	*	*			trans	-60.5	108.2	163.6	31.2	0	0	0	0	109.8	I464	T462-I464 PolarHBondContact O-N 3.43Å
463	K	32.7	Very low	29.2	Very low	204 Å²	204	148.6 Å²	148.6	89%	0.887	79%	0.785	S	S	*	*			trans	-69.6	114.5	169.3	-82.2	-173.9	173.1	-179	0	109.7	G461 K465	G461-K463 PolarHBondContact O-N 3.38Å; G461-K463 VanDerWaalsContact O-N 3.14Å; K463-K465 PolarHBondContact O-N 3.41Å
464	I	27.2	Very low	28.9	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	79%	0.788	S	S	*	*			trans	-77.9	115.6	162.8	-59	172.8	0	0	0	107.8	T462	T462-I464 PolarHBondContact O-N 3.43Å
465	K	31.6	Very low	28.9	Very low	204 Å²	204	150.6 Å²	150.6	89%	0.887	80%	0.797	S	S	*	*			trans	-146	133.9	152.1	-78.1	-153.1	172.6	-165.3	0	108.2	K463	K463-K465 PolarHBondContact O-N 3.41Å
466	G	29.9	Very low	29.3	Very low	67 Å²	67	149.5 Å²	149.5	69%	0.691	79%	0.79	S	S	*	*			trans	-88.5	168.8	-178.1	0	0	0	0	0	114.1
467	N	25.6	Very low	29.2	Very low	176 Å²	176	151.3 Å²	151.3	94%	0.941	79%	0.791	S	S	*	*			trans	38.4	106.9	155.7	-59.9	-2.5	0	0	0	118.5
468	G	30.3	Very low	29	Very low	79 Å²	79	150.8 Å²	150.8	81%	0.814	79%	0.79	S	S	*	*			trans	-164.7	49.9	-180	0	0	0	0	0	116.4
469	V	29.5	Very low	29	Very low	129 Å²	129	151.4 Å²	151.4	78%	0.782	79%	0.792	S	S	*	*			trans	27.6	103.4	153.8	-173.6	0	0	0	0	120
470	K	26.6	Very low	28.9	Very low	185 Å²	185	150.7 Å²	150.7	80%	0.804	80%	0.796	S	S	*	*			trans	66.7	145.7	139.1	-64.9	-179.8	179.3	179.3	0	123.1
471	Q	30.5	Very low	28.9	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	78%	0.784	S	S	*	*			trans	84.2	102.8	153.2	-74.7	172.8	106	0	0	122
472	Q	24	Very low	28.6	Very low	156 Å²	156	149.2 Å²	149.2	73%	0.729	79%	0.787	S	S	*	*				33.8	132.7	114.2	-68.9	-172.8	19	0	0	118.7
473	K	29.3	Very low	28.7	Very low	165 Å²	165	151.1 Å²	151.1	72%	0.717	78%	0.784	S	S	*	*			cis	-170.1	164.3	44.7	-119	151	-179	172.3	0	113.4
474	N	28.9	Very low	28.5	Very low	139 Å²	139	148.1 Å²	148.1	74%	0.743	77%	0.773	S	S	*	*			trans	61.7	104.2	149.5	-61.6	-2.2	0	0	0	123.7
475	H	28.3	Very low	28.5	Very low	190 Å²	190	145.6 Å²	145.6	88%	0.88	77%	0.765	S	S	*	*				38.8	163.2	116.2	-87	-52.9	0	0	0	124.2
476	P	36.6	Very low	28.4	Very low	94 Å²	94	141.4 Å²	141.4	61%	0.61	75%	0.752	S	S	*	*			trans	-134.7	177.1	-138.1	42.3	-23.1	0	0	0	116.9
477	N	26.4	Very low	28.4	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	75%	0.753	S	S	*	*				163.1	137.3	122.8	-90	-28.5	0	0	0	116.2
478	F	24.2	Very low	28.6	Very low	191 Å²	191	145.5 Å²	145.5	84%	0.838	75%	0.749	S	S	*	*			trans	69.4	160.2	140.8	-96.2	-95	0	0	0	125.4
479	I	28.4	Very low	28.5	Very low	161 Å²	161	148 Å²	148	83%	0.826	74%	0.74	S	S	*	*			trans	82.7	130.3	164.9	-24.3	-172.7	0	0	0	119.1
480	D	26.4	Very low	28.5	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	74%	0.735	S	S	*	*			trans	-90	-161.2	170.6	-151.1	25	0	0	0	108.4
481	P	32.3	Very low	28.4	Very low	102 Å²	102	147.3 Å²	147.3	66%	0.662	73%	0.732	S	S	*	*			cis	-132.1	-176.7	-13.2	42.9	-25.2	0	0	0	115.5
482	N	25.2	Very low	28.1	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	73%	0.726	S	S	*	*			trans	-41.1	136.1	172.9	-58.6	-91.9	0	0	0	117.1
483	K	30	Very low	28.5	Very low	182 Å²	182	145.3 Å²	145.3	79%	0.791	73%	0.726	S	S	*	*				176.2	141.9	106	-98.5	172.6	162.4	-170.5	0	118.1
484	Q	28.2	Very low	28.4	Very low	140 Å²	140	143.6 Å²	143.6	65%	0.654	73%	0.725	S	S	*	*			trans	73.9	108.7	138.3	-71.8	177.9	-94	0	0	124.7
485	T	27.4	Very low	28.6	Very low	110 Å²	110	142.9 Å²	142.9	68%	0.675	72%	0.721	S	S	*	*			trans	75.4	159	130.6	67.5	0	0	0	0	119.2
486	N	29.7	Very low	28.8	Very low	115 Å²	115	139.4 Å²	139.4	62%	0.615	71%	0.709	S	S	*	*			cis	-149.5	154.3	25.1	-107.9	-60.5	0	0	0	115.6
487	K	28.5	Very low	28.7	Very low	159 Å²	159	141.7 Å²	141.7	69%	0.691	71%	0.711	S	S	*	*			trans	26.7	126.3	144.1	-58.9	161.1	-173.9	170.6	0	122.5
488	I	29.4	Very low	29.1	Very low	171 Å²	171	141.9 Å²	141.9	88%	0.877	71%	0.707	S	S	*	*				-144.9	101.2	114.6	-55.9	-174.9	0	0	0	105.7
489	Q	29.3	Very low	29.5	Very low	130 Å²	130	138.9 Å²	138.9	61%	0.607	70%	0.696	S	S	*	*				57.1	108.8	80	-79	-144.5	8.5	0	0	119.2
490	K	28.3	Very low	29.7	Very low	160 Å²	160	136.9 Å²	136.9	70%	0.696	68%	0.683	S	S	*	*			trans	80.4	110.8	131.8	-71.1	-176	177.2	175.3	0	122.5
491	L	25.8	Very low	29.9	Very low	141 Å²	141	138.9 Å²	138.9	74%	0.738	69%	0.685	S	S	*	*				87.8	132.9	116.5	-71.4	173.8	0	0	0	122.7
492	L	24.6	Very low	29.6	Very low	128 Å²	128	145.7 Å²	145.7	67%	0.67	70%	0.697	S	S	*	*			trans	84.5	142.2	142.5	-74.2	163.2	0	0	0	121.3
493	H	30.8	Very low	29.7	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.727	70%	0.7	S	S	*	*			trans	69.9	141.9	162.1	-60.3	129.8	0	0	0	118.7
494	N	28.7	Very low	29.7	Very low	128 Å²	128	147.3 Å²	147.3	68%	0.684	71%	0.706	S	S	*	*			cis	-162.3	-178.7	-23.2	-158.3	10	0	0	0	109.9
495	N	32.7	Very low	29.6	Very low	124 Å²	124	145.3 Å²	145.3	66%	0.663	71%	0.707	S	S	*	*			trans	76.3	151.6	167.2	-49.5	-23	0	0	0	115.6
496	N	32.8	Very low	29.5	Very low	118 Å²	118	145 Å²	145	63%	0.631	71%	0.709	S	S	*	*			cis	-166	154.4	-27.4	-95	-23.2	0	0	0	105.2
497	H	34.2	Very low	29.5	Very low	141 Å²	141	146.3 Å²	146.3	65%	0.653	71%	0.712	S	S	*	*			cis	-149.7	179	1.9	-111.5	1.9	0	0	0	105.4
498	H	33.5	Very low	29.6	Very low	142 Å²	142	145.8 Å²	145.8	66%	0.657	71%	0.709	S	S	*	*			cis	-157.7	-175.2	7.3	-135.4	29.5	0	0	0	106.8
499	H	33.5	Very low	29.5	Very low	129 Å²	129	144.4 Å²	144.4	60%	0.597	70%	0.704	S	S	*	*			cis	-140.3	-92.1	-1.6	-178.1	-136.7	0	0	0	111.3
500	Q	32	Very low	29.5	Very low	119 Å²	119	144.3 Å²	144.3	56%	0.556	71%	0.708	S	S	*	*			trans	-156.4	159.1	-165.8	-67.6	-172.5	48.2	0	0	110.5
501	K	30.3	Very low	29.8	Very low	181 Å²	181	144.3 Å²	144.3	79%	0.787	71%	0.71	S	S	*	*			cis	-156.7	178.8	-8.3	-119.2	172	-168.9	155.5	0	110.6
502	R	27.3	Very low	29.9	Very low	245 Å²	245	142.7 Å²	142.7	93%	0.925	71%	0.71	S	S	*	*			trans	-76	160.4	-178.1	-78.7	176.6	167.5	161.9	-6	114.9
503	S	27.8	Very low	30.3	Very low	116 Å²	116	144 Å²	144	81%	0.811	72%	0.716	S	S	*	*			trans	-75.5	156.5	176.4	47.3	0	0	0	0	115.4
504	R	28.4	Very low	30.2	Very low	240 Å²	240	147.4 Å²	147.4	91%	0.906	72%	0.723	S	S	*	*			trans	-161.9	131.7	145.4	-121.2	173.4	-176.6	163.3	-0.1	113.9
505	S	26.1	Very low	30.2	Very low	97 Å²	97	147.6 Å²	147.6	68%	0.678	73%	0.729	S	S	*	*			trans	46.5	116.4	144.6	57.7	0	0	0	0	123
506	S	25.9	Very low	29.8	Very low	103 Å²	103	147.2 Å²	147.2	72%	0.72	74%	0.736	S	S	*	*				69	121.1	124.1	67.4	0	0	0	0	122.5
507	E	28.6	Very low	29.6	Very low	144 Å²	144	147.4 Å²	147.4	67%	0.673	75%	0.746	S	S	*	*				159.9	145.7	105.3	-86.6	-146.9	112.3	0	0	113.5
508	K	31.3	Very low	29.1	Very low	147 Å²	147	146.3 Å²	146.3	64%	0.639	76%	0.755	S	S	*	*			trans	65.2	108.2	150.8	-69.9	157.1	-176.6	151.5	0	121
509	N	26.9	Very low	28.8	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	76%	0.759	S	S	*	*				62	138.7	119.3	-58	9.5	0	0	0	119.2
510	D	30.8	Very low	28.5	Very low	129 Å²	129	147.7 Å²	147.7	69%	0.69	77%	0.771	S	S	*	*			cis	-156.2	154.8	49.4	-110.9	-33.4	0	0	0	118.3
511	H	32.9	Very low	28.1	Very low	159 Å²	159	153.7 Å²	153.7	74%	0.736	79%	0.79	S	S	*	*			trans	52.2	108	145.1	-79.4	59.5	0	0	0	124.8
512	S	29.4	Very low	27.8	Very low	108 Å²	108	154.9 Å²	154.9	76%	0.755	80%	0.795	S	S	*	*			trans	71.3	155.9	135.2	77.2	0	0	0	0	118.9
513	I	32.8	Very low	27.7	Very low	154 Å²	154	151.9 Å²	151.9	79%	0.79	79%	0.794	S	S	*	*			cis	-131.8	163.9	23	-65.7	174.2	0	0	0	112
514	R	27.5	Very low	27.5	Very low	229 Å²	229	155.7 Å²	155.7	86%	0.864	80%	0.796	S	S	*	*			trans	-47.5	160.2	166.9	-67.1	170.2	165.4	157.8	-7.4	112.9
515	T	30.2	Very low	27.3	Very low	132 Å²	132	153.6 Å²	153.6	81%	0.81	80%	0.796	S	S	*	*			cis	-146.8	157.4	39.9	47.3	0	0	0	0	114.3
516	S	23.4	Very low	27.2	Very low	116 Å²	116	158.1 Å²	158.1	81%	0.811	81%	0.807	S	S	*	*			trans	-121.2	115.1	174.1	57.1	0	0	0	0	110.9
517	S	29.3	Very low	27.1	Very low	122 Å²	122	161.7 Å²	161.7	85%	0.853	81%	0.812	S	S	*	*			trans	-130.1	65.7	177.6	-64.6	0	0	0	0	111.3
518	S	23.6	Very low	27	Very low	119 Å²	119	165.3 Å²	165.3	83%	0.832	82%	0.821	S	S	*	*			trans	-90	113	174.5	-177.9	0	0	0	0	111
519	S	27	Very low	26.6	Very low	108 Å²	108	167.7 Å²	167.7	76%	0.755	83%	0.834	S	S	*	*			trans	-170.6	143.3	160.8	-92.6	0	0	0	0	113.2
520	K	26.6	Very low	26.5	Very low	191 Å²	191	165.8 Å²	165.8	83%	0.83	83%	0.832	S	S	*	*	S	Bend	trans	59.2	73.9	162.3	-60	176.5	-177.8	176.1	0	117.6
521	Y	25.1	Very low	26.4	Very low	246 Å²	246	165.9 Å²	165.9	97%	0.965	84%	0.838	S	S	*	*				-156.3	92.5	124.8	-101	-68	0	0	0	109.6
522	K	23.4	Very low	26.1	Very low	205 Å²	205	163 Å²	163	89%	0.891	84%	0.836	S	S	*	*			trans	-147.4	83.3	177.7	-169	-179.5	-177.2	-178.2	0	111.2
523	M	25.1	Very low	26	Very low	182 Å²	182	168.7 Å²	168.7	90%	0.897	84%	0.842	S	S	*	*			trans	-162	142.9	165.3	-111.1	-179.4	131.7	0	0	109.9
524	K	24.4	Very low	25.6	Very low	196 Å²	196	169 Å²	169	85%	0.852	85%	0.845	S	S	*	*			trans	65.4	65.1	174.7	-59.8	-169	174.6	-172	0	117.7
525	Q	24.1	Very low	25.5	Very low	196 Å²	196	169.7 Å²	169.7	92%	0.916	85%	0.848	S	S	*	*			trans	-140	59.7	144.6	-76.1	-160.9	-0	0	0	110.6
526	E	23.8	Very low	25.3	Very low	193 Å²	193	173 Å²	173	90%	0.902	85%	0.851	S	S	*	*			trans	-139.1	81.4	172.6	-74	-174.1	170.8	0	0	110.3
527	E	24	Very low	25.7	Very low	178 Å²	178	177.3 Å²	177.3	83%	0.832	86%	0.855	S	S	*	*			trans	-160.7	161.3	153.9	-122.3	178.6	169.3	0	0	108.7
528	Y	25.4	Very low	25.6	Very low	219 Å²	219	180 Å²	180	86%	0.859	86%	0.859	S	S	*	*			trans	67.6	48.5	-174.3	-66.7	-87.7	0	0	0	117.4
529	Q	23.8	Very low	25.8	Very low	197 Å²	197	177.6 Å²	177.6	92%	0.921	85%	0.853	S	S	*	*			trans	-123.7	108.1	135.4	-74.2	-162.6	11.4	0	0	110.7
530	S	25.2	Very low	26	Very low	103 Å²	103	182.4 Å²	182.4	72%	0.72	86%	0.86	S	S	*	*			trans	148.8	103.4	143.8	-172.2	0	0	0	0	112.5
531	T	28	Very low	25.9	Very low	131 Å²	131	178.4 Å²	178.4	80%	0.804	86%	0.856	S	S	*	*			trans	-137.5	76.9	146	39.2	0	0	0	0	108.5	Y533	T531-Y533 PolarHBondContact O-N 3.43Å; T531-Y533 VanDerWaalsContact O-N 3.15Å
532	S	26.1	Very low	26	Very low	99 Å²	99	173.9 Å²	173.9	69%	0.692	85%	0.849	S	S	*	*			trans	-66.6	109.7	172.1	55.2	0	0	0	0	110.4
533	Y	27.4	Very low	26.1	Very low	227 Å²	227	169.6 Å²	169.6	89%	0.89	85%	0.845	S	S	*	*			trans	-84	120.7	162.8	-95.3	-85	0	0	0	109.7	T531 R535	T531-Y533 PolarHBondContact O-N 3.43Å; T531-Y533 VanDerWaalsContact O-N 3.15Å; Y533-R535 PolarHBondContact O-N 2.62Å
534	D	24.6	Very low	26.3	Very low	160 Å²	160	167.4 Å²	167.4	86%	0.856	84%	0.835	S	S	*	*			trans	-60.8	122.4	-173.2	-86.3	-61	0	0	0	113.9
535	R	24.6	Very low	26.3	Very low	243 Å²	243	165.8 Å²	165.8	92%	0.917	83%	0.831	S	S	*	*			trans	-152.1	63.8	159	-161	-171	-74.5	-159.2	-1	113.1	Y533	Y533-R535 PolarHBondContact O-N 2.62Å
536	K	27.6	Very low	26.5	Very low	202 Å²	202	164.9 Å²	164.9	88%	0.878	83%	0.832	S	S	*	*			trans	-145	90.2	166.3	-104.6	174	-176.1	175	0	112.4
537	K	29.9	Very low	26.6	Very low	206 Å²	206	163 Å²	163	90%	0.896	83%	0.829	S	S	*	*			trans	-150.8	47.7	162.4	-136.6	178.7	-170.2	178.8	0	116
538	L	28.7	Very low	26.9	Very low	180 Å²	180	162.9 Å²	162.9	94%	0.942	83%	0.828	S	S	*	*	S	Bend	trans	-146.4	141.4	140.5	-146.9	72.3	0	0	0	107.3
539	G	27.2	Very low	27.2	Very low	68 Å²	68	159.3 Å²	159.3	70%	0.701	82%	0.822	S	S	*	*			trans	-143.1	151.4	-174.2	0	0	0	0	0	112.6
540	K	31.1	Very low	27.6	Very low	208 Å²	208	153.8 Å²	153.8	90%	0.904	82%	0.818	S	S	*	*			trans	-156.8	150.1	135	-107.1	167.1	-175.8	-177.9	0	108.6
541	S	24.6	Very low	28	Very low	107 Å²	107	156.5 Å²	156.5	75%	0.748	82%	0.819	S	S	*	*			trans	-70.1	145.7	170.4	49.3	0	0	0	0	110.7
542	N	28	Very low	28.6	Very low	152 Å²	152	155.1 Å²	155.1	81%	0.813	82%	0.815	S	S	*	*				-157	146	128.5	-96.9	-4.7	0	0	0	108.4
543	S	24.6	Very low	29.6	Very low	114 Å²	114	155.7 Å²	155.7	80%	0.797	81%	0.809	S	S	*	*			trans	-100.3	123.2	173.9	49.8	0	0	0	0	109.6
544	I	29	Very low	30.8	Very low	136 Å²	136	151.4 Å²	151.4	70%	0.697	80%	0.802	S	S	*	*			trans	-142	156.1	162.2	-78.5	104.8	0	0	0	105.6
545	E	25.7	Very low	32.7	Very low	162 Å²	162	145.7 Å²	145.7	76%	0.757	77%	0.771	S	S	*	*			trans	-63	129.8	-176.6	-62.1	87.7	166.6	0	0	113.3	D547	E545-D547 PolarHBondContact O-N 2.73Å
546	D	28	Very low	34.8	Very low	178 Å²	178	135.9 Å²	135.9	95%	0.952	74%	0.739	S	S	*	*			trans	-81.1	65.3	170.3	-79.3	-44.1	0	0	0	110.5
547	D	26	Very low	36.7	Very low	154 Å²	154	129.2 Å²	129.2	82%	0.824	72%	0.717	S	S	*	*			trans	-114.5	59.9	175.6	-139.4	-1.8	0	0	0	110.3	E545	E545-D547 PolarHBondContact O-N 2.73Å
548	E	29.9	Very low	38.7	Very low	175 Å²	175	120.1 Å²	120.1	82%	0.818	68%	0.678	S	S	*	*	S	Bend	trans	-150	119.5	168.5	-134.2	170.9	-148.5	0	0	114.4
549	I	31.4	Very low	41.1	Very low	144 Å²	144	113.4 Å²	113.4	74%	0.738	64%	0.642	S	S	*	*			trans	34.4	96.8	149.5	-52.3	170.2	0	0	0	116	E551	I549-E551 PolarHBondContact O-N 3.4Å
550	G	31.8	Very low	43.9	Very low	80 Å²	80	110.6 Å²	110.6	83%	0.825	61%	0.61	S	S	*	*			trans	-61.3	99.8	158.5	0	0	0	0	0	110.4	S552	G550-S552 PolarHBondContact O-N 3.31Å
551	E	34.2	Very low	46.7	Very low	161 Å²	161	102.2 Å²	102.2	75%	0.752	57%	0.573	S	S	*	*			trans	-50.9	120.5	-175.3	-170.9	177.3	-137.7	0	0	111	I549 L553	I549-E551 PolarHBondContact O-N 3.4Å; E551-L553 PolarHBondContact O-N 3.32Å
552	S	40.4	Very low	50.1	Low	102 Å²	102	97.1 Å²	97.1	71%	0.713	54%	0.537	S	S	*	.			trans	-73	75.6	179.4	179.7	0	0	0	0	110.3	G550 D554	G550-S552 PolarHBondContact O-N 3.31Å; S552-D554 PolarHBondContact O-N 3.08Å
553	L	47.9	Very low	53.4	Low	110 Å²	110	90 Å²	90	58%	0.576	50%	0.499	S	S	*	.			trans	-49.6	111.3	166	-84.3	159.8	0	0	0	108.9	Y452 E551 L555	Y452-L553 HydrophobicContact CD1-CD2 4.23Å; E551-L553 PolarHBondContact O-N 3.32Å; L553-L555 VanDerWaalsContact C-N 3.32Å; L553-L555 PolarHBondContact O-N 3.04Å
554	D	52.6	Low	56.9	Low	137 Å²	137	84.7 Å²	84.7	73%	0.733	46%	0.462	S	S	*	.			trans	-64.4	92	-179.5	-82.4	-40.5	0	0	0	110.7	Y452 S552 C556	Y452-D554 PolarHBondContact OH-O 3.34Å; S552-D554 PolarHBondContact O-N 3.08Å; D554-C556 VanDerWaalsContact C-N 3.25Å; D554-C556 PolarHBondContact O-N 3.33Å
555	L	63.1	Low	60	Low	40 Å²	40	79.1 Å²	79.1	21%	0.209	43%	0.434	C	S	.	.			trans	-72.7	81.4	174	-68.9	178.7	0	0	0	108.8	P408 E409 I412 L553 P557 Y560	P408-L555 HydrophobicContact CB-CD1 3.55Å; E409-L555 HydrophobicContact CG-CD1 4.3Å; I412-L555 HydrophobicContact CD1-CB 3.78Å; I412-L555 HydrophobicContact CD1-CD1 4.24Å; L553-L555 VanDerWaalsContact C-N 3.32Å; L553-L555 PolarHBondContact O-N 3.04Å; L555-P557 WeakPolarHBondContact O-CD 3.18Å; L555-Y560 HydrophobicContact CD2-CE2 3.9Å
556	C	68.6	Low	63.1	Low	37 Å²	37	73.9 Å²	73.9	25%	0.25	41%	0.411	C	S	.	.			trans	-44.6	110.8	168.1	171.8	0	0	0	0	109.5	D554 D558 H559	D554-C556 VanDerWaalsContact C-N 3.25Å; D554-C556 PolarHBondContact O-N 3.33Å; C556-D558 PolarHBondContact O-N 2.97Å; C556-H559 WeakPolarHBondContact O-CB 3.35Å; C556-H559 PolarHBondContact O-N 3.43Å
557	P	68	Low	66.1	Low	62 Å²	62	65.5 Å²	65.5	40%	0.403	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-62.5	-24.1	-169.9	-28.2	37.3	0	0	0	113.4	I412 L555 H559 Y560 R561	I412-P557 HydrophobicContact CG2-CB 3.89Å; L555-P557 WeakPolarHBondContact O-CD 3.18Å; P557-H559 VanDerWaalsContact C-N 3.32Å; P557-H559 PolarHBondContact O-N 3.16Å; P557-Y560 CarbonylContact O-C 3.6Å; P557-Y560 VanDerWaalsContact O-C 3.3Å; P557-Y560 WeakPolarHBondContact O-CA 3.31Å; P557-Y560 PolarHBondContact O-N 3.43Å; P557-R561 PolarHBondContact O-N 3.23Å
558	D	72.4	Confident	68.8	Low	15 Å²	15	59 Å²	59	8%	0.08	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-68	-26.9	178.5	-93.3	37.5	0	0	0	113.8	Y443 C556 Y560 R561 L861	Y443-D558 VanDerWaalsContact CD2-O 3.24Å; Y443-D558 WeakPolarHBondContact CD2-O 3.39Å; Y443-D558 WeakPolarHBondContact CE2-O 3.45Å; C556-D558 PolarHBondContact O-N 2.97Å; D558-Y560 PolarHBondContact O-N 2.84Å; D558-R561 WeakPolarHBondContact O-CB 3.2Å; D558-R561 PolarHBondContact O-N 2.92Å; D558-R561 IonicContact OD1-CZ 3.17Å; D558-R561 IonicContact OD1-NE 3.87Å; D558-R561 PolarHBondContact OD1-NE 3.26Å; D558-R561 IonicContact OD1-NH1 3.8Å; D558-R561 IonicContact OD1-NH2 3.84Å; D558-R561 PolarHBondContact OD1-NH2 2.87Å; D558-R561 IonicContact OD2-CZ 2.68Å; D558-R561 IonicContact OD2-NE 3.57Å; D558-R561 IonicContact OD2-NH1 2.87Å; D558-R561 PolarHBondContact OD2-NH1 2.9Å; D558-R561 IonicContact OD2-NH2 3.34Å; D558-R561 PolarHBondContact OD2-NH2 2.73Å; D558-L861 HydrophobicContact CB-CD1 3.85Å; D558-L861 HydrophobicContact CB-CD2 4.44Å
559	H	78.5	Confident	71.3	Confident	40 Å²	40	54.6 Å²	54.6	19%	0.185	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62	-27.4	169.1	-70.9	154	0	0	0	112.4	T448 Y452 C556 P557	T448-H559 HydrophobicContact CG2-CB 3.77Å; Y452-H559 AromaticContact CE2-ND1 3.86Å; Y452-H559 PolarHBondContact OH-ND1 2.97Å; C556-H559 WeakPolarHBondContact O-CB 3.35Å; C556-H559 PolarHBondContact O-N 3.43Å; P557-H559 VanDerWaalsContact C-N 3.32Å; P557-H559 PolarHBondContact O-N 3.16Å
560	Y	85.4	Confident	74	Confident	9 Å²	9	47.9 Å²	47.9	4%	0.035	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-107.5	19.9	179.2	-59.9	-87.4	0	0	0	111.7	E409 V413 Q416 F445 L555 P557 D558 V562	E409-Y560 HydrophobicContact CB-CD1 4.22Å; E409-Y560 HydrophobicContact CB-CE1 3.96Å; E409-Y560 HydrophobicContact CG-CD1 4.28Å; E409-Y560 HydrophobicContact CG-CE1 3.55Å; E409-Y560 VanDerWaalsContact OE1-CE1 3.25Å; E409-Y560 WeakPolarHBondContact OE1-CE1 3.23Å; E409-Y560 PolarHBondContact OE1-OH 2.99Å; V413-Y560 HydrophobicContact CG2-CD1 4.47Å; Q416-Y560 PolarHBondContact NE2-O 3.48Å; F445-Y560 AromaticContact CE2-CE1 3.87Å; F445-Y560 HydrophobicContact CE2-CE1 3.87Å; L555-Y560 HydrophobicContact CD2-CE2 3.9Å; P557-Y560 CarbonylContact O-C 3.6Å; P557-Y560 VanDerWaalsContact O-C 3.3Å; P557-Y560 WeakPolarHBondContact O-CA 3.31Å; P557-Y560 PolarHBondContact O-N 3.43Å; D558-Y560 PolarHBondContact O-N 2.84Å; Y560-V562 PolarHBondContact O-N 3.06Å
561	R	90.9	Very high	76.8	Confident	31 Å²	31	46.5 Å²	46.5	12%	0.117	25%	0.251	C	S	.	.			trans	-73.5	116.7	-179.4	175.1	-178.2	-77.3	166.1	-0.8	111.6	Q416 T442 P557 D558	Q416-R561 VanDerWaalsContact OE1-CA 3.25Å; T442-R561 WeakPolarHBondContact CB-O 3.5Å; T442-R561 HydrophobicContact CG2-CG 4.05Å; T442-R561 PolarHBondContact N-O 3.33Å; T442-R561 WeakPolarHBondContact OG1-CB 3.21Å; T442-R561 PolarHBondContact OG1-O 3.29Å; P557-R561 PolarHBondContact O-N 3.23Å; D558-R561 WeakPolarHBondContact O-CB 3.2Å; D558-R561 PolarHBondContact O-N 2.92Å; D558-R561 IonicContact OD1-CZ 3.17Å; D558-R561 IonicContact OD1-NE 3.87Å; D558-R561 PolarHBondContact OD1-NE 3.26Å; D558-R561 IonicContact OD1-NH1 3.8Å; D558-R561 IonicContact OD1-NH2 3.84Å; D558-R561 PolarHBondContact OD1-NH2 2.87Å; D558-R561 IonicContact OD2-CZ 2.68Å; D558-R561 IonicContact OD2-NE 3.57Å; D558-R561 IonicContact OD2-NH1 2.87Å; D558-R561 PolarHBondContact OD2-NH1 2.9Å; D558-R561 IonicContact OD2-NH2 3.34Å; D558-R561 PolarHBondContact OD2-NH2 2.73Å
562	V	95.7	Very high	79.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	161.2	-176.6	-69.7	0	0	0	0	113.6	N369 V413 Q416 L417 I439 L440 F441 Y560	N369-V562 WeakPolarHBondContact CA-O 3.48Å; N369-V562 WeakPolarHBondContact CB-O 3.31Å; N369-V562 PolarHBondContact ND2-O 3.34Å; V413-V562 HydrophobicContact CG1-CG1 3.89Å; V413-V562 HydrophobicContact CG1-CG2 4.09Å; V413-V562 HydrophobicContact CG2-CG1 4.38Å; Q416-V562 HydrophobicContact CB-CG2 3.9Å; L417-V562 HydrophobicContact CD2-CG2 4.15Å; L417-V562 HydrophobicContact CG-CG2 4.3Å; I439-V562 HydrophobicContact CG2-CB 3.96Å; I439-V562 HydrophobicContact CG2-CG1 3.99Å; L440-V562 CarbonylContact O-C 3.25Å; L440-V562 VanDerWaalsContact O-CA 3.25Å; L440-V562 WeakPolarHBondContact O-CA 3.47Å; F441-V562 HydrophobicContact CD1-CG1 3.63Å; F441-V562 HydrophobicContact CD2-CG1 4.42Å; F441-V562 HydrophobicContact CE1-CG1 3.48Å; F441-V562 VanDerWaalsContact CE1-CG1 3.48Å; F441-V562 HydrophobicContact CE2-CG1 4.3Å; F441-V562 HydrophobicContact CG-CG1 4.11Å; F441-V562 HydrophobicContact CZ-CG1 3.85Å; Y560-V562 PolarHBondContact O-N 3.06Å
563	K	96.6	Very high	81.8	Confident	4 Å²	4	38.9 Å²	38.9	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.4	171.9	-79.3	167.7	176.2	-84.2	0	111.6	P368 N369 I370 E388 V390 L440 T442	P368-K563 VanDerWaalsContact O-CE 3.24Å; P368-K563 WeakPolarHBondContact O-CE 3.49Å; P368-K563 PolarHBondContact O-NZ 3.19Å; N369-K563 WeakPolarHBondContact O-CA 3.32Å; I370-K563 PolarHBondContact O-NZ 2.87Å; E388-K563 VanDerWaalsContact CD-CE 3.45Å; E388-K563 WeakPolarHBondContact OE1-CE 3.34Å; E388-K563 IonicContact OE1-NZ 2.63Å; E388-K563 PolarHBondContact OE1-NZ 3.08Å; E388-K563 WeakPolarHBondContact OE2-CE 3.5Å; E388-K563 IonicContact OE2-NZ 2.98Å; E388-K563 PolarHBondContact OE2-NZ 2.92Å; V390-K563 HydrophobicContact CG1-CD 4.47Å; V390-K563 HydrophobicContact CG2-CD 3.63Å; L440-K563 PolarHBondContact N-O 3.12Å; L440-K563 PolarHBondContact O-N 3.24Å; T442-K563 HydrophobicContact CG2-CD 3.95Å; T442-K563 HydrophobicContact CG2-CG 4.39Å
564	L	97.8	Very high	83.6	Confident	2 Å²	2	42 Å²	42	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.9	168.9	-175.2	65	0	0	0	110	N369 I371 V421 L424 N438 I439 F567	N369-L564 PolarHBondContact O-N 2.97Å; I371-L564 PolarHBondContact N-O 3.37Å; I371-L564 VanDerWaalsContact N-O 3.07Å; V421-L564 HydrophobicContact CG2-CD2 4.44Å; L424-L564 HydrophobicContact CD1-CD2 4.02Å; N438-L564 WeakPolarHBondContact O-CA 3.23Å; I439-L564 HydrophobicContact CG1-CD1 4.35Å; L564-F567 HydrophobicContact CD2-CZ 4.26Å; L564-F567 HydrophobicContact CG-CZ 4.37Å
565	V	95	Very high	85.1	Confident	18 Å²	18	41.7 Å²	41.7	11%	0.109	21%	0.21	C	C	.	.			trans	-134.4	169.4	-174.8	-44.5	0	0	0	0	112.9	I371 N438 L440	I371-V565 HydrophobicContact CB-CB 4.43Å; I371-V565 HydrophobicContact CB-CG1 4.03Å; I371-V565 HydrophobicContact CD1-CG1 4.11Å; I371-V565 HydrophobicContact CG1-CG1 4.24Å; I371-V565 HydrophobicContact CG2-CB 4.47Å; N438-V565 HydrophobicContact CB-CG2 4.39Å; N438-V565 WeakPolarHBondContact CB-O 3.47Å; N438-V565 PolarHBondContact O-N 2.95Å; L440-V565 HydrophobicContact CB-CG1 4.39Å; L440-V565 HydrophobicContact CD1-CG1 3.75Å; L440-V565 HydrophobicContact CD1-CG2 4.35Å; L440-V565 HydrophobicContact CG-CG1 3.75Å; L440-V565 HydrophobicContact CG-CG2 4.13Å
566	D	89.8	Confident	85.9	Confident	53 Å²	53	43.6 Å²	43.6	28%	0.283	23%	0.227	S	C	.	.			trans	63.3	75.4	175.4	-154.7	28.2	0	0	0	116.2	K340 G568	K340-D566 IonicContact NZ-OD1 2.71Å; K340-D566 PolarHBondContact NZ-OD1 2.88Å; D566-G568 PolarHBondContact O-N 3.4Å
