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PR domain zinc finger protein 1

Transcription factor that mediates a transcriptional program in various innate and adaptive immune tissue-resident lymphocyte T cell types such as tissue-resident memory T (Trm), natural killer (trNK) and natural killer T (NKT) cells and negatively regulates gene expression of proteins that promote the egress of tissue-resident T-cell populations from non-lymphoid organs. Plays a role in the development, retention and long-term establishment of adaptive and innate tissue-resident lymphocyte T cell types in non-lymphoid organs, such as the skin and gut, but also in other nonbarrier tissues like liver and kidney, and therefore may provide immediate immunological protection against reactivating infections or viral reinfection. Binds specifically to the PRDI element in the promoter of the beta-interferon gene. Drives the maturation of B-lymphocytes into Ig secreting cells. Associates with the transcriptional repressor ZNF683 to chromatin at gene promoter regions.

AlphaFold DB , UniProt , Accession A0A096MJU6, Species RAT (Rattus norvegicus, Rat), Gene Prdm1, Length 857 aa.

						>A0A096MJU6_RAT|A0A096MJU6|Prdm1
MSEAYLRCWIFSWKSVWVRPCQGLHFKTRLLQGSLLYTALDSYSTVQAAPKCNSGSVKFQGLAETSGIMKMDMEDADMTLWTEAEFEEKCTYIVNDHPWDSSADGGTSVQAEASLPRNLLFKYAANNSKEVIGVVSKEYIPKGTRFGPLIGEVYTNDTVPKNANRKYFWRIYSREEFHHFIDGFNEEKSNWMRYVNPAHSAREQNLAACQNGMNIYFYTIKPIPANQELLVWYCRDFAERLHYPYPGELTVMNLTQTESNPKQYSSEKNELYPKSVPKREYSVKEILKLDSNPSKRKDSYRSNISPYTSEKDMDGFRKNGSPDMPFYPRVVYPIRAPLPEDFLKASLAYGMERPTYITHSPLPSSTTPSPPASSSPEQSLKSASPHGSPGNTVSPVVPGPPEHRDSYSYLNVSYGSEGLGSYPGYAPAPHLPPAFIPSYNAHYPKFLLPPYGISSNGLSTMNNINGINNFSLFPRLYPVYSNLLSGGNLPHPMLNPASLPSSLPTDGARRLLPPEHPREVLVPAPHSAFSLTGAAASMKDESSPPSGSPTAGTAATSEHVVQPKATSSVMAAPSTDGAMNLIKNKRNMTGYKTLPYPLKKQNGKIKYECNVCAKTFGQLSNLKVHLRVHSGERPFKCQTCNKGFTQLAHLQKHYLVHTGEKPHECQVCHKRFSSTSNLKTHLRLHSGEKPYQCKVCPAKFTQFVHLKLHKRLHTRDRPHKCAQCHKSYIHLCSLKVHLKGNCPVVPAPGLPLEDLTRINEEIERFDLSDNADRLEDMEDSVDVTSMVEKEILAIVRKEKEETGLKMSLQKTMGSRLPSSGCSLYESSDLSLMKLPHSNSLPLVPVKVKQETVEPMDP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	30.6	Very low	219 Å²	219	140.5 Å²	140.5	100%	1.079	68%	0.678	S	S	*	*				0	-39.3	0	-86.1	-171.4	173.8	0	0	113.6	E3 A4	M1-E3 PolarHBondContact O-N 2.69Å; M1-A4 PolarHBondContact O-N 2.91Å
2	S	30.1	Very low	30.6	Very low	92 Å²	92	137.3 Å²	137.3	64%	0.643	68%	0.682	S	S	*	*	H	α-helix	trans	-49.2	-48.1	179.8	36.9	0	0	0	0	114.9	A4 Y5	S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 3.14Å; S2-Y5 PolarHBondContact O-N 3.45Å
3	E	27	Very low	30.1	Very low	132 Å²	132	139.8 Å²	139.8	62%	0.617	68%	0.679	S	S	*	*	H	α-helix	trans	-59.8	-32.6	-176.6	-65.3	-173.7	93.4	0	0	114.9	M1 Y5 L6 R7	M1-E3 PolarHBondContact O-N 2.69Å; E3-Y5 PolarHBondContact O-N 2.94Å; E3-L6 PolarHBondContact O-N 3.3Å; E3-R7 PolarHBondContact O-N 3.23Å
4	A	32.9	Very low	29.8	Very low	65 Å²	65	141.4 Å²	141.4	54%	0.537	68%	0.681	S	S	.	*	H	α-helix	trans	-64.9	-28.6	-178.4	0	0	0	0	0	112.3	M1 S2 C8	M1-A4 PolarHBondContact O-N 2.91Å; S2-A4 VanDerWaalsContact C-N 3.29Å; S2-A4 PolarHBondContact O-N 3.14Å; A4-C8 PolarHBondContact O-SG 3.41Å
5	Y	33.3	Very low	29.7	Very low	145 Å²	145	139.6 Å²	139.6	57%	0.569	69%	0.689	S	S	*	*	H	α-helix	trans	-75.8	-39.4	175.7	-92.4	-94.3	0	0	0	112.3	S2 E3 R7 C8 H730	S2-Y5 PolarHBondContact O-N 3.45Å; E3-Y5 PolarHBondContact O-N 2.94Å; Y5-R7 PolarHBondContact O-N 3.4Å; Y5-C8 PolarHBondContact O-N 2.78Å; Y5-H730 PolarHBondContact OH-CE1 2.85Å; Y5-H730 PolarHBondContact OH-NE2 3.29Å
6	L	32.8	Very low	29.7	Very low	118 Å²	118	138.7 Å²	138.7	62%	0.618	69%	0.693	S	S	*	*	H	α-helix	trans	-64.4	-40.8	177.9	-83.2	81.4	0	0	0	112.1	E3 C8 W9	E3-L6 PolarHBondContact O-N 3.3Å; L6-C8 PolarHBondContact O-N 3.15Å; L6-C8 VanDerWaalsContact O-N 3.16Å; L6-W9 PolarHBondContact O-N 3.28Å; L6-W9 VanDerWaalsContact O-N 3.14Å
7	R	28.8	Very low	29.4	Very low	178 Å²	178	143.2 Å²	143.2	67%	0.672	70%	0.7	S	S	*	*	H	α-helix	trans	-63.8	-20.1	179.7	-69.1	-172.5	-177.8	-174.4	2.9	113.7	E3 Y5	E3-R7 PolarHBondContact O-N 3.23Å; Y5-R7 PolarHBondContact O-N 3.4Å
8	C	27.5	Very low	29.4	Very low	63 Å²	63	142.7 Å²	142.7	43%	0.426	71%	0.706	S	S	.	*	H	α-helix	trans	-75.7	-24.7	175.6	-69.4	0	0	0	0	114	A4 Y5 L6	A4-C8 PolarHBondContact O-SG 3.41Å; Y5-C8 PolarHBondContact O-N 2.78Å; L6-C8 PolarHBondContact O-N 3.15Å; L6-C8 VanDerWaalsContact O-N 3.16Å
9	W	28.5	Very low	29.2	Very low	215 Å²	215	144.7 Å²	144.7	81%	0.814	71%	0.705	S	S	*	*	H	α-helix	trans	-87.2	-26.9	179.5	-101.3	58.4	0	0	0	113.5	L6 F11	L6-W9 PolarHBondContact O-N 3.28Å; L6-W9 VanDerWaalsContact O-N 3.14Å; W9-F11 PolarHBondContact O-N 3.44Å
10	I	34.3	Very low	29.4	Very low	126 Å²	126	142.8 Å²	142.8	65%	0.646	70%	0.704	S	S	*	*	H	α-helix	trans	-77.8	-21.1	-173.5	-65.6	170.6	0	0	0	112.5	S12	I10-S12 PolarHBondContact O-N 3.25Å
11	F	29.1	Very low	29.2	Very low	192 Å²	192	141 Å²	141	84%	0.842	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	12	-168.9	-109.1	-79.6	0	0	0	116.6	W9	W9-F11 PolarHBondContact O-N 3.44Å
12	S	30.1	Very low	29.1	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-21.5	-179.7	-154	0	0	0	0	114.2	I10	I10-S12 PolarHBondContact O-N 3.25Å
13	W	25.2	Very low	29	Very low	170 Å²	170	139.2 Å²	139.2	64%	0.644	70%	0.704	S	S	*	*	S	Bend	trans	-121	83.7	-177.1	-75	6.3	0	0	0	111.7	V656	W13-V656 HydrophobicContact CD2-CG1 4.21Å; W13-V656 HydrophobicContact CE3-CG1 4.3Å; W13-V656 HydrophobicContact CH2-CB 4.19Å; W13-V656 HydrophobicContact CH2-CG1 3.65Å; W13-V656 HydrophobicContact CH2-CG2 3.76Å; W13-V656 HydrophobicContact CZ2-CB 4.19Å; W13-V656 HydrophobicContact CZ2-CG1 3.51Å; W13-V656 HydrophobicContact CZ2-CG2 3.6Å; W13-V656 HydrophobicContact CZ3-CG1 4.03Å
14	K	25.1	Very low	29.2	Very low	162 Å²	162	141 Å²	141	70%	0.704	72%	0.717	S	S	*	*			trans	173.3	86	155.6	-100.2	166.4	-175.9	-173.1	0	110.2	Y477	K14-Y477 PolarHBondContact NZ-OH 2.89Å; K14-Y477 VanDerWaalsContact NZ-OH 3.16Å
15	S	29.2	Very low	28.9	Very low	114 Å²	114	145.9 Å²	145.9	80%	0.797	73%	0.728	S	S	*	*			trans	-168.9	120.9	158.1	-82	0	0	0	0	111.3
16	V	28.9	Very low	28.8	Very low	125 Å²	125	148.5 Å²	148.5	76%	0.758	74%	0.743	S	S	*	*			trans	30.9	108	133.7	-174.2	0	0	0	0	116.4
17	W	25.1	Very low	28.5	Very low	216 Å²	216	150.8 Å²	150.8	82%	0.818	75%	0.748	S	S	*	*				63.9	156.4	61.9	-82	89.3	0	0	0	116.1
18	V	29.5	Very low	28.4	Very low	134 Å²	134	148.2 Å²	148.2	81%	0.812	75%	0.753	S	S	*	*			trans	86.3	114	176.7	-169.3	0	0	0	0	116.4
19	R	25.7	Very low	28.5	Very low	180 Å²	180	156.5 Å²	156.5	68%	0.679	78%	0.775	S	S	*	*			trans	-91.5	-176.6	170.5	-94	-178	174.1	-159.5	4	109.2	N641	R19-N641 PolarHBondContact NH2-OD1 2.84Å
20	P	32.5	Very low	28.5	Very low	106 Å²	106	153.5 Å²	153.5	69%	0.688	77%	0.774	S	S	*	*			cis	-140.4	-152.4	-36.4	38.2	-17.3	0	0	0	111.8
21	C	25.3	Very low	28.4	Very low	107 Å²	107	156 Å²	156	72%	0.723	79%	0.787	S	S	*	*			trans	100	135.8	150.9	-82.2	0	0	0	0	120.2
22	Q	30.4	Very low	28.4	Very low	195 Å²	195	155.6 Å²	155.6	91%	0.911	79%	0.788	S	S	*	*			trans	61.7	132.7	163.1	-60.2	164.6	16.9	0	0	116.5
23	G	26.7	Very low	28.5	Very low	77 Å²	77	154.7 Å²	154.7	79%	0.794	80%	0.795	S	S	*	*			cis	131.2	80.2	-0.7	0	0	0	0	0	111.7
24	L	31.4	Very low	28.7	Very low	169 Å²	169	151.8 Å²	151.8	89%	0.885	80%	0.801	S	S	*	*			trans	-147	149	177.7	-110.4	164.6	0	0	0	111.5
25	H	27	Very low	29.1	Very low	168 Å²	168	151.8 Å²	151.8	78%	0.778	81%	0.808	S	S	*	*			trans	-126.5	120.5	-166.9	-160.2	-63.2	0	0	0	108.6
26	F	31.4	Very low	29.3	Very low	201 Å²	201	152.7 Å²	152.7	88%	0.882	80%	0.803	S	S	*	*			trans	-131.7	156.8	173.4	-106.3	-87.4	0	0	0	112.2
27	K	26.7	Very low	29.2	Very low	166 Å²	166	157 Å²	157	72%	0.722	81%	0.807	S	S	*	*			trans	-146.5	153.9	-153.1	-156.8	-177.5	-173.2	-178.9	0	110.4
28	T	27.3	Very low	29.6	Very low	124 Å²	124	153 Å²	153	76%	0.761	81%	0.807	S	S	*	*			trans	70.2	156.8	173.8	76.4	0	0	0	0	114.4
29	R	28.7	Very low	29.5	Very low	237 Å²	237	150.9 Å²	150.9	89%	0.894	80%	0.803	S	S	*	*			cis	-125.8	159.5	17.1	-68.6	178.9	172.3	-175.5	-3.6	114.4
30	L	27.9	Very low	29.9	Very low	152 Å²	152	150.6 Å²	150.6	80%	0.796	82%	0.815	S	S	*	*			trans	-80.1	155.3	165.9	-82.7	154.8	0	0	0	111
31	L	33.1	Very low	29.6	Very low	177 Å²	177	153 Å²	153	93%	0.927	82%	0.822	S	S	*	*			trans	-128.7	133.8	149.7	-81.1	169.5	0	0	0	107.4
32	Q	29.2	Very low	30.1	Very low	185 Å²	185	153.1 Å²	153.1	86%	0.864	82%	0.824	S	S	*	*			trans	-103.3	143.5	174.3	-72.1	173.6	-90.1	0	0	109.6
33	G	33	Very low	30.2	Very low	84 Å²	84	154.7 Å²	154.7	87%	0.866	82%	0.823	S	S	*	*			trans	-142.8	126.7	167.4	0	0	0	0	0	108.7
34	S	29	Very low	30.2	Very low	109 Å²	109	155.8 Å²	155.8	76%	0.762	82%	0.818	S	S	*	*			trans	-136.5	131.1	-170.6	54.6	0	0	0	0	111.4
35	L	34.1	Very low	30.1	Very low	162 Å²	162	154 Å²	154	85%	0.848	81%	0.814	S	S	*	*			trans	-171.5	108.1	159.8	-91.9	139.7	0	0	0	104.7
36	L	32.2	Very low	30.2	Very low	133 Å²	133	152.1 Å²	152.1	70%	0.696	82%	0.815	S	S	*	*				74.4	112.3	71.2	-69.3	174.8	0	0	0	114
37	Y	26.7	Very low	30.2	Very low	214 Å²	214	151.7 Å²	151.7	84%	0.839	82%	0.815	S	S	*	*			trans	44.5	146	151.5	-62.7	-99.2	0	0	0	119.6
38	T	33.1	Very low	30.4	Very low	134 Å²	134	148.5 Å²	148.5	82%	0.822	82%	0.82	S	S	*	*			cis	-146.2	176.7	38.6	44.4	0	0	0	0	112.7
39	A	28.2	Very low	30.6	Very low	89 Å²	89	147.1 Å²	147.1	74%	0.736	82%	0.821	S	S	*	*			trans	-108.7	153.7	173.3	0	0	0	0	0	112
40	L	34.3	Very low	31	Very low	174 Å²	174	142 Å²	142	91%	0.911	82%	0.818	S	S	*	*			trans	-144.6	125.3	161.9	-77.8	179.6	0	0	0	109.8
41	D	26.1	Very low	31.1	Very low	157 Å²	157	144.3 Å²	144.3	84%	0.84	82%	0.822	S	S	*	*			trans	-81.5	151.7	165.3	-68.6	-69.9	0	0	0	111
42	S	35.2	Very low	31	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	82%	0.821	S	S	*	*			trans	-171.9	121.2	141.8	20.6	0	0	0	0	115.1
43	Y	32.4	Very low	31.1	Very low	227 Å²	227	141.2 Å²	141.2	89%	0.89	82%	0.821	S	S	*	*			trans	41.2	108.1	138.9	-69.4	-88.8	0	0	0	122.3
44	S	26.8	Very low	30.9	Very low	100 Å²	100	143.1 Å²	143.1	70%	0.699	82%	0.821	S	S	*	*				3.8	135.6	127.2	-175.2	0	0	0	0	119.7
45	T	30.4	Very low	31.1	Very low	131 Å²	131	141.7 Å²	141.7	80%	0.804	82%	0.824	S	S	*	*				-155.9	144.3	124.4	-78.4	0	0	0	0	110.4
46	V	27.6	Very low	30.9	Very low	130 Å²	130	139.5 Å²	139.5	79%	0.788	82%	0.823	S	S	*	*			trans	-101.1	138.5	176.4	174.7	0	0	0	0	110
47	Q	32.8	Very low	30.9	Very low	191 Å²	191	139.6 Å²	139.6	89%	0.893	83%	0.828	S	S	*	*			trans	-148	164.4	158.4	-112.9	171.9	26.1	0	0	112.4
48	A	30.7	Very low	31	Very low	100 Å²	100	138.2 Å²	138.2	83%	0.826	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-102.3	166.1	-151.2	0	0	0	0	0	115.7
49	A	31.4	Very low	31	Very low	94 Å²	94	141.4 Å²	141.4	78%	0.777	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-90.2	160.8	176.1	0	0	0	0	0	113
50	P	37.6	Very low	31	Very low	129 Å²	129	145.7 Å²	145.7	84%	0.838	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-99.8	158	153.1	35.5	-29.6	0	0	0	112.4
51	K	29.4	Very low	30.9	Very low	201 Å²	201	140.9 Å²	140.9	87%	0.874	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-92.3	154.1	-179.4	-56.8	164.9	-176.6	171.6	0	110.9
52	C	31.2	Very low	31	Very low	134 Å²	134	142 Å²	142	91%	0.905	83%	0.832	S	S	*	*			trans	-137.3	149.6	160.4	-83.6	0	0	0	0	110.6
53	N	31.3	Very low	30.9	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-80.1	145.7	-164.1	-74	-14.2	0	0	0	114.4
54	S	29.1	Very low	30.7	Very low	124 Å²	124	139.8 Å²	139.8	87%	0.867	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-76.9	119.5	159.8	53	0	0	0	0	110.9
55	G	32.9	Very low	31	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-98.7	132.5	166.3	0	0	0	0	0	110.7
56	S	29.2	Very low	30.9	Very low	116 Å²	116	141.8 Å²	141.8	81%	0.811	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-93.9	135.7	-176.2	53.6	0	0	0	0	112.8
57	V	33.4	Very low	31.1	Very low	135 Å²	135	138.6 Å²	138.6	82%	0.818	84%	0.841	S	S	*	*			trans	-134.4	119.8	159.1	-179.1	0	0	0	0	107.7
58	K	28.1	Very low	31	Very low	184 Å²	184	137.8 Å²	137.8	80%	0.8	84%	0.841	S	S	*	*			trans	-85.9	142.8	165.7	-72.7	-179.1	175.8	-179.7	0	108.8
59	F	31.9	Very low	31.2	Very low	201 Å²	201	141.3 Å²	141.3	88%	0.882	84%	0.843	S	S	*	*			trans	-138.7	135.9	147.5	-116.4	-86	0	0	0	109.4
60	Q	29	Very low	31.4	Very low	179 Å²	179	143.1 Å²	143.1	84%	0.836	83%	0.833	S	S	*	*			trans	-105.6	143.2	172.8	-67.6	169.9	-86.2	0	0	108.1
61	G	31.4	Very low	31.6	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	82%	0.82	S	S	*	*			trans	-171.7	120.3	176	0	0	0	0	0	110.1
62	L	30	Very low	32.4	Very low	181 Å²	181	137.2 Å²	137.2	95%	0.948	80%	0.802	S	S	*	*			trans	-79.2	143.5	-176.3	-63.3	80.4	0	0	0	111.2
63	A	32	Very low	33.5	Very low	99 Å²	99	132.6 Å²	132.6	82%	0.818	77%	0.767	S	S	*	*				-167.4	142.3	129.9	0	0	0	0	0	109.8
64	E	28.4	Very low	34.7	Very low	189 Å²	189	131.2 Å²	131.2	88%	0.883	76%	0.756	S	S	*	*			trans	-89.2	143.4	-178.7	-60.5	161.8	125.6	0	0	111.4
65	T	32.5	Very low	36.1	Very low	145 Å²	145	132 Å²	132	89%	0.89	75%	0.75	S	S	*	*			trans	-160.7	137.7	150	4.5	0	0	0	0	109.9
66	S	28.5	Very low	37.8	Very low	129 Å²	129	128.4 Å²	128.4	90%	0.902	71%	0.713	S	S	*	*			trans	-78.5	125	-176.1	42.5	0	0	0	0	112.1
67	G	31.6	Very low	40.3	Very low	62 Å²	62	127.9 Å²	127.9	64%	0.639	70%	0.701	S	S	*	*			trans	-163.8	101.2	-178.3	0	0	0	0	0	114.8	M69	G67-M69 PolarHBondContact O-N 3.46Å
68	I	31.8	Very low	42.9	Very low	174 Å²	174	121.6 Å²	121.6	89%	0.892	66%	0.662	S	S	*	*			trans	22.2	89.3	154.4	-47.8	177.7	0	0	0	115.4	K70	I68-K70 PolarHBondContact O-N 2.87Å
69	M	33.3	Very low	45.4	Very low	174 Å²	174	114.7 Å²	114.7	86%	0.857	64%	0.636	S	S	*	*			trans	-68.2	115	175.2	-74.6	177.9	166.5	0	0	112.2	G67 M71	G67-M69 PolarHBondContact O-N 3.46Å; M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 3.2Å; M69-M71 VanDerWaalsContact O-N 3.1Å
70	K	36.8	Very low	47.9	Very low	133 Å²	133	109.1 Å²	109.1	58%	0.578	62%	0.615	S	S	*	*			trans	-72.9	88	153.8	-73.3	172.1	176.3	173	0	108.1	I68 D72 E775 D776	I68-K70 PolarHBondContact O-N 2.87Å; K70-D72 PolarHBondContact O-N 2.97Å; K70-E775 PolarHBondContact NZ-O 2.92Å; K70-D776 WeakPolarHBondContact CE-OD1 3.35Å; K70-D776 IonicContact NZ-OD1 2.63Å; K70-D776 PolarHBondContact NZ-OD1 3.1Å
71	M	40.9	Very low	50.8	Low	113 Å²	113	101.6 Å²	101.6	56%	0.557	58%	0.579	S	S	*	*			trans	-75	112.7	-179.4	-162.3	152.8	55.8	0	0	109.7	M69 M73 A76	M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 3.2Å; M69-M71 VanDerWaalsContact O-N 3.1Å; M71-M73 PolarHBondContact O-N 3.5Å; M71-A76 HydrophobicContact CE-CB 3.77Å; M71-A76 HydrophobicContact CG-CB 3.97Å; M71-A76 HydrophobicContact SD-CB 4.28Å
72	D	47.1	Very low	53.6	Low	93 Å²	93	100.2 Å²	100.2	50%	0.497	56%	0.555	S	S	.	*			trans	-62.6	130.3	174	-137.7	-32.7	0	0	0	107.9	K70 E74 D75 A76 K604	K70-D72 PolarHBondContact O-N 2.97Å; D72-E74 PolarHBondContact O-N 3.24Å; D72-D75 PolarHBondContact O-N 3.21Å; D72-A76 PolarHBondContact O-N 3.18Å; D72-K604 IonicContact OD1-NZ 3.16Å; D72-K604 PolarHBondContact OD1-NZ 3.12Å; D72-K604 IonicContact OD2-NZ 3.1Å; D72-K604 PolarHBondContact OD2-NZ 3.27Å
73	M	54.6	Low	56.6	Low	36 Å²	36	92.6 Å²	92.6	18%	0.177	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.1	-161.1	-171.7	164	170.4	0	0	113.8	M71 M78 W81 T91 K142	M71-M73 PolarHBondContact O-N 3.5Å; M73-M78 HydrophobicContact CE-CE 4.2Å; M73-M78 HydrophobicContact CE-SD 3.84Å; M73-W81 HydrophobicContact CE-CH2 3.78Å; M73-W81 HydrophobicContact CE-CZ3 4.06Å; M73-W81 HydrophobicContact SD-CH2 4.42Å; M73-T91 HydrophobicContact CE-CG2 4.26Å; M73-T91 HydrophobicContact SD-CG2 3.4Å; M73-T91 WeakPolarHBondContact SD-CG2 3.19Å; M73-K142 WeakPolarHBondContact O-CD 3.36Å; M73-K142 WeakPolarHBondContact O-CE 3.42Å; M73-K142 PolarHBondContact O-NZ 3.31Å
74	E	55.8	Low	59.4	Low	135 Å²	135	91.1 Å²	91.1	63%	0.631	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-41.5	171.7	-70.8	164.4	-160.3	0	0	110.9	D72 K142 K604	D72-E74 PolarHBondContact O-N 3.24Å; E74-K142 PolarHBondContact O-NZ 2.94Å; E74-K604 WeakPolarHBondContact OE1-CE 3.25Å
75	D	58.8	Low	62.5	Low	141 Å²	141	84.6 Å²	84.6	75%	0.754	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-21.6	-179.7	-65.2	-38.2	0	0	0	114.3	D72 D77	D72-D75 PolarHBondContact O-N 3.21Å; D75-D77 PolarHBondContact O-N 3.16Å; D75-D77 VanDerWaalsContact O-N 3.16Å
76	A	68.4	Low	65.3	Low	4 Å²	4	77.8 Å²	77.8	3%	0.033	43%	0.43	C	S	.	.			trans	-62.5	113.3	-175.6	0	0	0	0	0	113.1	M71 D72 M78 W81 K142	M71-A76 HydrophobicContact CE-CB 3.77Å; M71-A76 HydrophobicContact CG-CB 3.97Å; M71-A76 HydrophobicContact SD-CB 4.28Å; D72-A76 PolarHBondContact O-N 3.18Å; A76-M78 PolarHBondContact O-N 2.85Å; A76-W81 HydrophobicContact CB-CZ2 4.21Å; A76-K142 VanDerWaalsContact O-CE 3.29Å; A76-K142 WeakPolarHBondContact O-CE 3.46Å; A76-K142 PolarHBondContact O-NZ 3.28Å
77	D	82.3	Confident	68.4	Low	104 Å²	104	76.2 Å²	76.2	56%	0.556	41%	0.409	S	S	*	.			trans	-64	132.8	171.7	-166.2	-15.1	0	0	0	110.2	D75 T79 W81	D75-D77 PolarHBondContact O-N 3.16Å; D75-D77 VanDerWaalsContact O-N 3.16Å; D77-T79 VanDerWaalsContact CG-OG1 3.23Å; D77-T79 WeakPolarHBondContact OD1-CB 3.45Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.42Å; D77-T79 PolarHBondContact OD1-N 2.95Å; D77-T79 PolarHBondContact OD1-OG1 2.89Å; D77-T79 PolarHBondContact OD2-OG1 2.91Å; D77-W81 PolarHBondContact O-NE1 2.86Å
78	M	86.7	Confident	71.2	Confident	3 Å²	3	80.4 Å²	80.4	2%	0.015	41%	0.412	C	S	.	.			trans	-110.3	-2.3	-177.1	-66.8	178.2	59.2	0	0	113	M73 A76 L80 W81 F86 K142 T219 I220	M73-M78 HydrophobicContact CE-CE 4.2Å; M73-M78 HydrophobicContact CE-SD 3.84Å; A76-M78 PolarHBondContact O-N 2.85Å; M78-L80 VanDerWaalsContact C-N 3.33Å; M78-L80 PolarHBondContact O-N 3.49Å; M78-W81 HydrophobicContact CB-CD2 4.24Å; M78-W81 HydrophobicContact CE-CE3 4.02Å; M78-W81 HydrophobicContact CE-CH2 4.37Å; M78-W81 HydrophobicContact CE-CZ3 3.77Å; M78-W81 HydrophobicContact CG-CD2 3.98Å; M78-W81 HydrophobicContact CG-CE3 4.06Å; M78-W81 HydrophobicContact CG-CH2 3.83Å; M78-W81 HydrophobicContact CG-CZ2 3.72Å; M78-W81 HydrophobicContact CG-CZ3 3.98Å; M78-W81 PolarHBondContact O-N 3.24Å; M78-W81 HydrophobicContact SD-CH2 4.21Å; M78-W81 HydrophobicContact SD-CZ3 4.21Å; M78-F86 HydrophobicContact CE-CD1 4.01Å; M78-F86 HydrophobicContact CE-CE1 3.64Å; M78-F86 WeakPolarHBondContact O-CZ 3.47Å; M78-K142 HydrophobicContact SD-CD 4.23Å; M78-K142 HydrophobicContact SD-CG 3.67Å; M78-T219 WeakPolarHBondContact CE-O 3.38Å; M78-I220 HydrophobicContact CB-CB 4.11Å; M78-I220 HydrophobicContact CB-CG2 3.96Å; M78-I220 HydrophobicContact CE-CG2 4.48Å
79	T	81.7	Confident	73.9	Confident	39 Å²	39	75.5 Å²	75.5	24%	0.239	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.8	-178.5	50.7	0	0	0	0	113.1	D77 P246	D77-T79 VanDerWaalsContact CG-OG1 3.23Å; D77-T79 WeakPolarHBondContact OD1-CB 3.45Å; D77-T79 WeakPolarHBondContact OD1-CG2 3.42Å; D77-T79 PolarHBondContact OD1-N 2.95Å; D77-T79 PolarHBondContact OD1-OG1 2.89Å; D77-T79 PolarHBondContact OD2-OG1 2.91Å; T79-P246 HydrophobicContact CG2-CB 4.07Å
80	L	83.7	Confident	76.5	Confident	84 Å²	84	68.4 Å²	68.4	44%	0.44	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	19.1	-176.5	-59.8	178.3	0	0	0	113.8	M78 R235 Y245	M78-L80 VanDerWaalsContact C-N 3.33Å; M78-L80 PolarHBondContact O-N 3.49Å; L80-R235 PolarHBondContact O-NH1 3.19Å; L80-R235 PolarHBondContact O-NH2 2.97Å; L80-Y245 HydrophobicContact CD2-CE2 4.28Å
81	W	89.6	Confident	78.9	Confident	22 Å²	22	63.1 Å²	63.1	8%	0.083	33%	0.33	C	S	.	.			trans	-75.3	142	175.3	-75.7	16.9	0	0	0	111.6	M73 A76 D77 M78 E85 F86 K89	M73-W81 HydrophobicContact CE-CH2 3.78Å; M73-W81 HydrophobicContact CE-CZ3 4.06Å; M73-W81 HydrophobicContact SD-CH2 4.42Å; A76-W81 HydrophobicContact CB-CZ2 4.21Å; D77-W81 PolarHBondContact O-NE1 2.86Å; M78-W81 HydrophobicContact CB-CD2 4.24Å; M78-W81 HydrophobicContact CE-CE3 4.02Å; M78-W81 HydrophobicContact CE-CH2 4.37Å; M78-W81 HydrophobicContact CE-CZ3 3.77Å; M78-W81 HydrophobicContact CG-CD2 3.98Å; M78-W81 HydrophobicContact CG-CE3 4.06Å; M78-W81 HydrophobicContact CG-CH2 3.83Å; M78-W81 HydrophobicContact CG-CZ2 3.72Å; M78-W81 HydrophobicContact CG-CZ3 3.98Å; M78-W81 PolarHBondContact O-N 3.24Å; M78-W81 HydrophobicContact SD-CH2 4.21Å; M78-W81 HydrophobicContact SD-CZ3 4.21Å; W81-E85 HydrophobicContact CB-CB 4.13Å; W81-E85 HydrophobicContact CD2-CB 4.4Å; W81-E85 HydrophobicContact CE3-CB 4.41Å; W81-E85 HydrophobicContact CG-CB 4.31Å; W81-F86 HydrophobicContact CB-CD2 3.81Å; W81-F86 HydrophobicContact CB-CE2 3.58Å; W81-F86 HydrophobicContact CB-CZ 4.13Å; W81-F86 HydrophobicContact CE3-CD1 4.34Å; W81-F86 HydrophobicContact CE3-CG 4.48Å; W81-F86 WeakPolarHBondContact O-CE2 3.42Å; W81-K89 HydrophobicContact CD2-CD 4.22Å; W81-K89 HydrophobicContact CE3-CB 4.28Å; W81-K89 HydrophobicContact CE3-CD 4.04Å; W81-K89 HydrophobicContact CH2-CB 3.66Å; W81-K89 HydrophobicContact CH2-CD 3.62Å; W81-K89 HydrophobicContact CH2-CG 4.28Å; W81-K89 HydrophobicContact CZ2-CD 3.82Å; W81-K89 HydrophobicContact CZ3-CB 3.44Å; W81-K89 VanDerWaalsContact CZ3-CB 3.44Å; W81-K89 HydrophobicContact CZ3-CD 3.76Å; W81-K89 HydrophobicContact CZ3-CG 4.23Å
82	T	91.7	Very high	81.4	Confident	44 Å²	44	60.2 Å²	60.2	27%	0.27	31%	0.313	S	S	.	.			trans	-71	158.9	168.6	57	0	0	0	0	112.1	A84 E85 F86 R235 D236	T82-A84 PolarHBondContact O-N 3Å; T82-E85 WeakPolarHBondContact CB-OE2 3.44Å; T82-E85 PolarHBondContact N-OE2 3.25Å; T82-E85 WeakPolarHBondContact O-CB 3.31Å; T82-E85 PolarHBondContact O-N 2.82Å; T82-E85 WeakPolarHBondContact OG1-CB 3.36Å; T82-E85 WeakPolarHBondContact OG1-CG 3.38Å; T82-E85 PolarHBondContact OG1-N 3.1Å; T82-E85 PolarHBondContact OG1-OE2 2.85Å; T82-F86 WeakPolarHBondContact O-CD2 3.42Å; T82-F86 PolarHBondContact O-N 3.12Å; T82-R235 VanDerWaalsContact CG2-NH2 3.25Å; T82-D236 WeakPolarHBondContact CA-OD2 3.3Å; T82-D236 VanDerWaalsContact CB-OD2 3.26Å; T82-D236 WeakPolarHBondContact CB-OD2 3.15Å
83	E	92.5	Very high	83.5	Confident	22 Å²	22	57.5 Å²	57.5	10%	0.103	30%	0.298	C	S	.	.	H	α-helix	trans	-58.6	-32.2	176.1	-66.8	177.2	127	0	0	112.6	E87 C209 Q210 N211 C234 D236 R240	E83-E87 PolarHBondContact O-N 3.37Å; E83-C209 HydrophobicContact CB-CB 4.4Å; E83-C209 HydrophobicContact CG-CB 3.98Å; E83-Q210 WeakPolarHBondContact OE1-CB 3.16Å; E83-Q210 PolarHBondContact OE1-N 3.17Å; E83-N211 PolarHBondContact O-ND2 2.88Å; E83-C234 WeakPolarHBondContact CG-SG 3.3Å; E83-D236 HydrophobicContact CG-CB 4.12Å; E83-D236 PolarHBondContact N-OD2 3.25Å; E83-R240 VanDerWaalsContact CD-NH2 3.29Å; E83-R240 IonicContact OE1-CZ 3.46Å; E83-R240 IonicContact OE1-NH1 3.6Å; E83-R240 IonicContact OE1-NH2 2.84Å; E83-R240 PolarHBondContact OE1-NH2 2.94Å; E83-R240 IonicContact OE2-CZ 2.64Å; E83-R240 VanDerWaalsContact OE2-CZ 3.28Å; E83-R240 IonicContact OE2-NH1 2.72Å; E83-R240 PolarHBondContact OE2-NH1 3.41Å; E83-R240 IonicContact OE2-NH2 2.69Å; E83-R240 PolarHBondContact OE2-NH2 3.14Å
84	A	91.4	Very high	85.3	Confident	68 Å²	68	57.2 Å²	57.2	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-68.1	-41.8	173.2	0	0	0	0	0	112.3	T82 E87 E88	T82-A84 PolarHBondContact O-N 3Å; A84-E87 PolarHBondContact O-N 3.42Å; A84-E88 WeakPolarHBondContact O-CB 3.48Å; A84-E88 PolarHBondContact O-N 3.09Å
85	E	92.5	Very high	87	Confident	52 Å²	52	53 Å²	53	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-37.6	176	-74.7	170.4	101.9	0	0	112.4	W81 T82 E87 E88 K89	W81-E85 HydrophobicContact CB-CB 4.13Å; W81-E85 HydrophobicContact CD2-CB 4.4Å; W81-E85 HydrophobicContact CE3-CB 4.41Å; W81-E85 HydrophobicContact CG-CB 4.31Å; T82-E85 WeakPolarHBondContact CB-OE2 3.44Å; T82-E85 PolarHBondContact N-OE2 3.25Å; T82-E85 WeakPolarHBondContact O-CB 3.31Å; T82-E85 PolarHBondContact O-N 2.82Å; T82-E85 WeakPolarHBondContact OG1-CB 3.36Å; T82-E85 WeakPolarHBondContact OG1-CG 3.38Å; T82-E85 PolarHBondContact OG1-N 3.1Å; T82-E85 PolarHBondContact OG1-OE2 2.85Å; E85-E87 VanDerWaalsContact C-N 3.28Å; E85-E87 PolarHBondContact O-N 3.23Å; E85-E88 PolarHBondContact O-N 2.78Å; E85-K89 HydrophobicContact CB-CD 4.09Å; E85-K89 HydrophobicContact CG-CD 4.43Å; E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 WeakPolarHBondContact O-CG 3.31Å; E85-K89 PolarHBondContact O-N 2.83Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.39Å
86	F	92.5	Very high	88.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-57.9	-40.6	172.7	-86.2	-77	0	0	0	111.9	M78 W81 T82 C90 A207 C209 Y218 I220 C234	M78-F86 HydrophobicContact CE-CD1 4.01Å; M78-F86 HydrophobicContact CE-CE1 3.64Å; M78-F86 WeakPolarHBondContact O-CZ 3.47Å; W81-F86 HydrophobicContact CB-CD2 3.81Å; W81-F86 HydrophobicContact CB-CE2 3.58Å; W81-F86 HydrophobicContact CB-CZ 4.13Å; W81-F86 HydrophobicContact CE3-CD1 4.34Å; W81-F86 HydrophobicContact CE3-CG 4.48Å; W81-F86 WeakPolarHBondContact O-CE2 3.42Å; T82-F86 WeakPolarHBondContact O-CD2 3.42Å; T82-F86 PolarHBondContact O-N 3.12Å; F86-C90 VanDerWaalsContact O-CB 3.28Å; F86-C90 WeakPolarHBondContact O-CB 3.41Å; F86-C90 PolarHBondContact O-N 3.29Å; F86-A207 HydrophobicContact CE1-CB 3.88Å; F86-A207 HydrophobicContact CE2-CB 4.37Å; F86-A207 HydrophobicContact CZ-CB 3.6Å; F86-C209 WeakPolarHBondContact CD2-SG 3.37Å; F86-C209 VanDerWaalsContact CG-SG 3.58Å; F86-Y218 HydrophobicContact CB-CD1 4.16Å; F86-Y218 HydrophobicContact CB-CD2 4.17Å; F86-Y218 HydrophobicContact CB-CE1 4.07Å; F86-Y218 HydrophobicContact CB-CE2 4.1Å; F86-Y218 HydrophobicContact CB-CG 4.2Å; F86-Y218 VanDerWaalsContact CD1-CB 3.49Å; F86-Y218 AromaticContact CD1-CD1 3.99Å; F86-Y218 HydrophobicContact CD1-CD1 3.99Å; F86-Y218 HydrophobicContact CD1-CD2 4.12Å; F86-Y218 AromaticContact CD1-CG 3.63Å; F86-Y218 HydrophobicContact CD1-CG 3.63Å; F86-Y218 HydrophobicContact CE1-CG 4.4Å; F86-Y218 HydrophobicContact CG-CD2 4.37Å; F86-Y218 HydrophobicContact CG-CG 4.27Å; F86-Y218 WeakPolarHBondContact O-CE1 3.35Å; F86-I220 HydrophobicContact CE1-CG2 3.9Å; F86-I220 HydrophobicContact CZ-CG2 3.96Å; F86-C234 HydrophobicContact CD2-CB 4.46Å; F86-C234 HydrophobicContact CE2-CB 3.89Å
87	E	91.9	Very high	89.3	Confident	95 Å²	95	50 Å²	50	44%	0.444	26%	0.262	S	S	.	.	H	α-helix	trans	-76.2	-41.4	176.8	175.4	162.5	-148.2	0	0	113.9	E83 A84 E85 C90 N211	E83-E87 PolarHBondContact O-N 3.37Å; A84-E87 PolarHBondContact O-N 3.42Å; E85-E87 VanDerWaalsContact C-N 3.28Å; E85-E87 PolarHBondContact O-N 3.23Å; E87-C90 PolarHBondContact O-SG 2.95Å; E87-N211 VanDerWaalsContact CB-ND2 3.28Å; E87-N211 WeakPolarHBondContact CB-ND2 3.39Å; E87-N211 WeakPolarHBondContact OE2-CB 3.36Å; E87-N211 PolarHBondContact OE2-ND2 2.71Å
88	E	90.7	Very high	89.3	Confident	150 Å²	150	49.5 Å²	49.5	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-67.4	-42.3	178.7	-177.3	174.2	-150.7	0	0	112.4	A84 E85	A84-E88 WeakPolarHBondContact O-CB 3.48Å; A84-E88 PolarHBondContact O-N 3.09Å; E85-E88 PolarHBondContact O-N 2.78Å
89	K	88.7	Confident	88.3	Confident	71 Å²	71	54 Å²	54	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-95.7	-0.3	-170.5	-56.6	173	-178.6	175.4	0	113.9	W81 E85 T91	W81-K89 HydrophobicContact CD2-CD 4.22Å; W81-K89 HydrophobicContact CE3-CB 4.28Å; W81-K89 HydrophobicContact CE3-CD 4.04Å; W81-K89 HydrophobicContact CH2-CB 3.66Å; W81-K89 HydrophobicContact CH2-CD 3.62Å; W81-K89 HydrophobicContact CH2-CG 4.28Å; W81-K89 HydrophobicContact CZ2-CD 3.82Å; W81-K89 HydrophobicContact CZ3-CB 3.44Å; W81-K89 VanDerWaalsContact CZ3-CB 3.44Å; W81-K89 HydrophobicContact CZ3-CD 3.76Å; W81-K89 HydrophobicContact CZ3-CG 4.23Å; E85-K89 HydrophobicContact CB-CD 4.09Å; E85-K89 HydrophobicContact CG-CD 4.43Å; E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 WeakPolarHBondContact O-CG 3.31Å; E85-K89 PolarHBondContact O-N 2.83Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.39Å; K89-T91 PolarHBondContact O-N 2.99Å
90	C	88.7	Confident	87.3	Confident	26 Å²	26	57.8 Å²	57.8	18%	0.176	30%	0.3	C	S	.	.			trans	-62.4	133.8	179.2	63.7	0	0	0	0	112.7	F86 E87 Y218	F86-C90 VanDerWaalsContact O-CB 3.28Å; F86-C90 WeakPolarHBondContact O-CB 3.41Å; F86-C90 PolarHBondContact O-N 3.29Å; E87-C90 PolarHBondContact O-SG 2.95Å; C90-Y218 HydrophobicContact CB-CD1 4.14Å; C90-Y218 HydrophobicContact CB-CE1 3.83Å
91	T	87.6	Confident	86	Confident	22 Å²	22	58.6 Å²	58.6	14%	0.135	31%	0.312	C	S	.	.			trans	-92.6	-33.8	-175.9	37.2	0	0	0	0	112.7	M73 K89 K142 G143 Y607	M73-T91 HydrophobicContact CE-CG2 4.26Å; M73-T91 HydrophobicContact SD-CG2 3.4Å; M73-T91 WeakPolarHBondContact SD-CG2 3.19Å; K89-T91 PolarHBondContact O-N 2.99Å; T91-K142 PolarHBondContact OG1-O 3.14Å; T91-G143 PolarHBondContact N-O 3.32Å; T91-G143 WeakPolarHBondContact OG1-CA 3.45Å; T91-G143 PolarHBondContact OG1-O 3.38Å; T91-Y607 PolarHBondContact O-OH 3.45Å
92	Y	91.6	Very high	83.9	Confident	51 Å²	51	61.8 Å²	61.8	20%	0.2	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149	-176.8	-52.9	-80.4	0	0	0	111.2	P141 G143 T144 R145 I605	Y92-P141 HydrophobicContact CD2-CB 3.66Å; Y92-P141 HydrophobicContact CD2-CG 4.04Å; Y92-P141 HydrophobicContact CE2-CB 3.35Å; Y92-P141 HydrophobicContact CE2-CG 3.78Å; Y92-G143 PolarHBondContact N-O 3.46Å; Y92-T144 WeakPolarHBondContact O-CA 3.32Å; Y92-R145 PolarHBondContact O-N 3.48Å; Y92-I605 HydrophobicContact CE1-CB 3.9Å; Y92-I605 HydrophobicContact CE1-CD1 3.7Å; Y92-I605 HydrophobicContact CE1-CG1 4.34Å; Y92-I605 HydrophobicContact CE1-CG2 4.07Å
93	I	92.9	Very high	81.7	Confident	36 Å²	36	65.2 Å²	65.2	19%	0.185	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.1	174.7	-58.9	175.7	0	0	0	107.4	N95 L619	I93-N95 WeakPolarHBondContact CG2-OD1 3.45Å; I93-L619 HydrophobicContact CD1-CD2 4.07Å
94	V	92	Very high	79.5	Confident	30 Å²	30	71.5 Å²	71.5	18%	0.182	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120	171	175.9	0	0	0	0	107.2	P116 N118 T144 R145 F146	V94-P116 HydrophobicContact CG1-CB 3.57Å; V94-P116 HydrophobicContact CG1-CG 3.87Å; V94-N118 WeakPolarHBondContact CG1-OD1 3.49Å; V94-T144 HydrophobicContact CB-CG2 4.33Å; V94-T144 HydrophobicContact CG2-CG2 3.64Å; V94-R145 PolarHBondContact N-O 3.25Å; V94-F146 HydrophobicContact CB-CD1 3.83Å; V94-F146 HydrophobicContact CB-CE1 3.74Å; V94-F146 HydrophobicContact CB-CZ 4.45Å; V94-F146 HydrophobicContact CG1-CD1 3.84Å; V94-F146 HydrophobicContact CG1-CE1 3.63Å; V94-F146 HydrophobicContact CG2-CE1 4.19Å
95	N	90.9	Very high	77.2	Confident	46 Å²	46	72 Å²	72	25%	0.246	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-99.5	157.5	175	-38.9	-74	0	0	0	110.1	I93 Y591	I93-N95 WeakPolarHBondContact CG2-OD1 3.45Å; N95-Y591 HydrophobicContact CB-CD2 3.24Å; N95-Y591 HydrophobicContact CB-CE2 3.67Å; N95-Y591 HydrophobicContact CB-CG 3.89Å
96	D	90.1	Very high	75.2	Confident	18 Å²	18	72.4 Å²	72.4	10%	0.096	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-53.2	154.3	173.6	-66.3	8.1	0	0	0	112.9	S114 N190 W191	D96-S114 WeakPolarHBondContact CA-O 3.47Å; D96-S114 WeakPolarHBondContact CB-O 3.39Å; D96-N190 WeakPolarHBondContact OD2-CB 3.45Å; D96-N190 PolarHBondContact OD2-ND2 3.33Å; D96-W191 PolarHBondContact OD1-NE1 2.82Å
97	H	86.2	Confident	73.4	Confident	66 Å²	66	79.4 Å²	79.4	31%	0.306	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-72.1	135.8	176.6	-151	35	0	0	0	110.8	W99 S114 R117	H97-W99 PolarHBondContact O-N 3.44Å; H97-S114 PolarHBondContact N-O 3.31Å; H97-R117 VanDerWaalsContact CE1-CZ 3.43Å; H97-R117 PolarHBondContact CE1-NE 2.66Å; H97-R117 PolarHBondContact CE1-NH2 2.95Å; H97-R117 PolarHBondContact NE2-NE 3.31Å; H97-R117 VanDerWaalsContact NE2-NE 3.11Å; H97-R117 PolarHBondContact NE2-NH2 3.31Å
98	P	80.9	Confident	72.1	Confident	93 Å²	93	77.4 Å²	77.4	60%	0.604	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-62.4	123.7	-178.8	-25.1	36	0	0	0	112.2
99	W	67.2	Low	71.8	Confident	98 Å²	98	72 Å²	72	37%	0.371	45%	0.452	S	S	.	.			trans	-107.9	126.1	173.4	171.9	-102.8	0	0	0	109.6	H97 S101 S108 A113	H97-W99 PolarHBondContact O-N 3.44Å; W99-S101 PolarHBondContact NE1-OG 3.19Å; W99-S108 WeakPolarHBondContact CH2-O 3.44Å; W99-A113 HydrophobicContact CD2-CB 4.1Å; W99-A113 HydrophobicContact CE3-CB 3.24Å; W99-A113 HydrophobicContact CH2-CB 4.44Å; W99-A113 HydrophobicContact CZ3-CB 3.44Å; W99-A113 VanDerWaalsContact CZ3-CB 3.44Å
100	D	59	Low	71.8	Confident	118 Å²	118	70.9 Å²	70.9	63%	0.631	45%	0.448	S	S	*	.			trans	-112.1	111.4	171.3	-89.2	-53.4	0	0	0	108.5	S102	D100-S102 PolarHBondContact O-N 3.33Å
101	S	57	Low	71.8	Confident	101 Å²	101	69.7 Å²	69.7	71%	0.706	44%	0.439	S	S	*	.			trans	-70	64	176.9	-52.6	0	0	0	0	112.4	W99	W99-S101 PolarHBondContact NE1-OG 3.19Å
102	S	46	Very low	72	Confident	88 Å²	88	71.3 Å²	71.3	62%	0.615	45%	0.446	S	S	*	.			trans	-110.1	81.1	-172	-67.2	0	0	0	0	112.9	D100 D104	D100-S102 PolarHBondContact O-N 3.33Å; S102-D104 PolarHBondContact O-N 3.23Å
103	A	46.1	Very low	71.9	Confident	117 Å²	117	70.1 Å²	70.1	97%	0.967	45%	0.446	S	S	*	.	S	Bend	trans	51.1	-4.4	145.6	0	0	0	0	0	121.9
104	D	44.7	Very low	71.8	Confident	154 Å²	154	68.7 Å²	68.7	82%	0.824	44%	0.439	S	S	*	.	S	Bend	trans	-98.9	146.1	180	-150.4	-15	0	0	0	111	S102 G106	S102-D104 PolarHBondContact O-N 3.23Å; D104-G106 PolarHBondContact O-N 3.36Å
105	G	44.3	Very low	71.8	Confident	79 Å²	79	68.4 Å²	68.4	81%	0.814	44%	0.437	S	S	*	.			trans	-74.2	26.9	-155	0	0	0	0	0	118
106	G	49.5	Very low	71.9	Confident	60 Å²	60	66.4 Å²	66.4	62%	0.619	43%	0.426	S	S	*	.			trans	-84.4	121.5	-177.1	0	0	0	0	0	113.9	D104 S108	D104-G106 PolarHBondContact O-N 3.36Å; G106-S108 PolarHBondContact O-N 3.31Å
107	T	56.1	Low	71.9	Confident	148 Å²	148	74.3 Å²	74.3	91%	0.908	45%	0.454	S	S	*	.			trans	-73.6	39.1	-179.3	36.2	0	0	0	0	115.3
108	S	64.2	Low	71.9	Confident	53 Å²	53	72 Å²	72	37%	0.371	44%	0.444	S	S	.	.			trans	-89.3	125.2	175.5	-164.2	0	0	0	0	110.7	W99 G106	W99-S108 WeakPolarHBondContact CH2-O 3.44Å; G106-S108 PolarHBondContact O-N 3.31Å
109	V	84.9	Confident	72.6	Confident	36 Å²	36	67.7 Å²	67.7	22%	0.218	42%	0.416	C	S	.	.			trans	-83.6	149.8	177.2	-65.5	0	0	0	0	111.1	A111 E112 A113 E186	V109-A111 PolarHBondContact O-N 3.29Å; V109-A111 VanDerWaalsContact O-N 3.15Å; V109-E112 HydrophobicContact CG2-CB 3.98Å; V109-E112 HydrophobicContact CG2-CG 3.72Å; V109-E112 PolarHBondContact O-N 3.08Å; V109-A113 PolarHBondContact O-N 3Å; V109-E186 HydrophobicContact CB-CB 4.17Å; V109-E186 HydrophobicContact CG1-CB 4.46Å; V109-E186 HydrophobicContact CG2-CB 4.08Å
110	Q	87.4	Confident	73.8	Confident	49 Å²	49	66.4 Å²	66.4	23%	0.229	42%	0.417	C	S	.	.	H	α-helix	trans	-55.2	-37.1	-177.5	-167.3	-168.9	-99.6	0	0	112.2	E112 S114 E186 E187 K188 S189	Q110-E112 VanDerWaalsContact C-N 3.32Å; Q110-E112 PolarHBondContact O-N 3.23Å; Q110-S114 VanDerWaalsContact O-CB 3.24Å; Q110-S114 WeakPolarHBondContact O-CB 3.31Å; Q110-S114 PolarHBondContact O-N 3.09Å; Q110-S114 VanDerWaalsContact O-N 3.07Å; Q110-S114 PolarHBondContact O-OG 2.99Å; Q110-E186 PolarHBondContact N-O 3.13Å; Q110-E187 VanDerWaalsContact CB-O 3.23Å; Q110-E187 WeakPolarHBondContact CB-O 3.47Å; Q110-K188 PolarHBondContact NE2-O 3.14Å; Q110-K188 VanDerWaalsContact NE2-O 3.16Å; Q110-S189 CarbonylContact C-O 3.45Å; Q110-S189 PolarHBondContact NE2-O 3.27Å
111	A	89.7	Confident	75.5	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-66.9	-28.4	178.2	0	0	0	0	0	113.8	V109 S114 E186 S189 W191 R193 Y194	V109-A111 PolarHBondContact O-N 3.29Å; V109-A111 VanDerWaalsContact O-N 3.15Å; A111-S114 PolarHBondContact O-OG 3.38Å; A111-E186 HydrophobicContact CB-CB 4.2Å; A111-E186 WeakPolarHBondContact CB-O 3.25Å; A111-E186 PolarHBondContact N-O 3.45Å; A111-S189 WeakPolarHBondContact CA-O 3.41Å; A111-S189 PolarHBondContact N-O 3.17Å; A111-W191 WeakPolarHBondContact O-CA 3.33Å; A111-W191 VanDerWaalsContact O-CB 3.3Å; A111-W191 WeakPolarHBondContact O-CB 3.32Å; A111-W191 PolarHBondContact O-N 3.19Å; A111-R193 HydrophobicContact CB-CG 4.28Å; A111-Y194 HydrophobicContact CB-CE2 3.69Å
112	E	90.4	Very high	77.1	Confident	57 Å²	57	60.8 Å²	60.8	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-82.3	-49.1	172.6	-73.8	-171.8	156.6	0	0	111.3	V109 Q110 S114 L115 F121	V109-E112 HydrophobicContact CG2-CB 3.98Å; V109-E112 HydrophobicContact CG2-CG 3.72Å; V109-E112 PolarHBondContact O-N 3.08Å; Q110-E112 VanDerWaalsContact C-N 3.32Å; Q110-E112 PolarHBondContact O-N 3.23Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 2.67Å; E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.34Å; E112-F121 HydrophobicContact CB-CE2 3.96Å; E112-F121 HydrophobicContact CB-CZ 4.48Å; E112-F121 HydrophobicContact CG-CE2 4.04Å; E112-F121 HydrophobicContact CG-CZ 4.5Å
113	A	89.6	Confident	79.2	Confident	25 Å²	25	62.3 Å²	62.3	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-68	-23.2	-172.1	0	0	0	0	0	114.2	W99 V109 L115	W99-A113 HydrophobicContact CD2-CB 4.1Å; W99-A113 HydrophobicContact CE3-CB 3.24Å; W99-A113 HydrophobicContact CH2-CB 4.44Å; W99-A113 HydrophobicContact CZ3-CB 3.44Å; W99-A113 VanDerWaalsContact CZ3-CB 3.44Å; V109-A113 PolarHBondContact O-N 3Å; A113-L115 VanDerWaalsContact C-N 3.25Å; A113-L115 PolarHBondContact O-N 3.18Å
114	S	91.9	Very high	81.1	Confident	7 Å²	7	57.9 Å²	57.9	5%	0.049	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-7.1	176.8	52.8	0	0	0	0	114.4	D96 H97 Q110 A111 E112 P116 N190 W191	D96-S114 WeakPolarHBondContact CA-O 3.47Å; D96-S114 WeakPolarHBondContact CB-O 3.39Å; H97-S114 PolarHBondContact N-O 3.31Å; Q110-S114 VanDerWaalsContact O-CB 3.24Å; Q110-S114 WeakPolarHBondContact O-CB 3.31Å; Q110-S114 PolarHBondContact O-N 3.09Å; Q110-S114 VanDerWaalsContact O-N 3.07Å; Q110-S114 PolarHBondContact O-OG 2.99Å; A111-S114 PolarHBondContact O-OG 3.38Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 2.67Å; S114-P116 VanDerWaalsContact O-CD 3.31Å; S114-P116 WeakPolarHBondContact O-CD 3.38Å; S114-N190 WeakPolarHBondContact OG-CA 3.36Å; S114-N190 WeakPolarHBondContact OG-CB 3.43Å; S114-W191 PolarHBondContact OG-N 2.85Å
