A0A024RCN9_HUMAN Loading...

[histone H3]-lysine(9) N-methyltransferase

AlphaFold DB (Q96KQ7), UniProt , Accession A0A024RCN9, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 1,210 aa.

						>A0A024RCN9_HUMAN|A0A024RCN9
MAAAAGAAAAAAAEGEAPAEMGALLLEKETRGATERVHGSLGDTPRSEETLPKATPDSLEPAGPSSPASVTVTVGDEGADTPVGATPLIGDESENLEGDGDLRGGRILLGHATKSFPSSPSKGGSCPSRAKMSMTGAGKSPPSVQSLAMRLLSMPGAQGAAAAGSEPPPATTSPEGQPKVHRARKTMSKPGNGQPPVPEKRPPEIQHFRMSDDVHSLGKVTSDLAKRRKLNSGGGLSEELGSARRSGEVTLTKGDPGSLEEWETVVGDDFSLYYDSYSVDERVDSDSKSEVEALTEQLSEEEEEEEEEEEEEEEEEEEEEEEEDEESGNQSDRSGSSGRRKAKKKWRKDSPWVKPSRKRRKREPPRAKEPRGVNGVGSSGPSEYMEVPLGSLELPSEGTLSPNHAGVSNDTSSLETERGFEELPLCSCRMEAPKIDRISERAGHKCMATESVDGELSGCNAAILKRETMRPSSRVALMVLCETHRARMVKHHCCPGCGYFCTAGTFLECHPDFRVAHRFHKACVSQLNGMVFCPHCGEDASEAQEVTIPRGDGVTPPAGTAAPAPPPLSQDVPGRADTSQPSARMRGHGEPRRPPCDPLADTIDSSGPSLTLPNGGCLSAVGLPLGPGREALEKALVIQESERRKKLRFHPRQLYLSVKQGELQKVILMLLDNLDPNFQSDQQSKRTPLHAAAQKGSVEICHVLLQAGANINAVDKQQRTPLMEAVVNNHLEVARYMVQRGGCVYSKEEDGSTCLHHAAKIGNLEMVSLLLSTGQVDVNAQDSGGWTPIIWAAEHKHIEVIRMLLTRGADVTLTDNEENICLHWASFTGSAAIAEVLLNARCDLHAVNYHGDTPLHIAARESYHDCVLLFLSRGANPELRNKEGDTAWDLTPERSDVWFALQLNRKLRLGVGNRAIRTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDRNITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFECNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICEYVGELISDAEADVREDDSYLFDLDNKDGEVYCIDARYYGNISRFINHLCDPNIIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTCQCGSEKCKHSAEAIALEQSRLARLDPHPELLPELGSLPPVNT
					

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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	35	Very low	35	Very low	246 Å²	246	112.4 Å²	112.4	100%	1.212	87%	0.867	S	S	*	*				0	94.8	0	-67.4	-75.2	-92.3	0	0	107.3
2	A	37.9	Very low	34.9	Very low	91 Å²	91	110.7 Å²	110.7	75%	0.752	86%	0.858	S	S	*	*			cis	-131.7	136.1	-7.3	0	0	0	0	0	106.7
3	A	35.8	Very low	34.9	Very low	99 Å²	99	109.2 Å²	109.2	82%	0.818	85%	0.851	S	S	*	*				66.2	132.3	59.5	0	0	0	0	0	113
4	A	38.7	Very low	34.8	Very low	100 Å²	100	116.1 Å²	116.1	83%	0.826	86%	0.859	S	S	*	*			cis	-163.1	176.3	-16.2	0	0	0	0	0	107
5	A	38.7	Very low	34.8	Very low	101 Å²	101	113.7 Å²	113.7	84%	0.835	86%	0.856	S	S	*	*			cis	-154.3	179.5	5.1	0	0	0	0	0	107.5
6	G	35	Very low	34.8	Very low	70 Å²	70	119 Å²	119	72%	0.722	86%	0.861	S	S	*	*			cis	135.6	129.9	-2.8	0	0	0	0	0	113.2
7	A	34.9	Very low	34.8	Very low	108 Å²	108	117.5 Å²	117.5	89%	0.893	86%	0.855	S	S	*	*			trans	70.7	122.7	170.2	0	0	0	0	0	120.4
8	A	34	Very low	35.2	Very low	107 Å²	107	118.3 Å²	118.3	88%	0.884	86%	0.855	S	S	*	*				-177.3	62	124.9	0	0	0	0	0	112.9