567	F	91	Very high	86.6	Confident	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-81.9	14	-177.3	-74.3	-102.6	0	0	0	113.7	E358 I361 L362 L365 I370 I371 L424 H431 L564 F569 S570	E358-F567 HydrophobicContact CG-CB 4.1Å; I361-F567 HydrophobicContact CG2-CB 4.46Å; I361-F567 HydrophobicContact CG2-CD1 3.75Å; I361-F567 HydrophobicContact CG2-CE1 4.47Å; I361-F567 HydrophobicContact CG2-CG 4.41Å; L362-F567 HydrophobicContact CD2-CB 4.23Å; L362-F567 HydrophobicContact CD2-CD2 3.63Å; L362-F567 HydrophobicContact CD2-CE2 4.22Å; L362-F567 HydrophobicContact CD2-CG 3.93Å; L362-F567 HydrophobicContact CG-CB 4.27Å; L362-F567 HydrophobicContact CG-CG 4.47Å; L365-F567 HydrophobicContact CD1-CD1 3.89Å; L365-F567 HydrophobicContact CD1-CE1 3.42Å; L365-F567 VanDerWaalsContact CD1-CE1 3.42Å; L365-F567 HydrophobicContact CD1-CZ 3.87Å; I370-F567 HydrophobicContact CG2-CE2 3.85Å; I370-F567 HydrophobicContact CG2-CZ 3.65Å; I371-F567 HydrophobicContact CG2-CD2 4.26Å; I371-F567 HydrophobicContact CG2-CE2 4.12Å; L424-F567 HydrophobicContact CD1-CE1 3.94Å; L424-F567 HydrophobicContact CD1-CZ 4.41Å; L424-F567 HydrophobicContact CD2-CE1 3.73Å; L424-F567 HydrophobicContact CD2-CZ 4.26Å; H431-F567 AromaticContact CD2-CD1 3.79Å; H431-F567 AromaticContact CD2-CE1 3.56Å; H431-F567 AromaticContact CD2-CZ 3.85Å; L564-F567 HydrophobicContact CD2-CZ 4.26Å; L564-F567 HydrophobicContact CG-CZ 4.37Å; F567-F569 PolarHBondContact O-N 2.97Å; F567-F569 VanDerWaalsContact O-N 3.14Å; F567-S570 WeakPolarHBondContact CA-OG 3.39Å; F567-S570 VanDerWaalsContact CD1-OG 3.28Å; F567-S570 WeakPolarHBondContact CD1-OG 3.22Å; F567-S570 WeakPolarHBondContact O-CB 3.19Å; F567-S570 PolarHBondContact O-N 2.97Å; F567-S570 PolarHBondContact O-OG 3.09Å
568	G	83.4	Confident	87.6	Confident	19 Å²	19	46.5 Å²	46.5	20%	0.196	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-64	-17.4	-176.1	0	0	0	0	0	115.3	D566	D566-G568 PolarHBondContact O-N 3.4Å
569	F	82.7	Confident	88.3	Confident	81 Å²	81	50.5 Å²	50.5	36%	0.355	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-105.4	-4	171	-63.9	-68.3	0	0	0	113.6	H431 R432 D433 F567 C584	H431-F569 CarbonylContact O-C 3.58Å; R432-F569 PolarHBondContact NE-O 3.33Å; R432-F569 PolarHBondContact NH2-O 3.32Å; D433-F569 HydrophobicContact CB-CB 4.16Å; D433-F569 HydrophobicContact CB-CD2 3.72Å; D433-F569 HydrophobicContact CB-CG 4.3Å; F567-F569 PolarHBondContact O-N 2.97Å; F567-F569 VanDerWaalsContact O-N 3.14Å; F569-C584 HydrophobicContact CB-CB 4.21Å; F569-C584 HydrophobicContact CD1-CB 3.74Å; F569-C584 HydrophobicContact CE1-CB 4.48Å; F569-C584 HydrophobicContact CG-CB 4.21Å
570	S	88.6	Confident	88.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	24%	0.244	C	C	.	.			trans	-70.3	154.1	-176.5	-56.3	0	0	0	0	112.1	V430 H431 F567	V430-S570 CarbonylContact O-C 3.47Å; V430-S570 WeakPolarHBondContact O-CA 3.37Å; V430-S570 WeakPolarHBondContact O-CB 3.44Å; H431-S570 WeakPolarHBondContact CA-OG 3.39Å; H431-S570 PolarHBondContact CD2-OG 2.83Å; H431-S570 WeakPolarHBondContact O-CA 3.42Å; H431-S570 PolarHBondContact O-N 2.96Å; H431-S570 PolarHBondContact O-OG 2.9Å; H431-S570 VanDerWaalsContact O-OG 3.12Å; F567-S570 WeakPolarHBondContact CA-OG 3.39Å; F567-S570 VanDerWaalsContact CD1-OG 3.28Å; F567-S570 WeakPolarHBondContact CD1-OG 3.22Å; F567-S570 WeakPolarHBondContact O-CB 3.19Å; F567-S570 PolarHBondContact O-N 2.97Å; F567-S570 PolarHBondContact O-OG 3.09Å
571	K	90	Very high	88.9	Confident	51 Å²	51	52.7 Å²	52.7	22%	0.222	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	134	-176.6	-178.8	164.8	177.9	179	0	111.4	V430 I573 L580	V430-K571 HydrophobicContact CG2-CB 4.26Å; V430-K571 WeakPolarHBondContact CG2-O 3.47Å; V430-K571 PolarHBondContact N-O 2.79Å; V430-K571 PolarHBondContact O-N 2.93Å; K571-I573 HydrophobicContact CG-CG2 4.42Å; K571-L580 HydrophobicContact CD-CD2 3.78Å
572	L	88.7	Confident	88.6	Confident	94 Å²	94	54.4 Å²	54.4	49%	0.492	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.2	163.9	-174.2	71.3	0	0	0	108.6	R427 N428 I429	R427-L572 WeakPolarHBondContact O-CD1 3.44Å; N428-L572 CarbonylContact O-C 3.42Å; N428-L572 WeakPolarHBondContact O-CA 3.47Å; I429-L572 HydrophobicContact CG1-CD1 3.83Å
573	I	90.5	Very high	88	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.051	31%	0.306	C	S	.	.			trans	-108.8	158	172.2	65	-175	0	0	0	110	N428 V430 K571 E575 Q578 L580	N428-I573 HydrophobicContact CB-CG1 3.84Å; N428-I573 WeakPolarHBondContact CB-O 3.31Å; N428-I573 WeakPolarHBondContact O-CG1 3.41Å; N428-I573 PolarHBondContact O-N 3.36Å; V430-I573 HydrophobicContact CG1-CD1 4.04Å; V430-I573 HydrophobicContact CG2-CG2 4.26Å; K571-I573 HydrophobicContact CG-CG2 4.42Å; I573-E575 VanDerWaalsContact CD1-O 3.22Å; I573-E575 WeakPolarHBondContact CD1-O 3.37Å; I573-E575 WeakPolarHBondContact CG1-O 3.38Å; I573-Q578 VanDerWaalsContact CA-OE1 3.3Å; I573-Q578 HydrophobicContact CB-CB 4.02Å; I573-Q578 HydrophobicContact CB-CG 4.5Å; I573-Q578 HydrophobicContact CG2-CB 4.45Å; I573-L580 HydrophobicContact CG2-CD1 4.17Å; I573-L580 HydrophobicContact CG2-CD2 3.91Å; I573-L580 HydrophobicContact CG2-CG 4.39Å
574	K	85.8	Confident	87.3	Confident	174 Å²	174	60.7 Å²	60.7	76%	0.757	32%	0.315	S	S	*	.	S	Bend	trans	-74.3	-40.8	177.1	-67.7	-172.5	174.6	-171.4	0	111.6	N428	N428-K574 PolarHBondContact ND2-O 2.94Å
575	E	84.5	Confident	86.6	Confident	131 Å²	131	62.1 Å²	62.1	61%	0.612	33%	0.33	S	S	*	.	S	Bend	trans	-142.2	149	-171.2	-69	157.3	-134.1	0	0	108.9	I573 N577 Q578	I573-E575 VanDerWaalsContact CD1-O 3.22Å; I573-E575 WeakPolarHBondContact CD1-O 3.37Å; I573-E575 WeakPolarHBondContact CG1-O 3.38Å; E575-N577 PolarHBondContact O-N 3.25Å; E575-Q578 VanDerWaalsContact O-CB 3.24Å; E575-Q578 WeakPolarHBondContact O-CB 3.16Å; E575-Q578 PolarHBondContact O-N 2.82Å
576	S	79.4	Confident	86.4	Confident	81 Å²	81	62.8 Å²	62.8	57%	0.566	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.4	-179.5	55.2	0	0	0	0	114.1
577	N	83.6	Confident	86.5	Confident	99 Å²	99	61.9 Å²	61.9	53%	0.529	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.2	177.5	-77.4	-35.9	0	0	0	114.2	E575 Q579 R601	E575-N577 PolarHBondContact O-N 3.25Å; N577-Q579 PolarHBondContact O-N 3.36Å; N577-R601 WeakPolarHBondContact OD1-CD 3.46Å
578	Q	88.7	Confident	86.7	Confident	60 Å²	60	62.9 Å²	62.9	28%	0.28	34%	0.341	S	S	.	.			trans	-59.1	125.2	-178.6	-179.1	175.2	-3	0	0	111.7	I573 E575	I573-Q578 VanDerWaalsContact CA-OE1 3.3Å; I573-Q578 HydrophobicContact CB-CB 4.02Å; I573-Q578 HydrophobicContact CB-CG 4.5Å; I573-Q578 HydrophobicContact CG2-CB 4.45Å; E575-Q578 VanDerWaalsContact O-CB 3.24Å; E575-Q578 WeakPolarHBondContact O-CB 3.16Å; E575-Q578 PolarHBondContact O-N 2.82Å
579	Q	88.2	Confident	87.3	Confident	99 Å²	99	62.6 Å²	62.6	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	133.5	172.8	-67.6	-66.4	-22.8	0	0	111.6	N577 S599	N577-Q579 PolarHBondContact O-N 3.36Å; Q579-S599 PolarHBondContact OE1-OG 2.7Å
580	L	88.9	Confident	87.9	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.1	-179.6	-62.8	-178.3	0	0	0	110.2	V430 K571 I573 S599 Y600	V430-L580 HydrophobicContact CG2-CD1 3.95Å; K571-L580 HydrophobicContact CD-CD2 3.78Å; I573-L580 HydrophobicContact CG2-CD1 4.17Å; I573-L580 HydrophobicContact CG2-CD2 3.91Å; I573-L580 HydrophobicContact CG2-CG 4.39Å; L580-S599 CarbonylContact O-C 3.48Å; L580-S599 WeakPolarHBondContact O-CA 3.4Å; L580-S599 WeakPolarHBondContact O-CB 3.33Å; L580-Y600 HydrophobicContact CB-CD1 4.29Å; L580-Y600 HydrophobicContact CB-CD2 4.3Å; L580-Y600 HydrophobicContact CB-CE1 3.9Å; L580-Y600 HydrophobicContact CB-CE2 3.95Å; L580-Y600 HydrophobicContact CB-CG 4.48Å; L580-Y600 WeakPolarHBondContact CB-O 3.27Å; L580-Y600 HydrophobicContact CD1-CE2 4Å; L580-Y600 PolarHBondContact N-O 2.95Å; L580-Y600 WeakPolarHBondContact O-CD1 3.49Å; L580-Y600 VanDerWaalsContact O-CE1 3.28Å; L580-Y600 WeakPolarHBondContact O-CE1 3.35Å; L580-Y600 PolarHBondContact O-N 2.72Å
581	T	87.7	Confident	88.3	Confident	94 Å²	94	59.1 Å²	59.1	58%	0.577	32%	0.32	S	S	*	.			trans	-109	-9.4	-175.8	55.2	0	0	0	0	114.1	F583	T581-F583 PolarHBondContact O-N 3.45Å
582	T	83.6	Confident	88.5	Confident	67 Å²	67	56.7 Å²	56.7	41%	0.411	31%	0.31	S	S	.	.			trans	-94	99.7	-174.6	-40.2	0	0	0	0	111	R432 C584 Y600	R432-T582 PolarHBondContact NH1-O 2.74Å; T582-C584 PolarHBondContact O-N 2.85Å; T582-Y600 PolarHBondContact O-OH 2.88Å
583	F	82.7	Confident	88.8	Confident	106 Å²	106	52.9 Å²	52.9	47%	0.465	29%	0.289	S	S	.	.			trans	-62.3	126.9	173.9	-49.6	-76.6	0	0	0	110.7	T581 L594 S597 Y600	T581-F583 PolarHBondContact O-N 3.45Å; F583-L594 HydrophobicContact CD1-CB 4.28Å; F583-L594 HydrophobicContact CD1-CD2 4.18Å; F583-L594 WeakPolarHBondContact CD1-O 3.3Å; F583-L594 WeakPolarHBondContact CE1-O 3.34Å; F583-S597 WeakPolarHBondContact CE1-O 3.2Å; F583-S597 VanDerWaalsContact CZ-O 3.23Å; F583-S597 WeakPolarHBondContact CZ-O 3.34Å; F583-Y600 HydrophobicContact CD1-CE1 4.46Å; F583-Y600 HydrophobicContact CE1-CD1 4.47Å
584	C	82.7	Confident	89	Confident	30 Å²	30	53.2 Å²	53.2	20%	0.203	29%	0.291	C	S	.	.			trans	-147.7	164.1	-178.7	-66.9	0	0	0	0	108	F569 T582	F569-C584 HydrophobicContact CB-CB 4.21Å; F569-C584 HydrophobicContact CD1-CB 3.74Å; F569-C584 HydrophobicContact CE1-CB 4.48Å; F569-C584 HydrophobicContact CG-CB 4.21Å; T582-C584 PolarHBondContact O-N 2.85Å
585	G	83.6	Confident	89.2	Confident	31 Å²	31	46.5 Å²	46.5	32%	0.32	26%	0.262	S	S	.	.	S	Bend	trans	98.5	174.7	177	0	0	0	0	0	114.5	R432 D433	R432-G585 VanDerWaalsContact O-CA 3.31Å; R432-G585 WeakPolarHBondContact O-CA 3.3Å; D433-G585 VanDerWaalsContact OD1-CA 3.31Å; D433-G585 WeakPolarHBondContact OD1-CA 3.32Å
586	S	90.7	Very high	89.5	Confident	32 Å²	32	45 Å²	45	22%	0.224	26%	0.255	C	S	.	.			trans	-90.9	122.8	-169.1	-56.9	0	0	0	0	111.7	D433 K435 A588 Y589 A590	D433-S586 WeakPolarHBondContact OD1-CB 3.23Å; D433-S586 PolarHBondContact OD1-N 2.86Å; D433-S586 PolarHBondContact OD1-OG 2.89Å; K435-S586 WeakPolarHBondContact CD-OG 3.26Å; K435-S586 PolarHBondContact NZ-OG 3.33Å; S586-A588 VanDerWaalsContact C-N 3.33Å; S586-A588 PolarHBondContact O-N 2.72Å; S586-Y589 PolarHBondContact O-N 2.83Å; S586-A590 PolarHBondContact O-N 3.18Å
587	P	92.5	Very high	89.6	Confident	35 Å²	35	43.6 Å²	43.6	23%	0.227	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31.9	-164.6	-32	36.1	0	0	0	117.9	M244 Y589 A590 V629	M244-P587 HydrophobicContact CE-CG 4.19Å; P587-Y589 PolarHBondContact O-N 3.24Å; P587-A590 WeakPolarHBondContact O-CB 3.48Å; P587-A590 PolarHBondContact O-N 2.96Å; P587-V629 HydrophobicContact CB-CG1 4.03Å; P587-V629 HydrophobicContact CB-CG2 3.95Å; P587-V629 HydrophobicContact CG-CG1 4.17Å; P587-V629 HydrophobicContact CG-CG2 3.78Å
588	A	94	Very high	89.5	Confident	21 Å²	21	48 Å²	48	17%	0.174	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-72.3	-13.5	177.9	0	0	0	0	0	114	S586 L622	S586-A588 VanDerWaalsContact C-N 3.33Å; S586-A588 PolarHBondContact O-N 2.72Å; A588-L622 HydrophobicContact CB-CD1 4.07Å
589	Y	96.9	Very high	89.5	Confident	14 Å²	14	47.1 Å²	47.1	6%	0.055	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-107.7	1.2	176.3	-58.2	-95.7	0	0	0	112.2	K435 A436 S586 P587 I612 V613 L622	K435-Y589 HydrophobicContact CB-CD1 4.02Å; K435-Y589 HydrophobicContact CB-CD2 3.71Å; K435-Y589 HydrophobicContact CB-CE1 3.83Å; K435-Y589 HydrophobicContact CB-CE2 3.49Å; K435-Y589 VanDerWaalsContact CB-CE2 3.49Å; K435-Y589 HydrophobicContact CB-CG 3.96Å; A436-Y589 WeakPolarHBondContact CB-OH 3.31Å; A436-Y589 PolarHBondContact N-OH 2.86Å; A436-Y589 VanDerWaalsContact N-OH 3.14Å; S586-Y589 PolarHBondContact O-N 2.83Å; P587-Y589 PolarHBondContact O-N 3.24Å; Y589-I612 HydrophobicContact CD1-CB 3.89Å; Y589-I612 HydrophobicContact CD1-CG2 3.49Å; Y589-I612 VanDerWaalsContact CD1-CG2 3.49Å; Y589-I612 HydrophobicContact CE1-CG2 3.85Å; Y589-I612 HydrophobicContact CG-CG2 4.17Å; Y589-V613 HydrophobicContact CD1-CG2 4.22Å; Y589-V613 HydrophobicContact CE1-CG2 3.91Å; Y589-L622 HydrophobicContact CE1-CD2 4.19Å
590	A	95.7	Very high	89.7	Confident	10 Å²	10	42.6 Å²	42.6	8%	0.083	24%	0.239	C	C	.	.			trans	-77.2	135.8	-175.6	0	0	0	0	0	111.9	S586 P587 L594 F595 W608	S586-A590 PolarHBondContact O-N 3.18Å; P587-A590 WeakPolarHBondContact O-CB 3.48Å; P587-A590 PolarHBondContact O-N 2.96Å; A590-L594 HydrophobicContact CB-CD1 3.87Å; A590-F595 HydrophobicContact CB-CE2 3.71Å; A590-F595 HydrophobicContact CB-CZ 3.72Å; A590-W608 PolarHBondContact O-NE1 3.24Å; A590-W608 VanDerWaalsContact O-NE1 3.08Å
591	A	95.9	Very high	89.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.248	C	C	.	.			trans	-76	153.1	176	0	0	0	0	0	111.8	E593 L594 V605 W608	A591-E593 VanDerWaalsContact CB-OE2 3.22Å; A591-E593 WeakPolarHBondContact CB-OE2 3.46Å; A591-E593 PolarHBondContact O-N 3.29Å; A591-L594 WeakPolarHBondContact O-CB 3.41Å; A591-L594 PolarHBondContact O-N 2.96Å; A591-V605 HydrophobicContact CB-CG1 4.41Å; A591-V605 HydrophobicContact CB-CG2 4.12Å; A591-W608 HydrophobicContact CB-CB 3.78Å; A591-W608 HydrophobicContact CB-CD2 3.96Å; A591-W608 HydrophobicContact CB-CG 3.56Å
592	P	95.3	Very high	90.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.9	-175.9	21.1	-33.4	0	0	0	113.6	L594 F595 E596 W608 V636 L637 R662	P592-L594 PolarHBondContact O-N 3.28Å; P592-F595 WeakPolarHBondContact O-CA 3.28Å; P592-F595 WeakPolarHBondContact O-CB 3.39Å; P592-F595 PolarHBondContact O-N 2.78Å; P592-E596 PolarHBondContact O-N 2.63Å; P592-W608 HydrophobicContact CG-CE3 4.45Å; P592-W608 HydrophobicContact CG-CH2 4.23Å; P592-W608 HydrophobicContact CG-CZ3 4.02Å; P592-V636 HydrophobicContact CB-CG1 4.07Å; P592-L637 HydrophobicContact CB-CD2 3.7Å; P592-R662 HydrophobicContact CB-CG 4.47Å; P592-R662 HydrophobicContact CG-CG 4.12Å
593	E	94.7	Very high	90.7	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.061	21%	0.207	C	C	.	.	H	α-helix	trans	-65.3	-21.8	177.6	67.2	-89.2	-148.9	0	0	113.8	A591 F595 S597 V605 P664 R667	A591-E593 VanDerWaalsContact CB-OE2 3.22Å; A591-E593 WeakPolarHBondContact CB-OE2 3.46Å; A591-E593 PolarHBondContact O-N 3.29Å; E593-F595 PolarHBondContact O-N 3.42Å; E593-S597 WeakPolarHBondContact O-CB 3.37Å; E593-S597 PolarHBondContact O-N 2.83Å; E593-S597 VanDerWaalsContact O-N 3.08Å; E593-V605 HydrophobicContact CG-CG2 4.08Å; E593-V605 VanDerWaalsContact OE1-CG2 3.28Å; E593-V605 WeakPolarHBondContact OE1-CG2 3.4Å; E593-P664 HydrophobicContact CG-CG 4.39Å; E593-R667 IonicContact OE1-CZ 3.63Å; E593-R667 IonicContact OE1-NH1 2.63Å; E593-R667 PolarHBondContact OE1-NH1 2.76Å; E593-R667 IonicContact OE1-NH2 2.72Å; E593-R667 PolarHBondContact OE1-NH2 3.34Å; E593-R667 IonicContact OE2-CZ 2.7Å; E593-R667 IonicContact OE2-NH1 2.74Å; E593-R667 PolarHBondContact OE2-NH1 2.94Å; E593-R667 IonicContact OE2-NH2 3.92Å; E593-R667 PolarHBondContact OE2-NH2 3.4Å
594	L	93.6	Very high	91.3	Very high	18 Å²	18	34 Å²	34	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-72.8	-11.1	171.2	-63.7	179.1	0	0	0	113	F583 A590 A591 P592 Y600 V605	F583-L594 HydrophobicContact CD1-CB 4.28Å; F583-L594 HydrophobicContact CD1-CD2 4.18Å; F583-L594 WeakPolarHBondContact CD1-O 3.3Å; F583-L594 WeakPolarHBondContact CE1-O 3.34Å; A590-L594 HydrophobicContact CB-CD1 3.87Å; A591-L594 WeakPolarHBondContact O-CB 3.41Å; A591-L594 PolarHBondContact O-N 2.96Å; P592-L594 PolarHBondContact O-N 3.28Å; L594-Y600 HydrophobicContact CD2-CD1 3.52Å; L594-Y600 HydrophobicContact CD2-CD2 3.8Å; L594-Y600 HydrophobicContact CD2-CE1 3.51Å; L594-Y600 HydrophobicContact CD2-CE2 3.75Å; L594-Y600 HydrophobicContact CD2-CG 3.68Å; L594-V605 HydrophobicContact CD1-CG1 3.78Å; L594-V605 HydrophobicContact CD2-CG1 4.47Å; L594-V605 HydrophobicContact CD2-CG2 4.29Å; L594-V605 HydrophobicContact CG-CG1 4.26Å; L594-V605 HydrophobicContact CG-CG2 4.29Å
595	F	91.2	Very high	92	Very high	32 Å²	32	32.9 Å²	32.9	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-108.8	-34.9	177.2	-63.9	-63.3	0	0	0	112.1	A590 P592 E593 V629 R633 V636 L637	A590-F595 HydrophobicContact CB-CE2 3.71Å; A590-F595 HydrophobicContact CB-CZ 3.72Å; P592-F595 WeakPolarHBondContact O-CA 3.28Å; P592-F595 WeakPolarHBondContact O-CB 3.39Å; P592-F595 PolarHBondContact O-N 2.78Å; E593-F595 PolarHBondContact O-N 3.42Å; F595-V629 HydrophobicContact CE1-CG1 4.48Å; F595-R633 HydrophobicContact CB-CG 4.06Å; F595-R633 HydrophobicContact CD1-CB 4.02Å; F595-R633 HydrophobicContact CD1-CG 3.83Å; F595-R633 HydrophobicContact CD2-CG 4.46Å; F595-R633 HydrophobicContact CE1-CB 4.02Å; F595-R633 HydrophobicContact CE1-CG 4.35Å; F595-R633 HydrophobicContact CG-CB 4.35Å; F595-R633 HydrophobicContact CG-CG 3.88Å; F595-R633 HydrophobicContact CZ-CB 4.35Å; F595-R633 PolarHBondContact O-NH1 3.02Å; F595-R633 PolarHBondContact O-NH2 3.45Å; F595-V636 HydrophobicContact CD2-CB 4.44Å; F595-V636 HydrophobicContact CD2-CG1 4.06Å; F595-V636 HydrophobicContact CE2-CB 4.18Å; F595-V636 HydrophobicContact CE2-CG1 4.04Å; F595-V636 HydrophobicContact CE2-CG2 4.35Å; F595-L637 HydrophobicContact CB-CD1 4.07Å; F595-L637 HydrophobicContact CB-CD2 4.02Å; F595-L637 HydrophobicContact CB-CG 4.22Å
596	E	89.2	Confident	92.7	Very high	99 Å²	99	31.4 Å²	31.4	46%	0.463	17%	0.17	S	C	.	.	H	α-helix	trans	-85.8	-45.8	-179.1	-73.9	169.9	156.2	0	0	113.8	P592 L637 R662	P592-E596 PolarHBondContact O-N 2.63Å; E596-L637 HydrophobicContact CG-CD1 4.15Å; E596-L637 HydrophobicContact CG-CD2 3.65Å; E596-R662 IonicContact OE1-CZ 2.95Å; E596-R662 IonicContact OE1-NE 3.95Å; E596-R662 IonicContact OE1-NH2 2.66Å; E596-R662 PolarHBondContact OE1-NH2 2.94Å
597	S	81.9	Confident	93.1	Very high	53 Å²	53	30.1 Å²	30.1	37%	0.371	16%	0.16	S	C	.	.			trans	-103.4	139.1	-159.8	-64.1	0	0	0	0	113.1	F583 E593 S599	F583-S597 WeakPolarHBondContact CE1-O 3.2Å; F583-S597 VanDerWaalsContact CZ-O 3.23Å; F583-S597 WeakPolarHBondContact CZ-O 3.34Å; E593-S597 WeakPolarHBondContact O-CB 3.37Å; E593-S597 PolarHBondContact O-N 2.83Å; E593-S597 VanDerWaalsContact O-N 3.08Å; S597-S599 WeakPolarHBondContact CB-O 3.49Å; S597-S599 PolarHBondContact O-N 2.88Å
598	K	81.2	Confident	93.3	Very high	191 Å²	191	28.5 Å²	28.5	83%	0.83	15%	0.149	S	C	*	.	S	Bend	trans	-62.9	-19.3	172.8	-67.3	-178	-178.3	175.7	0	113.1
599	S	89.9	Confident	93.5	Very high	41 Å²	41	27.7 Å²	27.7	29%	0.287	14%	0.143	S	C	.	.			trans	-145.2	159.1	169.7	71.5	0	0	0	0	113	Q579 L580 S597	Q579-S599 PolarHBondContact OE1-OG 2.7Å; L580-S599 CarbonylContact O-C 3.48Å; L580-S599 WeakPolarHBondContact O-CA 3.4Å; L580-S599 WeakPolarHBondContact O-CB 3.33Å; S597-S599 WeakPolarHBondContact CB-O 3.49Å; S597-S599 PolarHBondContact O-N 2.88Å
600	Y	91.9	Very high	93.6	Very high	5 Å²	5	27 Å²	27	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.6	-179.3	63.6	-84.7	0	0	0	112	R432 L580 T582 F583 L594 V605	R432-Y600 WeakPolarHBondContact CD-OH 3.4Å; R432-Y600 PolarHBondContact NH1-OH 2.66Å; L580-Y600 HydrophobicContact CB-CD1 4.29Å; L580-Y600 HydrophobicContact CB-CD2 4.3Å; L580-Y600 HydrophobicContact CB-CE1 3.9Å; L580-Y600 HydrophobicContact CB-CE2 3.95Å; L580-Y600 HydrophobicContact CB-CG 4.48Å; L580-Y600 WeakPolarHBondContact CB-O 3.27Å; L580-Y600 HydrophobicContact CD1-CE2 4Å; L580-Y600 PolarHBondContact N-O 2.95Å; L580-Y600 WeakPolarHBondContact O-CD1 3.49Å; L580-Y600 VanDerWaalsContact O-CE1 3.28Å; L580-Y600 WeakPolarHBondContact O-CE1 3.35Å; L580-Y600 PolarHBondContact O-N 2.72Å; T582-Y600 PolarHBondContact O-OH 2.88Å; F583-Y600 HydrophobicContact CD1-CE1 4.46Å; F583-Y600 HydrophobicContact CE1-CD1 4.47Å; L594-Y600 HydrophobicContact CD2-CD1 3.52Å; L594-Y600 HydrophobicContact CD2-CD2 3.8Å; L594-Y600 HydrophobicContact CD2-CE1 3.51Å; L594-Y600 HydrophobicContact CD2-CE2 3.75Å; L594-Y600 HydrophobicContact CD2-CG 3.68Å; Y600-V605 HydrophobicContact CD2-CG2 3.65Å; Y600-V605 HydrophobicContact CE2-CG2 4.24Å; Y600-V605 HydrophobicContact CG-CG2 4.38Å
601	R	92.2	Very high	93.7	Very high	50 Å²	50	26.6 Å²	26.6	19%	0.189	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.4	166.6	-73.6	174.3	-66	174.8	-1	109.3	N577 P604 D665	N577-R601 WeakPolarHBondContact OD1-CD 3.46Å; R601-P604 HydrophobicContact CB-CG 4.34Å; R601-D665 IonicContact CZ-OD1 2.7Å; R601-D665 VanDerWaalsContact CZ-OD1 3.22Å; R601-D665 IonicContact CZ-OD2 3.22Å; R601-D665 IonicContact NH1-OD1 3.66Å; R601-D665 PolarHBondContact NH1-OD1 3.25Å; R601-D665 IonicContact NH2-OD1 3.83Å; R601-D665 PolarHBondContact NH2-OD1 3.34Å; R601-D665 IonicContact NH2-OD2 2.81Å; R601-D665 PolarHBondContact NH2-OD2 3.39Å
602	G	92.6	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-70.4	-33.7	-173.4	0	0	0	0	0	115.3	V605 D606	G602-V605 WeakPolarHBondContact O-CB 3.36Å; G602-V605 PolarHBondContact O-N 2.89Å; G602-D606 PolarHBondContact O-N 3.08Å; G602-D606 VanDerWaalsContact O-N 3.16Å
603	G	95.8	Very high	94	Very high	14 Å²	14	26.5 Å²	26.5	14%	0.144	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-54.4	-177.9	0	0	0	0	0	113.7	H425 V605 D606 M607	H425-G603 PolarHBondContact CE1-O 3.05Å; G603-V605 PolarHBondContact O-N 3.31Å; G603-D606 PolarHBondContact O-N 2.91Å; G603-D606 VanDerWaalsContact O-N 3.14Å; G603-M607 WeakPolarHBondContact O-CG 3.28Å; G603-M607 PolarHBondContact O-N 2.89Å; G603-M607 VanDerWaalsContact O-N 3.13Å
604	P	97	Very high	94.2	Very high	24 Å²	24	25.9 Å²	25.9	16%	0.156	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-26	175.9	-27.9	36.7	0	0	0	115.1	R601 W608 P664 R667	R601-P604 HydrophobicContact CB-CG 4.34Å; P604-W608 PolarHBondContact O-N 3.34Å; P604-P664 HydrophobicContact CB-CB 3.73Å; P604-P664 HydrophobicContact CG-CB 4.23Å; P604-R667 WeakPolarHBondContact O-CD 3.19Å; P604-R667 PolarHBondContact O-NH1 3.13Å
605	V	96.8	Very high	94.4	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-70.7	-43.2	174.4	170.9	0	0	0	0	111.1	A591 E593 L594 Y600 G602 G603 M607 W608 A609	A591-V605 HydrophobicContact CB-CG1 4.41Å; A591-V605 HydrophobicContact CB-CG2 4.12Å; E593-V605 HydrophobicContact CG-CG2 4.08Å; E593-V605 VanDerWaalsContact OE1-CG2 3.28Å; E593-V605 WeakPolarHBondContact OE1-CG2 3.4Å; L594-V605 HydrophobicContact CD1-CG1 3.78Å; L594-V605 HydrophobicContact CD2-CG1 4.47Å; L594-V605 HydrophobicContact CD2-CG2 4.29Å; L594-V605 HydrophobicContact CG-CG1 4.26Å; L594-V605 HydrophobicContact CG-CG2 4.29Å; Y600-V605 HydrophobicContact CD2-CG2 3.65Å; Y600-V605 HydrophobicContact CE2-CG2 4.24Å; Y600-V605 HydrophobicContact CG-CG2 4.38Å; G602-V605 WeakPolarHBondContact O-CB 3.36Å; G602-V605 PolarHBondContact O-N 2.89Å; G603-V605 PolarHBondContact O-N 3.31Å; V605-M607 VanDerWaalsContact C-N 3.28Å; V605-M607 PolarHBondContact O-N 3.15Å; V605-W608 PolarHBondContact O-N 3.06Å; V605-A609 PolarHBondContact O-N 2.92Å
606	D	97.8	Very high	94.7	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-61.9	-37.3	173.4	-72.5	-24.4	0	0	0	111.2	V421 H425 V430 H431 R432 I434 G602 G603 A609 L610	V421-D606 HydrophobicContact CG1-CB 4.36Å; H425-D606 IonicContact CD2-OD2 2.75Å; H425-D606 IonicContact CE1-OD2 2.73Å; H425-D606 IonicContact NE2-OD2 3.5Å; H425-D606 PolarHBondContact NE2-OD2 3.28Å; V430-D606 WeakPolarHBondContact CA-OD2 3.31Å; H431-D606 PolarHBondContact N-OD1 2.87Å; H431-D606 PolarHBondContact N-OD2 2.95Å; R432-D606 PolarHBondContact N-OD1 3.06Å; I434-D606 HydrophobicContact CD1-CB 3.73Å; G602-D606 PolarHBondContact O-N 3.08Å; G602-D606 VanDerWaalsContact O-N 3.16Å; G603-D606 PolarHBondContact O-N 2.91Å; G603-D606 VanDerWaalsContact O-N 3.14Å; D606-A609 PolarHBondContact O-N 3.01Å; D606-L610 WeakPolarHBondContact O-CG 3.41Å; D606-L610 PolarHBondContact O-N 3.24Å