115	L	92.3	Very high	82.7	Confident	24 Å²	24	55.4 Å²	55.4	13%	0.126	33%	0.331	C	S	.	.			trans	-61.2	122.4	-174.5	-173.2	72.5	0	0	0	113	E112 A113 L119 F121 V134 W191	E112-L115 WeakPolarHBondContact O-CB 3.34Å; E112-L115 PolarHBondContact O-N 3.34Å; A113-L115 VanDerWaalsContact C-N 3.25Å; A113-L115 PolarHBondContact O-N 3.18Å; L115-L119 HydrophobicContact CD1-CB 3.78Å; L115-L119 HydrophobicContact CD1-CD1 4.04Å; L115-L119 HydrophobicContact CD2-CB 4.3Å; L115-L119 HydrophobicContact CG-CB 4.04Å; L115-F121 HydrophobicContact CB-CE2 3.97Å; L115-F121 HydrophobicContact CB-CZ 3.77Å; L115-F121 HydrophobicContact CD1-CD1 4.42Å; L115-F121 HydrophobicContact CD1-CE1 3.82Å; L115-F121 HydrophobicContact CD1-CZ 3.9Å; L115-F121 HydrophobicContact CD2-CD1 4.24Å; L115-F121 HydrophobicContact CD2-CD2 3.85Å; L115-F121 HydrophobicContact CD2-CE1 4.14Å; L115-F121 HydrophobicContact CD2-CE2 3.72Å; L115-F121 HydrophobicContact CD2-CG 4.1Å; L115-F121 HydrophobicContact CD2-CZ 3.88Å; L115-F121 HydrophobicContact CG-CE1 4.39Å; L115-F121 HydrophobicContact CG-CE2 4.29Å; L115-F121 HydrophobicContact CG-CZ 4.05Å; L115-V134 HydrophobicContact CD1-CG1 4.04Å; L115-W191 HydrophobicContact CB-CB 4.16Å; L115-W191 HydrophobicContact CB-CG 4.5Å; L115-W191 HydrophobicContact CD1-CB 3.83Å; L115-W191 HydrophobicContact CD1-CD2 3.87Å; L115-W191 HydrophobicContact CD1-CE3 3.74Å; L115-W191 HydrophobicContact CD1-CG 3.92Å
116	P	92.8	Very high	83.9	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.019	33%	0.33	C	S	.	.			trans	-55.3	140.2	173.7	-29.2	35.3	0	0	0	114.1	V94 S114 N118 L119 F146 W191	V94-P116 HydrophobicContact CG1-CB 3.57Å; V94-P116 HydrophobicContact CG1-CG 3.87Å; S114-P116 VanDerWaalsContact O-CD 3.31Å; S114-P116 WeakPolarHBondContact O-CD 3.38Å; P116-N118 WeakPolarHBondContact CB-OD1 3.32Å; P116-N118 PolarHBondContact O-N 3.23Å; P116-L119 HydrophobicContact CB-CD1 4.31Å; P116-L119 HydrophobicContact CB-CG 4.43Å; P116-L119 HydrophobicContact CG-CD1 4.26Å; P116-L119 WeakPolarHBondContact O-CB 3.46Å; P116-L119 PolarHBondContact O-N 3.16Å; P116-F146 HydrophobicContact CG-CD1 4.46Å; P116-W191 VanDerWaalsContact CD-CE2 3.44Å; P116-W191 HydrophobicContact CG-CZ2 3.95Å
117	R	89.9	Confident	84.2	Confident	184 Å²	184	63.7 Å²	63.7	69%	0.694	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-16.3	-173.7	-68.3	-173.5	173.3	-172.3	-0.6	115.7	H97 L119 K137	H97-R117 VanDerWaalsContact CE1-CZ 3.43Å; H97-R117 PolarHBondContact CE1-NE 2.66Å; H97-R117 PolarHBondContact CE1-NH2 2.95Å; H97-R117 PolarHBondContact NE2-NE 3.31Å; H97-R117 VanDerWaalsContact NE2-NE 3.11Å; H97-R117 PolarHBondContact NE2-NH2 3.31Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-K137 VanDerWaalsContact O-CD 3.22Å; R117-K137 WeakPolarHBondContact O-CD 3.27Å
118	N	86.6	Confident	84.7	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.091	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	3.5	176.5	64.3	-58.5	0	0	0	113.4	V94 P116 K137 E138	V94-N118 WeakPolarHBondContact CG1-OD1 3.49Å; P116-N118 WeakPolarHBondContact CB-OD1 3.32Å; P116-N118 PolarHBondContact O-N 3.23Å; N118-K137 VanDerWaalsContact C-CB 3.46Å; N118-K137 VanDerWaalsContact O-CB 3.25Å; N118-K137 WeakPolarHBondContact O-CB 3.3Å; N118-K137 PolarHBondContact O-N 2.93Å; N118-E138 HydrophobicContact CB-CG 3.78Å; N118-E138 WeakPolarHBondContact CB-OE1 3.3Å
119	L	94.3	Very high	85.4	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165.9	177.3	-56.4	179.9	0	0	0	110.9	L115 P116 R117 V134 V135 I140 F146 W191 L229	L115-L119 HydrophobicContact CD1-CB 3.78Å; L115-L119 HydrophobicContact CD1-CD1 4.04Å; L115-L119 HydrophobicContact CD2-CB 4.3Å; L115-L119 HydrophobicContact CG-CB 4.04Å; P116-L119 HydrophobicContact CB-CD1 4.31Å; P116-L119 HydrophobicContact CB-CG 4.43Å; P116-L119 HydrophobicContact CG-CD1 4.26Å; P116-L119 WeakPolarHBondContact O-CB 3.46Å; P116-L119 PolarHBondContact O-N 3.16Å; R117-L119 VanDerWaalsContact C-N 3.34Å; L119-V134 HydrophobicContact CB-CG1 4.09Å; L119-V134 HydrophobicContact CD1-CG1 4.03Å; L119-V134 HydrophobicContact CG-CG1 4.47Å; L119-V135 CarbonylContact C-O 3.5Å; L119-V135 WeakPolarHBondContact CA-O 3.34Å; L119-I140 HydrophobicContact CD2-CD1 3.58Å; L119-F146 HydrophobicContact CD1-CD1 4.38Å; L119-F146 HydrophobicContact CD1-CE1 3.9Å; L119-F146 HydrophobicContact CD2-CE1 4.45Å; L119-F146 HydrophobicContact CD2-CZ 4.41Å; L119-F146 HydrophobicContact CG-CE1 4.35Å; L119-W191 HydrophobicContact CD1-CD2 4.49Å; L119-W191 HydrophobicContact CD1-CE3 3.92Å; L119-W191 HydrophobicContact CD1-CH2 3.51Å; L119-W191 HydrophobicContact CD1-CZ2 4.11Å; L119-W191 HydrophobicContact CD1-CZ3 3.4Å; L119-W191 VanDerWaalsContact CD1-CZ3 3.4Å; L119-L229 HydrophobicContact CD1-CD2 3.91Å; L119-L229 HydrophobicContact CD2-CD1 3.98Å; L119-L229 HydrophobicContact CD2-CD2 3.67Å; L119-L229 HydrophobicContact CG-CD2 4.47Å
120	L	93.5	Very high	85.4	Confident	71 Å²	71	69.5 Å²	69.5	37%	0.372	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.7	170.3	-64.5	172.6	0	0	0	109.2	V135 K137	L120-V135 HydrophobicContact CB-CG2 3.9Å; L120-V135 PolarHBondContact N-O 3.3Å; L120-V135 PolarHBondContact O-N 2.94Å; L120-K137 HydrophobicContact CD1-CB 4.36Å; L120-K137 HydrophobicContact CD1-CG 4.05Å; L120-K137 HydrophobicContact CD2-CD 4.14Å; L120-K137 HydrophobicContact CD2-CG 4.32Å; L120-K137 HydrophobicContact CG-CB 4.01Å; L120-K137 HydrophobicContact CG-CD 4.29Å; L120-K137 HydrophobicContact CG-CG 3.97Å
121	F	94	Very high	85.5	Confident	23 Å²	23	68.1 Å²	68.1	10%	0.101	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	144.3	167.8	-69	-54.6	0	0	0	111.7	E112 L115 Y123 V131 V134 W191 Y194	E112-F121 HydrophobicContact CB-CE2 3.96Å; E112-F121 HydrophobicContact CB-CZ 4.48Å; E112-F121 HydrophobicContact CG-CE2 4.04Å; E112-F121 HydrophobicContact CG-CZ 4.5Å; L115-F121 HydrophobicContact CB-CE2 3.97Å; L115-F121 HydrophobicContact CB-CZ 3.77Å; L115-F121 HydrophobicContact CD1-CD1 4.42Å; L115-F121 HydrophobicContact CD1-CE1 3.82Å; L115-F121 HydrophobicContact CD1-CZ 3.9Å; L115-F121 HydrophobicContact CD2-CD1 4.24Å; L115-F121 HydrophobicContact CD2-CD2 3.85Å; L115-F121 HydrophobicContact CD2-CE1 4.14Å; L115-F121 HydrophobicContact CD2-CE2 3.72Å; L115-F121 HydrophobicContact CD2-CG 4.1Å; L115-F121 HydrophobicContact CD2-CZ 3.88Å; L115-F121 HydrophobicContact CG-CE1 4.39Å; L115-F121 HydrophobicContact CG-CE2 4.29Å; L115-F121 HydrophobicContact CG-CZ 4.05Å; F121-Y123 HydrophobicContact CB-CE1 4.29Å; F121-Y123 HydrophobicContact CB-CE2 3.87Å; F121-V131 HydrophobicContact CB-CG1 3.95Å; F121-V131 HydrophobicContact CB-CG2 3.98Å; F121-V131 HydrophobicContact CD1-CB 4.43Å; F121-V131 HydrophobicContact CD1-CG1 3.35Å; F121-V131 HydrophobicContact CD1-CG2 4.18Å; F121-V131 HydrophobicContact CD2-CG2 4.17Å; F121-V131 HydrophobicContact CE1-CG1 4.03Å; F121-V131 HydrophobicContact CG-CG1 3.79Å; F121-V131 HydrophobicContact CG-CG2 3.85Å; F121-V134 HydrophobicContact CD1-CG2 4.09Å; F121-V134 HydrophobicContact CE1-CG2 4.14Å; F121-W191 HydrophobicContact CE1-CB 4.28Å; F121-W191 HydrophobicContact CZ-CB 4.1Å; F121-Y194 HydrophobicContact CD1-CD2 4.46Å; F121-Y194 AromaticContact CE1-CD2 3.65Å; F121-Y194 HydrophobicContact CE1-CD2 3.65Å; F121-Y194 HydrophobicContact CE1-CE2 4.19Å; F121-Y194 HydrophobicContact CE1-CG 4.22Å; F121-Y194 HydrophobicContact CZ-CD2 4.15Å; F121-Y194 HydrophobicContact CZ-CE2 4.28Å
122	K	91.4	Very high	85.5	Confident	78 Å²	78	70.3 Å²	70.3	34%	0.339	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.9	169	-171.4	-174.9	179.7	-175.2	0	107.4	I132 G133 V135 E228	K122-I132 HydrophobicContact CB-CG1 4.25Å; K122-I132 HydrophobicContact CD-CD1 4.22Å; K122-I132 HydrophobicContact CD-CG1 4.2Å; K122-I132 HydrophobicContact CG-CD1 4.13Å; K122-I132 HydrophobicContact CG-CG1 3.92Å; K122-I132 VanDerWaalsContact O-CG1 3.23Å; K122-I132 WeakPolarHBondContact O-CG1 3.26Å; K122-I132 PolarHBondContact O-N 3.47Å; K122-G133 PolarHBondContact N-O 2.95Å; K122-G133 PolarHBondContact O-N 3.26Å; K122-V135 HydrophobicContact CB-CG1 4.21Å; K122-V135 HydrophobicContact CD-CG1 4.47Å; K122-E228 IonicContact NZ-OE1 3.68Å; K122-E228 IonicContact NZ-OE2 2.61Å; K122-E228 PolarHBondContact NZ-OE2 2.77Å
123	Y	89.7	Confident	85.6	Confident	119 Å²	119	67.6 Å²	67.6	47%	0.467	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	157.5	179.1	-61.4	-81.8	0	0	0	111.5	F121 E130 V131	F121-Y123 HydrophobicContact CB-CE1 4.29Å; F121-Y123 HydrophobicContact CB-CE2 3.87Å; Y123-E130 WeakPolarHBondContact CA-O 3.37Å; Y123-V131 HydrophobicContact CD1-CG2 4.21Å; Y123-V131 HydrophobicContact CE1-CG2 3.69Å
124	A	86.5	Confident	85.8	Confident	25 Å²	25	66.4 Å²	66.4	21%	0.207	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-68.8	149.4	173.6	0	0	0	0	0	111.9	N126 E130 I132	A124-N126 PolarHBondContact O-N 3.5Å; A124-N126 VanDerWaalsContact O-N 3.09Å; A124-E130 PolarHBondContact N-O 3.48Å; A124-I132 HydrophobicContact CB-CG2 3.98Å
125	A	76.8	Confident	86	Confident	102 Å²	102	67.1 Å²	67.1	84%	0.843	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.6	-172.2	0	0	0	0	0	114.9	N127	A125-N127 VanDerWaalsContact C-N 3.27Å; A125-N127 PolarHBondContact O-N 3.14Å
126	N	69.7	Low	86.1	Confident	148 Å²	148	66 Å²	66	79%	0.791	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	30.4	-168.7	-62.6	8.5	0	0	0	113.2	A124 S128	A124-N126 PolarHBondContact O-N 3.5Å; A124-N126 VanDerWaalsContact O-N 3.09Å; N126-S128 PolarHBondContact O-N 3.16Å; N126-S128 VanDerWaalsContact O-N 3.11Å
127	N	56.6	Low	86.1	Confident	164 Å²	164	71.2 Å²	71.2	88%	0.877	36%	0.358	S	S	*	.	S	Bend	trans	57.8	20.4	-179.4	-153.6	32.6	0	0	0	114.9	A125	A125-N127 VanDerWaalsContact C-N 3.27Å; A125-N127 PolarHBondContact O-N 3.14Å
128	S	66.7	Low	86.2	Confident	46 Å²	46	67.9 Å²	67.9	32%	0.322	35%	0.35	S	S	.	.			trans	-82.4	147.8	171.2	61.5	0	0	0	0	110.5	N126 E130	N126-S128 PolarHBondContact O-N 3.16Å; N126-S128 VanDerWaalsContact O-N 3.11Å; S128-E130 PolarHBondContact O-N 3.3Å
129	K	77.9	Confident	86.5	Confident	191 Å²	191	73.8 Å²	73.8	83%	0.83	37%	0.372	S	S	*	.			trans	-75.4	20.3	172.3	-62.2	-175.2	177.7	-177.2	0	112.9	V131	K129-V131 PolarHBondContact O-N 2.71Å
130	E	86.1	Confident	86.5	Confident	123 Å²	123	73.8 Å²	73.8	58%	0.575	37%	0.372	S	S	*	.			trans	-81	116.8	-175.4	-172.4	-177	177.2	0	0	110.5	Y123 A124 S128 I132	Y123-E130 WeakPolarHBondContact CA-O 3.37Å; A124-E130 PolarHBondContact N-O 3.48Å; S128-E130 PolarHBondContact O-N 3.3Å; E130-I132 HydrophobicContact CG-CG2 4.32Å; E130-I132 PolarHBondContact O-N 2.74Å
131	V	89.2	Confident	86.5	Confident	19 Å²	19	71.9 Å²	71.9	12%	0.115	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	110.9	175.6	178.1	0	0	0	0	109.9	F121 Y123 K129 Y194	F121-V131 HydrophobicContact CB-CG1 3.95Å; F121-V131 HydrophobicContact CB-CG2 3.98Å; F121-V131 HydrophobicContact CD1-CB 4.43Å; F121-V131 HydrophobicContact CD1-CG1 3.35Å; F121-V131 HydrophobicContact CD1-CG2 4.18Å; F121-V131 HydrophobicContact CD2-CG2 4.17Å; F121-V131 HydrophobicContact CE1-CG1 4.03Å; F121-V131 HydrophobicContact CG-CG1 3.79Å; F121-V131 HydrophobicContact CG-CG2 3.85Å; Y123-V131 HydrophobicContact CD1-CG2 4.21Å; Y123-V131 HydrophobicContact CE1-CG2 3.69Å; K129-V131 PolarHBondContact O-N 2.71Å; V131-Y194 HydrophobicContact CB-CD1 3.65Å; V131-Y194 HydrophobicContact CB-CE1 3.64Å; V131-Y194 HydrophobicContact CB-CG 4.29Å; V131-Y194 HydrophobicContact CG1-CD1 3.35Å; V131-Y194 HydrophobicContact CG1-CD2 4.18Å; V131-Y194 HydrophobicContact CG1-CE1 3.85Å; V131-Y194 HydrophobicContact CG1-CG 3.54Å; V131-Y194 HydrophobicContact CG2-CE1 4.36Å
132	I	90	Very high	86.4	Confident	47 Å²	47	72.1 Å²	72.1	24%	0.241	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	-0.3	-178.6	62.8	162.4	0	0	0	114	K122 A124 E130 N196	K122-I132 HydrophobicContact CB-CG1 4.25Å; K122-I132 HydrophobicContact CD-CD1 4.22Å; K122-I132 HydrophobicContact CD-CG1 4.2Å; K122-I132 HydrophobicContact CG-CD1 4.13Å; K122-I132 HydrophobicContact CG-CG1 3.92Å; K122-I132 VanDerWaalsContact O-CG1 3.23Å; K122-I132 WeakPolarHBondContact O-CG1 3.26Å; K122-I132 PolarHBondContact O-N 3.47Å; A124-I132 HydrophobicContact CB-CG2 3.98Å; E130-I132 HydrophobicContact CG-CG2 4.32Å; E130-I132 PolarHBondContact O-N 2.74Å; I132-N196 PolarHBondContact O-ND2 3.22Å
133	G	91.2	Very high	86.5	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-179.5	-179.2	0	0	0	0	0	112.9	K122 Y194	K122-G133 PolarHBondContact N-O 2.95Å; K122-G133 PolarHBondContact O-N 3.26Å; G133-Y194 WeakPolarHBondContact CA-O 3.46Å
134	V	95	Very high	86.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.1	176.2	-175.2	0	0	0	0	109.2	L115 L119 F121 W191 V195 E228 L229	L115-V134 HydrophobicContact CD1-CG1 4.04Å; L119-V134 HydrophobicContact CB-CG1 4.09Å; L119-V134 HydrophobicContact CD1-CG1 4.03Å; L119-V134 HydrophobicContact CG-CG1 4.47Å; F121-V134 HydrophobicContact CD1-CG2 4.09Å; F121-V134 HydrophobicContact CE1-CG2 4.14Å; V134-W191 HydrophobicContact CG1-CE3 4.26Å; V134-W191 HydrophobicContact CG1-CZ3 4.22Å; V134-W191 HydrophobicContact CG2-CE3 4.28Å; V134-V195 HydrophobicContact CB-CG2 4.45Å; V134-V195 HydrophobicContact CG2-CG2 4.13Å; V134-E228 WeakPolarHBondContact O-CA 3.48Å; V134-L229 HydrophobicContact CB-CB 4.48Å; V134-L229 HydrophobicContact CG1-CD2 4.11Å; V134-L229 PolarHBondContact O-N 3.13Å
135	V	95.1	Very high	87.2	Confident	22 Å²	22	63.1 Å²	63.1	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.4	176.4	-60.8	0	0	0	0	111.4	L119 L120 K122 Q227 E228	L119-V135 CarbonylContact C-O 3.5Å; L119-V135 WeakPolarHBondContact CA-O 3.34Å; L120-V135 HydrophobicContact CB-CG2 3.9Å; L120-V135 PolarHBondContact N-O 3.3Å; L120-V135 PolarHBondContact O-N 2.94Å; K122-V135 HydrophobicContact CB-CG1 4.21Å; K122-V135 HydrophobicContact CD-CG1 4.47Å; V135-Q227 CarbonylContact C-O 3.51Å; V135-Q227 VanDerWaalsContact CA-O 3.24Å; V135-Q227 WeakPolarHBondContact CA-O 3.22Å; V135-E228 HydrophobicContact CG1-CB 4.18Å
136	S	95.4	Very high	88.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.2	171.6	56.6	0	0	0	0	111.4	E138 P224 A225 N226 Q227	S136-E138 WeakPolarHBondContact CB-O 3.47Å; S136-P224 PolarHBondContact OG-O 3.45Å; S136-A225 WeakPolarHBondContact OG-CA 3.37Å; S136-N226 WeakPolarHBondContact O-CA 3.47Å; S136-N226 PolarHBondContact O-N 3.18Å; S136-N226 PolarHBondContact OG-N 3.15Å; S136-Q227 PolarHBondContact N-O 3.16Å; S136-Q227 PolarHBondContact OG-N 3.35Å; S136-Q227 PolarHBondContact OG-O 2.17Å
137	K	92.5	Very high	89.1	Confident	113 Å²	113	51.2 Å²	51.2	49%	0.491	25%	0.245	S	C	.	.	S	Bend	trans	-86.4	-30.7	170.7	-166	179.7	-177.6	176.6	0	112.2	R117 N118 L120	R117-K137 VanDerWaalsContact O-CD 3.22Å; R117-K137 WeakPolarHBondContact O-CD 3.27Å; N118-K137 VanDerWaalsContact C-CB 3.46Å; N118-K137 VanDerWaalsContact O-CB 3.25Å; N118-K137 WeakPolarHBondContact O-CB 3.3Å; N118-K137 PolarHBondContact O-N 2.93Å; L120-K137 HydrophobicContact CD1-CB 4.36Å; L120-K137 HydrophobicContact CD1-CG 4.05Å; L120-K137 HydrophobicContact CD2-CD 4.14Å; L120-K137 HydrophobicContact CD2-CG 4.32Å; L120-K137 HydrophobicContact CG-CB 4.01Å; L120-K137 HydrophobicContact CG-CD 4.29Å; L120-K137 HydrophobicContact CG-CG 3.97Å
138	E	91.6	Very high	90.9	Very high	113 Å²	113	44.1 Å²	44.1	53%	0.528	21%	0.208	S	C	.	.	S	Bend	trans	-141.8	175	-176	58.7	-179.3	-164.5	0	0	109.6	N118 S136 I140	N118-E138 HydrophobicContact CB-CG 3.78Å; N118-E138 WeakPolarHBondContact CB-OE1 3.3Å; S136-E138 WeakPolarHBondContact CB-O 3.47Å; E138-I140 PolarHBondContact O-N 3.49Å
139	Y	93.8	Very high	92.2	Very high	142 Å²	142	42.3 Å²	42.3	56%	0.557	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-65.9	119.2	175.9	173.6	-87.9	0	0	0	110.8	P141 P222 I223	Y139-P141 HydrophobicContact CD1-CG 4.38Å; Y139-P141 HydrophobicContact CE1-CB 4.33Å; Y139-P141 HydrophobicContact CE1-CG 4.13Å; Y139-P222 HydrophobicContact CE2-CB 3.77Å; Y139-P222 WeakPolarHBondContact OH-CB 3.29Å; Y139-I223 WeakPolarHBondContact CA-O 3.29Å
140	I	93.8	Very high	92.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-97.5	118.4	175.6	-46.9	169.6	0	0	0	108.2	L119 E138 T144 F146 T219 I223 L229	L119-I140 HydrophobicContact CD2-CD1 3.58Å; E138-I140 PolarHBondContact O-N 3.49Å; I140-T144 HydrophobicContact CG2-CG2 3.96Å; I140-F146 HydrophobicContact CD1-CZ 4.17Å; I140-F146 HydrophobicContact CG2-CE2 4.09Å; I140-F146 HydrophobicContact CG2-CZ 3.94Å; I140-T219 HydrophobicContact CG2-CG2 4.01Å; I140-I223 HydrophobicContact CB-CB 4.09Å; I140-I223 HydrophobicContact CD1-CB 4.21Å; I140-I223 HydrophobicContact CD1-CD1 4.19Å; I140-I223 HydrophobicContact CD1-CG2 4.45Å; I140-I223 HydrophobicContact CG1-CB 4.4Å; I140-I223 PolarHBondContact N-O 3.32Å; I140-I223 PolarHBondContact O-N 3.21Å; I140-L229 HydrophobicContact CD1-CD1 4.17Å
141	P	93.2	Very high	93.2	Very high	31 Å²	31	31 Å²	31	20%	0.201	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-63.5	157.4	177.6	-22	33.3	0	0	0	113.2	Y92 Y139 T144 T219	Y92-P141 HydrophobicContact CD2-CB 3.66Å; Y92-P141 HydrophobicContact CD2-CG 4.04Å; Y92-P141 HydrophobicContact CE2-CB 3.35Å; Y92-P141 HydrophobicContact CE2-CG 3.78Å; Y139-P141 HydrophobicContact CD1-CG 4.38Å; Y139-P141 HydrophobicContact CE1-CB 4.33Å; Y139-P141 HydrophobicContact CE1-CG 4.13Å; P141-T144 WeakPolarHBondContact O-CB 3.45Å; P141-T144 PolarHBondContact O-OG1 2.95Å; P141-T219 PolarHBondContact O-OG1 2.81Å
142	K	92.5	Very high	93.3	Very high	29 Å²	29	32.1 Å²	32.1	13%	0.126	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	142.9	165.1	-173.5	179.7	-179.8	-163.1	0	110.7	M73 E74 A76 M78 T91 T219 I220 P222	M73-K142 WeakPolarHBondContact O-CD 3.36Å; M73-K142 WeakPolarHBondContact O-CE 3.42Å; M73-K142 PolarHBondContact O-NZ 3.31Å; E74-K142 PolarHBondContact O-NZ 2.94Å; A76-K142 VanDerWaalsContact O-CE 3.29Å; A76-K142 WeakPolarHBondContact O-CE 3.46Å; A76-K142 PolarHBondContact O-NZ 3.28Å; M78-K142 HydrophobicContact SD-CD 4.23Å; M78-K142 HydrophobicContact SD-CG 3.67Å; T91-K142 PolarHBondContact OG1-O 3.14Å; K142-T219 WeakPolarHBondContact CA-OG1 3.31Å; K142-I220 VanDerWaalsContact CE-O 3.26Å; K142-I220 WeakPolarHBondContact CE-O 3.34Å; K142-P222 HydrophobicContact CB-CG 4.13Å
143	G	92.3	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	16.9	-176.2	0	0	0	0	0	115.4	T91 Y92 T219	T91-G143 PolarHBondContact N-O 3.32Å; T91-G143 WeakPolarHBondContact OG1-CA 3.45Å; T91-G143 PolarHBondContact OG1-O 3.38Å; Y92-G143 PolarHBondContact N-O 3.46Å; G143-T219 PolarHBondContact N-O 2.79Å; G143-T219 PolarHBondContact N-OG1 2.9Å; G143-T219 VanDerWaalsContact N-OG1 3.12Å
144	T	95	Very high	93.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.3	176.1	-57	0	0	0	0	110.7	Y92 V94 I140 P141 F146 Y218 T219	Y92-T144 WeakPolarHBondContact O-CA 3.32Å; V94-T144 HydrophobicContact CB-CG2 4.33Å; V94-T144 HydrophobicContact CG2-CG2 3.64Å; I140-T144 HydrophobicContact CG2-CG2 3.96Å; P141-T144 WeakPolarHBondContact O-CB 3.45Å; P141-T144 PolarHBondContact O-OG1 2.95Å; T144-F146 HydrophobicContact CG2-CD2 4.35Å; T144-F146 HydrophobicContact CG2-CE2 3.81Å; T144-F146 HydrophobicContact CG2-CZ 4.02Å; T144-Y218 CarbonylContact O-C 3.5Å; T144-Y218 WeakPolarHBondContact O-CA 3.47Å; T144-T219 WeakPolarHBondContact CB-OG1 3.45Å; T144-T219 PolarHBondContact N-OG1 2.91Å; T144-T219 PolarHBondContact O-N 2.95Å
145	R	96.1	Very high	93.2	Very high	31 Å²	31	38.3 Å²	38.3	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.6	174.1	-169.2	-172.4	78.5	167.1	7.6	111.4	Y92 V94 Y216 F217 Y218	Y92-R145 PolarHBondContact O-N 3.48Å; V94-R145 PolarHBondContact N-O 3.25Å; R145-Y216 HydrophobicContact CG-CD1 4Å; R145-Y216 HydrophobicContact CG-CG 4.08Å; R145-F217 CarbonylContact C-O 3.54Å; R145-F217 WeakPolarHBondContact CA-O 3.09Å; R145-Y218 HydrophobicContact CB-CD1 3.8Å; R145-Y218 HydrophobicContact CB-CE1 3.66Å; R145-Y218 VanDerWaalsContact CD-CZ 3.44Å; R145-Y218 VanDerWaalsContact CD-OH 3.25Å; R145-Y218 WeakPolarHBondContact CD-OH 3.49Å; R145-Y218 HydrophobicContact CG-CD1 3.89Å; R145-Y218 HydrophobicContact CG-CD2 4.4Å; R145-Y218 HydrophobicContact CG-CE1 3.48Å; R145-Y218 VanDerWaalsContact CG-CE1 3.48Å; R145-Y218 HydrophobicContact CG-CE2 4.02Å; R145-Y218 HydrophobicContact CG-CG 4.34Å
146	F	95.9	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149.2	170.9	-68.5	-84.9	0	0	0	111.1	V94 P116 L119 I140 T144 W191 L206 Y216 F217 T219	V94-F146 HydrophobicContact CB-CD1 3.83Å; V94-F146 HydrophobicContact CB-CE1 3.74Å; V94-F146 HydrophobicContact CB-CZ 4.45Å; V94-F146 HydrophobicContact CG1-CD1 3.84Å; V94-F146 HydrophobicContact CG1-CE1 3.63Å; V94-F146 HydrophobicContact CG2-CE1 4.19Å; P116-F146 HydrophobicContact CG-CD1 4.46Å; L119-F146 HydrophobicContact CD1-CD1 4.38Å; L119-F146 HydrophobicContact CD1-CE1 3.9Å; L119-F146 HydrophobicContact CD2-CE1 4.45Å; L119-F146 HydrophobicContact CD2-CZ 4.41Å; L119-F146 HydrophobicContact CG-CE1 4.35Å; I140-F146 HydrophobicContact CD1-CZ 4.17Å; I140-F146 HydrophobicContact CG2-CE2 4.09Å; I140-F146 HydrophobicContact CG2-CZ 3.94Å; T144-F146 HydrophobicContact CG2-CD2 4.35Å; T144-F146 HydrophobicContact CG2-CE2 3.81Å; T144-F146 HydrophobicContact CG2-CZ 4.02Å; F146-W191 HydrophobicContact CB-CH2 3.98Å; F146-W191 HydrophobicContact CB-CZ2 3.88Å; F146-W191 AromaticContact CD1-CH2 3.65Å; F146-W191 HydrophobicContact CD1-CH2 3.65Å; F146-W191 AromaticContact CD1-CZ2 3.65Å; F146-W191 HydrophobicContact CD1-CZ2 3.65Å; F146-W191 HydrophobicContact CE1-CH2 4.32Å; F146-W191 AromaticContact CG-CH2 3.91Å; F146-W191 HydrophobicContact CG-CH2 3.91Å; F146-W191 HydrophobicContact CG-CZ2 4.08Å; F146-L206 HydrophobicContact CD2-CD2 4.09Å; F146-L206 HydrophobicContact CE2-CD2 4.32Å; F146-Y216 WeakPolarHBondContact O-CA 3.14Å; F146-Y216 WeakPolarHBondContact O-CB 3.28Å; F146-Y216 WeakPolarHBondContact O-CD1 3.33Å; F146-F217 HydrophobicContact CB-CB 4.41Å; F146-F217 PolarHBondContact N-O 3.12Å; F146-F217 PolarHBondContact O-N 2.89Å; F146-T219 HydrophobicContact CE2-CG2 4.01Å
147	G	91	Very high	92.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.			trans	110.7	-168.7	175.1	0	0	0	0	0	114.9	M192	G147-M192 WeakPolarHBondContact CA-SD 3.37Å
148	P	94.6	Very high	92	Very high	16 Å²	16	47.9 Å²	47.9	10%	0.104	25%	0.248	C	C	.	.			cis	-73.8	160.8	21.4	31.7	-37.4	0	0	0	114.3	N190 N214 I215 Y216 Y591	P148-N190 PolarHBondContact O-ND2 2.95Å; P148-N214 HydrophobicContact CB-CB 3.91Å; P148-I215 CarbonylContact C-O 3.54Å; P148-I215 WeakPolarHBondContact CA-O 3.43Å; P148-Y216 HydrophobicContact CB-CD1 4.38Å; P148-Y216 HydrophobicContact CB-CE1 3.77Å; P148-Y216 HydrophobicContact CG-CE1 4.37Å; P148-Y216 VanDerWaalsContact N-CE1 3.33Å; P148-Y591 WeakPolarHBondContact CD-OH 3.41Å
149	L	94.1	Very high	91.7	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	23%	0.229	C	C	.	.			trans	-60.7	135	164.6	179.2	68.3	0	0	0	110.1	W169 I181 M192 I215	L149-W169 HydrophobicContact CD2-CB 3.82Å; L149-W169 HydrophobicContact CD2-CD2 4.06Å; L149-W169 HydrophobicContact CD2-CG 3.47Å; L149-W169 VanDerWaalsContact CD2-CG 3.47Å; L149-I181 HydrophobicContact CD2-CB 4.23Å; L149-I181 HydrophobicContact CD2-CD1 4.49Å; L149-I181 HydrophobicContact CD2-CG2 4.01Å; L149-I181 HydrophobicContact CG-CG2 4.14Å; L149-M192 HydrophobicContact CB-CE 3.96Å; L149-M192 HydrophobicContact CB-SD 4.28Å; L149-M192 HydrophobicContact CD1-CB 3.77Å; L149-M192 HydrophobicContact CD1-CE 4.45Å; L149-I215 HydrophobicContact CB-CB 4.11Å; L149-I215 HydrophobicContact CB-CG2 4.37Å; L149-I215 HydrophobicContact CD2-CB 4.34Å; L149-I215 HydrophobicContact CD2-CD1 4.4Å; L149-I215 HydrophobicContact CD2-CG2 4.45Å; L149-I215 PolarHBondContact N-O 2.81Å
150	I	93.3	Very high	91.3	Very high	63 Å²	63	39.5 Å²	39.5	32%	0.323	22%	0.22	S	C	.	.			trans	-122.9	137.5	176.2	-53.8	178.5	0	0	0	108.3	S189 N190	I150-S189 WeakPolarHBondContact O-CA 3.25Å; I150-S189 WeakPolarHBondContact O-CB 3.29Å; I150-N190 HydrophobicContact CB-CB 3.96Å; I150-N190 HydrophobicContact CD1-CB 4.28Å; I150-N190 HydrophobicContact CG1-CB 4.25Å; I150-N190 PolarHBondContact N-OD1 2.89Å; I150-N190 PolarHBondContact O-N 3.38Å; I150-N190 VanDerWaalsContact O-N 3.12Å; I150-N190 PolarHBondContact O-OD1 3.35Å
151	G	91.6	Very high	90.4	Very high	14 Å²	14	49.1 Å²	49.1	14%	0.144	26%	0.262	C	S	.	.			trans	-176.2	-177	180	0	0	0	0	0	111.1	D182	G151-D182 CarbonylContact C-O 3.55Å; G151-D182 VanDerWaalsContact CA-O 3.3Å; G151-D182 WeakPolarHBondContact CA-O 3.2Å
152	E	91	Very high	89.7	Confident	41 Å²	41	55.3 Å²	55.3	19%	0.192	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.6	177.1	-57.1	-154.7	70.5	0	0	110.8	Y154 D182 N185 K188	E152-Y154 HydrophobicContact CB-CD2 4.47Å; E152-Y154 HydrophobicContact CB-CE2 3.68Å; E152-D182 PolarHBondContact N-O 3.17Å; E152-D182 PolarHBondContact O-N 3.11Å; E152-N185 HydrophobicContact CG-CB 4.28Å; E152-N185 VanDerWaalsContact OE2-CB 3.31Å; E152-N185 WeakPolarHBondContact OE2-CB 3.45Å; E152-N185 PolarHBondContact OE2-ND2 3.37Å; E152-K188 HydrophobicContact CG-CB 4.02Å; E152-K188 HydrophobicContact CG-CD 3.6Å; E152-K188 VanDerWaalsContact OE1-CD 3.29Å; E152-K188 WeakPolarHBondContact OE1-CD 3.27Å; E152-K188 IonicContact OE1-NZ 3.59Å; E152-K188 PolarHBondContact OE1-NZ 3.31Å; E152-K188 WeakPolarHBondContact OE2-CD 3.3Å; E152-K188 IonicContact OE2-NZ 2.81Å; E152-K188 PolarHBondContact OE2-NZ 3.35Å
153	V	92.2	Very high	88.9	Confident	92 Å²	92	55 Å²	55	56%	0.558	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.5	-176.3	174.4	0	0	0	0	110.7	H179 F180 I181	V153-H179 HydrophobicContact CG1-CB 4.2Å; V153-F180 WeakPolarHBondContact CA-O 3.16Å; V153-I181 HydrophobicContact CG2-CG1 4.48Å
154	Y	90.2	Very high	88.4	Confident	38 Å²	38	58.1 Å²	58.1	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.4	-179.9	-58.3	-67.6	0	0	0	111.9	E152 T158 V159 P160 F168 F180 D182	E152-Y154 HydrophobicContact CB-CD2 4.47Å; E152-Y154 HydrophobicContact CB-CE2 3.68Å; Y154-T158 WeakPolarHBondContact CD1-O 3.39Å; Y154-V159 HydrophobicContact CG-CG2 4.38Å; Y154-P160 HydrophobicContact CE1-CG 4.06Å; Y154-F168 HydrophobicContact CD2-CZ 4.45Å; Y154-F180 PolarHBondContact N-O 2.8Å; Y154-F180 WeakPolarHBondContact O-CD2 3.47Å; Y154-F180 PolarHBondContact O-N 3Å; Y154-D182 HydrophobicContact CD2-CB 3.93Å; Y154-D182 HydrophobicContact CE2-CB 3.78Å
155	T	90.8	Very high	87.9	Confident	47 Å²	47	63 Å²	63	29%	0.288	33%	0.332	S	S	.	.			trans	-78	166	161.6	64.7	0	0	0	0	110.3	D157 T158 V159	T155-D157 PolarHBondContact O-N 2.67Å; T155-D157 VanDerWaalsContact O-N 3.12Å; T155-T158 PolarHBondContact N-OG1 3.25Å; T155-T158 PolarHBondContact O-N 2.7Å; T155-T158 PolarHBondContact O-OG1 3.49Å; T155-T158 PolarHBondContact OG1-OG1 2.76Å; T155-V159 WeakPolarHBondContact O-CG2 3.45Å; T155-V159 PolarHBondContact O-N 3.35Å
156	N	85.2	Confident	87.4	Confident	104 Å²	104	66.7 Å²	66.7	56%	0.556	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-38	176.6	-82.1	-31.1	0	0	0	113.1	T158 F177 F180	N156-T158 VanDerWaalsContact C-N 3.32Å; N156-T158 PolarHBondContact O-N 3.41Å; N156-F177 WeakPolarHBondContact OD1-CE1 3.39Å; N156-F180 WeakPolarHBondContact OD1-CE2 3.32Å
157	D	85.6	Confident	87.1	Confident	152 Å²	152	68.8 Å²	68.8	81%	0.813	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.2	-177.7	-36	-70.8	0	0	0	113.4	T155	T155-D157 PolarHBondContact O-N 2.67Å; T155-D157 VanDerWaalsContact O-N 3.12Å
158	T	88.8	Confident	87.1	Confident	81 Å²	81	69.2 Å²	69.2	50%	0.497	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-4.9	-175.6	53.9	0	0	0	0	114.1	Y154 T155 N156 P160	Y154-T158 WeakPolarHBondContact CD1-O 3.39Å; T155-T158 PolarHBondContact N-OG1 3.25Å; T155-T158 PolarHBondContact O-N 2.7Å; T155-T158 PolarHBondContact O-OG1 3.49Å; T155-T158 PolarHBondContact OG1-OG1 2.76Å; N156-T158 VanDerWaalsContact C-N 3.32Å; N156-T158 PolarHBondContact O-N 3.41Å; T158-P160 WeakPolarHBondContact O-CD 3.48Å
159	V	84.9	Confident	87	Confident	21 Å²	21	69.5 Å²	69.5	13%	0.127	36%	0.357	C	S	.	.	S	Bend	trans	-60.8	122.9	172.1	167.3	0	0	0	0	110.3	Y154 T155 K161 A163 F168 F180	Y154-V159 HydrophobicContact CG-CG2 4.38Å; T155-V159 WeakPolarHBondContact O-CG2 3.45Å; T155-V159 PolarHBondContact O-N 3.35Å; V159-K161 PolarHBondContact O-N 3.11Å; V159-A163 HydrophobicContact CG1-CB 4.17Å; V159-F168 HydrophobicContact CG1-CE2 4.08Å; V159-F168 HydrophobicContact CG1-CZ 4.13Å; V159-F168 HydrophobicContact CG2-CE2 3.93Å; V159-F168 HydrophobicContact CG2-CZ 4.43Å; V159-F180 HydrophobicContact CG2-CD2 3.45Å; V159-F180 VanDerWaalsContact CG2-CD2 3.45Å; V159-F180 HydrophobicContact CG2-CE2 3.67Å
160	P	84.3	Confident	87	Confident	57 Å²	57	71.6 Å²	71.6	37%	0.37	37%	0.365	S	S	.	.			trans	-59.5	136.3	173.1	-22.2	32	0	0	0	111.3	Y154 T158 N162 A163	Y154-P160 HydrophobicContact CE1-CG 4.06Å; T158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-N162 PolarHBondContact O-N 3.31Å; P160-A163 HydrophobicContact CB-CB 4.12Å; P160-A163 HydrophobicContact CG-CB 4.36Å; P160-A163 WeakPolarHBondContact O-CB 3.45Å; P160-A163 PolarHBondContact O-N 2.91Å
161	K	76.7	Confident	87	Confident	205 Å²	205	68.7 Å²	68.7	89%	0.891	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.5	-177.6	-66.4	-176	179.5	179.9	0	113.5	V159	V159-K161 PolarHBondContact O-N 3.11Å
162	N	77.1	Confident	87	Confident	161 Å²	161	69.3 Å²	69.3	86%	0.861	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	13.7	-178.7	-57.9	6.9	0	0	0	113	P160	P160-N162 PolarHBondContact O-N 3.31Å
163	A	76.1	Confident	87	Confident	22 Å²	22	69.6 Å²	69.6	18%	0.182	36%	0.355	C	S	.	.			trans	-67	138.4	-174.9	0	0	0	0	0	113.3	V159 P160 R165 F168	V159-A163 HydrophobicContact CG1-CB 4.17Å; P160-A163 HydrophobicContact CB-CB 4.12Å; P160-A163 HydrophobicContact CG-CB 4.36Å; P160-A163 WeakPolarHBondContact O-CB 3.45Å; P160-A163 PolarHBondContact O-N 2.91Å; A163-R165 PolarHBondContact O-N 3.47Å; A163-R165 VanDerWaalsContact O-N 3.1Å; A163-F168 HydrophobicContact CB-CE1 4.11Å; A163-F168 HydrophobicContact CB-CZ 3.73Å
164	N	81.7	Confident	86.7	Confident	66 Å²	66	76.4 Å²	76.4	35%	0.353	37%	0.37	S	S	.	.			trans	-80.7	92.6	-177.8	-174	-6	0	0	0	111.8	K166 F184	N164-K166 PolarHBondContact O-N 3.46Å; N164-K166 VanDerWaalsContact OD1-CB 3.27Å; N164-K166 WeakPolarHBondContact OD1-CB 3.45Å; N164-K166 PolarHBondContact OD1-N 2.86Å; N164-F184 HydrophobicContact CB-CD1 4.18Å; N164-F184 HydrophobicContact CB-CD2 3.93Å; N164-F184 HydrophobicContact CB-CE1 4.3Å; N164-F184 HydrophobicContact CB-CE2 4.06Å; N164-F184 HydrophobicContact CB-CG 4Å; N164-F184 HydrophobicContact CB-CZ 4.24Å; N164-F184 WeakPolarHBondContact ND2-CE2 3.18Å
165	R	85.2	Confident	86.2	Confident	105 Å²	105	83.1 Å²	83.1	40%	0.396	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-65.3	2.2	-175.4	-59.1	-175.2	-178.7	-170.2	-3.3	115.8	A163 Y167 F168	A163-R165 PolarHBondContact O-N 3.47Å; A163-R165 VanDerWaalsContact O-N 3.1Å; R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 PolarHBondContact O-N 2.93Å; R165-F168 HydrophobicContact CB-CD1 4.38Å; R165-F168 HydrophobicContact CB-CD2 4.44Å; R165-F168 HydrophobicContact CB-CG 4.25Å; R165-F168 HydrophobicContact CG-CD1 4.44Å; R165-F168 HydrophobicContact CG-CD2 4.08Å; R165-F168 HydrophobicContact CG-CE1 4.32Å; R165-F168 HydrophobicContact CG-CE2 4.01Å; R165-F168 HydrophobicContact CG-CG 4.32Å; R165-F168 HydrophobicContact CG-CZ 4.13Å; R165-F168 PolarHBondContact O-N 3.39Å
166	K	85	Confident	86	Confident	107 Å²	107	88 Å²	88	47%	0.465	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-62.5	-29.6	175.6	-177.9	-175.7	169.9	-153.7	0	113.4	N164 Y332	N164-K166 PolarHBondContact O-N 3.46Å; N164-K166 VanDerWaalsContact OD1-CB 3.27Å; N164-K166 WeakPolarHBondContact OD1-CB 3.45Å; N164-K166 PolarHBondContact OD1-N 2.86Å; K166-Y332 WeakPolarHBondContact O-CE1 3.47Å; K166-Y332 PolarHBondContact O-OH 3.3Å
167	Y	89.3	Confident	86.2	Confident	45 Å²	45	85.9 Å²	85.9	18%	0.176	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-109.3	13.5	-176.4	-61.5	-91.7	0	0	0	113.1	R165 G183 F184 R193	R165-Y167 VanDerWaalsContact C-N 3.27Å; R165-Y167 PolarHBondContact O-N 2.93Å; Y167-G183 PolarHBondContact O-N 3.24Å; Y167-F184 HydrophobicContact CD2-CB 4.07Å; Y167-F184 AromaticContact CD2-CD2 3.73Å; Y167-F184 HydrophobicContact CD2-CD2 3.73Å; Y167-F184 HydrophobicContact CD2-CG 4.39Å; Y167-F184 AromaticContact CE2-CD2 3.86Å; Y167-F184 HydrophobicContact CE2-CD2 3.86Å; Y167-F184 HydrophobicContact CG-CB 4.43Å; Y167-R193 HydrophobicContact CD1-CB 4.21Å; Y167-R193 WeakPolarHBondContact CE1-O 3.41Å
168	F	91.2	Very high	86.4	Confident	9 Å²	9	82.7 Å²	82.7	4%	0.039	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	125.1	-178.3	-84.7	39.9	0	0	0	111.9	Y154 V159 A163 R165 F180 D182	Y154-F168 HydrophobicContact CD2-CZ 4.45Å; V159-F168 HydrophobicContact CG1-CE2 4.08Å; V159-F168 HydrophobicContact CG1-CZ 4.13Å; V159-F168 HydrophobicContact CG2-CE2 3.93Å; V159-F168 HydrophobicContact CG2-CZ 4.43Å; A163-F168 HydrophobicContact CB-CE1 4.11Å; A163-F168 HydrophobicContact CB-CZ 3.73Å; R165-F168 HydrophobicContact CB-CD1 4.38Å; R165-F168 HydrophobicContact CB-CD2 4.44Å; R165-F168 HydrophobicContact CB-CG 4.25Å; R165-F168 HydrophobicContact CG-CD1 4.44Å; R165-F168 HydrophobicContact CG-CD2 4.08Å; R165-F168 HydrophobicContact CG-CE1 4.32Å; R165-F168 HydrophobicContact CG-CE2 4.01Å; R165-F168 HydrophobicContact CG-CG 4.32Å; R165-F168 HydrophobicContact CG-CZ 4.13Å; R165-F168 PolarHBondContact O-N 3.39Å; F168-F180 HydrophobicContact CB-CD1 4.45Å; F168-F180 HydrophobicContact CD2-CB 3.85Å; F168-F180 AromaticContact CD2-CD1 3.62Å; F168-F180 HydrophobicContact CD2-CD1 3.62Å; F168-F180 HydrophobicContact CD2-CD2 4.09Å; F168-F180 HydrophobicContact CD2-CE1 4.17Å; F168-F180 AromaticContact CD2-CG 3.58Å; F168-F180 HydrophobicContact CD2-CG 3.58Å; F168-F180 HydrophobicContact CE2-CB 4.18Å; F168-F180 HydrophobicContact CE2-CD1 4.35Å; F168-F180 AromaticContact CE2-CD2 3.99Å; F168-F180 HydrophobicContact CE2-CD2 3.99Å; F168-F180 AromaticContact CE2-CG 3.92Å; F168-F180 HydrophobicContact CE2-CG 3.92Å; F168-F180 HydrophobicContact CG-CB 4.46Å; F168-F180 HydrophobicContact CG-CD1 4.47Å; F168-D182 HydrophobicContact CD1-CB 3.73Å; F168-D182 WeakPolarHBondContact CD1-OD1 3.13Å; F168-D182 HydrophobicContact CE1-CB 3.63Å; F168-D182 WeakPolarHBondContact CE1-OD2 3.32Å; F168-D182 HydrophobicContact CZ-CB 4.38Å
169	W	93.8	Very high	86.6	Confident	22 Å²	22	79.9 Å²	79.9	8%	0.083	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.3	168.5	-65.1	79.5	0	0	0	110.2	L149 F180 I181 A208 I215 F217 V231 Y233 F237	L149-W169 HydrophobicContact CD2-CB 3.82Å; L149-W169 HydrophobicContact CD2-CD2 4.06Å; L149-W169 HydrophobicContact CD2-CG 3.47Å; L149-W169 VanDerWaalsContact CD2-CG 3.47Å; W169-F180 CarbonylContact O-C 3.53Å; W169-F180 WeakPolarHBondContact O-CA 3.21Å; W169-I181 PolarHBondContact N-O 3.47Å; W169-I181 PolarHBondContact O-N 3.49Å; W169-A208 HydrophobicContact CH2-CB 3.89Å; W169-A208 HydrophobicContact CZ3-CB 3.54Å; W169-I215 HydrophobicContact CB-CD1 3.57Å; W169-I215 HydrophobicContact CD2-CD1 4.36Å; W169-I215 HydrophobicContact CE3-CD1 4.05Å; W169-I215 HydrophobicContact CE3-CG2 4.3Å; W169-I215 HydrophobicContact CG-CD1 4.22Å; W169-F217 AromaticContact CH2-CE1 3.61Å; W169-F217 HydrophobicContact CH2-CE1 3.61Å; W169-F217 AromaticContact CH2-CZ 3.82Å; W169-F217 HydrophobicContact CH2-CZ 3.82Å; W169-F217 AromaticContact CZ2-CE1 3.88Å; W169-F217 HydrophobicContact CZ2-CE1 3.88Å; W169-F217 AromaticContact CZ2-CZ 3.64Å; W169-F217 HydrophobicContact CZ2-CZ 3.64Å; W169-F217 HydrophobicContact CZ3-CE1 4.12Å; W169-V231 HydrophobicContact CH2-CG1 4.47Å; W169-Y233 AromaticContact CE3-CE1 3.9Å; W169-Y233 HydrophobicContact CE3-CE1 3.9Å; W169-Y233 HydrophobicContact CH2-CE1 4.31Å; W169-Y233 HydrophobicContact CZ3-CD1 4.04Å; W169-Y233 AromaticContact CZ3-CE1 3.47Å; W169-Y233 HydrophobicContact CZ3-CE1 3.47Å; W169-Y233 VanDerWaalsContact CZ3-CE1 3.47Å; W169-F237 HydrophobicContact CE3-CE2 4.41Å; W169-F237 HydrophobicContact CE3-CZ 4.38Å
170	R	92.9	Very high	86.9	Confident	52 Å²	52	79.5 Å²	79.5	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.1	-178.9	-63.8	-173.6	-171.7	159.4	-1.2	111.2	Y172 F177 F180 F237 L241 P328	R170-Y172 HydrophobicContact CB-CD2 4.31Å; R170-Y172 HydrophobicContact CB-CE2 3.58Å; R170-F177 HydrophobicContact CB-CD2 4.11Å; R170-F177 HydrophobicContact CB-CE2 4.04Å; R170-F177 HydrophobicContact CG-CD2 4.25Å; R170-F177 HydrophobicContact CG-CE2 4.01Å; R170-F180 HydrophobicContact CG-CD1 3.94Å; R170-F180 HydrophobicContact CG-CE1 3.83Å; R170-F237 VanDerWaalsContact O-CZ 3.3Å; R170-F237 WeakPolarHBondContact O-CZ 3.41Å; R170-L241 HydrophobicContact CG-CD2 4.33Å; R170-P328 PolarHBondContact NH2-O 2.85Å
171	I	93.6	Very high	87.3	Confident	1 Å²	1	77.2 Å²	77.2	1%	0.005	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.8	171.2	-58	-64.1	0	0	0	109.1	H178 H179 I181 Q210 I215	I171-H178 PolarHBondContact O-N 3.32Å; I171-H179 PolarHBondContact N-O 3.12Å; I171-H179 PolarHBondContact O-N 2.91Å; I171-I181 HydrophobicContact CD1-CD1 3.87Å; I171-I181 HydrophobicContact CD1-CG1 4.47Å; I171-I181 HydrophobicContact CG1-CD1 3.88Å; I171-I181 HydrophobicContact CG1-CG1 3.98Å; I171-Q210 HydrophobicContact CD1-CG 4.05Å; I171-I215 HydrophobicContact CD1-CD1 3.52Å; I171-I215 HydrophobicContact CD1-CG1 3.59Å
172	Y	92.2	Very high	88.1	Confident	28 Å²	28	67.7 Å²	67.7	11%	0.11	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	149	-180	-64.4	-104	0	0	0	110.7	R170 E176 Q210 F237 R240	R170-Y172 HydrophobicContact CB-CD2 4.31Å; R170-Y172 HydrophobicContact CB-CE2 3.58Å; Y172-E176 CarbonylContact C-O 3.53Å; Y172-E176 WeakPolarHBondContact CA-O 3.21Å; Y172-Q210 PolarHBondContact O-NE2 3.45Å; Y172-F237 HydrophobicContact CE2-CE1 4.22Å; Y172-R240 HydrophobicContact CE1-CB 4.12Å; Y172-R240 HydrophobicContact CE2-CB 4.14Å; Y172-R240 PolarHBondContact OH-O 3.34Å
173	S	90.1	Very high	88.7	Confident	47 Å²	47	60.1 Å²	60.1	33%	0.329	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	120.7	175.9	-178.1	0	0	0	0	108.8	E175 E176	S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 3.16Å; S173-E176 PolarHBondContact N-O 2.93Å; S173-E176 PolarHBondContact O-N 2.86Å
174	R	86.5	Confident	89.3	Confident	235 Å²	235	63.8 Å²	63.8	89%	0.887	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	46.4	-172	-52.7	176.7	179.9	173.3	-0.3	112	E176	R174-E176 PolarHBondContact O-N 3.5Å
175	E	79.5	Confident	89.6	Confident	179 Å²	179	62.6 Å²	62.6	84%	0.836	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	-17.3	-178.1	-59.8	169.9	-167.3	0	0	115.7	S173	S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 3.16Å
176	E	86.7	Confident	89.8	Confident	149 Å²	149	61 Å²	61	70%	0.696	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	151.1	171.9	-62.8	-177.8	153.2	0	0	112.4	Y172 S173 R174	Y172-E176 CarbonylContact C-O 3.53Å; Y172-E176 WeakPolarHBondContact CA-O 3.21Å; S173-E176 PolarHBondContact N-O 2.93Å; S173-E176 PolarHBondContact O-N 2.86Å; R174-E176 PolarHBondContact O-N 3.5Å