9	A	31.4	Very low	35.1	Very low	98 Å²	98	116.8 Å²	116.8	81%	0.81	85%	0.85	S	S	*	*	S	Bend	trans	-151.8	145.5	165.1	0	0	0	0	0	110
10	A	30.1	Very low	35	Very low	110 Å²	110	119.9 Å²	119.9	91%	0.909	85%	0.849	S	S	*	*			trans	61	108.9	-176.3	0	0	0	0	0	117
11	A	33.6	Very low	35.1	Very low	106 Å²	106	123.5 Å²	123.5	88%	0.876	86%	0.855	S	S	*	*			trans	-154.4	153.9	159	0	0	0	0	0	110.9
12	A	34	Very low	35.1	Very low	92 Å²	92	115.7 Å²	115.7	76%	0.76	84%	0.837	S	S	*	*			trans	-33.5	146.7	178.5	0	0	0	0	0	117.1
13	A	34.5	Very low	34.7	Very low	92 Å²	92	116 Å²	116	76%	0.76	84%	0.84	S	S	*	*			cis	77.2	144.2	41.5	0	0	0	0	0	114.8
14	E	33.7	Very low	34.8	Very low	206 Å²	206	119.8 Å²	119.8	96%	0.963	85%	0.845	S	S	*	*			trans	72.5	133.7	-175.1	-55.4	-171.5	172.3	0	0	117
15	G	34.4	Very low	34.5	Very low	80 Å²	80	121.5 Å²	121.5	83%	0.825	84%	0.84	S	S	*	*			trans	152.4	104.5	-177.1	0	0	0	0	0	112.4
16	E	34.7	Very low	34.5	Very low	198 Å²	198	125.3 Å²	125.3	93%	0.925	85%	0.845	S	S	*	*			trans	-79.6	162.3	-174.9	-69.4	169.2	95.9	0	0	114.1
17	A	35.2	Very low	34.4	Very low	93 Å²	93	129 Å²	129	77%	0.769	84%	0.844	S	S	*	*			trans	-72	164.8	171.9	0	0	0	0	0	112.4
18	P	42.5	Very low	34.6	Very low	132 Å²	132	132.1 Å²	132.1	86%	0.857	84%	0.837	S	S	*	*				-134	175.4	108.7	38.7	-30.9	0	0	0	113.8
19	A	33.7	Very low	34.5	Very low	91 Å²	91	133.3 Å²	133.3	75%	0.752	82%	0.824	S	S	*	*			trans	-104.2	-177.3	-174.8	0	0	0	0	0	113.5
20	E	33	Very low	34.5	Very low	177 Å²	177	135.5 Å²	135.5	83%	0.827	83%	0.827	S	S	*	*			trans	64	103.5	163.8	-56.8	-167.5	127	0	0	119
21	M	35.8	Very low	34.8	Very low	197 Å²	197	140.9 Å²	140.9	97%	0.97	82%	0.824	S	S	*	*				176.4	160.6	106.3	-98.9	-179.3	-82.3	0	0	112.5
22	G	34.8	Very low	34.8	Very low	81 Å²	81	139.4 Å²	139.4	84%	0.835	82%	0.82	S	S	*	*			trans	108.2	57.5	156.7	0	0	0	0	0	117.6
23	A	31.2	Very low	35	Very low	99 Å²	99	140.1 Å²	140.1	82%	0.818	83%	0.825	S	S	*	*			trans	-79.4	139	162.6	0	0	0	0	0	111.2
24	L	36.5	Very low	34.9	Very low	177 Å²	177	142.1 Å²	142.1	93%	0.927	83%	0.829	S	S	*	*			trans	-141.9	127.5	156.6	-101.1	175.3	0	0	0	109.4
25	L	32.7	Very low	35	Very low	137 Å²	137	139.2 Å²	139.2	72%	0.717	82%	0.815	S	S	*	*			trans	-85.9	159.9	175.6	-65.1	106.1	0	0	0	111.1	E27	L25-E27 HydrophobicContact CD2-CG 4.32Å
26	L	37.8	Very low	34.9	Very low	180 Å²	180	145.1 Å²	145.1	94%	0.942	81%	0.812	S	S	*	*			trans	-143.6	128.9	134.6	-112.6	165.3	0	0	0	109.7
27	E	34.9	Very low	34.8	Very low	149 Å²	149	141.7 Å²	141.7	70%	0.696	80%	0.804	S	S	*	*			trans	-97.5	161.8	-173	-46.5	170.2	125.4	0	0	111.1	L25	L25-E27 HydrophobicContact CD2-CG 4.32Å