607	M	98.3	Very high	95.1	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.02	10%	0.104	C	C	.	.	H	α-helix	trans	-67.8	-38.4	176.3	-59.5	-46.8	-58.1	0	0	113	I418 V421 G603 V605 L610 G611 L659 P668 A670 L673	I418-M607 HydrophobicContact CD1-CE 4.12Å; V421-M607 HydrophobicContact CG1-SD 4.23Å; G603-M607 WeakPolarHBondContact O-CG 3.28Å; G603-M607 PolarHBondContact O-N 2.89Å; G603-M607 VanDerWaalsContact O-N 3.13Å; V605-M607 VanDerWaalsContact C-N 3.28Å; V605-M607 PolarHBondContact O-N 3.15Å; M607-L610 HydrophobicContact CE-CD1 3.79Å; M607-L610 WeakPolarHBondContact O-CB 3.21Å; M607-L610 PolarHBondContact O-N 3.16Å; M607-L610 HydrophobicContact SD-CD1 3.84Å; M607-G611 PolarHBondContact O-N 3.15Å; M607-G611 VanDerWaalsContact O-N 3.1Å; M607-L659 HydrophobicContact CB-CD2 4.35Å; M607-L659 HydrophobicContact CE-CD2 3.82Å; M607-P668 WeakPolarHBondContact CE-O 3.01Å; M607-A670 HydrophobicContact CE-CB 4.21Å; M607-A670 HydrophobicContact SD-CB 3.97Å; M607-L673 HydrophobicContact CE-CD1 3.65Å
608	W	98	Very high	95.9	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-48.8	171.3	173.1	-79.3	0	0	0	111.1	A590 A591 P592 P604 V605 L610 G611 I612 F624 V636 T660	A590-W608 PolarHBondContact O-NE1 3.24Å; A590-W608 VanDerWaalsContact O-NE1 3.08Å; A591-W608 HydrophobicContact CB-CB 3.78Å; A591-W608 HydrophobicContact CB-CD2 3.96Å; A591-W608 HydrophobicContact CB-CG 3.56Å; P592-W608 HydrophobicContact CG-CE3 4.45Å; P592-W608 HydrophobicContact CG-CH2 4.23Å; P592-W608 HydrophobicContact CG-CZ3 4.02Å; P604-W608 PolarHBondContact O-N 3.34Å; V605-W608 PolarHBondContact O-N 3.06Å; W608-L610 VanDerWaalsContact C-N 3.27Å; W608-L610 PolarHBondContact O-N 3.09Å; W608-G611 WeakPolarHBondContact O-CA 3.37Å; W608-G611 PolarHBondContact O-N 2.77Å; W608-I612 PolarHBondContact O-N 2.93Å; W608-F624 HydrophobicContact CH2-CE2 4.19Å; W608-F624 HydrophobicContact CH2-CZ 4.25Å; W608-F624 HydrophobicContact CZ2-CD2 4.39Å; W608-F624 AromaticContact CZ2-CE2 3.62Å; W608-F624 HydrophobicContact CZ2-CE2 3.62Å; W608-F624 HydrophobicContact CZ2-CZ 4.09Å; W608-V636 HydrophobicContact CH2-CG1 4.44Å; W608-V636 HydrophobicContact CZ2-CG1 3.95Å; W608-T660 HydrophobicContact CD2-CG2 4.46Å; W608-T660 VanDerWaalsContact CZ3-C 3.46Å; W608-T660 WeakPolarHBondContact CZ3-O 3.21Å
609	A	98.3	Very high	96.6	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.033	6%	0.055	C	C	.	.	H	α-helix	trans	-61.7	-34.7	179.6	0	0	0	0	0	112.6	I434 V605 D606 I612 V613	I434-A609 HydrophobicContact CB-CB 3.91Å; I434-A609 HydrophobicContact CG2-CB 4.44Å; V605-A609 PolarHBondContact O-N 2.92Å; D606-A609 PolarHBondContact O-N 3.01Å; A609-I612 PolarHBondContact O-N 2.84Å; A609-V613 WeakPolarHBondContact O-CG2 3.44Å; A609-V613 PolarHBondContact O-N 3.13Å
610	L	98.5	Very high	97	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-62	-39.2	168.6	-78.2	166.3	0	0	0	112.7	F414 L417 I418 V421 I434 D606 M607 W608 V613 L614	F414-L610 HydrophobicContact CE2-CB 4.04Å; F414-L610 HydrophobicContact CE2-CD2 4.05Å; F414-L610 WeakPolarHBondContact CE2-O 3.3Å; F414-L610 HydrophobicContact CZ-CB 4.08Å; L417-L610 HydrophobicContact CB-CD2 3.92Å; I418-L610 HydrophobicContact CD1-CD1 3.69Å; I418-L610 HydrophobicContact CD1-CD2 4.46Å; V421-L610 HydrophobicContact CB-CD1 4.1Å; V421-L610 HydrophobicContact CG1-CD1 4Å; V421-L610 HydrophobicContact CG2-CD1 3.97Å; V421-L610 HydrophobicContact CG2-CD2 4.4Å; V421-L610 HydrophobicContact CG2-CG 4.48Å; I434-L610 HydrophobicContact CD1-CG 4.31Å; I434-L610 HydrophobicContact CG2-CD2 4.38Å; D606-L610 WeakPolarHBondContact O-CG 3.41Å; D606-L610 PolarHBondContact O-N 3.24Å; M607-L610 HydrophobicContact CE-CD1 3.79Å; M607-L610 WeakPolarHBondContact O-CB 3.21Å; M607-L610 PolarHBondContact O-N 3.16Å; M607-L610 HydrophobicContact SD-CD1 3.84Å; W608-L610 VanDerWaalsContact C-N 3.27Å; W608-L610 PolarHBondContact O-N 3.09Å; L610-V613 PolarHBondContact O-N 3.02Å; L610-L614 WeakPolarHBondContact O-CB 3.34Å; L610-L614 PolarHBondContact O-N 2.97Å
611	G	98.2	Very high	97.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.8	-42.9	172.3	0	0	0	0	0	113	M607 W608 L614 F615 Y656	M607-G611 PolarHBondContact O-N 3.15Å; M607-G611 VanDerWaalsContact O-N 3.1Å; W608-G611 WeakPolarHBondContact O-CA 3.37Å; W608-G611 PolarHBondContact O-N 2.77Å; G611-L614 PolarHBondContact O-N 2.86Å; G611-F615 PolarHBondContact O-N 2.89Å; G611-Y656 WeakPolarHBondContact O-CD2 3.49Å
612	I	98.2	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-42.5	174.2	-54.1	-58.1	0	0	0	111.3	Y589 W608 A609 F615 F616 L622 P623 F624 T660	Y589-I612 HydrophobicContact CD1-CB 3.89Å; Y589-I612 HydrophobicContact CD1-CG2 3.49Å; Y589-I612 VanDerWaalsContact CD1-CG2 3.49Å; Y589-I612 HydrophobicContact CE1-CG2 3.85Å; Y589-I612 HydrophobicContact CG-CG2 4.17Å; W608-I612 PolarHBondContact O-N 2.93Å; A609-I612 PolarHBondContact O-N 2.84Å; I612-F615 PolarHBondContact O-N 3.07Å; I612-F616 WeakPolarHBondContact O-CB 3.28Å; I612-F616 PolarHBondContact O-N 3.26Å; I612-L622 HydrophobicContact CG2-CD2 3.93Å; I612-P623 HydrophobicContact CD1-CG 3.66Å; I612-P623 HydrophobicContact CG2-CG 4.43Å; I612-F624 HydrophobicContact CD1-CD2 3.82Å; I612-F624 HydrophobicContact CD1-CE2 3.78Å; I612-T660 HydrophobicContact CD1-CG2 4.06Å
613	V	98.5	Very high	97.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-40.8	175	168.7	0	0	0	0	111.8	L395 L417 I434 I439 Y589 A609 L610 F616 M617	L395-V613 HydrophobicContact CD2-CG1 3.94Å; L417-V613 HydrophobicContact CD1-CG1 4.08Å; I434-V613 HydrophobicContact CG2-CG2 4.3Å; I439-V613 HydrophobicContact CD1-CG1 3.73Å; I439-V613 HydrophobicContact CD1-CG2 4.11Å; Y589-V613 HydrophobicContact CD1-CG2 4.22Å; Y589-V613 HydrophobicContact CE1-CG2 3.91Å; A609-V613 WeakPolarHBondContact O-CG2 3.44Å; A609-V613 PolarHBondContact O-N 3.13Å; L610-V613 PolarHBondContact O-N 3.02Å; V613-F616 PolarHBondContact O-N 3.12Å; V613-M617 HydrophobicContact CG1-CE 4.37Å; V613-M617 WeakPolarHBondContact O-CG 3.45Å; V613-M617 PolarHBondContact O-N 3.3Å
614	L	98.4	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.3	-47.5	175.6	178.6	63	0	0	0	111.4	F414 L610 G611 F616 M617 L618 L655 L659 W700	F414-L614 HydrophobicContact CD2-CB 4.25Å; F414-L614 HydrophobicContact CD2-CD1 4.24Å; F414-L614 HydrophobicContact CE1-CD2 4.41Å; F414-L614 HydrophobicContact CE2-CB 3.87Å; F414-L614 HydrophobicContact CG-CD1 4.23Å; F414-L614 HydrophobicContact CZ-CB 4.24Å; F414-L614 HydrophobicContact CZ-CD2 4.37Å; L610-L614 WeakPolarHBondContact O-CB 3.34Å; L610-L614 PolarHBondContact O-N 2.97Å; G611-L614 PolarHBondContact O-N 2.86Å; L614-F616 VanDerWaalsContact C-N 3.34Å; L614-F616 PolarHBondContact O-N 3.43Å; L614-M617 HydrophobicContact CD1-CE 4.27Å; L614-M617 PolarHBondContact O-N 3.48Å; L614-L618 HydrophobicContact CD1-CD1 3.78Å; L614-L618 HydrophobicContact CD1-CG 4.22Å; L614-L618 HydrophobicContact CG-CD1 3.96Å; L614-L618 WeakPolarHBondContact O-CG 3.07Å; L614-L618 PolarHBondContact O-N 3.15Å; L614-L655 HydrophobicContact CD2-CB 4.18Å; L614-L655 HydrophobicContact CD2-CD2 3.76Å; L614-L655 HydrophobicContact CD2-CG 3.75Å; L614-L659 HydrophobicContact CD2-CD1 4.05Å; L614-W700 HydrophobicContact CD1-CH2 3.64Å; L614-W700 HydrophobicContact CD1-CZ2 4.4Å; L614-W700 HydrophobicContact CD1-CZ3 3.89Å
615	F	98.2	Very high	97.3	Very high	5 Å²	5	14.1 Å²	14.1	2%	0.022	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-44.6	176.2	-168.9	-82.5	0	0	0	111.8	G611 I612 M617 L618 T619 L621 P623 L642 P644 Y656	G611-F615 PolarHBondContact O-N 2.89Å; I612-F615 PolarHBondContact O-N 3.07Å; F615-M617 PolarHBondContact O-N 3.06Å; F615-L618 PolarHBondContact O-N 2.92Å; F615-T619 HydrophobicContact CD1-CG2 4.04Å; F615-T619 WeakPolarHBondContact CD1-OG1 3.03Å; F615-T619 HydrophobicContact CD2-CG2 4.49Å; F615-T619 HydrophobicContact CE1-CG2 3.75Å; F615-T619 VanDerWaalsContact CE1-OG1 3.31Å; F615-T619 WeakPolarHBondContact CE1-OG1 3.4Å; F615-T619 HydrophobicContact CE2-CG2 4.24Å; F615-T619 HydrophobicContact CG-CG2 4.4Å; F615-T619 HydrophobicContact CZ-CG2 3.86Å; F615-T619 WeakPolarHBondContact O-CB 3.39Å; F615-T619 WeakPolarHBondContact O-CG2 3.48Å; F615-T619 PolarHBondContact O-N 3.33Å; F615-T619 PolarHBondContact O-OG1 2.83Å; F615-L621 WeakPolarHBondContact CD1-O 3.47Å; F615-P623 HydrophobicContact CB-CG 4.38Å; F615-P623 HydrophobicContact CD1-CB 3.92Å; F615-P623 HydrophobicContact CD1-CG 4.03Å; F615-P623 HydrophobicContact CD2-CB 4.32Å; F615-P623 HydrophobicContact CE1-CB 3.91Å; F615-P623 HydrophobicContact CE2-CB 4.3Å; F615-P623 HydrophobicContact CG-CB 4.13Å; F615-P623 HydrophobicContact CG-CG 4.11Å; F615-P623 HydrophobicContact CZ-CB 4.11Å; F615-L642 HydrophobicContact CE1-CB 4.26Å; F615-L642 WeakPolarHBondContact CE2-O 3.32Å; F615-L642 HydrophobicContact CZ-CB 3.78Å; F615-P644 HydrophobicContact CE2-CG 4.31Å; F615-Y656 HydrophobicContact CB-CD2 3.72Å; F615-Y656 HydrophobicContact CB-CE2 3.63Å; F615-Y656 HydrophobicContact CD2-CD1 4.19Å; F615-Y656 AromaticContact CD2-CD2 3.8Å; F615-Y656 HydrophobicContact CD2-CD2 3.8Å; F615-Y656 AromaticContact CD2-CE1 3.97Å; F615-Y656 HydrophobicContact CD2-CE1 3.97Å; F615-Y656 AromaticContact CD2-CE2 3.58Å; F615-Y656 HydrophobicContact CD2-CE2 3.58Å; F615-Y656 HydrophobicContact CD2-CG 4.09Å; F615-Y656 AromaticContact CD2-CZ 3.66Å; F615-Y656 HydrophobicContact CE2-CE1 4.32Å; F615-Y656 HydrophobicContact CG-CD2 4.22Å; F615-Y656 AromaticContact CG-CE2 3.9Å; F615-Y656 HydrophobicContact CG-CE2 3.9Å
616	F	98.2	Very high	96.9	Very high	12 Å²	12	15.5 Å²	15.5	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-39.3	178.3	-177.2	-115.2	0	0	0	112.5	N396 I399 A436 I612 V613 L614 G620 L621 L622	N396-F616 HydrophobicContact CB-CE1 4.44Å; I399-F616 HydrophobicContact CB-CE1 3.98Å; I399-F616 HydrophobicContact CB-CZ 3.96Å; I399-F616 HydrophobicContact CD1-CD1 3.52Å; I399-F616 HydrophobicContact CD1-CE1 3.46Å; I399-F616 VanDerWaalsContact CD1-CE1 3.46Å; I399-F616 HydrophobicContact CD1-CG 4.3Å; I399-F616 HydrophobicContact CD1-CZ 4.21Å; I399-F616 HydrophobicContact CG1-CE1 4.3Å; I399-F616 HydrophobicContact CG2-CE1 4.06Å; I399-F616 HydrophobicContact CG2-CE2 4Å; I399-F616 HydrophobicContact CG2-CZ 3.67Å; A436-F616 HydrophobicContact CB-CD1 3.67Å; A436-F616 HydrophobicContact CB-CE1 3.53Å; I612-F616 WeakPolarHBondContact O-CB 3.28Å; I612-F616 PolarHBondContact O-N 3.26Å; V613-F616 PolarHBondContact O-N 3.12Å; L614-F616 VanDerWaalsContact C-N 3.34Å; L614-F616 PolarHBondContact O-N 3.43Å; F616-G620 VanDerWaalsContact O-CA 3.3Å; F616-G620 WeakPolarHBondContact O-CA 3.3Å; F616-G620 PolarHBondContact O-N 3.48Å; F616-L621 WeakPolarHBondContact CA-O 3.35Å; F616-L622 HydrophobicContact CB-CD2 4.3Å; F616-L622 HydrophobicContact CD2-CD2 4.16Å; F616-L622 HydrophobicContact CD2-CG 4.26Å; F616-L622 HydrophobicContact CG-CD2 4.32Å
617	M	98.2	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-43.7	172.4	-71.1	-169	-58.3	0	0	112.6	L395 I399 K404 L405 V413 F414 V613 L614 F615	L395-M617 HydrophobicContact CD1-CG 4.16Å; L395-M617 HydrophobicContact CD1-SD 4.39Å; L395-M617 HydrophobicContact CD2-CG 3.92Å; L395-M617 HydrophobicContact CD2-SD 4.06Å; I399-M617 HydrophobicContact CD1-CG 4.21Å; K404-M617 WeakPolarHBondContact CB-O 3.5Å; L405-M617 HydrophobicContact CD1-CB 4.35Å; L405-M617 HydrophobicContact CD1-CG 4.16Å; L405-M617 HydrophobicContact CD1-SD 3.95Å; L405-M617 PolarHBondContact N-O 3.33Å; V413-M617 HydrophobicContact CB-SD 3.96Å; V413-M617 HydrophobicContact CG1-CE 4.36Å; V413-M617 HydrophobicContact CG1-SD 3.52Å; V413-M617 VanDerWaalsContact CG1-SD 3.52Å; F414-M617 HydrophobicContact CB-CE 4.08Å; F414-M617 HydrophobicContact CD2-CE 3.84Å; F414-M617 HydrophobicContact CG-CE 4.39Å; V613-M617 HydrophobicContact CG1-CE 4.37Å; V613-M617 WeakPolarHBondContact O-CG 3.45Å; V613-M617 PolarHBondContact O-N 3.3Å; L614-M617 HydrophobicContact CD1-CE 4.27Å; L614-M617 PolarHBondContact O-N 3.48Å; F615-M617 PolarHBondContact O-N 3.06Å
618	L	97.6	Very high	96.4	Very high	4 Å²	4	25 Å²	25	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-83	-16.5	-173.6	-68.1	175.3	0	0	0	115.1	K404 E407 S410 L614 F615 L648 A652 W700	K404-L618 WeakPolarHBondContact CD-O 3.45Å; K404-L618 PolarHBondContact NZ-O 3.48Å; E407-L618 HydrophobicContact CB-CD2 4.49Å; E407-L618 HydrophobicContact CG-CD2 3.63Å; S410-L618 WeakPolarHBondContact OG-CD2 3.45Å; L614-L618 HydrophobicContact CD1-CD1 3.78Å; L614-L618 HydrophobicContact CD1-CG 4.22Å; L614-L618 HydrophobicContact CG-CD1 3.96Å; L614-L618 WeakPolarHBondContact O-CG 3.07Å; L614-L618 PolarHBondContact O-N 3.15Å; F615-L618 PolarHBondContact O-N 2.92Å; L618-L648 HydrophobicContact CB-CD1 3.99Å; L618-L648 HydrophobicContact CB-CD2 4.05Å; L618-L648 HydrophobicContact CD1-CD1 4.33Å; L618-L648 HydrophobicContact CD2-CD2 4.43Å; L618-A652 HydrophobicContact CD1-CB 4.04Å; L618-W700 HydrophobicContact CD2-CZ2 4.38Å
619	T	97.2	Very high	96.1	Very high	27 Å²	27	27.3 Å²	27.3	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-123.1	-28.2	-176.7	66.2	0	0	0	0	114.1	F615 L621 P645 L648	F615-T619 HydrophobicContact CD1-CG2 4.04Å; F615-T619 WeakPolarHBondContact CD1-OG1 3.03Å; F615-T619 HydrophobicContact CD2-CG2 4.49Å; F615-T619 HydrophobicContact CE1-CG2 3.75Å; F615-T619 VanDerWaalsContact CE1-OG1 3.31Å; F615-T619 WeakPolarHBondContact CE1-OG1 3.4Å; F615-T619 HydrophobicContact CE2-CG2 4.24Å; F615-T619 HydrophobicContact CG-CG2 4.4Å; F615-T619 HydrophobicContact CZ-CG2 3.86Å; F615-T619 WeakPolarHBondContact O-CB 3.39Å; F615-T619 WeakPolarHBondContact O-CG2 3.48Å; F615-T619 PolarHBondContact O-N 3.33Å; F615-T619 PolarHBondContact O-OG1 2.83Å; T619-L621 PolarHBondContact OG1-N 3.42Å; T619-L621 PolarHBondContact OG1-O 3.01Å; T619-P645 HydrophobicContact CG2-CG 4.37Å; T619-L648 HydrophobicContact CG2-CD1 4.36Å
620	G	96.7	Very high	95.9	Very high	25 Å²	25	29.4 Å²	29.4	26%	0.258	20%	0.197	S	C	.	.	S	Bend	trans	78.6	3.1	-167.3	0	0	0	0	0	114.4	F616	F616-G620 VanDerWaalsContact O-CA 3.3Å; F616-G620 WeakPolarHBondContact O-CA 3.3Å; F616-G620 PolarHBondContact O-N 3.48Å
621	L	96.4	Very high	95.6	Very high	100 Å²	100	33.6 Å²	33.6	52%	0.524	22%	0.217	S	C	.	.	S	Bend	trans	-120.6	155.5	-176.9	-58.8	176.9	0	0	0	110.6	F615 F616 T619 L642	F615-L621 WeakPolarHBondContact CD1-O 3.47Å; F616-L621 WeakPolarHBondContact CA-O 3.35Å; T619-L621 PolarHBondContact OG1-N 3.42Å; T619-L621 PolarHBondContact OG1-O 3.01Å; L621-L642 HydrophobicContact CB-CD1 4.06Å; L621-L642 HydrophobicContact CD1-CD1 3.99Å
622	L	96.2	Very high	95.4	Very high	32 Å²	32	34 Å²	34	17%	0.168	22%	0.22	C	C	.	.			trans	-90.7	136	168.4	-69.7	168.6	0	0	0	108.6	A588 Y589 I612 F616 F624	A588-L622 HydrophobicContact CB-CD1 4.07Å; Y589-L622 HydrophobicContact CE1-CD2 4.19Å; I612-L622 HydrophobicContact CG2-CD2 3.93Å; F616-L622 HydrophobicContact CB-CD2 4.3Å; F616-L622 HydrophobicContact CD2-CD2 4.16Å; F616-L622 HydrophobicContact CD2-CG 4.26Å; F616-L622 HydrophobicContact CG-CD2 4.32Å; L622-F624 VanDerWaalsContact C-N 3.3Å; L622-F624 PolarHBondContact O-N 2.92Å
623	P	96.5	Very high	95.2	Very high	2 Å²	2	39 Å²	39	1%	0.013	24%	0.239	C	C	.	.	S	Bend	trans	-70.7	-27.5	-176.9	28.3	-33	0	0	0	112.6	I612 F615 G641 L642 Y656	I612-P623 HydrophobicContact CD1-CG 3.66Å; I612-P623 HydrophobicContact CG2-CG 4.43Å; F615-P623 HydrophobicContact CB-CG 4.38Å; F615-P623 HydrophobicContact CD1-CB 3.92Å; F615-P623 HydrophobicContact CD1-CG 4.03Å; F615-P623 HydrophobicContact CD2-CB 4.32Å; F615-P623 HydrophobicContact CE1-CB 3.91Å; F615-P623 HydrophobicContact CE2-CB 4.3Å; F615-P623 HydrophobicContact CG-CB 4.13Å; F615-P623 HydrophobicContact CG-CG 4.11Å; F615-P623 HydrophobicContact CZ-CB 4.11Å; P623-G641 CarbonylContact O-C 3.48Å; P623-G641 WeakPolarHBondContact O-CA 3.36Å; P623-L642 PolarHBondContact O-N 3.33Å; P623-Y656 VanDerWaalsContact CB-OH 3.23Å; P623-Y656 WeakPolarHBondContact CB-OH 3.36Å; P623-Y656 HydrophobicContact CG-CE2 4.29Å
624	F	95.3	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-120.5	105.7	177.3	-51	-75.2	0	0	0	109.8	W608 I612 L622 L635 V636	W608-F624 HydrophobicContact CH2-CE2 4.19Å; W608-F624 HydrophobicContact CH2-CZ 4.25Å; W608-F624 HydrophobicContact CZ2-CD2 4.39Å; W608-F624 AromaticContact CZ2-CE2 3.62Å; W608-F624 HydrophobicContact CZ2-CE2 3.62Å; W608-F624 HydrophobicContact CZ2-CZ 4.09Å; I612-F624 HydrophobicContact CD1-CD2 3.82Å; I612-F624 HydrophobicContact CD1-CE2 3.78Å; L622-F624 VanDerWaalsContact C-N 3.3Å; L622-F624 PolarHBondContact O-N 2.92Å; F624-L635 HydrophobicContact CB-CB 4.43Å; F624-L635 HydrophobicContact CD1-CB 3.96Å; F624-L635 WeakPolarHBondContact CD1-O 3.39Å; F624-L635 WeakPolarHBondContact CE1-O 3.25Å; F624-V636 HydrophobicContact CB-CG2 3.8Å; F624-V636 HydrophobicContact CD1-CG2 4.01Å; F624-V636 HydrophobicContact CD2-CG2 3.82Å; F624-V636 HydrophobicContact CE2-CG2 4.4Å; F624-V636 HydrophobicContact CG-CG2 3.6Å
625	S	91.5	Very high	94.9	Very high	72 Å²	72	49.5 Å²	49.5	50%	0.503	28%	0.282	S	S	.	.			trans	-136.6	136.3	-177.3	62.5	0	0	0	0	112	L635	S625-L635 VanDerWaalsContact O-CD1 3.23Å; S625-L635 WeakPolarHBondContact O-CD1 3.44Å
626	G	89.8	Confident	94.7	Very high	36 Å²	36	49.3 Å²	49.3	37%	0.371	28%	0.281	S	S	.	.			trans	-160	164	177	0	0	0	0	0	111.4	T628	G626-T628 VanDerWaalsContact C-N 3.29Å; G626-T628 PolarHBondContact O-N 3.31Å
627	T	91.2	Very high	94.4	Very high	130 Å²	130	49.8 Å²	49.8	80%	0.798	28%	0.284	S	S	*	.	S	Bend	trans	-76.2	-18	-178.7	62.7	0	0	0	0	113	Q631	T627-Q631 PolarHBondContact OG1-NE2 3.37Å; T627-Q631 PolarHBondContact OG1-OE1 3.42Å
628	T	94.1	Very high	94	Very high	74 Å²	74	53.5 Å²	53.5	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	-129.1	154.4	174.3	72.2	0	0	0	0	111.5	G626 G630 Q631 V632	G626-T628 VanDerWaalsContact C-N 3.29Å; G626-T628 PolarHBondContact O-N 3.31Å; T628-G630 PolarHBondContact O-N 3.09Å; T628-Q631 WeakPolarHBondContact O-CB 3.15Å; T628-Q631 PolarHBondContact O-N 3.04Å; T628-Q631 PolarHBondContact OG1-N 3.07Å; T628-V632 PolarHBondContact O-N 3.27Å
629	V	91.6	Very high	93.5	Very high	49 Å²	49	56.6 Å²	56.6	30%	0.297	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-23.6	174.1	175.6	0	0	0	0	112	M244 P587 F595 V632 R633	M244-V629 HydrophobicContact CE-CB 4.47Å; M244-V629 HydrophobicContact CE-CG1 4.27Å; M244-V629 HydrophobicContact CE-CG2 4Å; M244-V629 HydrophobicContact SD-CB 4.35Å; M244-V629 HydrophobicContact SD-CG2 3.6Å; M244-V629 VanDerWaalsContact SD-CG2 3.6Å; P587-V629 HydrophobicContact CB-CG1 4.03Å; P587-V629 HydrophobicContact CB-CG2 3.95Å; P587-V629 HydrophobicContact CG-CG1 4.17Å; P587-V629 HydrophobicContact CG-CG2 3.78Å; F595-V629 HydrophobicContact CE1-CG1 4.48Å; V629-V632 PolarHBondContact O-N 2.87Å; V629-R633 WeakPolarHBondContact O-CB 3.36Å; V629-R633 PolarHBondContact O-N 3.36Å
630	G	92.7	Very high	93.1	Very high	48 Å²	48	59.3 Å²	59.3	50%	0.495	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-40.8	169.6	0	0	0	0	0	112.9	T628 R634	T628-G630 PolarHBondContact O-N 3.09Å; G630-R634 WeakPolarHBondContact O-CB 3.39Å; G630-R634 PolarHBondContact O-N 3.43Å
631	Q	93.8	Very high	92.7	Very high	89 Å²	89	58.7 Å²	58.7	42%	0.416	33%	0.333	S	S	.	.	H	α-helix	trans	-67.9	-47.9	173.3	-70.1	171.5	-1.6	0	0	111.7	T627 T628 R633 R634 L635	T627-Q631 PolarHBondContact OG1-NE2 3.37Å; T627-Q631 PolarHBondContact OG1-OE1 3.42Å; T628-Q631 WeakPolarHBondContact O-CB 3.15Å; T628-Q631 PolarHBondContact O-N 3.04Å; T628-Q631 PolarHBondContact OG1-N 3.07Å; Q631-R633 PolarHBondContact O-N 3.26Å; Q631-R634 PolarHBondContact O-N 3.16Å; Q631-R634 VanDerWaalsContact O-N 3.09Å; Q631-L635 WeakPolarHBondContact O-CG 3.41Å; Q631-L635 PolarHBondContact O-N 2.73Å
632	V	93.8	Very high	92.6	Very high	10 Å²	10	57.8 Å²	57.8	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-59.7	-46.4	178.9	176.9	0	0	0	0	111.1	T628 V629 R634 L635 V636	T628-V632 PolarHBondContact O-N 3.27Å; V629-V632 PolarHBondContact O-N 2.87Å; V632-R634 VanDerWaalsContact C-N 3.32Å; V632-R634 PolarHBondContact O-N 3.34Å; V632-L635 PolarHBondContact O-N 2.86Å; V632-V636 WeakPolarHBondContact O-CG2 3.46Å; V632-V636 PolarHBondContact O-N 3.16Å
633	R	94.6	Very high	92.5	Very high	104 Å²	104	61.2 Å²	61.2	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-51.7	-50.6	171.5	172.7	-176.5	175.5	102.9	14	110.8	F595 V629 Q631 V636 L637	F595-R633 HydrophobicContact CB-CG 4.06Å; F595-R633 HydrophobicContact CD1-CB 4.02Å; F595-R633 HydrophobicContact CD1-CG 3.83Å; F595-R633 HydrophobicContact CD2-CG 4.46Å; F595-R633 HydrophobicContact CE1-CB 4.02Å; F595-R633 HydrophobicContact CE1-CG 4.35Å; F595-R633 HydrophobicContact CG-CB 4.35Å; F595-R633 HydrophobicContact CG-CG 3.88Å; F595-R633 HydrophobicContact CZ-CB 4.35Å; F595-R633 PolarHBondContact O-NH1 3.02Å; F595-R633 PolarHBondContact O-NH2 3.45Å; V629-R633 WeakPolarHBondContact O-CB 3.36Å; V629-R633 PolarHBondContact O-N 3.36Å; Q631-R633 PolarHBondContact O-N 3.26Å; R633-V636 PolarHBondContact O-N 3.27Å; R633-L637 HydrophobicContact CG-CD1 3.88Å; R633-L637 HydrophobicContact CG-CG 4.24Å; R633-L637 WeakPolarHBondContact O-CB 3.44Å; R633-L637 VanDerWaalsContact O-CG 3.31Å; R633-L637 WeakPolarHBondContact O-CG 3.48Å; R633-L637 PolarHBondContact O-N 2.68Å
634	R	94.2	Very high	92.4	Very high	169 Å²	169	61.6 Å²	61.6	64%	0.638	35%	0.346	S	S	*	.	H	α-helix	trans	-61.3	-45.9	-179	-175.2	171.9	-176.6	165.2	5.2	112	G630 Q631 V632 V636 L637 D638	G630-R634 WeakPolarHBondContact O-CB 3.39Å; G630-R634 PolarHBondContact O-N 3.43Å; Q631-R634 PolarHBondContact O-N 3.16Å; Q631-R634 VanDerWaalsContact O-N 3.09Å; V632-R634 VanDerWaalsContact C-N 3.32Å; V632-R634 PolarHBondContact O-N 3.34Å; R634-V636 VanDerWaalsContact C-N 3.32Å; R634-V636 PolarHBondContact O-N 2.89Å; R634-L637 PolarHBondContact O-N 2.92Å; R634-D638 WeakPolarHBondContact CG-OD2 3.18Å; R634-D638 IonicContact CZ-OD2 3.67Å; R634-D638 IonicContact NE-OD2 2.82Å; R634-D638 PolarHBondContact NE-OD2 2.86Å; R634-D638 IonicContact NH2-OD2 3.61Å; R634-D638 VanDerWaalsContact O-CB 3.3Å; R634-D638 WeakPolarHBondContact O-CB 3.44Å; R634-D638 VanDerWaalsContact O-CG 3.31Å; R634-D638 PolarHBondContact O-N 3.14Å
635	L	94.8	Very high	92.4	Very high	51 Å²	51	64.2 Å²	64.2	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-37.9	178.9	-63.5	172.8	0	0	0	112.3	F624 S625 Q631 V632 N639 C640	F624-L635 HydrophobicContact CB-CB 4.43Å; F624-L635 HydrophobicContact CD1-CB 3.96Å; F624-L635 WeakPolarHBondContact CD1-O 3.39Å; F624-L635 WeakPolarHBondContact CE1-O 3.25Å; S625-L635 VanDerWaalsContact O-CD1 3.23Å; S625-L635 WeakPolarHBondContact O-CD1 3.44Å; Q631-L635 WeakPolarHBondContact O-CG 3.41Å; Q631-L635 PolarHBondContact O-N 2.73Å; V632-L635 PolarHBondContact O-N 2.86Å; L635-N639 CarbonylContact O-C 3.5Å; L635-N639 WeakPolarHBondContact O-CA 3.43Å; L635-N639 PolarHBondContact O-N 2.9Å; L635-N639 VanDerWaalsContact O-N 3.11Å; L635-C640 HydrophobicContact CD2-CB 4.37Å; L635-C640 PolarHBondContact O-N 3.31Å