177	F	89.8	Confident	90	Very high	59 Å²	59	62.6 Å²	62.6	26%	0.259	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	129.5	173	168.7	-94.5	0	0	0	110.9	N156 R170 H179 F180	N156-F177 WeakPolarHBondContact OD1-CE1 3.39Å; R170-F177 HydrophobicContact CB-CD2 4.11Å; R170-F177 HydrophobicContact CB-CE2 4.04Å; R170-F177 HydrophobicContact CG-CD2 4.25Å; R170-F177 HydrophobicContact CG-CE2 4.01Å; F177-H179 VanDerWaalsContact CE2-C 3.46Å; F177-H179 VanDerWaalsContact CE2-O 3.23Å; F177-H179 WeakPolarHBondContact CE2-O 3.46Å; F177-F180 HydrophobicContact CE1-CD2 4.45Å; F177-F180 AromaticContact CE1-CE2 3.97Å; F177-F180 HydrophobicContact CE1-CE2 3.97Å; F177-F180 HydrophobicContact CE1-CZ 4.05Å; F177-F180 AromaticContact CE2-CD1 3.76Å; F177-F180 HydrophobicContact CE2-CD1 3.76Å; F177-F180 HydrophobicContact CE2-CD2 4.41Å; F177-F180 AromaticContact CE2-CE1 3.61Å; F177-F180 HydrophobicContact CE2-CE1 3.61Å; F177-F180 HydrophobicContact CE2-CE2 4.27Å; F177-F180 HydrophobicContact CE2-CG 4.16Å; F177-F180 AromaticContact CE2-CZ 3.87Å; F177-F180 HydrophobicContact CE2-CZ 3.87Å; F177-F180 AromaticContact CZ-CD1 3.78Å; F177-F180 HydrophobicContact CZ-CD1 3.78Å; F177-F180 AromaticContact CZ-CD2 3.6Å; F177-F180 HydrophobicContact CZ-CD2 3.6Å; F177-F180 AromaticContact CZ-CE1 3.6Å; F177-F180 HydrophobicContact CZ-CE1 3.6Å; F177-F180 AromaticContact CZ-CE2 3.4Å; F177-F180 HydrophobicContact CZ-CE2 3.4Å; F177-F180 AromaticContact CZ-CG 3.79Å; F177-F180 HydrophobicContact CZ-CG 3.79Å; F177-F180 AromaticContact CZ-CZ 3.39Å; F177-F180 HydrophobicContact CZ-CZ 3.39Å
178	H	90.1	Very high	90	Very high	86 Å²	86	65 Å²	65	40%	0.398	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-49.8	-177.6	-172.8	-31.1	0	0	0	113.3	I171	I171-H178 PolarHBondContact O-N 3.32Å
179	H	91.9	Very high	90	Very high	21 Å²	21	64.6 Å²	64.6	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	163.4	-178.9	60.2	-92	0	0	0	112.6	V153 I171 F177	V153-H179 HydrophobicContact CG1-CB 4.2Å; I171-H179 PolarHBondContact N-O 3.12Å; I171-H179 PolarHBondContact O-N 2.91Å; F177-H179 VanDerWaalsContact CE2-C 3.46Å; F177-H179 VanDerWaalsContact CE2-O 3.23Å; F177-H179 WeakPolarHBondContact CE2-O 3.46Å
180	F	92.1	Very high	90	Very high	13 Å²	13	63.5 Å²	63.5	6%	0.057	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.3	167.4	-54.2	-75.7	0	0	0	110.5	V153 Y154 N156 V159 F168 W169 R170 F177	V153-F180 WeakPolarHBondContact CA-O 3.16Å; Y154-F180 PolarHBondContact N-O 2.8Å; Y154-F180 WeakPolarHBondContact O-CD2 3.47Å; Y154-F180 PolarHBondContact O-N 3Å; N156-F180 WeakPolarHBondContact OD1-CE2 3.32Å; V159-F180 HydrophobicContact CG2-CD2 3.45Å; V159-F180 VanDerWaalsContact CG2-CD2 3.45Å; V159-F180 HydrophobicContact CG2-CE2 3.67Å; F168-F180 HydrophobicContact CB-CD1 4.45Å; F168-F180 HydrophobicContact CD2-CB 3.85Å; F168-F180 AromaticContact CD2-CD1 3.62Å; F168-F180 HydrophobicContact CD2-CD1 3.62Å; F168-F180 HydrophobicContact CD2-CD2 4.09Å; F168-F180 HydrophobicContact CD2-CE1 4.17Å; F168-F180 AromaticContact CD2-CG 3.58Å; F168-F180 HydrophobicContact CD2-CG 3.58Å; F168-F180 HydrophobicContact CE2-CB 4.18Å; F168-F180 HydrophobicContact CE2-CD1 4.35Å; F168-F180 AromaticContact CE2-CD2 3.99Å; F168-F180 HydrophobicContact CE2-CD2 3.99Å; F168-F180 AromaticContact CE2-CG 3.92Å; F168-F180 HydrophobicContact CE2-CG 3.92Å; F168-F180 HydrophobicContact CG-CB 4.46Å; F168-F180 HydrophobicContact CG-CD1 4.47Å; W169-F180 CarbonylContact O-C 3.53Å; W169-F180 WeakPolarHBondContact O-CA 3.21Å; R170-F180 HydrophobicContact CG-CD1 3.94Å; R170-F180 HydrophobicContact CG-CE1 3.83Å; F177-F180 HydrophobicContact CE1-CD2 4.45Å; F177-F180 AromaticContact CE1-CE2 3.97Å; F177-F180 HydrophobicContact CE1-CE2 3.97Å; F177-F180 HydrophobicContact CE1-CZ 4.05Å; F177-F180 AromaticContact CE2-CD1 3.76Å; F177-F180 HydrophobicContact CE2-CD1 3.76Å; F177-F180 HydrophobicContact CE2-CD2 4.41Å; F177-F180 AromaticContact CE2-CE1 3.61Å; F177-F180 HydrophobicContact CE2-CE1 3.61Å; F177-F180 HydrophobicContact CE2-CE2 4.27Å; F177-F180 HydrophobicContact CE2-CG 4.16Å; F177-F180 AromaticContact CE2-CZ 3.87Å; F177-F180 HydrophobicContact CE2-CZ 3.87Å; F177-F180 AromaticContact CZ-CD1 3.78Å; F177-F180 HydrophobicContact CZ-CD1 3.78Å; F177-F180 AromaticContact CZ-CD2 3.6Å; F177-F180 HydrophobicContact CZ-CD2 3.6Å; F177-F180 AromaticContact CZ-CE1 3.6Å; F177-F180 HydrophobicContact CZ-CE1 3.6Å; F177-F180 AromaticContact CZ-CE2 3.4Å; F177-F180 HydrophobicContact CZ-CE2 3.4Å; F177-F180 AromaticContact CZ-CG 3.79Å; F177-F180 HydrophobicContact CZ-CG 3.79Å; F177-F180 AromaticContact CZ-CZ 3.39Å; F177-F180 HydrophobicContact CZ-CZ 3.39Å
181	I	92.6	Very high	90.1	Very high	10 Å²	10	61 Å²	61	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.6	157.6	-55.6	175.3	0	0	0	106.5	L149 V153 W169 I171	L149-I181 HydrophobicContact CD2-CB 4.23Å; L149-I181 HydrophobicContact CD2-CD1 4.49Å; L149-I181 HydrophobicContact CD2-CG2 4.01Å; L149-I181 HydrophobicContact CG-CG2 4.14Å; V153-I181 HydrophobicContact CG2-CG1 4.48Å; W169-I181 PolarHBondContact N-O 3.47Å; W169-I181 PolarHBondContact O-N 3.49Å; I171-I181 HydrophobicContact CD1-CD1 3.87Å; I171-I181 HydrophobicContact CD1-CG1 4.47Å; I171-I181 HydrophobicContact CG1-CD1 3.88Å; I171-I181 HydrophobicContact CG1-CG1 3.98Å
182	D	92	Very high	90.2	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.4	178	-179.2	17.3	0	0	0	111	G151 E152 Y154 F168 F184	G151-D182 CarbonylContact C-O 3.55Å; G151-D182 VanDerWaalsContact CA-O 3.3Å; G151-D182 WeakPolarHBondContact CA-O 3.2Å; E152-D182 PolarHBondContact N-O 3.17Å; E152-D182 PolarHBondContact O-N 3.11Å; Y154-D182 HydrophobicContact CD2-CB 3.93Å; Y154-D182 HydrophobicContact CE2-CB 3.78Å; F168-D182 HydrophobicContact CD1-CB 3.73Å; F168-D182 WeakPolarHBondContact CD1-OD1 3.13Å; F168-D182 HydrophobicContact CE1-CB 3.63Å; F168-D182 WeakPolarHBondContact CE1-OD2 3.32Å; F168-D182 HydrophobicContact CZ-CB 4.38Å; D182-F184 VanDerWaalsContact C-N 3.27Å; D182-F184 PolarHBondContact O-N 3.5Å; D182-F184 WeakPolarHBondContact OD1-CB 3.45Å; D182-F184 PolarHBondContact OD1-N 2.94Å
183	G	89.7	Confident	90.2	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.01	28%	0.276	C	S	.	.			trans	-79.8	6.4	174.8	0	0	0	0	0	114.9	Y167 N185 S189 R193	Y167-G183 PolarHBondContact O-N 3.24Å; G183-N185 PolarHBondContact O-N 3.39Å; G183-S189 VanDerWaalsContact C-OG 3.3Å; G183-S189 WeakPolarHBondContact CA-OG 3.47Å; G183-S189 PolarHBondContact O-OG 3.45Å; G183-R193 WeakPolarHBondContact O-CD 3.31Å; G183-R193 PolarHBondContact O-NE 3.43Å
184	F	89.8	Confident	90.4	Very high	100 Å²	100	59.4 Å²	59.4	44%	0.439	26%	0.264	S	S	.	.			trans	-64.1	-40.6	-172.5	-179.3	-120	0	0	0	113.1	N164 Y167 D182 E186 R193	N164-F184 HydrophobicContact CB-CD1 4.18Å; N164-F184 HydrophobicContact CB-CD2 3.93Å; N164-F184 HydrophobicContact CB-CE1 4.3Å; N164-F184 HydrophobicContact CB-CE2 4.06Å; N164-F184 HydrophobicContact CB-CG 4Å; N164-F184 HydrophobicContact CB-CZ 4.24Å; N164-F184 WeakPolarHBondContact ND2-CE2 3.18Å; Y167-F184 HydrophobicContact CD2-CB 4.07Å; Y167-F184 AromaticContact CD2-CD2 3.73Å; Y167-F184 HydrophobicContact CD2-CD2 3.73Å; Y167-F184 HydrophobicContact CD2-CG 4.39Å; Y167-F184 AromaticContact CE2-CD2 3.86Å; Y167-F184 HydrophobicContact CE2-CD2 3.86Å; Y167-F184 HydrophobicContact CG-CB 4.43Å; D182-F184 VanDerWaalsContact C-N 3.27Å; D182-F184 PolarHBondContact O-N 3.5Å; D182-F184 WeakPolarHBondContact OD1-CB 3.45Å; D182-F184 PolarHBondContact OD1-N 2.94Å; F184-E186 PolarHBondContact O-N 2.87Å; F184-R193 PolarHBondContact O-NH2 3.01Å
185	N	87.8	Confident	90.8	Very high	40 Å²	40	48.9 Å²	48.9	21%	0.214	23%	0.226	C	C	.	.			trans	-82.8	113.9	-175.1	-172	-19.8	0	0	0	112.7	E152 G183 E187 K188 S189	E152-N185 HydrophobicContact CG-CB 4.28Å; E152-N185 VanDerWaalsContact OE2-CB 3.31Å; E152-N185 WeakPolarHBondContact OE2-CB 3.45Å; E152-N185 PolarHBondContact OE2-ND2 3.37Å; G183-N185 PolarHBondContact O-N 3.39Å; N185-E187 VanDerWaalsContact C-N 3.33Å; N185-E187 PolarHBondContact O-N 2.98Å; N185-E187 PolarHBondContact OD1-N 3.15Å; N185-E187 VanDerWaalsContact OD1-N 3.15Å; N185-K188 HydrophobicContact CB-CB 4.44Å; N185-K188 WeakPolarHBondContact ND2-CD 3.49Å; N185-K188 PolarHBondContact O-N 2.83Å; N185-S189 WeakPolarHBondContact O-CB 3.49Å; N185-S189 PolarHBondContact O-N 2.9Å; N185-S189 PolarHBondContact O-OG 3.39Å
186	E	89.8	Confident	91.4	Very high	73 Å²	73	42.1 Å²	42.1	34%	0.341	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.1	-174.2	-64.1	-175.1	167.7	0	0	114.3	V109 Q110 A111 F184 K188 R193 Y194	V109-E186 HydrophobicContact CB-CB 4.17Å; V109-E186 HydrophobicContact CG1-CB 4.46Å; V109-E186 HydrophobicContact CG2-CB 4.08Å; Q110-E186 PolarHBondContact N-O 3.13Å; A111-E186 HydrophobicContact CB-CB 4.2Å; A111-E186 WeakPolarHBondContact CB-O 3.25Å; A111-E186 PolarHBondContact N-O 3.45Å; F184-E186 PolarHBondContact O-N 2.87Å; E186-K188 VanDerWaalsContact C-N 3.33Å; E186-R193 VanDerWaalsContact CG-NH2 3.28Å; E186-R193 IonicContact OE1-CZ 3.92Å; E186-R193 IonicContact OE1-NH1 2.63Å; E186-R193 PolarHBondContact OE1-NH1 2.86Å; E186-R193 IonicContact OE1-NH2 3.66Å; E186-R193 PolarHBondContact OE1-NH2 2.85Å; E186-R193 VanDerWaalsContact OE1-NH2 3.1Å; E186-Y194 PolarHBondContact OE1-OH 2.87Å; E186-Y194 VanDerWaalsContact OE1-OH 3.12Å; E186-Y194 PolarHBondContact OE2-OH 2.73Å
187	E	89.1	Confident	91.7	Very high	139 Å²	139	36.5 Å²	36.5	65%	0.65	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23	176.4	-61.1	-177.2	164.2	0	0	112.7	Q110 N185	Q110-E187 VanDerWaalsContact CB-O 3.23Å; Q110-E187 WeakPolarHBondContact CB-O 3.47Å; N185-E187 VanDerWaalsContact C-N 3.33Å; N185-E187 PolarHBondContact O-N 2.98Å; N185-E187 PolarHBondContact OD1-N 3.15Å; N185-E187 VanDerWaalsContact OD1-N 3.15Å
188	K	88.7	Confident	91.8	Very high	96 Å²	96	33.9 Å²	33.9	42%	0.417	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-6.4	-173.3	-62	175.4	-172	165.7	0	114	Q110 E152 N185 E186	Q110-K188 PolarHBondContact NE2-O 3.14Å; Q110-K188 VanDerWaalsContact NE2-O 3.16Å; E152-K188 HydrophobicContact CG-CB 4.02Å; E152-K188 HydrophobicContact CG-CD 3.6Å; E152-K188 VanDerWaalsContact OE1-CD 3.29Å; E152-K188 WeakPolarHBondContact OE1-CD 3.27Å; E152-K188 IonicContact OE1-NZ 3.59Å; E152-K188 PolarHBondContact OE1-NZ 3.31Å; E152-K188 WeakPolarHBondContact OE2-CD 3.3Å; E152-K188 IonicContact OE2-NZ 2.81Å; E152-K188 PolarHBondContact OE2-NZ 3.35Å; N185-K188 HydrophobicContact CB-CB 4.44Å; N185-K188 WeakPolarHBondContact ND2-CD 3.49Å; N185-K188 PolarHBondContact O-N 2.83Å; E186-K188 VanDerWaalsContact C-N 3.33Å
189	S	91.7	Very high	91.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-104.2	169.4	-179.9	-51.7	0	0	0	0	112.1	Q110 A111 I150 G183 N185	Q110-S189 CarbonylContact C-O 3.45Å; Q110-S189 PolarHBondContact NE2-O 3.27Å; A111-S189 WeakPolarHBondContact CA-O 3.41Å; A111-S189 PolarHBondContact N-O 3.17Å; I150-S189 WeakPolarHBondContact O-CA 3.25Å; I150-S189 WeakPolarHBondContact O-CB 3.29Å; G183-S189 VanDerWaalsContact C-OG 3.3Å; G183-S189 WeakPolarHBondContact CA-OG 3.47Å; G183-S189 PolarHBondContact O-OG 3.45Å; N185-S189 WeakPolarHBondContact O-CB 3.49Å; N185-S189 PolarHBondContact O-N 2.9Å; N185-S189 PolarHBondContact O-OG 3.39Å
190	N	93.7	Very high	91.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.			trans	-104.4	171.6	168.4	68.9	-16.3	0	0	0	112.7	D96 S114 P148 I150 M192 R193	D96-N190 WeakPolarHBondContact OD2-CB 3.45Å; D96-N190 PolarHBondContact OD2-ND2 3.33Å; S114-N190 WeakPolarHBondContact OG-CA 3.36Å; S114-N190 WeakPolarHBondContact OG-CB 3.43Å; P148-N190 PolarHBondContact O-ND2 2.95Å; I150-N190 HydrophobicContact CB-CB 3.96Å; I150-N190 HydrophobicContact CD1-CB 4.28Å; I150-N190 HydrophobicContact CG1-CB 4.25Å; I150-N190 PolarHBondContact N-OD1 2.89Å; I150-N190 PolarHBondContact O-N 3.38Å; I150-N190 VanDerWaalsContact O-N 3.12Å; I150-N190 PolarHBondContact O-OD1 3.35Å; N190-M192 PolarHBondContact O-N 2.7Å; N190-R193 WeakPolarHBondContact O-CG 3.45Å; N190-R193 PolarHBondContact O-N 3.35Å; N190-R193 VanDerWaalsContact O-N 3.15Å
191	W	94.9	Very high	90.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-50.5	-23.8	-179.1	69	-83.2	0	0	0	115.1	D96 A111 S114 L115 P116 L119 F121 V134 F146 R193 Y194 V195 L229	D96-W191 PolarHBondContact OD1-NE1 2.82Å; A111-W191 WeakPolarHBondContact O-CA 3.33Å; A111-W191 VanDerWaalsContact O-CB 3.3Å; A111-W191 WeakPolarHBondContact O-CB 3.32Å; A111-W191 PolarHBondContact O-N 3.19Å; S114-W191 PolarHBondContact OG-N 2.85Å; L115-W191 HydrophobicContact CB-CB 4.16Å; L115-W191 HydrophobicContact CB-CG 4.5Å; L115-W191 HydrophobicContact CD1-CB 3.83Å; L115-W191 HydrophobicContact CD1-CD2 3.87Å; L115-W191 HydrophobicContact CD1-CE3 3.74Å; L115-W191 HydrophobicContact CD1-CG 3.92Å; P116-W191 VanDerWaalsContact CD-CE2 3.44Å; P116-W191 HydrophobicContact CG-CZ2 3.95Å; L119-W191 HydrophobicContact CD1-CD2 4.49Å; L119-W191 HydrophobicContact CD1-CE3 3.92Å; L119-W191 HydrophobicContact CD1-CH2 3.51Å; L119-W191 HydrophobicContact CD1-CZ2 4.11Å; L119-W191 HydrophobicContact CD1-CZ3 3.4Å; L119-W191 VanDerWaalsContact CD1-CZ3 3.4Å; F121-W191 HydrophobicContact CE1-CB 4.28Å; F121-W191 HydrophobicContact CZ-CB 4.1Å; V134-W191 HydrophobicContact CG1-CE3 4.26Å; V134-W191 HydrophobicContact CG1-CZ3 4.22Å; V134-W191 HydrophobicContact CG2-CE3 4.28Å; F146-W191 HydrophobicContact CB-CH2 3.98Å; F146-W191 HydrophobicContact CB-CZ2 3.88Å; F146-W191 AromaticContact CD1-CH2 3.65Å; F146-W191 HydrophobicContact CD1-CH2 3.65Å; F146-W191 AromaticContact CD1-CZ2 3.65Å; F146-W191 HydrophobicContact CD1-CZ2 3.65Å; F146-W191 HydrophobicContact CE1-CH2 4.32Å; F146-W191 AromaticContact CG-CH2 3.91Å; F146-W191 HydrophobicContact CG-CH2 3.91Å; F146-W191 HydrophobicContact CG-CZ2 4.08Å; W191-R193 PolarHBondContact O-N 3.46Å; W191-R193 VanDerWaalsContact O-N 3.08Å; W191-Y194 WeakPolarHBondContact O-CD2 3.49Å; W191-Y194 PolarHBondContact O-N 3.26Å; W191-V195 HydrophobicContact CE3-CG2 4.13Å; W191-V195 HydrophobicContact CZ3-CG2 3.66Å; W191-L229 HydrophobicContact CH2-CD2 4.47Å; W191-L229 HydrophobicContact CZ3-CD2 4.17Å
192	M	95.2	Very high	90.3	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.1	-22.9	178.9	-67.5	174.9	65.3	0	0	112.7	G147 L149 N190 Y194 V195 F217	G147-M192 WeakPolarHBondContact CA-SD 3.37Å; L149-M192 HydrophobicContact CB-CE 3.96Å; L149-M192 HydrophobicContact CB-SD 4.28Å; L149-M192 HydrophobicContact CD1-CB 3.77Å; L149-M192 HydrophobicContact CD1-CE 4.45Å; N190-M192 PolarHBondContact O-N 2.7Å; M192-Y194 PolarHBondContact O-N 3Å; M192-V195 PolarHBondContact O-N 3.22Å; M192-F217 HydrophobicContact CB-CE2 3.91Å; M192-F217 HydrophobicContact CB-CZ 4.39Å; M192-F217 HydrophobicContact CE-CB 4.4Å; M192-F217 HydrophobicContact CE-CD1 3.72Å; M192-F217 HydrophobicContact CE-CD2 3.58Å; M192-F217 HydrophobicContact CE-CE1 3.76Å; M192-F217 HydrophobicContact CE-CE2 3.62Å; M192-F217 HydrophobicContact CE-CG 3.62Å; M192-F217 HydrophobicContact CE-CZ 3.71Å; M192-F217 HydrophobicContact CG-CD2 4.43Å; M192-F217 HydrophobicContact CG-CE2 4.24Å
193	R	93.7	Very high	90.2	Very high	23 Å²	23	51.7 Å²	51.7	9%	0.087	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59.7	-24.6	173.1	76	-179.6	-65.3	-88.6	20.7	114.4	A111 Y167 G183 F184 E186 N190 W191	A111-R193 HydrophobicContact CB-CG 4.28Å; Y167-R193 HydrophobicContact CD1-CB 4.21Å; Y167-R193 WeakPolarHBondContact CE1-O 3.41Å; G183-R193 WeakPolarHBondContact O-CD 3.31Å; G183-R193 PolarHBondContact O-NE 3.43Å; F184-R193 PolarHBondContact O-NH2 3.01Å; E186-R193 VanDerWaalsContact CG-NH2 3.28Å; E186-R193 IonicContact OE1-CZ 3.92Å; E186-R193 IonicContact OE1-NH1 2.63Å; E186-R193 PolarHBondContact OE1-NH1 2.86Å; E186-R193 IonicContact OE1-NH2 3.66Å; E186-R193 PolarHBondContact OE1-NH2 2.85Å; E186-R193 VanDerWaalsContact OE1-NH2 3.1Å; N190-R193 WeakPolarHBondContact O-CG 3.45Å; N190-R193 PolarHBondContact O-N 3.35Å; N190-R193 VanDerWaalsContact O-N 3.15Å; W191-R193 PolarHBondContact O-N 3.46Å; W191-R193 VanDerWaalsContact O-N 3.08Å
194	Y	93.7	Very high	90.3	Very high	17 Å²	17	51.9 Å²	51.9	7%	0.067	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-92.8	-1	-177.8	-58.4	-78	0	0	0	113.1	A111 F121 V131 G133 E186 W191 M192 N196	A111-Y194 HydrophobicContact CB-CE2 3.69Å; F121-Y194 HydrophobicContact CD1-CD2 4.46Å; F121-Y194 AromaticContact CE1-CD2 3.65Å; F121-Y194 HydrophobicContact CE1-CD2 3.65Å; F121-Y194 HydrophobicContact CE1-CE2 4.19Å; F121-Y194 HydrophobicContact CE1-CG 4.22Å; F121-Y194 HydrophobicContact CZ-CD2 4.15Å; F121-Y194 HydrophobicContact CZ-CE2 4.28Å; V131-Y194 HydrophobicContact CB-CD1 3.65Å; V131-Y194 HydrophobicContact CB-CE1 3.64Å; V131-Y194 HydrophobicContact CB-CG 4.29Å; V131-Y194 HydrophobicContact CG1-CD1 3.35Å; V131-Y194 HydrophobicContact CG1-CD2 4.18Å; V131-Y194 HydrophobicContact CG1-CE1 3.85Å; V131-Y194 HydrophobicContact CG1-CG 3.54Å; V131-Y194 HydrophobicContact CG2-CE1 4.36Å; G133-Y194 WeakPolarHBondContact CA-O 3.46Å; E186-Y194 PolarHBondContact OE1-OH 2.87Å; E186-Y194 VanDerWaalsContact OE1-OH 3.12Å; E186-Y194 PolarHBondContact OE2-OH 2.73Å; W191-Y194 WeakPolarHBondContact O-CD2 3.49Å; W191-Y194 PolarHBondContact O-N 3.26Å; M192-Y194 PolarHBondContact O-N 3Å; Y194-N196 PolarHBondContact O-N 3.46Å
195	V	94.6	Very high	90.5	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.085	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-74.9	120.5	177.1	-179.7	0	0	0	0	108.9	V134 W191 M192 L206 F217 L229 V231	V134-V195 HydrophobicContact CB-CG2 4.45Å; V134-V195 HydrophobicContact CG2-CG2 4.13Å; W191-V195 HydrophobicContact CE3-CG2 4.13Å; W191-V195 HydrophobicContact CZ3-CG2 3.66Å; M192-V195 PolarHBondContact O-N 3.22Å; V195-L206 HydrophobicContact CG1-CD1 3.94Å; V195-F217 HydrophobicContact CB-CE2 3.95Å; V195-F217 HydrophobicContact CG1-CD2 4.38Å; V195-F217 HydrophobicContact CG1-CE2 4.17Å; V195-F217 HydrophobicContact CG2-CD2 4.31Å; V195-F217 HydrophobicContact CG2-CE2 4.02Å; V195-L229 HydrophobicContact CG1-CB 4.18Å; V195-V231 HydrophobicContact CG1-CB 3.91Å; V195-V231 HydrophobicContact CG1-CG1 3.8Å
196	N	92.7	Very high	90.9	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.193	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	147.2	-177	-78.4	-45	0	0	0	111.2	I132 Y194 E228 L230 V231	I132-N196 PolarHBondContact O-ND2 3.22Å; Y194-N196 PolarHBondContact O-N 3.46Å; N196-E228 PolarHBondContact ND2-OE1 3.28Å; N196-L230 HydrophobicContact CB-CD2 3.84Å; N196-L230 WeakPolarHBondContact O-CA 3.48Å; N196-V231 PolarHBondContact O-N 3.49Å
197	P	92.8	Very high	91.2	Very high	32 Å²	32	42 Å²	42	21%	0.208	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.7	171.7	30.3	-34.5	0	0	0	110.5	V231 Y332	P197-V231 CarbonylContact C-O 3.52Å; P197-V231 VanDerWaalsContact CA-O 3.28Å; P197-V231 WeakPolarHBondContact CA-O 3.4Å; P197-Y332 HydrophobicContact CG-CD1 4.15Å
198	A	91.1	Very high	91.5	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-72.6	136.2	170.9	0	0	0	0	0	110.8	E203 Q204 L230 V231	A198-E203 HydrophobicContact CB-CG 3.83Å; A198-Q204 HydrophobicContact CB-CB 3.61Å; A198-Q204 HydrophobicContact CB-CG 4.07Å; A198-L230 HydrophobicContact CB-CB 4.04Å; A198-V231 PolarHBondContact N-O 3.45Å
199	H	82.6	Confident	91.8	Very high	104 Å²	104	30.8 Å²	30.8	48%	0.481	16%	0.155	S	C	.	.	S	Bend	trans	-84	-12.8	174	-56.6	-48.2	0	0	0	113.3	E203	H199-E203 WeakPolarHBondContact CB-OE2 3.48Å; H199-E203 IonicContact CD2-OE2 3.56Å; H199-E203 IonicContact CG-OE2 3.7Å; H199-E203 PolarHBondContact N-OE2 3.29Å
200	S	85.7	Confident	92	Very high	49 Å²	49	31.8 Å²	31.8	34%	0.343	16%	0.159	S	C	.	.	S	Bend	trans	-153.8	158.7	-179.1	73.2	0	0	0	0	113.4	R202 E203 Q204	S200-R202 PolarHBondContact O-N 2.87Å; S200-R202 VanDerWaalsContact O-N 3.17Å; S200-R202 PolarHBondContact OG-N 3.21Å; S200-E203 VanDerWaalsContact CB-OE1 3.26Å; S200-E203 WeakPolarHBondContact CB-OE1 3.41Å; S200-E203 PolarHBondContact N-OE1 3.1Å; S200-E203 PolarHBondContact O-N 3.21Å; S200-E203 PolarHBondContact OG-N 2.97Å; S200-E203 PolarHBondContact OG-OE1 3.47Å; S200-Q204 PolarHBondContact O-N 2.93Å
201	A	83.2	Confident	91.8	Very high	65 Å²	65	32.4 Å²	32.4	54%	0.537	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.1	170.1	0	0	0	0	0	113.6	P246	A201-P246 HydrophobicContact CB-CB 3.81Å; A201-P246 HydrophobicContact CB-CG 4.16Å
202	R	84.7	Confident	91.6	Very high	231 Å²	231	35.3 Å²	35.3	87%	0.872	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-40	-179.9	-70	-175.6	177.2	-178.7	0.1	112.2	S200 K221	S200-R202 PolarHBondContact O-N 2.87Å; S200-R202 VanDerWaalsContact O-N 3.17Å; S200-R202 PolarHBondContact OG-N 3.21Å; R202-K221 PolarHBondContact O-NZ 3.27Å
203	E	89.4	Confident	91.4	Very high	59 Å²	59	40.8 Å²	40.8	28%	0.276	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-35.9	-179.8	75.8	-151.5	74.3	0	0	112.5	A198 H199 S200 N205 K221 L230	A198-E203 HydrophobicContact CB-CG 3.83Å; H199-E203 WeakPolarHBondContact CB-OE2 3.48Å; H199-E203 IonicContact CD2-OE2 3.56Å; H199-E203 IonicContact CG-OE2 3.7Å; H199-E203 PolarHBondContact N-OE2 3.29Å; S200-E203 VanDerWaalsContact CB-OE1 3.26Å; S200-E203 WeakPolarHBondContact CB-OE1 3.41Å; S200-E203 PolarHBondContact N-OE1 3.1Å; S200-E203 PolarHBondContact O-N 3.21Å; S200-E203 PolarHBondContact OG-N 2.97Å; S200-E203 PolarHBondContact OG-OE1 3.47Å; E203-N205 PolarHBondContact O-N 3.4Å; E203-K221 PolarHBondContact O-NZ 2.9Å; E203-L230 HydrophobicContact CB-CD1 3.91Å; E203-L230 HydrophobicContact CG-CD1 3.82Å
204	Q	91.4	Very high	91.4	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	23%	0.233	C	C	.	.			trans	-47.2	124.7	-177.6	-174.3	-164.3	-5.2	0	0	112.1	A198 S200 L206 I220 K221 W232	A198-Q204 HydrophobicContact CB-CB 3.61Å; A198-Q204 HydrophobicContact CB-CG 4.07Å; S200-Q204 PolarHBondContact O-N 2.93Å; Q204-L206 VanDerWaalsContact CG-O 3.28Å; Q204-L206 WeakPolarHBondContact CG-O 3.34Å; Q204-L206 PolarHBondContact NE2-O 3.33Å; Q204-I220 HydrophobicContact CB-CD1 4.44Å; Q204-I220 HydrophobicContact CG-CD1 3.96Å; Q204-K221 VanDerWaalsContact O-CE 3.29Å; Q204-K221 WeakPolarHBondContact O-CE 3.42Å; Q204-K221 PolarHBondContact O-NZ 3.33Å; Q204-W232 HydrophobicContact CG-CB 3.99Å
205	N	94.4	Very high	91.5	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.23	C	C	.	.			trans	-118.5	-13.9	173.5	55	32.5	0	0	0	113.5	E203 T219 I220 K221 I223 E228 L230	E203-N205 PolarHBondContact O-N 3.4Å; N205-T219 CarbonylContact O-C 3.51Å; N205-T219 VanDerWaalsContact O-CA 3.26Å; N205-T219 WeakPolarHBondContact O-CA 3.21Å; N205-I220 WeakPolarHBondContact O-CG1 3.5Å; N205-I220 PolarHBondContact O-N 2.78Å; N205-K221 HydrophobicContact CB-CG 4.11Å; N205-I223 HydrophobicContact CB-CD1 3.79Å; N205-I223 HydrophobicContact CB-CG1 3.78Å; N205-I223 VanDerWaalsContact CG-CD1 3.45Å; N205-E228 PolarHBondContact ND2-O 3.47Å; N205-L230 PolarHBondContact N-O 2.62Å; N205-L230 PolarHBondContact OD1-N 2.98Å; N205-L230 PolarHBondContact OD1-O 3.12Å
206	L	95.9	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.1	176	-67.4	168.7	0	0	0	112.1	F146 V195 Q204 F217 Y218 T219 L229 L230 V231 W232	F146-L206 HydrophobicContact CD2-CD2 4.09Å; F146-L206 HydrophobicContact CE2-CD2 4.32Å; V195-L206 HydrophobicContact CG1-CD1 3.94Å; Q204-L206 VanDerWaalsContact CG-O 3.28Å; Q204-L206 WeakPolarHBondContact CG-O 3.34Å; Q204-L206 PolarHBondContact NE2-O 3.33Å; L206-F217 HydrophobicContact CB-CB 4.35Å; L206-F217 HydrophobicContact CD1-CB 4.27Å; L206-F217 HydrophobicContact CD1-CD2 4.29Å; L206-F217 HydrophobicContact CD2-CB 4.11Å; L206-F217 HydrophobicContact CG-CB 4.49Å; L206-Y218 CarbonylContact C-O 3.27Å; L206-Y218 WeakPolarHBondContact CA-O 3.49Å; L206-T219 HydrophobicContact CD2-CG2 3.59Å; L206-L229 HydrophobicContact CD1-CB 3.82Å; L206-L229 HydrophobicContact CD1-CD2 4.06Å; L206-L229 HydrophobicContact CD1-CG 3.98Å; L206-L230 PolarHBondContact N-O 3.05Å; L206-V231 HydrophobicContact CB-CB 3.92Å; L206-V231 HydrophobicContact CB-CG2 3.86Å; L206-V231 WeakPolarHBondContact O-CA 3.48Å; L206-W232 PolarHBondContact O-N 2.8Å
207	A	95.3	Very high	91.8	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	165.4	0	0	0	0	0	110.1	F86 F217 Y218 I220 W232 C234	F86-A207 HydrophobicContact CE1-CB 3.88Å; F86-A207 HydrophobicContact CE2-CB 4.37Å; F86-A207 HydrophobicContact CZ-CB 3.6Å; A207-F217 WeakPolarHBondContact O-CA 3.49Å; A207-Y218 PolarHBondContact N-O 3.26Å; A207-Y218 PolarHBondContact O-N 3.5Å; A207-I220 HydrophobicContact CB-CG2 3.61Å; A207-W232 CarbonylContact C-O 3.54Å; A207-W232 VanDerWaalsContact CA-O 3.31Å; A207-W232 WeakPolarHBondContact CA-O 3.21Å; A207-C234 HydrophobicContact CB-CB 4.42Å
208	A	96	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.3	172.3	0	0	0	0	0	110.2	W169 Y216 F217 V231 W232 C234	W169-A208 HydrophobicContact CH2-CB 3.89Å; W169-A208 HydrophobicContact CZ3-CB 3.54Å; A208-Y216 WeakPolarHBondContact CA-O 3.47Å; A208-F217 HydrophobicContact CB-CD1 3.69Å; A208-F217 HydrophobicContact CB-CE1 3.76Å; A208-V231 HydrophobicContact CB-CG2 3.84Å; A208-W232 PolarHBondContact N-O 3.04Å; A208-C234 PolarHBondContact O-N 2.89Å; A208-C234 PolarHBondContact O-SG 3.09Å
209	C	95.5	Very high	92.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.8	-179.7	-55.5	0	0	0	0	109.8	E83 F86 I215 Y216 Y218	E83-C209 HydrophobicContact CB-CB 4.4Å; E83-C209 HydrophobicContact CG-CB 3.98Å; F86-C209 WeakPolarHBondContact CD2-SG 3.37Å; F86-C209 VanDerWaalsContact CG-SG 3.58Å; C209-I215 WeakPolarHBondContact O-CA 3.18Å; C209-Y216 PolarHBondContact N-O 3.12Å; C209-Y216 PolarHBondContact O-N 2.88Å; C209-Y218 HydrophobicContact CB-CD2 4.04Å; C209-Y218 HydrophobicContact CB-CE2 3.84Å
210	Q	94.7	Very high	92.7	Very high	20 Å²	20	35.1 Å²	35.1	9%	0.093	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.7	168.2	-166.8	-162.7	-48.7	0	0	109.7	E83 I171 Y172 G212 N214 I215 F237	E83-Q210 WeakPolarHBondContact OE1-CB 3.16Å; E83-Q210 PolarHBondContact OE1-N 3.17Å; I171-Q210 HydrophobicContact CD1-CG 4.05Å; Y172-Q210 PolarHBondContact O-NE2 3.45Å; Q210-G212 PolarHBondContact NE2-O 3.31Å; Q210-N214 CarbonylContact C-O 3.36Å; Q210-N214 WeakPolarHBondContact CA-O 3.4Å; Q210-I215 HydrophobicContact CB-CG1 4.38Å; Q210-I215 HydrophobicContact CG-CG1 4.37Å; Q210-F237 HydrophobicContact CB-CD2 4.45Å; Q210-F237 HydrophobicContact CB-CE2 4.3Å
211	N	90.9	Very high	93	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.07	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.8	177.5	-70	91.9	0	0	0	109.3	E83 E87 M213 N214 Y216 Y218	E83-N211 PolarHBondContact O-ND2 2.88Å; E87-N211 VanDerWaalsContact CB-ND2 3.28Å; E87-N211 WeakPolarHBondContact CB-ND2 3.39Å; E87-N211 WeakPolarHBondContact OE2-CB 3.36Å; E87-N211 PolarHBondContact OE2-ND2 2.71Å; N211-M213 PolarHBondContact O-N 3.06Å; N211-N214 PolarHBondContact N-O 3.41Å; N211-N214 PolarHBondContact O-N 3.44Å; N211-Y216 HydrophobicContact CB-CD2 3.89Å; N211-Y216 HydrophobicContact CB-CE2 3.97Å; N211-Y218 PolarHBondContact OD1-OH 3.32Å
212	G	90	Very high	93.5	Very high	61 Å²	61	35.1 Å²	35.1	63%	0.629	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	-124.4	-166.1	0	0	0	0	0	110.9	Q210	Q210-G212 PolarHBondContact NE2-O 3.31Å
213	M	91.1	Very high	94	Very high	118 Å²	118	24.1 Å²	24.1	58%	0.581	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.5	177.3	-66.6	173.3	170.4	0	0	113.3	N211	N211-M213 PolarHBondContact O-N 3.06Å
214	N	94.2	Very high	94.1	Very high	67 Å²	67	24 Å²	24	36%	0.358	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.1	-175.4	-65.9	-26.5	0	0	0	111.3	P148 Q210 N211 Y216	P148-N214 HydrophobicContact CB-CB 3.91Å; Q210-N214 CarbonylContact C-O 3.36Å; Q210-N214 WeakPolarHBondContact CA-O 3.4Å; N211-N214 PolarHBondContact N-O 3.41Å; N211-N214 PolarHBondContact O-N 3.44Å; N214-Y216 HydrophobicContact CB-CD2 4.32Å; N214-Y216 HydrophobicContact CB-CE2 3.55Å; N214-Y216 PolarHBondContact ND2-OH 3.19Å; N214-Y216 VanDerWaalsContact ND2-OH 3.07Å
215	I	95.1	Very high	94.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.9	168.3	-72	165.6	0	0	0	110	P148 L149 W169 I171 C209 Q210 F217 F237	P148-I215 CarbonylContact C-O 3.54Å; P148-I215 WeakPolarHBondContact CA-O 3.43Å; L149-I215 HydrophobicContact CB-CB 4.11Å; L149-I215 HydrophobicContact CB-CG2 4.37Å; L149-I215 HydrophobicContact CD2-CB 4.34Å; L149-I215 HydrophobicContact CD2-CD1 4.4Å; L149-I215 HydrophobicContact CD2-CG2 4.45Å; L149-I215 PolarHBondContact N-O 2.81Å; W169-I215 HydrophobicContact CB-CD1 3.57Å; W169-I215 HydrophobicContact CD2-CD1 4.36Å; W169-I215 HydrophobicContact CE3-CD1 4.05Å; W169-I215 HydrophobicContact CE3-CG2 4.3Å; W169-I215 HydrophobicContact CG-CD1 4.22Å; I171-I215 HydrophobicContact CD1-CD1 3.52Å; I171-I215 HydrophobicContact CD1-CG1 3.59Å; C209-I215 WeakPolarHBondContact O-CA 3.18Å; Q210-I215 HydrophobicContact CB-CG1 4.38Å; Q210-I215 HydrophobicContact CG-CG1 4.37Å; I215-F217 HydrophobicContact CG2-CD1 4.36Å; I215-F217 HydrophobicContact CG2-CE1 4.02Å; I215-F237 HydrophobicContact CD1-CE2 3.83Å; I215-F237 HydrophobicContact CD1-CZ 3.75Å; I215-F237 HydrophobicContact CG1-CE2 3.99Å; I215-F237 HydrophobicContact CG1-CZ 4.34Å
216	Y	96.8	Very high	94.1	Very high	23 Å²	23	31.5 Å²	31.5	9%	0.09	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151	176.3	-60.6	-86.6	0	0	0	110.3	R145 F146 P148 A208 C209 N211 N214	R145-Y216 HydrophobicContact CG-CD1 4Å; R145-Y216 HydrophobicContact CG-CG 4.08Å; F146-Y216 WeakPolarHBondContact O-CA 3.14Å; F146-Y216 WeakPolarHBondContact O-CB 3.28Å; F146-Y216 WeakPolarHBondContact O-CD1 3.33Å; P148-Y216 HydrophobicContact CB-CD1 4.38Å; P148-Y216 HydrophobicContact CB-CE1 3.77Å; P148-Y216 HydrophobicContact CG-CE1 4.37Å; P148-Y216 VanDerWaalsContact N-CE1 3.33Å; A208-Y216 WeakPolarHBondContact CA-O 3.47Å; C209-Y216 PolarHBondContact N-O 3.12Å; C209-Y216 PolarHBondContact O-N 2.88Å; N211-Y216 HydrophobicContact CB-CD2 3.89Å; N211-Y216 HydrophobicContact CB-CE2 3.97Å; N214-Y216 HydrophobicContact CB-CD2 4.32Å; N214-Y216 HydrophobicContact CB-CE2 3.55Å; N214-Y216 PolarHBondContact ND2-OH 3.19Å; N214-Y216 VanDerWaalsContact ND2-OH 3.07Å
217	F	97	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.3	173.4	-58.9	-17.3	0	0	0	109.9	R145 F146 W169 M192 V195 L206 A207 A208 I215 V231	R145-F217 CarbonylContact C-O 3.54Å; R145-F217 WeakPolarHBondContact CA-O 3.09Å; F146-F217 HydrophobicContact CB-CB 4.41Å; F146-F217 PolarHBondContact N-O 3.12Å; F146-F217 PolarHBondContact O-N 2.89Å; W169-F217 AromaticContact CH2-CE1 3.61Å; W169-F217 HydrophobicContact CH2-CE1 3.61Å; W169-F217 AromaticContact CH2-CZ 3.82Å; W169-F217 HydrophobicContact CH2-CZ 3.82Å; W169-F217 AromaticContact CZ2-CE1 3.88Å; W169-F217 HydrophobicContact CZ2-CE1 3.88Å; W169-F217 AromaticContact CZ2-CZ 3.64Å; W169-F217 HydrophobicContact CZ2-CZ 3.64Å; W169-F217 HydrophobicContact CZ3-CE1 4.12Å; M192-F217 HydrophobicContact CB-CE2 3.91Å; M192-F217 HydrophobicContact CB-CZ 4.39Å; M192-F217 HydrophobicContact CE-CB 4.4Å; M192-F217 HydrophobicContact CE-CD1 3.72Å; M192-F217 HydrophobicContact CE-CD2 3.58Å; M192-F217 HydrophobicContact CE-CE1 3.76Å; M192-F217 HydrophobicContact CE-CE2 3.62Å; M192-F217 HydrophobicContact CE-CG 3.62Å; M192-F217 HydrophobicContact CE-CZ 3.71Å; M192-F217 HydrophobicContact CG-CD2 4.43Å; M192-F217 HydrophobicContact CG-CE2 4.24Å; V195-F217 HydrophobicContact CB-CE2 3.95Å; V195-F217 HydrophobicContact CG1-CD2 4.38Å; V195-F217 HydrophobicContact CG1-CE2 4.17Å; V195-F217 HydrophobicContact CG2-CD2 4.31Å; V195-F217 HydrophobicContact CG2-CE2 4.02Å; L206-F217 HydrophobicContact CB-CB 4.35Å; L206-F217 HydrophobicContact CD1-CB 4.27Å; L206-F217 HydrophobicContact CD1-CD2 4.29Å; L206-F217 HydrophobicContact CD2-CB 4.11Å; L206-F217 HydrophobicContact CG-CB 4.49Å; A207-F217 WeakPolarHBondContact O-CA 3.49Å; A208-F217 HydrophobicContact CB-CD1 3.69Å; A208-F217 HydrophobicContact CB-CE1 3.76Å; I215-F217 HydrophobicContact CG2-CD1 4.36Å; I215-F217 HydrophobicContact CG2-CE1 4.02Å; F217-V231 HydrophobicContact CD1-CG2 3.94Å; F217-V231 HydrophobicContact CD2-CG2 4.36Å; F217-V231 HydrophobicContact CE1-CG2 4.11Å; F217-V231 HydrophobicContact CG-CG2 4.09Å; F217-V231 HydrophobicContact CZ-CG2 4.39Å
218	Y	96.7	Very high	94	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	-175.9	-68.9	-99	0	0	0	111.4	F86 C90 T144 R145 L206 A207 C209 N211 I220	F86-Y218 HydrophobicContact CB-CD1 4.16Å; F86-Y218 HydrophobicContact CB-CD2 4.17Å; F86-Y218 HydrophobicContact CB-CE1 4.07Å; F86-Y218 HydrophobicContact CB-CE2 4.1Å; F86-Y218 HydrophobicContact CB-CG 4.2Å; F86-Y218 VanDerWaalsContact CD1-CB 3.49Å; F86-Y218 AromaticContact CD1-CD1 3.99Å; F86-Y218 HydrophobicContact CD1-CD1 3.99Å; F86-Y218 HydrophobicContact CD1-CD2 4.12Å; F86-Y218 AromaticContact CD1-CG 3.63Å; F86-Y218 HydrophobicContact CD1-CG 3.63Å; F86-Y218 HydrophobicContact CE1-CG 4.4Å; F86-Y218 HydrophobicContact CG-CD2 4.37Å; F86-Y218 HydrophobicContact CG-CG 4.27Å; F86-Y218 WeakPolarHBondContact O-CE1 3.35Å; C90-Y218 HydrophobicContact CB-CD1 4.14Å; C90-Y218 HydrophobicContact CB-CE1 3.83Å; T144-Y218 CarbonylContact O-C 3.5Å; T144-Y218 WeakPolarHBondContact O-CA 3.47Å; R145-Y218 HydrophobicContact CB-CD1 3.8Å; R145-Y218 HydrophobicContact CB-CE1 3.66Å; R145-Y218 VanDerWaalsContact CD-CZ 3.44Å; R145-Y218 VanDerWaalsContact CD-OH 3.25Å; R145-Y218 WeakPolarHBondContact CD-OH 3.49Å; R145-Y218 HydrophobicContact CG-CD1 3.89Å; R145-Y218 HydrophobicContact CG-CD2 4.4Å; R145-Y218 HydrophobicContact CG-CE1 3.48Å; R145-Y218 VanDerWaalsContact CG-CE1 3.48Å; R145-Y218 HydrophobicContact CG-CE2 4.02Å; R145-Y218 HydrophobicContact CG-CG 4.34Å; L206-Y218 CarbonylContact C-O 3.27Å; L206-Y218 WeakPolarHBondContact CA-O 3.49Å; A207-Y218 PolarHBondContact N-O 3.26Å; A207-Y218 PolarHBondContact O-N 3.5Å; C209-Y218 HydrophobicContact CB-CD2 4.04Å; C209-Y218 HydrophobicContact CB-CE2 3.84Å; N211-Y218 PolarHBondContact OD1-OH 3.32Å; Y218-I220 PolarHBondContact O-N 2.65Å
219	T	95.8	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.7	177.9	55.7	0	0	0	0	112.1	M78 I140 P141 K142 G143 T144 F146 N205 L206 I223	M78-T219 WeakPolarHBondContact CE-O 3.38Å; I140-T219 HydrophobicContact CG2-CG2 4.01Å; P141-T219 PolarHBondContact O-OG1 2.81Å; K142-T219 WeakPolarHBondContact CA-OG1 3.31Å; G143-T219 PolarHBondContact N-O 2.79Å; G143-T219 PolarHBondContact N-OG1 2.9Å; G143-T219 VanDerWaalsContact N-OG1 3.12Å; T144-T219 WeakPolarHBondContact CB-OG1 3.45Å; T144-T219 PolarHBondContact N-OG1 2.91Å; T144-T219 PolarHBondContact O-N 2.95Å; F146-T219 HydrophobicContact CE2-CG2 4.01Å; N205-T219 CarbonylContact O-C 3.51Å; N205-T219 VanDerWaalsContact O-CA 3.26Å; N205-T219 WeakPolarHBondContact O-CA 3.21Å; L206-T219 HydrophobicContact CD2-CG2 3.59Å; T219-I223 HydrophobicContact CG2-CD1 3.8Å; T219-I223 HydrophobicContact CG2-CG1 4.32Å
220	I	93.6	Very high	94	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.097	22%	0.223	C	C	.	.	S	Bend	trans	-80.5	-20.3	178.1	55.9	166.3	0	0	0	113.1	M78 F86 K142 Q204 N205 A207 Y218	M78-I220 HydrophobicContact CB-CB 4.11Å; M78-I220 HydrophobicContact CB-CG2 3.96Å; M78-I220 HydrophobicContact CE-CG2 4.48Å; F86-I220 HydrophobicContact CE1-CG2 3.9Å; F86-I220 HydrophobicContact CZ-CG2 3.96Å; K142-I220 VanDerWaalsContact CE-O 3.26Å; K142-I220 WeakPolarHBondContact CE-O 3.34Å; Q204-I220 HydrophobicContact CB-CD1 4.44Å; Q204-I220 HydrophobicContact CG-CD1 3.96Å; N205-I220 WeakPolarHBondContact O-CG1 3.5Å; N205-I220 PolarHBondContact O-N 2.78Å; A207-I220 HydrophobicContact CB-CG2 3.61Å; Y218-I220 PolarHBondContact O-N 2.65Å
221	K	92.3	Very high	94	Very high	63 Å²	63	38.5 Å²	38.5	27%	0.274	22%	0.221	S	C	.	.	S	Bend	trans	-141.3	159.6	172.6	73.4	-164	-170.9	-147.4	0	109.9	R202 E203 Q204 N205	R202-K221 PolarHBondContact O-NZ 3.27Å; E203-K221 PolarHBondContact O-NZ 2.9Å; Q204-K221 VanDerWaalsContact O-CE 3.29Å; Q204-K221 WeakPolarHBondContact O-CE 3.42Å; Q204-K221 PolarHBondContact O-NZ 3.33Å; N205-K221 HydrophobicContact CB-CG 4.11Å
222	P	93.1	Very high	94.2	Very high	51 Å²	51	40.7 Å²	40.7	33%	0.331	23%	0.228	S	C	.	.			trans	-61.3	144.8	175.6	-19.1	31.7	0	0	0	111.4	Y139 K142 P224	Y139-P222 HydrophobicContact CE2-CB 3.77Å; Y139-P222 WeakPolarHBondContact OH-CB 3.29Å; K142-P222 HydrophobicContact CB-CG 4.13Å; P222-P224 WeakPolarHBondContact O-CD 3.47Å
223	I	94	Very high	94.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-112.7	103.7	175.4	-49.1	179	0	0	0	107.7	Y139 I140 N205 T219 Q227 L229	Y139-I223 WeakPolarHBondContact CA-O 3.29Å; I140-I223 HydrophobicContact CB-CB 4.09Å; I140-I223 HydrophobicContact CD1-CB 4.21Å; I140-I223 HydrophobicContact CD1-CD1 4.19Å; I140-I223 HydrophobicContact CD1-CG2 4.45Å; I140-I223 HydrophobicContact CG1-CB 4.4Å; I140-I223 PolarHBondContact N-O 3.32Å; I140-I223 PolarHBondContact O-N 3.21Å; N205-I223 HydrophobicContact CB-CD1 3.79Å; N205-I223 HydrophobicContact CB-CG1 3.78Å; N205-I223 VanDerWaalsContact CG-CD1 3.45Å; T219-I223 HydrophobicContact CG2-CD1 3.8Å; T219-I223 HydrophobicContact CG2-CG1 4.32Å; I223-Q227 HydrophobicContact CG2-CB 3.86Å; I223-L229 HydrophobicContact CD1-CD1 4.32Å; I223-L229 HydrophobicContact CD1-CG 4.2Å
224	P	92.6	Very high	94.4	Very high	57 Å²	57	33 Å²	33	37%	0.37	17%	0.174	S	C	.	.			trans	-50.7	158.8	166.6	-26.9	34.4	0	0	0	112.4	S136 P222 Q227	S136-P224 PolarHBondContact OG-O 3.45Å; P222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-Q227 HydrophobicContact CB-CG 4.29Å
225	A	92.4	Very high	94.2	Very high	44 Å²	44	32.1 Å²	32.1	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	151	174.2	0	0	0	0	0	111.8	S136 Q227	S136-A225 WeakPolarHBondContact OG-CA 3.37Å; A225-Q227 PolarHBondContact O-N 3.04Å
226	N	92.6	Very high	94	Very high	122 Å²	122	33.6 Å²	33.6	65%	0.652	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	22.5	179.5	-56.9	87.8	0	0	0	115.3	S136	S136-N226 WeakPolarHBondContact O-CA 3.47Å; S136-N226 PolarHBondContact O-N 3.18Å; S136-N226 PolarHBondContact OG-N 3.15Å
227	Q	93.8	Very high	93.7	Very high	92 Å²	92	32.5 Å²	32.5	43%	0.43	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-102	147.4	171.5	-68.9	-162.5	-7.2	0	0	112	V135 S136 I223 P224 A225	V135-Q227 CarbonylContact C-O 3.51Å; V135-Q227 VanDerWaalsContact CA-O 3.24Å; V135-Q227 WeakPolarHBondContact CA-O 3.22Å; S136-Q227 PolarHBondContact N-O 3.16Å; S136-Q227 PolarHBondContact OG-N 3.35Å; S136-Q227 PolarHBondContact OG-O 2.17Å; I223-Q227 HydrophobicContact CG2-CB 3.86Å; P224-Q227 HydrophobicContact CB-CG 4.29Å; A225-Q227 PolarHBondContact O-N 3.04Å