28	K	37.4	Very low	34.8	Very low	172 Å²	172	146.6 Å²	146.6	75%	0.748	81%	0.811	S	S	*	*				-173.7	152.4	106.4	-106.7	-175.2	172.2	-169.6	0	118.6
29	E	33.2	Very low	34.2	Very low	133 Å²	133	143.7 Å²	143.7	62%	0.621	81%	0.805	S	S	*	*			trans	66.8	59.7	148.8	-69	-175.7	113.3	0	0	119.6	R31	E29-R31 IonicContact OE1-NE 2.72Å
30	T	30.8	Very low	34.1	Very low	143 Å²	143	144.5 Å²	144.5	88%	0.877	81%	0.805	S	S	*	*				-76.5	135.1	129.8	51.2	0	0	0	0	109.7
31	R	36.7	Very low	34.1	Very low	223 Å²	223	144.3 Å²	144.3	84%	0.842	81%	0.809	S	S	*	*			trans	-113.7	107.7	168	-85	-171.5	177.9	-167.6	-1.7	110.2	E29	E29-R31 IonicContact OE1-NE 2.72Å
32	G	32.9	Very low	33.8	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	79%	0.793	S	S	*	*			trans	-95.4	152.3	161.5	0	0	0	0	0	111
33	A	39.1	Very low	33.8	Very low	106 Å²	106	141.9 Å²	141.9	88%	0.876	80%	0.795	S	S	*	*			trans	-124.7	110.6	164.8	0	0	0	0	0	108.2
34	T	31.6	Very low	33.9	Very low	135 Å²	135	143.2 Å²	143.2	83%	0.828	79%	0.793	S	S	*	*			trans	-96.9	-173.3	172.3	51	0	0	0	0	110.1
35	E	35.1	Very low	34.2	Very low	144 Å²	144	141 Å²	141	67%	0.673	79%	0.789	S	S	*	*			trans	86.4	139.2	-176.1	-50.2	-148.5	115.7	0	0	114.7
36	R	33.6	Very low	34.1	Very low	205 Å²	205	145.2 Å²	145.2	77%	0.774	80%	0.796	S	S	*	*			cis	-150	160.8	-0.2	-130.5	173.6	-139.4	167.2	14.7	112.6
37	V	31.5	Very low	34.1	Very low	125 Å²	125	141.7 Å²	141.7	76%	0.758	79%	0.786	S	S	*	*			trans	-76.6	132.9	175.2	172.2	0	0	0	0	111.3
38	H	36.1	Very low	34	Very low	197 Å²	197	142.4 Å²	142.4	91%	0.912	79%	0.79	S	S	*	*			trans	-168.5	167.6	135.1	-90.8	-45.2	0	0	0	109.4
39	G	29.8	Very low	33.8	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	79%	0.792	S	S	*	*			trans	-156.4	-154.4	178.4	0	0	0	0	0	111.5
40	S	32.4	Very low	33.8	Very low	109 Å²	109	142 Å²	142	76%	0.762	80%	0.8	S	S	*	*			trans	102.1	130.4	172.2	-151.2	0	0	0	0	117
41	L	32.2	Very low	34.1	Very low	172 Å²	172	142 Å²	142	90%	0.901	79%	0.793	S	S	*	*			trans	71.3	134.4	153.1	-68.7	157.7	0	0	0	121.9
42	G	29.8	Very low	34.1	Very low	62 Å²	62	137.4 Å²	137.4	64%	0.639	79%	0.792	S	S	*	*			trans	88.1	139.2	154	0	0	0	0	0	116.7
43	D	34.9	Very low	33.9	Very low	166 Å²	166	143 Å²	143	89%	0.888	80%	0.795	S	S	*	*			cis	-156.8	156.3	-13.8	-107.1	-41.6	0	0	0	110.7
44	T	32	Very low	33.7	Very low	126 Å²	126	142.8 Å²	142.8	77%	0.773	79%	0.793	S	S	*	*			trans	-109.1	139.9	172.6	54.4	0	0	0	0	111.5
45	P	43.1	Very low	33.7	Very low	130 Å²	130	142.9 Å²	142.9	84%	0.844	79%	0.794	S	S	*	*			trans	-98.2	141.2	152.4	33.4	-27.3	0	0	0	111.6