636	V	93.9	Very high	92.5	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.012	38%	0.383	C	S	.	.	H	α-helix	trans	-67.7	-42.8	174.3	171.2	0	0	0	0	111.7	P592 F595 W608 F624 V632 R633 R634 N639	P592-V636 HydrophobicContact CB-CG1 4.07Å; F595-V636 HydrophobicContact CD2-CB 4.44Å; F595-V636 HydrophobicContact CD2-CG1 4.06Å; F595-V636 HydrophobicContact CE2-CB 4.18Å; F595-V636 HydrophobicContact CE2-CG1 4.04Å; F595-V636 HydrophobicContact CE2-CG2 4.35Å; W608-V636 HydrophobicContact CH2-CG1 4.44Å; W608-V636 HydrophobicContact CZ2-CG1 3.95Å; F624-V636 HydrophobicContact CB-CG2 3.8Å; F624-V636 HydrophobicContact CD1-CG2 4.01Å; F624-V636 HydrophobicContact CD2-CG2 3.82Å; F624-V636 HydrophobicContact CE2-CG2 4.4Å; F624-V636 HydrophobicContact CG-CG2 3.6Å; V632-V636 WeakPolarHBondContact O-CG2 3.46Å; V632-V636 PolarHBondContact O-N 3.16Å; R633-V636 PolarHBondContact O-N 3.27Å; R634-V636 VanDerWaalsContact C-N 3.32Å; R634-V636 PolarHBondContact O-N 2.89Å; V636-N639 PolarHBondContact O-N 3.4Å
637	L	92.5	Very high	92.7	Very high	22 Å²	22	71.5 Å²	71.5	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-78.1	-30.9	-177.8	-67.4	-170.2	0	0	0	114.1	P592 F595 E596 R633 R634 R662	P592-L637 HydrophobicContact CB-CD2 3.7Å; F595-L637 HydrophobicContact CB-CD1 4.07Å; F595-L637 HydrophobicContact CB-CD2 4.02Å; F595-L637 HydrophobicContact CB-CG 4.22Å; E596-L637 HydrophobicContact CG-CD1 4.15Å; E596-L637 HydrophobicContact CG-CD2 3.65Å; R633-L637 HydrophobicContact CG-CD1 3.88Å; R633-L637 HydrophobicContact CG-CG 4.24Å; R633-L637 WeakPolarHBondContact O-CB 3.44Å; R633-L637 VanDerWaalsContact O-CG 3.31Å; R633-L637 WeakPolarHBondContact O-CG 3.48Å; R633-L637 PolarHBondContact O-N 2.68Å; R634-L637 PolarHBondContact O-N 2.92Å; L637-R662 PolarHBondContact O-NH1 3.03Å; L637-R662 PolarHBondContact O-NH2 3.46Å
638	D	90.6	Very high	93	Very high	78 Å²	78	66.3 Å²	66.3	42%	0.417	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.3	173.1	-61.2	-4.8	0	0	0	110.5	R634 C640	R634-D638 WeakPolarHBondContact CG-OD2 3.18Å; R634-D638 IonicContact CZ-OD2 3.67Å; R634-D638 IonicContact NE-OD2 2.82Å; R634-D638 PolarHBondContact NE-OD2 2.86Å; R634-D638 IonicContact NH2-OD2 3.61Å; R634-D638 VanDerWaalsContact O-CB 3.3Å; R634-D638 WeakPolarHBondContact O-CB 3.44Å; R634-D638 VanDerWaalsContact O-CG 3.31Å; R634-D638 PolarHBondContact O-N 3.14Å; D638-C640 HydrophobicContact CB-CB 4.32Å; D638-C640 PolarHBondContact O-N 2.85Å; D638-C640 PolarHBondContact O-SG 3.4Å; D638-C640 VanDerWaalsContact O-SG 3.39Å
639	N	86.5	Confident	93	Very high	69 Å²	69	64.5 Å²	64.5	37%	0.369	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	22.2	-170	-163.6	44	0	0	0	114.1	L635 V636 G641	L635-N639 CarbonylContact O-C 3.5Å; L635-N639 WeakPolarHBondContact O-CA 3.43Å; L635-N639 PolarHBondContact O-N 2.9Å; L635-N639 VanDerWaalsContact O-N 3.11Å; V636-N639 PolarHBondContact O-N 3.4Å; N639-G641 PolarHBondContact O-N 2.87Å
640	C	87.7	Confident	93.1	Very high	84 Å²	84	66.6 Å²	66.6	57%	0.568	37%	0.367	S	S	*	.			trans	-85.1	45.1	-177.6	-62.5	0	0	0	0	112.8	L635 D638	L635-C640 HydrophobicContact CD2-CB 4.37Å; L635-C640 PolarHBondContact O-N 3.31Å; D638-C640 HydrophobicContact CB-CB 4.32Å; D638-C640 PolarHBondContact O-N 2.85Å; D638-C640 PolarHBondContact O-SG 3.4Å; D638-C640 VanDerWaalsContact O-SG 3.39Å
641	G	90	Very high	93.1	Very high	12 Å²	12	65.1 Å²	65.1	12%	0.124	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-83.9	170.3	175.3	0	0	0	0	0	113.5	P623 N639 Q643	P623-G641 CarbonylContact O-C 3.48Å; P623-G641 WeakPolarHBondContact O-CA 3.36Å; N639-G641 PolarHBondContact O-N 2.87Å; G641-Q643 PolarHBondContact O-N 2.96Å; G641-Q643 PolarHBondContact O-NE2 2.95Å
642	L	93.8	Very high	93.2	Very high	81 Å²	81	60.9 Å²	60.9	42%	0.424	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.1	131.9	166.9	-57.2	176.4	0	0	0	109.4	F615 L621 P623	F615-L642 HydrophobicContact CE1-CB 4.26Å; F615-L642 WeakPolarHBondContact CE2-O 3.32Å; F615-L642 HydrophobicContact CZ-CB 3.78Å; L621-L642 HydrophobicContact CB-CD1 4.06Å; L621-L642 HydrophobicContact CD1-CD1 3.99Å; P623-L642 PolarHBondContact O-N 3.33Å
643	Q	94.5	Very high	93.3	Very high	103 Å²	103	60.7 Å²	60.7	48%	0.481	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-88.3	157.5	176.5	-59.8	-54.4	-57.2	0	0	110.8	G641 P645	G641-Q643 PolarHBondContact O-N 2.96Å; G641-Q643 PolarHBondContact O-NE2 2.95Å; Q643-P645 WeakPolarHBondContact O-CD 3.44Å
644	P	94.5	Very high	93.3	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.071	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-57.1	123.3	172.3	-24.8	35.1	0	0	0	110	F615 L648 A653 Y656	F615-P644 HydrophobicContact CE2-CG 4.31Å; P644-L648 HydrophobicContact CB-CD1 4.25Å; P644-A653 HydrophobicContact CB-CB 3.72Å; P644-A653 HydrophobicContact CG-CB 4.1Å; P644-Y656 HydrophobicContact CG-CD1 3.38Å; P644-Y656 HydrophobicContact CG-CE1 3.97Å; P644-Y656 HydrophobicContact CG-CG 4.14Å
645	P	95.3	Very high	93.4	Very high	54 Å²	54	49.4 Å²	49.4	35%	0.351	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-72.2	148.3	179.4	29	-35	0	0	0	111	T619 Q643 S647 L648	T619-P645 HydrophobicContact CG2-CG 4.37Å; Q643-P645 WeakPolarHBondContact O-CD 3.44Å; P645-S647 PolarHBondContact O-N 3.18Å; P645-L648 HydrophobicContact CG-CD1 4.35Å; P645-L648 HydrophobicContact CG-CG 4.33Å; P645-L648 PolarHBondContact O-N 2.93Å
646	D	93.8	Very high	93.5	Very high	171 Å²	171	47.2 Å²	47.2	91%	0.914	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-13.8	-173.9	-48.5	-56.8	0	0	0	114.6	L648	D646-L648 PolarHBondContact O-N 3.19Å
647	S	94	Very high	93.6	Very high	91 Å²	91	52.8 Å²	52.8	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.1	169.5	64.7	0	0	0	0	115.6	P645	P645-S647 PolarHBondContact O-N 3.18Å
648	L	95.4	Very high	93.7	Very high	21 Å²	21	53.7 Å²	53.7	11%	0.11	30%	0.304	C	S	.	.	S	Bend	trans	-100	149.1	176.3	-63.5	-179.6	0	0	0	110.4	L618 T619 P644 P645 D646	L618-L648 HydrophobicContact CB-CD1 3.99Å; L618-L648 HydrophobicContact CB-CD2 4.05Å; L618-L648 HydrophobicContact CD1-CD1 4.33Å; L618-L648 HydrophobicContact CD2-CD2 4.43Å; T619-L648 HydrophobicContact CG2-CD1 4.36Å; P644-L648 HydrophobicContact CB-CD1 4.25Å; P645-L648 HydrophobicContact CG-CD1 4.35Å; P645-L648 HydrophobicContact CG-CG 4.33Å; P645-L648 PolarHBondContact O-N 2.93Å; D646-L648 PolarHBondContact O-N 3.19Å
649	S	95	Very high	94	Very high	36 Å²	36	50 Å²	50	25%	0.252	28%	0.284	S	S	.	.			trans	-60.8	145.8	177.6	72.4	0	0	0	0	111.4	E407 A651 A652 A653	E407-S649 WeakPolarHBondContact OE1-CB 3.24Å; E407-S649 PolarHBondContact OE1-N 3.1Å; E407-S649 PolarHBondContact OE1-OG 2.88Å; E407-S649 WeakPolarHBondContact OE2-CB 3.47Å; E407-S649 PolarHBondContact OE2-OG 3.48Å; S649-A651 PolarHBondContact O-N 2.94Å; S649-A651 VanDerWaalsContact O-N 3.13Å; S649-A652 WeakPolarHBondContact O-CB 3.34Å; S649-A652 PolarHBondContact O-N 2.78Å; S649-A652 WeakPolarHBondContact OG-CB 3.42Å; S649-A652 PolarHBondContact OG-N 3.15Å; S649-A653 PolarHBondContact O-N 3.06Å
650	P	93.5	Very high	94.5	Very high	93 Å²	93	47 Å²	47	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-53.1	-36.3	175.9	-28.8	35.7	0	0	0	112.7	A653 D654 T696	P650-A653 PolarHBondContact O-N 2.94Å; P650-D654 WeakPolarHBondContact O-CB 3.37Å; P650-D654 PolarHBondContact O-N 3.36Å; P650-T696 PolarHBondContact O-OG1 2.88Å
651	A	93.2	Very high	94.8	Very high	16 Å²	16	43.9 Å²	43.9	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-67.3	-36.1	177	0	0	0	0	0	113.3	S649 L655 T696 W697 W700	S649-A651 PolarHBondContact O-N 2.94Å; S649-A651 VanDerWaalsContact O-N 3.13Å; A651-L655 WeakPolarHBondContact O-CB 3.3Å; A651-L655 PolarHBondContact O-N 2.92Å; A651-T696 WeakPolarHBondContact CA-OG1 3.41Å; A651-T696 WeakPolarHBondContact CB-O 3.41Å; A651-T696 PolarHBondContact N-OG1 2.73Å; A651-W697 WeakPolarHBondContact O-CA 3.31Å; A651-W700 HydrophobicContact CB-CB 3.92Å; A651-W700 HydrophobicContact CB-CG 4.44Å
652	A	96.2	Very high	95	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-68.7	-44.3	172.8	0	0	0	0	0	111.6	L618 S649 L655 Y656	L618-A652 HydrophobicContact CD1-CB 4.04Å; S649-A652 WeakPolarHBondContact O-CB 3.34Å; S649-A652 PolarHBondContact O-N 2.78Å; S649-A652 WeakPolarHBondContact OG-CB 3.42Å; S649-A652 PolarHBondContact OG-N 3.15Å; A652-L655 PolarHBondContact O-N 2.79Å; A652-Y656 PolarHBondContact O-N 3.28Å; A652-Y656 VanDerWaalsContact O-N 3.09Å
653	A	96.1	Very high	94.9	Very high	6 Å²	6	49.6 Å²	49.6	5%	0.05	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-43.1	178.9	0	0	0	0	0	112	P644 S649 P650 Y656 R657	P644-A653 HydrophobicContact CB-CB 3.72Å; P644-A653 HydrophobicContact CG-CB 4.1Å; S649-A653 PolarHBondContact O-N 3.06Å; P650-A653 PolarHBondContact O-N 2.94Å; A653-Y656 PolarHBondContact O-N 3.05Å; A653-R657 VanDerWaalsContact O-CG 3.24Å; A653-R657 WeakPolarHBondContact O-CG 3.43Å; A653-R657 PolarHBondContact O-N 3.25Å
654	D	94.3	Very high	94.9	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-37.5	174.2	-78.7	-7.6	0	0	0	112.2	P650 Y656 R657 N658 T696 W697	P650-D654 WeakPolarHBondContact O-CB 3.37Å; P650-D654 PolarHBondContact O-N 3.36Å; D654-Y656 VanDerWaalsContact C-N 3.34Å; D654-Y656 PolarHBondContact O-N 3.27Å; D654-R657 PolarHBondContact O-N 3.45Å; D654-R657 IonicContact OD1-CZ 3.13Å; D654-R657 IonicContact OD1-NH1 3.4Å; D654-R657 PolarHBondContact OD1-NH1 3.17Å; D654-N658 WeakPolarHBondContact O-CB 3.32Å; D654-N658 PolarHBondContact O-N 3.3Å; D654-N658 PolarHBondContact O-ND2 3.19Å; D654-T696 PolarHBondContact OD2-OG1 3.43Å; D654-W697 HydrophobicContact CB-CB 3.76Å; D654-W697 HydrophobicContact CB-CG 4.43Å
655	L	96.2	Very high	94.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-43.9	178.3	-176.9	57.1	0	0	0	110.7	F414 L614 A651 A652 N658 L659 L673 W697 W700 L701	F414-L655 HydrophobicContact CD1-CD2 4.41Å; F414-L655 HydrophobicContact CE1-CD2 4.15Å; L614-L655 HydrophobicContact CD2-CB 4.18Å; L614-L655 HydrophobicContact CD2-CD2 3.76Å; L614-L655 HydrophobicContact CD2-CG 3.75Å; A651-L655 WeakPolarHBondContact O-CB 3.3Å; A651-L655 PolarHBondContact O-N 2.92Å; A652-L655 PolarHBondContact O-N 2.79Å; L655-N658 PolarHBondContact O-N 3.48Å; L655-L659 HydrophobicContact CD1-CD1 4.1Å; L655-L659 HydrophobicContact CD1-CG 4.33Å; L655-L659 HydrophobicContact CG-CD1 3.99Å; L655-L659 WeakPolarHBondContact O-CB 3.46Å; L655-L659 VanDerWaalsContact O-CG 3.29Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 3.14Å; L655-L673 HydrophobicContact CD1-CD2 3.93Å; L655-W697 HydrophobicContact CB-CB 3.8Å; L655-W697 HydrophobicContact CD1-CB 4.37Å; L655-W697 HydrophobicContact CD1-CD2 4.36Å; L655-W697 HydrophobicContact CD1-CE3 3.92Å; L655-W697 VanDerWaalsContact N-CB 3.3Å; L655-W700 HydrophobicContact CD2-CB 4.41Å; L655-W700 HydrophobicContact CD2-CD2 4.08Å; L655-W700 HydrophobicContact CD2-CE3 3.37Å; L655-W700 HydrophobicContact CD2-CZ3 3.98Å; L655-L701 HydrophobicContact CD2-CG 4.48Å
656	Y	96.9	Very high	94.9	Very high	6 Å²	6	53.6 Å²	53.6	2%	0.024	29%	0.288	C	S	.	.	H	α-helix	trans	-56.4	-55.1	170.8	169.6	-102.3	0	0	0	111.4	G611 F615 P623 P644 A652 A653 D654 N658 L659 T660	G611-Y656 WeakPolarHBondContact O-CD2 3.49Å; F615-Y656 HydrophobicContact CB-CD2 3.72Å; F615-Y656 HydrophobicContact CB-CE2 3.63Å; F615-Y656 HydrophobicContact CD2-CD1 4.19Å; F615-Y656 AromaticContact CD2-CD2 3.8Å; F615-Y656 HydrophobicContact CD2-CD2 3.8Å; F615-Y656 AromaticContact CD2-CE1 3.97Å; F615-Y656 HydrophobicContact CD2-CE1 3.97Å; F615-Y656 AromaticContact CD2-CE2 3.58Å; F615-Y656 HydrophobicContact CD2-CE2 3.58Å; F615-Y656 HydrophobicContact CD2-CG 4.09Å; F615-Y656 AromaticContact CD2-CZ 3.66Å; F615-Y656 HydrophobicContact CE2-CE1 4.32Å; F615-Y656 HydrophobicContact CG-CD2 4.22Å; F615-Y656 AromaticContact CG-CE2 3.9Å; F615-Y656 HydrophobicContact CG-CE2 3.9Å; P623-Y656 VanDerWaalsContact CB-OH 3.23Å; P623-Y656 WeakPolarHBondContact CB-OH 3.36Å; P623-Y656 HydrophobicContact CG-CE2 4.29Å; P644-Y656 HydrophobicContact CG-CD1 3.38Å; P644-Y656 HydrophobicContact CG-CE1 3.97Å; P644-Y656 HydrophobicContact CG-CG 4.14Å; A652-Y656 PolarHBondContact O-N 3.28Å; A652-Y656 VanDerWaalsContact O-N 3.09Å; A653-Y656 PolarHBondContact O-N 3.05Å; D654-Y656 VanDerWaalsContact C-N 3.34Å; D654-Y656 PolarHBondContact O-N 3.27Å; Y656-N658 VanDerWaalsContact C-N 3.26Å; Y656-N658 PolarHBondContact O-N 2.6Å; Y656-L659 PolarHBondContact O-N 2.75Å; Y656-L659 VanDerWaalsContact O-N 3.1Å; Y656-T660 HydrophobicContact CD2-CG2 3.93Å; Y656-T660 HydrophobicContact CE2-CG2 3.47Å; Y656-T660 VanDerWaalsContact CE2-CG2 3.47Å; Y656-T660 PolarHBondContact O-N 3.45Å; Y656-T660 PolarHBondContact O-OG1 3.3Å; Y656-T660 VanDerWaalsContact O-OG1 3.14Å
657	R	95.6	Very high	95	Very high	118 Å²	118	46 Å²	46	45%	0.445	25%	0.246	S	C	.	.	H	α-helix	trans	-55.2	-38.1	-178.5	-70.2	164.9	-171.5	140.5	1.8	113.2	A653 D654 T660 A661	A653-R657 VanDerWaalsContact O-CG 3.24Å; A653-R657 WeakPolarHBondContact O-CG 3.43Å; A653-R657 PolarHBondContact O-N 3.25Å; D654-R657 PolarHBondContact O-N 3.45Å; D654-R657 IonicContact OD1-CZ 3.13Å; D654-R657 IonicContact OD1-NH1 3.4Å; D654-R657 PolarHBondContact OD1-NH1 3.17Å; R657-T660 CarbonylContact O-C 3.56Å; R657-A661 PolarHBondContact O-N 2.85Å
658	N	95.3	Very high	95.1	Very high	41 Å²	41	42 Å²	42	22%	0.219	22%	0.218	C	C	.	.	H	α-helix	trans	-74.8	-39.5	179.3	-79.5	-106.9	0	0	0	111.6	D654 L655 Y656 A661 R667 P668 W697	D654-N658 WeakPolarHBondContact O-CB 3.32Å; D654-N658 PolarHBondContact O-N 3.3Å; D654-N658 PolarHBondContact O-ND2 3.19Å; L655-N658 PolarHBondContact O-N 3.48Å; Y656-N658 VanDerWaalsContact C-N 3.26Å; Y656-N658 PolarHBondContact O-N 2.6Å; N658-A661 PolarHBondContact O-N 3.02Å; N658-R667 WeakPolarHBondContact O-CA 3.41Å; N658-P668 HydrophobicContact CB-CG 4.45Å; N658-P668 WeakPolarHBondContact O-CD 3.48Å; N658-W697 VanDerWaalsContact CG-CD1 3.42Å; N658-W697 PolarHBondContact ND2-NE1 2.67Å; N658-W697 PolarHBondContact OD1-NE1 2.93Å
659	L	96.8	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-37.4	174.1	-71.2	167.4	0	0	0	112.5	F414 M607 L614 L655 Y656 R667 P668 L673	F414-L659 HydrophobicContact CE1-CD1 4.05Å; F414-L659 HydrophobicContact CZ-CD1 3.63Å; M607-L659 HydrophobicContact CB-CD2 4.35Å; M607-L659 HydrophobicContact CE-CD2 3.82Å; L614-L659 HydrophobicContact CD2-CD1 4.05Å; L655-L659 HydrophobicContact CD1-CD1 4.1Å; L655-L659 HydrophobicContact CD1-CG 4.33Å; L655-L659 HydrophobicContact CG-CD1 3.99Å; L655-L659 WeakPolarHBondContact O-CB 3.46Å; L655-L659 VanDerWaalsContact O-CG 3.29Å; L655-L659 WeakPolarHBondContact O-CG 3.41Å; L655-L659 PolarHBondContact O-N 3.14Å; Y656-L659 PolarHBondContact O-N 2.75Å; Y656-L659 VanDerWaalsContact O-N 3.1Å; L659-R667 WeakPolarHBondContact O-CD 3.35Å; L659-P668 HydrophobicContact CD2-CG 4.19Å; L659-L673 HydrophobicContact CD2-CD1 4.24Å
660	T	96.4	Very high	95.3	Very high	8 Å²	8	42.3 Å²	42.3	5%	0.049	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	31.8	176.2	68.4	0	0	0	0	113.1	W608 I612 Y656 R657	W608-T660 HydrophobicContact CD2-CG2 4.46Å; W608-T660 VanDerWaalsContact CZ3-C 3.46Å; W608-T660 WeakPolarHBondContact CZ3-O 3.21Å; I612-T660 HydrophobicContact CD1-CG2 4.06Å; Y656-T660 HydrophobicContact CD2-CG2 3.93Å; Y656-T660 HydrophobicContact CE2-CG2 3.47Å; Y656-T660 VanDerWaalsContact CE2-CG2 3.47Å; Y656-T660 PolarHBondContact O-N 3.45Å; Y656-T660 PolarHBondContact O-OG1 3.3Å; Y656-T660 VanDerWaalsContact O-OG1 3.14Å; R657-T660 CarbonylContact O-C 3.56Å
661	A	94.4	Very high	95.3	Very high	17 Å²	17	41.1 Å²	41.1	14%	0.14	21%	0.213	C	C	.	.			trans	-65.7	133.9	170.7	0	0	0	0	0	110	R657 N658 Q663 L666 R667	R657-A661 PolarHBondContact O-N 2.85Å; N658-A661 PolarHBondContact O-N 3.02Å; A661-Q663 PolarHBondContact O-N 3.37Å; A661-L666 HydrophobicContact CB-CB 3.85Å; A661-R667 HydrophobicContact CB-CG 4.1Å; A661-R667 PolarHBondContact O-NE 3.42Å; A661-R667 PolarHBondContact O-NH2 2.83Å
662	R	93	Very high	95.4	Very high	98 Å²	98	44.2 Å²	44.2	37%	0.37	23%	0.225	S	C	.	.	S	Bend	trans	-56	-52	-179	-167.7	-159.7	-166.1	100.4	4.9	111	P592 E596 L637 P664 R667	P592-R662 HydrophobicContact CB-CG 4.47Å; P592-R662 HydrophobicContact CG-CG 4.12Å; E596-R662 IonicContact OE1-CZ 2.95Å; E596-R662 IonicContact OE1-NE 3.95Å; E596-R662 IonicContact OE1-NH2 2.66Å; E596-R662 PolarHBondContact OE1-NH2 2.94Å; L637-R662 PolarHBondContact O-NH1 3.03Å; L637-R662 PolarHBondContact O-NH2 3.46Å; R662-P664 WeakPolarHBondContact O-CD 3.45Å; R662-R667 PolarHBondContact O-NH2 3.18Å
663	Q	92.6	Very high	95.3	Very high	115 Å²	115	44.3 Å²	44.3	54%	0.537	23%	0.225	S	C	.	.	S	Bend	trans	-71.7	121.9	179	-63.2	-59.1	-17.7	0	0	110.5	A661 D665 L666	A661-Q663 PolarHBondContact O-N 3.37Å; Q663-D665 VanDerWaalsContact C-N 3.28Å; Q663-D665 PolarHBondContact O-N 2.68Å; Q663-L666 HydrophobicContact CB-CD1 4.01Å; Q663-L666 HydrophobicContact CB-CG 4.04Å; Q663-L666 HydrophobicContact CG-CD1 4.49Å; Q663-L666 PolarHBondContact O-N 3.34Å; Q663-L666 VanDerWaalsContact O-N 3.15Å
664	P	95.3	Very high	95.2	Very high	22 Å²	22	45 Å²	45	14%	0.143	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.3	-32.5	-174.4	-27.6	36.4	0	0	0	114.9	E593 P604 R662 L666 R667	E593-P664 HydrophobicContact CG-CG 4.39Å; P604-P664 HydrophobicContact CB-CB 3.73Å; P604-P664 HydrophobicContact CG-CB 4.23Å; R662-P664 WeakPolarHBondContact O-CD 3.45Å; P664-L666 VanDerWaalsContact C-N 3.27Å; P664-L666 PolarHBondContact O-N 3.16Å; P664-R667 WeakPolarHBondContact O-CB 3.26Å; P664-R667 PolarHBondContact O-N 3.48Å
665	D	94.2	Very high	95	Very high	112 Å²	112	49.1 Å²	49.1	60%	0.599	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-74.1	-13.2	-179.1	-59.4	-83.5	0	0	0	114.3	R601 Q663 R667	R601-D665 IonicContact CZ-OD1 2.7Å; R601-D665 VanDerWaalsContact CZ-OD1 3.22Å; R601-D665 IonicContact CZ-OD2 3.22Å; R601-D665 IonicContact NH1-OD1 3.66Å; R601-D665 PolarHBondContact NH1-OD1 3.25Å; R601-D665 IonicContact NH2-OD1 3.83Å; R601-D665 PolarHBondContact NH2-OD1 3.34Å; R601-D665 IonicContact NH2-OD2 2.81Å; R601-D665 PolarHBondContact NH2-OD2 3.39Å; Q663-D665 VanDerWaalsContact C-N 3.28Å; Q663-D665 PolarHBondContact O-N 2.68Å; D665-R667 VanDerWaalsContact C-N 3.34Å
666	L	94.8	Very high	94.5	Very high	119 Å²	119	53.5 Å²	53.5	62%	0.623	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-85.8	-8.1	173.4	-60.3	-178	0	0	0	112.5	A661 Q663 P664	A661-L666 HydrophobicContact CB-CB 3.85Å; Q663-L666 HydrophobicContact CB-CD1 4.01Å; Q663-L666 HydrophobicContact CB-CG 4.04Å; Q663-L666 HydrophobicContact CG-CD1 4.49Å; Q663-L666 PolarHBondContact O-N 3.34Å; Q663-L666 VanDerWaalsContact O-N 3.15Å; P664-L666 VanDerWaalsContact C-N 3.27Å; P664-L666 PolarHBondContact O-N 3.16Å
667	R	96.4	Very high	94	Very high	10 Å²	10	53.2 Å²	53.2	4%	0.038	26%	0.261	C	S	.	.	S	Bend	trans	-83	127.1	179.9	-56	178.4	-163.1	149.1	11.8	109.8	E593 P604 N658 L659 A661 R662 P664 D665	E593-R667 IonicContact OE1-CZ 3.63Å; E593-R667 IonicContact OE1-NH1 2.63Å; E593-R667 PolarHBondContact OE1-NH1 2.76Å; E593-R667 IonicContact OE1-NH2 2.72Å; E593-R667 PolarHBondContact OE1-NH2 3.34Å; E593-R667 IonicContact OE2-CZ 2.7Å; E593-R667 IonicContact OE2-NH1 2.74Å; E593-R667 PolarHBondContact OE2-NH1 2.94Å; E593-R667 IonicContact OE2-NH2 3.92Å; E593-R667 PolarHBondContact OE2-NH2 3.4Å; P604-R667 WeakPolarHBondContact O-CD 3.19Å; P604-R667 PolarHBondContact O-NH1 3.13Å; N658-R667 WeakPolarHBondContact O-CA 3.41Å; L659-R667 WeakPolarHBondContact O-CD 3.35Å; A661-R667 HydrophobicContact CB-CG 4.1Å; A661-R667 PolarHBondContact O-NE 3.42Å; A661-R667 PolarHBondContact O-NH2 2.83Å; R662-R667 PolarHBondContact O-NH2 3.18Å; P664-R667 WeakPolarHBondContact O-CB 3.26Å; P664-R667 PolarHBondContact O-N 3.48Å; D665-R667 VanDerWaalsContact C-N 3.34Å
668	P	95.7	Very high	93.5	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.045	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-66.7	139.5	178.2	27.8	-34.1	0	0	0	110.8	M607 N658 L659 L673 W697	M607-P668 WeakPolarHBondContact CE-O 3.01Å; N658-P668 HydrophobicContact CB-CG 4.45Å; N658-P668 WeakPolarHBondContact O-CD 3.48Å; L659-P668 HydrophobicContact CD2-CG 4.19Å; P668-L673 HydrophobicContact CB-CD2 3.85Å; P668-L673 HydrophobicContact CB-CG 4.23Å; P668-L673 HydrophobicContact CG-CD2 3.77Å; P668-L673 HydrophobicContact CG-CG 4.37Å; P668-W697 HydrophobicContact CB-CH2 3.96Å; P668-W697 HydrophobicContact CB-CZ2 4.3Å; P668-W697 HydrophobicContact CG-CH2 4.33Å; P668-W697 HydrophobicContact CG-CZ2 4.45Å
669	T	96.7	Very high	92.4	Very high	63 Å²	63	55.3 Å²	55.3	39%	0.387	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-75.4	156.5	174.7	73.1	0	0	0	0	111.2	S671 Q672 L673	T669-S671 PolarHBondContact O-N 3.19Å; T669-Q672 WeakPolarHBondContact O-CB 3.42Å; T669-Q672 PolarHBondContact O-N 3.12Å; T669-Q672 WeakPolarHBondContact OG1-CG 3.42Å; T669-Q672 PolarHBondContact OG1-N 3.39Å; T669-L673 WeakPolarHBondContact O-CG 3.39Å; T669-L673 PolarHBondContact O-N 3.13Å
670	A	96.9	Very high	90.8	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-56.2	-37.9	176.7	0	0	0	0	0	112.4	I418 V421 N422 M607 L673 I674	I418-A670 HydrophobicContact CG2-CB 4.15Å; V421-A670 HydrophobicContact CG1-CB 4.4Å; N422-A670 HydrophobicContact CB-CB 3.74Å; M607-A670 HydrophobicContact CE-CB 4.21Å; M607-A670 HydrophobicContact SD-CB 3.97Å; A670-L673 PolarHBondContact O-N 3.14Å; A670-I674 VanDerWaalsContact O-CG1 3.31Å; A670-I674 WeakPolarHBondContact O-CG1 3.42Å; A670-I674 PolarHBondContact O-N 2.94Å
671	S	95.4	Very high	89	Confident	68 Å²	68	62.8 Å²	62.8	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-42.5	174.4	-173	0	0	0	0	112.6	N422 T669 I674 K675	N422-S671 WeakPolarHBondContact OD1-CA 3.35Å; N422-S671 VanDerWaalsContact OD1-CB 3.28Å; N422-S671 WeakPolarHBondContact OD1-CB 3.39Å; N422-S671 PolarHBondContact OD1-N 2.85Å; N422-S671 VanDerWaalsContact OD1-N 3.14Å; T669-S671 PolarHBondContact O-N 3.19Å; S671-I674 PolarHBondContact O-N 2.91Å; S671-K675 WeakPolarHBondContact O-CB 3.44Å; S671-K675 PolarHBondContact O-N 3.46Å
672	Q	94	Very high	87.2	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	33%	0.331	S	S	.	.	H	α-helix	trans	-62.8	-44.4	174.7	-74.7	168.1	-17.4	0	0	111.6	T669 I674 K675 Y676	T669-Q672 WeakPolarHBondContact O-CB 3.42Å; T669-Q672 PolarHBondContact O-N 3.12Å; T669-Q672 WeakPolarHBondContact OG1-CG 3.42Å; T669-Q672 PolarHBondContact OG1-N 3.39Å; Q672-I674 PolarHBondContact O-N 3.36Å; Q672-K675 WeakPolarHBondContact O-CB 3.44Å; Q672-K675 PolarHBondContact O-N 2.94Å; Q672-K675 VanDerWaalsContact O-N 3.16Å; Q672-Y676 HydrophobicContact CB-CD2 4.39Å; Q672-Y676 HydrophobicContact CB-CE2 4.03Å; Q672-Y676 WeakPolarHBondContact O-CD2 3.46Å; Q672-Y676 PolarHBondContact O-N 3.4Å