228	E	94.9	Very high	93.4	Very high	43 Å²	43	32.5 Å²	32.5	20%	0.201	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-76	138.1	-178.2	-167.6	161.4	-179.7	0	0	112.3	K122 V134 V135 N196 N205 L230	K122-E228 IonicContact NZ-OE1 3.68Å; K122-E228 IonicContact NZ-OE2 2.61Å; K122-E228 PolarHBondContact NZ-OE2 2.77Å; V134-E228 WeakPolarHBondContact O-CA 3.48Å; V135-E228 HydrophobicContact CG1-CB 4.18Å; N196-E228 PolarHBondContact ND2-OE1 3.28Å; N205-E228 PolarHBondContact ND2-O 3.47Å; E228-L230 HydrophobicContact CB-CG 4.47Å; E228-L230 HydrophobicContact CG-CD2 4.04Å; E228-L230 HydrophobicContact CG-CG 4.34Å
229	L	96.8	Very high	93.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-80.2	117.6	175.1	-85.1	63.1	0	0	0	108.4	L119 V134 I140 W191 V195 L206 I223	L119-L229 HydrophobicContact CD1-CD2 3.91Å; L119-L229 HydrophobicContact CD2-CD1 3.98Å; L119-L229 HydrophobicContact CD2-CD2 3.67Å; L119-L229 HydrophobicContact CG-CD2 4.47Å; V134-L229 HydrophobicContact CB-CB 4.48Å; V134-L229 HydrophobicContact CG1-CD2 4.11Å; V134-L229 PolarHBondContact O-N 3.13Å; I140-L229 HydrophobicContact CD1-CD1 4.17Å; W191-L229 HydrophobicContact CH2-CD2 4.47Å; W191-L229 HydrophobicContact CZ3-CD2 4.17Å; V195-L229 HydrophobicContact CG1-CB 4.18Å; L206-L229 HydrophobicContact CD1-CB 3.82Å; L206-L229 HydrophobicContact CD1-CD2 4.06Å; L206-L229 HydrophobicContact CD1-CG 3.98Å; I223-L229 HydrophobicContact CD1-CD1 4.32Å; I223-L229 HydrophobicContact CD1-CG 4.2Å
230	L	95.6	Very high	92.7	Very high	27 Å²	27	39.4 Å²	39.4	14%	0.141	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.3	-172.9	-64.4	176.1	0	0	0	109.6	N196 A198 E203 N205 L206 E228	N196-L230 HydrophobicContact CB-CD2 3.84Å; N196-L230 WeakPolarHBondContact O-CA 3.48Å; A198-L230 HydrophobicContact CB-CB 4.04Å; E203-L230 HydrophobicContact CB-CD1 3.91Å; E203-L230 HydrophobicContact CG-CD1 3.82Å; N205-L230 PolarHBondContact N-O 2.62Å; N205-L230 PolarHBondContact OD1-N 2.98Å; N205-L230 PolarHBondContact OD1-O 3.12Å; L206-L230 PolarHBondContact N-O 3.05Å; E228-L230 HydrophobicContact CB-CG 4.47Å; E228-L230 HydrophobicContact CG-CD2 4.04Å; E228-L230 HydrophobicContact CG-CG 4.34Å
231	V	95.4	Very high	92.4	Very high	6 Å²	6	39.3 Å²	39.3	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.8	-170.3	70.7	0	0	0	0	112.8	W169 V195 N196 P197 A198 L206 A208 F217	W169-V231 HydrophobicContact CH2-CG1 4.47Å; V195-V231 HydrophobicContact CG1-CB 3.91Å; V195-V231 HydrophobicContact CG1-CG1 3.8Å; N196-V231 PolarHBondContact O-N 3.49Å; P197-V231 CarbonylContact C-O 3.52Å; P197-V231 VanDerWaalsContact CA-O 3.28Å; P197-V231 WeakPolarHBondContact CA-O 3.4Å; A198-V231 PolarHBondContact N-O 3.45Å; L206-V231 HydrophobicContact CB-CB 3.92Å; L206-V231 HydrophobicContact CB-CG2 3.86Å; L206-V231 WeakPolarHBondContact O-CA 3.48Å; A208-V231 HydrophobicContact CB-CG2 3.84Å; F217-V231 HydrophobicContact CD1-CG2 3.94Å; F217-V231 HydrophobicContact CD2-CG2 4.36Å; F217-V231 HydrophobicContact CE1-CG2 4.11Å; F217-V231 HydrophobicContact CG-CG2 4.09Å; F217-V231 HydrophobicContact CZ-CG2 4.39Å
232	W	94.2	Very high	92	Very high	59 Å²	59	43.5 Å²	43.5	22%	0.223	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	166.6	161.7	-162.3	-104.9	0	0	0	109.5	Q204 L206 A207 A208 P244	Q204-W232 HydrophobicContact CG-CB 3.99Å; L206-W232 PolarHBondContact O-N 2.8Å; A207-W232 CarbonylContact C-O 3.54Å; A207-W232 VanDerWaalsContact CA-O 3.31Å; A207-W232 WeakPolarHBondContact CA-O 3.21Å; A208-W232 PolarHBondContact N-O 3.04Å; W232-P244 PolarHBondContact NE1-O 3.32Å
233	Y	93.4	Very high	91.5	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	146.2	174.7	-54.2	-78.6	0	0	0	111	W169 F237 L241 Y243 Y332	W169-Y233 AromaticContact CE3-CE1 3.9Å; W169-Y233 HydrophobicContact CE3-CE1 3.9Å; W169-Y233 HydrophobicContact CH2-CE1 4.31Å; W169-Y233 HydrophobicContact CZ3-CD1 4.04Å; W169-Y233 AromaticContact CZ3-CE1 3.47Å; W169-Y233 HydrophobicContact CZ3-CE1 3.47Å; W169-Y233 VanDerWaalsContact CZ3-CE1 3.47Å; Y233-F237 HydrophobicContact CD1-CD1 4.2Å; Y233-F237 HydrophobicContact CD1-CD2 4.14Å; Y233-F237 HydrophobicContact CD1-CE1 4.42Å; Y233-F237 HydrophobicContact CD1-CE2 4.37Å; Y233-F237 HydrophobicContact CD1-CG 4.04Å; Y233-L241 HydrophobicContact CD1-CD1 3.57Å; Y233-L241 HydrophobicContact CD2-CD1 4.09Å; Y233-L241 HydrophobicContact CE1-CD1 3.39Å; Y233-L241 HydrophobicContact CE2-CD1 3.93Å; Y233-L241 HydrophobicContact CG-CD1 3.92Å; Y233-Y243 AromaticContact CD2-CD2 3.87Å; Y233-Y243 HydrophobicContact CD2-CD2 3.87Å; Y233-Y243 AromaticContact CE2-CD2 3.53Å; Y233-Y243 HydrophobicContact CE2-CD2 3.53Å; Y233-Y243 AromaticContact CE2-CE2 3.72Å; Y233-Y243 HydrophobicContact CE2-CE2 3.72Å; Y233-Y332 WeakPolarHBondContact OH-CE2 3.34Å
234	C	92.8	Very high	90.8	Very high	4 Å²	4	47.3 Å²	47.3	3%	0.027	24%	0.237	C	C	.	.			trans	-67.2	166.5	161.4	68.4	0	0	0	0	110.3	E83 F86 A207 A208 D236 F237 A238	E83-C234 WeakPolarHBondContact CG-SG 3.3Å; F86-C234 HydrophobicContact CD2-CB 4.46Å; F86-C234 HydrophobicContact CE2-CB 3.89Å; A207-C234 HydrophobicContact CB-CB 4.42Å; A208-C234 PolarHBondContact O-N 2.89Å; A208-C234 PolarHBondContact O-SG 3.09Å; C234-D236 PolarHBondContact O-N 2.96Å; C234-F237 PolarHBondContact O-N 2.95Å; C234-A238 WeakPolarHBondContact O-CB 3.3Å; C234-A238 PolarHBondContact O-N 3.35Å
235	R	89.8	Confident	90.1	Very high	49 Å²	49	46.6 Å²	46.6	19%	0.185	23%	0.227	C	C	.	.	H	α-helix	trans	-47.9	-60.6	178.5	175.2	-170.6	63.1	-123.2	-22.2	111.9	L80 T82 F237 A238 E239 Y245	L80-R235 PolarHBondContact O-NH1 3.19Å; L80-R235 PolarHBondContact O-NH2 2.97Å; T82-R235 VanDerWaalsContact CG2-NH2 3.25Å; R235-F237 PolarHBondContact O-N 3.07Å; R235-F237 VanDerWaalsContact O-N 3.11Å; R235-A238 WeakPolarHBondContact O-CB 3.3Å; R235-A238 PolarHBondContact O-N 3.03Å; R235-E239 WeakPolarHBondContact CD-OE1 3.21Å; R235-E239 VanDerWaalsContact CG-CD 3.44Å; R235-E239 HydrophobicContact CG-CG 4.15Å; R235-E239 WeakPolarHBondContact CG-OE1 3.11Å; R235-E239 WeakPolarHBondContact O-CG 3.49Å; R235-E239 PolarHBondContact O-N 3.47Å; R235-Y245 HydrophobicContact CB-CD2 4.18Å; R235-Y245 HydrophobicContact CB-CE2 4.14Å; R235-Y245 HydrophobicContact CG-CD1 4.47Å; R235-Y245 HydrophobicContact CG-CD2 4.24Å; R235-Y245 HydrophobicContact CG-CE1 3.98Å; R235-Y245 HydrophobicContact CG-CE2 3.76Å
236	D	90.8	Very high	89	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-31.5	-170.1	-45.8	-7.9	0	0	0	112	T82 E83 C234 R240	T82-D236 WeakPolarHBondContact CA-OD2 3.3Å; T82-D236 VanDerWaalsContact CB-OD2 3.26Å; T82-D236 WeakPolarHBondContact CB-OD2 3.15Å; E83-D236 HydrophobicContact CG-CB 4.12Å; E83-D236 PolarHBondContact N-OD2 3.25Å; C234-D236 PolarHBondContact O-N 2.96Å; D236-R240 WeakPolarHBondContact O-CG 3.32Å; D236-R240 PolarHBondContact O-N 2.81Å; D236-R240 PolarHBondContact O-NH1 2.93Å
237	F	91.2	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-81	-40.1	176.6	-158.7	-12.6	0	0	0	111.5	W169 R170 Y172 Q210 I215 Y233 C234 R235 E239 R240 L241	W169-F237 HydrophobicContact CE3-CE2 4.41Å; W169-F237 HydrophobicContact CE3-CZ 4.38Å; R170-F237 VanDerWaalsContact O-CZ 3.3Å; R170-F237 WeakPolarHBondContact O-CZ 3.41Å; Y172-F237 HydrophobicContact CE2-CE1 4.22Å; Q210-F237 HydrophobicContact CB-CD2 4.45Å; Q210-F237 HydrophobicContact CB-CE2 4.3Å; I215-F237 HydrophobicContact CD1-CE2 3.83Å; I215-F237 HydrophobicContact CD1-CZ 3.75Å; I215-F237 HydrophobicContact CG1-CE2 3.99Å; I215-F237 HydrophobicContact CG1-CZ 4.34Å; Y233-F237 HydrophobicContact CD1-CD1 4.2Å; Y233-F237 HydrophobicContact CD1-CD2 4.14Å; Y233-F237 HydrophobicContact CD1-CE1 4.42Å; Y233-F237 HydrophobicContact CD1-CE2 4.37Å; Y233-F237 HydrophobicContact CD1-CG 4.04Å; C234-F237 PolarHBondContact O-N 2.95Å; R235-F237 PolarHBondContact O-N 3.07Å; R235-F237 VanDerWaalsContact O-N 3.11Å; F237-E239 VanDerWaalsContact C-N 3.31Å; F237-E239 PolarHBondContact O-N 2.85Å; F237-R240 PolarHBondContact O-N 3.07Å; F237-L241 HydrophobicContact CD1-CD1 3.91Å; F237-L241 HydrophobicContact CD1-CG 4.14Å; F237-L241 HydrophobicContact CE1-CD1 4.01Å; F237-L241 HydrophobicContact CE1-CG 4.3Å; F237-L241 WeakPolarHBondContact O-CG 3.45Å; F237-L241 PolarHBondContact O-N 2.89Å; F237-L241 VanDerWaalsContact O-N 3.14Å
238	A	90.4	Very high	86.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.3	-41.3	173.8	0	0	0	0	0	111.6	C234 R235 L241 H242 Y243 Y245	C234-A238 WeakPolarHBondContact O-CB 3.3Å; C234-A238 PolarHBondContact O-N 3.35Å; R235-A238 WeakPolarHBondContact O-CB 3.3Å; R235-A238 PolarHBondContact O-N 3.03Å; A238-L241 CarbonylContact O-C 3.47Å; A238-L241 PolarHBondContact O-N 3.31Å; A238-L241 VanDerWaalsContact O-N 3.07Å; A238-H242 PolarHBondContact O-N 2.99Å; A238-Y243 PolarHBondContact O-N 3.02Å; A238-Y245 HydrophobicContact CB-CD1 3.99Å; A238-Y245 HydrophobicContact CB-CG 4.27Å
239	E	88.7	Confident	84.5	Confident	88 Å²	88	45.1 Å²	45.1	41%	0.411	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-44.1	176.1	-73	174.3	173.3	0	0	111.7	R235 F237 L241 H242 Y245	R235-E239 WeakPolarHBondContact CD-OE1 3.21Å; R235-E239 VanDerWaalsContact CG-CD 3.44Å; R235-E239 HydrophobicContact CG-CG 4.15Å; R235-E239 WeakPolarHBondContact CG-OE1 3.11Å; R235-E239 WeakPolarHBondContact O-CG 3.49Å; R235-E239 PolarHBondContact O-N 3.47Å; F237-E239 VanDerWaalsContact C-N 3.31Å; F237-E239 PolarHBondContact O-N 2.85Å; E239-L241 PolarHBondContact O-N 3.43Å; E239-H242 PolarHBondContact O-N 3.36Å; E239-H242 VanDerWaalsContact O-N 3.12Å; E239-H242 PolarHBondContact O-ND1 2.88Å; E239-Y245 HydrophobicContact CG-CD1 4.4Å; E239-Y245 HydrophobicContact CG-CE1 3.77Å; E239-Y245 PolarHBondContact OE1-OH 3.42Å
240	R	88.6	Confident	82.9	Confident	59 Å²	59	48.7 Å²	48.7	22%	0.223	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-18.7	172.7	-71.1	-170.5	-52.2	-94.2	12.2	114.6	E83 Y172 D236 F237	E83-R240 VanDerWaalsContact CD-NH2 3.29Å; E83-R240 IonicContact OE1-CZ 3.46Å; E83-R240 IonicContact OE1-NH1 3.6Å; E83-R240 IonicContact OE1-NH2 2.84Å; E83-R240 PolarHBondContact OE1-NH2 2.94Å; E83-R240 IonicContact OE2-CZ 2.64Å; E83-R240 VanDerWaalsContact OE2-CZ 3.28Å; E83-R240 IonicContact OE2-NH1 2.72Å; E83-R240 PolarHBondContact OE2-NH1 3.41Å; E83-R240 IonicContact OE2-NH2 2.69Å; E83-R240 PolarHBondContact OE2-NH2 3.14Å; Y172-R240 HydrophobicContact CE1-CB 4.12Å; Y172-R240 HydrophobicContact CE2-CB 4.14Å; Y172-R240 PolarHBondContact OH-O 3.34Å; D236-R240 WeakPolarHBondContact O-CG 3.32Å; D236-R240 PolarHBondContact O-N 2.81Å; D236-R240 PolarHBondContact O-NH1 2.93Å; F237-R240 PolarHBondContact O-N 3.07Å
241	L	87	Confident	81	Confident	17 Å²	17	52.8 Å²	52.8	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-98.1	-10.3	175.2	-66.9	173.3	0	0	0	113.1	R170 Y233 F237 A238 E239 Y243	R170-L241 HydrophobicContact CG-CD2 4.33Å; Y233-L241 HydrophobicContact CD1-CD1 3.57Å; Y233-L241 HydrophobicContact CD2-CD1 4.09Å; Y233-L241 HydrophobicContact CE1-CD1 3.39Å; Y233-L241 HydrophobicContact CE2-CD1 3.93Å; Y233-L241 HydrophobicContact CG-CD1 3.92Å; F237-L241 HydrophobicContact CD1-CD1 3.91Å; F237-L241 HydrophobicContact CD1-CG 4.14Å; F237-L241 HydrophobicContact CE1-CD1 4.01Å; F237-L241 HydrophobicContact CE1-CG 4.3Å; F237-L241 WeakPolarHBondContact O-CG 3.45Å; F237-L241 PolarHBondContact O-N 2.89Å; F237-L241 VanDerWaalsContact O-N 3.14Å; A238-L241 CarbonylContact O-C 3.47Å; A238-L241 PolarHBondContact O-N 3.31Å; A238-L241 VanDerWaalsContact O-N 3.07Å; E239-L241 PolarHBondContact O-N 3.43Å; L241-Y243 VanDerWaalsContact C-N 3.27Å; L241-Y243 HydrophobicContact CB-CD1 4.49Å; L241-Y243 HydrophobicContact CB-CD2 3.74Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; L241-Y243 HydrophobicContact CB-CG 3.92Å; L241-Y243 HydrophobicContact CD1-CD2 3.82Å; L241-Y243 HydrophobicContact CD1-CE2 4.01Å; L241-Y243 HydrophobicContact CG-CD2 4.4Å
242	H	84	Confident	78.5	Confident	151 Å²	151	59 Å²	59	70%	0.699	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	44.3	-167	-49.9	-32.7	0	0	0	112.3	A238 E239	A238-H242 PolarHBondContact O-N 2.99Å; E239-H242 PolarHBondContact O-N 3.36Å; E239-H242 VanDerWaalsContact O-N 3.12Å; E239-H242 PolarHBondContact O-ND1 2.88Å
243	Y	82.9	Confident	76.4	Confident	54 Å²	54	59.8 Å²	59.8	21%	0.212	31%	0.314	C	S	.	.			trans	-107.3	149.8	175.3	-74.8	-15	0	0	0	111.2	Y233 A238 L241 V330	Y233-Y243 AromaticContact CD2-CD2 3.87Å; Y233-Y243 HydrophobicContact CD2-CD2 3.87Å; Y233-Y243 AromaticContact CE2-CD2 3.53Å; Y233-Y243 HydrophobicContact CE2-CD2 3.53Å; Y233-Y243 AromaticContact CE2-CE2 3.72Å; Y233-Y243 HydrophobicContact CE2-CE2 3.72Å; A238-Y243 PolarHBondContact O-N 3.02Å; L241-Y243 VanDerWaalsContact C-N 3.27Å; L241-Y243 HydrophobicContact CB-CD1 4.49Å; L241-Y243 HydrophobicContact CB-CD2 3.74Å; L241-Y243 HydrophobicContact CB-CE2 4.2Å; L241-Y243 HydrophobicContact CB-CG 3.92Å; L241-Y243 HydrophobicContact CD1-CD2 3.82Å; L241-Y243 HydrophobicContact CD1-CE2 4.01Å; L241-Y243 HydrophobicContact CG-CD2 4.4Å; Y243-V330 PolarHBondContact OH-O 3.28Å
244	P	79.4	Confident	74.4	Confident	76 Å²	76	63.6 Å²	63.6	49%	0.494	34%	0.335	S	S	.	.			trans	-67.4	154.9	174.8	30.3	-36.3	0	0	0	111.5	W232 E248	W232-P244 PolarHBondContact NE1-O 3.32Å; P244-E248 WeakPolarHBondContact CA-OE2 3.43Å; P244-E248 WeakPolarHBondContact CB-OE2 3.39Å
245	Y	77.5	Confident	72	Confident	42 Å²	42	67.1 Å²	67.1	17%	0.165	36%	0.356	C	S	.	.			trans	-142.5	159.3	-177.7	62.3	-97.9	0	0	0	113.7	L80 R235 A238 E239 G247 E248	L80-Y245 HydrophobicContact CD2-CE2 4.28Å; R235-Y245 HydrophobicContact CB-CD2 4.18Å; R235-Y245 HydrophobicContact CB-CE2 4.14Å; R235-Y245 HydrophobicContact CG-CD1 4.47Å; R235-Y245 HydrophobicContact CG-CD2 4.24Å; R235-Y245 HydrophobicContact CG-CE1 3.98Å; R235-Y245 HydrophobicContact CG-CE2 3.76Å; A238-Y245 HydrophobicContact CB-CD1 3.99Å; A238-Y245 HydrophobicContact CB-CG 4.27Å; E239-Y245 HydrophobicContact CG-CD1 4.4Å; E239-Y245 HydrophobicContact CG-CE1 3.77Å; E239-Y245 PolarHBondContact OE1-OH 3.42Å; Y245-G247 PolarHBondContact O-N 2.92Å; Y245-E248 HydrophobicContact CD1-CB 4.28Å; Y245-E248 HydrophobicContact CD2-CB 4.1Å; Y245-E248 HydrophobicContact CE1-CB 4.22Å; Y245-E248 HydrophobicContact CE1-CG 4.19Å; Y245-E248 HydrophobicContact CE2-CB 4Å; Y245-E248 HydrophobicContact CG-CB 4.24Å; Y245-E248 PolarHBondContact N-OE2 3.21Å; Y245-E248 WeakPolarHBondContact O-CB 3.4Å; Y245-E248 PolarHBondContact O-N 3.21Å; Y245-E248 VanDerWaalsContact O-N 3.1Å
246	P	69.1	Low	69.8	Low	17 Å²	17	71.1 Å²	71.1	11%	0.11	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	119.4	175.9	-18.6	28	0	0	0	111.8	T79 A201	T79-P246 HydrophobicContact CG2-CB 4.07Å; A201-P246 HydrophobicContact CB-CB 3.81Å; A201-P246 HydrophobicContact CB-CG 4.16Å
247	G	63.7	Low	67.3	Low	52 Å²	52	75.4 Å²	75.4	54%	0.536	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	9.3	-178.9	0	0	0	0	0	114.9	Y245 L249	Y245-G247 PolarHBondContact O-N 2.92Å; G247-L249 PolarHBondContact O-N 3.33Å
248	E	68.6	Low	64.7	Low	96 Å²	96	83 Å²	83	45%	0.449	44%	0.44	S	S	.	.			trans	-52.1	128.9	169.2	-175.8	179.1	-172.1	0	0	111.1	P244 Y245 T250	P244-E248 WeakPolarHBondContact CA-OE2 3.43Å; P244-E248 WeakPolarHBondContact CB-OE2 3.39Å; Y245-E248 HydrophobicContact CD1-CB 4.28Å; Y245-E248 HydrophobicContact CD2-CB 4.1Å; Y245-E248 HydrophobicContact CE1-CB 4.22Å; Y245-E248 HydrophobicContact CE1-CG 4.19Å; Y245-E248 HydrophobicContact CE2-CB 4Å; Y245-E248 HydrophobicContact CG-CB 4.24Å; Y245-E248 PolarHBondContact N-OE2 3.21Å; Y245-E248 WeakPolarHBondContact O-CB 3.4Å; Y245-E248 PolarHBondContact O-N 3.21Å; Y245-E248 VanDerWaalsContact O-N 3.1Å; E248-T250 PolarHBondContact O-N 3.42Å; E248-T250 VanDerWaalsContact O-N 3.11Å
249	L	55.1	Low	61.7	Low	106 Å²	106	86.9 Å²	86.9	56%	0.555	47%	0.467	S	S	*	.			trans	-74.3	104.6	-177.5	-70	172.9	0	0	0	110.3	G247 N253 L254	G247-L249 PolarHBondContact O-N 3.33Å; L249-N253 HydrophobicContact CD2-CB 4.01Å; L249-L254 HydrophobicContact CB-CD1 4.36Å; L249-L254 HydrophobicContact CB-CG 4.13Å; L249-L254 HydrophobicContact CD1-CD2 4.4Å
250	T	63.9	Low	58.8	Low	75 Å²	75	90 Å²	90	46%	0.46	49%	0.487	S	S	.	.			trans	-58.1	155.7	171.8	72.6	0	0	0	0	111.1	E248 M252 N253 L254	E248-T250 PolarHBondContact O-N 3.42Å; E248-T250 VanDerWaalsContact O-N 3.11Å; T250-M252 PolarHBondContact O-N 3.36Å; T250-N253 WeakPolarHBondContact O-CA 3.34Å; T250-N253 WeakPolarHBondContact O-CB 3.28Å; T250-N253 PolarHBondContact O-N 3.2Å; T250-N253 PolarHBondContact OG1-N 3.1Å; T250-L254 PolarHBondContact O-N 3.24Å; T250-L254 VanDerWaalsContact O-N 3.15Å
251	V	53.9	Low	56	Low	113 Å²	113	92.8 Å²	92.8	69%	0.685	51%	0.513	S	S	*	.	H	α-helix	trans	-55.7	-28.3	176.7	-175.8	0	0	0	0	112.1	T255	V251-T255 WeakPolarHBondContact O-CG2 3.45Å; V251-T255 PolarHBondContact O-N 3.29Å; V251-T255 VanDerWaalsContact O-N 3.15Å; V251-T255 PolarHBondContact O-OG1 2.58Å
252	M	42.7	Very low	53.5	Low	137 Å²	137	102 Å²	102	68%	0.675	55%	0.552	S	S	*	*	H	α-helix	trans	-68.3	-33.7	173.6	-66.4	179	172.9	0	0	113	T250 T255 Q256	T250-M252 PolarHBondContact O-N 3.36Å; M252-T255 PolarHBondContact O-OG1 2.84Å; M252-Q256 WeakPolarHBondContact O-CB 3.31Å; M252-Q256 VanDerWaalsContact O-CG 3.27Å; M252-Q256 WeakPolarHBondContact O-CG 3.15Å; M252-Q256 PolarHBondContact O-N 3.03Å; M252-Q256 PolarHBondContact O-NE2 3.23Å
253	N	52	Low	51.1	Low	74 Å²	74	103.8 Å²	103.8	40%	0.396	56%	0.56	S	S	.	*	H	α-helix	trans	-75.6	-41.5	177.5	-64.8	-5.2	0	0	0	111.1	L249 T250 T255 T257	L249-N253 HydrophobicContact CD2-CB 4.01Å; T250-N253 WeakPolarHBondContact O-CA 3.34Å; T250-N253 WeakPolarHBondContact O-CB 3.28Å; T250-N253 PolarHBondContact O-N 3.2Å; T250-N253 PolarHBondContact OG1-N 3.1Å; N253-T255 VanDerWaalsContact C-N 3.35Å; N253-T255 PolarHBondContact O-N 3.28Å; N253-T257 PolarHBondContact O-OG1 2.69Å
254	L	49.9	Very low	48.8	Very low	94 Å²	94	112.1 Å²	112.1	49%	0.492	59%	0.593	S	S	.	*	H	α-helix	trans	-62.1	-39.3	177.6	-76.1	156.1	0	0	0	112.6	L249 T250 T257	L249-L254 HydrophobicContact CB-CD1 4.36Å; L249-L254 HydrophobicContact CB-CG 4.13Å; L249-L254 HydrophobicContact CD1-CD2 4.4Å; T250-L254 PolarHBondContact O-N 3.24Å; T250-L254 VanDerWaalsContact O-N 3.15Å; L254-T257 PolarHBondContact O-OG1 3.46Å
255	T	43.7	Very low	46.7	Very low	79 Å²	79	112.7 Å²	112.7	49%	0.485	60%	0.599	S	S	.	*	H	α-helix	trans	-77.5	-35.6	180	46.1	0	0	0	0	113.4	V251 M252 N253 T257 E258 S259	V251-T255 WeakPolarHBondContact O-CG2 3.45Å; V251-T255 PolarHBondContact O-N 3.29Å; V251-T255 VanDerWaalsContact O-N 3.15Å; V251-T255 PolarHBondContact O-OG1 2.58Å; M252-T255 PolarHBondContact O-OG1 2.84Å; N253-T255 VanDerWaalsContact C-N 3.35Å; N253-T255 PolarHBondContact O-N 3.28Å; T255-T257 PolarHBondContact O-N 3.39Å; T255-E258 PolarHBondContact O-N 2.79Å; T255-E258 VanDerWaalsContact O-N 3.1Å; T255-S259 PolarHBondContact O-N 2.78Å; T255-S259 PolarHBondContact O-OG 2.98Å
256	Q	43.3	Very low	44.6	Very low	133 Å²	133	115.4 Å²	115.4	62%	0.621	62%	0.624	S	S	*	*	H	α-helix	trans	-64	-24.6	178.8	-82.8	173.3	84.8	0	0	113.7	M252 E258	M252-Q256 WeakPolarHBondContact O-CB 3.31Å; M252-Q256 VanDerWaalsContact O-CG 3.27Å; M252-Q256 WeakPolarHBondContact O-CG 3.15Å; M252-Q256 PolarHBondContact O-N 3.03Å; M252-Q256 PolarHBondContact O-NE2 3.23Å; Q256-E258 VanDerWaalsContact C-N 3.26Å; Q256-E258 PolarHBondContact O-N 2.96Å
257	T	37.6	Very low	43	Very low	120 Å²	120	121 Å²	121	74%	0.736	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-10.4	174.6	33.2	0	0	0	0	114.9	N253 L254 T255	N253-T257 PolarHBondContact O-OG1 2.69Å; L254-T257 PolarHBondContact O-OG1 3.46Å; T255-T257 PolarHBondContact O-N 3.39Å
258	E	36.4	Very low	41.8	Very low	160 Å²	160	126.3 Å²	126.3	75%	0.748	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	-8.8	-178.4	-58	-158.8	129.4	0	0	114.1	T255 Q256	T255-E258 PolarHBondContact O-N 2.79Å; T255-E258 VanDerWaalsContact O-N 3.1Å; Q256-E258 VanDerWaalsContact C-N 3.26Å; Q256-E258 PolarHBondContact O-N 2.96Å
259	S	27.6	Very low	40.1	Very low	82 Å²	82	129 Å²	129	57%	0.573	67%	0.674	S	S	*	*			trans	-108.7	64.3	-169.2	69.8	0	0	0	0	114.9	T255	T255-S259 PolarHBondContact O-N 2.78Å; T255-S259 PolarHBondContact O-OG 2.98Å
260	N	27.8	Very low	39.1	Very low	154 Å²	154	130.7 Å²	130.7	82%	0.824	68%	0.679	S	S	*	*			trans	-152.7	90.5	169.6	-149.5	-15.2	0	0	0	116.6
261	P	30.3	Very low	37.7	Very low	117 Å²	117	135.2 Å²	135.2	76%	0.76	70%	0.7	S	S	*	*			trans	-137.8	124.2	154.7	34.8	-18.9	0	0	0	113.9
262	K	34.8	Very low	36.5	Very low	211 Å²	211	138.9 Å²	138.9	92%	0.917	70%	0.703	S	S	*	*			trans	-138.5	130.7	157.2	-77.1	-168.5	175.7	178.9	0	110.8
263	Q	33.9	Very low	36.2	Very low	188 Å²	188	137 Å²	137	88%	0.879	70%	0.701	S	S	*	*			trans	-104.7	155.8	179.6	-58.7	172.5	-77.3	0	0	111.5
264	Y	33.7	Very low	35.4	Very low	228 Å²	228	143.1 Å²	143.1	89%	0.894	72%	0.724	S	S	*	*			trans	-160.1	136.6	142.8	-113.9	-95	0	0	0	105.4
265	S	34.9	Very low	34.3	Very low	88 Å²	88	143.7 Å²	143.7	62%	0.615	74%	0.736	S	S	*	*			cis	-171.6	149.5	-10.8	47.8	0	0	0	0	110
266	S	33.1	Very low	33.8	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	75%	0.749	S	S	*	*			trans	62.1	146.7	164.3	-78.9	0	0	0	0	118.3
267	E	37	Very low	33.2	Very low	135 Å²	135	145.4 Å²	145.4	63%	0.631	76%	0.757	S	S	*	*			cis	-161.2	164	-8.6	-127.1	167	92.2	0	0	112.5
268	K	38.7	Very low	32.8	Very low	163 Å²	163	148 Å²	148	71%	0.709	76%	0.759	S	S	*	*			trans	65.5	107	155.9	-72.5	160.2	174.9	134.5	0	120
269	N	32.5	Very low	32.5	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	76%	0.758	S	S	*	*				61	146	125	-67.6	31.3	0	0	0	121.3
270	E	32.9	Very low	32.5	Very low	142 Å²	142	153.5 Å²	153.5	66%	0.664	77%	0.767	S	S	*	*			cis	-169.1	125.4	-17.6	-117.3	-73.6	91.1	0	0	106
271	L	36.1	Very low	32.7	Very low	171 Å²	171	154.9 Å²	154.9	90%	0.895	76%	0.762	S	S	*	*			trans	169.6	100	153.8	-97.1	157.7	0	0	0	111.3
272	Y	28.4	Very low	32.6	Very low	190 Å²	190	155.1 Å²	155.1	75%	0.745	77%	0.766	S	S	*	*			trans	-96.6	-170.5	174.1	-105.1	-92.5	0	0	0	109.7
273	P	36.3	Very low	32.1	Very low	97 Å²	97	151.3 Å²	151.3	63%	0.63	76%	0.76	S	S	*	*			cis	-134.9	160.1	-13.7	28.4	-7.3	0	0	0	115.7
274	K	34.4	Very low	31.8	Very low	202 Å²	202	151.6 Å²	151.6	88%	0.878	76%	0.758	S	S	*	*				166.8	117.8	103.4	-88	-171.2	-178.6	176.9	0	112
275	S	26	Very low	31.9	Very low	107 Å²	107	149 Å²	149	75%	0.748	75%	0.754	S	S	*	*			trans	-93.8	173.4	171.4	42.6	0	0	0	0	112.4
276	V	35.2	Very low	31.9	Very low	125 Å²	125	151.3 Å²	151.3	76%	0.758	76%	0.758	S	S	*	*			trans	-46.1	171.3	175.9	-137.9	0	0	0	0	114.8
277	P	30.7	Very low	31.7	Very low	122 Å²	122	153.6 Å²	153.6	79%	0.792	76%	0.762	S	S	*	*				-135.6	156.1	103.4	38.4	-29.7	0	0	0	115.2
278	K	28	Very low	31.7	Very low	176 Å²	176	156 Å²	156	77%	0.765	77%	0.771	S	S	*	*			trans	-60.5	162	160.4	-59.5	174.9	-179.5	176.7	0	109.5
279	R	30.2	Very low	31.3	Very low	197 Å²	197	155.2 Å²	155.2	74%	0.743	77%	0.773	S	S	*	*			trans	-128.1	105.1	163.8	-166.2	167.8	-169.5	165.4	3.7	111.2	Y281	R279-Y281 HydrophobicContact CG-CD2 4.16Å; R279-Y281 HydrophobicContact CG-CE2 3.72Å; R279-Y281 VanDerWaalsContact CZ-OH 3.3Å; R279-Y281 PolarHBondContact NE-OH 3.25Å
280	E	27.4	Very low	31.3	Very low	160 Å²	160	154.3 Å²	154.3	75%	0.748	77%	0.768	S	S	*	*			trans	-69.1	153.2	162.9	-67	151.4	179.9	0	0	109.6
281	Y	31.5	Very low	31.2	Very low	183 Å²	183	151.8 Å²	151.8	72%	0.718	77%	0.767	S	S	*	*			trans	-129.3	103.1	167.6	-87.1	-84.6	0	0	0	108.9	R279	R279-Y281 HydrophobicContact CG-CD2 4.16Å; R279-Y281 HydrophobicContact CG-CE2 3.72Å; R279-Y281 VanDerWaalsContact CZ-OH 3.3Å; R279-Y281 PolarHBondContact NE-OH 3.25Å
282	S	28.7	Very low	31.1	Very low	121 Å²	121	150.8 Å²	150.8	85%	0.846	76%	0.762	S	S	*	*			trans	-96.9	154	171.4	-171.1	0	0	0	0	110.5	K284	S282-K284 PolarHBondContact O-N 3.4Å
283	V	24.7	Very low	31.6	Very low	131 Å²	131	146.7 Å²	146.7	79%	0.794	76%	0.759	S	S	*	*	S	Bend	trans	-93.8	101.1	-165.2	-178.6	0	0	0	0	111.7
284	K	28	Very low	31.5	Very low	195 Å²	195	147.2 Å²	147.2	85%	0.848	77%	0.765	S	S	*	*			trans	167.4	87.9	141.2	-93.5	159.7	-178	174.2	0	112.7	S282	S282-K284 PolarHBondContact O-N 3.4Å
285	E	35.2	Very low	31.9	Very low	172 Å²	172	147.4 Å²	147.4	80%	0.804	77%	0.766	S	S	*	*			trans	-141.9	130.7	155.6	-79.3	-159.2	124.7	0	0	112.1
286	I	33.9	Very low	32.2	Very low	137 Å²	137	153.8 Å²	153.8	70%	0.703	77%	0.773	S	S	*	*			trans	50.8	92.6	140.4	-50.8	165.1	0	0	0	116
287	L	30.5	Very low	32.3	Very low	148 Å²	148	155.4 Å²	155.4	78%	0.775	77%	0.77	S	S	*	*				54.5	111.1	73.5	-66.2	173.9	0	0	0	116.7
288	K	35.6	Very low	32.5	Very low	186 Å²	186	155.7 Å²	155.7	81%	0.809	77%	0.765	S	S	*	*			trans	78.3	137.7	157.8	-57.2	173.6	-179.3	178.3	0	118.7
289	L	30.6	Very low	32.8	Very low	145 Å²	145	151.8 Å²	151.8	76%	0.759	76%	0.759	S	S	*	*			trans	22.5	148.2	143.3	-66	91.5	0	0	0	120.1
290	D	32.2	Very low	32.8	Very low	133 Å²	133	152.4 Å²	152.4	71%	0.711	76%	0.763	S	S	*	*			cis	-155	-171.3	28	-140	-39.3	0	0	0	115.5
291	S	32.7	Very low	33.1	Very low	90 Å²	90	155 Å²	155	63%	0.629	77%	0.766	S	S	*	*			trans	-86.6	-174.7	-157.2	-51.8	0	0	0	0	117.5
292	N	33.3	Very low	33.3	Very low	149 Å²	149	150.3 Å²	150.3	80%	0.797	76%	0.76	S	S	*	*			trans	100.2	153.8	152.6	-65.7	-48.8	0	0	0	119.6
293	P	39.3	Very low	33.4	Very low	105 Å²	105	151.2 Å²	151.2	68%	0.682	76%	0.756	S	S	*	*			cis	-144.9	-178.3	-44.6	40.9	-24.9	0	0	0	115.9
294	S	33.9	Very low	34	Very low	107 Å²	107	152.9 Å²	152.9	75%	0.748	76%	0.759	S	S	*	*			trans	107.4	119.2	139	80.4	0	0	0	0	121.2
295	K	41.7	Very low	34.2	Very low	207 Å²	207	148.8 Å²	148.8	90%	0.9	75%	0.754	S	S	*	*				-169.3	131.1	126.2	-103.5	160.8	-173.1	171	0	112.1
296	R	33	Very low	34.1	Very low	240 Å²	240	146.5 Å²	146.5	91%	0.906	75%	0.754	S	S	*	*			trans	-3.2	146	151.1	-100.3	177.1	-178	173.2	1.6	117.8
297	K	36.6	Very low	34.1	Very low	160 Å²	160	150.4 Å²	150.4	70%	0.696	76%	0.762	S	S	*	*			cis	-170.1	145.6	22.6	179.7	173.6	175.3	-174	0	111.7
298	D	35.5	Very low	34.1	Very low	128 Å²	128	148.4 Å²	148.4	68%	0.684	76%	0.756	S	S	*	*			trans	37.7	146.8	154.5	-45.7	-8.7	0	0	0	120.8
299	S	33.8	Very low	34.1	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	75%	0.747	S	S	*	*			cis	-168.6	165.5	5.9	-128.2	0	0	0	0	112.9
300	Y	31.7	Very low	34.4	Very low	211 Å²	211	144.3 Å²	144.3	83%	0.827	75%	0.746	S	S	*	*			trans	61.3	123.9	174.3	-66.2	-77.9	0	0	0	117.2
301	R	32.5	Very low	34.6	Very low	214 Å²	214	145.2 Å²	145.2	81%	0.808	74%	0.743	S	S	*	*			cis	75.1	131.4	38.9	-132.8	-159.5	-166.2	-165.2	5.4	111.9
302	S	36.5	Very low	34.8	Very low	85 Å²	85	147.4 Å²	147.4	59%	0.594	75%	0.748	S	S	*	*			cis	-157.3	147.4	25.2	-38.7	0	0	0	0	115.8
303	N	30.1	Very low	34.9	Very low	140 Å²	140	147.4 Å²	147.4	75%	0.749	75%	0.745	S	S	*	*			trans	50.4	131.2	136.1	-54.1	-4.3	0	0	0	124.5
304	I	37.1	Very low	34.7	Very low	166 Å²	166	149 Å²	149	85%	0.851	75%	0.748	S	S	*	*				176.1	96.4	120.1	-84.7	151.5	0	0	0	105.7
305	S	32.1	Very low	34.8	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	75%	0.747	S	S	*	*				87.2	110.5	76.6	-171.3	0	0	0	0	114.6
306	P	34.3	Very low	34.4	Very low	123 Å²	123	145.7 Å²	145.7	80%	0.799	74%	0.741	S	S	*	*			trans	-114.8	166.9	173.6	40.3	-31.3	0	0	0	114.6
307	Y	33.4	Very low	34.3	Very low	220 Å²	220	144.9 Å²	144.9	86%	0.863	74%	0.738	S	S	*	*			trans	-153.4	116	174.3	-137.1	-111.4	0	0	0	107.1
308	T	30.4	Very low	34.3	Very low	106 Å²	106	147.1 Å²	147.1	65%	0.65	75%	0.747	S	S	*	*				53.7	136.7	84	58.5	0	0	0	0	114.4
309	S	34.9	Very low	33.9	Very low	90 Å²	90	149.2 Å²	149.2	63%	0.629	76%	0.759	S	S	*	*			cis	-169.8	154.2	15.7	38.9	0	0	0	0	113.2
310	E	36.5	Very low	33.6	Very low	154 Å²	154	148.4 Å²	148.4	72%	0.72	77%	0.765	S	S	*	*			trans	63.5	160.3	149.4	-69.3	-178.5	111.9	0	0	118.6
311	K	36.7	Very low	33.7	Very low	152 Å²	152	143.5 Å²	143.5	66%	0.661	76%	0.761	S	S	*	*			cis	-158	179.8	-2.4	-133.6	174.9	-178.4	129.6	0	111.9
312	D	37.5	Very low	33.9	Very low	137 Å²	137	138.7 Å²	138.7	73%	0.733	76%	0.758	S	S	*	*			trans	67.8	156.9	157	-54	-25.7	0	0	0	120.3
313	M	35.7	Very low	33.5	Very low	148 Å²	148	142.5 Å²	142.5	73%	0.729	77%	0.772	S	S	*	*			cis	-163	163.9	-47.3	-102.4	-108	60	0	0	110.1
314	D	35.3	Very low	33.4	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	77%	0.769	S	S	*	*			trans	64.9	145.8	167.5	-69.1	-48.1	0	0	0	120.5
315	G	36.6	Very low	33.2	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	76%	0.761	S	S	*	*			trans	166.3	10.8	-179.5	0	0	0	0	0	121.5
316	F	33.3	Very low	33	Very low	173 Å²	173	144.2 Å²	144.2	76%	0.759	77%	0.767	S	S	*	*			trans	39.3	113.4	164.7	-80.8	-97.7	0	0	0	122
317	R	30.4	Very low	32.6	Very low	223 Å²	223	146.2 Å²	146.2	84%	0.842	76%	0.76	S	S	*	*			trans	48.6	104.4	140	-59.3	-178.6	-175	-129	5.7	119.6
318	K	35.3	Very low	32.4	Very low	206 Å²	206	138.7 Å²	138.7	90%	0.896	74%	0.738	S	S	*	*				-162	153.7	119.5	-112.4	164.1	-176.3	174.6	0	111.9	G320	K318-G320 PolarHBondContact O-N 2.91Å
319	N	27	Very low	32.3	Very low	173 Å²	173	144.8 Å²	144.8	93%	0.925	75%	0.749	S	S	*	*			trans	-77	121.6	-177.6	-58.9	-11.6	0	0	0	110.1
320	G	29.3	Very low	32.1	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	73%	0.726	S	S	*	*			trans	-108.8	119.2	168	0	0	0	0	0	110.2	K318	K318-G320 PolarHBondContact O-N 2.91Å
321	S	33	Very low	31.7	Very low	108 Å²	108	139.2 Å²	139.2	76%	0.755	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-70.2	148	169.5	-178.7	0	0	0	0	109.6
322	P	36	Very low	31.5	Very low	114 Å²	114	134.4 Å²	134.4	74%	0.74	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-57	145.5	169.3	25.3	-35.4	0	0	0	111.2	M324	P322-M324 PolarHBondContact O-N 3.42Å
323	D	28.3	Very low	31	Very low	165 Å²	165	132.5 Å²	132.5	88%	0.882	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.6	126	-178.9	-81.5	-70.2	0	0	0	112.3
324	M	27.4	Very low	30.8	Very low	142 Å²	142	132.3 Å²	132.3	70%	0.7	70%	0.695	S	S	*	*			trans	-108.7	108.6	173.4	-166.9	71.9	-176.2	0	0	108.5	P322 F326 Y327	P322-M324 PolarHBondContact O-N 3.42Å; M324-F326 PolarHBondContact O-N 3.42Å; M324-Y327 HydrophobicContact CE-CE2 4.12Å
325	P	33.9	Very low	30.5	Very low	103 Å²	103	132.9 Å²	132.9	67%	0.669	69%	0.687	S	S	*	*			trans	-57.7	129.4	-179.5	-26.5	35.6	0	0	0	111.9	Y327	P325-Y327 PolarHBondContact O-N 2.94Å
326	F	27.6	Very low	30	Very low	205 Å²	205	133.3 Å²	133.3	90%	0.899	68%	0.683	S	S	*	*			trans	-59	122	-179.2	-99.6	-113.2	0	0	0	111.3	M324 P328	M324-F326 PolarHBondContact O-N 3.42Å; F326-P328 WeakPolarHBondContact O-CD 3.35Å
327	Y	25.2	Very low	29.9	Very low	166 Å²	166	129.8 Å²	129.8	65%	0.651	68%	0.678	S	S	*	*			trans	-78.9	112.1	169.4	-78.2	-94.1	0	0	0	110.8	M324 P325 R329	M324-Y327 HydrophobicContact CE-CE2 4.12Å; P325-Y327 PolarHBondContact O-N 2.94Å; Y327-R329 PolarHBondContact O-N 2.85Å; Y327-R329 VanDerWaalsContact O-N 3.1Å
328	P	30.1	Very low	30	Very low	61 Å²	61	124.8 Å²	124.8	40%	0.396	67%	0.667	S	S	.	*			trans	-73.8	103	165	30.8	-32.8	0	0	0	109	R170 F326 V330	R170-P328 PolarHBondContact NH2-O 2.85Å; F326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-V330 PolarHBondContact O-N 2.93Å
329	R	27.5	Very low	30	Very low	234 Å²	234	120.2 Å²	120.2	88%	0.883	66%	0.658	S	S	*	*			trans	-56.1	106.4	161.3	-80.5	-178.7	171.3	160.9	-3.4	108.5	Y327 V331	Y327-R329 PolarHBondContact O-N 2.85Å; Y327-R329 VanDerWaalsContact O-N 3.1Å; R329-V331 HydrophobicContact CB-CG2 4.17Å
330	V	30.7	Very low	30.5	Very low	24 Å²	24	119.5 Å²	119.5	15%	0.145	65%	0.649	C	S	.	*			trans	-73.4	134.7	152.3	179.1	0	0	0	0	105.9	Y243 P328	Y243-V330 PolarHBondContact OH-O 3.28Å; P328-V330 PolarHBondContact O-N 2.93Å
331	V	28.8	Very low	30.9	Very low	103 Å²	103	122.1 Å²	122.1	62%	0.624	65%	0.646	S	S	*	*			trans	-128.6	112	176.3	179.4	0	0	0	0	106.3	R329 P333	R329-V331 HydrophobicContact CB-CG2 4.17Å; V331-P333 VanDerWaalsContact O-CD 3.3Å; V331-P333 WeakPolarHBondContact O-CD 3.34Å
332	Y	31.8	Very low	31.1	Very low	52 Å²	52	124.5 Å²	124.5	20%	0.204	64%	0.643	C	S	.	*	P	Polyproline II helix	trans	-68.9	119.1	160	-82.8	-84.6	0	0	0	107.2	K166 P197 Y233 I334	K166-Y332 WeakPolarHBondContact O-CE1 3.47Å; K166-Y332 PolarHBondContact O-OH 3.3Å; P197-Y332 HydrophobicContact CG-CD1 4.15Å; Y233-Y332 WeakPolarHBondContact OH-CE2 3.34Å; Y332-I334 PolarHBondContact O-N 2.64Å; Y332-I334 VanDerWaalsContact O-N 3.16Å
333	P	28.9	Very low	31.4	Very low	96 Å²	96	126.8 Å²	126.8	62%	0.623	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-64.1	120.8	176.9	-19.3	33	0	0	0	108.8	V331 R335	V331-P333 VanDerWaalsContact O-CD 3.3Å; V331-P333 WeakPolarHBondContact O-CD 3.34Å; P333-R335 PolarHBondContact O-N 3.22Å; P333-R335 VanDerWaalsContact O-N 3.15Å
334	I	29.7	Very low	31.8	Very low	144 Å²	144	128.5 Å²	128.5	74%	0.738	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-59.8	120.3	166.9	-60.5	174.3	0	0	0	106.1	Y332 A336	Y332-I334 PolarHBondContact O-N 2.64Å; Y332-I334 VanDerWaalsContact O-N 3.16Å; I334-A336 PolarHBondContact O-N 2.65Å
335	R	28.8	Very low	32.1	Very low	151 Å²	151	125.7 Å²	125.7	57%	0.57	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-64.1	122.9	178.3	-151.8	175.5	-162.8	150.6	3.8	106.7	P333	P333-R335 PolarHBondContact O-N 3.22Å; P333-R335 VanDerWaalsContact O-N 3.15Å
336	A	27.9	Very low	32.2	Very low	82 Å²	82	125.9 Å²	125.9	68%	0.678	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-57.1	132.5	-179.6	0	0	0	0	0	109.4	I334 L338	I334-A336 PolarHBondContact O-N 2.65Å; A336-L338 PolarHBondContact O-N 3.43Å
337	P	29.6	Very low	32.5	Very low	99 Å²	99	124.5 Å²	124.5	64%	0.643	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-56.4	135.6	178.2	-25.6	34.4	0	0	0	111
338	L	33.1	Very low	32.8	Very low	118 Å²	118	120.8 Å²	120.8	62%	0.618	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-69.8	150.1	169.2	-68.4	173.5	0	0	0	109.1	A336 E340	A336-L338 PolarHBondContact O-N 3.43Å; L338-E340 PolarHBondContact O-N 3.24Å
339	P	36.1	Very low	33.1	Very low	109 Å²	109	129.8 Å²	129.8	71%	0.708	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-3.5	-172.8	-24.6	35.9	0	0	0	116.2
340	E	36.4	Very low	33.3	Very low	158 Å²	158	121.8 Å²	121.8	74%	0.738	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-24	-164	-59.4	178.6	150.9	0	0	113.5	L338 F342	L338-E340 PolarHBondContact O-N 3.24Å; E340-F342 VanDerWaalsContact C-N 3.35Å; E340-F342 PolarHBondContact O-N 2.92Å
341	D	37.6	Very low	33.7	Very low	130 Å²	130	130 Å²	130	70%	0.695	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-76.7	-15.1	-177.2	-76.1	-55.1	0	0	0	114.5	L343	D341-L343 PolarHBondContact O-N 2.72Å; D341-L343 VanDerWaalsContact O-N 3.16Å
342	F	37.2	Very low	33.9	Very low	159 Å²	159	132 Å²	132	70%	0.697	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-69.6	-11.4	-174.4	-86.5	-85.3	0	0	0	115	E340	E340-F342 VanDerWaalsContact C-N 3.35Å; E340-F342 PolarHBondContact O-N 2.92Å
343	L	42.2	Very low	34	Very low	161 Å²	161	139.2 Å²	139.2	84%	0.843	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-97.6	8.4	-171.4	-66.9	176.1	0	0	0	115.2	D341	D341-L343 PolarHBondContact O-N 2.72Å; D341-L343 VanDerWaalsContact O-N 3.16Å
344	K	37.4	Very low	34.3	Very low	202 Å²	202	139.2 Å²	139.2	88%	0.878	74%	0.742	S	S	*	*	S	Bend	trans	-133.9	6.1	-170.1	-137.6	166.2	-172.4	169.4	0	117.8
345	A	33.3	Very low	34.4	Very low	83 Å²	83	138.5 Å²	138.5	69%	0.686	75%	0.745	S	S	*	*	S	Bend	trans	-112	-10.9	-172.3	0	0	0	0	0	116.1	L347	A345-L347 PolarHBondContact O-N 2.81Å
346	S	35.5	Very low	34.7	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	76%	0.758	S	S	*	*			trans	-90.9	21.8	-158.9	-48.6	0	0	0	0	117.1
347	L	35	Very low	35	Very low	175 Å²	175	144.6 Å²	144.6	92%	0.916	76%	0.762	S	S	*	*			trans	-138.1	74	-177.2	-74.8	176.5	0	0	0	113.2	A345	A345-L347 PolarHBondContact O-N 2.81Å
348	A	30.6	Very low	35.1	Very low	89 Å²	89	145 Å²	145	74%	0.736	76%	0.763	S	S	*	*			trans	-159	57.5	173	0	0	0	0	0	115.2
349	Y	37.1	Very low	35.2	Very low	249 Å²	249	147.7 Å²	147.7	98%	0.976	77%	0.771	S	S	*	*			trans	-149.1	135	156	-109.6	-82	0	0	0	109.2
350	G	31.9	Very low	35.4	Very low	67 Å²	67	147.8 Å²	147.8	69%	0.691	78%	0.775	S	S	*	*			trans	-105.8	174.9	-156.9	0	0	0	0	0	117.3
351	M	38.3	Very low	35.6	Very low	195 Å²	195	146.5 Å²	146.5	96%	0.961	78%	0.78	S	S	*	*			trans	-151.4	171.1	152.9	-82.1	-54.3	-82.9	0	0	108.9
352	E	34.2	Very low	35.7	Very low	146 Å²	146	148.1 Å²	148.1	68%	0.682	79%	0.788	S	S	*	*			trans	-96.7	149.6	-163.5	-87.5	-138	109.6	0	0	117.6
353	R	33	Very low	36.1	Very low	204 Å²	204	145.7 Å²	145.7	77%	0.77	79%	0.788	S	S	*	*			trans	46.3	162.9	137.6	-76	-170.6	144.3	92.3	-2.8	122.8
354	P	35.3	Very low	35.9	Very low	95 Å²	95	143.4 Å²	143.4	62%	0.617	79%	0.785	S	S	*	*			cis	-143.4	167.4	-46.8	41.7	-23.8	0	0	0	115.6
355	T	32.2	Very low	36	Very low	130 Å²	130	138.5 Å²	138.5	80%	0.798	78%	0.777	S	S	*	*			trans	43.8	104.8	148.4	53.5	0	0	0	0	123
356	Y	34.7	Very low	36.4	Very low	214 Å²	214	140 Å²	140	84%	0.839	78%	0.777	S	S	*	*				-168.9	129.1	125.6	62	-96	0	0	0	108.1
357	I	33.5	Very low	36.7	Very low	147 Å²	147	140.6 Å²	140.6	75%	0.754	78%	0.777	S	S	*	*				85.6	107.4	70.2	-70.4	175.1	0	0	0	114.5
358	T	32.3	Very low	37.5	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	77%	0.767	S	S	*	*			trans	80.6	151.1	148.2	59.3	0	0	0	0	126.3
359	H	36.1	Very low	38.1	Very low	173 Å²	173	138.3 Å²	138.3	80%	0.801	77%	0.768	S	S	*	*			trans	85.3	96.6	157.4	-53	-57.9	0	0	0	121.1
360	S	39.8	Very low	38.5	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	76%	0.759	S	S	*	*			trans	-81.7	168.1	146	-46.4	0	0	0	0	110.9
361	P	40.8	Very low	39.4	Very low	130 Å²	130	135.3 Å²	135.3	84%	0.844	77%	0.766	S	S	*	*				-141.5	173.2	115.2	34.8	-19.3	0	0	0	116.8
362	L	39.5	Very low	39.7	Very low	165 Å²	165	130.2 Å²	130.2	86%	0.864	76%	0.755	S	S	*	*			trans	-80.4	-170.2	178.3	-78.5	171.5	0	0	0	111.2
363	P	45.9	Very low	39.9	Very low	107 Å²	107	128.6 Å²	128.6	70%	0.695	76%	0.76	S	S	*	*			cis	-160.2	-172.3	32	46.8	-23	0	0	0	122.3
364	S	37.6	Very low	40.1	Very low	113 Å²	113	124.4 Å²	124.4	79%	0.79	76%	0.762	S	S	*	*			trans	78.9	137	152.4	-63.5	0	0	0	0	118.9
365	S	40.1	Very low	40.2	Very low	100 Å²	100	125.2 Å²	125.2	70%	0.699	77%	0.77	S	S	*	*			cis	-162.1	-154.6	-11.1	-151.4	0	0	0	0	108.6
366	T	40.2	Very low	41	Very low	114 Å²	114	124 Å²	124	70%	0.699	76%	0.764	S	S	*	*			cis	-160.4	112.1	9.1	-10.9	0	0	0	0	112.5
367	T	42.5	Very low	41.1	Very low	120 Å²	120	121.1 Å²	121.1	74%	0.736	76%	0.758	S	S	*	*				63.3	162.4	128.5	63.7	0	0	0	0	124.3
368	P	51.8	Low	41.4	Very low	110 Å²	110	121.5 Å²	121.5	71%	0.714	76%	0.757	S	S	*	*				-147.4	-167	-56.7	43.9	-25	0	0	0	115.4