46	R	31.9	Very low	34.1	Very low	226 Å²	226	140.9 Å²	140.9	85%	0.853	79%	0.793	S	S	*	*			trans	-106.4	144.4	171.3	-76.1	177.6	167.6	-170.6	-2.9	111.2
47	S	37	Very low	34.1	Very low	106 Å²	106	137.5 Å²	137.5	74%	0.741	79%	0.791	S	S	*	*			trans	-161.7	124.3	139.1	50.4	0	0	0	0	105.6
48	E	32.6	Very low	34.1	Very low	165 Å²	165	136.5 Å²	136.5	77%	0.771	79%	0.789	S	S	*	*				59.3	129.6	68.1	-65	176.5	136.8	0	0	110.8
49	E	34.5	Very low	34.1	Very low	170 Å²	170	134.9 Å²	134.9	79%	0.794	79%	0.786	S	S	*	*			cis	-158	159.9	28.5	-145.9	178.8	173.3	0	0	114.9
50	T	33.4	Very low	34.1	Very low	127 Å²	127	135.4 Å²	135.4	78%	0.779	77%	0.77	S	S	*	*			trans	66.1	118.2	155.9	2.4	0	0	0	0	124.5
51	L	35.6	Very low	34.5	Very low	142 Å²	142	133.7 Å²	133.7	74%	0.743	76%	0.756	S	S	*	*			trans	-67.6	162.3	154.7	-106.1	157.3	0	0	0	111.9
52	P	36.2	Very low	34.6	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	75%	0.753	S	S	*	*				-150.9	169.7	82.5	39.4	-19.6	0	0	0	118.4
53	K	30.2	Very low	34.8	Very low	194 Å²	194	130.6 Å²	130.6	84%	0.843	76%	0.756	S	S	*	*			trans	-73.7	154.5	-179.6	-52.3	165.6	177	177.7	0	114.1
54	A	35.3	Very low	35.1	Very low	101 Å²	101	128.8 Å²	128.8	84%	0.835	75%	0.753	S	S	*	*			trans	-157.2	146.4	137.8	0	0	0	0	0	111.8
55	T	31.4	Very low	35.3	Very low	136 Å²	136	128.7 Å²	128.7	83%	0.834	76%	0.758	S	S	*	*			trans	-153.6	170.5	175.8	51.7	0	0	0	0	107.7
56	P	43.7	Very low	34.9	Very low	102 Å²	102	127.9 Å²	127.9	66%	0.662	76%	0.755	S	S	*	*			cis	-127	-141.6	-17.2	30.2	-5.8	0	0	0	111.1
57	D	33.6	Very low	35.3	Very low	135 Å²	135	122.8 Å²	122.8	72%	0.722	75%	0.751	S	S	*	*			trans	94.2	92	152.5	-60.8	-32.6	0	0	0	122.4
58	S	30.7	Very low	35.2	Very low	104 Å²	104	121.8 Å²	121.8	73%	0.727	75%	0.749	S	S	*	*				75.7	148.9	114.3	-55.9	0	0	0	0	123.3
59	L	35.1	Very low	35	Very low	163 Å²	163	119.1 Å²	119.1	85%	0.853	75%	0.749	S	S	*	*			trans	83.1	81.2	163.5	-53.2	178.1	0	0	0	120.2
60	E	31.8	Very low	34.9	Very low	81 Å²	81	117.5 Å²	117.5	38%	0.379	75%	0.751	S	S	.	*				16.1	154.6	104.2	-73	-75.2	99.1	0	0	120.4	S408 N409	E60-S408 VanDerWaalsContact CD-OG 3.27Å; E60-S408 PolarHBondContact OE1-OG 2.65Å; E60-S408 WeakPolarHBondContact OE2-CB 3.34Å; E60-S408 PolarHBondContact OE2-OG 3.01Å; E60-N409 HydrophobicContact CG-CB 3.69Å
61	P	39.1	Very low	34.6	Very low	72 Å²	72	117.3 Å²	117.3	47%	0.468	75%	0.749	S	S	.	*			cis	-141	154.4	-43.9	35.7	-18.2	0	0	0	114.8	V407	P61-V407 HydrophobicContact CB-CB 3.8Å; P61-V407 HydrophobicContact CB-CG1 4.01Å; P61-V407 HydrophobicContact CB-CG2 4.11Å; P61-V407 HydrophobicContact CG-CB 3.87Å; P61-V407 HydrophobicContact CG-CG2 3.89Å