673	L	94.2	Very high	85.4	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-45.4	176.8	-65.6	178.5	0	0	0	112.1	I418 M607 L655 L659 P668 T669 A670 A677 W697 L701	I418-L673 HydrophobicContact CD1-CD1 3.58Å; I418-L673 HydrophobicContact CG1-CD1 4.01Å; I418-L673 HydrophobicContact CG2-CB 4.06Å; I418-L673 HydrophobicContact CG2-CD1 4.39Å; M607-L673 HydrophobicContact CE-CD1 3.65Å; L655-L673 HydrophobicContact CD1-CD2 3.93Å; L659-L673 HydrophobicContact CD2-CD1 4.24Å; P668-L673 HydrophobicContact CB-CD2 3.85Å; P668-L673 HydrophobicContact CB-CG 4.23Å; P668-L673 HydrophobicContact CG-CD2 3.77Å; P668-L673 HydrophobicContact CG-CG 4.37Å; T669-L673 WeakPolarHBondContact O-CG 3.39Å; T669-L673 PolarHBondContact O-N 3.13Å; A670-L673 PolarHBondContact O-N 3.14Å; L673-A677 VanDerWaalsContact O-CB 3.3Å; L673-A677 WeakPolarHBondContact O-CB 3.29Å; L673-A677 PolarHBondContact O-N 3.43Å; L673-A677 VanDerWaalsContact O-N 3.11Å; L673-W697 HydrophobicContact CD2-CE3 4.1Å; L673-W697 HydrophobicContact CD2-CH2 4.06Å; L673-W697 HydrophobicContact CD2-CZ3 3.47Å; L673-W697 VanDerWaalsContact CD2-CZ3 3.47Å; L673-L701 HydrophobicContact CB-CD1 4.29Å
674	I	93.3	Very high	83.7	Confident	22 Å²	22	69.4 Å²	69.4	11%	0.113	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-46.3	174.6	-66.9	167.6	0	0	0	110.3	I418 N422 A670 S671 Q672 A677 Q678 F706	I418-I674 HydrophobicContact CG2-CD1 4.13Å; I418-I674 HydrophobicContact CG2-CG1 3.7Å; N422-I674 HydrophobicContact CB-CD1 3.56Å; A670-I674 VanDerWaalsContact O-CG1 3.31Å; A670-I674 WeakPolarHBondContact O-CG1 3.42Å; A670-I674 PolarHBondContact O-N 2.94Å; S671-I674 PolarHBondContact O-N 2.91Å; Q672-I674 PolarHBondContact O-N 3.36Å; I674-A677 PolarHBondContact O-N 2.86Å; I674-Q678 HydrophobicContact CG2-CG 4.39Å; I674-Q678 VanDerWaalsContact CG2-NE2 3.29Å; I674-Q678 WeakPolarHBondContact O-CB 3.18Å; I674-Q678 VanDerWaalsContact O-CG 3.3Å; I674-Q678 WeakPolarHBondContact O-CG 3.4Å; I674-Q678 PolarHBondContact O-N 2.87Å; I674-F706 HydrophobicContact CD1-CD1 4.39Å; I674-F706 HydrophobicContact CG1-CD1 3.66Å; I674-F706 HydrophobicContact CG1-CD2 4.47Å; I674-F706 HydrophobicContact CG1-CE1 3.87Å; I674-F706 HydrophobicContact CG1-CG 3.98Å; I674-F706 HydrophobicContact CG1-CZ 4.37Å; I674-F706 HydrophobicContact CG2-CD2 4.13Å; I674-F706 HydrophobicContact CG2-CG 4.22Å
675	K	90	Very high	82.1	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-51.5	179.6	-171.3	178.7	-179.9	-178.7	0	111.4	S671 Q672 A677 Q678 F679	S671-K675 WeakPolarHBondContact O-CB 3.44Å; S671-K675 PolarHBondContact O-N 3.46Å; Q672-K675 WeakPolarHBondContact O-CB 3.44Å; Q672-K675 PolarHBondContact O-N 2.94Å; Q672-K675 VanDerWaalsContact O-N 3.16Å; K675-A677 PolarHBondContact O-N 3.11Å; K675-Q678 PolarHBondContact O-N 2.91Å; K675-F679 HydrophobicContact CD-CE2 4.35Å; K675-F679 HydrophobicContact CG-CD2 3.59Å; K675-F679 HydrophobicContact CG-CE2 3.76Å; K675-F679 WeakPolarHBondContact O-CB 3.44Å; K675-F679 WeakPolarHBondContact O-CD2 3.41Å; K675-F679 PolarHBondContact O-N 3.18Å
676	Y	85.8	Confident	80.3	Confident	93 Å²	93	71.2 Å²	71.2	37%	0.365	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-44	-179.5	-67.8	-59.7	0	0	0	112.4	Q672 Q678 F679 A680 W697 T698	Q672-Y676 HydrophobicContact CB-CD2 4.39Å; Q672-Y676 HydrophobicContact CB-CE2 4.03Å; Q672-Y676 WeakPolarHBondContact O-CD2 3.46Å; Q672-Y676 PolarHBondContact O-N 3.4Å; Y676-Q678 VanDerWaalsContact C-N 3.3Å; Y676-Q678 PolarHBondContact O-N 3.49Å; Y676-F679 PolarHBondContact O-N 2.83Å; Y676-A680 PolarHBondContact O-N 2.93Å; Y676-W697 AromaticContact CD2-CH2 3.47Å; Y676-W697 HydrophobicContact CD2-CH2 3.47Å; Y676-W697 VanDerWaalsContact CD2-CH2 3.47Å; Y676-W697 AromaticContact CD2-CZ3 3.79Å; Y676-W697 HydrophobicContact CD2-CZ3 3.79Å; Y676-W697 AromaticContact CE2-CH2 3.63Å; Y676-W697 HydrophobicContact CE2-CH2 3.63Å; Y676-W697 HydrophobicContact CE2-CZ2 4.43Å; Y676-W697 HydrophobicContact CE2-CZ3 4.41Å; Y676-W697 HydrophobicContact CG-CH2 4.4Å; Y676-W697 HydrophobicContact CG-CZ3 4.45Å; Y676-T698 HydrophobicContact CD1-CG2 4.34Å; Y676-T698 HydrophobicContact CG-CG2 4.23Å
677	A	87.8	Confident	78.8	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-33.8	177.6	0	0	0	0	0	113.8	L673 I674 K675 L701 F706	L673-A677 VanDerWaalsContact O-CB 3.3Å; L673-A677 WeakPolarHBondContact O-CB 3.29Å; L673-A677 PolarHBondContact O-N 3.43Å; L673-A677 VanDerWaalsContact O-N 3.11Å; I674-A677 PolarHBondContact O-N 2.86Å; K675-A677 PolarHBondContact O-N 3.11Å; A677-L701 HydrophobicContact CB-CB 3.66Å; A677-L701 WeakPolarHBondContact CB-O 3.41Å; A677-F706 HydrophobicContact CB-CE2 3.48Å; A677-F706 VanDerWaalsContact CB-CE2 3.48Å; A677-F706 HydrophobicContact CB-CZ 3.54Å
678	Q	84.1	Confident	77.1	Confident	101 Å²	101	74.6 Å²	74.6	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-80	-41.3	175	-70.9	177.2	3.3	0	0	112.7	I674 K675 Y676 A680 R681	I674-Q678 HydrophobicContact CG2-CG 4.39Å; I674-Q678 VanDerWaalsContact CG2-NE2 3.29Å; I674-Q678 WeakPolarHBondContact O-CB 3.18Å; I674-Q678 VanDerWaalsContact O-CG 3.3Å; I674-Q678 WeakPolarHBondContact O-CG 3.4Å; I674-Q678 PolarHBondContact O-N 2.87Å; K675-Q678 PolarHBondContact O-N 2.91Å; Y676-Q678 VanDerWaalsContact C-N 3.3Å; Y676-Q678 PolarHBondContact O-N 3.49Å; Q678-A680 PolarHBondContact O-N 2.82Å; Q678-R681 VanDerWaalsContact O-CB 3.23Å; Q678-R681 WeakPolarHBondContact O-CB 3.31Å; Q678-R681 PolarHBondContact O-N 3.22Å
679	F	72.3	Confident	75.3	Confident	102 Å²	102	78.7 Å²	78.7	45%	0.447	39%	0.394	S	S	.	.	H	α-helix	trans	-71.9	-8.4	178.1	-90.4	-95	0	0	0	113.5	K675 Y676 R681 R692	K675-F679 HydrophobicContact CD-CE2 4.35Å; K675-F679 HydrophobicContact CG-CD2 3.59Å; K675-F679 HydrophobicContact CG-CE2 3.76Å; K675-F679 WeakPolarHBondContact O-CB 3.44Å; K675-F679 WeakPolarHBondContact O-CD2 3.41Å; K675-F679 PolarHBondContact O-N 3.18Å; Y676-F679 PolarHBondContact O-N 2.83Å; F679-R681 VanDerWaalsContact C-N 3.3Å; F679-R692 PolarHBondContact O-NH2 3.3Å
680	A	64.3	Low	73.3	Confident	21 Å²	21	79.9 Å²	79.9	17%	0.174	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.9	168	0	0	0	0	0	113.4	Y676 Q678 T702	Y676-A680 PolarHBondContact O-N 2.93Å; Q678-A680 PolarHBondContact O-N 2.82Å; A680-T702 HydrophobicContact CB-CG2 3.57Å; A680-T702 WeakPolarHBondContact CB-OG1 3.35Å
681	R	58.9	Low	71.2	Confident	143 Å²	143	86 Å²	86	54%	0.54	43%	0.433	S	S	.	.	S	Bend	trans	-103.9	-3.5	-179.7	-128.1	-173.1	-178.7	131.6	1.7	114.1	Q678 F679 G703 Q704	Q678-R681 VanDerWaalsContact O-CB 3.23Å; Q678-R681 WeakPolarHBondContact O-CB 3.31Å; Q678-R681 PolarHBondContact O-N 3.22Å; F679-R681 VanDerWaalsContact C-N 3.3Å; R681-G703 VanDerWaalsContact NH1-C 3.35Å; R681-G703 PolarHBondContact NH1-O 3.41Å; R681-G703 PolarHBondContact NH2-O 3.06Å; R681-Q704 PolarHBondContact NH1-O 3.19Å
682	K	56.6	Low	69.2	Low	159 Å²	159	85.6 Å²	85.6	69%	0.691	42%	0.421	S	S	*	.	S	Bend	trans	-108.5	149.1	173.4	-67.2	-169.6	173.3	-167.8	0	108.4	L684	K682-L684 PolarHBondContact O-N 3.49Å; K682-L684 VanDerWaalsContact O-N 3.09Å
683	D	54.3	Low	67.2	Low	167 Å²	167	89.1 Å²	89.1	89%	0.893	44%	0.437	S	S	*	.			trans	-59.2	113.1	-177.7	-52.3	-74.9	0	0	0	110.5
684	L	56.7	Low	65.2	Low	44 Å²	44	100.3 Å²	100.3	23%	0.23	48%	0.479	C	S	.	.			trans	-83.3	132	-178.5	-71.1	163.6	0	0	0	109.4	K682 E688 I689	K682-L684 PolarHBondContact O-N 3.49Å; K682-L684 VanDerWaalsContact O-N 3.09Å; L684-E688 HydrophobicContact CB-CB 4.41Å; L684-E688 HydrophobicContact CD2-CB 3.98Å; L684-I689 HydrophobicContact CB-CD1 4.16Å; L684-I689 HydrophobicContact CB-CG1 3.67Å; L684-I689 HydrophobicContact CD1-CG1 4.43Å
685	T	62.5	Low	63.8	Low	68 Å²	68	101 Å²	101	42%	0.417	49%	0.486	S	S	.	.			trans	-61.3	148.9	170.1	62.1	0	0	0	0	109.7	I687 E688 I689	T685-I687 PolarHBondContact O-N 3.42Å; T685-E688 WeakPolarHBondContact CB-OE2 3.33Å; T685-E688 WeakPolarHBondContact CG2-OE2 3.44Å; T685-E688 PolarHBondContact N-OE2 3.03Å; T685-E688 PolarHBondContact O-N 3.49Å; T685-E688 VanDerWaalsContact OG1-CG 3.29Å; T685-E688 WeakPolarHBondContact OG1-CG 3.48Å; T685-E688 PolarHBondContact OG1-N 3.27Å; T685-E688 PolarHBondContact OG1-OE2 3.13Å; T685-I689 PolarHBondContact O-N 3.08Å
686	P	56	Low	63.3	Low	104 Å²	104	98.1 Å²	98.1	68%	0.675	48%	0.478	S	S	*	.	H	α-helix	trans	-54.3	-31.4	177.3	-29.1	36.3	0	0	0	113.2	I689 V690	P686-I689 PolarHBondContact O-N 3.46Å; P686-V690 WeakPolarHBondContact O-CG2 3.36Å; P686-V690 PolarHBondContact O-N 3.05Å
687	I	61.9	Low	63.3	Low	123 Å²	123	94.6 Å²	94.6	63%	0.631	46%	0.464	S	S	*	.	H	α-helix	trans	-65.7	-44.5	174.7	-64.8	171.9	0	0	0	111.3	T685 I689 V690 L691	T685-I687 PolarHBondContact O-N 3.42Å; I687-I689 VanDerWaalsContact C-N 3.32Å; I687-I689 PolarHBondContact O-N 3.37Å; I687-V690 PolarHBondContact O-N 2.92Å; I687-L691 HydrophobicContact CG2-CD1 3.86Å; I687-L691 HydrophobicContact CG2-CG 4.36Å; I687-L691 WeakPolarHBondContact O-CB 3.42Å; I687-L691 VanDerWaalsContact O-CG 3.28Å; I687-L691 WeakPolarHBondContact O-CG 3.36Å; I687-L691 PolarHBondContact O-N 2.96Å
688	E	60.9	Low	62.9	Low	76 Å²	76	95.3 Å²	95.3	36%	0.355	47%	0.469	S	S	.	.	H	α-helix	trans	-65.5	-33.6	174.7	-72.2	166.7	107.4	0	0	112.6	L684 T685 R692	L684-E688 HydrophobicContact CB-CB 4.41Å; L684-E688 HydrophobicContact CD2-CB 3.98Å; T685-E688 WeakPolarHBondContact CB-OE2 3.33Å; T685-E688 WeakPolarHBondContact CG2-OE2 3.44Å; T685-E688 PolarHBondContact N-OE2 3.03Å; T685-E688 PolarHBondContact O-N 3.49Å; T685-E688 VanDerWaalsContact OG1-CG 3.29Å; T685-E688 WeakPolarHBondContact OG1-CG 3.48Å; T685-E688 PolarHBondContact OG1-N 3.27Å; T685-E688 PolarHBondContact OG1-OE2 3.13Å; E688-R692 VanDerWaalsContact O-CB 3.26Å; E688-R692 WeakPolarHBondContact O-CB 3.35Å; E688-R692 WeakPolarHBondContact O-CG 3.45Å; E688-R692 PolarHBondContact O-N 3.21Å
689	I	58.4	Low	62.9	Low	94 Å²	94	94.9 Å²	94.9	48%	0.482	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-44.8	174.5	-61.6	174.5	0	0	0	110.3	L684 T685 P686 I687 R692	L684-I689 HydrophobicContact CB-CD1 4.16Å; L684-I689 HydrophobicContact CB-CG1 3.67Å; L684-I689 HydrophobicContact CD1-CG1 4.43Å; T685-I689 PolarHBondContact O-N 3.08Å; P686-I689 PolarHBondContact O-N 3.46Å; I687-I689 VanDerWaalsContact C-N 3.32Å; I687-I689 PolarHBondContact O-N 3.37Å; I689-R692 PolarHBondContact O-N 2.91Å
690	V	55.1	Low	63.9	Low	88 Å²	88	90.3 Å²	90.3	53%	0.533	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-44	175.8	171.3	0	0	0	0	111.5	P686 I687 R692 Q693	P686-V690 WeakPolarHBondContact O-CG2 3.36Å; P686-V690 PolarHBondContact O-N 3.05Å; I687-V690 PolarHBondContact O-N 2.92Å; V690-R692 VanDerWaalsContact C-N 3.26Å; V690-R692 PolarHBondContact O-N 3.44Å; V690-Q693 WeakPolarHBondContact O-CB 3.48Å; V690-Q693 WeakPolarHBondContact O-CG 3.46Å; V690-Q693 PolarHBondContact O-N 3.05Å
691	L	52.5	Low	65.2	Low	130 Å²	130	89.5 Å²	89.5	68%	0.681	44%	0.443	S	S	*	.	H	α-helix	trans	-66	-26.6	176.3	-69.5	173	0	0	0	113	I687 Q693	I687-L691 HydrophobicContact CG2-CD1 3.86Å; I687-L691 HydrophobicContact CG2-CG 4.36Å; I687-L691 WeakPolarHBondContact O-CB 3.42Å; I687-L691 VanDerWaalsContact O-CG 3.28Å; I687-L691 WeakPolarHBondContact O-CG 3.36Å; I687-L691 PolarHBondContact O-N 2.96Å; L691-Q693 VanDerWaalsContact C-N 3.29Å; L691-Q693 PolarHBondContact O-N 3.36Å
692	R	54.5	Low	66.5	Low	59 Å²	59	85.2 Å²	85.2	22%	0.223	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-75.5	-6.2	174.6	-82	179	-175.2	-145.9	10.4	114.9	F679 E688 I689 V690 R694 S695	F679-R692 PolarHBondContact O-NH2 3.3Å; E688-R692 VanDerWaalsContact O-CB 3.26Å; E688-R692 WeakPolarHBondContact O-CB 3.35Å; E688-R692 WeakPolarHBondContact O-CG 3.45Å; E688-R692 PolarHBondContact O-N 3.21Å; I689-R692 PolarHBondContact O-N 2.91Å; V690-R692 VanDerWaalsContact C-N 3.26Å; V690-R692 PolarHBondContact O-N 3.44Å; R692-R694 PolarHBondContact O-N 3.42Å; R692-S695 PolarHBondContact O-N 2.98Å
693	Q	50.6	Low	67.6	Low	156 Å²	156	79 Å²	79	73%	0.729	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-60.7	-2.1	-179.4	-71.1	-175.4	1.5	0	0	115.2	V690 L691	V690-Q693 WeakPolarHBondContact O-CB 3.48Å; V690-Q693 WeakPolarHBondContact O-CG 3.46Å; V690-Q693 PolarHBondContact O-N 3.05Å; L691-Q693 VanDerWaalsContact C-N 3.29Å; L691-Q693 PolarHBondContact O-N 3.36Å
694	R	53	Low	69.3	Low	237 Å²	237	72.6 Å²	72.6	89%	0.894	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-89.6	-1.7	-180	-77.7	-175.2	161.6	149.4	-1.7	116.8	R692	R692-R694 PolarHBondContact O-N 3.42Å
695	S	63.8	Low	70.7	Confident	37 Å²	37	75 Å²	75	26%	0.259	40%	0.395	S	S	.	.			trans	-163.6	116.2	167.7	-95.4	0	0	0	0	115.2	R692 W697 T698	R692-S695 PolarHBondContact O-N 2.98Å; S695-W697 VanDerWaalsContact C-N 3.28Å; S695-W697 VanDerWaalsContact CB-CD1 3.46Å; S695-W697 PolarHBondContact O-N 3.39Å; S695-W697 PolarHBondContact OG-NE1 3.25Å; S695-T698 PolarHBondContact O-N 3.2Å; S695-T698 PolarHBondContact O-OG1 3.39Å
696	T	79.3	Confident	72.1	Confident	58 Å²	58	73.1 Å²	73.1	36%	0.356	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-66.9	-28.6	-179.4	75	0	0	0	0	112.7	P650 A651 D654 T698 N699	P650-T696 PolarHBondContact O-OG1 2.88Å; A651-T696 WeakPolarHBondContact CA-OG1 3.41Å; A651-T696 WeakPolarHBondContact CB-O 3.41Å; A651-T696 PolarHBondContact N-OG1 2.73Å; D654-T696 PolarHBondContact OD2-OG1 3.43Å; T696-T698 PolarHBondContact O-N 3.04Å; T696-T698 VanDerWaalsContact O-N 3.15Å; T696-N699 WeakPolarHBondContact O-CB 3.35Å; T696-N699 PolarHBondContact O-N 3.23Å
697	W	85.3	Confident	73.8	Confident	19 Å²	19	70.2 Å²	70.2	7%	0.072	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-58.7	-29.1	-178.9	68.6	-105.7	0	0	0	114.6	A651 D654 L655 N658 P668 L673 Y676 S695 N699 W700	A651-W697 WeakPolarHBondContact O-CA 3.31Å; D654-W697 HydrophobicContact CB-CB 3.76Å; D654-W697 HydrophobicContact CB-CG 4.43Å; L655-W697 HydrophobicContact CB-CB 3.8Å; L655-W697 HydrophobicContact CD1-CB 4.37Å; L655-W697 HydrophobicContact CD1-CD2 4.36Å; L655-W697 HydrophobicContact CD1-CE3 3.92Å; L655-W697 VanDerWaalsContact N-CB 3.3Å; N658-W697 VanDerWaalsContact CG-CD1 3.42Å; N658-W697 PolarHBondContact ND2-NE1 2.67Å; N658-W697 PolarHBondContact OD1-NE1 2.93Å; P668-W697 HydrophobicContact CB-CH2 3.96Å; P668-W697 HydrophobicContact CB-CZ2 4.3Å; P668-W697 HydrophobicContact CG-CH2 4.33Å; P668-W697 HydrophobicContact CG-CZ2 4.45Å; L673-W697 HydrophobicContact CD2-CE3 4.1Å; L673-W697 HydrophobicContact CD2-CH2 4.06Å; L673-W697 HydrophobicContact CD2-CZ3 3.47Å; L673-W697 VanDerWaalsContact CD2-CZ3 3.47Å; Y676-W697 AromaticContact CD2-CH2 3.47Å; Y676-W697 HydrophobicContact CD2-CH2 3.47Å; Y676-W697 VanDerWaalsContact CD2-CH2 3.47Å; Y676-W697 AromaticContact CD2-CZ3 3.79Å; Y676-W697 HydrophobicContact CD2-CZ3 3.79Å; Y676-W697 AromaticContact CE2-CH2 3.63Å; Y676-W697 HydrophobicContact CE2-CH2 3.63Å; Y676-W697 HydrophobicContact CE2-CZ2 4.43Å; Y676-W697 HydrophobicContact CE2-CZ3 4.41Å; Y676-W697 HydrophobicContact CG-CH2 4.4Å; Y676-W697 HydrophobicContact CG-CZ3 4.45Å; S695-W697 VanDerWaalsContact C-N 3.28Å; S695-W697 VanDerWaalsContact CB-CD1 3.46Å; S695-W697 PolarHBondContact O-N 3.39Å; S695-W697 PolarHBondContact OG-NE1 3.25Å; W697-N699 PolarHBondContact O-N 2.95Å; W697-N699 VanDerWaalsContact O-N 3.13Å; W697-W700 WeakPolarHBondContact O-CB 3.34Å; W697-W700 PolarHBondContact O-N 3.06Å
698	T	81.1	Confident	75.1	Confident	15 Å²	15	72.6 Å²	72.6	9%	0.092	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.2	178.6	58.1	0	0	0	0	111.4	Y676 S695 T696	Y676-T698 HydrophobicContact CD1-CG2 4.34Å; Y676-T698 HydrophobicContact CG-CG2 4.23Å; S695-T698 PolarHBondContact O-N 3.2Å; S695-T698 PolarHBondContact O-OG1 3.39Å; T696-T698 PolarHBondContact O-N 3.04Å; T696-T698 VanDerWaalsContact O-N 3.15Å
699	N	84.1	Confident	76.3	Confident	92 Å²	92	71.8 Å²	71.8	49%	0.492	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-78	-21.9	178.1	-64.8	-21.9	0	0	0	113.2	T696 W697 L701 T702	T696-N699 WeakPolarHBondContact O-CB 3.35Å; T696-N699 PolarHBondContact O-N 3.23Å; W697-N699 PolarHBondContact O-N 2.95Å; W697-N699 VanDerWaalsContact O-N 3.13Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.96Å; N699-T702 WeakPolarHBondContact CA-OG1 3.29Å; N699-T702 WeakPolarHBondContact O-CB 3.31Å; N699-T702 PolarHBondContact O-N 2.81Å; N699-T702 PolarHBondContact O-OG1 3.02Å
700	W	92.5	Very high	77.4	Confident	6 Å²	6	68.5 Å²	68.5	2%	0.023	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.2	-171.7	-165.1	76.8	0	0	0	114.3	E407 R411 F414 L614 L618 A651 L655 W697	E407-W700 HydrophobicContact CB-CZ2 4.33Å; E407-W700 HydrophobicContact CG-CZ2 4.25Å; E407-W700 PolarHBondContact OE2-NE1 2.69Å; R411-W700 HydrophobicContact CB-CH2 3.9Å; R411-W700 HydrophobicContact CB-CZ2 4.15Å; R411-W700 HydrophobicContact CB-CZ3 4.21Å; R411-W700 WeakPolarHBondContact CD-O 3.46Å; R411-W700 HydrophobicContact CG-CE3 4.39Å; R411-W700 HydrophobicContact CG-CH2 4.42Å; R411-W700 HydrophobicContact CG-CZ3 4.26Å; R411-W700 PolarHBondContact NE-O 2.93Å; F414-W700 HydrophobicContact CB-CZ3 4.19Å; F414-W700 HydrophobicContact CD1-CZ3 4.16Å; F414-W700 HydrophobicContact CG-CZ3 4.45Å; L614-W700 HydrophobicContact CD1-CH2 3.64Å; L614-W700 HydrophobicContact CD1-CZ2 4.4Å; L614-W700 HydrophobicContact CD1-CZ3 3.89Å; L618-W700 HydrophobicContact CD2-CZ2 4.38Å; A651-W700 HydrophobicContact CB-CB 3.92Å; A651-W700 HydrophobicContact CB-CG 4.44Å; L655-W700 HydrophobicContact CD2-CB 4.41Å; L655-W700 HydrophobicContact CD2-CD2 4.08Å; L655-W700 HydrophobicContact CD2-CE3 3.37Å; L655-W700 HydrophobicContact CD2-CZ3 3.98Å; W697-W700 WeakPolarHBondContact O-CB 3.34Å; W697-W700 PolarHBondContact O-N 3.06Å
701	L	91.5	Very high	78.2	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.4	175.7	-70.7	176	0	0	0	113.5	R411 F414 L655 L673 A677 N699 Q704 F706	R411-L701 HydrophobicContact CG-CD2 4.1Å; F414-L701 HydrophobicContact CD1-CD1 4.46Å; F414-L701 HydrophobicContact CD1-CD2 4.3Å; L655-L701 HydrophobicContact CD2-CG 4.48Å; L673-L701 HydrophobicContact CB-CD1 4.29Å; A677-L701 HydrophobicContact CB-CB 3.66Å; A677-L701 WeakPolarHBondContact CB-O 3.41Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.96Å; L701-Q704 HydrophobicContact CD2-CG 4.33Å; L701-Q704 VanDerWaalsContact O-CB 3.31Å; L701-Q704 WeakPolarHBondContact O-CB 3.47Å; L701-Q704 VanDerWaalsContact O-CG 3.31Å; L701-Q704 WeakPolarHBondContact O-CG 3.44Å; L701-Q704 PolarHBondContact O-N 3.02Å; L701-F706 HydrophobicContact CD1-CZ 4.49Å
702	T	86.7	Confident	78.9	Confident	53 Å²	53	66.5 Å²	66.5	33%	0.325	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	141.5	-179.7	-62.6	0	0	0	0	111.6	A680 N699 Q704	A680-T702 HydrophobicContact CB-CG2 3.57Å; A680-T702 WeakPolarHBondContact CB-OG1 3.35Å; N699-T702 WeakPolarHBondContact CA-OG1 3.29Å; N699-T702 WeakPolarHBondContact O-CB 3.31Å; N699-T702 PolarHBondContact O-N 2.81Å; N699-T702 PolarHBondContact O-OG1 3.02Å; T702-Q704 PolarHBondContact O-N 3.29Å; T702-Q704 VanDerWaalsContact O-N 3.15Å
703	G	80	Confident	79.1	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-2.2	-179.8	0	0	0	0	0	115	R681	R681-G703 VanDerWaalsContact NH1-C 3.35Å; R681-G703 PolarHBondContact NH1-O 3.41Å; R681-G703 PolarHBondContact NH2-O 3.06Å
704	Q	88.3	Confident	78.9	Confident	33 Å²	33	63.5 Å²	63.5	15%	0.154	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.4	147.9	176.2	-66.5	-56.2	-71.9	0	0	112.8	R411 A415 R681 L701 T702 F706	R411-Q704 HydrophobicContact CG-CG 3.6Å; A415-Q704 HydrophobicContact CB-CB 3.95Å; A415-Q704 HydrophobicContact CB-CG 4.19Å; R681-Q704 PolarHBondContact NH1-O 3.19Å; L701-Q704 HydrophobicContact CD2-CG 4.33Å; L701-Q704 VanDerWaalsContact O-CB 3.31Å; L701-Q704 WeakPolarHBondContact O-CB 3.47Å; L701-Q704 VanDerWaalsContact O-CG 3.31Å; L701-Q704 WeakPolarHBondContact O-CG 3.44Å; L701-Q704 PolarHBondContact O-N 3.02Å; T702-Q704 PolarHBondContact O-N 3.29Å; T702-Q704 VanDerWaalsContact O-N 3.15Å; Q704-F706 HydrophobicContact CB-CE2 4.17Å; Q704-F706 HydrophobicContact CB-CZ 4.24Å
705	T	87.9	Confident	78.5	Confident	94 Å²	94	57.7 Å²	57.7	58%	0.577	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-100.6	128.4	170.8	48.9	0	0	0	0	109
706	F	92	Very high	77.2	Confident	29 Å²	29	57 Å²	57	13%	0.127	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-100.3	117	178.8	-63.4	-89.2	0	0	0	108.2	A415 I418 A419 I674 A677 L701 Q704 K708	A415-F706 HydrophobicContact CB-CD1 4.18Å; A415-F706 HydrophobicContact CB-CE1 3.89Å; A415-F706 HydrophobicContact CB-CZ 4.41Å; A415-F706 WeakPolarHBondContact O-CD1 3.33Å; I418-F706 HydrophobicContact CB-CE1 4.26Å; I418-F706 HydrophobicContact CG2-CD1 4.46Å; I418-F706 HydrophobicContact CG2-CE1 4.09Å; A419-F706 HydrophobicContact CB-CB 4.23Å; A419-F706 HydrophobicContact CB-CD1 4.42Å; I674-F706 HydrophobicContact CD1-CD1 4.39Å; I674-F706 HydrophobicContact CG1-CD1 3.66Å; I674-F706 HydrophobicContact CG1-CD2 4.47Å; I674-F706 HydrophobicContact CG1-CE1 3.87Å; I674-F706 HydrophobicContact CG1-CG 3.98Å; I674-F706 HydrophobicContact CG1-CZ 4.37Å; I674-F706 HydrophobicContact CG2-CD2 4.13Å; I674-F706 HydrophobicContact CG2-CG 4.22Å; A677-F706 HydrophobicContact CB-CE2 3.48Å; A677-F706 VanDerWaalsContact CB-CE2 3.48Å; A677-F706 HydrophobicContact CB-CZ 3.54Å; L701-F706 HydrophobicContact CD1-CZ 4.49Å; Q704-F706 HydrophobicContact CB-CE2 4.17Å; Q704-F706 HydrophobicContact CB-CZ 4.24Å; F706-K708 PolarHBondContact O-N 3.15Å
707	P	90	Very high	74.8	Confident	42 Å²	42	58.6 Å²	58.6	27%	0.273	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59.4	132	-179.3	-28.3	38.3	0	0	0	111.8	H367 P368 N369 Q416	H367-P707 PolarHBondContact NE2-O 3.28Å; P368-P707 HydrophobicContact CG-CB 3.53Å; N369-P707 WeakPolarHBondContact OD1-CG 3.45Å; Q416-P707 HydrophobicContact CG-CG 4.13Å
708	K	89.1	Confident	72.2	Confident	174 Å²	174	62.7 Å²	62.7	76%	0.757	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-71.6	155.5	175.6	-68.9	-175.6	178.5	-178.8	0	110.9	P368 F706	P368-K708 WeakPolarHBondContact CD-O 3.38Å; P368-K708 WeakPolarHBondContact CG-O 3.34Å; F706-K708 PolarHBondContact O-N 3.15Å
709	P	86.3	Confident	69.7	Low	59 Å²	59	66.6 Å²	66.6	38%	0.383	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-51.6	151.5	165.2	-25.6	35.9	0	0	0	112.2	H366 H423	H366-P709 WeakPolarHBondContact O-CA 3.46Å; H423-P709 VanDerWaalsContact ND1-CG 3.32Å; H423-P709 WeakPolarHBondContact ND1-CG 3.4Å
710	L	82.9	Confident	67	Low	25 Å²	25	67.8 Å²	67.8	13%	0.131	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-81.7	149.7	171.7	-63.8	175.8	0	0	0	109.4	H366 P368 H853	H366-L710 PolarHBondContact O-N 3.01Å; P368-L710 HydrophobicContact CB-CD2 4.49Å; L710-H853 HydrophobicContact CD2-CB 4.44Å