369	S	43.1	Very low	41.7	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	75%	0.754	S	S	*	*			trans	124.9	154.1	149.4	-47.6	0	0	0	0	116.3
370	P	45.7	Very low	41.6	Very low	123 Å²	123	119.2 Å²	119.2	80%	0.799	75%	0.753	S	S	*	*				-135.8	176.5	-83.9	33.4	-11.1	0	0	0	117.3
371	P	51.1	Low	41.4	Very low	130 Å²	130	122.2 Å²	122.2	84%	0.844	75%	0.751	S	S	*	*			trans	-130.2	-174.6	-168.3	44.6	-29.8	0	0	0	117.3
372	A	44.3	Very low	41	Very low	87 Å²	87	121.3 Å²	121.3	72%	0.719	75%	0.748	S	S	*	*			trans	-158.5	120.2	168.2	0	0	0	0	0	111.5
373	S	38.1	Very low	40.8	Very low	112 Å²	112	118 Å²	118	78%	0.783	75%	0.745	S	S	*	*				74.5	140.5	92.7	73.5	0	0	0	0	117.1
374	S	38.4	Very low	40.5	Very low	117 Å²	117	118.2 Å²	118.2	82%	0.818	75%	0.749	S	S	*	*			cis	-170.6	171.7	-7.2	45.5	0	0	0	0	112.7
375	S	36.2	Very low	40.8	Very low	111 Å²	111	117.5 Å²	117.5	78%	0.776	74%	0.741	S	S	*	*			trans	-76.9	-163.1	-179.2	-41.6	0	0	0	0	114.1
376	P	49.3	Very low	40.5	Very low	105 Å²	105	121.8 Å²	121.8	68%	0.682	75%	0.75	S	S	*	*			cis	-147.9	178.3	3.4	44.9	-23.9	0	0	0	120.1
377	E	37.4	Very low	40.3	Very low	154 Å²	154	120.1 Å²	120.1	72%	0.72	76%	0.756	S	S	*	*			trans	72.5	143.1	135.4	-88.6	-178.9	96.2	0	0	128.8
378	Q	39.4	Very low	40.1	Very low	154 Å²	154	120 Å²	120	72%	0.72	76%	0.76	S	S	*	*			trans	86.9	119	139.8	-80.8	-175.6	51.3	0	0	125.5
379	S	37.7	Very low	39.7	Very low	88 Å²	88	120.7 Å²	120.7	62%	0.615	76%	0.764	S	S	*	*				82.3	105.3	127.8	-68.1	0	0	0	0	124.1
380	L	35.1	Very low	39.2	Very low	146 Å²	146	119.3 Å²	119.3	76%	0.764	77%	0.767	S	S	*	*				86.3	133.9	123	-68.5	172.8	0	0	0	122.9
381	K	34.3	Very low	38.6	Very low	174 Å²	174	120.5 Å²	120.5	76%	0.757	77%	0.766	S	S	*	*			trans	79.7	95.1	144.3	-75.4	174.4	179.1	179.2	0	121.2
382	S	33.3	Very low	37.7	Very low	111 Å²	111	120 Å²	120	78%	0.776	76%	0.761	S	S	*	*				87.8	144.8	111.5	69.4	0	0	0	0	122.1
383	A	34.6	Very low	37.5	Very low	96 Å²	96	122.4 Å²	122.4	79%	0.793	77%	0.767	S	S	*	*			trans	73.5	98.9	153	0	0	0	0	0	119.8
384	S	39.8	Very low	37.5	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	77%	0.765	S	S	*	*			trans	-49.8	159.6	134.1	-27.4	0	0	0	0	110.4
385	P	44.7	Very low	37.8	Very low	98 Å²	98	122.1 Å²	122.1	64%	0.636	76%	0.762	S	S	*	*				-157.7	-176.4	52.9	45.6	-25	0	0	0	118.6
386	H	34.5	Very low	38	Very low	191 Å²	191	122.9 Å²	122.9	88%	0.884	76%	0.761	S	S	*	*			trans	57.4	142.4	153.6	-58.1	-49.6	0	0	0	121.1
387	G	35.5	Very low	37.5	Very low	79 Å²	79	123.9 Å²	123.9	81%	0.814	77%	0.765	S	S	*	*			trans	147.4	90.1	160.7	0	0	0	0	0	116.6
388	S	38.4	Very low	37.6	Very low	118 Å²	118	122.5 Å²	122.5	83%	0.825	77%	0.77	S	S	*	*			trans	-110.4	-178.7	153.3	-37.5	0	0	0	0	107.7
389	P	43.7	Very low	37.5	Very low	123 Å²	123	118.3 Å²	118.3	80%	0.799	77%	0.768	S	S	*	*			cis	-136.7	171.3	-12.4	40.3	-24.1	0	0	0	115.1
390	G	32.5	Very low	37.6	Very low	78 Å²	78	120.4 Å²	120.4	80%	0.804	78%	0.78	S	S	*	*			trans	71.1	-176.4	157.1	0	0	0	0	0	117.4
391	N	33.2	Very low	37.9	Very low	147 Å²	147	118.5 Å²	118.5	79%	0.786	78%	0.776	S	S	*	*			cis	-160.5	158	-14.2	-157.9	14.9	0	0	0	110.9
392	T	31.6	Very low	38	Very low	121 Å²	121	118.6 Å²	118.6	74%	0.742	78%	0.779	S	S	*	*			trans	61.2	165	173.8	64.4	0	0	0	0	116.4
393	V	39.6	Very low	38.3	Very low	136 Å²	136	119.8 Å²	119.8	82%	0.824	77%	0.772	S	S	*	*			cis	-138.9	160.3	22	-178.5	0	0	0	0	111.7
394	S	38.5	Very low	38.3	Very low	106 Å²	106	124.3 Å²	124.3	74%	0.741	77%	0.769	S	S	*	*			trans	-93.3	-157.2	-178.8	-24.3	0	0	0	0	113
395	P	45.2	Very low	38.5	Very low	118 Å²	118	125.7 Å²	125.7	77%	0.766	77%	0.767	S	S	*	*			cis	-132.6	-144.4	-35.6	36.2	-14.5	0	0	0	112.5
396	V	39.9	Very low	38	Very low	126 Å²	126	125.3 Å²	125.3	76%	0.764	77%	0.767	S	S	*	*			trans	91.9	121.2	169	-176.3	0	0	0	0	115.3
397	V	38.8	Very low	38.1	Very low	126 Å²	126	127.1 Å²	127.1	76%	0.764	77%	0.768	S	S	*	*			cis	89.4	140.3	24.7	-179.6	0	0	0	0	113.5
398	P	39.4	Very low	38	Very low	125 Å²	125	128.3 Å²	128.3	81%	0.812	76%	0.764	S	S	*	*			cis	-126.1	-161.5	4.7	33	-9.1	0	0	0	116
399	G	36.7	Very low	38	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	76%	0.763	S	S	*	*			trans	-90.4	-146	175.4	0	0	0	0	0	115.4
400	P	40.2	Very low	37.7	Very low	131 Å²	131	133.7 Å²	133.7	85%	0.851	76%	0.761	S	S	*	*			cis	-132.8	-115.7	22	28.7	-0.1	0	0	0	118.3
401	P	41.7	Very low	37.5	Very low	106 Å²	106	136.6 Å²	136.6	69%	0.688	76%	0.758	S	S	*	*				-130.9	-164.6	-113.9	42.4	-22.3	0	0	0	119.5
402	E	36.9	Very low	37.5	Very low	177 Å²	177	136.2 Å²	136.2	83%	0.827	76%	0.761	S	S	*	*			trans	81.7	157	169.4	-32.6	-160	112.5	0	0	117.9
403	H	39.2	Very low	37.3	Very low	135 Å²	135	135.2 Å²	135.2	63%	0.625	76%	0.759	S	S	*	*			cis	-157.6	138.9	3.4	-168.3	-126.5	0	0	0	113.2
404	R	34.9	Very low	37.1	Very low	192 Å²	192	140.3 Å²	140.3	73%	0.725	77%	0.765	S	S	*	*			trans	58.3	165.2	157.2	-81.2	-170.8	-162.6	-141.5	1	121
405	D	43	Very low	37	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	76%	0.763	S	S	*	*			cis	-132.6	-180	17.4	-116.7	-44.6	0	0	0	115.6
406	S	34.6	Very low	36.4	Very low	90 Å²	90	138.2 Å²	138.2	63%	0.629	76%	0.764	S	S	*	*			trans	-123.5	159.2	-167.9	-59.1	0	0	0	0	116
407	Y	37.7	Very low	36.1	Very low	230 Å²	230	141.4 Å²	141.4	90%	0.902	77%	0.771	S	S	*	*			trans	-150.3	142.4	144	-99.3	-73.2	0	0	0	111
408	S	33.1	Very low	36	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	77%	0.767	S	S	*	*			trans	-150.1	145.4	-175.1	-55.8	0	0	0	0	111
409	Y	37.8	Very low	35.9	Very low	209 Å²	209	141.3 Å²	141.3	82%	0.82	77%	0.774	S	S	*	*			trans	-146	120.1	164.6	-105.9	-86.9	0	0	0	112.3
410	L	37.7	Very low	35.9	Very low	144 Å²	144	141.7 Å²	141.7	75%	0.754	78%	0.778	S	S	*	*			trans	32.6	124.9	154.3	-49.5	177.3	0	0	0	119.6
411	N	29	Very low	35.8	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	77%	0.772	S	S	*	*			cis	68.1	96.6	32.9	-170	37.4	0	0	0	116.9
412	V	32	Very low	35.7	Very low	140 Å²	140	145.9 Å²	145.9	85%	0.848	78%	0.781	S	S	*	*			trans	-150.9	137.7	142.2	178.3	0	0	0	0	109.5
413	S	28.3	Very low	35.9	Very low	99 Å²	99	143 Å²	143	69%	0.692	78%	0.777	S	S	*	*			trans	-138.6	131.4	161.8	-61.3	0	0	0	0	108.5
414	Y	35.1	Very low	35.7	Very low	243 Å²	243	139.9 Å²	139.9	95%	0.953	78%	0.782	S	S	*	*			trans	175.7	157.8	154.8	-103.7	-65.2	0	0	0	112.5
415	G	35.5	Very low	35.9	Very low	68 Å²	68	142.6 Å²	142.6	70%	0.701	79%	0.794	S	S	*	*			trans	85.7	116.3	174.7	0	0	0	0	0	114
416	S	33.7	Very low	35.5	Very low	113 Å²	113	140.2 Å²	140.2	79%	0.79	79%	0.794	S	S	*	*			cis	87.6	125.6	9.3	-141.7	0	0	0	0	117.9
417	E	33.6	Very low	35.7	Very low	192 Å²	192	142 Å²	142	90%	0.897	80%	0.803	S	S	*	*			trans	76.5	150.8	165	-47.6	-160.4	167.2	0	0	120.5
418	G	36.4	Very low	35.6	Very low	67 Å²	67	135 Å²	135	69%	0.691	79%	0.793	S	S	*	*			trans	109.9	57.7	-177.6	0	0	0	0	0	115.3
419	L	37.2	Very low	35.8	Very low	182 Å²	182	136 Å²	136	95%	0.953	80%	0.797	S	S	*	*				58.6	115.9	92.8	-66.3	177.2	0	0	0	116
420	G	36	Very low	35.9	Very low	75 Å²	75	134.7 Å²	134.7	77%	0.773	80%	0.798	S	S	*	*			trans	178.8	48.1	-176.9	0	0	0	0	0	117.1
421	S	37.8	Very low	35.7	Very low	104 Å²	104	135.8 Å²	135.8	73%	0.727	80%	0.804	S	S	*	*			trans	22	111.5	152.1	-59.4	0	0	0	0	120
422	Y	40.3	Very low	36.1	Very low	222 Å²	222	134.6 Å²	134.6	87%	0.871	80%	0.803	S	S	*	*				84.4	159.2	82.7	-85.5	-50.7	0	0	0	115.2
423	P	40.4	Very low	36.5	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	80%	0.8	S	S	*	*			cis	-136	167.1	-30.7	37.1	-20.7	0	0	0	115.3
424	G	36.5	Very low	36.8	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	80%	0.8	S	S	*	*			trans	92.5	146.9	149	0	0	0	0	0	117.8
425	Y	38.4	Very low	36.8	Very low	248 Å²	248	131.3 Å²	131.3	97%	0.973	80%	0.799	S	S	*	*			cis	-121.1	160.8	3.7	-115.9	-100.6	0	0	0	113
426	A	33.8	Very low	36.8	Very low	90 Å²	90	134.8 Å²	134.8	74%	0.744	80%	0.799	S	S	*	*			trans	-101.7	165.5	-167.7	0	0	0	0	0	114.5
427	P	39.8	Very low	36.9	Very low	127 Å²	127	135.2 Å²	135.2	83%	0.825	80%	0.799	S	S	*	*			trans	-103.9	167.7	-174.5	40.3	-35.2	0	0	0	114.5
428	A	34.7	Very low	36.8	Very low	84 Å²	84	130.4 Å²	130.4	69%	0.694	79%	0.787	S	S	*	*			trans	-165.1	147.8	151.4	0	0	0	0	0	112.4
429	P	38.7	Very low	36.7	Very low	124 Å²	124	137.8 Å²	137.8	81%	0.805	80%	0.796	S	S	*	*			trans	-101.7	158.4	174.9	38.2	-33.4	0	0	0	113.7
430	H	38.4	Very low	36.5	Very low	182 Å²	182	135.6 Å²	135.6	84%	0.843	79%	0.785	S	S	*	*			trans	-160.7	159.1	161.2	33.8	-86.6	0	0	0	114
431	L	34.4	Very low	36.4	Very low	167 Å²	167	135.6 Å²	135.6	87%	0.874	78%	0.778	S	S	*	*			trans	-57.9	165.2	-160.4	-67.1	157.2	0	0	0	119.6
432	P	36.6	Very low	36.3	Very low	113 Å²	113	140 Å²	140	73%	0.734	79%	0.786	S	S	*	*			trans	-92.6	-167.4	170.1	44.7	-39.9	0	0	0	110.9
433	P	40.7	Very low	35.7	Very low	119 Å²	119	137.9 Å²	137.9	77%	0.773	78%	0.778	S	S	*	*			cis	-138.1	-161.3	3.6	45.1	-26.4	0	0	0	115.7
434	A	34.3	Very low	35.4	Very low	85 Å²	85	137 Å²	137	70%	0.702	77%	0.773	S	S	*	*			trans	89.9	118.9	160.3	0	0	0	0	0	119.5
435	F	35.8	Very low	35.1	Very low	210 Å²	210	140.8 Å²	140.8	92%	0.921	77%	0.769	S	S	*	*				-167.7	149.9	112.2	-104.7	-74.5	0	0	0	110.1
436	I	34.9	Very low	34.8	Very low	140 Å²	140	137.6 Å²	137.6	72%	0.718	76%	0.76	S	S	*	*			trans	-126.1	151.5	177.5	-17	177.3	0	0	0	108.2
437	P	36.8	Very low	34.7	Very low	122 Å²	122	140.5 Å²	140.5	79%	0.792	76%	0.763	S	S	*	*				-133.9	149	86.5	12.3	11	0	0	0	112.7
438	S	30.7	Very low	34.1	Very low	92 Å²	92	141.6 Å²	141.6	64%	0.643	76%	0.761	S	S	*	*			cis	95.1	151.3	46.2	-63.1	0	0	0	0	113.7
439	Y	35.5	Very low	33.9	Very low	222 Å²	222	141.9 Å²	141.9	87%	0.871	76%	0.755	S	S	*	*			trans	82.2	132.9	-175.5	-77.2	-111.1	0	0	0	117.7
440	N	33.2	Very low	33.4	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	75%	0.752	S	S	*	*			cis	-154.8	162.4	-25.2	-150.5	-23.4	0	0	0	110.1
441	A	32.1	Very low	33	Very low	75 Å²	75	142.9 Å²	142.9	62%	0.62	75%	0.752	S	S	*	*			trans	-109.8	151.8	178.4	0	0	0	0	0	111.8
442	H	36	Very low	32.7	Very low	196 Å²	196	138.1 Å²	138.1	91%	0.907	74%	0.742	S	S	*	*			trans	-143.5	154.8	156.2	-109.3	44.5	0	0	0	111.4
443	Y	29.1	Very low	32.3	Very low	179 Å²	179	140.7 Å²	140.7	70%	0.702	75%	0.748	S	S	*	*			trans	-92.7	-174.1	-169.6	-116.3	-126.8	0	0	0	110.7	K445	Y443-K445 HydrophobicContact CD1-CG 4.49Å; Y443-K445 HydrophobicContact CE1-CD 3.98Å; Y443-K445 HydrophobicContact CE1-CG 3.91Å; Y443-K445 WeakPolarHBondContact OH-CE 3.28Å
444	P	33.3	Very low	31.7	Very low	97 Å²	97	141 Å²	141	63%	0.63	75%	0.753	S	S	*	*			cis	-134.3	174.8	15.9	41.9	-23.9	0	0	0	118.3	F446	P444-F446 HydrophobicContact CG-CE2 4.04Å
445	K	29.1	Very low	31.2	Very low	149 Å²	149	141.4 Å²	141.4	65%	0.648	75%	0.751	S	S	*	*			trans	-66	135.1	165	-58.4	161	180	166.9	0	110.9	Y443	Y443-K445 HydrophobicContact CD1-CG 4.49Å; Y443-K445 HydrophobicContact CE1-CD 3.98Å; Y443-K445 HydrophobicContact CE1-CG 3.91Å; Y443-K445 WeakPolarHBondContact OH-CE 3.28Å
446	F	33.7	Very low	30.9	Very low	182 Å²	182	139.6 Å²	139.6	80%	0.798	75%	0.751	S	S	*	*			trans	-128.5	102.7	140.9	-68.1	-81.7	0	0	0	105.1	P444	P444-F446 HydrophobicContact CG-CE2 4.04Å
447	L	30.6	Very low	30.7	Very low	151 Å²	151	136 Å²	136	79%	0.791	75%	0.749	S	S	*	*				66.5	126.3	83.8	-69.5	176.2	0	0	0	112.7
448	L	28.2	Very low	30.4	Very low	150 Å²	150	137.9 Å²	137.9	79%	0.785	75%	0.751	S	S	*	*			trans	-66.6	160.3	175.6	-69.5	157.4	0	0	0	110.6
449	P	30.5	Very low	30.2	Very low	90 Å²	90	138.1 Å²	138.1	58%	0.584	75%	0.753	S	S	*	*				-108.9	124.8	116.5	-18.2	33.7	0	0	0	112.4	Y451	P449-Y451 HydrophobicContact CB-CD2 3.73Å; P449-Y451 HydrophobicContact CB-CE2 3.45Å; P449-Y451 VanDerWaalsContact CB-CE2 3.45Å; P449-Y451 HydrophobicContact CG-CE2 4.14Å; P449-Y451 PolarHBondContact O-N 3.24Å
450	P	27.1	Very low	30.1	Very low	112 Å²	112	133.2 Å²	133.2	73%	0.727	75%	0.746	S	S	*	*			trans	-81.9	86.7	168.4	33.5	-30.5	0	0	0	109.1	G452	P450-G452 PolarHBondContact O-N 2.9Å
451	Y	30.1	Very low	30.1	Very low	215 Å²	215	134.4 Å²	134.4	84%	0.843	75%	0.749	S	S	*	*			trans	-72.5	96.8	173	-83.7	-71.4	0	0	0	110.5	P449	P449-Y451 HydrophobicContact CB-CD2 3.73Å; P449-Y451 HydrophobicContact CB-CE2 3.45Å; P449-Y451 VanDerWaalsContact CB-CE2 3.45Å; P449-Y451 HydrophobicContact CG-CE2 4.14Å; P449-Y451 PolarHBondContact O-N 3.24Å
452	G	29.5	Very low	30	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	75%	0.753	S	S	*	*			trans	-69.1	163.3	-178.9	0	0	0	0	0	113.6	P450 S454	P450-G452 PolarHBondContact O-N 2.9Å; G452-S454 PolarHBondContact O-N 3.44Å
453	I	26.8	Very low	29.6	Very low	167 Å²	167	134.2 Å²	134.2	86%	0.856	75%	0.745	S	S	*	*			trans	-77.1	118.8	171.8	-62.7	161.6	0	0	0	107.9
454	S	28	Very low	30	Very low	126 Å²	126	133 Å²	133	88%	0.881	75%	0.749	S	S	*	*			trans	-138.1	99.1	160.2	-99.4	0	0	0	0	109.4	G452	G452-S454 PolarHBondContact O-N 3.44Å
455	S	24.1	Very low	29.7	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	76%	0.758	S	S	*	*			trans	-91.9	120.3	164.2	50.7	0	0	0	0	108.9
456	N	30.7	Very low	29.8	Very low	171 Å²	171	132 Å²	132	91%	0.914	76%	0.763	S	S	*	*			trans	170.5	155.2	147.2	-88.6	-16.8	0	0	0	110.8
457	G	29.5	Very low	29.8	Very low	65 Å²	65	130.7 Å²	130.7	67%	0.67	76%	0.762	S	S	*	*			trans	105.5	84	155.8	0	0	0	0	0	117.9
458	L	30.8	Very low	29.8	Very low	161 Å²	161	129.7 Å²	129.7	84%	0.843	76%	0.758	S	S	*	*				57.3	132	129.1	-64.1	158.4	0	0	0	121.1
459	S	26.4	Very low	29.7	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	76%	0.755	S	S	*	*				41.3	136.9	123.3	-50.4	0	0	0	0	120.5
460	T	32.8	Very low	29.8	Very low	120 Å²	120	135.4 Å²	135.4	74%	0.736	77%	0.774	S	S	*	*			cis	-166	156.7	28.5	-11.3	0	0	0	0	112.9
461	M	34.6	Very low	29.8	Very low	159 Å²	159	134.5 Å²	134.5	78%	0.783	77%	0.77	S	S	*	*			trans	66.3	129.2	146.5	-81.6	177.6	178.6	0	0	124
462	N	30.1	Very low	30	Very low	132 Å²	132	132.6 Å²	132.6	71%	0.706	77%	0.774	S	S	*	*			trans	68.5	99.3	131.8	-62.9	-5.3	0	0	0	123.1
463	N	26.8	Very low	29.9	Very low	136 Å²	136	138.1 Å²	138.1	73%	0.727	78%	0.779	S	S	*	*				53.2	113.8	95.5	-165.7	22.5	0	0	0	119.3
464	I	36.4	Very low	30.3	Very low	152 Å²	152	136 Å²	136	78%	0.779	78%	0.776	S	S	*	*				-179.5	157.9	122.8	-92.3	156.5	0	0	0	112
465	N	28.3	Very low	30.5	Very low	155 Å²	155	140.3 Å²	140.3	83%	0.829	77%	0.773	S	S	*	*			trans	-64.8	160.8	-177.2	-52.2	-53.8	0	0	0	115.4
466	G	30.8	Very low	30.8	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	78%	0.784	S	S	*	*			trans	-178.8	55.7	171.3	0	0	0	0	0	120.6
467	I	33.5	Very low	30.6	Very low	153 Å²	153	144.5 Å²	144.5	79%	0.785	78%	0.775	S	S	*	*			trans	16.6	143.5	153.3	-5.1	178	0	0	0	123.2
468	N	29.8	Very low	31.1	Very low	131 Å²	131	146.8 Å²	146.8	70%	0.701	78%	0.778	S	S	*	*			trans	87.2	109.7	147.8	-73.2	-29.8	0	0	0	123.1
469	N	27.5	Very low	31.1	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	78%	0.777	S	S	*	*				35.2	119.3	127.6	-72.4	-20.3	0	0	0	121.4
470	F	31.8	Very low	31.3	Very low	222 Å²	222	151.9 Å²	151.9	97%	0.974	79%	0.787	S	S	*	*				-129.4	140.7	125.3	-99.9	-82.2	0	0	0	110.9
471	S	28	Very low	31	Very low	93 Å²	93	150.9 Å²	150.9	65%	0.65	79%	0.786	S	S	*	*			trans	-130.9	142.1	179.4	63	0	0	0	0	110.3
472	L	33.8	Very low	31	Very low	176 Å²	176	150.3 Å²	150.3	92%	0.921	79%	0.786	S	S	*	*			trans	-159.4	146.7	154.5	-104.9	167.4	0	0	0	110.5
473	F	27.7	Very low	31.3	Very low	182 Å²	182	151 Å²	151	80%	0.798	79%	0.789	S	S	*	*			trans	-119.9	158.5	-173.9	-87.5	-82.3	0	0	0	110.5
474	P	35.7	Very low	31.8	Very low	122 Å²	122	152.6 Å²	152.6	79%	0.792	80%	0.796	S	S	*	*				-137.7	132.7	90.4	17.1	5.5	0	0	0	113.7
475	R	30.3	Very low	31.6	Very low	216 Å²	216	150.8 Å²	150.8	82%	0.815	80%	0.797	S	S	*	*				57.4	118.3	86.1	-69.2	-172.7	173.3	-171.6	-0.2	115.9
476	L	31.4	Very low	31.8	Very low	169 Å²	169	147.4 Å²	147.4	89%	0.885	80%	0.799	S	S	*	*				177.5	145.3	104.1	-92.5	170.4	0	0	0	112.1
477	Y	26.2	Very low	31.9	Very low	185 Å²	185	147.8 Å²	147.8	73%	0.725	80%	0.802	S	S	*	*			trans	-141.1	124.1	171.5	-123.3	-74.1	0	0	0	107.3	K14	K14-Y477 PolarHBondContact NZ-OH 2.89Å; K14-Y477 VanDerWaalsContact NZ-OH 3.16Å
478	P	40.2	Very low	31.8	Very low	112 Å²	112	148.1 Å²	148.1	73%	0.727	81%	0.806	S	S	*	*			trans	-80	135.1	177.7	-11.5	27.9	0	0	0	111.6
479	V	31	Very low	32.1	Very low	138 Å²	138	150.1 Å²	150.1	84%	0.836	82%	0.816	S	S	*	*			trans	-112.7	124.7	161.6	177.1	0	0	0	0	106.8
480	Y	31.2	Very low	32.5	Very low	227 Å²	227	148.3 Å²	148.3	89%	0.89	81%	0.811	S	S	*	*			trans	-86.2	130.6	169.5	-98.1	-88.7	0	0	0	109.6
481	S	26.5	Very low	32.7	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	80%	0.804	S	S	*	*			trans	-120.8	144.2	172.5	-178.9	0	0	0	0	108.5
482	N	34.2	Very low	33.4	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	80%	0.804	S	S	*	*			trans	-137.7	99.6	168.2	-107.9	-5	0	0	0	109.4
483	L	35.2	Very low	33.5	Very low	148 Å²	148	145 Å²	145	78%	0.775	79%	0.794	S	S	*	*			trans	34	109.9	135.3	-61.9	164	0	0	0	117.7
484	L	38.1	Very low	34	Very low	168 Å²	168	143.2 Å²	143.2	88%	0.88	79%	0.792	S	S	*	*				-168.9	161.8	106.9	-97	162	0	0	0	111.1
485	S	32.3	Very low	33.8	Very low	115 Å²	115	144.2 Å²	144.2	80%	0.804	79%	0.791	S	S	*	*			trans	-30.8	149.4	-174.7	-46.6	0	0	0	0	118.5
486	G	32.6	Very low	34.3	Very low	84 Å²	84	139.4 Å²	139.4	87%	0.866	79%	0.788	S	S	*	*			cis	139.6	134.9	1.8	0	0	0	0	0	112
487	G	33	Very low	34.5	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	78%	0.784	S	S	*	*			trans	146	128.9	177.4	0	0	0	0	0	113.6
488	N	30.6	Very low	35	Very low	161 Å²	161	132.4 Å²	132.4	86%	0.861	79%	0.786	S	S	*	*			trans	-106.8	152.4	-177.1	-66.7	-40	0	0	0	112.1
489	L	35.9	Very low	34.6	Very low	173 Å²	173	134.9 Å²	134.9	91%	0.906	79%	0.792	S	S	*	*				171.7	136.7	121	-92.4	163.6	0	0	0	112
490	P	35.8	Very low	34.8	Very low	98 Å²	98	133.6 Å²	133.6	64%	0.636	79%	0.786	S	S	*	*			trans	-129.3	172.4	-178.6	43.7	-32.3	0	0	0	116.8
491	H	36.1	Very low	34.9	Very low	178 Å²	178	128.2 Å²	128.2	82%	0.824	78%	0.782	S	S	*	*			trans	73.7	169.5	153.2	-73.5	-52.3	0	0	0	118.8
492	P	42.5	Very low	35.3	Very low	99 Å²	99	129.4 Å²	129.4	64%	0.643	79%	0.791	S	S	*	*				-140.8	-167.9	-68	40.1	-20.6	0	0	0	114
493	M	37.7	Very low	35.3	Very low	145 Å²	145	130.3 Å²	130.3	71%	0.714	79%	0.794	S	S	*	*			trans	144.9	136.2	134.4	-75.7	-81	73.6	0	0	117.2
494	L	37.3	Very low	35.4	Very low	144 Å²	144	129 Å²	129	75%	0.754	80%	0.795	S	S	*	*			trans	60	150.3	138.9	-64.5	172.1	0	0	0	121.2
495	N	31.2	Very low	35.3	Very low	144 Å²	144	126.6 Å²	126.6	77%	0.77	79%	0.787	S	S	*	*			cis	-162.9	161.3	-17.4	-158.1	45	0	0	0	109.9
496	P	41.5	Very low	35.6	Very low	115 Å²	115	129.2 Å²	129.2	75%	0.747	79%	0.792	S	S	*	*			trans	-114.3	161.6	-170.5	40	-31.8	0	0	0	118.6
497	A	35.5	Very low	35.7	Very low	99 Å²	99	128.1 Å²	128.1	82%	0.818	78%	0.781	S	S	*	*			trans	-166	166.3	177	0	0	0	0	0	109.4
498	S	35.9	Very low	35.9	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	79%	0.786	S	S	*	*			cis	-161.9	-163	-13.9	53.1	0	0	0	0	110.3
499	L	31.8	Very low	36	Very low	163 Å²	163	133.3 Å²	133.3	85%	0.853	79%	0.787	S	S	*	*			trans	-144	-171.9	179	-62.5	173	0	0	0	108.8
500	P	36.3	Very low	35.9	Very low	111 Å²	111	136.5 Å²	136.5	72%	0.721	79%	0.787	S	S	*	*			cis	-143.3	169.9	-1	41.6	-21.3	0	0	0	119.5
501	S	32.2	Very low	35.5	Very low	115 Å²	115	139 Å²	139	80%	0.804	80%	0.795	S	S	*	*			trans	39.4	137.8	140.1	-53.7	0	0	0	0	127.2
502	S	35.3	Very low	35.3	Very low	125 Å²	125	138.5 Å²	138.5	87%	0.874	80%	0.797	S	S	*	*			trans	-169.9	164.6	133	19.2	0	0	0	0	114
503	L	33.8	Very low	34.9	Very low	164 Å²	164	139.3 Å²	139.3	86%	0.859	80%	0.803	S	S	*	*			trans	-137.2	157.8	-177	-78.4	170	0	0	0	109.7
504	P	37.1	Very low	34.7	Very low	122 Å²	122	138.1 Å²	138.1	79%	0.792	81%	0.806	S	S	*	*				-154.2	-150.6	80.8	38.6	-15.5	0	0	0	114
505	T	36.9	Very low	34.4	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	81%	0.812	S	S	*	*				-173.2	120.3	-70.4	-68.2	0	0	0	0	109.4
506	D	37.7	Very low	34.5	Very low	169 Å²	169	142.4 Å²	142.4	90%	0.904	82%	0.817	S	S	*	*			trans	174.8	161.9	152.3	-108.9	-33.1	0	0	0	110.2
507	G	35.5	Very low	34.3	Very low	61 Å²	61	142.8 Å²	142.8	63%	0.629	82%	0.819	S	S	*	*			cis	177.8	157	-4.5	0	0	0	0	0	112.9
508	A	38.1	Very low	34	Very low	111 Å²	111	149 Å²	149	92%	0.917	82%	0.822	S	S	*	*			trans	70.1	148.7	170.7	0	0	0	0	0	121.2
509	R	31.2	Very low	34	Very low	238 Å²	238	153.4 Å²	153.4	90%	0.898	83%	0.83	S	S	*	*			trans	-124.4	159.7	177.6	-64.6	168.6	165.9	146.4	-9.4	110
510	R	34.6	Very low	33.9	Very low	240 Å²	240	151.5 Å²	151.5	91%	0.906	83%	0.825	S	S	*	*				-159.4	164.6	127.4	-113.6	175.8	-164	-82.1	-0.4	113.1
511	L	27.9	Very low	33.7	Very low	152 Å²	152	153.7 Å²	153.7	80%	0.796	83%	0.83	S	S	*	*			trans	-127.4	152.5	-175.2	-65.8	159.4	0	0	0	109
512	L	31.9	Very low	33.7	Very low	166 Å²	166	154 Å²	154	87%	0.869	83%	0.827	S	S	*	*			trans	159.5	158.7	131.1	-82.1	167.1	0	0	0	110.6
513	P	33.6	Very low	33.5	Very low	117 Å²	117	153.7 Å²	153.7	76%	0.76	82%	0.821	S	S	*	*			trans	-126	-145.2	-151.9	45.5	-26.9	0	0	0	113.2
514	P	33	Very low	33.6	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	82%	0.82	S	S	*	*				-101.5	160.5	-129.1	40.2	-26	0	0	0	115.5
515	E	32.3	Very low	33.5	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	81%	0.812	S	S	*	*			trans	-126.2	137.8	165.8	-64.9	-155.2	124.4	0	0	112.6
516	H	32.2	Very low	33.5	Very low	186 Å²	186	152.2 Å²	152.2	86%	0.861	82%	0.817	S	S	*	*			trans	-95.9	150.1	156.6	-82.2	-68.2	0	0	0	108.3
517	P	37.5	Very low	33.3	Very low	123 Å²	123	149.7 Å²	149.7	80%	0.799	81%	0.812	S	S	*	*				-122.4	166.9	120.5	-4.4	24.5	0	0	0	113.6
518	R	30.2	Very low	33.4	Very low	231 Å²	231	150.6 Å²	150.6	87%	0.872	81%	0.814	S	S	*	*			trans	-85.6	151	163.5	-66.5	173.5	170.1	173.8	-4.9	109.5
519	E	35	Very low	33.2	Very low	199 Å²	199	154.6 Å²	154.6	93%	0.93	81%	0.811	S	S	*	*			trans	-119	161.7	145.4	-71	-158.5	130.1	0	0	110.6
520	V	29.3	Very low	33.3	Very low	123 Å²	123	147.6 Å²	147.6	75%	0.745	80%	0.799	S	S	*	*			trans	-118.5	-178.3	-172.7	173.9	0	0	0	0	108
521	L	32.8	Very low	33.3	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	80%	0.796	S	S	*	*			trans	90	142.7	-180	-64.3	113.9	0	0	0	115.4
522	V	32.7	Very low	33.5	Very low	121 Å²	121	143.2 Å²	143.2	73%	0.733	80%	0.798	S	S	*	*			cis	-158.9	153.1	-27.1	115.4	0	0	0	0	106.8
523	P	31	Very low	33.5	Very low	118 Å²	118	139.2 Å²	139.2	77%	0.766	80%	0.797	S	S	*	*			trans	-82.3	154	-174.4	33.2	-35.1	0	0	0	114.2
524	A	34.8	Very low	33.4	Very low	101 Å²	101	138.6 Å²	138.6	84%	0.835	80%	0.801	S	S	*	*			trans	-120.2	127.1	175.1	0	0	0	0	0	111.2
525	P	35.3	Very low	33.4	Very low	94 Å²	94	137.8 Å²	137.8	61%	0.61	81%	0.805	S	S	*	*			trans	-110.4	-171.8	-178.5	11.9	11.8	0	0	0	114.1
526	H	37.5	Very low	33.6	Very low	177 Å²	177	133.2 Å²	133.2	82%	0.819	80%	0.8	S	S	*	*			trans	74	142.6	171.5	-30.9	-70.2	0	0	0	114.2
527	S	33.8	Very low	33.6	Very low	117 Å²	117	130 Å²	130	82%	0.818	80%	0.798	S	S	*	*			cis	-153.2	-165.1	-0.6	55	0	0	0	0	108.2
528	A	37.7	Very low	33.8	Very low	80 Å²	80	132.9 Å²	132.9	66%	0.661	80%	0.803	S	S	*	*			cis	-157.4	168.2	7.4	0	0	0	0	0	113.8
529	F	32.4	Very low	34	Very low	195 Å²	195	129.7 Å²	129.7	86%	0.855	80%	0.796	S	S	*	*			trans	-25	161.9	149.3	-59.9	-73.2	0	0	0	119.3
530	S	33.7	Very low	34.1	Very low	91 Å²	91	125.7 Å²	125.7	64%	0.636	78%	0.781	S	S	*	*			cis	-165.4	163.9	8.2	-127.9	0	0	0	0	116.5
531	L	35.3	Very low	34.3	Very low	161 Å²	161	127.1 Å²	127.1	84%	0.843	78%	0.779	S	S	*	*			trans	69.6	143.2	143.3	-74.4	162.8	0	0	0	123.3
532	T	31	Very low	34.4	Very low	139 Å²	139	123.1 Å²	123.1	85%	0.853	77%	0.765	S	S	*	*			trans	-92.3	153.7	173	44.4	0	0	0	0	112.3
533	G	32.4	Very low	34.5	Very low	81 Å²	81	123 Å²	123	84%	0.835	77%	0.769	S	S	*	*			trans	-162.6	149.9	169.5	0	0	0	0	0	110.8
534	A	31.8	Very low	35	Very low	104 Å²	104	123.1 Å²	123.1	86%	0.86	77%	0.77	S	S	*	*			trans	-149	168.6	-170.9	0	0	0	0	0	113.9
535	A	31.6	Very low	35.7	Very low	103 Å²	103	124 Å²	124	85%	0.851	77%	0.767	S	S	*	*			trans	81.4	162.5	170	0	0	0	0	0	118.8
536	A	36.6	Very low	35.6	Very low	95 Å²	95	125.4 Å²	125.4	79%	0.785	78%	0.779	S	S	*	*			trans	63.2	111.1	-171.6	0	0	0	0	0	115.1
537	S	33.7	Very low	35.5	Very low	118 Å²	118	120.3 Å²	120.3	83%	0.825	78%	0.775	S	S	*	*			cis	79.4	76.5	10.3	-173.6	0	0	0	0	118.6
538	M	40.5	Very low	35.7	Very low	184 Å²	184	120.8 Å²	120.8	91%	0.906	78%	0.778	S	S	*	*			trans	179.6	159.9	151.3	51.3	-164.7	-67.3	0	0	110.1
539	K	35.1	Very low	36.2	Very low	165 Å²	165	122.6 Å²	122.6	72%	0.717	78%	0.783	S	S	*	*			cis	-169	166.2	-39	-165.2	180	160.3	-77.4	0	106.3
540	D	37.3	Very low	36.6	Very low	114 Å²	114	120.7 Å²	120.7	61%	0.61	79%	0.787	S	S	*	*			trans	73.5	147.6	163.7	-60	-41	0	0	0	116.7
541	E	34.3	Very low	36.8	Very low	153 Å²	153	121 Å²	121	72%	0.715	80%	0.795	S	S	*	*			cis	-155.5	159.9	-2.8	-123.9	-68.9	82.5	0	0	113.4
542	S	35	Very low	37	Very low	75 Å²	75	116.8 Å²	116.8	52%	0.524	79%	0.791	S	S	.	*			trans	23.2	120.4	157.9	47.8	0	0	0	0	126.4
543	S	33.5	Very low	37.4	Very low	117 Å²	117	116.8 Å²	116.8	82%	0.818	79%	0.791	S	S	*	*				71.5	135.5	117	-54.7	0	0	0	0	125.3
544	P	42	Very low	37.7	Very low	122 Å²	122	117.5 Å²	117.5	79%	0.792	79%	0.789	S	S	*	*			trans	-116.1	-152.4	168.4	45.4	-34.4	0	0	0	112
545	P	48.5	Very low	38.1	Very low	118 Å²	118	116.4 Å²	116.4	77%	0.766	78%	0.78	S	S	*	*			cis	-128.2	170.6	-38.8	33.5	-16.2	0	0	0	114.4
546	S	34.5	Very low	38.4	Very low	124 Å²	124	117.8 Å²	117.8	87%	0.867	78%	0.778	S	S	*	*			trans	-172.2	159.9	150.6	60.1	0	0	0	0	115.4
547	G	35.7	Very low	38.7	Very low	71 Å²	71	118.4 Å²	118.4	73%	0.732	78%	0.777	S	S	*	*			trans	73.7	123.8	163.3	0	0	0	0	0	117
548	S	38.2	Very low	38.9	Very low	126 Å²	126	120.8 Å²	120.8	88%	0.881	78%	0.775	S	S	*	*			cis	105	144.3	31.8	-68.3	0	0	0	0	113.2
549	P	46.4	Very low	39.1	Very low	119 Å²	119	119.6 Å²	119.6	77%	0.773	77%	0.767	S	S	*	*			trans	-118.4	171.3	-147	41.7	-31.5	0	0	0	116.4
550	T	41.2	Very low	39.3	Very low	154 Å²	154	117.6 Å²	117.6	95%	0.945	77%	0.768	S	S	*	*			trans	-149.5	164.6	165.7	-57.6	0	0	0	0	110.8
551	A	37.5	Very low	39.5	Very low	97 Å²	97	118.3 Å²	118.3	80%	0.802	78%	0.777	S	S	*	*			trans	-98.6	169.9	-159.4	0	0	0	0	0	116.9
552	G	39.7	Very low	39.7	Very low	74 Å²	74	118.4 Å²	118.4	76%	0.763	78%	0.777	S	S	*	*			trans	-146.8	157	165.7	0	0	0	0	0	110
553	T	39.4	Very low	40.4	Very low	138 Å²	138	121.1 Å²	121.1	85%	0.847	79%	0.793	S	S	*	*			trans	-138.4	156.3	-152.9	-42	0	0	0	0	115.2
554	A	39.3	Very low	40.3	Very low	96 Å²	96	124.4 Å²	124.4	79%	0.793	79%	0.793	S	S	*	*			trans	76.3	157.2	167.2	0	0	0	0	0	116.4
555	A	39.4	Very low	40.4	Very low	81 Å²	81	122.6 Å²	122.6	67%	0.669	79%	0.788	S	S	*	*			cis	-144.9	167	7.8	0	0	0	0	0	113.7
556	T	39.8	Very low	40	Very low	133 Å²	133	123.1 Å²	123.1	82%	0.816	79%	0.789	S	S	*	*			trans	15.4	137.7	146.3	54.5	0	0	0	0	119.7
557	S	42.4	Very low	40.4	Very low	108 Å²	108	122 Å²	122	76%	0.755	78%	0.781	S	S	*	*			cis	-164.5	-166.7	10.5	58	0	0	0	0	109.1
558	E	38.1	Very low	40.7	Very low	168 Å²	168	123.5 Å²	123.5	79%	0.785	78%	0.78	S	S	*	*			cis	-141.3	-107.6	7.4	-141.7	-151.1	91.5	0	0	114.4
559	H	43.8	Very low	40.8	Very low	158 Å²	158	123.6 Å²	123.6	73%	0.731	78%	0.775	S	S	*	*			trans	-155.2	169.5	-139.2	-145.4	-111.9	0	0	0	117
560	V	40.1	Very low	40.6	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	78%	0.779	S	S	*	*			trans	72.3	122.3	172.6	-174.7	0	0	0	0	115.1
561	V	41.2	Very low	40.5	Very low	129 Å²	129	123.4 Å²	123.4	78%	0.782	77%	0.772	S	S	*	*			cis	-162.6	173.1	-12	77.8	0	0	0	0	110.2
562	Q	37.4	Very low	40.3	Very low	154 Å²	154	123.3 Å²	123.3	72%	0.72	77%	0.771	S	S	*	*			trans	-140	168.8	163	-74.4	-168.9	-9.3	0	0	110.4
563	P	50	Low	40.5	Very low	133 Å²	133	125.4 Å²	125.4	86%	0.864	77%	0.771	S	S	*	*			trans	-125.9	164.4	132.4	8.2	13	0	0	0	113.5
564	K	32.2	Very low	40.4	Very low	186 Å²	186	123.7 Å²	123.7	81%	0.809	77%	0.765	S	S	*	*			trans	-153	151.7	-161.3	175.4	-179.2	178.2	-179.1	0	111.6
565	A	43.9	Very low	40.4	Very low	84 Å²	84	125.4 Å²	125.4	69%	0.694	77%	0.766	S	S	*	*			trans	-142.4	111.8	168	0	0	0	0	0	107.6
566	T	40.9	Very low	40.2	Very low	128 Å²	128	129.8 Å²	129.8	79%	0.785	78%	0.778	S	S	*	*				67.6	126.8	80.9	58.7	0	0	0	0	113.6
567	S	42.7	Very low	40.3	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	77%	0.774	S	S	*	*			cis	-160.6	168.3	5.8	56.7	0	0	0	0	113.4
568	S	40.4	Very low	39.9	Very low	102 Å²	102	126.7 Å²	126.7	71%	0.713	78%	0.779	S	S	*	*			trans	47.8	140.7	138.2	67.5	0	0	0	0	121.1
569	V	40.9	Very low	40	Very low	128 Å²	128	126.8 Å²	126.8	78%	0.776	78%	0.782	S	S	*	*			cis	-155.2	161.4	36.2	175.5	0	0	0	0	111.7
570	M	43.3	Very low	39.6	Very low	173 Å²	173	126.7 Å²	126.7	85%	0.852	79%	0.787	S	S	*	*			trans	-28.4	164.4	156.9	-45.9	-52.6	-172	0	0	117.6
571	A	38.7	Very low	39.3	Very low	97 Å²	97	129 Å²	129	80%	0.802	79%	0.794	S	S	*	*			cis	-167.1	176.1	-16.5	0	0	0	0	0	110.2
572	A	33.8	Very low	39.2	Very low	94 Å²	94	130.2 Å²	130.2	78%	0.777	79%	0.794	S	S	*	*			trans	-94.2	-174.7	-177.1	0	0	0	0	0	112.2
573	P	43	Very low	39.3	Very low	118 Å²	118	132 Å²	132	77%	0.766	80%	0.8	S	S	*	*			cis	-144.7	-176.8	20.6	44.8	-24.7	0	0	0	119
574	S	37.6	Very low	38.5	Very low	103 Å²	103	132.2 Å²	132.2	72%	0.72	79%	0.794	S	S	*	*			trans	70.1	89.6	149.1	-175.6	0	0	0	0	120.5
575	T	39.9	Very low	38.8	Very low	132 Å²	132	131.7 Å²	131.7	81%	0.81	79%	0.791	S	S	*	*				-176.5	95.4	111.9	41.4	0	0	0	0	108.9	G577	T575-G577 PolarHBondContact O-N 3.19Å
576	D	34.5	Very low	38.6	Very low	173 Å²	173	137.6 Å²	137.6	93%	0.925	80%	0.796	S	S	*	*			trans	-80.6	105.5	-178.2	-85.6	-55.1	0	0	0	112.6
577	G	40.9	Very low	38.3	Very low	70 Å²	70	137 Å²	137	72%	0.722	79%	0.787	S	S	*	*			trans	-70.1	124.7	169.7	0	0	0	0	0	111.3	T575 M579	T575-G577 PolarHBondContact O-N 3.19Å; G577-M579 PolarHBondContact O-N 3.37Å
578	A	35.7	Very low	37.7	Very low	106 Å²	106	141 Å²	141	88%	0.876	80%	0.797	S	S	*	*			trans	-74.2	79.4	-167.4	0	0	0	0	0	114.7
579	M	39.9	Very low	37.8	Very low	169 Å²	169	142 Å²	142	83%	0.833	80%	0.8	S	S	*	*			trans	-141	129.1	165.4	-65.9	-166.1	-175.4	0	0	113.4	G577	G577-M579 PolarHBondContact O-N 3.37Å
580	N	34.3	Very low	37.3	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	79%	0.786	S	S	*	*	S	Bend	trans	66.9	56.3	154.6	-59	-40.4	0	0	0	121.2
581	L	34.9	Very low	36.7	Very low	172 Å²	172	135.1 Å²	135.1	90%	0.901	77%	0.766	S	S	*	*			trans	-153.1	66.4	150.8	-155.2	67.2	0	0	0	116.1
582	I	39.3	Very low	36.9	Very low	155 Å²	155	139.9 Å²	139.9	80%	0.795	77%	0.768	S	S	*	*			trans	-126.5	139.3	178.4	-67.8	178.2	0	0	0	111.6
583	K	38.3	Very low	37.4	Very low	191 Å²	191	141.3 Å²	141.3	83%	0.83	77%	0.768	S	S	*	*			trans	60.2	72	173.4	-68.7	167.4	-176.2	178.3	0	116.7
584	N	34.5	Very low	37.5	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	75%	0.752	S	S	*	*			trans	-93.1	32.4	153	-135.1	-24.9	0	0	0	112	R586	N584-R586 PolarHBondContact O-N 3.49Å
585	K	37.7	Very low	38.6	Very low	175 Å²	175	138.3 Å²	138.3	76%	0.761	74%	0.741	S	S	*	*			trans	-81.9	91.2	173.6	-170.5	178.5	-176.3	-178.4	0	108.1	N587	K585-N587 PolarHBondContact O-N 3.09Å
586	R	39.6	Very low	39.6	Very low	209 Å²	209	134.6 Å²	134.6	79%	0.789	71%	0.712	S	S	*	*			trans	-71.3	90.9	177.5	-63.7	-179.6	-169.9	145.7	4.7	109.4	N584 M588	N584-R586 PolarHBondContact O-N 3.49Å; R586-M588 PolarHBondContact O-N 3.02Å; R586-M588 VanDerWaalsContact O-N 3.14Å
587	N	34.3	Very low	40.9	Very low	114 Å²	114	129.2 Å²	129.2	61%	0.61	69%	0.687	S	S	*	*			trans	-55.4	119.8	169.1	-87.1	6.8	0	0	0	108.6	K585 T589	K585-N587 PolarHBondContact O-N 3.09Å; N587-T589 PolarHBondContact O-N 3.31Å
588	M	30.7	Very low	42.1	Very low	185 Å²	185	129.6 Å²	129.6	91%	0.911	67%	0.672	S	S	*	*			trans	-104.4	64.1	-166.5	-168.1	-175	73.1	0	0	110.4	R586	R586-M588 PolarHBondContact O-N 3.02Å; R586-M588 VanDerWaalsContact O-N 3.14Å
589	T	41.2	Very low	43.4	Very low	125 Å²	125	129 Å²	129	77%	0.767	65%	0.65	S	S	*	*			trans	-120.5	129.7	172	42.5	0	0	0	0	109.5	N587	N587-T589 PolarHBondContact O-N 3.31Å
590	G	30.4	Very low	44.6	Very low	48 Å²	48	129 Å²	129	50%	0.495	65%	0.645	S	S	.	*			trans	-63.5	162.2	158.8	0	0	0	0	0	109.4
591	Y	30.7	Very low	45.7	Very low	108 Å²	108	125.6 Å²	125.6	42%	0.424	62%	0.624	S	S	.	*			cis	-154.1	94.1	17.4	-16.5	-102.6	0	0	0	107.1	N95 P148 T593	N95-Y591 HydrophobicContact CB-CD2 3.24Å; N95-Y591 HydrophobicContact CB-CE2 3.67Å; N95-Y591 HydrophobicContact CB-CG 3.89Å; P148-Y591 WeakPolarHBondContact CD-OH 3.41Å; Y591-T593 PolarHBondContact O-N 3.24Å
592	K	43.5	Very low	46.8	Very low	196 Å²	196	124.3 Å²	124.3	85%	0.852	62%	0.618	S	S	*	*			trans	-64.7	131.7	174.1	-70.5	-174.4	175.8	-176.8	0	109.1
593	T	44.6	Very low	47.8	Very low	125 Å²	125	119.6 Å²	119.6	77%	0.767	61%	0.608	S	S	*	*	S	Bend	trans	23.5	118.1	161.8	45.3	0	0	0	0	116.9	Y591 P595	Y591-T593 PolarHBondContact O-N 3.24Å; T593-P595 WeakPolarHBondContact O-CD 3.44Å
594	L	46.1	Very low	49.1	Very low	81 Å²	81	114.6 Å²	114.6	42%	0.424	59%	0.586	S	S	.	*			trans	-32.1	109.5	173	-75.3	175.5	0	0	0	111.2	Y596 L598	L594-Y596 PolarHBondContact O-N 3.25Å; L594-L598 HydrophobicContact CD1-CD1 3.77Å; L594-L598 HydrophobicContact CD1-CD2 4.49Å; L594-L598 HydrophobicContact CD1-CG 4.26Å
595	P	59.2	Low	50.9	Low	76 Å²	76	110.2 Å²	110.2	49%	0.494	56%	0.562	S	S	.	*	S	Bend	trans	-74.3	11.5	-167	27.3	-34.6	0	0	0	113.7	T593 N610	T593-P595 WeakPolarHBondContact O-CD 3.44Å; P595-N610 PolarHBondContact O-ND2 2.81Å; P595-N610 PolarHBondContact O-OD1 3.48Å
596	Y	60.5	Low	52.9	Low	54 Å²	54	104.8 Å²	104.8	21%	0.212	54%	0.539	C	S	.	.	S	Bend	trans	-133.8	121.4	-175	-48.2	-51.9	0	0	0	107.8	L594 L619 L622 L626	L594-Y596 PolarHBondContact O-N 3.25Å; Y596-L619 HydrophobicContact CD2-CD1 3.73Å; Y596-L619 HydrophobicContact CE2-CD1 3.84Å; Y596-L622 HydrophobicContact CD1-CD2 3.86Å; Y596-L622 HydrophobicContact CD2-CD2 3.69Å; Y596-L622 HydrophobicContact CE2-CD2 4.34Å; Y596-L622 HydrophobicContact CG-CD2 3.42Å; Y596-L622 VanDerWaalsContact CG-CD2 3.42Å; Y596-L622 HydrophobicContact CG-CG 4.49Å; Y596-L626 HydrophobicContact CD1-CD1 4.17Å; Y596-L626 HydrophobicContact CE1-CD1 3.33Å; Y596-L626 HydrophobicContact CE1-CD2 4.47Å; Y596-L626 HydrophobicContact CE2-CD1 4.26Å; Y596-L626 WeakPolarHBondContact OH-CD1 3.33Å
597	P	62.6	Low	54.8	Low	61 Å²	61	95.1 Å²	95.1	40%	0.396	50%	0.502	S	S	.	.			trans	-59.9	145.3	177.5	-19.4	29.1	0	0	0	111.5	E608 N610	P597-E608 HydrophobicContact CB-CG 3.85Å; P597-E608 WeakPolarHBondContact CB-OE1 3.27Å; P597-E608 HydrophobicContact CG-CG 3.99Å; P597-E608 PolarHBondContact O-N 3.46Å; P597-N610 WeakPolarHBondContact CD-OD1 3.43Å
598	L	66.8	Low	57.1	Low	77 Å²	77	90.7 Å²	90.7	40%	0.403	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	117.6	176.7	-62	-175.7	0	0	0	109.5	L594 I605 K606 Y607	L594-L598 HydrophobicContact CD1-CD1 3.77Å; L594-L598 HydrophobicContact CD1-CD2 4.49Å; L594-L598 HydrophobicContact CD1-CG 4.26Å; L598-I605 HydrophobicContact CB-CG2 4.17Å; L598-I605 HydrophobicContact CD1-CG2 4.06Å; L598-I605 HydrophobicContact CD2-CG2 3.93Å; L598-I605 HydrophobicContact CG-CG2 4.28Å; L598-K606 WeakPolarHBondContact CA-O 3.4Å; L598-Y607 HydrophobicContact CD2-CD1 3.51Å; L598-Y607 HydrophobicContact CD2-CE1 3.61Å; L598-Y607 HydrophobicContact CD2-CG 4.19Å
599	K	62.5	Low	59.6	Low	95 Å²	95	81.9 Å²	81.9	41%	0.413	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.1	169.5	-75.4	-164.3	167.5	96.5	0	109.7	Q601 K606 E608	K599-Q601 PolarHBondContact O-N 3.3Å; K599-K606 PolarHBondContact N-O 2.63Å; K599-K606 PolarHBondContact O-N 3.36Å; K599-E608 WeakPolarHBondContact CD-OE2 3.48Å; K599-E608 WeakPolarHBondContact CE-OE2 3.42Å; K599-E608 IonicContact NZ-OE1 3.86Å; K599-E608 PolarHBondContact NZ-OE1 3.13Å; K599-E608 IonicContact NZ-OE2 2.67Å; K599-E608 PolarHBondContact NZ-OE2 3.16Å
600	K	64.8	Low	61.5	Low	167 Å²	167	80.9 Å²	80.9	73%	0.726	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	112	172	-168.5	173.3	-174.3	174.3	0	108.5
601	Q	58.4	Low	63.9	Low	85 Å²	85	83.1 Å²	83.1	40%	0.397	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	121.8	176.7	-76.6	-174.2	-21.1	0	0	108.8	K599 G603 K604 K606	K599-Q601 PolarHBondContact O-N 3.3Å; Q601-G603 VanDerWaalsContact C-N 3.33Å; Q601-G603 PolarHBondContact O-N 3.29Å; Q601-K604 PolarHBondContact N-O 2.83Å; Q601-K604 PolarHBondContact O-N 3.47Å; Q601-K604 VanDerWaalsContact O-O 3.04Å; Q601-K606 HydrophobicContact CB-CD 4.31Å
602	N	58.2	Low	66.3	Low	146 Å²	146	80.3 Å²	80.3	78%	0.781	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	48	178.4	-55.6	17	0	0	0	112.4	K604	N602-K604 PolarHBondContact O-N 3.22Å
603	G	60.3	Low	68	Low	56 Å²	56	74.1 Å²	74.1	58%	0.577	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-48.4	-179.4	0	0	0	0	0	114.3	Q601	Q601-G603 VanDerWaalsContact C-N 3.33Å; Q601-G603 PolarHBondContact O-N 3.29Å
604	K	65.1	Low	69.7	Low	86 Å²	86	73.1 Å²	73.1	37%	0.374	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.6	-179.3	-62.1	-171	177.9	-176.5	0	111	D72 E74 Q601 N602	D72-K604 IonicContact OD1-NZ 3.16Å; D72-K604 PolarHBondContact OD1-NZ 3.12Å; D72-K604 IonicContact OD2-NZ 3.1Å; D72-K604 PolarHBondContact OD2-NZ 3.27Å; E74-K604 WeakPolarHBondContact OE1-CE 3.25Å; Q601-K604 PolarHBondContact N-O 2.83Å; Q601-K604 PolarHBondContact O-N 3.47Å; Q601-K604 VanDerWaalsContact O-O 3.04Å; N602-K604 PolarHBondContact O-N 3.22Å
605	I	70.8	Confident	71.3	Confident	45 Å²	45	71.5 Å²	71.5	23%	0.231	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	133.8	178	-68.9	170.4	0	0	0	108.8	Y92 L598	Y92-I605 HydrophobicContact CE1-CB 3.9Å; Y92-I605 HydrophobicContact CE1-CD1 3.7Å; Y92-I605 HydrophobicContact CE1-CG1 4.34Å; Y92-I605 HydrophobicContact CE1-CG2 4.07Å; L598-I605 HydrophobicContact CB-CG2 4.17Å; L598-I605 HydrophobicContact CD1-CG2 4.06Å; L598-I605 HydrophobicContact CD2-CG2 3.93Å; L598-I605 HydrophobicContact CG-CG2 4.28Å
606	K	80.3	Confident	72.4	Confident	62 Å²	62	68.5 Å²	68.5	27%	0.27	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.3	176.6	-55.6	179.8	-174.3	175.1	0	110.8	L598 K599 Q601 T615 F616	L598-K606 WeakPolarHBondContact CA-O 3.4Å; K599-K606 PolarHBondContact N-O 2.63Å; K599-K606 PolarHBondContact O-N 3.36Å; Q601-K606 HydrophobicContact CB-CD 4.31Å; K606-T615 HydrophobicContact CB-CG2 4.34Å; K606-F616 CarbonylContact C-O 3.57Å; K606-F616 WeakPolarHBondContact CA-O 3.31Å