711	P	70.9	Confident	63.9	Low	29 Å²	29	73.6 Å²	73.6	19%	0.188	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-59.2	143.1	174	23.2	-31.4	0	0	0	111.3	H366 D808	H366-P711 PolarHBondContact CD2-O 2.9Å; P711-D808 HydrophobicContact CB-CB 4.42Å; P711-D808 VanDerWaalsContact CB-CG 3.48Å; P711-D808 VanDerWaalsContact CB-OD1 3.31Å; P711-D808 WeakPolarHBondContact CB-OD1 3.48Å; P711-D808 WeakPolarHBondContact CB-OD2 3.48Å
712	R	66.8	Low	60.8	Low	147 Å²	147	78.9 Å²	78.9	56%	0.555	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-80.7	155.2	175.8	-155.9	176.1	-169.5	-172.3	0.8	108.7	K714	R712-K714 PolarHBondContact O-N 3.12Å
713	F	59.2	Low	58	Low	41 Å²	41	81.7 Å²	81.7	18%	0.18	45%	0.454	C	S	.	.			trans	-67.2	86.4	166.2	-178	-111	0	0	0	109.4	H715 L812 Y835 Y845	F713-H715 VanDerWaalsContact C-N 3.34Å; F713-H715 PolarHBondContact O-N 3Å; F713-L812 HydrophobicContact CD2-CD1 3.78Å; F713-L812 HydrophobicContact CE2-CD1 3.93Å; F713-Y835 HydrophobicContact CD1-CD1 4.29Å; F713-Y835 HydrophobicContact CE1-CD1 4.18Å; F713-Y835 HydrophobicContact CE1-CE1 4.23Å; F713-Y845 HydrophobicContact CD2-CD1 4.02Å; F713-Y845 AromaticContact CD2-CE1 3.42Å; F713-Y845 HydrophobicContact CD2-CE1 3.42Å; F713-Y845 VanDerWaalsContact CD2-CE1 3.42Å; F713-Y845 AromaticContact CD2-CZ 3.78Å; F713-Y845 HydrophobicContact CE2-CD1 4.03Å; F713-Y845 HydrophobicContact CE2-CD2 4.3Å; F713-Y845 AromaticContact CE2-CE1 3.53Å; F713-Y845 HydrophobicContact CE2-CE1 3.53Å; F713-Y845 AromaticContact CE2-CE2 3.83Å; F713-Y845 HydrophobicContact CE2-CE2 3.83Å; F713-Y845 HydrophobicContact CE2-CG 4.46Å; F713-Y845 AromaticContact CE2-CZ 3.45Å; F713-Y845 VanDerWaalsContact CE2-CZ 3.45Å; F713-Y845 HydrophobicContact CG-CE1 4.47Å
714	K	46.7	Very low	55.5	Low	111 Å²	111	88.9 Å²	88.9	48%	0.483	48%	0.481	S	S	.	.			trans	-83.1	74.1	178.9	-68.4	171	175.8	167.9	0	109.8	R712 D808	R712-K714 PolarHBondContact O-N 3.12Å; K714-D808 WeakPolarHBondContact CE-OD2 3.44Å; K714-D808 IonicContact NZ-OD2 2.74Å; K714-D808 PolarHBondContact NZ-OD2 2.84Å
715	H	45.4	Very low	52.5	Low	114 Å²	114	94.3 Å²	94.3	53%	0.528	51%	0.509	S	S	.	.			trans	69.7	145.3	169.9	-48.1	-77.4	0	0	0	116.7	F713 Y835	F713-H715 VanDerWaalsContact C-N 3.34Å; F713-H715 PolarHBondContact O-N 3Å; H715-Y835 AromaticContact ND1-CZ 3.89Å; H715-Y835 PolarHBondContact ND1-OH 2.97Å
716	C	35.4	Very low	49.6	Very low	23 Å²	23	98.6 Å²	98.6	16%	0.155	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-79.7	138.3	136.4	-70.4	0	0	0	0	106.2	I829 Q830	C716-I829 VanDerWaalsContact SG-CG2 3.59Å; C716-Q830 HydrophobicContact CB-CG 3.82Å
717	P	29.4	Very low	46.5	Very low	92 Å²	92	106.2 Å²	106.2	60%	0.597	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-56.7	139.6	175.4	24.7	-33.7	0	0	0	109.6	Q830	P717-Q830 PolarHBondContact O-NE2 3.13Å
718	P	29.5	Very low	43.4	Very low	105 Å²	105	108.1 Å²	108.1	68%	0.682	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-59.9	147	170.4	28.2	-34.1	0	0	0	108.8
719	L	28.8	Very low	40.5	Very low	96 Å²	96	108.4 Å²	108.4	50%	0.503	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-57.8	142	168.9	-77.3	90.7	0	0	0	108.9	T721 Y833	L719-T721 PolarHBondContact O-N 2.87Å; L719-Y833 WeakPolarHBondContact CD1-OH 3.48Å
720	P	28.7	Very low	37.6	Very low	118 Å²	118	113.7 Å²	113.7	77%	0.766	60%	0.603	S	S	*	*			trans	-58.5	114.9	172.4	24.7	-32.9	0	0	0	108.9	T722	P720-T722 PolarHBondContact O-N 2.72Å
721	T	25.7	Very low	34.9	Very low	128 Å²	128	119.8 Å²	119.8	79%	0.785	64%	0.636	S	S	*	*	S	Bend	trans	-71.3	92.6	-175.1	46.5	0	0	0	0	110.2	L719	L719-T721 PolarHBondContact O-N 2.87Å
722	T	27.1	Very low	32.9	Very low	116 Å²	116	124 Å²	124	71%	0.712	67%	0.666	S	S	*	*	S	Bend	trans	64.8	143.9	-169.7	2.7	0	0	0	0	112.8	P720 Q724	P720-T722 PolarHBondContact O-N 2.72Å; T722-Q724 PolarHBondContact O-N 3.05Å
723	P	27.3	Very low	31	Very low	111 Å²	111	122.9 Å²	122.9	72%	0.721	68%	0.681	S	S	*	*			trans	-62.4	109.3	155.9	27.4	-32.8	0	0	0	107.9	I725	P723-I725 PolarHBondContact O-N 3.21Å
724	Q	27.7	Very low	29.4	Very low	179 Å²	179	126.5 Å²	126.5	84%	0.836	71%	0.711	S	S	*	*			trans	-58.9	112.9	156.1	-80.6	-171	-15.8	0	0	106.6	T722 K726	T722-Q724 PolarHBondContact O-N 3.05Å; Q724-K726 PolarHBondContact O-N 2.93Å
725	I	25.8	Very low	28.5	Very low	147 Å²	147	125.3 Å²	125.3	75%	0.754	72%	0.717	S	S	*	*			trans	-61.9	103.1	173.5	-64	172	0	0	0	106.2	P723 Q727	P723-I725 PolarHBondContact O-N 3.21Å; I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 3.32Å
726	K	26.7	Very low	27.6	Very low	184 Å²	184	129 Å²	129	80%	0.8	73%	0.726	S	S	*	*			trans	-63.6	103.4	162.4	-83	-166.8	172.7	-173	0	106.1	Q724 S728	Q724-K726 PolarHBondContact O-N 2.93Å; K726-S728 PolarHBondContact O-N 2.99Å
727	Q	27.3	Very low	27.1	Very low	189 Å²	189	136.8 Å²	136.8	88%	0.883	75%	0.754	S	S	*	*	S	Bend	trans	-79.9	66.2	-177.5	-160	162.2	0.2	0	0	108.9	I725	I725-Q727 VanDerWaalsContact C-N 3.32Å; I725-Q727 PolarHBondContact O-N 3.32Å
728	S	25.7	Very low	27	Very low	83 Å²	83	140.2 Å²	140.2	58%	0.58	76%	0.759	S	S	*	*	S	Bend	trans	-169.5	144.2	179.3	27.1	0	0	0	0	107.7	K726	K726-S728 PolarHBondContact O-N 2.99Å
729	L	26.8	Very low	27	Very low	179 Å²	179	142.5 Å²	142.5	94%	0.937	76%	0.764	S	S	*	*	S	Bend	trans	71.5	48.4	-171	-53.8	169.9	0	0	0	115.4
730	L	24.9	Very low	26.6	Very low	170 Å²	170	145 Å²	145	89%	0.89	78%	0.778	S	S	*	*			trans	-143.4	46.9	155.6	-126.4	169.3	0	0	0	112.3
731	D	27	Very low	26.6	Very low	154 Å²	154	149.6 Å²	149.6	82%	0.824	79%	0.786	S	S	*	*			trans	-125.7	153.5	172.1	-92.9	-55.2	0	0	0	110.9
732	S	28.2	Very low	26.6	Very low	118 Å²	118	149.3 Å²	149.3	83%	0.825	78%	0.784	S	S	*	*	S	Bend	trans	65	61	162.5	-61.1	0	0	0	0	119.4
733	S	27.2	Very low	26.6	Very low	122 Å²	122	150.1 Å²	150.1	85%	0.853	79%	0.789	S	S	*	*			trans	-163.5	81.9	130.8	55.9	0	0	0	0	113.4
734	S	25.3	Very low	26.6	Very low	118 Å²	118	149.2 Å²	149.2	83%	0.825	79%	0.785	S	S	*	*			trans	-66.8	147.6	168.7	-61.2	0	0	0	0	112.4
735	S	28.2	Very low	26.6	Very low	86 Å²	86	148.7 Å²	148.7	60%	0.601	79%	0.786	S	S	*	*				166.6	145.9	105.5	60.9	0	0	0	0	114.8
736	R	26.5	Very low	26.6	Very low	192 Å²	192	147.5 Å²	147.5	73%	0.725	78%	0.781	S	S	*	*			trans	69.9	143.3	164.4	-58.2	171.5	-83.2	177.7	-9.1	116.3
737	Y	26.3	Very low	26.7	Very low	185 Å²	185	146.7 Å²	146.7	73%	0.725	78%	0.778	S	S	*	*			cis	-114.5	137.8	-3.1	-78.7	-101.3	0	0	0	109.1
738	K	26.4	Very low	26.8	Very low	165 Å²	165	142.8 Å²	142.8	72%	0.717	77%	0.767	S	S	*	*			cis	83.8	99.6	45.3	-162.7	-161.4	-170.6	-177.2	0	112.6
739	I	28.7	Very low	26.9	Very low	152 Å²	152	146.1 Å²	146.1	78%	0.779	78%	0.777	S	S	*	*				164.6	129.3	129	-84.2	156.5	0	0	0	110.4
740	N	22.2	Very low	27	Very low	148 Å²	148	142 Å²	142	79%	0.791	76%	0.763	S	S	*	*			trans	-92.3	154.8	170.4	-58.6	-14.5	0	0	0	110.3
741	K	27.9	Very low	27.2	Very low	215 Å²	215	141.1 Å²	141.1	94%	0.935	76%	0.759	S	S	*	*			trans	-151	145.9	130.8	-120.3	176.1	-176.7	-176.3	0	112.2
742	T	24.6	Very low	27.1	Very low	123 Å²	123	141 Å²	141	76%	0.755	76%	0.758	S	S	*	*			trans	-111	176.8	-172.4	47.4	0	0	0	0	110.8
743	V	27	Very low	27.1	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	76%	0.757	S	S	*	*			trans	145.6	132.3	146.6	159.1	0	0	0	0	109.6
744	S	27.2	Very low	27	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	75%	0.753	S	S	*	*			cis	-169	-178	-16.2	-88.6	0	0	0	0	109.4
745	I	28.8	Very low	27.8	Very low	169 Å²	169	143.9 Å²	143.9	87%	0.867	75%	0.748	S	S	*	*			trans	86.9	134	157.8	-52	173.3	0	0	0	116.2
746	D	24.9	Very low	27.7	Very low	121 Å²	121	144.6 Å²	144.6	65%	0.647	75%	0.754	S	S	*	*			cis	-169.4	160.6	-33.7	-158.9	4.7	0	0	0	109.5
747	K	29.6	Very low	27.7	Very low	168 Å²	168	140.3 Å²	140.3	73%	0.73	75%	0.753	S	S	*	*			trans	65.2	152.5	161.7	-65.4	163.8	-171.2	172.4	0	119.3
748	T	28.5	Very low	27.8	Very low	106 Å²	106	138 Å²	138	65%	0.65	75%	0.753	S	S	*	*			cis	-170.5	141.2	-17.1	28.6	0	0	0	0	110.3
749	I	28.4	Very low	27.8	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	75%	0.753	S	S	*	*			trans	67.4	144.6	140	-61.8	168.6	0	0	0	116.1
750	S	28.5	Very low	27.8	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	75%	0.751	S	S	*	*			cis	-157.8	147.7	22.1	17.9	0	0	0	0	115
751	N	30	Very low	28.2	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	74%	0.744	S	S	*	*			trans	77.5	149.3	135.2	-58.2	7	0	0	0	123.9
752	D	24.4	Very low	28.4	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	73%	0.729	S	S	*	*			trans	-117.6	-152.2	-167.6	-51.3	-94.3	0	0	0	113.8
753	I	28.3	Very low	28.6	Very low	158 Å²	158	134.9 Å²	134.9	81%	0.81	73%	0.732	S	S	*	*			trans	88.4	114.2	167	-51.9	169.6	0	0	0	114.2
754	I	25.9	Very low	28.6	Very low	149 Å²	149	133.4 Å²	133.4	76%	0.764	73%	0.728	S	S	*	*			cis	78.9	127.4	13.5	-64.9	175.1	0	0	0	116.5
755	P	41.9	Very low	28.7	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	73%	0.732	S	S	*	*			cis	-135.1	-135.4	-34.8	42.3	-21.5	0	0	0	110.3
756	S	25.6	Very low	28.4	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	73%	0.732	S	S	*	*			trans	157.2	86.5	164.7	49.7	0	0	0	0	118
757	S	26.1	Very low	28.5	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	73%	0.734	S	S	*	*			trans	59.8	161.4	153	86.3	0	0	0	0	118.9
758	D	28.4	Very low	28.4	Very low	136 Å²	136	133.4 Å²	133.4	73%	0.727	73%	0.732	S	S	*	*			cis	-142.7	179.5	4.3	-87.9	-68	0	0	0	109.2
759	L	26.8	Very low	28.3	Very low	137 Å²	137	135.4 Å²	135.4	72%	0.717	73%	0.734	S	S	*	*			cis	-179.5	166.6	-46.5	-143.2	150.4	0	0	0	106.2
760	I	29.7	Very low	28.1	Very low	141 Å²	141	133.6 Å²	133.6	72%	0.723	73%	0.726	S	S	*	*			trans	72.7	115.7	165	-51.2	167.8	0	0	0	115
761	H	30.2	Very low	27.9	Very low	139 Å²	139	135.2 Å²	135.2	64%	0.644	73%	0.727	S	S	*	*			cis	-173.7	155.6	37.5	-136.8	-7.5	0	0	0	112.9
762	K	32.2	Very low	27.8	Very low	146 Å²	146	133.7 Å²	133.7	64%	0.635	72%	0.723	S	S	*	*			trans	56.2	112	153.6	-74.4	155.1	177.9	153.8	0	118.5
763	Q	29.1	Very low	28	Very low	175 Å²	175	132.2 Å²	132.2	82%	0.818	72%	0.715	S	S	*	*				56.8	139.1	57.2	-55.2	173.4	-38.7	0	0	112.9
764	S	25.6	Very low	28.2	Very low	102 Å²	102	132 Å²	132	71%	0.713	71%	0.711	S	S	*	*			cis	-179.8	170.7	-15.5	52.2	0	0	0	0	104.3
765	I	29	Very low	28.3	Very low	140 Å²	140	133.7 Å²	133.7	72%	0.718	72%	0.715	S	S	*	*				-162.2	142	87.2	-85.7	164.7	0	0	0	108.6	T767	I765-T767 WeakPolarHBondContact CG2-OG1 3.49Å
766	N	23.2	Very low	28.1	Very low	163 Å²	163	133.1 Å²	133.1	87%	0.872	71%	0.712	S	S	*	*			trans	-123.7	141.2	156.6	-114.9	-12.4	0	0	0	106.4
767	T	27.5	Very low	28.2	Very low	114 Å²	114	134.7 Å²	134.7	70%	0.699	71%	0.712	S	S	*	*			trans	-137.9	91.1	178.3	-34.3	0	0	0	0	107	I765	I765-T767 WeakPolarHBondContact CG2-OG1 3.49Å
768	I	27.6	Very low	28.2	Very low	131 Å²	131	135.7 Å²	135.7	67%	0.672	71%	0.708	S	S	*	*				84.8	95.4	94.3	-75.7	173.1	0	0	0	112
769	Q	25.1	Very low	28	Very low	148 Å²	148	137 Å²	137	69%	0.692	71%	0.71	S	S	*	*				61.8	136.5	117.6	-74.3	-179.2	-67.6	0	0	122.7
770	N	24.1	Very low	27.9	Very low	116 Å²	116	135.9 Å²	135.9	62%	0.62	71%	0.709	S	S	*	*				87.7	113.2	128.3	-73.2	16.1	0	0	0	121.9
771	N	25.7	Very low	27.7	Very low	127 Å²	127	136 Å²	136	68%	0.679	71%	0.71	S	S	*	*				104.2	139	117.4	-72.2	7	0	0	0	120.8
772	T	27.4	Very low	27.5	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	71%	0.714	S	S	*	*			trans	69	142.7	147.8	42.1	0	0	0	0	118.4
773	D	28.7	Very low	27.2	Very low	119 Å²	119	134.5 Å²	134.5	64%	0.636	72%	0.723	S	S	*	*			cis	-151.9	170.8	14.8	-126.9	-34.5	0	0	0	117.2
774	H	33.4	Very low	27.1	Very low	153 Å²	153	129.8 Å²	129.8	71%	0.708	72%	0.722	S	S	*	*			trans	51.6	96.5	156.2	-63.8	-39.9	0	0	0	123.8
775	Q	26	Very low	27.1	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	74%	0.735	S	S	*	*				36.4	159.9	109.1	-75.6	-161.3	-83.8	0	0	125
776	P	38.4	Very low	27.1	Very low	100 Å²	100	130.8 Å²	130.8	65%	0.649	74%	0.74	S	S	*	*			trans	-117.3	-171.2	-166.4	44.8	-32.1	0	0	0	114.6
777	D	27	Very low	27.1	Very low	135 Å²	135	133 Å²	133	72%	0.722	75%	0.745	S	S	*	*				-170.8	128.7	123.8	-106.4	-3.1	0	0	0	118.1
778	I	27.2	Very low	27	Very low	124 Å²	124	130.8 Å²	130.8	64%	0.636	75%	0.745	S	S	*	*				65.5	127.5	123.1	-71.3	178.1	0	0	0	124.5
779	Q	24.7	Very low	26.9	Very low	163 Å²	163	132.2 Å²	132.2	76%	0.762	75%	0.753	S	S	*	*			trans	89.6	119.2	146.4	-86.7	169	56.1	0	0	125.7
780	T	24.2	Very low	26.9	Very low	114 Å²	114	132 Å²	132	70%	0.699	76%	0.757	S	S	*	*				96.4	132.4	127.4	43	0	0	0	0	126.3
781	L	25.9	Very low	27.1	Very low	142 Å²	142	130.4 Å²	130.4	74%	0.743	77%	0.768	S	S	*	*			trans	88.1	112.6	140.2	-73.1	162.4	0	0	0	123
782	N	26.6	Very low	27.2	Very low	134 Å²	134	131.5 Å²	131.5	72%	0.717	77%	0.774	S	S	*	*			trans	53.8	102.4	132.3	-64.6	5.8	0	0	0	122.6
783	S	25.1	Very low	27	Very low	120 Å²	120	130.7 Å²	130.7	84%	0.839	77%	0.772	S	S	*	*				30.7	115.1	123.9	62.7	0	0	0	0	120.5
784	G	27.3	Very low	26.8	Very low	77 Å²	77	130.4 Å²	130.4	79%	0.794	78%	0.779	S	S	*	*			trans	-147.1	144.7	157.9	0	0	0	0	0	110.5
785	N	24.6	Very low	26.4	Very low	182 Å²	182	127 Å²	127	97%	0.973	77%	0.772	S	S	*	*			trans	-84.4	148.7	-175.6	-65.9	-31.9	0	0	0	112.5
786	G	28.7	Very low	26.4	Very low	80 Å²	80	125.7 Å²	125.7	83%	0.825	77%	0.766	S	S	*	*			trans	-163.3	124.5	167.9	0	0	0	0	0	111
787	E	24.5	Very low	25.8	Very low	209 Å²	209	129.3 Å²	129.3	98%	0.977	78%	0.775	S	S	*	*			trans	-85.1	148.7	179.4	-56.2	178.4	129.7	0	0	111
788	G	25.5	Very low	25.8	Very low	69 Å²	69	128.4 Å²	128.4	71%	0.711	77%	0.774	S	S	*	*			trans	162	82.3	168.4	0	0	0	0	0	119.4
789	L	25.5	Very low	25.8	Very low	160 Å²	160	128.7 Å²	128.7	84%	0.838	78%	0.776	S	S	*	*			trans	64.7	146.2	140.7	-56.3	172.4	0	0	0	121.8
790	N	24.9	Very low	25.8	Very low	144 Å²	144	127.4 Å²	127.4	77%	0.77	77%	0.774	S	S	*	*			trans	65.2	56.6	149.9	-60.6	-10.5	0	0	0	120.3
791	G	27.5	Very low	25.9	Very low	83 Å²	83	128.8 Å²	128.8	86%	0.856	78%	0.777	S	S	*	*			trans	-96.3	82.7	154.2	0	0	0	0	0	112.1
792	N	27.3	Very low	26	Very low	149 Å²	149	130 Å²	130	80%	0.797	78%	0.779	S	S	*	*			trans	-66.4	140.3	179.9	-97.4	-21.6	0	0	0	112.4	S794	N792-S794 VanDerWaalsContact C-N 3.28Å; N792-S794 PolarHBondContact O-N 3.42Å
793	C	23.8	Very low	26	Very low	102 Å²	102	128.6 Å²	128.6	69%	0.689	77%	0.77	S	S	*	*			trans	-76.1	70.5	-179.2	-166.8	0	0	0	0	112.6	S795	C793-S795 PolarHBondContact O-N 3.33Å
794	S	24	Very low	26.4	Very low	114 Å²	114	130.1 Å²	130.1	80%	0.797	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	58.2	179.7	64.3	0	0	0	0	112.8	N792	N792-S794 VanDerWaalsContact C-N 3.28Å; N792-S794 PolarHBondContact O-N 3.42Å
795	S	26.2	Very low	26.9	Very low	80 Å²	80	131.7 Å²	131.7	56%	0.559	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	-10.4	177.2	56.1	0	0	0	0	114.5	C793	C793-S795 PolarHBondContact O-N 3.33Å
796	E	26.6	Very low	28	Very low	159 Å²	159	127.7 Å²	127.7	74%	0.743	74%	0.738	S	S	*	*	S	Bend	trans	-88.2	-13.4	-175.3	-157.6	164.4	-149.6	0	0	114.2
797	Q	25.7	Very low	29.2	Very low	175 Å²	175	129.6 Å²	129.6	82%	0.818	73%	0.726	S	S	*	*	S	Bend	trans	-100.5	-4.9	-178.4	-86.9	174.4	-21.1	0	0	115.7
798	T	26.2	Very low	30.7	Very low	117 Å²	117	121.5 Å²	121.5	72%	0.718	69%	0.689	S	S	*	*	S	Bend	trans	-93.9	-6.2	174.9	-33.2	0	0	0	0	112.8
799	L	26.9	Very low	32.5	Very low	129 Å²	129	123.2 Å²	123.2	68%	0.675	68%	0.682	S	S	*	*	S	Bend	trans	-95	-6.8	-176.8	-139.8	76.1	0	0	0	114.5	L803	L799-L803 WeakPolarHBondContact O-CD1 3.4Å
800	L	25.2	Very low	34.5	Very low	137 Å²	137	117.7 Å²	117.7	72%	0.717	66%	0.659	S	S	*	*	S	Bend	trans	-93.6	-6.2	-171.1	-95.1	161.4	0	0	0	115.7
801	N	26.3	Very low	36.5	Very low	142 Å²	142	111.5 Å²	111.5	76%	0.759	63%	0.626	S	S	*	*	S	Bend	trans	-104.2	2.1	-175.2	-76.7	-29.7	0	0	0	115.4
802	H	26.7	Very low	38.4	Very low	168 Å²	168	108.8 Å²	108.8	78%	0.778	59%	0.592	S	S	*	*	S	Bend	trans	-125.6	11.7	-178	-78.5	-65.6	0	0	0	115.3
803	L	27.4	Very low	40.4	Very low	104 Å²	104	108 Å²	108	55%	0.545	58%	0.583	S	S	.	*			trans	-110.7	59.8	-174	-65.9	176.1	0	0	0	113.7	L799	L799-L803 WeakPolarHBondContact O-CD1 3.4Å
804	N	33.9	Very low	42.7	Very low	152 Å²	152	104.8 Å²	104.8	81%	0.813	56%	0.564	S	S	*	*	S	Bend	trans	-107.1	-13.7	170.2	-101.4	-49.2	0	0	0	114.4
805	D	37	Very low	44.9	Very low	111 Å²	111	99.3 Å²	99.3	59%	0.594	53%	0.526	S	S	*	.	S	Bend	trans	-93.5	-30.5	-179.8	-72.3	-69.9	0	0	0	113.6	Q807 D808	D805-Q807 PolarHBondContact O-N 3.13Å; D805-D808 PolarHBondContact O-N 3.33Å
806	N	47.8	Very low	46.9	Very low	98 Å²	98	96.4 Å²	96.4	52%	0.524	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-10.8	-172.6	-65.3	29.7	0	0	0	115.3
807	Q	53.3	Low	49.1	Very low	120 Å²	120	96 Å²	96	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-73.2	-30.3	177.3	-174	169.2	-19.8	0	0	112.3	D805 E811	D805-Q807 PolarHBondContact O-N 3.13Å; Q807-E811 PolarHBondContact O-N 3.39Å
808	D	56.6	Low	51.3	Low	39 Å²	39	90.7 Å²	90.7	21%	0.209	47%	0.474	C	S	.	.	H	α-helix	trans	-64.6	-46.9	177.8	-77.3	17.3	0	0	0	110.7	P711 K714 D805 A810 E811 L812	P711-D808 HydrophobicContact CB-CB 4.42Å; P711-D808 VanDerWaalsContact CB-CG 3.48Å; P711-D808 VanDerWaalsContact CB-OD1 3.31Å; P711-D808 WeakPolarHBondContact CB-OD1 3.48Å; P711-D808 WeakPolarHBondContact CB-OD2 3.48Å; K714-D808 WeakPolarHBondContact CE-OD2 3.44Å; K714-D808 IonicContact NZ-OD2 2.74Å; K714-D808 PolarHBondContact NZ-OD2 2.84Å; D805-D808 PolarHBondContact O-N 3.33Å; D808-A810 VanDerWaalsContact C-N 3.35Å; D808-A810 PolarHBondContact O-N 3.31Å; D808-E811 PolarHBondContact O-N 3.09Å; D808-E811 VanDerWaalsContact O-N 3.08Å; D808-L812 PolarHBondContact O-N 3.27Å
809	D	63.4	Low	53.3	Low	105 Å²	105	85.2 Å²	85.2	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-64.9	-37.6	-177.8	-68.3	-31.1	0	0	0	112.1	E811 L812 E813	D809-E811 VanDerWaalsContact C-N 3.26Å; D809-E811 PolarHBondContact O-N 3.38Å; D809-L812 WeakPolarHBondContact O-CB 3.47Å; D809-L812 PolarHBondContact O-N 3.01Å; D809-E813 WeakPolarHBondContact O-CB 3.37Å; D809-E813 PolarHBondContact O-N 2.96Å
810	A	68	Low	55.4	Low	44 Å²	44	81.6 Å²	81.6	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-67.9	-21.7	174.7	0	0	0	0	0	113.5	D808 A814 R856	D808-A810 VanDerWaalsContact C-N 3.35Å; D808-A810 PolarHBondContact O-N 3.31Å; A810-A814 WeakPolarHBondContact O-CB 3.35Å; A810-A814 PolarHBondContact O-N 3.33Å; A810-R856 PolarHBondContact O-NH2 3.24Å
811	E	66.9	Low	57.5	Low	13 Å²	13	79.8 Å²	79.8	6%	0.061	42%	0.417	C	S	.	.	H	α-helix	trans	-83.4	-35.2	170.7	-68.2	-176.4	179	0	0	111.2	Q807 D808 D809 A815 L849 I852 H853 R856	Q807-E811 PolarHBondContact O-N 3.39Å; D808-E811 PolarHBondContact O-N 3.09Å; D808-E811 VanDerWaalsContact O-N 3.08Å; D809-E811 VanDerWaalsContact C-N 3.26Å; D809-E811 PolarHBondContact O-N 3.38Å; E811-A815 WeakPolarHBondContact O-CB 3.43Å; E811-A815 PolarHBondContact O-N 2.69Å; E811-A815 VanDerWaalsContact O-N 3.13Å; E811-L849 HydrophobicContact CB-CD1 4.34Å; E811-I852 HydrophobicContact CG-CG2 4.42Å; E811-H853 IonicContact OE2-CD2 3Å; E811-H853 PolarHBondContact OE2-CD2 3.49Å; E811-H853 IonicContact OE2-CE1 3.89Å; E811-H853 IonicContact OE2-CG 2.69Å; E811-H853 IonicContact OE2-NE2 2.78Å; E811-H853 PolarHBondContact OE2-NE2 3.01Å; E811-H853 VanDerWaalsContact OE2-NE2 3.17Å; E811-R856 VanDerWaalsContact CD-NH1 3.35Å; E811-R856 WeakPolarHBondContact OE1-CD 3.12Å; E811-R856 IonicContact OE1-CZ 3.44Å; E811-R856 IonicContact OE1-NE 3.59Å; E811-R856 IonicContact OE1-NH1 2.71Å; E811-R856 PolarHBondContact OE1-NH1 3.48Å
812	L	66.9	Low	59.4	Low	27 Å²	27	75.7 Å²	75.7	14%	0.141	39%	0.394	C	S	.	.	H	α-helix	trans	-63.8	-46.3	173.2	-152.7	85.2	0	0	0	111.8	F713 D808 D809 A815 N816 Y845	F713-L812 HydrophobicContact CD2-CD1 3.78Å; F713-L812 HydrophobicContact CE2-CD1 3.93Å; D808-L812 PolarHBondContact O-N 3.27Å; D809-L812 WeakPolarHBondContact O-CB 3.47Å; D809-L812 PolarHBondContact O-N 3.01Å; L812-A815 PolarHBondContact O-N 2.99Å; L812-N816 PolarHBondContact O-N 2.66Å; L812-N816 PolarHBondContact O-ND2 3Å; L812-Y845 WeakPolarHBondContact CD1-OH 3.43Å; L812-Y845 WeakPolarHBondContact CG-OH 3.32Å; L812-Y845 PolarHBondContact O-OH 3.06Å
813	E	69.4	Low	61.2	Low	131 Å²	131	69.8 Å²	69.8	61%	0.612	38%	0.378	S	S	*	.	H	α-helix	trans	-66.8	-44.6	179.7	-178.1	159.6	-123.2	0	0	111.9	D809 A815 N816 Y817	D809-E813 WeakPolarHBondContact O-CB 3.37Å; D809-E813 PolarHBondContact O-N 2.96Å; E813-A815 VanDerWaalsContact C-N 3.26Å; E813-A815 PolarHBondContact O-N 3.35Å; E813-N816 PolarHBondContact O-N 3.06Å; E813-N816 VanDerWaalsContact O-N 3.14Å; E813-Y817 PolarHBondContact O-N 3.15Å
814	A	72.3	Confident	63.1	Low	35 Å²	35	65 Å²	65	29%	0.289	35%	0.354	S	S	.	.	H	α-helix	trans	-59.3	-37	174.7	0	0	0	0	0	112.3	A810 L818 I852	A810-A814 WeakPolarHBondContact O-CB 3.35Å; A810-A814 PolarHBondContact O-N 3.33Å; A814-L818 WeakPolarHBondContact O-CG 3.22Å; A814-L818 PolarHBondContact O-N 3.03Å; A814-L818 VanDerWaalsContact O-N 3.15Å; A814-I852 HydrophobicContact CB-CD1 3.88Å
815	A	69.8	Low	64.5	Low	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-45.4	173.7	0	0	0	0	0	112	E811 L812 E813 Y817 L818 L819 Y845 L849 I852	E811-A815 WeakPolarHBondContact O-CB 3.43Å; E811-A815 PolarHBondContact O-N 2.69Å; E811-A815 VanDerWaalsContact O-N 3.13Å; L812-A815 PolarHBondContact O-N 2.99Å; E813-A815 VanDerWaalsContact C-N 3.26Å; E813-A815 PolarHBondContact O-N 3.35Å; A815-Y817 VanDerWaalsContact C-N 3.32Å; A815-Y817 PolarHBondContact O-N 3.06Å; A815-L818 PolarHBondContact O-N 3.47Å; A815-L819 WeakPolarHBondContact O-CD1 3.36Å; A815-L819 VanDerWaalsContact O-CG 3.26Å; A815-L819 WeakPolarHBondContact O-CG 3.2Å; A815-L819 PolarHBondContact O-N 2.92Å; A815-Y845 HydrophobicContact CB-CE1 4.21Å; A815-Y845 HydrophobicContact CB-CE2 4.15Å; A815-Y845 WeakPolarHBondContact CB-OH 3.4Å; A815-L849 HydrophobicContact CB-CB 4.49Å; A815-L849 HydrophobicContact CB-CD1 4.21Å; A815-I852 HydrophobicContact CB-CD1 3.81Å; A815-I852 VanDerWaalsContact N-CD1 3.33Å
816	N	68.6	Low	65.7	Low	19 Å²	19	61 Å²	61	10%	0.102	33%	0.329	C	S	.	.	H	α-helix	trans	-60.8	-38.9	176.5	-76.2	-55.8	0	0	0	112.4	L812 E813 L819 S820	L812-N816 PolarHBondContact O-N 2.66Å; L812-N816 PolarHBondContact O-ND2 3Å; E813-N816 PolarHBondContact O-N 3.06Å; E813-N816 VanDerWaalsContact O-N 3.14Å; N816-L819 PolarHBondContact O-N 3.1Å; N816-S820 PolarHBondContact O-N 2.98Å; N816-S820 PolarHBondContact O-OG 3.04Å
817	Y	73.6	Confident	66.3	Low	149 Å²	149	61.1 Å²	61.1	58%	0.584	33%	0.33	S	S	*	.	H	α-helix	trans	-64.3	-47.8	176	179	-102.1	0	0	0	111.8	E813 A815 L819 S820 N821	E813-Y817 PolarHBondContact O-N 3.15Å; A815-Y817 VanDerWaalsContact C-N 3.32Å; A815-Y817 PolarHBondContact O-N 3.06Å; Y817-L819 VanDerWaalsContact C-N 3.27Å; Y817-L819 PolarHBondContact O-N 3.32Å; Y817-S820 WeakPolarHBondContact O-CB 3.41Å; Y817-S820 PolarHBondContact O-N 3.4Å; Y817-N821 WeakPolarHBondContact CE1-ND2 3.38Å; Y817-N821 VanDerWaalsContact CZ-ND2 3.33Å; Y817-N821 PolarHBondContact O-N 3.43Å; Y817-N821 PolarHBondContact OH-ND2 3.48Å