607	Y	80.9	Confident	73.4	Confident	5 Å²	5	68.7 Å²	68.7	2%	0.02	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.9	172.5	-68.3	-82	0	0	0	110.1	T91 L598 T615 F616 L619	T91-Y607 PolarHBondContact O-OH 3.45Å; L598-Y607 HydrophobicContact CD2-CD1 3.51Å; L598-Y607 HydrophobicContact CD2-CE1 3.61Å; L598-Y607 HydrophobicContact CD2-CG 4.19Å; Y607-T615 CarbonylContact O-C 3.57Å; Y607-T615 WeakPolarHBondContact O-CA 3.29Å; Y607-F616 PolarHBondContact N-O 3.32Å; Y607-F616 PolarHBondContact O-N 2.89Å; Y607-L619 HydrophobicContact CD1-CD1 3.94Å; Y607-L619 HydrophobicContact CD2-CB 4.25Å; Y607-L619 HydrophobicContact CE1-CB 4.25Å; Y607-L619 HydrophobicContact CE1-CD1 3.97Å; Y607-L619 HydrophobicContact CE1-CG 4.5Å; Y607-L619 HydrophobicContact CE2-CB 3.92Å; Y607-L619 HydrophobicContact CG-CD1 4.44Å
608	E	82.5	Confident	74.3	Confident	22 Å²	22	69.8 Å²	69.8	10%	0.103	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	147	176.9	88.1	-176.5	-179.8	0	0	115.1	P597 K599 K614 T615	P597-E608 HydrophobicContact CB-CG 3.85Å; P597-E608 WeakPolarHBondContact CB-OE1 3.27Å; P597-E608 HydrophobicContact CG-CG 3.99Å; P597-E608 PolarHBondContact O-N 3.46Å; K599-E608 WeakPolarHBondContact CD-OE2 3.48Å; K599-E608 WeakPolarHBondContact CE-OE2 3.42Å; K599-E608 IonicContact NZ-OE1 3.86Å; K599-E608 PolarHBondContact NZ-OE1 3.13Å; K599-E608 IonicContact NZ-OE2 2.67Å; K599-E608 PolarHBondContact NZ-OE2 3.16Å; E608-K614 WeakPolarHBondContact CA-O 3.46Å; E608-T615 HydrophobicContact CB-CG2 3.94Å
609	C	82.7	Confident	75.1	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.371	C	S	.	.			trans	-82.4	117.6	175.9	-176.9	0	0	0	0	111.5	V611 C612 A613 K614 L622 H629	C609-V611 PolarHBondContact O-N 2.85Å; C609-C612 PolarHBondContact O-N 3.42Å; C609-A613 VanDerWaalsContact O-CA 3.32Å; C609-A613 WeakPolarHBondContact O-CA 3.38Å; C609-A613 PolarHBondContact O-N 2.94Å; C609-K614 PolarHBondContact N-O 3.49Å; C609-L622 HydrophobicContact CB-CD1 3.68Å; C609-H629 VanDerWaalsContact SG-CD2 3.57Å
610	N	80.3	Confident	76.2	Confident	104 Å²	104	64.8 Å²	64.8	56%	0.556	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-21.2	178.7	-50.2	15	0	0	0	113.9	P595 P597	P595-N610 PolarHBondContact O-ND2 2.81Å; P595-N610 PolarHBondContact O-OD1 3.48Å; P597-N610 WeakPolarHBondContact CD-OD1 3.43Å
611	V	80.7	Confident	77.1	Confident	95 Å²	95	60.5 Å²	60.5	58%	0.576	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-23.4	-174.2	-166.5	0	0	0	0	112.9	C609 H629	C609-V611 PolarHBondContact O-N 2.85Å; V611-H629 HydrophobicContact CB-CB 4.42Å; V611-H629 HydrophobicContact CG1-CB 4.37Å; V611-H629 VanDerWaalsContact CG1-ND1 3.32Å; V611-H629 WeakPolarHBondContact CG1-ND1 3.38Å; V611-H629 HydrophobicContact CG2-CB 4.28Å
612	C	81.2	Confident	78.4	Confident	48 Å²	48	56.5 Å²	56.5	32%	0.324	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.4	12.7	-179.4	71.6	0	0	0	0	115.9	C609 K614 H625 H629	C609-C612 PolarHBondContact O-N 3.42Å; C612-K614 PolarHBondContact O-N 3.38Å; C612-K614 VanDerWaalsContact SG-CD 3.57Å; C612-K614 VanDerWaalsContact SG-CG 3.57Å; C612-H625 PolarHBondContact SG-NE2 2.79Å; C612-H629 PolarHBondContact SG-NE2 3.38Å
613	A	79.4	Confident	79.6	Confident	67 Å²	67	55 Å²	55	55%	0.554	32%	0.319	S	S	*	.			trans	54.8	10.9	179.1	0	0	0	0	0	116.5	C609	C609-A613 VanDerWaalsContact O-CA 3.32Å; C609-A613 WeakPolarHBondContact O-CA 3.38Å; C609-A613 PolarHBondContact O-N 2.94Å
614	K	79.4	Confident	80.8	Confident	104 Å²	104	53.8 Å²	53.8	45%	0.452	30%	0.301	S	S	.	.			trans	-66.8	133.7	175.1	-71.2	177.6	-169.3	170.8	0	110.3	E608 C609 C612 F616	E608-K614 WeakPolarHBondContact CA-O 3.46Å; C609-K614 PolarHBondContact N-O 3.49Å; C612-K614 PolarHBondContact O-N 3.38Å; C612-K614 VanDerWaalsContact SG-CD 3.57Å; C612-K614 VanDerWaalsContact SG-CG 3.57Å; K614-F616 HydrophobicContact CB-CE2 3.66Å; K614-F616 HydrophobicContact CB-CZ 4.17Å; K614-F616 WeakPolarHBondContact O-CD2 3.26Å; K614-F616 WeakPolarHBondContact O-CE2 3.46Å
615	T	80.9	Confident	81.7	Confident	46 Å²	46	50.7 Å²	50.7	28%	0.282	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147.2	178.5	50.7	0	0	0	0	112.4	K606 Y607 E608	K606-T615 HydrophobicContact CB-CG2 4.34Å; Y607-T615 CarbonylContact O-C 3.57Å; Y607-T615 WeakPolarHBondContact O-CA 3.29Å; E608-T615 HydrophobicContact CB-CG2 3.94Å
616	F	82.9	Confident	82.3	Confident	14 Å²	14	50.1 Å²	50.1	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.4	-175.3	-64.4	-99.1	0	0	0	109.6	K606 Y607 K614 Q618 N621 L622 H625	K606-F616 CarbonylContact C-O 3.57Å; K606-F616 WeakPolarHBondContact CA-O 3.31Å; Y607-F616 PolarHBondContact N-O 3.32Å; Y607-F616 PolarHBondContact O-N 2.89Å; K614-F616 HydrophobicContact CB-CE2 3.66Å; K614-F616 HydrophobicContact CB-CZ 4.17Å; K614-F616 WeakPolarHBondContact O-CD2 3.26Å; K614-F616 WeakPolarHBondContact O-CE2 3.46Å; F616-Q618 VanDerWaalsContact C-N 3.27Å; F616-Q618 PolarHBondContact O-N 3.17Å; F616-N621 HydrophobicContact CD1-CB 3.85Å; F616-L622 HydrophobicContact CB-CB 4.24Å; F616-L622 HydrophobicContact CD2-CB 4.25Å; F616-L622 HydrophobicContact CD2-CD1 3.9Å; F616-L622 HydrophobicContact CE2-CD1 4.05Å; F616-L622 HydrophobicContact CG-CB 4.2Å; F616-H625 HydrophobicContact CE1-CB 3.69Å; F616-H625 HydrophobicContact CE2-CB 4.22Å; F616-H625 AromaticContact CE2-CD2 3.21Å; F616-H625 WeakPolarHBondContact CE2-CD2 3.4Å; F616-H625 AromaticContact CE2-CG 3.88Å; F616-H625 AromaticContact CE2-NE2 3.94Å; F616-H625 HydrophobicContact CZ-CB 3.48Å; F616-H625 VanDerWaalsContact CZ-CB 3.48Å; F616-H625 AromaticContact CZ-CD2 3.11Å; F616-H625 WeakPolarHBondContact CZ-CD2 3.47Å; F616-H625 AromaticContact CZ-CG 3.28Å; F616-H625 AromaticContact CZ-NE2 3.89Å
617	G	81.7	Confident	82.5	Confident	58 Å²	58	50.5 Å²	50.5	60%	0.598	29%	0.285	S	S	*	.	S	Bend	trans	-76.5	-9.5	178.1	0	0	0	0	0	114.9
618	Q	80.9	Confident	82.5	Confident	84 Å²	84	52.4 Å²	52.4	39%	0.393	30%	0.297	S	S	.	.	S	Bend	trans	-141.6	144.6	-177.8	-67.4	174.3	-23.2	0	0	110.7	F616 S620 N621 L622	F616-Q618 VanDerWaalsContact C-N 3.27Å; F616-Q618 PolarHBondContact O-N 3.17Å; Q618-S620 VanDerWaalsContact C-N 3.32Å; Q618-S620 WeakPolarHBondContact CB-OG 3.35Å; Q618-S620 PolarHBondContact O-N 2.97Å; Q618-N621 PolarHBondContact O-N 3.03Å; Q618-N621 PolarHBondContact OE1-ND2 2.88Å; Q618-L622 PolarHBondContact O-N 2.6Å
619	L	84.1	Confident	82.5	Confident	20 Å²	20	55 Å²	55	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-30.9	178.8	-176.7	60.3	0	0	0	112.6	I93 Y596 Y607 L622 K623	I93-L619 HydrophobicContact CD1-CD2 4.07Å; Y596-L619 HydrophobicContact CD2-CD1 3.73Å; Y596-L619 HydrophobicContact CE2-CD1 3.84Å; Y607-L619 HydrophobicContact CD1-CD1 3.94Å; Y607-L619 HydrophobicContact CD2-CB 4.25Å; Y607-L619 HydrophobicContact CE1-CB 4.25Å; Y607-L619 HydrophobicContact CE1-CD1 3.97Å; Y607-L619 HydrophobicContact CE1-CG 4.5Å; Y607-L619 HydrophobicContact CE2-CB 3.92Å; Y607-L619 HydrophobicContact CG-CD1 4.44Å; L619-L622 PolarHBondContact O-N 3.17Å; L619-K623 WeakPolarHBondContact O-CG 3.22Å; L619-K623 PolarHBondContact O-N 3.11Å
620	S	84.2	Confident	82.3	Confident	46 Å²	46	58.6 Å²	58.6	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-54.7	-52.1	171.5	50.2	0	0	0	0	111.5	Q618 L622 K623 V624	Q618-S620 VanDerWaalsContact C-N 3.32Å; Q618-S620 WeakPolarHBondContact CB-OG 3.35Å; Q618-S620 PolarHBondContact O-N 2.97Å; S620-L622 VanDerWaalsContact C-N 3.33Å; S620-L622 PolarHBondContact O-N 3.18Å; S620-K623 WeakPolarHBondContact O-CB 3.37Å; S620-K623 PolarHBondContact O-N 3.28Å; S620-K623 VanDerWaalsContact O-N 3.17Å; S620-V624 WeakPolarHBondContact O-CG2 3.36Å; S620-V624 PolarHBondContact O-N 2.86Å
621	N	84.6	Confident	82.2	Confident	78 Å²	78	55.9 Å²	55.9	42%	0.417	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-33.1	-179	-64.9	-29	0	0	0	112.4	F616 Q618 H625	F616-N621 HydrophobicContact CD1-CB 3.85Å; Q618-N621 PolarHBondContact O-N 3.03Å; Q618-N621 PolarHBondContact OE1-ND2 2.88Å; N621-H625 VanDerWaalsContact O-CB 3.31Å; N621-H625 WeakPolarHBondContact O-CB 3.34Å; N621-H625 PolarHBondContact O-N 3.07Å
622	L	86.1	Confident	82.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-68.7	-44.2	170.2	179.3	56.5	0	0	0	112	Y596 C609 F616 Q618 L619 S620 V624 H625 L626	Y596-L622 HydrophobicContact CD1-CD2 3.86Å; Y596-L622 HydrophobicContact CD2-CD2 3.69Å; Y596-L622 HydrophobicContact CE2-CD2 4.34Å; Y596-L622 HydrophobicContact CG-CD2 3.42Å; Y596-L622 VanDerWaalsContact CG-CD2 3.42Å; Y596-L622 HydrophobicContact CG-CG 4.49Å; C609-L622 HydrophobicContact CB-CD1 3.68Å; F616-L622 HydrophobicContact CB-CB 4.24Å; F616-L622 HydrophobicContact CD2-CB 4.25Å; F616-L622 HydrophobicContact CD2-CD1 3.9Å; F616-L622 HydrophobicContact CE2-CD1 4.05Å; F616-L622 HydrophobicContact CG-CB 4.2Å; Q618-L622 PolarHBondContact O-N 2.6Å; L619-L622 PolarHBondContact O-N 3.17Å; S620-L622 VanDerWaalsContact C-N 3.33Å; S620-L622 PolarHBondContact O-N 3.18Å; L622-V624 VanDerWaalsContact C-N 3.31Å; L622-V624 PolarHBondContact O-N 2.93Å; L622-H625 PolarHBondContact O-N 3.18Å; L622-L626 HydrophobicContact CD1-CD1 4.02Å; L622-L626 HydrophobicContact CD1-CD2 4.46Å; L622-L626 HydrophobicContact CD1-CG 3.93Å; L622-L626 HydrophobicContact CG-CD1 3.84Å; L622-L626 HydrophobicContact CG-CG 4.28Å; L622-L626 VanDerWaalsContact O-CG 3.29Å; L622-L626 WeakPolarHBondContact O-CG 3.33Å; L622-L626 PolarHBondContact O-N 3.46Å
623	K	83.8	Confident	82.3	Confident	114 Å²	114	57.5 Å²	57.5	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-56.7	-43.5	174.9	-75.5	172.9	178.5	175.8	0	111.7	L619 S620 L626	L619-K623 WeakPolarHBondContact O-CG 3.22Å; L619-K623 PolarHBondContact O-N 3.11Å; S620-K623 WeakPolarHBondContact O-CB 3.37Å; S620-K623 PolarHBondContact O-N 3.28Å; S620-K623 VanDerWaalsContact O-N 3.17Å; K623-L626 PolarHBondContact O-N 3.46Å
624	V	83.5	Confident	82.5	Confident	31 Å²	31	57.7 Å²	57.7	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-44.8	175.6	172.5	0	0	0	0	111.1	S620 L622 L626 R627 Q646	S620-V624 WeakPolarHBondContact O-CG2 3.36Å; S620-V624 PolarHBondContact O-N 2.86Å; L622-V624 VanDerWaalsContact C-N 3.31Å; L622-V624 PolarHBondContact O-N 2.93Å; V624-L626 VanDerWaalsContact C-N 3.34Å; V624-L626 PolarHBondContact O-N 3.2Å; V624-R627 VanDerWaalsContact O-CB 3.29Å; V624-R627 WeakPolarHBondContact O-CB 3.47Å; V624-R627 PolarHBondContact O-N 3.41Å; V624-Q646 HydrophobicContact CG1-CG 3.69Å
625	H	84.7	Confident	82.7	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.102	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-37.5	177	169	44	0	0	0	113.4	C612 F616 N621 L622 R627 V628 H629	C612-H625 PolarHBondContact SG-NE2 2.79Å; F616-H625 HydrophobicContact CE1-CB 3.69Å; F616-H625 HydrophobicContact CE2-CB 4.22Å; F616-H625 AromaticContact CE2-CD2 3.21Å; F616-H625 WeakPolarHBondContact CE2-CD2 3.4Å; F616-H625 AromaticContact CE2-CG 3.88Å; F616-H625 AromaticContact CE2-NE2 3.94Å; F616-H625 HydrophobicContact CZ-CB 3.48Å; F616-H625 VanDerWaalsContact CZ-CB 3.48Å; F616-H625 AromaticContact CZ-CD2 3.11Å; F616-H625 WeakPolarHBondContact CZ-CD2 3.47Å; F616-H625 AromaticContact CZ-CG 3.28Å; F616-H625 AromaticContact CZ-NE2 3.89Å; N621-H625 VanDerWaalsContact O-CB 3.31Å; N621-H625 WeakPolarHBondContact O-CB 3.34Å; N621-H625 PolarHBondContact O-N 3.07Å; L622-H625 PolarHBondContact O-N 3.18Å; H625-R627 PolarHBondContact O-N 3.49Å; H625-V628 WeakPolarHBondContact O-CB 3.49Å; H625-V628 WeakPolarHBondContact O-CG2 3.2Å; H625-V628 PolarHBondContact O-N 3.14Å; H625-H629 AromaticContact CE1-CD2 3.51Å; H625-H629 AromaticContact CE1-NE2 3.22Å; H625-H629 PolarHBondContact CE1-NE2 3.37Å; H625-H629 AromaticContact NE2-CD2 3.73Å; H625-H629 AromaticContact NE2-NE2 3.46Å; H625-H629 PolarHBondContact NE2-NE2 3.41Å
626	L	83.6	Confident	82.9	Confident	33 Å²	33	60 Å²	60	17%	0.173	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-24	178.2	-73.7	161.7	0	0	0	112.7	Y596 L622 K623 V624 V628 H629 S630	Y596-L626 HydrophobicContact CD1-CD1 4.17Å; Y596-L626 HydrophobicContact CE1-CD1 3.33Å; Y596-L626 HydrophobicContact CE1-CD2 4.47Å; Y596-L626 HydrophobicContact CE2-CD1 4.26Å; Y596-L626 WeakPolarHBondContact OH-CD1 3.33Å; L622-L626 HydrophobicContact CD1-CD1 4.02Å; L622-L626 HydrophobicContact CD1-CD2 4.46Å; L622-L626 HydrophobicContact CD1-CG 3.93Å; L622-L626 HydrophobicContact CG-CD1 3.84Å; L622-L626 HydrophobicContact CG-CG 4.28Å; L622-L626 VanDerWaalsContact O-CG 3.29Å; L622-L626 WeakPolarHBondContact O-CG 3.33Å; L622-L626 PolarHBondContact O-N 3.46Å; K623-L626 PolarHBondContact O-N 3.46Å; V624-L626 VanDerWaalsContact C-N 3.34Å; V624-L626 PolarHBondContact O-N 3.2Å; L626-V628 PolarHBondContact O-N 3.43Å; L626-H629 PolarHBondContact O-N 3.47Å; L626-S630 PolarHBondContact O-N 3.28Å
627	R	85.1	Confident	83	Confident	69 Å²	69	59.4 Å²	59.4	26%	0.26	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-30.8	169.7	-62.3	-180	-176.9	147.8	7.4	112.8	V624 H625 H629 S630 G631 E632 T645	V624-R627 VanDerWaalsContact O-CB 3.29Å; V624-R627 WeakPolarHBondContact O-CB 3.47Å; V624-R627 PolarHBondContact O-N 3.41Å; H625-R627 PolarHBondContact O-N 3.49Å; R627-H629 VanDerWaalsContact C-N 3.27Å; R627-H629 PolarHBondContact O-N 3.46Å; R627-S630 PolarHBondContact O-N 3.33Å; R627-G631 CarbonylContact O-C 3.56Å; R627-G631 WeakPolarHBondContact O-CA 3.36Å; R627-G631 PolarHBondContact O-N 2.99Å; R627-E632 HydrophobicContact CB-CB 4.19Å; R627-E632 WeakPolarHBondContact CB-O 3.45Å; R627-E632 HydrophobicContact CG-CB 4.19Å; R627-E632 PolarHBondContact O-N 2.76Å; R627-E632 VanDerWaalsContact O-N 3.12Å; R627-T645 HydrophobicContact CB-CG2 4.16Å; R627-T645 WeakPolarHBondContact CD-O 3.31Å; R627-T645 PolarHBondContact NH1-O 2.96Å
628	V	81.1	Confident	83	Confident	46 Å²	46	64.8 Å²	64.8	28%	0.279	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-30.6	174.2	-172.4	0	0	0	0	111.3	H625 L626 T645	H625-V628 WeakPolarHBondContact O-CB 3.49Å; H625-V628 WeakPolarHBondContact O-CG2 3.2Å; H625-V628 PolarHBondContact O-N 3.14Å; L626-V628 PolarHBondContact O-N 3.43Å; V628-T645 HydrophobicContact CG2-CG2 4.42Å
629	H	80.7	Confident	83.1	Confident	75 Å²	75	63.8 Å²	63.8	35%	0.347	33%	0.333	S	S	.	.	H	α-helix	trans	-86.2	-33.7	176.3	-72.2	-65.3	0	0	0	113.4	C609 V611 C612 H625 L626 R627	C609-H629 VanDerWaalsContact SG-CD2 3.57Å; V611-H629 HydrophobicContact CB-CB 4.42Å; V611-H629 HydrophobicContact CG1-CB 4.37Å; V611-H629 VanDerWaalsContact CG1-ND1 3.32Å; V611-H629 WeakPolarHBondContact CG1-ND1 3.38Å; V611-H629 HydrophobicContact CG2-CB 4.28Å; C612-H629 PolarHBondContact SG-NE2 3.38Å; H625-H629 AromaticContact CE1-CD2 3.51Å; H625-H629 AromaticContact CE1-NE2 3.22Å; H625-H629 PolarHBondContact CE1-NE2 3.37Å; H625-H629 AromaticContact NE2-CD2 3.73Å; H625-H629 AromaticContact NE2-NE2 3.46Å; H625-H629 PolarHBondContact NE2-NE2 3.41Å; L626-H629 PolarHBondContact O-N 3.47Å; R627-H629 VanDerWaalsContact C-N 3.27Å; R627-H629 PolarHBondContact O-N 3.46Å
630	S	79.6	Confident	83	Confident	76 Å²	76	65 Å²	65	53%	0.531	34%	0.342	S	S	.	.	H	α-helix	trans	-76.8	-21.5	174.4	-163	0	0	0	0	112.9	L626 R627 E632	L626-S630 PolarHBondContact O-N 3.28Å; R627-S630 PolarHBondContact O-N 3.33Å; S630-E632 VanDerWaalsContact CB-OE1 3.29Å; S630-E632 WeakPolarHBondContact CB-OE1 3.46Å; S630-E632 PolarHBondContact O-N 3.43Å; S630-E632 PolarHBondContact OG-OE1 2.87Å
631	G	79.1	Confident	82.9	Confident	48 Å²	48	66.2 Å²	66.2	50%	0.495	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	6.6	-168.3	0	0	0	0	0	113.5	R627 R633	R627-G631 CarbonylContact O-C 3.56Å; R627-G631 WeakPolarHBondContact O-CA 3.36Å; R627-G631 PolarHBondContact O-N 2.99Å; G631-R633 PolarHBondContact O-N 2.69Å
632	E	79.4	Confident	82.7	Confident	107 Å²	107	67.5 Å²	67.5	50%	0.5	35%	0.347	S	S	.	.			trans	-65.6	113.3	-176.4	-87	171.4	-120.1	0	0	112.3	R627 S630 P634	R627-E632 HydrophobicContact CB-CB 4.19Å; R627-E632 WeakPolarHBondContact CB-O 3.45Å; R627-E632 HydrophobicContact CG-CB 4.19Å; R627-E632 PolarHBondContact O-N 2.76Å; R627-E632 VanDerWaalsContact O-N 3.12Å; S630-E632 VanDerWaalsContact CB-OE1 3.29Å; S630-E632 WeakPolarHBondContact CB-OE1 3.46Å; S630-E632 PolarHBondContact O-N 3.43Å; S630-E632 PolarHBondContact OG-OE1 2.87Å; E632-P634 VanDerWaalsContact C-CD 3.45Å; E632-P634 VanDerWaalsContact O-CD 3.27Å; E632-P634 WeakPolarHBondContact O-CD 3.48Å
633	R	82.9	Confident	82.5	Confident	70 Å²	70	68.2 Å²	68.2	26%	0.264	36%	0.355	S	S	.	.			trans	-121.3	74.4	-179.7	-77.8	175.6	152.6	176.5	-5.7	110.2	G631 K636 G643 F644 T645 E763 D766	G631-R633 PolarHBondContact O-N 2.69Å; R633-K636 WeakPolarHBondContact O-CE 3.41Å; R633-G643 WeakPolarHBondContact CD-O 3.42Å; R633-G643 PolarHBondContact NE-O 2.93Å; R633-F644 CarbonylContact C-O 3.56Å; R633-F644 WeakPolarHBondContact CA-O 3.14Å; R633-T645 HydrophobicContact CG-CG2 4.46Å; R633-E763 PolarHBondContact NH2-O 2.99Å; R633-D766 IonicContact CZ-OD2 2.67Å; R633-D766 VanDerWaalsContact NH2-CG 3.34Å; R633-D766 IonicContact NH2-OD1 2.74Å; R633-D766 PolarHBondContact NH2-OD1 3.43Å; R633-D766 IonicContact NH2-OD2 3.8Å; R633-D766 PolarHBondContact NH2-OD2 3.28Å
634	P	83.5	Confident	82.5	Confident	71 Å²	71	64.1 Å²	64.1	46%	0.461	34%	0.337	S	S	.	.			trans	-68.3	-33.1	-173.7	25.9	-33.7	0	0	0	112.9	E632 K636 F644	E632-P634 VanDerWaalsContact C-CD 3.45Å; E632-P634 VanDerWaalsContact O-CD 3.27Å; E632-P634 WeakPolarHBondContact O-CD 3.48Å; P634-K636 PolarHBondContact O-N 3.39Å; P634-F644 WeakPolarHBondContact CD-O 3.41Å
635	F	85	Confident	82.4	Confident	62 Å²	62	62.8 Å²	62.8	27%	0.272	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	91.6	-176.7	-58.1	-72.4	0	0	0	110.4	G643 F644 L647 L650	F635-G643 CarbonylContact O-C 3.49Å; F635-G643 WeakPolarHBondContact O-CA 3.5Å; F635-F644 HydrophobicContact CB-CB 4.37Å; F635-F644 PolarHBondContact N-O 3.37Å; F635-F644 WeakPolarHBondContact O-CD2 3.43Å; F635-F644 PolarHBondContact O-N 3.25Å; F635-L647 HydrophobicContact CD1-CB 3.88Å; F635-L647 HydrophobicContact CD1-CD1 3.81Å; F635-L647 HydrophobicContact CD1-CG 4.4Å; F635-L647 HydrophobicContact CD2-CB 4.5Å; F635-L647 VanDerWaalsContact CD2-N 3.35Å; F635-L647 HydrophobicContact CE1-CB 3.74Å; F635-L647 HydrophobicContact CE1-CD1 4.18Å; F635-L647 HydrophobicContact CE1-CG 4.39Å; F635-L647 HydrophobicContact CE2-CB 4.37Å; F635-L647 HydrophobicContact CG-CB 4.26Å; F635-L647 HydrophobicContact CZ-CB 4Å; F635-L650 HydrophobicContact CB-CB 4.06Å; F635-L650 HydrophobicContact CB-CD2 3.87Å
636	K	83.8	Confident	82.3	Confident	137 Å²	137	64.5 Å²	64.5	60%	0.596	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.6	-178.2	-63.6	175.1	-175.4	173.3	0	111.7	R633 P634 Q638	R633-K636 WeakPolarHBondContact O-CE 3.41Å; P634-K636 PolarHBondContact O-N 3.39Å; K636-Q638 PolarHBondContact O-N 3.07Å
637	C	84.7	Confident	82.4	Confident	1 Å²	1	67 Å²	67	1%	0.007	35%	0.35	C	S	.	.			trans	-70.6	126.7	171.2	-178.8	0	0	0	0	110.4	T639 N641 K642 F644 L650 Y654 H657	C637-T639 VanDerWaalsContact C-N 3.27Å; C637-T639 PolarHBondContact O-N 3.21Å; C637-T639 PolarHBondContact SG-N 2.96Å; C637-N641 WeakPolarHBondContact O-CA 3.48Å; C637-N641 PolarHBondContact O-N 2.9Å; C637-K642 PolarHBondContact N-O 2.89Å; C637-F644 HydrophobicContact CB-CE2 4.46Å; C637-L650 VanDerWaalsContact CA-CD1 3.49Å; C637-L650 HydrophobicContact CB-CD1 3.57Å; C637-Y654 WeakPolarHBondContact SG-CE1 3.4Å; C637-H657 VanDerWaalsContact SG-CD2 3.54Å
638	Q	83.2	Confident	82.3	Confident	171 Å²	171	65.8 Å²	65.8	80%	0.799	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.8	179	-64.4	179.7	5.4	0	0	111.7	K636 Y654	K636-Q638 PolarHBondContact O-N 3.07Å; Q638-Y654 PolarHBondContact N-OH 3.24Å
639	T	82.2	Confident	82.3	Confident	63 Å²	63	64 Å²	64	39%	0.387	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-41.7	-176.4	-41.2	0	0	0	0	113.6	C637 H657	C637-T639 VanDerWaalsContact C-N 3.27Å; C637-T639 PolarHBondContact O-N 3.21Å; C637-T639 PolarHBondContact SG-N 2.96Å; T639-H657 HydrophobicContact CG2-CB 4.25Å
640	C	83	Confident	82.5	Confident	44 Å²	44	61.1 Å²	61.1	30%	0.297	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-4.2	-176.6	71.1	0	0	0	0	115.4	K642 H653 H657	C640-K642 PolarHBondContact O-N 3.41Å; C640-K642 VanDerWaalsContact O-N 3.14Å; C640-K642 PolarHBondContact SG-N 3.07Å; C640-H653 PolarHBondContact SG-NE2 2.92Å; C640-H657 WeakPolarHBondContact CB-NE2 3.38Å; C640-H657 PolarHBondContact SG-NE2 2.75Å
641	N	81.8	Confident	82.7	Confident	73 Å²	73	63.1 Å²	63.1	39%	0.39	33%	0.331	S	S	.	.			trans	63.2	4.8	-175.6	-57.7	-90.1	0	0	0	116.2	R19 C637 G643	R19-N641 PolarHBondContact NH2-OD1 2.84Å; C637-N641 WeakPolarHBondContact O-CA 3.48Å; C637-N641 PolarHBondContact O-N 2.9Å; N641-G643 PolarHBondContact O-N 3.23Å
642	K	80.5	Confident	82.7	Confident	104 Å²	104	64.5 Å²	64.5	45%	0.452	32%	0.324	S	S	.	.			trans	-60.9	130.3	168.8	-71.7	-158.2	171.6	-139.3	0	109.7	C637 C640 F644 E763	C637-K642 PolarHBondContact N-O 2.89Å; C640-K642 PolarHBondContact O-N 3.41Å; C640-K642 VanDerWaalsContact O-N 3.14Å; C640-K642 PolarHBondContact SG-N 3.07Å; K642-F644 HydrophobicContact CB-CE2 4.01Å; K642-F644 HydrophobicContact CB-CZ 4.08Å; K642-F644 WeakPolarHBondContact O-CE2 3.28Å; K642-E763 IonicContact NZ-OE1 2.78Å; K642-E763 PolarHBondContact NZ-OE1 3.27Å
643	G	82.1	Confident	82.9	Confident	15 Å²	15	60.8 Å²	60.8	16%	0.155	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	144.4	177.9	0	0	0	0	0	111.6	R633 F635 N641	R633-G643 WeakPolarHBondContact CD-O 3.42Å; R633-G643 PolarHBondContact NE-O 2.93Å; F635-G643 CarbonylContact O-C 3.49Å; F635-G643 WeakPolarHBondContact O-CA 3.5Å; N641-G643 PolarHBondContact O-N 3.23Å
644	F	82	Confident	82.8	Confident	29 Å²	29	60.8 Å²	60.8	13%	0.127	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	150.6	-179.5	-60.4	-86.8	0	0	0	110.7	R633 P634 F635 C637 K642 Q646 H649 L650 H653	R633-F644 CarbonylContact C-O 3.56Å; R633-F644 WeakPolarHBondContact CA-O 3.14Å; P634-F644 WeakPolarHBondContact CD-O 3.41Å; F635-F644 HydrophobicContact CB-CB 4.37Å; F635-F644 PolarHBondContact N-O 3.37Å; F635-F644 WeakPolarHBondContact O-CD2 3.43Å; F635-F644 PolarHBondContact O-N 3.25Å; C637-F644 HydrophobicContact CB-CE2 4.46Å; K642-F644 HydrophobicContact CB-CE2 4.01Å; K642-F644 HydrophobicContact CB-CZ 4.08Å; K642-F644 WeakPolarHBondContact O-CE2 3.28Å; F644-Q646 VanDerWaalsContact C-N 3.3Å; F644-H649 HydrophobicContact CB-CB 4.22Å; F644-H649 HydrophobicContact CD1-CB 4.01Å; F644-H649 HydrophobicContact CG-CB 4.36Å; F644-L650 HydrophobicContact CB-CB 4.44Å; F644-L650 HydrophobicContact CD2-CB 3.99Å; F644-L650 HydrophobicContact CD2-CD1 3.91Å; F644-L650 HydrophobicContact CE2-CD1 4.08Å; F644-L650 HydrophobicContact CG-CB 4.4Å; F644-H653 HydrophobicContact CE1-CB 4.13Å; F644-H653 HydrophobicContact CE2-CB 3.99Å; F644-H653 AromaticContact CE2-CD2 3.34Å; F644-H653 WeakPolarHBondContact CE2-CD2 3.49Å; F644-H653 AromaticContact CE2-CG 3.68Å; F644-H653 AromaticContact CE2-NE2 3.99Å; F644-H653 HydrophobicContact CZ-CB 3.61Å; F644-H653 AromaticContact CZ-CD2 3.42Å; F644-H653 VanDerWaalsContact CZ-CD2 3.42Å; F644-H653 WeakPolarHBondContact CZ-CD2 3.49Å; F644-H653 AromaticContact CZ-CG 3.29Å; F644-H653 AromaticContact CZ-ND1 3.78Å; F644-H653 AromaticContact CZ-NE2 3.92Å
645	T	81.5	Confident	82.7	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.018	30%	0.296	C	S	.	.	S	Bend	trans	-71.2	-24.2	176.1	49	0	0	0	0	112.7	R627 V628 R633	R627-T645 HydrophobicContact CB-CG2 4.16Å; R627-T645 WeakPolarHBondContact CD-O 3.31Å; R627-T645 PolarHBondContact NH1-O 2.96Å; V628-T645 HydrophobicContact CG2-CG2 4.42Å; R633-T645 HydrophobicContact CG-CG2 4.46Å
646	Q	83.8	Confident	82.4	Confident	58 Å²	58	58.7 Å²	58.7	27%	0.271	30%	0.296	S	S	.	.	S	Bend	trans	-137.5	146.6	-173.2	-49.1	-168.7	39.7	0	0	112.3	V624 F644 H649 L650 D769	V624-Q646 HydrophobicContact CG1-CG 3.69Å; F644-Q646 VanDerWaalsContact C-N 3.3Å; Q646-H649 HydrophobicContact CB-CB 4.49Å; Q646-H649 PolarHBondContact NE2-CE1 3.33Å; Q646-H649 PolarHBondContact O-N 3.45Å; Q646-L650 PolarHBondContact O-N 2.88Å; Q646-D769 PolarHBondContact NE2-OD2 3.36Å
647	L	85.5	Confident	82.2	Confident	86 Å²	86	55.8 Å²	55.8	45%	0.45	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-39.6	179.6	-178.4	59.2	0	0	0	112.5	F635 H649 L650 Q651	F635-L647 HydrophobicContact CD1-CB 3.88Å; F635-L647 HydrophobicContact CD1-CD1 3.81Å; F635-L647 HydrophobicContact CD1-CG 4.4Å; F635-L647 HydrophobicContact CD2-CB 4.5Å; F635-L647 VanDerWaalsContact CD2-N 3.35Å; F635-L647 HydrophobicContact CE1-CB 3.74Å; F635-L647 HydrophobicContact CE1-CD1 4.18Å; F635-L647 HydrophobicContact CE1-CG 4.39Å; F635-L647 HydrophobicContact CE2-CB 4.37Å; F635-L647 HydrophobicContact CG-CB 4.26Å; F635-L647 HydrophobicContact CZ-CB 4Å; L647-H649 PolarHBondContact O-N 3.4Å; L647-L650 HydrophobicContact CD1-CD2 4.36Å; L647-L650 WeakPolarHBondContact O-CB 3.25Å; L647-L650 PolarHBondContact O-N 3.1Å; L647-L650 VanDerWaalsContact O-N 3.09Å; L647-Q651 PolarHBondContact O-N 3.37Å
648	A	81.8	Confident	81.9	Confident	42 Å²	42	59.7 Å²	59.7	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-59.3	-32.3	176.4	0	0	0	0	0	112.2	Q651 K652	A648-Q651 PolarHBondContact O-N 2.99Å; A648-K652 WeakPolarHBondContact O-CB 3.07Å; A648-K652 VanDerWaalsContact O-CG 3.25Å; A648-K652 WeakPolarHBondContact O-CG 3.28Å; A648-K652 PolarHBondContact O-N 2.85Å
649	H	81.6	Confident	81.5	Confident	10 Å²	10	54 Å²	54	5%	0.046	30%	0.295	C	S	.	.	H	α-helix	trans	-74.7	-35.4	176.6	-62.3	163.3	0	0	0	111.9	F644 Q646 L647 H653 D769 D772	F644-H649 HydrophobicContact CB-CB 4.22Å; F644-H649 HydrophobicContact CD1-CB 4.01Å; F644-H649 HydrophobicContact CG-CB 4.36Å; Q646-H649 HydrophobicContact CB-CB 4.49Å; Q646-H649 PolarHBondContact NE2-CE1 3.33Å; Q646-H649 PolarHBondContact O-N 3.45Å; L647-H649 PolarHBondContact O-N 3.4Å; H649-H653 WeakPolarHBondContact O-CB 3.35Å; H649-H653 PolarHBondContact O-N 2.84Å; H649-D769 IonicContact CE1-OD1 2.6Å; H649-D769 PolarHBondContact CE1-OD1 2.95Å; H649-D769 IonicContact CE1-OD2 2.84Å; H649-D769 IonicContact ND1-OD1 2.8Å; H649-D769 PolarHBondContact ND1-OD1 3.03Å; H649-D769 VanDerWaalsContact ND1-OD1 3.09Å; H649-D772 IonicContact NE2-OD2 2.58Å
650	L	85.9	Confident	81.1	Confident	13 Å²	13	56.3 Å²	56.3	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-40.6	168.8	175.7	58.9	0	0	0	112.1	F635 C637 F644 Q646 L647 H653 Y654	F635-L650 HydrophobicContact CB-CB 4.06Å; F635-L650 HydrophobicContact CB-CD2 3.87Å; C637-L650 VanDerWaalsContact CA-CD1 3.49Å; C637-L650 HydrophobicContact CB-CD1 3.57Å; F644-L650 HydrophobicContact CB-CB 4.44Å; F644-L650 HydrophobicContact CD2-CB 3.99Å; F644-L650 HydrophobicContact CD2-CD1 3.91Å; F644-L650 HydrophobicContact CE2-CD1 4.08Å; F644-L650 HydrophobicContact CG-CB 4.4Å; Q646-L650 PolarHBondContact O-N 2.88Å; L647-L650 HydrophobicContact CD1-CD2 4.36Å; L647-L650 WeakPolarHBondContact O-CB 3.25Å; L647-L650 PolarHBondContact O-N 3.1Å; L647-L650 VanDerWaalsContact O-N 3.09Å; L650-H653 CarbonylContact O-C 3.5Å; L650-H653 WeakPolarHBondContact O-CB 3.18Å; L650-H653 PolarHBondContact O-N 3.19Å; L650-Y654 HydrophobicContact CD1-CD2 3.87Å; L650-Y654 HydrophobicContact CD1-CE2 3.53Å; L650-Y654 HydrophobicContact CD2-CE2 4.01Å; L650-Y654 HydrophobicContact CG-CD2 3.92Å; L650-Y654 HydrophobicContact CG-CE2 3.61Å; L650-Y654 WeakPolarHBondContact O-CD2 3.4Å; L650-Y654 PolarHBondContact O-N 3.17Å
651	Q	83	Confident	80.9	Confident	119 Å²	119	58.8 Å²	58.8	56%	0.556	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-50.6	175.3	-72.2	174	-25.1	0	0	112.2	L647 A648 H653 Y654	L647-Q651 PolarHBondContact O-N 3.37Å; A648-Q651 PolarHBondContact O-N 2.99Å; Q651-H653 PolarHBondContact O-N 3Å; Q651-H653 VanDerWaalsContact O-N 3.12Å; Q651-Y654 PolarHBondContact O-N 3.43Å; Q651-Y654 VanDerWaalsContact O-N 3.12Å
652	K	79.8	Confident	80.7	Confident	76 Å²	76	58.8 Å²	58.8	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-53.9	-30.7	171.9	-71	174.8	-166.4	174	0	111.5	A648 D772	A648-K652 WeakPolarHBondContact O-CB 3.07Å; A648-K652 VanDerWaalsContact O-CG 3.25Å; A648-K652 WeakPolarHBondContact O-CG 3.28Å; A648-K652 PolarHBondContact O-N 2.85Å; K652-D772 IonicContact NZ-OD1 3.78Å; K652-D772 PolarHBondContact NZ-OD1 3.26Å; K652-D772 IonicContact NZ-OD2 2.69Å; K652-D772 PolarHBondContact NZ-OD2 2.9Å
653	H	83.5	Confident	80.7	Confident	29 Å²	29	56.6 Å²	56.6	13%	0.134	30%	0.302	C	S	.	.	H	α-helix	trans	-81.7	-33.5	177.5	174.4	65.9	0	0	0	114.6	C640 F644 H649 L650 Q651 L655 V656 H657	C640-H653 PolarHBondContact SG-NE2 2.92Å; F644-H653 HydrophobicContact CE1-CB 4.13Å; F644-H653 HydrophobicContact CE2-CB 3.99Å; F644-H653 AromaticContact CE2-CD2 3.34Å; F644-H653 WeakPolarHBondContact CE2-CD2 3.49Å; F644-H653 AromaticContact CE2-CG 3.68Å; F644-H653 AromaticContact CE2-NE2 3.99Å; F644-H653 HydrophobicContact CZ-CB 3.61Å; F644-H653 AromaticContact CZ-CD2 3.42Å; F644-H653 VanDerWaalsContact CZ-CD2 3.42Å; F644-H653 WeakPolarHBondContact CZ-CD2 3.49Å; F644-H653 AromaticContact CZ-CG 3.29Å; F644-H653 AromaticContact CZ-ND1 3.78Å; F644-H653 AromaticContact CZ-NE2 3.92Å; H649-H653 WeakPolarHBondContact O-CB 3.35Å; H649-H653 PolarHBondContact O-N 2.84Å; L650-H653 CarbonylContact O-C 3.5Å; L650-H653 WeakPolarHBondContact O-CB 3.18Å; L650-H653 PolarHBondContact O-N 3.19Å; Q651-H653 PolarHBondContact O-N 3Å; Q651-H653 VanDerWaalsContact O-N 3.12Å; H653-L655 PolarHBondContact O-N 3.26Å; H653-V656 WeakPolarHBondContact O-CA 3.41Å; H653-V656 WeakPolarHBondContact O-CB 3.48Å; H653-V656 WeakPolarHBondContact O-CG2 3.15Å; H653-V656 PolarHBondContact O-N 3.4Å; H653-H657 AromaticContact CE1-NE2 3.7Å; H653-H657 AromaticContact NE2-CD2 3.65Å; H653-H657 AromaticContact NE2-NE2 3.35Å; H653-H657 PolarHBondContact NE2-NE2 3.24Å
654	Y	81.4	Confident	80.7	Confident	71 Å²	71	59.2 Å²	59.2	28%	0.278	31%	0.31	S	S	.	.	H	α-helix	trans	-59.9	-30.7	176.8	-89.9	-63.1	0	0	0	112.7	C637 Q638 L650 Q651 V656 H657 T658	C637-Y654 WeakPolarHBondContact SG-CE1 3.4Å; Q638-Y654 PolarHBondContact N-OH 3.24Å; L650-Y654 HydrophobicContact CD1-CD2 3.87Å; L650-Y654 HydrophobicContact CD1-CE2 3.53Å; L650-Y654 HydrophobicContact CD2-CE2 4.01Å; L650-Y654 HydrophobicContact CG-CD2 3.92Å; L650-Y654 HydrophobicContact CG-CE2 3.61Å; L650-Y654 WeakPolarHBondContact O-CD2 3.4Å; L650-Y654 PolarHBondContact O-N 3.17Å; Q651-Y654 PolarHBondContact O-N 3.43Å; Q651-Y654 VanDerWaalsContact O-N 3.12Å; Y654-V656 PolarHBondContact O-N 2.82Å; Y654-V656 VanDerWaalsContact O-N 3.17Å; Y654-H657 WeakPolarHBondContact O-CA 3.22Å; Y654-H657 WeakPolarHBondContact O-CB 3.36Å; Y654-H657 PolarHBondContact O-N 2.7Å; Y654-T658 PolarHBondContact O-N 2.86Å
655	L	80.3	Confident	80.8	Confident	43 Å²	43	57.9 Å²	57.9	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-59.4	-22.3	171.2	-62.4	173.8	0	0	0	113.6	H653 H657 G659 E660 S673	H653-L655 PolarHBondContact O-N 3.26Å; L655-H657 VanDerWaalsContact C-N 3.33Å; L655-G659 CarbonylContact O-C 3.39Å; L655-G659 WeakPolarHBondContact O-CA 3.47Å; L655-G659 PolarHBondContact O-N 3.01Å; L655-E660 HydrophobicContact CD2-CB 3.92Å; L655-E660 PolarHBondContact O-N 2.73Å; L655-S673 WeakPolarHBondContact CD1-O 3.43Å
656	V	79.2	Confident	81	Confident	46 Å²	46	66.4 Å²	66.4	28%	0.279	34%	0.344	S	S	.	.	H	α-helix	trans	-73.4	-27.5	172.5	-175.1	0	0	0	0	111.4	W13 H653 Y654	W13-V656 HydrophobicContact CD2-CG1 4.21Å; W13-V656 HydrophobicContact CE3-CG1 4.3Å; W13-V656 HydrophobicContact CH2-CB 4.19Å; W13-V656 HydrophobicContact CH2-CG1 3.65Å; W13-V656 HydrophobicContact CH2-CG2 3.76Å; W13-V656 HydrophobicContact CZ2-CB 4.19Å; W13-V656 HydrophobicContact CZ2-CG1 3.51Å; W13-V656 HydrophobicContact CZ2-CG2 3.6Å; W13-V656 HydrophobicContact CZ3-CG1 4.03Å; H653-V656 WeakPolarHBondContact O-CA 3.41Å; H653-V656 WeakPolarHBondContact O-CB 3.48Å; H653-V656 WeakPolarHBondContact O-CG2 3.15Å; H653-V656 PolarHBondContact O-N 3.4Å; Y654-V656 PolarHBondContact O-N 2.82Å; Y654-V656 VanDerWaalsContact O-N 3.17Å
657	H	80.4	Confident	80.9	Confident	76 Å²	76	68.1 Å²	68.1	35%	0.352	36%	0.358	S	S	.	.	H	α-helix	trans	-88.7	-37.8	179.2	-76.7	-57.4	0	0	0	113.4	C637 T639 C640 H653 Y654 L655 G659	C637-H657 VanDerWaalsContact SG-CD2 3.54Å; T639-H657 HydrophobicContact CG2-CB 4.25Å; C640-H657 WeakPolarHBondContact CB-NE2 3.38Å; C640-H657 PolarHBondContact SG-NE2 2.75Å; H653-H657 AromaticContact CE1-NE2 3.7Å; H653-H657 AromaticContact NE2-CD2 3.65Å; H653-H657 AromaticContact NE2-NE2 3.35Å; H653-H657 PolarHBondContact NE2-NE2 3.24Å; Y654-H657 WeakPolarHBondContact O-CA 3.22Å; Y654-H657 WeakPolarHBondContact O-CB 3.36Å; Y654-H657 PolarHBondContact O-N 2.7Å; L655-H657 VanDerWaalsContact C-N 3.33Å; H657-G659 VanDerWaalsContact C-N 3.26Å
658	T	77.1	Confident	80.9	Confident	83 Å²	83	65.7 Å²	65.7	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-75.4	-20	171.3	61.2	0	0	0	0	112.1	Y654 E660	Y654-T658 PolarHBondContact O-N 2.86Å; T658-E660 WeakPolarHBondContact CB-OE2 3.21Å; T658-E660 WeakPolarHBondContact CG2-OE2 3.48Å; T658-E660 PolarHBondContact O-N 2.73Å; T658-E660 WeakPolarHBondContact OG1-CB 3.32Å; T658-E660 VanDerWaalsContact OG1-CG 3.31Å; T658-E660 WeakPolarHBondContact OG1-CG 3.26Å; T658-E660 PolarHBondContact OG1-N 2.84Å; T658-E660 PolarHBondContact OG1-OE2 3.03Å
659	G	74.8	Confident	81	Confident	50 Å²	50	69.7 Å²	69.7	52%	0.515	36%	0.36	S	S	.	.			trans	73.8	2.8	-172.1	0	0	0	0	0	113.2	L655 H657 K661	L655-G659 CarbonylContact O-C 3.39Å; L655-G659 WeakPolarHBondContact O-CA 3.47Å; L655-G659 PolarHBondContact O-N 3.01Å; H657-G659 VanDerWaalsContact C-N 3.26Å; G659-K661 PolarHBondContact O-N 2.99Å
660	E	74.3	Confident	80.9	Confident	113 Å²	113	75.1 Å²	75.1	53%	0.528	38%	0.383	S	S	.	.			trans	-67	130.2	-175	-71.2	167.4	133.4	0	0	111.5	L655 T658	L655-E660 HydrophobicContact CD2-CB 3.92Å; L655-E660 PolarHBondContact O-N 2.73Å; T658-E660 WeakPolarHBondContact CB-OE2 3.21Å; T658-E660 WeakPolarHBondContact CG2-OE2 3.48Å; T658-E660 PolarHBondContact O-N 2.73Å; T658-E660 WeakPolarHBondContact OG1-CB 3.32Å; T658-E660 VanDerWaalsContact OG1-CG 3.31Å; T658-E660 WeakPolarHBondContact OG1-CG 3.26Å; T658-E660 PolarHBondContact OG1-N 2.84Å; T658-E660 PolarHBondContact OG1-OE2 3.03Å
661	K	78	Confident	80.7	Confident	96 Å²	96	80.4 Å²	80.4	42%	0.417	40%	0.402	S	S	.	.			trans	-127.7	85.6	179	-74	152.9	156.1	-111.3	0	106.9	G659 H663 R671 F672	G659-K661 PolarHBondContact O-N 2.99Å; K661-H663 VanDerWaalsContact C-N 3.28Å; K661-H663 PolarHBondContact O-N 3.11Å; K661-R671 HydrophobicContact CB-CB 3.44Å; K661-R671 VanDerWaalsContact CB-CB 3.44Å; K661-R671 HydrophobicContact CD-CB 4.28Å; K661-R671 WeakPolarHBondContact CD-O 3.07Å; K661-R671 HydrophobicContact CG-CB 4.39Å; K661-R671 PolarHBondContact NZ-O 2.99Å; K661-R671 PolarHBondContact O-NE 2.98Å; K661-R671 PolarHBondContact O-NH2 2.99Å; K661-F672 CarbonylContact C-O 3.57Å; K661-F672 WeakPolarHBondContact CA-O 3.44Å
662	P	78.1	Confident	80.5	Confident	72 Å²	72	76.8 Å²	76.8	47%	0.468	39%	0.385	S	S	.	.			trans	-71.3	-21.5	-173.9	25.6	-32.8	0	0	0	113.1
663	H	79.9	Confident	80.4	Confident	58 Å²	58	74.6 Å²	74.6	27%	0.269	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103	-175.2	-52.3	-62.6	0	0	0	111.2	K661 R671 F672 T675 L678	K661-H663 VanDerWaalsContact C-N 3.28Å; K661-H663 PolarHBondContact O-N 3.11Å; H663-R671 CarbonylContact O-C 3.6Å; H663-R671 WeakPolarHBondContact O-CA 3.37Å; H663-F672 PolarHBondContact N-O 2.96Å; H663-F672 PolarHBondContact O-N 2.6Å; H663-T675 PolarHBondContact CD2-N 3.41Å; H663-T675 WeakPolarHBondContact CE1-CG2 3.48Å; H663-L678 HydrophobicContact CB-CB 4.17Å; H663-L678 HydrophobicContact CB-CD2 3.89Å
664	E	83	Confident	80.1	Confident	70 Å²	70	74.2 Å²	74.2	33%	0.327	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.7	177.5	-169.4	163.6	133.1	0	0	112.1	Q666 H669 R671	E664-Q666 PolarHBondContact O-N 2.85Å; E664-H669 IonicContact OE1-CE1 3.75Å; E664-H669 IonicContact OE1-CG 3.09Å; E664-H669 IonicContact OE1-ND1 2.96Å; E664-H669 PolarHBondContact OE1-ND1 3.02Å; E664-R671 HydrophobicContact CB-CG 4.01Å; E664-R671 HydrophobicContact CG-CG 3.81Å; E664-R671 VanDerWaalsContact OE2-CD 3.28Å; E664-R671 WeakPolarHBondContact OE2-CD 3.36Å; E664-R671 WeakPolarHBondContact OE2-CG 3.48Å; E664-R671 IonicContact OE2-CZ 2.82Å; E664-R671 IonicContact OE2-NE 3.81Å; E664-R671 IonicContact OE2-NH1 3.22Å; E664-R671 PolarHBondContact OE2-NH1 2.83Å
665	C	84.9	Confident	80.1	Confident	1 Å²	1	75.1 Å²	75.1	1%	0.007	39%	0.393	C	S	.	.			trans	-82.8	111.2	170.7	179.6	0	0	0	0	110.7	V667 C668 H669 K670 F672 L678 H681 H685	C665-V667 PolarHBondContact O-N 2.85Å; C665-C668 PolarHBondContact O-N 3.26Å; C665-C668 VanDerWaalsContact O-N 3.15Å; C665-H669 WeakPolarHBondContact O-CA 3.39Å; C665-H669 PolarHBondContact O-N 3.33Å; C665-K670 WeakPolarHBondContact CB-O 3.34Å; C665-K670 PolarHBondContact N-O 2.73Å; C665-F672 HydrophobicContact CB-CE2 4.18Å; C665-L678 HydrophobicContact CB-CD1 3.65Å; C665-H681 VanDerWaalsContact SG-CD2 3.58Å; C665-H685 PolarHBondContact SG-NE2 2.78Å
666	Q	84.2	Confident	80	Confident	182 Å²	182	75 Å²	75	85%	0.85	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.8	179.5	-64.9	176.3	-7.3	0	0	114.5	E664	E664-Q666 PolarHBondContact O-N 2.85Å
667	V	83	Confident	80.1	Confident	94 Å²	94	76.4 Å²	76.4	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-21.3	-178.1	-169.8	0	0	0	0	113	C665 H685	C665-V667 PolarHBondContact O-N 2.85Å; V667-H685 HydrophobicContact CG1-CB 4.27Å; V667-H685 WeakPolarHBondContact CG1-ND1 3.47Å
668	C	85.5	Confident	80.2	Confident	35 Å²	35	74.2 Å²	74.2	24%	0.236	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.9	13.9	-176.9	69.8	0	0	0	0	115.5	C665 K670 H681 H685	C665-C668 PolarHBondContact O-N 3.26Å; C665-C668 VanDerWaalsContact O-N 3.15Å; C668-K670 PolarHBondContact O-N 2.92Å; C668-H681 PolarHBondContact SG-NE2 3.35Å; C668-H685 WeakPolarHBondContact CB-CE1 3.34Å; C668-H685 PolarHBondContact SG-CE1 2.88Å; C668-H685 PolarHBondContact SG-NE2 3.22Å
669	H	82.5	Confident	80.5	Confident	127 Å²	127	75.4 Å²	75.4	59%	0.588	39%	0.39	S	S	*	.			trans	54.1	15.4	177.9	-56	-72.3	0	0	0	115.8	E664 C665 R671	E664-H669 IonicContact OE1-CE1 3.75Å; E664-H669 IonicContact OE1-CG 3.09Å; E664-H669 IonicContact OE1-ND1 2.96Å; E664-H669 PolarHBondContact OE1-ND1 3.02Å; C665-H669 WeakPolarHBondContact O-CA 3.39Å; C665-H669 PolarHBondContact O-N 3.33Å; H669-R671 PolarHBondContact O-N 3.24Å
670	K	81.1	Confident	80.7	Confident	123 Å²	123	74.7 Å²	74.7	54%	0.535	38%	0.376	S	S	.	.			trans	-72.8	125.1	173.9	-70.7	177.5	-173.2	171.4	0	109.2	C665 C668 F672	C665-K670 WeakPolarHBondContact CB-O 3.34Å; C665-K670 PolarHBondContact N-O 2.73Å; C668-K670 PolarHBondContact O-N 2.92Å; K670-F672 HydrophobicContact CB-CE2 3.78Å; K670-F672 HydrophobicContact CB-CZ 3.96Å; K670-F672 VanDerWaalsContact O-CD2 3.28Å; K670-F672 WeakPolarHBondContact O-CD2 3.4Å; K670-F672 WeakPolarHBondContact O-CE2 3.23Å