818	L	70.3	Confident	66.6	Low	65 Å²	65	57.5 Å²	57.5	34%	0.34	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-33.1	175.9	-71.1	179.2	0	0	0	113.1	A814 A815 L822 M848 I852	A814-L818 WeakPolarHBondContact O-CG 3.22Å; A814-L818 PolarHBondContact O-N 3.03Å; A814-L818 VanDerWaalsContact O-N 3.15Å; A815-L818 PolarHBondContact O-N 3.47Å; L818-L822 WeakPolarHBondContact O-CG 3.28Å; L818-L822 PolarHBondContact O-N 3.07Å; L818-M848 HydrophobicContact CB-SD 4.18Å; L818-M848 HydrophobicContact CD1-SD 4.2Å; L818-I852 HydrophobicContact CD1-CD1 4.06Å; L818-I852 HydrophobicContact CD1-CG1 4.1Å
819	L	68.4	Low	66.8	Low	1 Å²	1	56 Å²	56	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-38.3	176.7	-69.4	163.9	0	0	0	112.4	A815 N816 Y817 N821 L822 G823 I824 I829 Y845 M848	A815-L819 WeakPolarHBondContact O-CD1 3.36Å; A815-L819 VanDerWaalsContact O-CG 3.26Å; A815-L819 WeakPolarHBondContact O-CG 3.2Å; A815-L819 PolarHBondContact O-N 2.92Å; N816-L819 PolarHBondContact O-N 3.1Å; Y817-L819 VanDerWaalsContact C-N 3.27Å; Y817-L819 PolarHBondContact O-N 3.32Å; L819-N821 VanDerWaalsContact C-N 3.27Å; L819-N821 PolarHBondContact O-N 2.81Å; L819-L822 CarbonylContact O-C 3.53Å; L819-L822 WeakPolarHBondContact O-CA 3.24Å; L819-L822 WeakPolarHBondContact O-CB 3.34Å; L819-L822 PolarHBondContact O-N 2.85Å; L819-G823 PolarHBondContact O-N 3.27Å; L819-I824 CarbonylContact C-O 3.6Å; L819-I824 HydrophobicContact CB-CB 4.26Å; L819-I824 HydrophobicContact CB-CG2 4.49Å; L819-I824 HydrophobicContact CD2-CD1 4.03Å; L819-I824 PolarHBondContact O-N 3.4Å; L819-I829 HydrophobicContact CB-CD1 4.27Å; L819-I829 HydrophobicContact CD1-CD1 3.85Å; L819-Y845 HydrophobicContact CD1-CD2 3.14Å; L819-Y845 HydrophobicContact CD1-CE2 3.72Å; L819-Y845 HydrophobicContact CD1-CG 3.8Å; L819-M848 HydrophobicContact CD2-CG 4.04Å; L819-M848 HydrophobicContact CG-CG 4.42Å
820	S	71.1	Confident	66.7	Low	53 Å²	53	53.1 Å²	53.1	37%	0.371	29%	0.288	S	S	.	.	H	α-helix	trans	-58	-43	172.1	-54.7	0	0	0	0	110.5	N816 Y817 L822 G823 I824	N816-S820 PolarHBondContact O-N 2.98Å; N816-S820 PolarHBondContact O-OG 3.04Å; Y817-S820 WeakPolarHBondContact O-CB 3.41Å; Y817-S820 PolarHBondContact O-N 3.4Å; S820-L822 PolarHBondContact O-N 3.27Å; S820-G823 PolarHBondContact O-N 3.32Å; S820-I824 WeakPolarHBondContact CA-O 3.28Å; S820-I824 PolarHBondContact N-O 3.05Å
821	N	70.5	Confident	66	Low	100 Å²	100	56.3 Å²	56.3	54%	0.535	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	174.6	-68.2	-5.2	0	0	0	114.2	Y817 L819	Y817-N821 WeakPolarHBondContact CE1-ND2 3.38Å; Y817-N821 VanDerWaalsContact CZ-ND2 3.33Å; Y817-N821 PolarHBondContact O-N 3.43Å; Y817-N821 PolarHBondContact OH-ND2 3.48Å; L819-N821 VanDerWaalsContact C-N 3.27Å; L819-N821 PolarHBondContact O-N 2.81Å
822	L	66.4	Low	65.4	Low	56 Å²	56	57 Å²	57	29%	0.293	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	10.4	171.2	-70.1	169.7	0	0	0	112.4	T333 L818 L819 S820 I824 M848	T333-L822 HydrophobicContact CG2-CD1 3.94Å; L818-L822 WeakPolarHBondContact O-CG 3.28Å; L818-L822 PolarHBondContact O-N 3.07Å; L819-L822 CarbonylContact O-C 3.53Å; L819-L822 WeakPolarHBondContact O-CA 3.24Å; L819-L822 WeakPolarHBondContact O-CB 3.34Å; L819-L822 PolarHBondContact O-N 2.85Å; S820-L822 PolarHBondContact O-N 3.27Å; L822-I824 VanDerWaalsContact C-N 3.32Å; L822-I824 PolarHBondContact O-N 2.95Å; L822-M848 HydrophobicContact CD1-CG 4.37Å; L822-M848 HydrophobicContact CD1-SD 4.02Å
823	G	64.5	Low	64.3	Low	43 Å²	43	61.9 Å²	61.9	44%	0.443	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	10.4	179.8	0	0	0	0	0	114.9	L819 S820	L819-G823 PolarHBondContact O-N 3.27Å; S820-G823 PolarHBondContact O-N 3.32Å
824	I	66.3	Low	63.2	Low	5 Å²	5	59.9 Å²	59.9	3%	0.026	32%	0.316	C	S	.	.			trans	-96.5	108.5	176.5	-63	173.1	0	0	0	108.1	L332 L819 S820 L822 I829 V841 A844 L949	L332-I824 HydrophobicContact CD1-CD1 4.09Å; L819-I824 CarbonylContact C-O 3.6Å; L819-I824 HydrophobicContact CB-CB 4.26Å; L819-I824 HydrophobicContact CB-CG2 4.49Å; L819-I824 HydrophobicContact CD2-CD1 4.03Å; L819-I824 PolarHBondContact O-N 3.4Å; S820-I824 WeakPolarHBondContact CA-O 3.28Å; S820-I824 PolarHBondContact N-O 3.05Å; L822-I824 VanDerWaalsContact C-N 3.32Å; L822-I824 PolarHBondContact O-N 2.95Å; I824-I829 HydrophobicContact CG2-CD1 4.22Å; I824-I829 HydrophobicContact CG2-CG1 3.79Å; I824-V841 HydrophobicContact CG2-CG1 3.91Å; I824-A844 HydrophobicContact CD1-CB 4.23Å; I824-L949 HydrophobicContact CD1-CD2 4.5Å; I824-L949 HydrophobicContact CG1-CD1 4.47Å; I824-L949 HydrophobicContact CG1-CD2 4.19Å
825	T	64	Low	62.3	Low	63 Å²	63	63.7 Å²	63.7	39%	0.387	32%	0.323	S	S	.	.			trans	-74.6	156.1	-176.1	60.1	0	0	0	0	112.8	D827 E828 I829	T825-D827 PolarHBondContact O-N 3.05Å; T825-E828 WeakPolarHBondContact CB-OE2 3.31Å; T825-E828 PolarHBondContact N-OE2 3.27Å; T825-E828 PolarHBondContact O-N 3.48Å; T825-E828 VanDerWaalsContact O-N 3.08Å; T825-E828 WeakPolarHBondContact OG1-CB 3.23Å; T825-E828 VanDerWaalsContact OG1-CG 3.22Å; T825-E828 WeakPolarHBondContact OG1-CG 3.24Å; T825-E828 PolarHBondContact OG1-N 3.17Å; T825-E828 VanDerWaalsContact OG1-N 3.14Å; T825-E828 PolarHBondContact OG1-OE2 3.23Å; T825-I829 WeakPolarHBondContact O-CG1 3.4Å; T825-I829 PolarHBondContact O-N 3Å; T825-I829 VanDerWaalsContact O-N 3.13Å
826	K	61.9	Low	61.7	Low	115 Å²	115	66.3 Å²	66.3	50%	0.5	34%	0.34	S	S	.	.	H	α-helix	trans	-55	-38.6	170.6	-78.1	-171.9	176.9	-179.1	0	111.4	E828 I829 Q830	K826-E828 VanDerWaalsContact C-N 3.35Å; K826-E828 PolarHBondContact O-N 3.13Å; K826-I829 PolarHBondContact O-N 3.14Å; K826-Q830 PolarHBondContact O-N 3.16Å
827	D	59.6	Low	61.5	Low	101 Å²	101	65.5 Å²	65.5	54%	0.54	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-38.3	176.7	-61.5	-11.3	0	0	0	112.1	T825 N831	T825-D827 PolarHBondContact O-N 3.05Å; D827-N831 WeakPolarHBondContact O-CB 3.49Å; D827-N831 VanDerWaalsContact O-CG 3.31Å; D827-N831 PolarHBondContact O-N 3.44Å; D827-N831 PolarHBondContact O-ND2 3Å
828	E	60.9	Low	61.7	Low	43 Å²	43	66 Å²	66	20%	0.201	34%	0.336	C	S	.	.	H	α-helix	trans	-72.2	-32.5	176.6	-74.2	165.9	122	0	0	112.6	T825 K826 S832 S945	T825-E828 WeakPolarHBondContact CB-OE2 3.31Å; T825-E828 PolarHBondContact N-OE2 3.27Å; T825-E828 PolarHBondContact O-N 3.48Å; T825-E828 VanDerWaalsContact O-N 3.08Å; T825-E828 WeakPolarHBondContact OG1-CB 3.23Å; T825-E828 VanDerWaalsContact OG1-CG 3.22Å; T825-E828 WeakPolarHBondContact OG1-CG 3.24Å; T825-E828 PolarHBondContact OG1-N 3.17Å; T825-E828 VanDerWaalsContact OG1-N 3.14Å; T825-E828 PolarHBondContact OG1-OE2 3.23Å; K826-E828 VanDerWaalsContact C-N 3.35Å; K826-E828 PolarHBondContact O-N 3.13Å; E828-S832 WeakPolarHBondContact O-CB 3.22Å; E828-S832 PolarHBondContact O-N 3.44Å; E828-S832 PolarHBondContact O-OG 2.83Å; E828-S945 WeakPolarHBondContact OE1-CB 3.43Å
829	I	60.9	Low	62	Low	9 Å²	9	64.2 Å²	64.2	5%	0.046	33%	0.329	C	S	.	.	H	α-helix	trans	-67.7	-47.8	172.5	-56.8	168.1	0	0	0	109.6	C716 L819 I824 T825 K826 S832 V841 Y845	C716-I829 VanDerWaalsContact SG-CG2 3.59Å; L819-I829 HydrophobicContact CB-CD1 4.27Å; L819-I829 HydrophobicContact CD1-CD1 3.85Å; I824-I829 HydrophobicContact CG2-CD1 4.22Å; I824-I829 HydrophobicContact CG2-CG1 3.79Å; T825-I829 WeakPolarHBondContact O-CG1 3.4Å; T825-I829 PolarHBondContact O-N 3Å; T825-I829 VanDerWaalsContact O-N 3.13Å; K826-I829 PolarHBondContact O-N 3.14Å; I829-S832 PolarHBondContact O-N 3.27Å; I829-S832 PolarHBondContact O-OG 3.34Å; I829-V841 HydrophobicContact CG1-CG1 4.12Å; I829-Y845 HydrophobicContact CD1-CD2 4.31Å; I829-Y845 HydrophobicContact CG2-CD2 4.34Å
830	Q	60.4	Low	62.5	Low	43 Å²	43	66 Å²	66	20%	0.201	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-47.5	177.1	-79.2	-179.7	-50.7	0	0	112.6	C716 P717 K826 S832 Y833	C716-Q830 HydrophobicContact CB-CG 3.82Å; P717-Q830 PolarHBondContact O-NE2 3.13Å; K826-Q830 PolarHBondContact O-N 3.16Å; Q830-S832 PolarHBondContact O-N 2.88Å; Q830-Y833 WeakPolarHBondContact O-CD2 3.46Å; Q830-Y833 WeakPolarHBondContact O-CE2 3.34Å; Q830-Y833 PolarHBondContact O-N 2.76Å
831	N	54.5	Low	62.7	Low	112 Å²	112	64.8 Å²	64.8	60%	0.599	33%	0.334	S	S	*	.	H	α-helix	trans	-66.1	-18.8	177.3	-75.2	-64.5	0	0	0	112.8	D827 Y833	D827-N831 WeakPolarHBondContact O-CB 3.49Å; D827-N831 VanDerWaalsContact O-CG 3.31Å; D827-N831 PolarHBondContact O-N 3.44Å; D827-N831 PolarHBondContact O-ND2 3Å; N831-Y833 PolarHBondContact O-N 3.32Å
832	S	54.2	Low	62.9	Low	26 Å²	26	60.6 Å²	60.6	18%	0.182	31%	0.313	C	S	.	.			trans	-75.5	49.1	165	76.9	0	0	0	0	112.6	E828 I829 Q830 N834	E828-S832 WeakPolarHBondContact O-CB 3.22Å; E828-S832 PolarHBondContact O-N 3.44Å; E828-S832 PolarHBondContact O-OG 2.83Å; I829-S832 PolarHBondContact O-N 3.27Å; I829-S832 PolarHBondContact O-OG 3.34Å; Q830-S832 PolarHBondContact O-N 2.88Å; S832-N834 PolarHBondContact O-N 3.2Å
833	Y	43.1	Very low	63.7	Low	131 Å²	131	58 Å²	58	51%	0.514	30%	0.299	S	S	.	.			trans	-50.7	-15.1	-174.2	-93.6	-76.9	0	0	0	116.3	L719 Q830 N831 Y835	L719-Y833 WeakPolarHBondContact CD1-OH 3.48Å; Q830-Y833 WeakPolarHBondContact O-CD2 3.46Å; Q830-Y833 WeakPolarHBondContact O-CE2 3.34Å; Q830-Y833 PolarHBondContact O-N 2.76Å; N831-Y833 PolarHBondContact O-N 3.32Å; Y833-Y835 WeakPolarHBondContact O-CD2 3.46Å; Y833-Y835 PolarHBondContact O-N 3.31Å
834	N	47	Very low	64.6	Low	89 Å²	89	56 Å²	56	48%	0.476	28%	0.278	S	S	.	.			trans	-87.4	95.7	174.6	-77.4	-48.9	0	0	0	111	H53 S832 V836	H53-N834 PolarHBondContact NE2-ND2 3Å; S832-N834 PolarHBondContact O-N 3.2Å; N834-V836 HydrophobicContact CB-CG2 4.29Å; N834-V836 PolarHBondContact O-N 3.12Å
835	Y	52.4	Low	65.3	Low	114 Å²	114	55.9 Å²	55.9	45%	0.447	28%	0.277	S	S	.	.			trans	-50.3	-12	172.7	-67.2	-93.9	0	0	0	116.1	F713 H715 Y833 R846	F713-Y835 HydrophobicContact CD1-CD1 4.29Å; F713-Y835 HydrophobicContact CE1-CD1 4.18Å; F713-Y835 HydrophobicContact CE1-CE1 4.23Å; H715-Y835 AromaticContact ND1-CZ 3.89Å; H715-Y835 PolarHBondContact ND1-OH 2.97Å; Y833-Y835 WeakPolarHBondContact O-CD2 3.46Å; Y833-Y835 PolarHBondContact O-N 3.31Å; Y835-R846 PolarHBondContact O-NH2 3.1Å
836	V	58.1	Low	66.3	Low	56 Å²	56	54.1 Å²	54.1	34%	0.339	26%	0.263	S	S	.	.	S	Bend	trans	-58.3	146	-179.2	-168.5	0	0	0	0	111.4	N834 R838 T842	N834-V836 HydrophobicContact CB-CG2 4.29Å; N834-V836 PolarHBondContact O-N 3.12Å; V836-R838 HydrophobicContact CG1-CB 4.15Å; V836-R838 HydrophobicContact CG1-CG 4.15Å; V836-R838 PolarHBondContact O-N 3.41Å; V836-T842 PolarHBondContact O-OG1 3.34Å
837	T	64	Low	67.5	Low	2 Å²	2	48.8 Å²	48.8	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-4.2	172.7	43.4	0	0	0	0	115.7	E363 L373 E375 V376 S839	E363-T837 HydrophobicContact CG-CG2 3.61Å; E363-T837 VanDerWaalsContact OE1-CB 3.27Å; E363-T837 WeakPolarHBondContact OE1-CB 3.47Å; E363-T837 VanDerWaalsContact OE1-CG2 3.24Å; E363-T837 WeakPolarHBondContact OE1-CG2 3.4Å; E363-T837 PolarHBondContact OE1-N 2.79Å; E363-T837 PolarHBondContact OE1-OG1 3.18Å; L373-T837 HydrophobicContact CD2-CG2 3.96Å; L373-T837 HydrophobicContact CG-CG2 4.12Å; E375-T837 CarbonylContact C-O 3.3Å; E375-T837 VanDerWaalsContact CA-O 3.23Å; E375-T837 WeakPolarHBondContact CA-O 3.28Å; E375-T837 WeakPolarHBondContact CG-O 3.28Å; V376-T837 WeakPolarHBondContact CG2-OG1 3.49Å; V376-T837 PolarHBondContact N-O 2.86Å; T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 2.95Å
838	R	77.2	Confident	68.7	Low	159 Å²	159	44.4 Å²	44.4	60%	0.6	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	3	-179.7	-72.2	-177.4	167.5	119.2	-11.4	114.7	E378 V836	E378-R838 IonicContact OE2-CZ 3.69Å; E378-R838 IonicContact OE2-NE 3.05Å; E378-R838 PolarHBondContact OE2-NE 3.38Å; E378-R838 IonicContact OE2-NH2 3.26Å; E378-R838 PolarHBondContact OE2-NH2 3.05Å; V836-R838 HydrophobicContact CG1-CB 4.15Å; V836-R838 HydrophobicContact CG1-CG 4.15Å; V836-R838 PolarHBondContact O-N 3.41Å
839	S	77.1	Confident	69.7	Low	27 Å²	27	42.6 Å²	42.6	19%	0.189	21%	0.208	C	C	.	.			trans	-101.7	124.5	176.1	172.1	0	0	0	0	111.3	T837 V841 T842 G843	T837-S839 VanDerWaalsContact C-N 3.3Å; T837-S839 PolarHBondContact O-N 2.95Å; S839-V841 PolarHBondContact O-N 3.01Å; S839-V841 PolarHBondContact OG-N 3.47Å; S839-T842 PolarHBondContact O-N 2.95Å; S839-T842 PolarHBondContact O-OG1 2.74Å; S839-T842 VanDerWaalsContact O-OG1 3.09Å; S839-T842 PolarHBondContact OG-N 3.08Å; S839-G843 PolarHBondContact O-N 2.91Å
840	A	78.3	Confident	70.8	Confident	40 Å²	40	42.6 Å²	42.6	33%	0.331	21%	0.208	S	C	.	.	H	α-helix	trans	-62.7	-28.3	175.4	0	0	0	0	0	112.9	L310 E375 A844	L310-A840 HydrophobicContact CD1-CB 4.21Å; E375-A840 WeakPolarHBondContact OE1-CA 3.42Å; A840-A844 WeakPolarHBondContact O-CB 3.08Å; A840-A844 PolarHBondContact O-N 3.3Å
841	V	75.2	Confident	72	Confident	27 Å²	27	44.2 Å²	44.2	16%	0.164	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-44.6	174.5	179.2	0	0	0	0	110.3	I824 I829 S839 G843 A844 Y845	I824-V841 HydrophobicContact CG2-CG1 3.91Å; I829-V841 HydrophobicContact CG1-CG1 4.12Å; S839-V841 PolarHBondContact O-N 3.01Å; S839-V841 PolarHBondContact OG-N 3.47Å; V841-G843 VanDerWaalsContact C-N 3.33Å; V841-A844 PolarHBondContact O-N 3.14Å; V841-Y845 WeakPolarHBondContact O-CB 3.23Å; V841-Y845 PolarHBondContact O-N 2.81Å
842	T	75.9	Confident	73.3	Confident	12 Å²	12	39.7 Å²	39.7	7%	0.074	19%	0.19	C	C	.	.	H	α-helix	trans	-72.1	-29.8	176.7	71.6	0	0	0	0	111.6	V836 S839 Y845 R846	V836-T842 PolarHBondContact O-OG1 3.34Å; S839-T842 PolarHBondContact O-N 2.95Å; S839-T842 PolarHBondContact O-OG1 2.74Å; S839-T842 VanDerWaalsContact O-OG1 3.09Å; S839-T842 PolarHBondContact OG-N 3.08Å; T842-Y845 PolarHBondContact O-N 3.48Å; T842-R846 WeakPolarHBondContact O-CB 3.13Å; T842-R846 VanDerWaalsContact O-CD 3.26Å; T842-R846 WeakPolarHBondContact O-CD 3.45Å; T842-R846 WeakPolarHBondContact O-CG 3.19Å; T842-R846 PolarHBondContact O-N 3.18Å
843	G	82.3	Confident	74.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-55.3	168.4	0	0	0	0	0	112.5	S839 V841 Y845 R846 I847	S839-G843 PolarHBondContact O-N 2.91Å; V841-G843 VanDerWaalsContact C-N 3.33Å; G843-Y845 VanDerWaalsContact C-N 3.3Å; G843-Y845 PolarHBondContact O-N 2.93Å; G843-R846 PolarHBondContact O-N 3.47Å; G843-R846 VanDerWaalsContact O-N 3.15Å; G843-I847 WeakPolarHBondContact O-CG1 3.35Å; G843-I847 PolarHBondContact O-N 3.2Å
844	A	82.4	Confident	76.5	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-41.8	175.3	0	0	0	0	0	112.3	I824 A840 V841 I847 M848	I824-A844 HydrophobicContact CD1-CB 4.23Å; A840-A844 WeakPolarHBondContact O-CB 3.08Å; A840-A844 PolarHBondContact O-N 3.3Å; V841-A844 PolarHBondContact O-N 3.14Å; A844-I847 PolarHBondContact O-N 3.46Å; A844-M848 PolarHBondContact O-N 3.37Å
845	Y	81.6	Confident	78	Confident	4 Å²	4	36.1 Å²	36.1	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-52.9	172.9	-172.5	-69.2	0	0	0	111.7	F713 L812 A815 L819 I829 V841 T842 G843 I847 M848 L849	F713-Y845 HydrophobicContact CD2-CD1 4.02Å; F713-Y845 AromaticContact CD2-CE1 3.42Å; F713-Y845 HydrophobicContact CD2-CE1 3.42Å; F713-Y845 VanDerWaalsContact CD2-CE1 3.42Å; F713-Y845 AromaticContact CD2-CZ 3.78Å; F713-Y845 HydrophobicContact CE2-CD1 4.03Å; F713-Y845 HydrophobicContact CE2-CD2 4.3Å; F713-Y845 AromaticContact CE2-CE1 3.53Å; F713-Y845 HydrophobicContact CE2-CE1 3.53Å; F713-Y845 AromaticContact CE2-CE2 3.83Å; F713-Y845 HydrophobicContact CE2-CE2 3.83Å; F713-Y845 HydrophobicContact CE2-CG 4.46Å; F713-Y845 AromaticContact CE2-CZ 3.45Å; F713-Y845 VanDerWaalsContact CE2-CZ 3.45Å; F713-Y845 HydrophobicContact CG-CE1 4.47Å; L812-Y845 WeakPolarHBondContact CD1-OH 3.43Å; L812-Y845 WeakPolarHBondContact CG-OH 3.32Å; L812-Y845 PolarHBondContact O-OH 3.06Å; A815-Y845 HydrophobicContact CB-CE1 4.21Å; A815-Y845 HydrophobicContact CB-CE2 4.15Å; A815-Y845 WeakPolarHBondContact CB-OH 3.4Å; L819-Y845 HydrophobicContact CD1-CD2 3.14Å; L819-Y845 HydrophobicContact CD1-CE2 3.72Å; L819-Y845 HydrophobicContact CD1-CG 3.8Å; I829-Y845 HydrophobicContact CD1-CD2 4.31Å; I829-Y845 HydrophobicContact CG2-CD2 4.34Å; V841-Y845 WeakPolarHBondContact O-CB 3.23Å; V841-Y845 PolarHBondContact O-N 2.81Å; T842-Y845 PolarHBondContact O-N 3.48Å; G843-Y845 VanDerWaalsContact C-N 3.3Å; G843-Y845 PolarHBondContact O-N 2.93Å; Y845-I847 PolarHBondContact O-N 3.26Å; Y845-M848 PolarHBondContact O-N 3.45Å; Y845-L849 HydrophobicContact CD1-CB 4.29Å; Y845-L849 HydrophobicContact CE1-CB 3.95Å; Y845-L849 HydrophobicContact CE1-CD1 4.46Å; Y845-L849 HydrophobicContact CE1-CD2 4.15Å; Y845-L849 HydrophobicContact CE1-CG 4.4Å; Y845-L849 PolarHBondContact O-N 3.26Å
846	R	84.4	Confident	79	Confident	25 Å²	25	34.5 Å²	34.5	9%	0.094	17%	0.168	C	C	.	.	H	α-helix	trans	-62.5	-30	-177.4	-72.3	160.8	178.6	-126	12.2	112.2	Y374 Y835 T842 G843 H850	Y374-R846 HydrophobicContact CD1-CB 4.11Å; Y374-R846 WeakPolarHBondContact O-CD 3.34Å; Y835-R846 PolarHBondContact O-NH2 3.1Å; T842-R846 WeakPolarHBondContact O-CB 3.13Å; T842-R846 VanDerWaalsContact O-CD 3.26Å; T842-R846 WeakPolarHBondContact O-CD 3.45Å; T842-R846 WeakPolarHBondContact O-CG 3.19Å; T842-R846 PolarHBondContact O-N 3.18Å; G843-R846 PolarHBondContact O-N 3.47Å; G843-R846 VanDerWaalsContact O-N 3.15Å; R846-H850 VanDerWaalsContact O-CB 3.31Å; R846-H850 WeakPolarHBondContact O-CB 3.45Å; R846-H850 PolarHBondContact O-N 3.38Å; R846-H850 VanDerWaalsContact O-N 3.14Å
847	I	87	Confident	79.7	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.015	16%	0.158	C	C	.	.	H	α-helix	trans	-68.8	-46.2	171.3	-67.9	165.8	0	0	0	111.1	Y311 H330 T333 E335 V337 Y374 G843 A844 Y845 H850 K851	Y311-I847 HydrophobicContact CE1-CD1 4.01Å; Y311-I847 WeakPolarHBondContact OH-CD1 3.23Å; H330-I847 HydrophobicContact CB-CD1 4.18Å; T333-I847 HydrophobicContact CG2-CG2 4.2Å; T333-I847 WeakPolarHBondContact OG1-CG2 3.15Å; E335-I847 HydrophobicContact CB-CG2 3.67Å; E335-I847 HydrophobicContact CG-CG2 3.68Å; V337-I847 HydrophobicContact CG1-CD1 4.19Å; Y374-I847 HydrophobicContact CD1-CG1 3.97Å; Y374-I847 HydrophobicContact CD2-CD1 4.15Å; Y374-I847 HydrophobicContact CD2-CG1 3.53Å; Y374-I847 HydrophobicContact CE1-CG1 4.37Å; Y374-I847 HydrophobicContact CE2-CG1 3.94Å; Y374-I847 HydrophobicContact CG-CD1 4.37Å; Y374-I847 HydrophobicContact CG-CG1 3.54Å; G843-I847 WeakPolarHBondContact O-CG1 3.35Å; G843-I847 PolarHBondContact O-N 3.2Å; A844-I847 PolarHBondContact O-N 3.46Å; Y845-I847 PolarHBondContact O-N 3.26Å; I847-H850 PolarHBondContact O-N 2.85Å; I847-K851 PolarHBondContact O-N 3.39Å
848	M	85	Confident	80	Confident	9 Å²	9	35.8 Å²	35.8	4%	0.044	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-45.3	178.4	-72.2	-72	79	0	0	113.2	T333 E335 L818 L819 L822 A844 Y845 H850 K851 I852	T333-M848 VanDerWaalsContact CB-CE 3.49Å; T333-M848 HydrophobicContact CG2-CE 3.52Å; T333-M848 HydrophobicContact CG2-CG 3.74Å; T333-M848 HydrophobicContact CG2-SD 3.72Å; E335-M848 HydrophobicContact CG-CE 4.38Å; L818-M848 HydrophobicContact CB-SD 4.18Å; L818-M848 HydrophobicContact CD1-SD 4.2Å; L819-M848 HydrophobicContact CD2-CG 4.04Å; L819-M848 HydrophobicContact CG-CG 4.42Å; L822-M848 HydrophobicContact CD1-CG 4.37Å; L822-M848 HydrophobicContact CD1-SD 4.02Å; A844-M848 PolarHBondContact O-N 3.37Å; Y845-M848 PolarHBondContact O-N 3.45Å; M848-H850 VanDerWaalsContact C-N 3.28Å; M848-H850 PolarHBondContact O-N 3.44Å; M848-K851 HydrophobicContact CE-CB 3.99Å; M848-K851 HydrophobicContact CE-CD 3.42Å; M848-K851 VanDerWaalsContact CE-CD 3.42Å; M848-K851 HydrophobicContact CE-CG 4.35Å; M848-K851 WeakPolarHBondContact O-CB 3.14Å; M848-K851 PolarHBondContact O-N 2.8Å; M848-K851 VanDerWaalsContact O-N 3.08Å; M848-I852 PolarHBondContact O-N 3.06Å
849	L	81.9	Confident	79.5	Confident	5 Å²	5	30.8 Å²	30.8	3%	0.026	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-44	173.3	-173.2	71	0	0	0	110.8	E811 A815 Y845 K851 I852 H853	E811-L849 HydrophobicContact CB-CD1 4.34Å; A815-L849 HydrophobicContact CB-CB 4.49Å; A815-L849 HydrophobicContact CB-CD1 4.21Å; Y845-L849 HydrophobicContact CD1-CB 4.29Å; Y845-L849 HydrophobicContact CE1-CB 3.95Å; Y845-L849 HydrophobicContact CE1-CD1 4.46Å; Y845-L849 HydrophobicContact CE1-CD2 4.15Å; Y845-L849 HydrophobicContact CE1-CG 4.4Å; Y845-L849 PolarHBondContact O-N 3.26Å; L849-K851 VanDerWaalsContact C-N 3.35Å; L849-K851 PolarHBondContact O-N 3.21Å; L849-I852 PolarHBondContact O-N 3.27Å; L849-H853 VanDerWaalsContact CD1-NE2 3.27Å; L849-H853 WeakPolarHBondContact CD1-NE2 3.37Å; L849-H853 VanDerWaalsContact CG-NE2 3.28Å; L849-H853 WeakPolarHBondContact CG-NE2 3.01Å; L849-H853 PolarHBondContact O-CD2 2.87Å; L849-H853 PolarHBondContact O-N 3.07Å
850	H	84.8	Confident	78.8	Confident	10 Å²	10	34.4 Å²	34.4	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-36.9	175.8	-175.1	-108.3	0	0	0	113.4	Y374 E388 R846 I847 M848 H853 R854	Y374-H850 HydrophobicContact CE1-CB 3.83Å; Y374-H850 PolarHBondContact OH-ND1 2.97Å; E388-H850 VanDerWaalsContact CD-CE1 3.46Å; E388-H850 IonicContact OE1-CE1 2.86Å; E388-H850 PolarHBondContact OE1-CE1 2.92Å; E388-H850 IonicContact OE1-NE2 3.61Å; E388-H850 PolarHBondContact OE1-NE2 2.91Å; R846-H850 VanDerWaalsContact O-CB 3.31Å; R846-H850 WeakPolarHBondContact O-CB 3.45Å; R846-H850 PolarHBondContact O-N 3.38Å; R846-H850 VanDerWaalsContact O-N 3.14Å; I847-H850 PolarHBondContact O-N 2.85Å; M848-H850 VanDerWaalsContact C-N 3.28Å; M848-H850 PolarHBondContact O-N 3.44Å; H850-H853 PolarHBondContact O-N 2.71Å; H850-R854 WeakPolarHBondContact O-CB 3.44Å; H850-R854 PolarHBondContact O-N 2.92Å
851	K	85.2	Confident	77.5	Confident	76 Å²	76	34.6 Å²	34.6	33%	0.33	17%	0.169	S	C	.	.	H	α-helix	trans	-61.1	-44.4	174.2	-170.3	176.2	-173.1	146.1	0	111.1	E335 I847 M848 L849 R854 S855	E335-K851 HydrophobicContact CG-CD 4.31Å; E335-K851 VanDerWaalsContact OE1-CD 3.24Å; E335-K851 WeakPolarHBondContact OE1-CD 3.38Å; E335-K851 WeakPolarHBondContact OE1-CE 3.39Å; E335-K851 IonicContact OE1-NZ 2.68Å; E335-K851 PolarHBondContact OE1-NZ 3.17Å; I847-K851 PolarHBondContact O-N 3.39Å; M848-K851 HydrophobicContact CE-CB 3.99Å; M848-K851 HydrophobicContact CE-CD 3.42Å; M848-K851 VanDerWaalsContact CE-CD 3.42Å; M848-K851 HydrophobicContact CE-CG 4.35Å; M848-K851 WeakPolarHBondContact O-CB 3.14Å; M848-K851 PolarHBondContact O-N 2.8Å; M848-K851 VanDerWaalsContact O-N 3.08Å; L849-K851 VanDerWaalsContact C-N 3.35Å; L849-K851 PolarHBondContact O-N 3.21Å; K851-R854 WeakPolarHBondContact O-CB 3.48Å; K851-R854 PolarHBondContact O-N 3.5Å; K851-S855 PolarHBondContact O-N 3.39Å; K851-S855 PolarHBondContact O-OG 2.84Å; K851-S855 VanDerWaalsContact O-OG 3.12Å