671	R	81.1	Confident	81.1	Confident	124 Å²	124	70.2 Å²	70.2	47%	0.468	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.3	-177.4	-54.3	-177.9	68	123.9	-11.9	111.9	K661 H663 E664 H669	K661-R671 HydrophobicContact CB-CB 3.44Å; K661-R671 VanDerWaalsContact CB-CB 3.44Å; K661-R671 HydrophobicContact CD-CB 4.28Å; K661-R671 WeakPolarHBondContact CD-O 3.07Å; K661-R671 HydrophobicContact CG-CB 4.39Å; K661-R671 PolarHBondContact NZ-O 2.99Å; K661-R671 PolarHBondContact O-NE 2.98Å; K661-R671 PolarHBondContact O-NH2 2.99Å; H663-R671 CarbonylContact O-C 3.6Å; H663-R671 WeakPolarHBondContact O-CA 3.37Å; E664-R671 HydrophobicContact CB-CG 4.01Å; E664-R671 HydrophobicContact CG-CG 3.81Å; E664-R671 VanDerWaalsContact OE2-CD 3.28Å; E664-R671 WeakPolarHBondContact OE2-CD 3.36Å; E664-R671 WeakPolarHBondContact OE2-CG 3.48Å; E664-R671 IonicContact OE2-CZ 2.82Å; E664-R671 IonicContact OE2-NE 3.81Å; E664-R671 IonicContact OE2-NH1 3.22Å; E664-R671 PolarHBondContact OE2-NH1 2.83Å; H669-R671 PolarHBondContact O-N 3.24Å
672	F	78.4	Confident	81.4	Confident	44 Å²	44	69 Å²	69	19%	0.193	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.2	-174.9	-60.4	-88.5	0	0	0	111.7	K661 H663 C665 K670 N677 L678 H681	K661-F672 CarbonylContact C-O 3.57Å; K661-F672 WeakPolarHBondContact CA-O 3.44Å; H663-F672 PolarHBondContact N-O 2.96Å; H663-F672 PolarHBondContact O-N 2.6Å; C665-F672 HydrophobicContact CB-CE2 4.18Å; K670-F672 HydrophobicContact CB-CE2 3.78Å; K670-F672 HydrophobicContact CB-CZ 3.96Å; K670-F672 VanDerWaalsContact O-CD2 3.28Å; K670-F672 WeakPolarHBondContact O-CD2 3.4Å; K670-F672 WeakPolarHBondContact O-CE2 3.23Å; F672-N677 HydrophobicContact CB-CB 4.21Å; F672-N677 HydrophobicContact CD1-CB 4.11Å; F672-N677 HydrophobicContact CG-CB 4.47Å; F672-L678 HydrophobicContact CD2-CB 4.35Å; F672-L678 HydrophobicContact CD2-CD1 4.04Å; F672-L678 HydrophobicContact CE2-CD1 4.29Å; F672-H681 HydrophobicContact CE1-CB 4.06Å; F672-H681 HydrophobicContact CE2-CB 4.06Å; F672-H681 AromaticContact CE2-CD2 3.31Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.39Å; F672-H681 AromaticContact CE2-CG 3.68Å; F672-H681 AromaticContact CE2-NE2 3.93Å; F672-H681 HydrophobicContact CZ-CB 3.65Å; F672-H681 AromaticContact CZ-CD2 3.38Å; F672-H681 WeakPolarHBondContact CZ-CD2 3.31Å; F672-H681 AromaticContact CZ-CG 3.27Å; F672-H681 AromaticContact CZ-ND1 3.72Å; F672-H681 AromaticContact CZ-NE2 3.86Å
673	S	76.9	Confident	81.6	Confident	30 Å²	30	67.7 Å²	67.7	21%	0.21	34%	0.338	C	S	.	.	S	Bend	trans	-87.8	2.8	179.5	53.3	0	0	0	0	114.4	L655	L655-S673 WeakPolarHBondContact CD1-O 3.43Å
674	S	78	Confident	81.6	Confident	21 Å²	21	70.1 Å²	70.1	15%	0.147	35%	0.352	C	S	.	.	S	Bend	trans	-155.7	148.2	176.2	-176.1	0	0	0	0	111.7	S676 N677 L678	S674-S676 VanDerWaalsContact C-N 3.34Å; S674-S676 PolarHBondContact O-N 2.88Å; S674-S676 PolarHBondContact OG-OG 3.05Å; S674-N677 PolarHBondContact O-N 2.86Å; S674-L678 PolarHBondContact O-N 2.8Å; S674-L678 VanDerWaalsContact O-N 3.13Å
675	T	81.3	Confident	81.6	Confident	90 Å²	90	70.9 Å²	70.9	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-58.8	-40	175.6	48.7	0	0	0	0	112.6	H663 N677 L678 K679	H663-T675 PolarHBondContact CD2-N 3.41Å; H663-T675 WeakPolarHBondContact CE1-CG2 3.48Å; T675-N677 VanDerWaalsContact C-N 3.34Å; T675-N677 PolarHBondContact O-N 2.69Å; T675-L678 PolarHBondContact O-N 2.74Å; T675-L678 VanDerWaalsContact O-N 3.16Å; T675-K679 WeakPolarHBondContact O-CB 3.45Å; T675-K679 PolarHBondContact O-N 2.78Å
676	S	78.5	Confident	81.3	Confident	41 Å²	41	74.4 Å²	74.4	29%	0.287	38%	0.381	S	S	.	.	H	α-helix	trans	-67.1	-34.4	178.7	59.6	0	0	0	0	112.4	S674 K679 T680	S674-S676 VanDerWaalsContact C-N 3.34Å; S674-S676 PolarHBondContact O-N 2.88Å; S674-S676 PolarHBondContact OG-OG 3.05Å; S676-K679 PolarHBondContact O-N 3.49Å; S676-T680 WeakPolarHBondContact O-CB 3.29Å; S676-T680 WeakPolarHBondContact O-CG2 3.5Å; S676-T680 PolarHBondContact O-N 2.79Å; S676-T680 PolarHBondContact O-OG1 2.91Å
677	N	80.2	Confident	81	Confident	75 Å²	75	67.7 Å²	67.7	40%	0.401	36%	0.36	S	S	.	.	H	α-helix	trans	-67.5	-37.2	171.5	-73.6	-27.2	0	0	0	111.8	F672 S674 T675 T680 H681	F672-N677 HydrophobicContact CB-CB 4.21Å; F672-N677 HydrophobicContact CD1-CB 4.11Å; F672-N677 HydrophobicContact CG-CB 4.47Å; S674-N677 PolarHBondContact O-N 2.86Å; T675-N677 VanDerWaalsContact C-N 3.34Å; T675-N677 PolarHBondContact O-N 2.69Å; N677-T680 PolarHBondContact O-OG1 3.03Å; N677-H681 WeakPolarHBondContact O-CB 3.38Å; N677-H681 PolarHBondContact O-N 2.87Å
678	L	84.1	Confident	80.8	Confident	30 Å²	30	68.1 Å²	68.1	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-67.9	-47.3	171.9	176.7	59.2	0	0	0	111.6	H663 C665 F672 S674 T675 T680 H681 L682	H663-L678 HydrophobicContact CB-CB 4.17Å; H663-L678 HydrophobicContact CB-CD2 3.89Å; C665-L678 HydrophobicContact CB-CD1 3.65Å; F672-L678 HydrophobicContact CD2-CB 4.35Å; F672-L678 HydrophobicContact CD2-CD1 4.04Å; F672-L678 HydrophobicContact CE2-CD1 4.29Å; S674-L678 PolarHBondContact O-N 2.8Å; S674-L678 VanDerWaalsContact O-N 3.13Å; T675-L678 PolarHBondContact O-N 2.74Å; T675-L678 VanDerWaalsContact O-N 3.16Å; L678-T680 PolarHBondContact O-N 2.86Å; L678-H681 CarbonylContact O-C 3.54Å; L678-H681 WeakPolarHBondContact O-CA 3.21Å; L678-H681 WeakPolarHBondContact O-CB 3.24Å; L678-H681 PolarHBondContact O-N 3.43Å; L678-L682 HydrophobicContact CD1-CD1 4.14Å; L678-L682 HydrophobicContact CD1-CD2 4.44Å; L678-L682 HydrophobicContact CD1-CG 4Å; L678-L682 HydrophobicContact CG-CD1 3.99Å; L678-L682 HydrophobicContact CG-CG 4.34Å; L678-L682 WeakPolarHBondContact O-CG 3.34Å; L678-L682 PolarHBondContact O-N 3.45Å
679	K	81.8	Confident	80.6	Confident	108 Å²	108	72 Å²	72	47%	0.47	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-45.2	178.2	-172.7	-179	176.8	-168.6	0	111.7	T675 S676 H681 L682 R683 E775	T675-K679 WeakPolarHBondContact O-CB 3.45Å; T675-K679 PolarHBondContact O-N 2.78Å; S676-K679 PolarHBondContact O-N 3.49Å; K679-H681 VanDerWaalsContact C-N 3.35Å; K679-L682 PolarHBondContact O-N 2.88Å; K679-R683 PolarHBondContact O-N 3.07Å; K679-E775 IonicContact NZ-OE1 3.18Å; K679-E775 PolarHBondContact NZ-OE1 2.88Å
680	T	80.3	Confident	80.6	Confident	35 Å²	35	69.6 Å²	69.6	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-74	-22.5	175.9	56.3	0	0	0	0	113.8	S676 N677 L678 Q702	S676-T680 WeakPolarHBondContact O-CB 3.29Å; S676-T680 WeakPolarHBondContact O-CG2 3.5Å; S676-T680 PolarHBondContact O-N 2.79Å; S676-T680 PolarHBondContact O-OG1 2.91Å; N677-T680 PolarHBondContact O-OG1 3.03Å; L678-T680 PolarHBondContact O-N 2.86Å; T680-Q702 HydrophobicContact CG2-CG 4.49Å
681	H	83.2	Confident	80.5	Confident	19 Å²	19	65.6 Å²	65.6	9%	0.088	35%	0.346	C	S	.	.	H	α-helix	trans	-75.8	-38	169.4	173.5	63.5	0	0	0	112.6	C665 C668 F672 N677 L678 K679 R683 L684 H685	C665-H681 VanDerWaalsContact SG-CD2 3.58Å; C668-H681 PolarHBondContact SG-NE2 3.35Å; F672-H681 HydrophobicContact CE1-CB 4.06Å; F672-H681 HydrophobicContact CE2-CB 4.06Å; F672-H681 AromaticContact CE2-CD2 3.31Å; F672-H681 WeakPolarHBondContact CE2-CD2 3.39Å; F672-H681 AromaticContact CE2-CG 3.68Å; F672-H681 AromaticContact CE2-NE2 3.93Å; F672-H681 HydrophobicContact CZ-CB 3.65Å; F672-H681 AromaticContact CZ-CD2 3.38Å; F672-H681 WeakPolarHBondContact CZ-CD2 3.31Å; F672-H681 AromaticContact CZ-CG 3.27Å; F672-H681 AromaticContact CZ-ND1 3.72Å; F672-H681 AromaticContact CZ-NE2 3.86Å; N677-H681 WeakPolarHBondContact O-CB 3.38Å; N677-H681 PolarHBondContact O-N 2.87Å; L678-H681 CarbonylContact O-C 3.54Å; L678-H681 WeakPolarHBondContact O-CA 3.21Å; L678-H681 WeakPolarHBondContact O-CB 3.24Å; L678-H681 PolarHBondContact O-N 3.43Å; K679-H681 VanDerWaalsContact C-N 3.35Å; H681-R683 PolarHBondContact O-N 3.39Å; H681-L684 WeakPolarHBondContact O-CB 3.41Å; H681-L684 PolarHBondContact O-N 3.42Å; H681-H685 AromaticContact CD2-NE2 3.16Å; H681-H685 PolarHBondContact CD2-NE2 2.68Å; H681-H685 AromaticContact CE1-NE2 2.77Å; H681-H685 PolarHBondContact CE1-NE2 2.8Å; H681-H685 AromaticContact ND1-NE2 3.84Å; H681-H685 AromaticContact NE2-CD2 3.76Å; H681-H685 AromaticContact NE2-NE2 2.17Å; H681-H685 PolarHBondContact NE2-NE2 2.93Å
682	L	82.5	Confident	80.6	Confident	69 Å²	69	64.4 Å²	64.4	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-31.6	177.3	-73	167.3	0	0	0	112.4	L678 K679 L684 H685 S686	L678-L682 HydrophobicContact CD1-CD1 4.14Å; L678-L682 HydrophobicContact CD1-CD2 4.44Å; L678-L682 HydrophobicContact CD1-CG 4Å; L678-L682 HydrophobicContact CG-CD1 3.99Å; L678-L682 HydrophobicContact CG-CG 4.34Å; L678-L682 WeakPolarHBondContact O-CG 3.34Å; L678-L682 PolarHBondContact O-N 3.45Å; K679-L682 PolarHBondContact O-N 2.88Å; L682-L684 PolarHBondContact O-N 2.85Å; L682-L684 VanDerWaalsContact O-N 3.14Å; L682-H685 PolarHBondContact O-N 2.65Å; L682-S686 PolarHBondContact O-N 3.25Å
683	R	83.1	Confident	80.7	Confident	46 Å²	46	62.5 Å²	62.5	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-57.9	-21.2	168.8	-68	-179.4	-179.4	169.2	-0.1	114.1	K679 H681 G687 E688 Y691 T701	K679-R683 PolarHBondContact O-N 3.07Å; H681-R683 PolarHBondContact O-N 3.39Å; R683-G687 CarbonylContact O-C 3.47Å; R683-G687 WeakPolarHBondContact O-CA 3.16Å; R683-G687 PolarHBondContact O-N 2.99Å; R683-G687 VanDerWaalsContact O-N 3.1Å; R683-E688 HydrophobicContact CB-CB 4.36Å; R683-E688 HydrophobicContact CG-CB 4.3Å; R683-E688 PolarHBondContact O-N 2.93Å; R683-Y691 PolarHBondContact NH1-OH 3.2Å; R683-T701 PolarHBondContact NH1-O 2.99Å
684	L	80.3	Confident	81	Confident	108 Å²	108	68.3 Å²	68.3	57%	0.565	36%	0.36	S	S	*	.	H	α-helix	trans	-77.7	-26.1	173.3	-61	166	0	0	0	112.6	H681 L682 T701	H681-L684 WeakPolarHBondContact O-CB 3.41Å; H681-L684 PolarHBondContact O-N 3.42Å; L682-L684 PolarHBondContact O-N 2.85Å; L682-L684 VanDerWaalsContact O-N 3.14Å; L684-T701 HydrophobicContact CD2-CG2 4.03Å
685	H	82.3	Confident	81.1	Confident	86 Å²	86	72.2 Å²	72.2	40%	0.398	38%	0.382	S	S	.	.	H	α-helix	trans	-85.5	-42.2	175.4	-64.9	-69.1	0	0	0	111.7	C665 V667 C668 H681 L682 G687	C665-H685 PolarHBondContact SG-NE2 2.78Å; V667-H685 HydrophobicContact CG1-CB 4.27Å; V667-H685 WeakPolarHBondContact CG1-ND1 3.47Å; C668-H685 WeakPolarHBondContact CB-CE1 3.34Å; C668-H685 PolarHBondContact SG-CE1 2.88Å; C668-H685 PolarHBondContact SG-NE2 3.22Å; H681-H685 AromaticContact CD2-NE2 3.16Å; H681-H685 PolarHBondContact CD2-NE2 2.68Å; H681-H685 AromaticContact CE1-NE2 2.77Å; H681-H685 PolarHBondContact CE1-NE2 2.8Å; H681-H685 AromaticContact ND1-NE2 3.84Å; H681-H685 AromaticContact NE2-CD2 3.76Å; H681-H685 AromaticContact NE2-NE2 2.17Å; H681-H685 PolarHBondContact NE2-NE2 2.93Å; L682-H685 PolarHBondContact O-N 2.65Å; H685-G687 PolarHBondContact O-N 3.12Å
686	S	79.3	Confident	81.1	Confident	76 Å²	76	69.7 Å²	69.7	53%	0.531	37%	0.368	S	S	.	.	H	α-helix	trans	-68.1	-21	173	-171.5	0	0	0	0	112.7	L682 E688	L682-S686 PolarHBondContact O-N 3.25Å; S686-E688 VanDerWaalsContact CB-OE1 3.26Å; S686-E688 WeakPolarHBondContact CB-OE1 3.36Å; S686-E688 PolarHBondContact O-N 2.85Å; S686-E688 WeakPolarHBondContact OG-CG 3.42Å; S686-E688 PolarHBondContact OG-OE1 3.26Å
687	G	77.9	Confident	81.2	Confident	41 Å²	41	73.2 Å²	73.2	42%	0.423	39%	0.39	S	S	.	.			trans	75.9	-4.4	-174.8	0	0	0	0	0	114.4	R683 H685 K689	R683-G687 CarbonylContact O-C 3.47Å; R683-G687 WeakPolarHBondContact O-CA 3.16Å; R683-G687 PolarHBondContact O-N 2.99Å; R683-G687 VanDerWaalsContact O-N 3.1Å; H685-G687 PolarHBondContact O-N 3.12Å; G687-K689 WeakPolarHBondContact O-CG 3.26Å; G687-K689 PolarHBondContact O-N 2.86Å
688	E	78.7	Confident	81.2	Confident	103 Å²	103	71.1 Å²	71.1	48%	0.481	38%	0.383	S	S	.	.			trans	-48.8	113.5	176	-83.7	168	-122.4	0	0	113.5	R683 S686 P690 T701	R683-E688 HydrophobicContact CB-CB 4.36Å; R683-E688 HydrophobicContact CG-CB 4.3Å; R683-E688 PolarHBondContact O-N 2.93Å; S686-E688 VanDerWaalsContact CB-OE1 3.26Å; S686-E688 WeakPolarHBondContact CB-OE1 3.36Å; S686-E688 PolarHBondContact O-N 2.85Å; S686-E688 WeakPolarHBondContact OG-CG 3.42Å; S686-E688 PolarHBondContact OG-OE1 3.26Å; E688-P690 VanDerWaalsContact C-CD 3.44Å; E688-P690 VanDerWaalsContact O-CD 3.3Å; E688-P690 WeakPolarHBondContact O-CD 3.46Å; E688-T701 WeakPolarHBondContact O-CG2 3.25Å
689	K	81.7	Confident	81.2	Confident	117 Å²	117	75.2 Å²	75.2	51%	0.509	40%	0.399	S	S	.	.			trans	-119.8	71.2	176.2	-70.5	159.5	-174.9	170.8	0	110.2	G687 Y691 K699 F700 T701	G687-K689 WeakPolarHBondContact O-CG 3.26Å; G687-K689 PolarHBondContact O-N 2.86Å; K689-Y691 VanDerWaalsContact C-N 3.25Å; K689-Y691 PolarHBondContact O-N 2.94Å; K689-K699 HydrophobicContact CB-CB 3.54Å; K689-K699 HydrophobicContact CD-CB 4.31Å; K689-K699 HydrophobicContact CG-CB 4.46Å; K689-F700 CarbonylContact C-O 3.54Å; K689-F700 VanDerWaalsContact C-O 3.27Å; K689-F700 VanDerWaalsContact CA-O 3.31Å; K689-F700 WeakPolarHBondContact CA-O 3.5Å; K689-T701 HydrophobicContact CG-CG2 3.78Å
690	P	81.1	Confident	80.9	Confident	75 Å²	75	72.1 Å²	72.1	49%	0.487	39%	0.386	S	S	.	.			trans	-65.1	-26.1	-173.6	25.2	-34.3	0	0	0	113.5	E688 Q692	E688-P690 VanDerWaalsContact C-CD 3.44Å; E688-P690 VanDerWaalsContact O-CD 3.3Å; E688-P690 WeakPolarHBondContact O-CD 3.46Å; P690-Q692 PolarHBondContact O-N 3.42Å
691	Y	79.9	Confident	80.8	Confident	40 Å²	40	71.3 Å²	71.3	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	87.5	-175.7	-52.9	-71.2	0	0	0	111.1	R683 K689 F700 F703 E778	R683-Y691 PolarHBondContact NH1-OH 3.2Å; K689-Y691 VanDerWaalsContact C-N 3.25Å; K689-Y691 PolarHBondContact O-N 2.94Å; Y691-F700 PolarHBondContact N-O 2.8Å; Y691-F700 VanDerWaalsContact N-O 3.1Å; Y691-F700 WeakPolarHBondContact O-CD2 3.4Å; Y691-F700 PolarHBondContact O-N 2.82Å; Y691-F703 HydrophobicContact CD1-CB 4.06Å; Y691-F703 HydrophobicContact CD1-CD2 4.03Å; Y691-F703 HydrophobicContact CD2-CB 4.4Å; Y691-F703 VanDerWaalsContact CD2-N 3.26Å; Y691-F703 HydrophobicContact CE1-CB 3.95Å; Y691-F703 HydrophobicContact CE1-CD2 4.29Å; Y691-F703 HydrophobicContact CE2-CB 4.27Å; Y691-F703 HydrophobicContact CG-CB 4.3Å; Y691-E778 PolarHBondContact OH-OE1 3.27Å
692	Q	82.9	Confident	80.5	Confident	99 Å²	99	72.9 Å²	72.9	46%	0.463	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	143.8	175.3	-179.8	165.3	-22.2	0	0	112.5	P690 K699	P690-Q692 PolarHBondContact O-N 3.42Å; Q692-K699 HydrophobicContact CB-CG 4.13Å; Q692-K699 HydrophobicContact CG-CG 4.07Å
693	C	81.7	Confident	80.2	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.02	39%	0.387	C	S	.	.			trans	-79	135.9	169.4	-166	0	0	0	0	111.6	V695 A698 L706 H709	C693-V695 VanDerWaalsContact C-N 3.28Å; C693-V695 PolarHBondContact O-N 3.32Å; C693-A698 PolarHBondContact N-O 2.78Å; C693-L706 HydrophobicContact CB-CD1 3.76Å; C693-H709 PolarHBondContact SG-NE2 2.98Å
694	K	81.6	Confident	79.6	Confident	153 Å²	153	75.5 Å²	75.5	67%	0.665	41%	0.406	S	S	*	.	S	Bend	trans	-76.6	-12.1	175.5	-59.4	-153.5	-177.1	-155.8	0	113.8	E788	K694-E788 WeakPolarHBondContact CE-OE1 3.26Å; K694-E788 IonicContact NZ-OE1 2.99Å; K694-E788 PolarHBondContact NZ-OE1 2.61Å; K694-E788 IonicContact NZ-OE2 3.28Å; K694-E788 PolarHBondContact NZ-OE2 3.11Å
695	V	80.7	Confident	79.4	Confident	102 Å²	102	73.9 Å²	73.9	62%	0.618	40%	0.395	S	S	*	.	S	Bend	trans	-101	-21.1	-175.8	-171.1	0	0	0	0	112.6	C693 H713	C693-V695 VanDerWaalsContact C-N 3.28Å; C693-V695 PolarHBondContact O-N 3.32Å; V695-H713 HydrophobicContact CG1-CB 4.21Å; V695-H713 WeakPolarHBondContact CG1-ND1 3.46Å
696	C	80.9	Confident	79.2	Confident	37 Å²	37	70.3 Å²	70.3	25%	0.25	38%	0.379	C	S	.	.	S	Bend	trans	-156.6	162.5	179.6	79.7	0	0	0	0	110.7	A698 H709 H713	C696-A698 PolarHBondContact O-N 2.8Å; C696-H709 PolarHBondContact SG-CE1 2.65Å; C696-H709 PolarHBondContact SG-NE2 2.89Å; C696-H713 PolarHBondContact SG-NE2 3.01Å
697	P	81.7	Confident	79.1	Confident	116 Å²	116	73 Å²	73	75%	0.753	38%	0.381	S	S	*	.	S	Bend	trans	-69.2	5.8	-172.9	28.2	-36.3	0	0	0	115.7	K699	P697-K699 PolarHBondContact O-N 3.03Å
698	A	79.9	Confident	79	Confident	31 Å²	31	73.6 Å²	73.6	26%	0.256	37%	0.374	S	S	.	.			trans	-66	122.6	179.6	0	0	0	0	0	112	C693 C696 F700	C693-A698 PolarHBondContact N-O 2.78Å; C696-A698 PolarHBondContact O-N 2.8Å; A698-F700 HydrophobicContact CB-CE2 3.7Å; A698-F700 HydrophobicContact CB-CZ 3.72Å
699	K	83.6	Confident	79	Confident	115 Å²	115	70 Å²	70	50%	0.5	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.8	174.9	-47.5	-166.6	-172.2	-162	0	111.1	K689 Q692 P697	K689-K699 HydrophobicContact CB-CB 3.54Å; K689-K699 HydrophobicContact CD-CB 4.31Å; K689-K699 HydrophobicContact CG-CB 4.46Å; Q692-K699 HydrophobicContact CB-CG 4.13Å; Q692-K699 HydrophobicContact CG-CG 4.07Å; P697-K699 PolarHBondContact O-N 3.03Å
700	F	76.6	Confident	78.7	Confident	44 Å²	44	68.7 Å²	68.7	19%	0.193	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.8	-174.6	-57.4	-84.6	0	0	0	112.6	K689 Y691 A698 H705 L706 H709	K689-F700 CarbonylContact C-O 3.54Å; K689-F700 VanDerWaalsContact C-O 3.27Å; K689-F700 VanDerWaalsContact CA-O 3.31Å; K689-F700 WeakPolarHBondContact CA-O 3.5Å; Y691-F700 PolarHBondContact N-O 2.8Å; Y691-F700 VanDerWaalsContact N-O 3.1Å; Y691-F700 WeakPolarHBondContact O-CD2 3.4Å; Y691-F700 PolarHBondContact O-N 2.82Å; A698-F700 HydrophobicContact CB-CE2 3.7Å; A698-F700 HydrophobicContact CB-CZ 3.72Å; F700-H705 HydrophobicContact CB-CB 4.1Å; F700-H705 HydrophobicContact CD1-CB 3.69Å; F700-H705 HydrophobicContact CE1-CB 4.47Å; F700-H705 HydrophobicContact CG-CB 4.07Å; F700-L706 HydrophobicContact CD2-CB 3.97Å; F700-L706 HydrophobicContact CD2-CD1 4.1Å; F700-L706 HydrophobicContact CE2-CD1 4.25Å; F700-L706 HydrophobicContact CG-CB 4.47Å; F700-H709 HydrophobicContact CE1-CB 4.26Å; F700-H709 HydrophobicContact CE2-CB 3.86Å; F700-H709 AromaticContact CE2-CD2 3.56Å; F700-H709 AromaticContact CE2-CG 3.6Å; F700-H709 HydrophobicContact CZ-CB 3.56Å; F700-H709 AromaticContact CZ-CD2 3.8Å; F700-H709 AromaticContact CZ-CG 3.36Å; F700-H709 AromaticContact CZ-ND1 3.59Å
701	T	78.1	Confident	78.3	Confident	18 Å²	18	69.2 Å²	69.2	11%	0.11	34%	0.344	C	S	.	.	S	Bend	trans	-77.3	-19.7	177.4	57	0	0	0	0	113.7	R683 L684 E688 K689	R683-T701 PolarHBondContact NH1-O 2.99Å; L684-T701 HydrophobicContact CD2-CG2 4.03Å; E688-T701 WeakPolarHBondContact O-CG2 3.25Å; K689-T701 HydrophobicContact CG-CG2 3.78Å
702	Q	76.2	Confident	78	Confident	51 Å²	51	71.1 Å²	71.1	24%	0.238	36%	0.356	C	S	.	.	S	Bend	trans	-136.7	138.7	-175.9	-66.3	176.6	-13.3	0	0	111.2	T680 V704 H705 L706	T680-Q702 HydrophobicContact CG2-CG 4.49Å; Q702-V704 VanDerWaalsContact C-N 3.28Å; Q702-V704 PolarHBondContact O-N 2.69Å; Q702-H705 PolarHBondContact O-N 3.05Å; Q702-H705 VanDerWaalsContact O-N 3.16Å; Q702-H705 PolarHBondContact OE1-CE1 2.63Å; Q702-L706 PolarHBondContact O-N 2.78Å
703	F	75.3	Confident	77.6	Confident	77 Å²	77	69.7 Å²	69.7	34%	0.338	35%	0.349	S	S	.	.	H	α-helix	trans	-60.4	-34.4	-178.6	-179.8	-101.4	0	0	0	113.3	Y691 H705 L706 K707 L774	Y691-F703 HydrophobicContact CD1-CB 4.06Å; Y691-F703 HydrophobicContact CD1-CD2 4.03Å; Y691-F703 HydrophobicContact CD2-CB 4.4Å; Y691-F703 VanDerWaalsContact CD2-N 3.26Å; Y691-F703 HydrophobicContact CE1-CB 3.95Å; Y691-F703 HydrophobicContact CE1-CD2 4.29Å; Y691-F703 HydrophobicContact CE2-CB 4.27Å; Y691-F703 HydrophobicContact CG-CB 4.3Å; F703-H705 VanDerWaalsContact C-N 3.28Å; F703-H705 PolarHBondContact O-N 3.18Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.12Å; F703-K707 HydrophobicContact CE1-CB 4.38Å; F703-K707 HydrophobicContact CE1-CD 4.19Å; F703-K707 PolarHBondContact O-N 2.87Å; F703-L774 HydrophobicContact CB-CD1 4.48Å; F703-L774 HydrophobicContact CD1-CD1 4.03Å; F703-L774 HydrophobicContact CD1-CD2 3.92Å; F703-L774 HydrophobicContact CE1-CD2 4.22Å; F703-L774 HydrophobicContact CG-CD2 4.26Å
704	V	71.6	Confident	76.9	Confident	93 Å²	93	74.3 Å²	74.3	56%	0.564	38%	0.378	S	S	*	.	H	α-helix	trans	-59.1	-39.9	177.8	-178.1	0	0	0	0	111.3	Q702 K707 L708	Q702-V704 VanDerWaalsContact C-N 3.28Å; Q702-V704 PolarHBondContact O-N 2.69Å; V704-K707 PolarHBondContact O-N 2.76Å; V704-L708 VanDerWaalsContact O-CB 3.3Å; V704-L708 WeakPolarHBondContact O-CB 3.45Å; V704-L708 PolarHBondContact O-N 2.96Å
705	H	76.2	Confident	76	Confident	74 Å²	74	77 Å²	77	34%	0.343	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.8	-63.3	140.8	0	0	0	112	F700 Q702 F703 L708 H709	F700-H705 HydrophobicContact CB-CB 4.1Å; F700-H705 HydrophobicContact CD1-CB 3.69Å; F700-H705 HydrophobicContact CE1-CB 4.47Å; F700-H705 HydrophobicContact CG-CB 4.07Å; Q702-H705 PolarHBondContact O-N 3.05Å; Q702-H705 VanDerWaalsContact O-N 3.16Å; Q702-H705 PolarHBondContact OE1-CE1 2.63Å; F703-H705 VanDerWaalsContact C-N 3.28Å; F703-H705 PolarHBondContact O-N 3.18Å; H705-L708 PolarHBondContact O-N 3.43Å; H705-H709 WeakPolarHBondContact O-CB 3.39Å; H705-H709 PolarHBondContact O-N 3.24Å
706	L	78.7	Confident	75.3	Confident	11 Å²	11	75.7 Å²	75.7	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-62.9	-45.4	172.4	174.2	60.6	0	0	0	111.8	C693 F700 Q702 F703 L708 H709 K710	C693-L706 HydrophobicContact CB-CD1 3.76Å; F700-L706 HydrophobicContact CD2-CB 3.97Å; F700-L706 HydrophobicContact CD2-CD1 4.1Å; F700-L706 HydrophobicContact CE2-CD1 4.25Å; F700-L706 HydrophobicContact CG-CB 4.47Å; Q702-L706 PolarHBondContact O-N 2.78Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.12Å; L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.35Å; L706-H709 PolarHBondContact O-N 3.37Å; L706-K710 HydrophobicContact CD1-CG 4.29Å; L706-K710 WeakPolarHBondContact O-CG 3.29Å; L706-K710 PolarHBondContact O-N 3.24Å
707	K	77.1	Confident	74.7	Confident	134 Å²	134	79.7 Å²	79.7	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-62.7	-39.8	178.8	-173.5	173.4	-178.2	175.6	0	111.8	F703 V704	F703-K707 HydrophobicContact CE1-CB 4.38Å; F703-K707 HydrophobicContact CE1-CD 4.19Å; F703-K707 PolarHBondContact O-N 2.87Å; V704-K707 PolarHBondContact O-N 2.76Å
708	L	75.7	Confident	74.2	Confident	52 Å²	52	77.1 Å²	77.1	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-69.8	-40.8	175.8	-170.1	62.3	0	0	0	111.8	V704 H705 L706 R711	V704-L708 VanDerWaalsContact O-CB 3.3Å; V704-L708 WeakPolarHBondContact O-CB 3.45Å; V704-L708 PolarHBondContact O-N 2.96Å; H705-L708 PolarHBondContact O-N 3.43Å; L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.35Å; L708-R711 WeakPolarHBondContact O-CB 3.2Å; L708-R711 PolarHBondContact O-N 2.75Å
709	H	77.5	Confident	73.8	Confident	27 Å²	27	78 Å²	78	13%	0.125	37%	0.365	C	S	.	.	H	α-helix	trans	-65	-35.3	174.7	167.5	83.5	0	0	0	112.8	C693 C696 F700 H705 L706 R711 L712 H713	C693-H709 PolarHBondContact SG-NE2 2.98Å; C696-H709 PolarHBondContact SG-CE1 2.65Å; C696-H709 PolarHBondContact SG-NE2 2.89Å; F700-H709 HydrophobicContact CE1-CB 4.26Å; F700-H709 HydrophobicContact CE2-CB 3.86Å; F700-H709 AromaticContact CE2-CD2 3.56Å; F700-H709 AromaticContact CE2-CG 3.6Å; F700-H709 HydrophobicContact CZ-CB 3.56Å; F700-H709 AromaticContact CZ-CD2 3.8Å; F700-H709 AromaticContact CZ-CG 3.36Å; F700-H709 AromaticContact CZ-ND1 3.59Å; H705-H709 WeakPolarHBondContact O-CB 3.39Å; H705-H709 PolarHBondContact O-N 3.24Å; L706-H709 PolarHBondContact O-N 3.37Å; H709-R711 PolarHBondContact O-N 3.35Å; H709-L712 WeakPolarHBondContact O-CB 3.46Å; H709-L712 WeakPolarHBondContact O-CG 3.47Å; H709-L712 PolarHBondContact O-N 3.12Å; H709-H713 AromaticContact CD2-NE2 3.8Å; H709-H713 AromaticContact CE1-NE2 3.38Å; H709-H713 PolarHBondContact CE1-NE2 2.85Å; H709-H713 AromaticContact NE2-CD2 3.66Å; H709-H713 AromaticContact NE2-NE2 2.95Å; H709-H713 PolarHBondContact NE2-NE2 3.46Å
710	K	76.6	Confident	73.4	Confident	90 Å²	90	79.8 Å²	79.8	39%	0.391	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-31.1	175.1	-81.1	-176.4	176.3	-173.7	0	112.9	L706 L712 H713 T714	L706-K710 HydrophobicContact CD1-CG 4.29Å; L706-K710 WeakPolarHBondContact O-CG 3.29Å; L706-K710 PolarHBondContact O-N 3.24Å; K710-L712 PolarHBondContact O-N 2.98Å; K710-H713 PolarHBondContact O-N 2.79Å; K710-H713 VanDerWaalsContact O-N 3.14Å; K710-T714 PolarHBondContact O-N 3.16Å
711	R	72.5	Confident	73.5	Confident	87 Å²	87	77.8 Å²	77.8	33%	0.328	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-21.5	174	-62.4	-176.5	173.3	175.5	-4.3	114	L708 H709 H713 D716 I729	L708-R711 WeakPolarHBondContact O-CB 3.2Å; L708-R711 PolarHBondContact O-N 2.75Å; H709-R711 PolarHBondContact O-N 3.35Å; R711-H713 VanDerWaalsContact C-N 3.32Å; R711-D716 PolarHBondContact O-N 2.88Å; R711-I729 HydrophobicContact CB-CG2 3.55Å
712	L	73.5	Confident	73.3	Confident	79 Å²	79	80.4 Å²	80.4	41%	0.414	39%	0.388	S	S	.	.	H	α-helix	trans	-67.1	-36.2	173.3	-53.9	176	0	0	0	111	H709 K710 I729	H709-L712 WeakPolarHBondContact O-CB 3.46Å; H709-L712 WeakPolarHBondContact O-CG 3.47Å; H709-L712 PolarHBondContact O-N 3.12Å; K710-L712 PolarHBondContact O-N 2.98Å; L712-I729 HydrophobicContact CD2-CD1 3.61Å; L712-I729 HydrophobicContact CD2-CG2 4.13Å
713	H	72.9	Confident	73.2	Confident	69 Å²	69	80.6 Å²	80.6	32%	0.319	39%	0.389	S	S	.	.	H	α-helix	trans	-77.5	-43.9	-178.4	-65.8	-65.3	0	0	0	112.6	V695 C696 H709 K710 R711 R715	V695-H713 HydrophobicContact CG1-CB 4.21Å; V695-H713 WeakPolarHBondContact CG1-ND1 3.46Å; C696-H713 PolarHBondContact SG-NE2 3.01Å; H709-H713 AromaticContact CD2-NE2 3.8Å; H709-H713 AromaticContact CE1-NE2 3.38Å; H709-H713 PolarHBondContact CE1-NE2 2.85Å; H709-H713 AromaticContact NE2-CD2 3.66Å; H709-H713 AromaticContact NE2-NE2 2.95Å; H709-H713 PolarHBondContact NE2-NE2 3.46Å; K710-H713 PolarHBondContact O-N 2.79Å; K710-H713 VanDerWaalsContact O-N 3.14Å; R711-H713 VanDerWaalsContact C-N 3.32Å; H713-R715 PolarHBondContact O-N 3.41Å; H713-R715 VanDerWaalsContact O-N 3.09Å
714	T	68	Low	73.3	Confident	101 Å²	101	78.3 Å²	78.3	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-1.4	177.4	58.8	0	0	0	0	113.7	K710 D716	K710-T714 PolarHBondContact O-N 3.16Å; T714-D716 PolarHBondContact O-N 3.37Å; T714-D716 WeakPolarHBondContact OG1-CB 3.48Å
715	R	63.2	Low	73.4	Confident	210 Å²	210	81 Å²	81	79%	0.792	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	14.2	-169.8	-61.4	-176.2	173	-169.2	-0.8	114.3	H713 R717	H713-R715 PolarHBondContact O-N 3.41Å; H713-R715 VanDerWaalsContact O-N 3.09Å; R715-R717 WeakPolarHBondContact O-CG 3.19Å; R715-R717 PolarHBondContact O-N 2.95Å
716	D	65.8	Low	73.4	Confident	73 Å²	73	82.2 Å²	82.2	39%	0.39	39%	0.392	S	S	.	.			trans	-68	120.1	-174.6	179.4	24.9	0	0	0	110.8	R711 T714 P718	R711-D716 PolarHBondContact O-N 2.88Å; T714-D716 PolarHBondContact O-N 3.37Å; T714-D716 WeakPolarHBondContact OG1-CB 3.48Å; D716-P718 VanDerWaalsContact C-CD 3.48Å; D716-P718 WeakPolarHBondContact O-CD 3.34Å; D716-P718 WeakPolarHBondContact OD1-CD 3.38Å
717	R	68.5	Low	73.2	Confident	122 Å²	122	83.5 Å²	83.5	46%	0.46	40%	0.402	S	S	.	.			trans	-127.8	67.6	-174	-74	168.3	173.1	-130.9	12.4	109.4	R715 H719 S727 Y728 I729	R715-R717 WeakPolarHBondContact O-CG 3.19Å; R715-R717 PolarHBondContact O-N 2.95Å; R717-H719 PolarHBondContact O-N 3.2Å; R717-S727 WeakPolarHBondContact CD-O 3.49Å; R717-S727 WeakPolarHBondContact CD-OG 3.45Å; R717-S727 PolarHBondContact NH1-O 2.96Å; R717-Y728 CarbonylContact C-O 3.56Å; R717-Y728 WeakPolarHBondContact CA-O 3.36Å; R717-I729 HydrophobicContact CG-CD1 4.32Å; R717-I729 HydrophobicContact CG-CG1 3.49Å; R717-I729 VanDerWaalsContact CG-CG1 3.49Å
718	P	71.5	Confident	73	Confident	62 Å²	62	79.6 Å²	79.6	40%	0.403	38%	0.384	S	S	.	.			trans	-67.3	-25.9	-172.2	27.6	-34.6	0	0	0	112.2	D716 K720	D716-P718 VanDerWaalsContact C-CD 3.48Å; D716-P718 WeakPolarHBondContact O-CD 3.34Å; D716-P718 WeakPolarHBondContact OD1-CD 3.38Å; P718-K720 PolarHBondContact O-N 3.15Å; P718-K720 VanDerWaalsContact O-N 3.12Å
719	H	70.7	Confident	72.8	Confident	49 Å²	49	78.3 Å²	78.3	23%	0.227	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	81.3	-177.1	-55	-61.4	0	0	0	110.8	R717 Y728 L731 L734	R717-H719 PolarHBondContact O-N 3.2Å; H719-Y728 WeakPolarHBondContact CB-O 3.19Å; H719-Y728 PolarHBondContact N-O 2.84Å; H719-Y728 WeakPolarHBondContact O-CB 3.33Å; H719-Y728 PolarHBondContact O-N 2.84Å; H719-L731 PolarHBondContact CD2-N 3.23Å; H719-L731 VanDerWaalsContact CD2-N 3.31Å; H719-L734 HydrophobicContact CB-CB 4.15Å; H719-L734 HydrophobicContact CB-CD2 3.89Å
720	K	75.8	Confident	72.4	Confident	153 Å²	153	78.2 Å²	78.2	67%	0.665	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.2	172.9	-59.8	179.7	-175.2	175.7	0	110.7	P718	P718-K720 PolarHBondContact O-N 3.15Å; P718-K720 VanDerWaalsContact O-N 3.12Å
721	C	78.3	Confident	72.3	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.014	37%	0.371	C	S	.	.			trans	-76.1	131.6	167.4	-178.7	0	0	0	0	110.8	Q723 H725 K726 L734 H737	C721-Q723 PolarHBondContact SG-N 3.22Å; C721-H725 WeakPolarHBondContact O-CA 3.3Å; C721-H725 PolarHBondContact O-N 3.08Å; C721-K726 PolarHBondContact N-O 3.15Å; C721-L734 HydrophobicContact CB-CD1 3.76Å; C721-H737 WeakPolarHBondContact CB-NE2 3.46Å; C721-H737 VanDerWaalsContact SG-CD2 3.56Å; C721-H737 PolarHBondContact SG-NE2 3.49Å
722	A	74.2	Confident	72.2	Confident	73 Å²	73	74.8 Å²	74.8	60%	0.603	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-38	176.6	0	0	0	0	0	112.9	H725	A722-H725 PolarHBondContact O-CE1 3.19Å; A722-H725 PolarHBondContact O-ND1 2.97Å
723	Q	72.8	Confident	72.3	Confident	55 Å²	55	73 Å²	73	26%	0.257	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.3	-171.1	-72.8	170.7	-41.6	0	0	115.2	C721 V744 L750	C721-Q723 PolarHBondContact SG-N 3.22Å; Q723-V744 HydrophobicContact CB-CB 4.42Å; Q723-L750 HydrophobicContact CG-CD1 3.97Å
724	C	77.8	Confident	72.6	Confident	28 Å²	28	70.7 Å²	70.7	19%	0.189	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.8	13.7	-179.6	82.5	0	0	0	0	114.4	K726 H737 C742 P743 V744	C724-K726 PolarHBondContact O-N 2.96Å; C724-K726 VanDerWaalsContact SG-CG 3.56Å; C724-H737 PolarHBondContact SG-CE1 2.83Å; C724-H737 PolarHBondContact SG-NE2 3.06Å; C724-C742 VanDerWaalsContact SG-SG 3.66Å; C724-P743 HydrophobicContact CB-CG 4.14Å; C724-V744 HydrophobicContact CB-CG2 4.49Å
725	H	74.3	Confident	72.9	Confident	149 Å²	149	71.5 Å²	71.5	69%	0.69	35%	0.351	S	S	*	.			trans	55.9	2.4	174.9	-48.3	-44.4	0	0	0	117.6	C721 A722 S727	C721-H725 WeakPolarHBondContact O-CA 3.3Å; C721-H725 PolarHBondContact O-N 3.08Å; A722-H725 PolarHBondContact O-CE1 3.19Å; A722-H725 PolarHBondContact O-ND1 2.97Å; H725-S727 PolarHBondContact O-N 3.16Å
726	K	75	Confident	73.4	Confident	101 Å²	101	65.5 Å²	65.5	44%	0.439	34%	0.338	S	S	.	.			trans	-56.6	125.9	173	-71.2	178.5	-170.4	178	0	109.3	C721 C724 Y728	C721-K726 PolarHBondContact N-O 3.15Å; C724-K726 PolarHBondContact O-N 2.96Å; C724-K726 VanDerWaalsContact SG-CG 3.56Å; K726-Y728 HydrophobicContact CB-CE2 3.72Å; K726-Y728 WeakPolarHBondContact O-CD2 3.39Å; K726-Y728 WeakPolarHBondContact O-CE2 3.42Å
727	S	75.3	Confident	74.1	Confident	37 Å²	37	62.2 Å²	62.2	26%	0.259	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.9	-171.6	60.7	0	0	0	0	111.2	R717 H725	R717-S727 WeakPolarHBondContact CD-O 3.49Å; R717-S727 WeakPolarHBondContact CD-OG 3.45Å; R717-S727 PolarHBondContact NH1-O 2.96Å; H725-S727 PolarHBondContact O-N 3.16Å
728	Y	72.7	Confident	74.5	Confident	53 Å²	53	60.1 Å²	60.1	21%	0.208	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.7	-171.4	-64.4	-82.8	0	0	0	112	R717 H719 K726 L734 H737	R717-Y728 CarbonylContact C-O 3.56Å; R717-Y728 WeakPolarHBondContact CA-O 3.36Å; H719-Y728 WeakPolarHBondContact CB-O 3.19Å; H719-Y728 PolarHBondContact N-O 2.84Å; H719-Y728 WeakPolarHBondContact O-CB 3.33Å; H719-Y728 PolarHBondContact O-N 2.84Å; K726-Y728 HydrophobicContact CB-CE2 3.72Å; K726-Y728 WeakPolarHBondContact O-CD2 3.39Å; K726-Y728 WeakPolarHBondContact O-CE2 3.42Å; Y728-L734 HydrophobicContact CD2-CB 4.2Å; Y728-L734 HydrophobicContact CD2-CD1 4.03Å; Y728-L734 HydrophobicContact CE2-CD1 4.35Å; Y728-L734 HydrophobicContact CG-CB 4.47Å; Y728-H737 HydrophobicContact CE1-CB 4.46Å; Y728-H737 HydrophobicContact CE2-CB 3.94Å; Y728-H737 AromaticContact CE2-CD2 3.72Å; Y728-H737 AromaticContact CE2-CG 3.72Å; Y728-H737 AromaticContact CZ-CG 3.7Å; Y728-H737 AromaticContact CZ-ND1 3.98Å; Y728-H737 VanDerWaalsContact OH-CG 3.31Å; Y728-H737 PolarHBondContact OH-ND1 2.98Å; Y728-H737 VanDerWaalsContact OH-ND1 3.12Å
729	I	71	Confident	74.4	Confident	25 Å²	25	66.3 Å²	66.3	13%	0.128	34%	0.338	C	S	.	.	S	Bend	trans	-81.5	-27	-179.2	-52	178.2	0	0	0	111.2	R711 L712 R717	R711-I729 HydrophobicContact CB-CG2 3.55Å; L712-I729 HydrophobicContact CD2-CD1 3.61Å; L712-I729 HydrophobicContact CD2-CG2 4.13Å; R717-I729 HydrophobicContact CG-CD1 4.32Å; R717-I729 HydrophobicContact CG-CG1 3.49Å; R717-I729 VanDerWaalsContact CG-CG1 3.49Å
730	H	69.8	Low	74.3	Confident	25 Å²	25	66.6 Å²	66.6	12%	0.116	35%	0.354	C	S	.	.	S	Bend	trans	-120.8	137.9	-180	-43.2	-92.5	0	0	0	111.2	Y5 C732 S733 L734	Y5-H730 PolarHBondContact OH-CE1 2.85Å; Y5-H730 PolarHBondContact OH-NE2 3.29Å; H730-C732 VanDerWaalsContact CB-SG 3.53Å; H730-C732 PolarHBondContact O-N 3Å; H730-S733 WeakPolarHBondContact O-CB 3.33Å; H730-S733 PolarHBondContact O-N 3.06Å; H730-S733 VanDerWaalsContact O-N 3.08Å; H730-L734 PolarHBondContact O-N 2.85Å
731	L	73.5	Confident	73.9	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-30.9	174.1	-173.9	66.6	0	0	0	112.4	H719 L734 K735 I758 I762	H719-L731 PolarHBondContact CD2-N 3.23Å; H719-L731 VanDerWaalsContact CD2-N 3.31Å; L731-L734 HydrophobicContact CD1-CD2 4.37Å; L731-L734 PolarHBondContact O-N 3.28Å; L731-K735 WeakPolarHBondContact O-CB 3.5Å; L731-K735 PolarHBondContact O-N 3.05Å; L731-I758 HydrophobicContact CD2-CG2 4.44Å; L731-I762 HydrophobicContact CD2-CD1 3.51Å
732	C	70.2	Confident	73.3	Confident	51 Å²	51	64.9 Å²	64.9	35%	0.345	35%	0.353	S	S	.	.	H	α-helix	trans	-65.6	-36.1	174	58.7	0	0	0	0	112.4	H730 K735 V736	H730-C732 VanDerWaalsContact CB-SG 3.53Å; H730-C732 PolarHBondContact O-N 3Å; C732-K735 PolarHBondContact O-N 2.82Å; C732-V736 WeakPolarHBondContact O-CG2 3.34Å; C732-V736 PolarHBondContact O-N 3.21Å
733	S	77	Confident	72.8	Confident	43 Å²	43	66 Å²	66	30%	0.301	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-39.5	173.6	-51.2	0	0	0	0	111.6	H730 H737	H730-S733 WeakPolarHBondContact O-CB 3.33Å; H730-S733 PolarHBondContact O-N 3.06Å; H730-S733 VanDerWaalsContact O-N 3.08Å; S733-H737 VanDerWaalsContact O-CB 3.3Å; S733-H737 WeakPolarHBondContact O-CB 3.3Å; S733-H737 PolarHBondContact O-N 2.85Å
734	L	79.2	Confident	72	Confident	19 Å²	19	66.9 Å²	66.9	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-64.6	-42.3	171.7	178.5	60.5	0	0	0	111.5	H719 C721 Y728 H730 L731 V736 H737 L738	H719-L734 HydrophobicContact CB-CB 4.15Å; H719-L734 HydrophobicContact CB-CD2 3.89Å; C721-L734 HydrophobicContact CB-CD1 3.76Å; Y728-L734 HydrophobicContact CD2-CB 4.2Å; Y728-L734 HydrophobicContact CD2-CD1 4.03Å; Y728-L734 HydrophobicContact CE2-CD1 4.35Å; Y728-L734 HydrophobicContact CG-CB 4.47Å; H730-L734 PolarHBondContact O-N 2.85Å; L731-L734 HydrophobicContact CD1-CD2 4.37Å; L731-L734 PolarHBondContact O-N 3.28Å; L734-V736 PolarHBondContact O-N 2.59Å; L734-H737 WeakPolarHBondContact O-CB 3.06Å; L734-H737 PolarHBondContact O-N 3.23Å; L734-H737 VanDerWaalsContact O-N 3.16Å; L734-L738 HydrophobicContact CD1-CD1 3.99Å; L734-L738 HydrophobicContact CD1-CD2 4.47Å; L734-L738 HydrophobicContact CD1-CG 3.93Å; L734-L738 HydrophobicContact CD2-CD1 4.47Å; L734-L738 HydrophobicContact CG-CD1 3.87Å; L734-L738 HydrophobicContact CG-CG 4.27Å; L734-L738 WeakPolarHBondContact O-CG 3.24Å; L734-L738 PolarHBondContact O-N 3.12Å
735	K	73.4	Confident	70.6	Confident	118 Å²	118	70.7 Å²	70.7	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-39.7	178	-173	171.2	-69.7	-170.9	0	112.6	L731 C732 K739	L731-K735 WeakPolarHBondContact O-CB 3.5Å; L731-K735 PolarHBondContact O-N 3.05Å; C732-K735 PolarHBondContact O-N 2.82Å; K735-K739 VanDerWaalsContact O-CB 3.31Å; K735-K739 WeakPolarHBondContact O-CB 3.47Å; K735-K739 PolarHBondContact O-N 2.79Å; K735-K739 VanDerWaalsContact O-N 3.15Å
736	V	75.2	Confident	69.1	Low	85 Å²	85	68 Å²	68	52%	0.515	38%	0.381	S	S	.	.	H	α-helix	trans	-66.6	-38.2	172	170.7	0	0	0	0	111.1	C732 L734 K739	C732-V736 WeakPolarHBondContact O-CG2 3.34Å; C732-V736 PolarHBondContact O-N 3.21Å; L734-V736 PolarHBondContact O-N 2.59Å; V736-K739 PolarHBondContact O-N 3.4Å
737	H	78.7	Confident	67.5	Low	3 Å²	3	66.9 Å²	66.9	1%	0.014	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-49.3	176.5	169.9	71.7	0	0	0	112.9	C721 C724 Y728 S733 L734 K739 G740 N741 C742	C721-H737 WeakPolarHBondContact CB-NE2 3.46Å; C721-H737 VanDerWaalsContact SG-CD2 3.56Å; C721-H737 PolarHBondContact SG-NE2 3.49Å; C724-H737 PolarHBondContact SG-CE1 2.83Å; C724-H737 PolarHBondContact SG-NE2 3.06Å; Y728-H737 HydrophobicContact CE1-CB 4.46Å; Y728-H737 HydrophobicContact CE2-CB 3.94Å; Y728-H737 AromaticContact CE2-CD2 3.72Å; Y728-H737 AromaticContact CE2-CG 3.72Å; Y728-H737 AromaticContact CZ-CG 3.7Å; Y728-H737 AromaticContact CZ-ND1 3.98Å; Y728-H737 VanDerWaalsContact OH-CG 3.31Å; Y728-H737 PolarHBondContact OH-ND1 2.98Å; Y728-H737 VanDerWaalsContact OH-ND1 3.12Å; S733-H737 VanDerWaalsContact O-CB 3.3Å; S733-H737 WeakPolarHBondContact O-CB 3.3Å; S733-H737 PolarHBondContact O-N 2.85Å; L734-H737 WeakPolarHBondContact O-CB 3.06Å; L734-H737 PolarHBondContact O-N 3.23Å; L734-H737 VanDerWaalsContact O-N 3.16Å; H737-K739 PolarHBondContact O-N 3.3Å; H737-G740 PolarHBondContact O-N 3.44Å; H737-N741 PolarHBondContact CE1-O 2.82Å; H737-N741 PolarHBondContact ND1-O 2.88Å; H737-N741 CarbonylContact O-C 3.58Å; H737-N741 PolarHBondContact O-N 2.85Å; H737-C742 VanDerWaalsContact CE1-CA 3.45Å; H737-C742 WeakPolarHBondContact CE1-CA 3.44Å; H737-C742 PolarHBondContact NE2-SG 3.02Å; H737-C742 PolarHBondContact O-N 2.85Å
738	L	77.4	Confident	65.9	Low	78 Å²	78	72 Å²	72	41%	0.408	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-25.4	176.8	-68.9	170.4	0	0	0	112.9	L734 G740	L734-L738 HydrophobicContact CD1-CD1 3.99Å; L734-L738 HydrophobicContact CD1-CD2 4.47Å; L734-L738 HydrophobicContact CD1-CG 3.93Å; L734-L738 HydrophobicContact CD2-CD1 4.47Å; L734-L738 HydrophobicContact CG-CD1 3.87Å; L734-L738 HydrophobicContact CG-CG 4.27Å; L734-L738 WeakPolarHBondContact O-CG 3.24Å; L734-L738 PolarHBondContact O-N 3.12Å; L738-G740 VanDerWaalsContact C-N 3.3Å; L738-G740 PolarHBondContact O-N 2.77Å