852	I	81.7	Confident	76.3	Confident	17 Å²	17	38.3 Å²	38.3	9%	0.087	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-50.4	175.7	-65.8	159.8	0	0	0	110.8	E811 A814 A815 L818 M848 L849 R854 S855 R856	E811-I852 HydrophobicContact CG-CG2 4.42Å; A814-I852 HydrophobicContact CB-CD1 3.88Å; A815-I852 HydrophobicContact CB-CD1 3.81Å; A815-I852 VanDerWaalsContact N-CD1 3.33Å; L818-I852 HydrophobicContact CD1-CD1 4.06Å; L818-I852 HydrophobicContact CD1-CG1 4.1Å; M848-I852 PolarHBondContact O-N 3.06Å; L849-I852 PolarHBondContact O-N 3.27Å; I852-R854 PolarHBondContact O-N 2.86Å; I852-S855 PolarHBondContact O-N 3.33Å; I852-S855 VanDerWaalsContact O-N 3.15Å; I852-R856 HydrophobicContact CG2-CG 4.43Å; I852-R856 PolarHBondContact O-N 3.45Å
853	H	82.4	Confident	74.5	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-28	177.7	-65.3	-162.7	0	0	0	112.2	L710 E811 L849 H850 R857	L710-H853 HydrophobicContact CD2-CB 4.44Å; E811-H853 IonicContact OE2-CD2 3Å; E811-H853 PolarHBondContact OE2-CD2 3.49Å; E811-H853 IonicContact OE2-CE1 3.89Å; E811-H853 IonicContact OE2-CG 2.69Å; E811-H853 IonicContact OE2-NE2 2.78Å; E811-H853 PolarHBondContact OE2-NE2 3.01Å; E811-H853 VanDerWaalsContact OE2-NE2 3.17Å; L849-H853 VanDerWaalsContact CD1-NE2 3.27Å; L849-H853 WeakPolarHBondContact CD1-NE2 3.37Å; L849-H853 VanDerWaalsContact CG-NE2 3.28Å; L849-H853 WeakPolarHBondContact CG-NE2 3.01Å; L849-H853 PolarHBondContact O-CD2 2.87Å; L849-H853 PolarHBondContact O-N 3.07Å; H850-H853 PolarHBondContact O-N 2.71Å; H853-R857 WeakPolarHBondContact O-CG 3.3Å; H853-R857 PolarHBondContact O-NE 3.06Å
854	R	81.8	Confident	72.1	Confident	102 Å²	102	51.6 Å²	51.6	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-74	-51.3	172.3	-174.4	179.7	-178.1	172.7	4.1	111	H850 K851 I852 R856 R857 L858	H850-R854 WeakPolarHBondContact O-CB 3.44Å; H850-R854 PolarHBondContact O-N 2.92Å; K851-R854 WeakPolarHBondContact O-CB 3.48Å; K851-R854 PolarHBondContact O-N 3.5Å; I852-R854 PolarHBondContact O-N 2.86Å; R854-R856 PolarHBondContact O-N 3.06Å; R854-R857 PolarHBondContact O-N 3.01Å; R854-L858 HydrophobicContact CG-CD1 4.33Å; R854-L858 WeakPolarHBondContact O-CG 3.35Å; R854-L858 PolarHBondContact O-N 3.01Å
855	S	79.3	Confident	69.8	Low	64 Å²	64	56.8 Å²	56.8	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-60.2	-46.4	-177.9	-61.4	0	0	0	0	112.7	K851 I852 R857 L858 S859	K851-S855 PolarHBondContact O-N 3.39Å; K851-S855 PolarHBondContact O-OG 2.84Å; K851-S855 VanDerWaalsContact O-OG 3.12Å; I852-S855 PolarHBondContact O-N 3.33Å; I852-S855 VanDerWaalsContact O-N 3.15Å; S855-R857 VanDerWaalsContact C-N 3.29Å; S855-R857 PolarHBondContact O-N 3.27Å; S855-L858 PolarHBondContact O-N 3.41Å; S855-S859 PolarHBondContact O-N 3.32Å; S855-S859 PolarHBondContact O-OG 3.39Å
856	R	74.4	Confident	67.2	Low	79 Å²	79	63.2 Å²	63.2	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-58.3	-38.3	178.8	-74.2	-176.2	173.2	-158.3	0.3	112.9	A810 E811 I852 R854 L858 S859 Q860	A810-R856 PolarHBondContact O-NH2 3.24Å; E811-R856 VanDerWaalsContact CD-NH1 3.35Å; E811-R856 WeakPolarHBondContact OE1-CD 3.12Å; E811-R856 IonicContact OE1-CZ 3.44Å; E811-R856 IonicContact OE1-NE 3.59Å; E811-R856 IonicContact OE1-NH1 2.71Å; E811-R856 PolarHBondContact OE1-NH1 3.48Å; I852-R856 HydrophobicContact CG2-CG 4.43Å; I852-R856 PolarHBondContact O-N 3.45Å; R854-R856 PolarHBondContact O-N 3.06Å; R856-L858 VanDerWaalsContact C-N 3.31Å; R856-L858 PolarHBondContact O-N 2.82Å; R856-S859 WeakPolarHBondContact CA-OG 3.31Å; R856-S859 PolarHBondContact O-OG 2.97Å; R856-Q860 WeakPolarHBondContact O-CG 3.41Å; R856-Q860 PolarHBondContact O-N 3.37Å
857	R	72.6	Confident	64.4	Low	35 Å²	35	67.2 Å²	67.2	13%	0.132	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-24.4	175.3	-75.3	-178.4	-67.2	158.5	-1.9	113.5	H853 R854 S855	H853-R857 WeakPolarHBondContact O-CG 3.3Å; H853-R857 PolarHBondContact O-NE 3.06Å; R854-R857 PolarHBondContact O-N 3.01Å; S855-R857 VanDerWaalsContact C-N 3.29Å; S855-R857 PolarHBondContact O-N 3.27Å
858	L	70.4	Confident	61.5	Low	51 Å²	51	73.4 Å²	73.4	27%	0.267	38%	0.384	S	S	.	.	H	α-helix	trans	-81.6	-44.1	176.1	-63.5	175.4	0	0	0	110.9	Y443 R854 S855 R856 Q860 L861 D862	Y443-L858 WeakPolarHBondContact OH-CD2 3.42Å; R854-L858 HydrophobicContact CG-CD1 4.33Å; R854-L858 WeakPolarHBondContact O-CG 3.35Å; R854-L858 PolarHBondContact O-N 3.01Å; S855-L858 PolarHBondContact O-N 3.41Å; R856-L858 VanDerWaalsContact C-N 3.31Å; R856-L858 PolarHBondContact O-N 2.82Å; L858-Q860 PolarHBondContact O-N 2.92Å; L858-Q860 VanDerWaalsContact O-N 3.16Å; L858-L861 HydrophobicContact CD2-CD1 4.15Å; L858-L861 WeakPolarHBondContact O-CB 3.47Å; L858-L861 PolarHBondContact O-N 3.23Å; L858-D862 PolarHBondContact O-N 3.47Å
859	S	65.5	Low	58.6	Low	54 Å²	54	83.8 Å²	83.8	38%	0.378	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-25	175.5	50.1	0	0	0	0	113.7	S855 R856 L861 D862 Q863	S855-S859 PolarHBondContact O-N 3.32Å; S855-S859 PolarHBondContact O-OG 3.39Å; R856-S859 WeakPolarHBondContact CA-OG 3.31Å; R856-S859 PolarHBondContact O-OG 2.97Å; S859-L861 VanDerWaalsContact C-N 3.33Å; S859-D862 PolarHBondContact O-N 3.19Å; S859-Q863 WeakPolarHBondContact O-CG 3.46Å; S859-Q863 PolarHBondContact O-N 3.15Å
860	Q	62.7	Low	55.9	Low	102 Å²	102	89.9 Å²	89.9	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-27.4	172.7	-76.8	171	-14.4	0	0	113.2	R856 L858 M864	R856-Q860 WeakPolarHBondContact O-CG 3.41Å; R856-Q860 PolarHBondContact O-N 3.37Å; L858-Q860 PolarHBondContact O-N 2.92Å; L858-Q860 VanDerWaalsContact O-N 3.16Å; Q860-M864 WeakPolarHBondContact O-CG 3.49Å; Q860-M864 PolarHBondContact O-N 2.76Å
861	L	52	Low	53.1	Low	45 Å²	45	95.4 Å²	95.4	24%	0.236	49%	0.487	C	S	.	.	H	α-helix	trans	-70.8	-47.5	172.2	-67.5	162.1	0	0	0	110.7	D558 L858 S859 Q863 M864 T865	D558-L861 HydrophobicContact CB-CD1 3.85Å; D558-L861 HydrophobicContact CB-CD2 4.44Å; L858-L861 HydrophobicContact CD2-CD1 4.15Å; L858-L861 WeakPolarHBondContact O-CB 3.47Å; L858-L861 PolarHBondContact O-N 3.23Å; S859-L861 VanDerWaalsContact C-N 3.33Å; L861-Q863 PolarHBondContact O-N 3.22Å; L861-M864 PolarHBondContact O-N 3.47Å; L861-T865 PolarHBondContact O-N 2.91Å; L861-T865 PolarHBondContact O-OG1 3.08Å
862	D	49	Very low	50.2	Low	105 Å²	105	98.2 Å²	98.2	56%	0.561	51%	0.506	S	S	*	.	H	α-helix	trans	-58.2	-38.8	-178.7	-58.8	-36.1	0	0	0	110.9	L858 S859 T865	L858-D862 PolarHBondContact O-N 3.47Å; S859-D862 PolarHBondContact O-N 3.19Å; D862-T865 PolarHBondContact O-N 3.28Å; D862-T865 PolarHBondContact O-OG1 2.72Å
863	Q	38.2	Very low	47.5	Very low	138 Å²	138	104.4 Å²	104.4	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-67.8	-41.4	173.1	-71.7	176.2	-12.9	0	0	113.2	S859 L861 T865 L866	S859-Q863 WeakPolarHBondContact O-CG 3.46Å; S859-Q863 PolarHBondContact O-N 3.15Å; L861-Q863 PolarHBondContact O-N 3.22Å; Q863-T865 VanDerWaalsContact C-N 3.26Å; Q863-T865 PolarHBondContact O-N 2.96Å; Q863-L866 PolarHBondContact O-N 2.75Å
864	M	31.7	Very low	44.8	Very low	152 Å²	152	111.7 Å²	111.7	75%	0.749	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-26.4	176.8	-75.7	-177.9	175.4	0	0	113.1	Q860 L861 L866	Q860-M864 WeakPolarHBondContact O-CG 3.49Å; Q860-M864 PolarHBondContact O-N 2.76Å; L861-M864 PolarHBondContact O-N 3.47Å; M864-L866 PolarHBondContact O-N 2.81Å
865	T	35.3	Very low	42.2	Very low	110 Å²	110	116.3 Å²	116.3	68%	0.675	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	1.2	171.3	57.2	0	0	0	0	114.5	L861 D862 Q863	L861-T865 PolarHBondContact O-N 2.91Å; L861-T865 PolarHBondContact O-OG1 3.08Å; D862-T865 PolarHBondContact O-N 3.28Å; D862-T865 PolarHBondContact O-OG1 2.72Å; Q863-T865 VanDerWaalsContact C-N 3.26Å; Q863-T865 PolarHBondContact O-N 2.96Å
866	L	25.6	Very low	39.6	Very low	139 Å²	139	118.2 Å²	118.2	73%	0.728	61%	0.611	S	S	*	*			trans	-121.3	48.4	-179.9	-70.7	172.4	0	0	0	112.3	Q863 M864	Q863-L866 PolarHBondContact O-N 2.75Å; M864-L866 PolarHBondContact O-N 2.81Å
867	T	26.1	Very low	37.2	Very low	109 Å²	109	121.2 Å²	121.2	67%	0.669	63%	0.632	S	S	*	*			trans	-70.8	138.9	159.9	53.4	0	0	0	0	109.8	Y869	T867-Y869 VanDerWaalsContact C-N 3.33Å; T867-Y869 PolarHBondContact O-N 2.79Å
868	P	25.5	Very low	34.9	Very low	133 Å²	133	128.2 Å²	128.2	86%	0.864	66%	0.663	S	S	*	*			trans	-82.2	71.1	-166.2	32.9	-37.3	0	0	0	112.8	N870	P868-N870 PolarHBondContact O-N 3.24Å
869	Y	25.2	Very low	32.8	Very low	228 Å²	228	134 Å²	134	89%	0.894	69%	0.687	S	S	*	*			trans	-75.7	107.9	168.7	-125.6	-78.4	0	0	0	110.7	T867 N871	T867-Y869 VanDerWaalsContact C-N 3.33Å; T867-Y869 PolarHBondContact O-N 2.79Å; Y869-N871 PolarHBondContact O-N 3.39Å; Y869-N871 VanDerWaalsContact O-N 3.15Å
870	N	24.4	Very low	30.8	Very low	132 Å²	132	138.6 Å²	138.6	71%	0.706	71%	0.707	S	S	*	*			trans	-77.2	99.1	-169.1	-174.1	11.2	0	0	0	112.1	P868	P868-N870 PolarHBondContact O-N 3.24Å
871	N	25.8	Very low	29.2	Very low	127 Å²	127	137.9 Å²	137.9	68%	0.679	71%	0.713	S	S	*	*			trans	-179.3	115.8	132.3	-102.3	-63.8	0	0	0	114.8	Y869 N873	Y869-N871 PolarHBondContact O-N 3.39Å; Y869-N871 VanDerWaalsContact O-N 3.15Å; N871-N873 PolarHBondContact O-N 3.03Å
872	N	24.4	Very low	27.9	Very low	134 Å²	134	143 Å²	143	72%	0.717	74%	0.741	S	S	*	*			trans	15.9	89.1	134.4	-58.4	-46	0	0	0	118.7
873	N	24.7	Very low	26.9	Very low	148 Å²	148	146 Å²	146	79%	0.791	76%	0.756	S	S	*	*			trans	167.8	65.3	134.6	-94.2	-62.9	0	0	0	115.9	N871	N871-N873 PolarHBondContact O-N 3.03Å
874	M	26.3	Very low	26.3	Very low	159 Å²	159	144.1 Å²	144.1	78%	0.783	76%	0.758	S	S	*	*			trans	-135.6	125.4	156.4	-88.8	-58.8	-164.3	0	0	112.1
875	K	26.3	Very low	25.9	Very low	199 Å²	199	142.1 Å²	142.1	87%	0.865	76%	0.759	S	S	*	*			trans	-77.3	147.4	169.4	-72.8	-173.3	174.7	-175.4	0	109.9	I877	K875-I877 PolarHBondContact O-N 3.22Å
876	S	25	Very low	25.5	Very low	104 Å²	104	145 Å²	145	73%	0.727	77%	0.768	S	S	*	*			trans	-46	123	-176.5	57.1	0	0	0	0	114.6
877	I	25.3	Very low	25.6	Very low	142 Å²	142	147.5 Å²	147.5	73%	0.728	78%	0.776	S	S	*	*			trans	-94.3	95.1	157.8	-60.4	178.6	0	0	0	106.9	K875 F879	K875-I877 PolarHBondContact O-N 3.22Å; I877-F879 HydrophobicContact CG2-CD2 4.18Å; I877-F879 HydrophobicContact CG2-CE2 4.21Å; I877-F879 PolarHBondContact O-N 3.11Å
878	K	24.8	Very low	25.7	Very low	181 Å²	181	147.6 Å²	147.6	79%	0.787	78%	0.781	S	S	*	*			trans	-68.6	113.2	171.2	-72.7	-173.2	175.1	-175.3	0	109
879	F	25.1	Very low	25.6	Very low	174 Å²	174	147.2 Å²	147.2	76%	0.763	78%	0.782	S	S	*	*			trans	-85.1	138.4	155.8	-95.4	-89.9	0	0	0	108.7	I877 S881	I877-F879 HydrophobicContact CG2-CD2 4.18Å; I877-F879 HydrophobicContact CG2-CE2 4.21Å; I877-F879 PolarHBondContact O-N 3.11Å; F879-S881 PolarHBondContact O-N 2.92Å
880	N	24.2	Very low	25.7	Very low	150 Å²	150	143.9 Å²	143.9	80%	0.802	78%	0.778	S	S	*	*			trans	-70	101.8	-170.4	-78	-9.2	0	0	0	112.4	N882	N880-N882 PolarHBondContact O-N 2.79Å; N880-N882 VanDerWaalsContact O-N 3.13Å
881	S	27.9	Very low	25.7	Very low	86 Å²	86	145.3 Å²	145.3	60%	0.601	78%	0.78	S	S	*	*			trans	-76	87.2	169	55.4	0	0	0	0	110.9	F879 L883	F879-S881 PolarHBondContact O-N 2.92Å; S881-L883 PolarHBondContact O-N 3.24Å
882	N	24.8	Very low	25.7	Very low	154 Å²	154	147.5 Å²	147.5	82%	0.824	79%	0.791	S	S	*	*			trans	-73.1	55.8	163.9	-80.1	5.2	0	0	0	110.7	N880	N880-N882 PolarHBondContact O-N 2.79Å; N880-N882 VanDerWaalsContact O-N 3.13Å
883	L	27.9	Very low	25.7	Very low	167 Å²	167	148.7 Å²	148.7	87%	0.874	79%	0.792	S	S	*	*			trans	-133.8	21.1	178.6	-129	88.9	0	0	0	111.8	S881	S881-L883 PolarHBondContact O-N 3.24Å
884	S	25.5	Very low	26	Very low	99 Å²	99	146.4 Å²	146.4	69%	0.692	79%	0.786	S	S	*	*			trans	-129.6	58.6	179.8	62.5	0	0	0	0	110.8
885	S	24.9	Very low	25.9	Very low	110 Å²	110	147.7 Å²	147.7	77%	0.769	79%	0.79	S	S	*	*			trans	-136.4	25.8	176.7	73.9	0	0	0	0	113.3
886	I	26.1	Very low	26	Very low	170 Å²	170	144.3 Å²	144.3	87%	0.872	78%	0.781	S	S	*	*			trans	-136.1	68.4	161.3	-49.6	179.9	0	0	0	107.5
887	Q	27.4	Very low	26.2	Very low	191 Å²	191	147 Å²	147	89%	0.893	79%	0.787	S	S	*	*	S	Bend	trans	-140.1	123.4	159.4	-144.4	165.7	-2.2	0	0	105.9
888	S	28.3	Very low	26.2	Very low	111 Å²	111	149.4 Å²	149.4	78%	0.776	79%	0.788	S	S	*	*			trans	-72.8	137.5	-161	47.3	0	0	0	0	112.9	I890	S888-I890 PolarHBondContact O-N 3.09Å
889	S	23	Very low	26.5	Very low	126 Å²	126	147.3 Å²	147.3	88%	0.881	79%	0.786	S	S	*	*			trans	-62.1	101.6	175.7	-49.8	0	0	0	0	112.4
890	I	28.2	Very low	27	Very low	158 Å²	158	143.1 Å²	143.1	81%	0.81	78%	0.776	S	S	*	*			trans	-130.1	112.7	149.5	-59	-178.5	0	0	0	105.8	S888	S888-I890 PolarHBondContact O-N 3.09Å
891	H	23.9	Very low	27.1	Very low	162 Å²	162	142.3 Å²	142.3	75%	0.75	77%	0.772	S	S	*	*			trans	-127.9	99.2	-180	-172.5	24.3	0	0	0	108.6
892	L	26.8	Very low	27.2	Very low	172 Å²	172	145.5 Å²	145.5	90%	0.901	78%	0.777	S	S	*	*			trans	-134.1	99.9	159.8	-76	179.6	0	0	0	107.3
893	E	23.2	Very low	27.4	Very low	159 Å²	159	143.8 Å²	143.8	74%	0.743	77%	0.768	S	S	*	*			trans	-115.5	169.6	161.8	-112.6	-170.3	-130	0	0	106.3
894	P	31.5	Very low	27.5	Very low	101 Å²	101	144.2 Å²	144.2	66%	0.656	77%	0.765	S	S	*	*			cis	-129.7	173.4	-1.6	38.8	-23.4	0	0	0	114.3
895	E	24	Very low	27.4	Very low	186 Å²	186	147 Å²	147	87%	0.869	77%	0.772	S	S	*	*			trans	-126.8	144.3	144.9	-83.4	-153.7	167.2	0	0	110.5
896	N	28.6	Very low	28	Very low	128 Å²	128	145.9 Å²	145.9	68%	0.684	76%	0.763	S	S	*	*			trans	-164	106.9	166	-108.1	-54.1	0	0	0	110.1
897	N	28.6	Very low	28.1	Very low	159 Å²	159	145.9 Å²	145.9	85%	0.85	76%	0.757	S	S	*	*			trans	-175.7	79.1	131.6	-93.2	-20.3	0	0	0	112.7
898	Y	26.5	Very low	28.2	Very low	193 Å²	193	144.8 Å²	144.8	76%	0.757	75%	0.749	S	S	*	*				38.1	134	126.9	-100	-84.8	0	0	0	122.6
899	N	29.7	Very low	28.1	Very low	137 Å²	137	144.1 Å²	144.1	73%	0.733	75%	0.745	S	S	*	*			trans	100.5	154.8	136.3	-108.8	14.4	0	0	0	119.7
900	P	36.6	Very low	28.3	Very low	86 Å²	86	146.5 Å²	146.5	56%	0.558	74%	0.741	S	S	*	*				-141.4	177.9	-103.8	43.1	-24.7	0	0	0	115.5
901	N	27	Very low	28.3	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	74%	0.742	S	S	*	*				168.7	154	116.3	-98.4	-49.3	0	0	0	116.3
902	Q	29.5	Very low	28.3	Very low	154 Å²	154	145 Å²	145	72%	0.72	74%	0.744	S	S	*	*			trans	69.6	126.1	143.5	-76.3	176.7	25.9	0	0	123.6
903	N	27.7	Very low	28.6	Very low	117 Å²	117	142.4 Å²	142.4	63%	0.626	74%	0.737	S	S	*	*			trans	92.2	119.2	131.2	-71.7	-15.9	0	0	0	123.1
904	Q	30.6	Very low	28.7	Very low	176 Å²	176	144.9 Å²	144.9	82%	0.822	74%	0.741	S	S	*	*			trans	80.5	104.1	132.4	-65.1	172.3	25.2	0	0	120.9
905	N	23.8	Very low	28.3	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	74%	0.741	S	S	*	*			trans	-64	173.7	144.1	-104.7	-24.8	0	0	0	111.6
906	P	37.6	Very low	28.3	Very low	88 Å²	88	142.8 Å²	142.8	57%	0.571	74%	0.737	S	S	*	*			cis	-134.4	-178.4	-9.6	38.9	-21.7	0	0	0	114.3
907	F	27.7	Very low	28.2	Very low	170 Å²	170	145.2 Å²	145.2	75%	0.746	74%	0.741	S	S	*	*				170	141.4	117.9	-98.8	-61.6	0	0	0	117.2
908	K	28.9	Very low	28.1	Very low	168 Å²	168	145.3 Å²	145.3	73%	0.73	74%	0.737	S	S	*	*			trans	64.5	125.8	143.1	-85.6	160.7	-179.2	175.2	0	124.2
909	S	27	Very low	27.9	Very low	97 Å²	97	142.5 Å²	142.5	68%	0.678	74%	0.735	S	S	*	*			trans	69.1	148.8	135.5	63.7	0	0	0	0	120.4
910	H	27.5	Very low	27.9	Very low	175 Å²	175	144.9 Å²	144.9	81%	0.81	74%	0.741	S	S	*	*			cis	-164	168.4	-10.8	-111.1	-26.7	0	0	0	111.8
911	T	27.2	Very low	27.3	Very low	133 Å²	133	145.3 Å²	145.3	82%	0.816	75%	0.746	S	S	*	*			trans	68.4	150.7	154.3	37	0	0	0	0	122.4
912	I	24.4	Very low	27.4	Very low	157 Å²	157	145.9 Å²	145.9	81%	0.805	75%	0.748	S	S	*	*			trans	-143.8	128.8	-176.7	-73.5	163.8	0	0	0	106.9
913	P	33.5	Very low	27.4	Very low	116 Å²	116	146.8 Å²	146.8	75%	0.753	75%	0.749	S	S	*	*				-151.5	145.2	117	36.9	-19	0	0	0	117.6
914	Y	24	Very low	27.2	Very low	212 Å²	212	147.8 Å²	147.8	83%	0.831	75%	0.754	S	S	*	*			trans	31.1	112.4	137.7	-77.5	-85.7	0	0	0	123.4
915	S	23.9	Very low	27	Very low	92 Å²	92	146.5 Å²	146.5	64%	0.643	75%	0.753	S	S	*	*				49.2	127.1	125.5	69.5	0	0	0	0	122.7
916	L	25	Very low	27.2	Very low	151 Å²	151	143 Å²	143	79%	0.791	74%	0.737	S	S	*	*				-179.5	135.8	102.8	-99.1	161.8	0	0	0	115.2
917	K	25.1	Very low	26.8	Very low	178 Å²	178	144.4 Å²	144.4	77%	0.774	74%	0.74	S	S	*	*			trans	32.5	148.2	143.5	-83.5	-179.6	-178.7	173.8	0	124.4
918	Q	26.1	Very low	27	Very low	162 Å²	162	144.4 Å²	144.4	76%	0.757	74%	0.739	S	S	*	*			trans	95.1	97.5	146.1	-82.4	172.5	-0.6	0	0	120.8
919	N	23.7	Very low	27.1	Very low	134 Å²	134	141.9 Å²	141.9	72%	0.717	73%	0.734	S	S	*	*				41.8	127	117.8	-55.9	9.2	0	0	0	120.4
920	H	29.3	Very low	27.1	Very low	187 Å²	187	143.3 Å²	143.3	87%	0.866	73%	0.734	S	S	*	*			trans	-123.5	132.6	131	-114.2	-77	0	0	0	110.2
921	S	24.3	Very low	27.3	Very low	95 Å²	95	141 Å²	141	66%	0.664	73%	0.727	S	S	*	*			trans	-130.6	137.9	178.4	-50.5	0	0	0	0	110
922	I	28.3	Very low	27.2	Very low	145 Å²	145	140.7 Å²	140.7	74%	0.744	72%	0.72	S	S	*	*			trans	-168.9	140.5	172.3	-97	139.2	0	0	0	106.4
923	K	28.8	Very low	27.4	Very low	173 Å²	173	141.1 Å²	141.1	75%	0.752	72%	0.719	S	S	*	*			cis	-148.8	135.3	-21.4	-94.1	171.6	-179.6	174.8	0	104.6
924	L	24.1	Very low	26.9	Very low	137 Å²	137	143 Å²	143	72%	0.717	72%	0.718	S	S	*	*				57.9	100.9	75.1	-72	171.3	0	0	0	115.4	T926	L924-T926 HydrophobicContact CD2-CG2 3.82Å
925	N	27.2	Very low	26.9	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	71%	0.714	S	S	*	*				-158.4	132.5	107.8	-86.1	-15.2	0	0	0	107.8
926	T	27.9	Very low	27.1	Very low	84 Å²	84	139.2 Å²	139.2	52%	0.515	72%	0.722	S	S	.	*			cis	79.5	113.6	34.1	74.6	0	0	0	0	115.2	L924	L924-T926 HydrophobicContact CD2-CG2 3.82Å
927	N	28.6	Very low	27.1	Very low	117 Å²	117	139 Å²	139	63%	0.626	72%	0.722	S	S	*	*				174.4	121.6	108.9	-84.7	-44	0	0	0	110
928	K	32.9	Very low	27.2	Very low	169 Å²	169	138 Å²	138	74%	0.735	73%	0.725	S	S	*	*				89.3	147.5	96.7	-72.3	-177.5	178.5	172.6	0	113.1
929	N	29.9	Very low	27.2	Very low	116 Å²	116	137.1 Å²	137.1	62%	0.62	73%	0.725	S	S	*	*			cis	-159	149.2	2	-121.1	3.6	0	0	0	111.8
930	L	28.2	Very low	27.4	Very low	127 Å²	127	138 Å²	138	67%	0.665	73%	0.73	S	S	*	*			trans	57.5	159.4	136.6	-62	174.2	0	0	0	120.4
931	D	30.6	Very low	27.4	Very low	127 Å²	127	135 Å²	135	68%	0.679	72%	0.721	S	S	*	*			cis	-138.8	-179.5	16.1	-108.6	-49.8	0	0	0	114.6
932	N	25.9	Very low	27.7	Very low	126 Å²	126	133.6 Å²	133.6	67%	0.674	72%	0.721	S	S	*	*			trans	-55.3	-179	-173.7	-47.7	-55.2	0	0	0	117
933	E	27.1	Very low	28	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	72%	0.72	S	S	*	*			cis	-154.5	-156.7	21.4	-154	155.4	-134	0	0	115.5
934	Q	24.7	Very low	28.4	Very low	155 Å²	155	130.7 Å²	130.7	72%	0.724	71%	0.709	S	S	*	*			trans	-97.4	156	-144.2	-62.8	159.1	33.4	0	0	117.8
935	S	23.8	Very low	29	Very low	109 Å²	109	126.2 Å²	126.2	76%	0.762	69%	0.69	S	S	*	*			trans	59.2	136	146.6	73.8	0	0	0	0	119.6
936	S	27.1	Very low	29.5	Very low	116 Å²	116	122.4 Å²	122.4	81%	0.811	68%	0.679	S	S	*	*				-174.9	-177.4	65	49.5	0	0	0	0	112.2
937	N	24.8	Very low	29.9	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	68%	0.684	S	S	*	*			trans	-69.5	141.6	-171.8	-62.2	-40.8	0	0	0	114.8
938	N	26.8	Very low	30.2	Very low	155 Å²	155	125.9 Å²	125.9	83%	0.829	69%	0.687	S	S	*	*				-174	162.7	108.2	-104.9	-53.9	0	0	0	116
939	N	27.4	Very low	30.5	Very low	144 Å²	144	119.1 Å²	119.1	77%	0.77	66%	0.659	S	S	*	*			trans	-71	129.8	-177.6	-68	-54.4	0	0	0	113.5
940	N	28	Very low	30.8	Very low	152 Å²	152	117.6 Å²	117.6	81%	0.813	66%	0.656	S	S	*	*			trans	-172.2	87.6	149	-104.3	-44.8	0	0	0	112.4
941	N	28.1	Very low	31	Very low	126 Å²	126	121.5 Å²	121.5	67%	0.674	66%	0.664	S	S	*	*			trans	-127.2	74.3	175.1	-85.7	-22.6	0	0	0	111.3	K944	N941-K944 WeakPolarHBondContact OD1-CD 3.41Å; N941-K944 PolarHBondContact OD1-NZ 3.06Å
942	G	31.2	Very low	31.1	Very low	64 Å²	64	122.2 Å²	122.2	66%	0.66	67%	0.667	S	S	*	*	S	Bend	trans	-117.4	-12.2	178.1	0	0	0	0	0	116.5
943	N	35.7	Very low	31.4	Very low	137 Å²	137	123.6 Å²	123.6	73%	0.733	67%	0.672	S	S	*	*	S	Bend	trans	-136	18.6	-168.1	-85.4	-50.5	0	0	0	114.9
944	K	36	Very low	31.6	Very low	121 Å²	121	121.5 Å²	121.5	53%	0.526	67%	0.667	S	S	.	*	S	Bend	trans	-95.3	-21.3	-174.6	-70.7	176.9	-174	158.1	0	115.2	N941 R948	N941-K944 WeakPolarHBondContact OD1-CD 3.41Å; N941-K944 PolarHBondContact OD1-NZ 3.06Å; K944-R948 WeakPolarHBondContact O-CB 3.14Å; K944-R948 PolarHBondContact O-N 2.84Å
945	S	37	Very low	31.9	Very low	43 Å²	43	119.7 Å²	119.7	30%	0.301	66%	0.664	S	S	.	*	H	α-helix	trans	-67	-51.8	-176.8	44.7	0	0	0	0	113	E828 S947 R948 L949	E828-S945 WeakPolarHBondContact OE1-CB 3.43Å; S945-S947 VanDerWaalsContact C-N 3.32Å; S945-S947 PolarHBondContact O-N 3.38Å; S945-R948 PolarHBondContact O-N 2.73Å; S945-L949 PolarHBondContact O-N 2.89Å
946	A	37.7	Very low	32.4	Very low	69 Å²	69	120.3 Å²	120.3	57%	0.57	66%	0.659	S	S	*	*	H	α-helix	trans	-56.5	-41	-177.5	0	0	0	0	0	113.7	C950	A946-C950 PolarHBondContact O-SG 2.7Å
947	S	36.4	Very low	32.7	Very low	89 Å²	89	120.5 Å²	120.5	62%	0.622	65%	0.65	S	S	*	*	H	α-helix	trans	-73.5	-26.9	177.1	-58	0	0	0	0	113.3	S945	S945-S947 VanDerWaalsContact C-N 3.32Å; S945-S947 PolarHBondContact O-N 3.38Å
948	R	35.1	Very low	33.2	Very low	185 Å²	185	118.9 Å²	118.9	70%	0.698	64%	0.641	S	S	*	*	H	α-helix	trans	-80.1	-36.9	-178.6	-157.7	171.3	-164.3	161.1	3.7	111.7	K944 S945 C950 Y951 L952	K944-R948 WeakPolarHBondContact O-CB 3.14Å; K944-R948 PolarHBondContact O-N 2.84Å; S945-R948 PolarHBondContact O-N 2.73Å; R948-C950 VanDerWaalsContact C-N 3.29Å; R948-C950 PolarHBondContact O-N 2.77Å; R948-Y951 PolarHBondContact O-N 3.01Å; R948-L952 PolarHBondContact O-N 3.18Å
949	L	38	Very low	33.6	Very low	27 Å²	27	116.5 Å²	116.5	14%	0.141	63%	0.629	C	S	.	*	H	α-helix	trans	-62.9	-36.2	173.2	-161.5	71.6	0	0	0	111.7	L332 I824 S945 Y951 L952 I953	L332-L949 HydrophobicContact CD1-CD2 4.02Å; I824-L949 HydrophobicContact CD1-CD2 4.5Å; I824-L949 HydrophobicContact CG1-CD1 4.47Å; I824-L949 HydrophobicContact CG1-CD2 4.19Å; S945-L949 PolarHBondContact O-N 2.89Å; L949-Y951 PolarHBondContact O-N 2.81Å; L949-L952 PolarHBondContact O-N 2.82Å; L949-I953 WeakPolarHBondContact O-CG1 3.29Å
950	C	36.5	Very low	34.1	Very low	84 Å²	84	114.5 Å²	114.5	57%	0.568	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-0.3	172.9	-68.2	0	0	0	0	115	A946 R948	A946-C950 PolarHBondContact O-SG 2.7Å; R948-C950 VanDerWaalsContact C-N 3.29Å; R948-C950 PolarHBondContact O-N 2.77Å
951	Y	33.2	Very low	34.6	Very low	209 Å²	209	111.6 Å²	111.6	82%	0.82	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	-1.4	176.5	-155.8	-90	0	0	0	112.1	R948 L949	R948-Y951 PolarHBondContact O-N 3.01Å; L949-Y951 PolarHBondContact O-N 2.81Å
952	L	33	Very low	35.1	Very low	142 Å²	142	110.4 Å²	110.4	74%	0.743	60%	0.598	S	S	*	*			trans	-104.9	13	173.3	-72.7	165.4	0	0	0	111.9	R948 L949	R948-L952 PolarHBondContact O-N 3.18Å; L949-L952 PolarHBondContact O-N 2.82Å
953	I	31.3	Very low	35.4	Very low	155 Å²	155	114.6 Å²	114.6	80%	0.795	59%	0.592	S	S	*	*			trans	-125.7	0	178.3	-58.4	171.7	0	0	0	108.2	L332 L949	L332-I953 HydrophobicContact CD2-CD1 3.88Å; L949-I953 WeakPolarHBondContact O-CG1 3.29Å

Retrieved 953 of 953 residues in 549.9 ms (Link to these results)

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