739	K	70.9	Confident	64.3	Low	192 Å²	192	72.6 Å²	72.6	84%	0.835	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	2.5	179.1	-167.6	162.7	-179.5	176.8	0	114.4	K735 V736 H737	K735-K739 VanDerWaalsContact O-CB 3.31Å; K735-K739 WeakPolarHBondContact O-CB 3.47Å; K735-K739 PolarHBondContact O-N 2.79Å; K735-K739 VanDerWaalsContact O-N 3.15Å; V736-K739 PolarHBondContact O-N 3.4Å; H737-K739 PolarHBondContact O-N 3.3Å
740	G	67.7	Low	63	Low	55 Å²	55	76.4 Å²	76.4	57%	0.567	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	162.2	-10.2	171.2	0	0	0	0	0	117.8	H737 L738	H737-G740 PolarHBondContact O-N 3.44Å; L738-G740 VanDerWaalsContact C-N 3.3Å; L738-G740 PolarHBondContact O-N 2.77Å
741	N	67.2	Low	61.9	Low	110 Å²	110	77.9 Å²	77.9	59%	0.588	48%	0.477	S	S	*	.			trans	-101.3	20.2	-178.5	-55.9	-23.7	0	0	0	113	H737	H737-N741 PolarHBondContact CE1-O 2.82Å; H737-N741 PolarHBondContact ND1-O 2.88Å; H737-N741 CarbonylContact O-C 3.58Å; H737-N741 PolarHBondContact O-N 2.85Å
742	C	65.5	Low	60.7	Low	10 Å²	10	81.5 Å²	81.5	7%	0.068	50%	0.496	C	S	.	.			trans	-92.2	125.7	172	-156.4	0	0	0	0	109.7	C724 H737 V744 V745	C724-C742 VanDerWaalsContact SG-SG 3.66Å; H737-C742 VanDerWaalsContact CE1-CA 3.45Å; H737-C742 WeakPolarHBondContact CE1-CA 3.44Å; H737-C742 PolarHBondContact NE2-SG 3.02Å; H737-C742 PolarHBondContact O-N 2.85Å; C742-V744 PolarHBondContact O-N 2.88Å; C742-V745 WeakPolarHBondContact O-CG2 3.47Å
743	P	64	Low	59.9	Low	96 Å²	96	85.3 Å²	85.3	62%	0.623	51%	0.509	S	S	*	.	S	Bend	trans	-77.2	-3	-178.9	31.9	-35.4	0	0	0	113.6	C724	C724-P743 HydrophobicContact CB-CG 4.14Å
744	V	57.2	Low	58.7	Low	73 Å²	73	86.9 Å²	86.9	44%	0.442	51%	0.514	S	S	.	.			trans	-119.9	79.2	-179.4	-173.7	0	0	0	0	108.3	Q723 C724 C742 P746	Q723-V744 HydrophobicContact CB-CB 4.42Å; C724-V744 HydrophobicContact CB-CG2 4.49Å; C742-V744 PolarHBondContact O-N 2.88Å; V744-P746 WeakPolarHBondContact O-CD 3.33Å
745	V	47.4	Very low	57.3	Low	108 Å²	108	90.2 Å²	90.2	66%	0.655	53%	0.531	S	S	*	.			trans	-108.5	105.7	174.9	177.6	0	0	0	0	110.1	C742	C742-V745 WeakPolarHBondContact O-CG2 3.47Å
746	P	42	Very low	56.5	Low	94 Å²	94	87.2 Å²	87.2	61%	0.61	52%	0.523	S	S	*	.			trans	-119.7	104.8	154.9	33.2	-20.4	0	0	0	110.2	V744	V744-P746 WeakPolarHBondContact O-CD 3.33Å
747	A	42.4	Very low	55.7	Low	76 Å²	76	89.8 Å²	89.8	63%	0.628	52%	0.524	S	S	*	.			trans	60.4	152.3	172.7	0	0	0	0	0	118.1	G749	A747-G749 VanDerWaalsContact C-N 3.28Å; A747-G749 PolarHBondContact O-N 3.11Å
748	P	42.3	Very low	54.6	Low	145 Å²	145	93 Å²	93	94%	0.942	54%	0.54	S	S	*	.	S	Bend	trans	-78.2	74.2	174.7	33	-35.1	0	0	0	111.1
749	G	38.5	Very low	53.5	Low	66 Å²	66	92.9 Å²	92.9	68%	0.68	54%	0.54	S	S	*	.			trans	-128.9	9.2	-172.6	0	0	0	0	0	116.8	A747	A747-G749 VanDerWaalsContact C-N 3.28Å; A747-G749 PolarHBondContact O-N 3.11Å
750	L	44	Very low	52.9	Low	104 Å²	104	88 Å²	88	55%	0.545	52%	0.52	S	S	.	.	S	Bend	trans	-73.8	139.1	169.7	-83.7	172.7	0	0	0	110.2	Q723 L752	Q723-L750 HydrophobicContact CG-CD1 3.97Å; L750-L752 PolarHBondContact O-N 3.41Å
751	P	46.1	Very low	52.1	Low	57 Å²	57	90.6 Å²	90.6	37%	0.37	52%	0.518	S	S	.	.			trans	-63.3	124.3	-166.7	23.9	-33.8	0	0	0	111.7	E753 D754	P751-E753 HydrophobicContact CB-CB 4.38Å; P751-E753 PolarHBondContact O-N 2.9Å; P751-E753 VanDerWaalsContact O-N 3.09Å; P751-D754 PolarHBondContact O-N 3.3Å
752	L	49	Very low	51.4	Low	128 Å²	128	89.1 Å²	89.1	67%	0.67	51%	0.509	S	S	*	.	H	α-helix	trans	-52.6	-30.9	172	-179.6	60.2	0	0	0	111.1	L750 D754 L755 T756	L750-L752 PolarHBondContact O-N 3.41Å; L752-D754 PolarHBondContact O-N 3.15Å; L752-L755 CarbonylContact O-C 3.51Å; L752-L755 PolarHBondContact O-N 3.46Å; L752-L755 VanDerWaalsContact O-N 3.1Å; L752-T756 HydrophobicContact CD1-CG2 4.49Å; L752-T756 HydrophobicContact CG-CG2 4.28Å; L752-T756 PolarHBondContact O-N 3.48Å; L752-T756 PolarHBondContact O-OG1 3.1Å
753	E	53	Low	50.8	Low	132 Å²	132	92.9 Å²	92.9	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-60	-33.8	-179.1	-60.8	153.5	143.6	0	0	113.9	P751 T756 R757	P751-E753 HydrophobicContact CB-CB 4.38Å; P751-E753 PolarHBondContact O-N 2.9Å; P751-E753 VanDerWaalsContact O-N 3.09Å; E753-T756 VanDerWaalsContact CA-OG1 3.31Å; E753-T756 WeakPolarHBondContact CA-OG1 3.45Å; E753-T756 PolarHBondContact O-OG1 2.65Å; E753-R757 WeakPolarHBondContact O-CB 3.42Å; E753-R757 PolarHBondContact O-N 3.41Å
754	D	51	Low	50.1	Low	75 Å²	75	93.3 Å²	93.3	40%	0.401	52%	0.515	S	S	.	.	H	α-helix	trans	-78.5	-31.1	174.6	-86.5	-20.3	0	0	0	111.8	P751 L752 R757 I758	P751-D754 PolarHBondContact O-N 3.3Å; L752-D754 PolarHBondContact O-N 3.15Å; D754-R757 PolarHBondContact O-N 2.73Å; D754-R757 IonicContact OD1-CZ 3.18Å; D754-R757 IonicContact OD1-NE 3.32Å; D754-R757 PolarHBondContact OD1-NE 3.19Å; D754-R757 IonicContact OD1-NH2 2.71Å; D754-R757 PolarHBondContact OD1-NH2 3.23Å; D754-I758 WeakPolarHBondContact O-CB 3.46Å; D754-I758 VanDerWaalsContact O-CG1 3.32Å; D754-I758 WeakPolarHBondContact O-CG1 3.47Å; D754-I758 PolarHBondContact O-N 2.96Å
755	L	51.8	Low	49.4	Very low	89 Å²	89	95.6 Å²	95.6	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-73.7	-33.3	174.2	-162.6	69.1	0	0	0	111.3	L752 N759	L752-L755 CarbonylContact O-C 3.51Å; L752-L755 PolarHBondContact O-N 3.46Å; L752-L755 VanDerWaalsContact O-N 3.1Å; L755-N759 VanDerWaalsContact O-CB 3.3Å; L755-N759 WeakPolarHBondContact O-CB 3.44Å; L755-N759 PolarHBondContact O-N 2.77Å
756	T	56.4	Low	49.3	Very low	56 Å²	56	91.7 Å²	91.7	34%	0.344	49%	0.494	S	S	.	.	H	α-helix	trans	-70.6	-43.1	167.7	58.7	0	0	0	0	110.9	L752 E753 I758 N759 E760	L752-T756 HydrophobicContact CD1-CG2 4.49Å; L752-T756 HydrophobicContact CG-CG2 4.28Å; L752-T756 PolarHBondContact O-N 3.48Å; L752-T756 PolarHBondContact O-OG1 3.1Å; E753-T756 VanDerWaalsContact CA-OG1 3.31Å; E753-T756 WeakPolarHBondContact CA-OG1 3.45Å; E753-T756 PolarHBondContact O-OG1 2.65Å; T756-I758 VanDerWaalsContact C-N 3.28Å; T756-I758 PolarHBondContact O-N 3.23Å; T756-N759 CarbonylContact O-C 3.58Å; T756-N759 PolarHBondContact O-N 2.8Å; T756-N759 VanDerWaalsContact O-N 3.13Å; T756-E760 VanDerWaalsContact O-CB 3.3Å; T756-E760 WeakPolarHBondContact O-CB 3.21Å; T756-E760 VanDerWaalsContact O-CG 3.27Å; T756-E760 WeakPolarHBondContact O-CG 3.23Å; T756-E760 PolarHBondContact O-N 2.99Å
757	R	58	Low	49.4	Very low	139 Å²	139	93.3 Å²	93.3	53%	0.525	50%	0.497	S	S	.	.	H	α-helix	trans	-54.2	-43.2	175.4	-163.4	-167.6	-40.3	-76.1	0.3	112.1	E753 D754 E761	E753-R757 WeakPolarHBondContact O-CB 3.42Å; E753-R757 PolarHBondContact O-N 3.41Å; D754-R757 PolarHBondContact O-N 2.73Å; D754-R757 IonicContact OD1-CZ 3.18Å; D754-R757 IonicContact OD1-NE 3.32Å; D754-R757 PolarHBondContact OD1-NE 3.19Å; D754-R757 IonicContact OD1-NH2 2.71Å; D754-R757 PolarHBondContact OD1-NH2 3.23Å; R757-E761 WeakPolarHBondContact O-CB 3.34Å; R757-E761 PolarHBondContact O-N 3.01Å
758	I	55.1	Low	49.5	Very low	71 Å²	71	91.4 Å²	91.4	36%	0.364	48%	0.479	S	S	.	.	H	α-helix	trans	-74.9	-40	177	-67	167.4	0	0	0	111.9	L731 D754 T756 E761 I762	L731-I758 HydrophobicContact CD2-CG2 4.44Å; D754-I758 WeakPolarHBondContact O-CB 3.46Å; D754-I758 VanDerWaalsContact O-CG1 3.32Å; D754-I758 WeakPolarHBondContact O-CG1 3.47Å; D754-I758 PolarHBondContact O-N 2.96Å; T756-I758 VanDerWaalsContact C-N 3.28Å; T756-I758 PolarHBondContact O-N 3.23Å; I758-E761 PolarHBondContact O-N 3.03Å; I758-I762 HydrophobicContact CG2-CD1 3.97Å; I758-I762 WeakPolarHBondContact O-CD1 3.37Å; I758-I762 VanDerWaalsContact O-CG1 3.26Å; I758-I762 WeakPolarHBondContact O-CG1 3.3Å; I758-I762 PolarHBondContact O-N 2.85Å
759	N	54.2	Low	49.7	Very low	74 Å²	74	85.9 Å²	85.9	40%	0.396	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-39.7	173.8	-84.2	-10.3	0	0	0	111.7	L755 T756 I762 E763	L755-N759 VanDerWaalsContact O-CB 3.3Å; L755-N759 WeakPolarHBondContact O-CB 3.44Å; L755-N759 PolarHBondContact O-N 2.77Å; T756-N759 CarbonylContact O-C 3.58Å; T756-N759 PolarHBondContact O-N 2.8Å; T756-N759 VanDerWaalsContact O-N 3.13Å; N759-I762 CarbonylContact O-C 3.49Å; N759-I762 PolarHBondContact O-N 3.22Å; N759-E763 WeakPolarHBondContact O-CG 3.35Å; N759-E763 PolarHBondContact O-N 2.85Å
760	E	57.3	Low	50.1	Low	91 Å²	91	86.4 Å²	86.4	43%	0.425	43%	0.429	S	S	.	.	H	α-helix	trans	-65.3	-39	173	-75.1	172.6	-140.2	0	0	111.4	T756 I762 E763 R764	T756-E760 VanDerWaalsContact O-CB 3.3Å; T756-E760 WeakPolarHBondContact O-CB 3.21Å; T756-E760 VanDerWaalsContact O-CG 3.27Å; T756-E760 WeakPolarHBondContact O-CG 3.23Å; T756-E760 PolarHBondContact O-N 2.99Å; E760-I762 VanDerWaalsContact C-N 3.29Å; E760-I762 PolarHBondContact O-N 2.85Å; E760-E763 CarbonylContact O-C 3.58Å; E760-E763 PolarHBondContact O-N 3.46Å; E760-R764 VanDerWaalsContact CB-NH2 3.32Å; E760-R764 VanDerWaalsContact O-CB 3.27Å; E760-R764 WeakPolarHBondContact O-CB 3.15Å; E760-R764 WeakPolarHBondContact O-CG 3.41Å; E760-R764 PolarHBondContact O-N 2.77Å; E760-R764 IonicContact OE2-CZ 2.69Å; E760-R764 IonicContact OE2-NH2 2.73Å; E760-R764 PolarHBondContact OE2-NH2 3.12Å
761	E	52.1	Low	50.2	Low	109 Å²	109	84 Å²	84	51%	0.509	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-37	174.7	-171.4	166.2	-117.9	0	0	111	R757 I758 R764 F765	R757-E761 WeakPolarHBondContact O-CB 3.34Å; R757-E761 PolarHBondContact O-N 3.01Å; I758-E761 PolarHBondContact O-N 3.03Å; E761-R764 PolarHBondContact O-N 3.25Å; E761-F765 WeakPolarHBondContact O-CD2 3.31Å; E761-F765 PolarHBondContact O-N 3.41Å
762	I	52.1	Low	50.1	Low	78 Å²	78	84.7 Å²	84.7	40%	0.4	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-38	171.1	-66.6	162.8	0	0	0	111.8	L731 I758 N759 E760 F765	L731-I762 HydrophobicContact CD2-CD1 3.51Å; I758-I762 HydrophobicContact CG2-CD1 3.97Å; I758-I762 WeakPolarHBondContact O-CD1 3.37Å; I758-I762 VanDerWaalsContact O-CG1 3.26Å; I758-I762 WeakPolarHBondContact O-CG1 3.3Å; I758-I762 PolarHBondContact O-N 2.85Å; N759-I762 CarbonylContact O-C 3.49Å; N759-I762 PolarHBondContact O-N 3.22Å; E760-I762 VanDerWaalsContact C-N 3.29Å; E760-I762 PolarHBondContact O-N 2.85Å; I762-F765 CarbonylContact O-C 3.57Å; I762-F765 PolarHBondContact O-N 2.99Å; I762-F765 VanDerWaalsContact O-O 3.07Å
763	E	52.1	Low	50.2	Low	90 Å²	90	84.3 Å²	84.3	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-74.6	-22.2	174	-74.4	-156.7	156.9	0	0	112.7	R633 K642 N759 E760	R633-E763 PolarHBondContact NH2-O 2.99Å; K642-E763 IonicContact NZ-OE1 2.78Å; K642-E763 PolarHBondContact NZ-OE1 3.27Å; N759-E763 WeakPolarHBondContact O-CG 3.35Å; N759-E763 PolarHBondContact O-N 2.85Å; E760-E763 CarbonylContact O-C 3.58Å; E760-E763 PolarHBondContact O-N 3.46Å
764	R	49.4	Very low	50.1	Low	105 Å²	105	80.1 Å²	80.1	40%	0.396	40%	0.396	S	S	.	.	H	α-helix	trans	-78.6	-29.5	169.2	-75.3	177.7	-116.9	131.5	-6.2	111.1	E760 E761 D766	E760-R764 VanDerWaalsContact CB-NH2 3.32Å; E760-R764 VanDerWaalsContact O-CB 3.27Å; E760-R764 WeakPolarHBondContact O-CB 3.15Å; E760-R764 WeakPolarHBondContact O-CG 3.41Å; E760-R764 PolarHBondContact O-N 2.77Å; E760-R764 IonicContact OE2-CZ 2.69Å; E760-R764 IonicContact OE2-NH2 2.73Å; E760-R764 PolarHBondContact OE2-NH2 3.12Å; E761-R764 PolarHBondContact O-N 3.25Å; R764-D766 PolarHBondContact O-N 2.81Å
765	F	43	Very low	49.8	Very low	121 Å²	121	81.4 Å²	81.4	53%	0.531	40%	0.399	S	S	.	.	S	Bend	trans	-76.1	67.7	163	-94.2	-88.1	0	0	0	110.7	E761 I762 L767	E761-F765 WeakPolarHBondContact O-CD2 3.31Å; E761-F765 PolarHBondContact O-N 3.41Å; I762-F765 CarbonylContact O-C 3.57Å; I762-F765 PolarHBondContact O-N 2.99Å; I762-F765 VanDerWaalsContact O-O 3.07Å; F765-L767 PolarHBondContact O-N 2.71Å
766	D	45.2	Very low	49.6	Very low	26 Å²	26	81.9 Å²	81.9	14%	0.139	40%	0.402	C	S	.	.			trans	-54.2	104	169.8	-85.4	-48.1	0	0	0	109.5	R633 R764 S768 D769 N770	R633-D766 IonicContact CZ-OD2 2.67Å; R633-D766 VanDerWaalsContact NH2-CG 3.34Å; R633-D766 IonicContact NH2-OD1 2.74Å; R633-D766 PolarHBondContact NH2-OD1 3.43Å; R633-D766 IonicContact NH2-OD2 3.8Å; R633-D766 PolarHBondContact NH2-OD2 3.28Å; R764-D766 PolarHBondContact O-N 2.81Å; D766-S768 PolarHBondContact O-N 2.87Å; D766-D769 HydrophobicContact CB-CB 4.38Å; D766-D769 WeakPolarHBondContact CB-OD1 3.47Å; D766-D769 PolarHBondContact O-N 3.44Å; D766-N770 PolarHBondContact O-ND2 3.07Å
767	L	44.9	Very low	49.2	Very low	127 Å²	127	84.1 Å²	84.1	67%	0.665	41%	0.41	S	S	*	.	S	Bend	trans	-71.4	-18.7	-175.1	-72.8	173.1	0	0	0	111.9	F765 N770 A771	F765-L767 PolarHBondContact O-N 2.71Å; L767-N770 PolarHBondContact O-N 2.74Å; L767-A771 WeakPolarHBondContact O-CB 3.37Å; L767-A771 PolarHBondContact O-N 3.43Å
768	S	44	Very low	48.6	Very low	37 Å²	37	83.1 Å²	83.1	26%	0.259	41%	0.411	S	S	.	.	H	α-helix	trans	-55.7	-53.3	165.4	40	0	0	0	0	111.5	D766 N770 A771 D772	D766-S768 PolarHBondContact O-N 2.87Å; S768-N770 PolarHBondContact O-N 3.48Å; S768-A771 PolarHBondContact O-N 2.81Å; S768-D772 PolarHBondContact O-N 2.84Å
769	D	46.1	Very low	48	Very low	28 Å²	28	85.9 Å²	85.9	15%	0.15	43%	0.427	C	S	.	.	H	α-helix	trans	-71.2	-7.8	-173.5	-59.2	51.2	0	0	0	112.2	Q646 H649 D766 R773	Q646-D769 PolarHBondContact NE2-OD2 3.36Å; H649-D769 IonicContact CE1-OD1 2.6Å; H649-D769 PolarHBondContact CE1-OD1 2.95Å; H649-D769 IonicContact CE1-OD2 2.84Å; H649-D769 IonicContact ND1-OD1 2.8Å; H649-D769 PolarHBondContact ND1-OD1 3.03Å; H649-D769 VanDerWaalsContact ND1-OD1 3.09Å; D766-D769 HydrophobicContact CB-CB 4.38Å; D766-D769 WeakPolarHBondContact CB-OD1 3.47Å; D766-D769 PolarHBondContact O-N 3.44Å; D769-R773 VanDerWaalsContact O-CD 3.3Å; D769-R773 WeakPolarHBondContact O-CD 3.47Å; D769-R773 VanDerWaalsContact O-CG 3.3Å; D769-R773 WeakPolarHBondContact O-CG 3.38Å
770	N	46.5	Very low	47.5	Very low	78 Å²	78	84.5 Å²	84.5	42%	0.417	42%	0.423	S	S	.	.	H	α-helix	trans	-105.7	-19	171.5	-68.6	-96.5	0	0	0	113	D766 L767 S768	D766-N770 PolarHBondContact O-ND2 3.07Å; L767-N770 PolarHBondContact O-N 2.74Å; S768-N770 PolarHBondContact O-N 3.48Å
771	A	46	Very low	47.2	Very low	52 Å²	52	85.8 Å²	85.8	43%	0.43	44%	0.437	S	S	.	.	H	α-helix	trans	-81.9	-49.7	174.9	0	0	0	0	0	110.8	L767 S768 R773 L774	L767-A771 WeakPolarHBondContact O-CB 3.37Å; L767-A771 PolarHBondContact O-N 3.43Å; S768-A771 PolarHBondContact O-N 2.81Å; A771-R773 PolarHBondContact O-N 3.12Å; A771-L774 PolarHBondContact O-N 3.14Å
772	D	44.8	Very low	47.2	Very low	73 Å²	73	85.9 Å²	85.9	39%	0.39	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.6	179.1	-67.2	9.4	0	0	0	111.2	H649 K652 S768	H649-D772 IonicContact NE2-OD2 2.58Å; K652-D772 IonicContact NZ-OD1 3.78Å; K652-D772 PolarHBondContact NZ-OD1 3.26Å; K652-D772 IonicContact NZ-OD2 2.69Å; K652-D772 PolarHBondContact NZ-OD2 2.9Å; S768-D772 PolarHBondContact O-N 2.84Å
773	R	50.3	Low	47.2	Very low	120 Å²	120	85.5 Å²	85.5	45%	0.453	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.7	173.9	-74.9	-170.3	68.8	142.4	5.3	116	D769 A771	D769-R773 VanDerWaalsContact O-CD 3.3Å; D769-R773 WeakPolarHBondContact O-CD 3.47Å; D769-R773 VanDerWaalsContact O-CG 3.3Å; D769-R773 WeakPolarHBondContact O-CG 3.38Å; A771-R773 PolarHBondContact O-N 3.12Å
774	L	52.2	Low	47.3	Very low	44 Å²	44	84.7 Å²	84.7	23%	0.23	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-37.2	176.3	-89.7	159.4	0	0	0	111.6	F703 A771 D776 M777	F703-L774 HydrophobicContact CB-CD1 4.48Å; F703-L774 HydrophobicContact CD1-CD1 4.03Å; F703-L774 HydrophobicContact CD1-CD2 3.92Å; F703-L774 HydrophobicContact CE1-CD2 4.22Å; F703-L774 HydrophobicContact CG-CD2 4.26Å; A771-L774 PolarHBondContact O-N 3.14Å; L774-D776 PolarHBondContact O-N 3.38Å; L774-D776 VanDerWaalsContact O-N 3.11Å; L774-M777 PolarHBondContact O-N 3.47Å
775	E	44.6	Very low	48	Very low	102 Å²	102	81.9 Å²	81.9	48%	0.477	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	0.3	175.9	-56.9	-164.7	139.6	0	0	112.9	K70 K679	K70-E775 PolarHBondContact NZ-O 2.92Å; K679-E775 IonicContact NZ-OE1 3.18Å; K679-E775 PolarHBondContact NZ-OE1 2.88Å
776	D	46.7	Very low	49	Very low	99 Å²	99	82.2 Å²	82.2	53%	0.529	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-9.2	173.7	-77.1	-7.5	0	0	0	114.5	K70 L774	K70-D776 WeakPolarHBondContact CE-OD1 3.35Å; K70-D776 IonicContact NZ-OD1 2.63Å; K70-D776 PolarHBondContact NZ-OD1 3.1Å; L774-D776 PolarHBondContact O-N 3.38Å; L774-D776 VanDerWaalsContact O-N 3.11Å
777	M	47.9	Very low	50.1	Low	103 Å²	103	84.1 Å²	84.1	51%	0.507	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-3.9	-169.3	-161.8	161.1	56.3	0	0	113.4	L774 D779 S780	L774-M777 PolarHBondContact O-N 3.47Å; M777-D779 VanDerWaalsContact C-N 3.31Å; M777-S780 PolarHBondContact O-N 3.38Å
778	E	46.6	Very low	51.1	Low	118 Å²	118	81.4 Å²	81.4	55%	0.551	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.7	176.4	-66.5	-177.2	163.1	0	0	111.9	Y691	Y691-E778 PolarHBondContact OH-OE1 3.27Å
779	D	43	Very low	52.4	Low	129 Å²	129	86.4 Å²	86.4	69%	0.69	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.9	175.7	-54.1	-53.6	0	0	0	114.3	M777 V781	M777-D779 VanDerWaalsContact C-N 3.31Å; D779-V781 PolarHBondContact O-N 3.34Å
780	S	42.2	Very low	53.7	Low	45 Å²	45	91.2 Å²	91.2	32%	0.315	48%	0.479	S	S	.	.			trans	-95.2	76	-174.9	-161.4	0	0	0	0	112.8	M777 D782 V783 T784	M777-S780 PolarHBondContact O-N 3.38Å; S780-D782 VanDerWaalsContact C-N 3.3Å; S780-D782 PolarHBondContact O-N 2.94Å; S780-V783 PolarHBondContact O-N 2.9Å; S780-V783 WeakPolarHBondContact OG-CG2 3.19Å; S780-T784 PolarHBondContact O-N 2.83Å; S780-T784 PolarHBondContact O-OG1 3.17Å
781	V	51.7	Low	54.8	Low	117 Å²	117	91.3 Å²	91.3	71%	0.709	48%	0.479	S	S	*	.	H	α-helix	trans	-58.1	-39.8	-178.7	-173.1	0	0	0	0	112.2	D779 T784 S785	D779-V781 PolarHBondContact O-N 3.34Å; V781-T784 PolarHBondContact O-N 3.1Å; V781-S785 VanDerWaalsContact O-CB 3.31Å; V781-S785 WeakPolarHBondContact O-CB 3.41Å; V781-S785 PolarHBondContact O-N 3.38Å
782	D	51.5	Low	56.1	Low	112 Å²	112	93.6 Å²	93.6	60%	0.599	48%	0.484	S	S	*	.	H	α-helix	trans	-63.2	-46.7	-178.3	-101.6	-15.6	0	0	0	113.7	S780 T784 S785 M786	S780-D782 VanDerWaalsContact C-N 3.3Å; S780-D782 PolarHBondContact O-N 2.94Å; D782-T784 VanDerWaalsContact C-N 3.32Å; D782-T784 PolarHBondContact O-N 3.19Å; D782-S785 WeakPolarHBondContact O-CB 3.43Å; D782-S785 PolarHBondContact O-N 3.17Å; D782-M786 WeakPolarHBondContact O-CB 3.28Å; D782-M786 PolarHBondContact O-N 2.93Å
783	V	52.2	Low	57.5	Low	70 Å²	70	92.6 Å²	92.6	42%	0.424	49%	0.485	S	S	.	.	H	α-helix	trans	-67.8	-38	-177.6	178.3	0	0	0	0	110.4	S780 M786 V787	S780-V783 PolarHBondContact O-N 2.9Å; S780-V783 WeakPolarHBondContact OG-CG2 3.19Å; V783-M786 PolarHBondContact O-N 3.29Å; V783-V787 WeakPolarHBondContact O-CG2 3.42Å; V783-V787 PolarHBondContact O-N 3.3Å
784	T	53.5	Low	58.5	Low	72 Å²	72	91.4 Å²	91.4	44%	0.442	49%	0.487	S	S	.	.	H	α-helix	trans	-63.7	-46.5	174.2	-51.7	0	0	0	0	110.7	S780 V781 D782 M786 V787 E788	S780-T784 PolarHBondContact O-N 2.83Å; S780-T784 PolarHBondContact O-OG1 3.17Å; V781-T784 PolarHBondContact O-N 3.1Å; D782-T784 VanDerWaalsContact C-N 3.32Å; D782-T784 PolarHBondContact O-N 3.19Å; T784-M786 VanDerWaalsContact C-N 3.35Å; T784-M786 PolarHBondContact O-N 2.81Å; T784-V787 PolarHBondContact O-N 3.3Å; T784-E788 WeakPolarHBondContact O-CB 3.37Å; T784-E788 VanDerWaalsContact O-CG 3.28Å; T784-E788 WeakPolarHBondContact O-CG 3.31Å; T784-E788 PolarHBondContact O-N 3.27Å
785	S	66	Low	59.4	Low	47 Å²	47	93 Å²	93	33%	0.329	50%	0.499	S	S	.	.	H	α-helix	trans	-58.9	-41.1	174.9	-177.2	0	0	0	0	112.9	V781 D782 E788 K789	V781-S785 VanDerWaalsContact O-CB 3.31Å; V781-S785 WeakPolarHBondContact O-CB 3.41Å; V781-S785 PolarHBondContact O-N 3.38Å; D782-S785 WeakPolarHBondContact O-CB 3.43Å; D782-S785 PolarHBondContact O-N 3.17Å; S785-E788 PolarHBondContact O-N 3.35Å; S785-K789 WeakPolarHBondContact O-CG 3.43Å; S785-K789 PolarHBondContact O-N 3.09Å
786	M	62.7	Low	60.8	Low	127 Å²	127	95 Å²	95	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-68.9	-46.2	-180	-167.6	168.2	71.7	0	0	112.2	D782 V783 T784 E788 K789 E790	D782-M786 WeakPolarHBondContact O-CB 3.28Å; D782-M786 PolarHBondContact O-N 2.93Å; V783-M786 PolarHBondContact O-N 3.29Å; T784-M786 VanDerWaalsContact C-N 3.35Å; T784-M786 PolarHBondContact O-N 2.81Å; M786-E788 VanDerWaalsContact C-N 3.28Å; M786-E788 PolarHBondContact O-N 2.78Å; M786-K789 PolarHBondContact O-N 2.86Å; M786-E790 WeakPolarHBondContact O-CB 3.29Å; M786-E790 PolarHBondContact O-N 2.59Å
787	V	68.2	Low	62.1	Low	67 Å²	67	96.2 Å²	96.2	41%	0.406	50%	0.502	S	S	.	.	H	α-helix	trans	-64.1	-34.1	174.9	172.6	0	0	0	0	111.3	V783 T784 E790 I791	V783-V787 WeakPolarHBondContact O-CG2 3.42Å; V783-V787 PolarHBondContact O-N 3.3Å; T784-V787 PolarHBondContact O-N 3.3Å; V787-E790 PolarHBondContact O-N 3.34Å; V787-I791 HydrophobicContact CG1-CD1 3.89Å; V787-I791 WeakPolarHBondContact O-CB 3.45Å; V787-I791 VanDerWaalsContact O-CG1 3.25Å; V787-I791 WeakPolarHBondContact O-CG1 3.21Å; V787-I791 PolarHBondContact O-N 3.44Å
788	E	66.3	Low	62.9	Low	70 Å²	70	97.2 Å²	97.2	33%	0.327	51%	0.506	S	S	.	.	H	α-helix	trans	-70.3	-38.8	174.4	-73.9	-169.5	-175.5	0	0	113.2	K694 T784 S785 M786 E790 L792	K694-E788 WeakPolarHBondContact CE-OE1 3.26Å; K694-E788 IonicContact NZ-OE1 2.99Å; K694-E788 PolarHBondContact NZ-OE1 2.61Å; K694-E788 IonicContact NZ-OE2 3.28Å; K694-E788 PolarHBondContact NZ-OE2 3.11Å; T784-E788 WeakPolarHBondContact O-CB 3.37Å; T784-E788 VanDerWaalsContact O-CG 3.28Å; T784-E788 WeakPolarHBondContact O-CG 3.31Å; T784-E788 PolarHBondContact O-N 3.27Å; S785-E788 PolarHBondContact O-N 3.35Å; M786-E788 VanDerWaalsContact C-N 3.28Å; M786-E788 PolarHBondContact O-N 2.78Å; E788-E790 VanDerWaalsContact C-N 3.34Å; E788-L792 VanDerWaalsContact O-CB 3.29Å; E788-L792 WeakPolarHBondContact O-CB 3.28Å; E788-L792 VanDerWaalsContact O-CG 3.25Å; E788-L792 WeakPolarHBondContact O-CG 3.39Å; E788-L792 PolarHBondContact O-N 3.05Å
789	K	72.4	Confident	63.9	Low	142 Å²	142	99.1 Å²	99.1	62%	0.617	51%	0.512	S	S	*	.	H	α-helix	trans	-61.6	-41.6	171.1	-75.8	170.7	-177.2	174.2	0	111.7	S785 M786 L792 A793	S785-K789 WeakPolarHBondContact O-CG 3.43Å; S785-K789 PolarHBondContact O-N 3.09Å; M786-K789 PolarHBondContact O-N 2.86Å; K789-L792 CarbonylContact O-C 3.55Å; K789-L792 PolarHBondContact O-N 3.31Å; K789-A793 WeakPolarHBondContact O-CB 3.33Å; K789-A793 PolarHBondContact O-N 2.98Å
790	E	71.6	Confident	64.7	Low	128 Å²	128	98 Å²	98	60%	0.598	50%	0.503	S	S	*	.	H	α-helix	trans	-65.9	-45.1	178.7	-167.4	170.9	-127.3	0	0	111.7	M786 V787 E788 L792 A793 I794	M786-E790 WeakPolarHBondContact O-CB 3.29Å; M786-E790 PolarHBondContact O-N 2.59Å; V787-E790 PolarHBondContact O-N 3.34Å; E788-E790 VanDerWaalsContact C-N 3.34Å; E790-L792 PolarHBondContact O-N 3.22Å; E790-A793 WeakPolarHBondContact O-CB 3.23Å; E790-A793 PolarHBondContact O-N 3.25Å; E790-A793 VanDerWaalsContact O-N 3.15Å; E790-I794 HydrophobicContact CG-CD1 4.5Å; E790-I794 WeakPolarHBondContact O-CG1 3.48Å; E790-I794 PolarHBondContact O-N 3.1Å
791	I	70.1	Confident	65.3	Low	81 Å²	81	100.2 Å²	100.2	42%	0.415	51%	0.508	S	S	.	.	H	α-helix	trans	-60.7	-43	172.1	-68.7	166	0	0	0	111.2	V787 A793 I794 V795	V787-I791 HydrophobicContact CG1-CD1 3.89Å; V787-I791 WeakPolarHBondContact O-CB 3.45Å; V787-I791 VanDerWaalsContact O-CG1 3.25Å; V787-I791 WeakPolarHBondContact O-CG1 3.21Å; V787-I791 PolarHBondContact O-N 3.44Å; I791-A793 VanDerWaalsContact C-N 3.26Å; I791-A793 PolarHBondContact O-N 3.43Å; I791-I794 PolarHBondContact O-N 3.47Å; I791-V795 HydrophobicContact CG2-CG2 4.41Å; I791-V795 WeakPolarHBondContact O-CB 3.39Å; I791-V795 WeakPolarHBondContact O-CG2 3.37Å; I791-V795 PolarHBondContact O-N 2.77Å
792	L	74	Confident	65.3	Low	100 Å²	100	99.3 Å²	99.3	52%	0.524	50%	0.503	S	S	.	.	H	α-helix	trans	-71.9	-15.6	177.1	-73.8	170.2	0	0	0	114	E788 K789 E790 R796	E788-L792 VanDerWaalsContact O-CB 3.29Å; E788-L792 WeakPolarHBondContact O-CB 3.28Å; E788-L792 VanDerWaalsContact O-CG 3.25Å; E788-L792 WeakPolarHBondContact O-CG 3.39Å; E788-L792 PolarHBondContact O-N 3.05Å; K789-L792 CarbonylContact O-C 3.55Å; K789-L792 PolarHBondContact O-N 3.31Å; E790-L792 PolarHBondContact O-N 3.22Å; L792-R796 WeakPolarHBondContact O-CB 3.42Å; L792-R796 PolarHBondContact O-N 3.15Å; L792-R796 PolarHBondContact O-NE 3.25Å; L792-R796 VanDerWaalsContact O-NE 3.13Å
793	A	74	Confident	65	Low	51 Å²	51	96.3 Å²	96.3	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-82.1	-46.1	170.2	0	0	0	0	0	110.4	K789 E790 I791 V795 R796 K797	K789-A793 WeakPolarHBondContact O-CB 3.33Å; K789-A793 PolarHBondContact O-N 2.98Å; E790-A793 WeakPolarHBondContact O-CB 3.23Å; E790-A793 PolarHBondContact O-N 3.25Å; E790-A793 VanDerWaalsContact O-N 3.15Å; I791-A793 VanDerWaalsContact C-N 3.26Å; I791-A793 PolarHBondContact O-N 3.43Å; A793-V795 PolarHBondContact O-N 3.48Å; A793-R796 PolarHBondContact O-N 3.45Å; A793-K797 WeakPolarHBondContact O-CB 3.24Å; A793-K797 PolarHBondContact O-N 3.46Å
794	I	71.8	Confident	64.7	Low	96 Å²	96	99.9 Å²	99.9	49%	0.492	51%	0.514	S	S	.	.	H	α-helix	trans	-59	-49.1	175.2	-65.5	164.1	0	0	0	110.6	E790 I791 R796 K797 E798	E790-I794 HydrophobicContact CG-CD1 4.5Å; E790-I794 WeakPolarHBondContact O-CG1 3.48Å; E790-I794 PolarHBondContact O-N 3.1Å; I791-I794 PolarHBondContact O-N 3.47Å; I794-R796 VanDerWaalsContact C-N 3.3Å; I794-R796 PolarHBondContact O-N 3.15Å; I794-K797 PolarHBondContact O-N 3.41Å; I794-K797 VanDerWaalsContact O-N 3.17Å; I794-E798 PolarHBondContact O-N 3.06Å
795	V	71.2	Confident	64.1	Low	78 Å²	78	104.7 Å²	104.7	47%	0.473	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-30.6	179.3	171.7	0	0	0	0	112.5	I791 A793 K799	I791-V795 HydrophobicContact CG2-CG2 4.41Å; I791-V795 WeakPolarHBondContact O-CB 3.39Å; I791-V795 WeakPolarHBondContact O-CG2 3.37Å; I791-V795 PolarHBondContact O-N 2.77Å; A793-V795 PolarHBondContact O-N 3.48Å; V795-K799 WeakPolarHBondContact O-CB 3.27Å; V795-K799 PolarHBondContact O-N 3.11Å; V795-K799 VanDerWaalsContact O-N 3.11Å
796	R	73.8	Confident	62.7	Low	144 Å²	144	110.7 Å²	110.7	54%	0.543	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-47.4	170.6	-105.8	-179.9	-70.1	-170.8	-0	111.6	L792 A793 I794 E798 K799 E800	L792-R796 WeakPolarHBondContact O-CB 3.42Å; L792-R796 PolarHBondContact O-N 3.15Å; L792-R796 PolarHBondContact O-NE 3.25Å; L792-R796 VanDerWaalsContact O-NE 3.13Å; A793-R796 PolarHBondContact O-N 3.45Å; I794-R796 VanDerWaalsContact C-N 3.3Å; I794-R796 PolarHBondContact O-N 3.15Å; R796-E798 VanDerWaalsContact C-N 3.33Å; R796-E798 PolarHBondContact O-N 3.27Å; R796-K799 CarbonylContact O-C 3.4Å; R796-K799 WeakPolarHBondContact O-CA 3.42Å; R796-K799 WeakPolarHBondContact O-CB 3.26Å; R796-K799 PolarHBondContact O-N 2.84Å; R796-E800 WeakPolarHBondContact O-CB 3.17Å; R796-E800 WeakPolarHBondContact O-CG 3.37Å; R796-E800 PolarHBondContact O-N 3.16Å
797	K	73.1	Confident	61.1	Low	124 Å²	124	109.5 Å²	109.5	54%	0.539	56%	0.558	S	S	.	*	H	α-helix	trans	-59.3	-42.3	178.5	-164.4	171.5	-168.5	-81.9	0	111.8	A793 I794 E800 E801	A793-K797 WeakPolarHBondContact O-CB 3.24Å; A793-K797 PolarHBondContact O-N 3.46Å; I794-K797 PolarHBondContact O-N 3.41Å; I794-K797 VanDerWaalsContact O-N 3.17Å; K797-E800 PolarHBondContact O-N 3.15Å; K797-E801 IonicContact NZ-OE1 2.88Å; K797-E801 PolarHBondContact NZ-OE1 3.31Å; K797-E801 VanDerWaalsContact O-CB 3.31Å; K797-E801 WeakPolarHBondContact O-CB 3.14Å; K797-E801 WeakPolarHBondContact O-CG 3.45Å; K797-E801 PolarHBondContact O-N 3.1Å
798	E	65.3	Low	59.4	Low	123 Å²	123	114.4 Å²	114.4	58%	0.575	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-39.6	172.2	-72.2	-171.6	130.2	0	0	112.5	I794 R796 T802	I794-E798 PolarHBondContact O-N 3.06Å; R796-E798 VanDerWaalsContact C-N 3.33Å; R796-E798 PolarHBondContact O-N 3.27Å; E798-T802 WeakPolarHBondContact O-CB 3.13Å; E798-T802 WeakPolarHBondContact O-CG2 3.49Å; E798-T802 PolarHBondContact O-N 2.73Å; E798-T802 PolarHBondContact O-OG1 2.83Å
799	K	67.2	Low	58.1	Low	159 Å²	159	120.5 Å²	120.5	69%	0.691	61%	0.61	S	S	*	*	H	α-helix	trans	-68.2	-34.6	176.7	-170.8	179.1	179.3	-174.9	0	112.7	V795 R796 T802 G803	V795-K799 WeakPolarHBondContact O-CB 3.27Å; V795-K799 PolarHBondContact O-N 3.11Å; V795-K799 VanDerWaalsContact O-N 3.11Å; R796-K799 CarbonylContact O-C 3.4Å; R796-K799 WeakPolarHBondContact O-CA 3.42Å; R796-K799 WeakPolarHBondContact O-CB 3.26Å; R796-K799 PolarHBondContact O-N 2.84Å; K799-T802 WeakPolarHBondContact CA-OG1 3.27Å; K799-T802 PolarHBondContact O-OG1 3.41Å; K799-G803 PolarHBondContact O-N 2.91Å
800	E	60.2	Low	56.2	Low	105 Å²	105	123.1 Å²	123.1	49%	0.491	62%	0.621	S	S	.	*	H	α-helix	trans	-75.8	-44.7	177.9	-72.2	152.9	-155.9	0	0	110.7	R796 K797 T802 G803 L804	R796-E800 WeakPolarHBondContact O-CB 3.17Å; R796-E800 WeakPolarHBondContact O-CG 3.37Å; R796-E800 PolarHBondContact O-N 3.16Å; K797-E800 PolarHBondContact O-N 3.15Å; E800-T802 VanDerWaalsContact C-N 3.3Å; E800-T802 PolarHBondContact O-N 3.24Å; E800-G803 PolarHBondContact O-N 3.27Å; E800-L804 WeakPolarHBondContact O-CB 3.42Å; E800-L804 WeakPolarHBondContact O-CG 3.3Å; E800-L804 PolarHBondContact O-N 3.36Å
801	E	54.5	Low	54.4	Low	92 Å²	92	122.5 Å²	122.5	43%	0.43	63%	0.626	S	S	.	*	H	α-helix	trans	-68	-24.3	175.1	-73	-178.6	-162.9	0	0	113.8	K797 K805	K797-E801 IonicContact NZ-OE1 2.88Å; K797-E801 PolarHBondContact NZ-OE1 3.31Å; K797-E801 VanDerWaalsContact O-CB 3.31Å; K797-E801 WeakPolarHBondContact O-CB 3.14Å; K797-E801 WeakPolarHBondContact O-CG 3.45Å; K797-E801 PolarHBondContact O-N 3.1Å; E801-K805 WeakPolarHBondContact O-CD 3.42Å
802	T	50.8	Low	52.7	Low	97 Å²	97	127.5 Å²	127.5	60%	0.595	65%	0.65	S	S	*	*	H	α-helix	trans	-85.7	-34.7	171.1	50	0	0	0	0	112.9	E798 K799 E800	E798-T802 WeakPolarHBondContact O-CB 3.13Å; E798-T802 WeakPolarHBondContact O-CG2 3.49Å; E798-T802 PolarHBondContact O-N 2.73Å; E798-T802 PolarHBondContact O-OG1 2.83Å; K799-T802 WeakPolarHBondContact CA-OG1 3.27Å; K799-T802 PolarHBondContact O-OG1 3.41Å; E800-T802 VanDerWaalsContact C-N 3.3Å; E800-T802 PolarHBondContact O-N 3.24Å
803	G	45.8	Very low	50.8	Low	49 Å²	49	126.4 Å²	126.4	51%	0.505	66%	0.663	S	S	.	*	H	α-helix	trans	-66.6	-41.8	173.9	0	0	0	0	0	113.5	K799 E800 K805 M806	K799-G803 PolarHBondContact O-N 2.91Å; E800-G803 PolarHBondContact O-N 3.27Å; G803-K805 PolarHBondContact O-N 3.16Å; G803-M806 PolarHBondContact O-N 3.43Å
804	L	45.9	Very low	48.7	Very low	146 Å²	146	129.3 Å²	129.3	76%	0.764	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-9.6	-177.6	-70.9	168.3	0	0	0	114.2	E800	E800-L804 WeakPolarHBondContact O-CB 3.42Å; E800-L804 WeakPolarHBondContact O-CG 3.3Å; E800-L804 PolarHBondContact O-N 3.36Å
805	K	41	Very low	46.9	Very low	172 Å²	172	136.1 Å²	136.1	75%	0.748	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	7	175.8	-75.9	176.6	179.7	165.7	0	114.4	E801 G803	E801-K805 WeakPolarHBondContact O-CD 3.42Å; G803-K805 PolarHBondContact O-N 3.16Å
806	M	36.6	Very low	45.2	Very low	173 Å²	173	140.2 Å²	140.2	85%	0.852	72%	0.718	S	S	*	*	S	Bend	trans	-122.6	36.3	178.4	-64.2	-151.7	72.8	0	0	114.1	G803	G803-M806 PolarHBondContact O-N 3.43Å
807	S	30.1	Very low	43.6	Very low	103 Å²	103	138.5 Å²	138.5	72%	0.72	73%	0.726	S	S	*	*			trans	-153.3	61.1	177	-178.4	0	0	0	0	114.3
808	L	32.6	Very low	42	Very low	169 Å²	169	138.1 Å²	138.1	89%	0.885	74%	0.739	S	S	*	*			trans	-157.6	58.2	173.6	-122.7	172.2	0	0	0	116.2
809	Q	37.5	Very low	40.6	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	75%	0.753	S	S	*	*			trans	-161.4	100.9	148.3	-117.7	172.6	-0.3	0	0	112.3
810	K	33.3	Very low	39	Very low	198 Å²	198	134.2 Å²	134.2	86%	0.861	76%	0.757	S	S	*	*			trans	-101.3	149.9	153.5	-76.5	179.9	175.5	177.1	0	107.8
811	T	32.8	Very low	37.5	Very low	115 Å²	115	135 Å²	135	71%	0.706	77%	0.773	S	S	*	*				144.3	137.8	123.7	-45.8	0	0	0	0	111.4
812	M	36.2	Very low	36.3	Very low	185 Å²	185	135.5 Å²	135.5	91%	0.911	79%	0.786	S	S	*	*			trans	67.4	152.5	175.5	-49.3	-47.9	-176.8	0	0	117.9
813	G	33.2	Very low	35.3	Very low	77 Å²	77	138.3 Å²	138.3	79%	0.794	80%	0.796	S	S	*	*			trans	148.3	-3.2	160.5	0	0	0	0	0	121.1
814	S	30.3	Very low	34.7	Very low	113 Å²	113	145 Å²	145	79%	0.79	81%	0.808	S	S	*	*			trans	-12.7	123.9	178.9	-51.9	0	0	0	0	121.2
815	R	33.3	Very low	34.1	Very low	239 Å²	239	144.6 Å²	144.6	90%	0.902	80%	0.802	S	S	*	*				174.6	103.6	119.9	-95	170.5	-164.6	-101.5	3.4	115.3
816	L	36.6	Very low	33.7	Very low	164 Å²	164	141.2 Å²	141.2	86%	0.859	80%	0.8	S	S	*	*				44.5	160.9	121.4	-91.7	76.5	0	0	0	123.6
817	P	39.6	Very low	33.7	Very low	108 Å²	108	138.2 Å²	138.2	70%	0.701	80%	0.796	S	S	*	*				-142.8	-175	-126.9	44.9	-25.1	0	0	0	117.4
818	S	39.2	Very low	33.9	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	80%	0.799	S	S	*	*			trans	-166.1	139.5	141.6	-79	0	0	0	0	108.7
819	S	36.8	Very low	33.8	Very low	126 Å²	126	139.2 Å²	139.2	88%	0.881	79%	0.794	S	S	*	*			cis	92	127.5	27.1	-163.4	0	0	0	0	114.5
820	G	33.5	Very low	33.7	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	78%	0.782	S	S	*	*			trans	150	122.2	177.9	0	0	0	0	0	112.8
821	C	28.1	Very low	33.5	Very low	123 Å²	123	131.9 Å²	131.9	83%	0.831	78%	0.777	S	S	*	*			trans	-111.8	148	-174.2	-70.9	0	0	0	0	113.9
822	S	28.7	Very low	33.5	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	78%	0.778	S	S	*	*			trans	35.3	129.8	142.4	65	0	0	0	0	121.5
823	L	30.3	Very low	33.6	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	77%	0.773	S	S	*	*				172.8	164.6	103.6	-92.1	169.2	0	0	0	113.6
824	Y	33.8	Very low	33.6	Very low	189 Å²	189	137.7 Å²	137.7	74%	0.741	78%	0.776	S	S	*	*			trans	78.8	107.4	152.8	-110.2	-113.1	0	0	0	123.3
825	E	32	Very low	34	Very low	139 Å²	139	137.7 Å²	137.7	65%	0.65	77%	0.774	S	S	*	*				39.4	120.5	128.1	-60.7	-159.6	153.5	0	0	124.5
826	S	32.9	Very low	34.1	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	77%	0.768	S	S	*	*				72.2	157.7	115.5	-53.7	0	0	0	0	123.9
827	S	36.3	Very low	34.1	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	76%	0.762	S	S	*	*			trans	84.9	80.3	154	-55.3	0	0	0	0	120.7
828	D	34.8	Very low	34	Very low	147 Å²	147	133.5 Å²	133.5	79%	0.786	77%	0.767	S	S	*	*				76.8	148.8	110.8	-101.3	-50.9	0	0	0	125.9
829	L	30.9	Very low	33.8	Very low	147 Å²	147	132.5 Å²	132.5	77%	0.77	76%	0.76	S	S	*	*			trans	51.3	116.2	153.2	-114.9	70.2	0	0	0	123.2
830	S	35.2	Very low	33.7	Very low	97 Å²	97	133.4 Å²	133.4	68%	0.678	75%	0.754	S	S	*	*				133.1	131.3	103.7	71.1	0	0	0	0	118.9
831	L	29.5	Very low	34	Very low	145 Å²	145	135.9 Å²	135.9	76%	0.759	76%	0.756	S	S	*	*			trans	40	116	137.9	-60.7	167.8	0	0	0	121.2
832	M	33.1	Very low	34.4	Very low	147 Å²	147	136 Å²	136	72%	0.724	75%	0.748	S	S	*	*				174.7	150.2	96.9	-95.3	-55.4	165.6	0	0	117.1
833	K	36.5	Very low	35.1	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	76%	0.755	S	S	*	*			trans	67.7	126.7	147.5	-72	169.1	-178.3	176	0	122.6
834	L	34	Very low	35.5	Very low	163 Å²	163	135.4 Å²	135.4	85%	0.853	75%	0.748	S	S	*	*			trans	-99.8	150.5	164.8	-93.9	164.7	0	0	0	112.4
835	P	38.8	Very low	36	Very low	113 Å²	113	133.6 Å²	133.6	73%	0.734	76%	0.756	S	S	*	*			trans	-142	165.4	140.9	36.4	-21.7	0	0	0	113.6
836	H	36.1	Very low	36.3	Very low	171 Å²	171	136.1 Å²	136.1	79%	0.792	77%	0.765	S	S	*	*			cis	-170	158.3	-35.9	-120.1	102.7	0	0	0	108.4
837	S	36.7	Very low	36.5	Very low	104 Å²	104	137.9 Å²	137.9	73%	0.727	77%	0.771	S	S	*	*			trans	66.3	150	175.5	78.1	0	0	0	0	115.9
838	N	35.9	Very low	36.9	Very low	149 Å²	149	140.1 Å²	140.1	80%	0.797	77%	0.767	S	S	*	*			cis	-164.2	165.9	-2.8	-111.1	-1	0	0	0	107.3
839	S	35.2	Very low	36.9	Very low	94 Å²	94	141.6 Å²	141.6	66%	0.657	77%	0.77	S	S	*	*			cis	-158.8	-168.2	-2.2	-83.9	0	0	0	0	109
840	L	35.2	Very low	37.3	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	77%	0.769	S	S	*	*			trans	-124.3	172	172.2	-56.1	171.4	0	0	0	110.2	L842	L840-L842 HydrophobicContact CB-CD1 4.42Å; L840-L842 HydrophobicContact CB-CG 4.46Å; L840-L842 HydrophobicContact CD1-CD1 3.87Å; L840-L842 HydrophobicContact CD1-CG 4.16Å
841	P	40.7	Very low	37.3	Very low	126 Å²	126	142.6 Å²	142.6	82%	0.818	77%	0.767	S	S	*	*				-128.5	152.7	65.6	31.8	-15	0	0	0	113.9
842	L	36.3	Very low	37.9	Very low	125 Å²	125	142.7 Å²	142.7	65%	0.654	77%	0.773	S	S	*	*			cis	78.4	97	41.4	-84.7	170	0	0	0	116.9	L840	L840-L842 HydrophobicContact CB-CD1 4.42Å; L840-L842 HydrophobicContact CB-CG 4.46Å; L840-L842 HydrophobicContact CD1-CD1 3.87Å; L840-L842 HydrophobicContact CD1-CG 4.16Å
843	V	42.6	Very low	38.5	Very low	141 Å²	141	143.4 Å²	143.4	86%	0.855	78%	0.775	S	S	*	*			trans	-146.9	120.1	139	-176.1	0	0	0	0	109.2
844	P	39.1	Very low	38.7	Very low	104 Å²	104	139.3 Å²	139.3	68%	0.675	77%	0.767	S	S	*	*			trans	-118.6	150.7	171.3	37.6	-27.4	0	0	0	113.4
845	V	43.4	Very low	39.1	Very low	151 Å²	151	140.5 Å²	140.5	92%	0.915	77%	0.771	S	S	*	*			trans	-128	144.7	162.2	-179.3	0	0	0	0	108.9
846	K	39.3	Very low	39.7	Very low	193 Å²	193	142.2 Å²	142.2	84%	0.839	77%	0.774	S	S	*	*			trans	-140.6	146.3	-162	178.4	-176	-174.7	179.7	0	108.3
847	V	37.7	Very low	40.3	Very low	137 Å²	137	142.9 Å²	142.9	83%	0.83	79%	0.793	S	S	*	*			trans	-168.3	135.1	142.5	135.6	0	0	0	0	111.3
848	K	43.8	Very low	40.5	Very low	156 Å²	156	144.9 Å²	144.9	68%	0.678	80%	0.797	S	S	*	*			trans	15.3	122.2	165.5	-71	-167.4	165.3	-157.9	0	121.4	E850	K848-E850 IonicContact NZ-OE1 2.69Å; K848-E850 PolarHBondContact NZ-OE1 3.49Å; K848-E850 IonicContact NZ-OE2 3.99Å
849	Q	35	Very low	40.8	Very low	179 Å²	179	144.6 Å²	144.6	84%	0.836	80%	0.797	S	S	*	*				-70	157.4	126.8	-65.4	165.5	-91.8	0	0	109.7
850	E	39.5	Very low	41.1	Very low	161 Å²	161	147.4 Å²	147.4	75%	0.752	80%	0.804	S	S	*	*			trans	-138.8	141.6	153.4	-151.6	143.3	-106	0	0	107.5	K848	K848-E850 IonicContact NZ-OE1 2.69Å; K848-E850 PolarHBondContact NZ-OE1 3.49Å; K848-E850 IonicContact NZ-OE2 3.99Å
851	T	36.2	Very low	41.4	Very low	104 Å²	104	147.6 Å²	147.6	64%	0.638	81%	0.807	S	S	*	*			trans	-117.9	136.4	-161.3	-55.7	0	0	0	0	111.2
852	V	41.7	Very low	41.5	Very low	146 Å²	146	149 Å²	149	89%	0.885	81%	0.807	S	S	*	*			trans	-134.8	145	160.4	-178.4	0	0	0	0	108.8
853	E	44.2	Very low	41.8	Very low	163 Å²	163	150.6 Å²	150.6	76%	0.762	82%	0.817	S	S	*	*			trans	-74.6	165.3	-165.8	-79.1	-74.4	93.6	0	0	115.7
854	P	42.1	Very low	41.8	Very low	102 Å²	102	151.3 Å²	151.3	66%	0.662	81%	0.814	S	S	*	*			trans	-91	166.4	-177.6	37.6	-36.6	0	0	0	114.4
855	M	42.3	Very low	42	Very low	187 Å²	187	154.9 Å²	154.9	92%	0.921	83%	0.825	S	S	*	*			trans	-139.7	120.3	155.5	-84.8	-72.6	-74.1	0	0	108.5
856	D	50.9	Low	41.8	Very low	150 Å²	150	155.3 Å²	155.3	80%	0.802	82%	0.817	S	S	*	*			trans	-79.9	170.6	173.7	-119.5	20.8	0	0	0	110.3
857	P	49.6	Very low	42.1	Very low	185 Å²	185	151.8 Å²	151.8	100%	1.201	82%	0.815	S	S	*	*			cis	-120.9	0	30.6	43.9	-33.4	0	0	0	116.9

Retrieved 857 of 857 residues in 153.9 ms (Link to these results)

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