62	A	35.1	Very low	34.5	Very low	101 Å²	101	117.1 Å²	117.1	84%	0.835	75%	0.754	S	S	*	*			trans	-166.2	141.8	160.4	0	0	0	0	0	114.5
63	G	33.3	Very low	34.3	Very low	68 Å²	68	117.1 Å²	117.1	70%	0.701	75%	0.752	S	S	*	*			trans	-129.3	-153.9	156.9	0	0	0	0	0	109.6
64	P	41.6	Very low	34.6	Very low	129 Å²	129	114.3 Å²	114.3	84%	0.838	75%	0.75	S	S	*	*			cis	-136.7	156.3	-18.7	39.6	-24.4	0	0	0	114.2
65	S	36.8	Very low	34.6	Very low	124 Å²	124	112.4 Å²	112.4	87%	0.867	74%	0.741	S	S	*	*			trans	-172.7	141.1	155.3	53.5	0	0	0	0	114.4
66	S	33.6	Very low	34.9	Very low	113 Å²	113	113 Å²	113	79%	0.79	74%	0.739	S	S	*	*			trans	-83.1	-175.9	169.8	-29.6	0	0	0	0	111.8
67	P	41.3	Very low	34.7	Very low	118 Å²	118	116.9 Å²	116.9	77%	0.766	75%	0.748	S	S	*	*			cis	-137.1	-167.4	-5.7	40.8	-21.7	0	0	0	115
68	A	33.6	Very low	34.7	Very low	85 Å²	85	113.9 Å²	113.9	70%	0.702	75%	0.749	S	S	*	*			trans	88.2	116.2	149.5	0	0	0	0	0	121.4
69	S	28.4	Very low	35.1	Very low	109 Å²	109	113.8 Å²	113.8	76%	0.762	76%	0.755	S	S	*	*			trans	41.2	126	138.2	62.6	0	0	0	0	122.2
70	V	33.4	Very low	35	Very low	137 Å²	137	113.4 Å²	113.4	83%	0.83	75%	0.753	S	S	*	*				-165.1	151.1	112.3	138.5	0	0	0	0	110.6
71	T	27.6	Very low	35.3	Very low	122 Å²	122	116.4 Å²	116.4	75%	0.748	78%	0.778	S	S	*	*			trans	-85.2	151.4	179.5	47.7	0	0	0	0	113.8
72	V	33.8	Very low	35.2	Very low	139 Å²	139	118.3 Å²	118.3	84%	0.842	79%	0.79	S	S	*	*			trans	-135	138.3	155.6	-179	0	0	0	0	109.1
73	T	31	Very low	35	Very low	127 Å²	127	120.5 Å²	120.5	78%	0.779	79%	0.792	S	S	*	*			trans	-139.5	136.3	-177.9	50.8	0	0	0	0	111.2
74	V	37.5	Very low	34.7	Very low	135 Å²	135	120.4 Å²	120.4	82%	0.818	79%	0.792	S	S	*	*			trans	-147.7	135.2	165.8	-168.1	0	0	0	0	104
75	G	34	Very low	34.1	Very low	61 Å²	61	119.1 Å²	119.1	63%	0.629	79%	0.792	S	S	*	*			cis	103	121.2	37.8	0	0	0	0	0	106.5
76	D	38.9	Very low	33.9	Very low	149 Å²	149	119.6 Å²	119.6	80%	0.797	79%	0.79	S	S	*	*			cis	-154.6	161.2	39.6	-93.4	-1.4	0	0	0	113.3
77	E	37.7	Very low	34	Very low	182 Å²	182	119.8 Å²	119.8	85%	0.85	79%	0.788	S	S	*	*			trans	39.7	147.2	138.5	-48.5	-69.5	76.6	0	0	121.1
78	G	34.5	Very low	33.4	Very low	72 Å²	72	121.4 Å²	121.4	74%	0.742	79%	0.79	S	S	*	*			cis	145.3	153.1	9.2	0	0	0	0	0	109
79	A	39.1	Very low	33.4	Very low	103 Å²	103	124.8 Å²	124.8	85%	0.851	79%	0.794	S	S	*	*			cis	-160.2	171	0.5	0	0	0	0	0	111.4
80	D	33.9	Very low	33.7	Very low	154 Å²	154	122.2 Å²	122.2	82%	0.824	79%	0.786	S	S	*	*			trans	-81.6	162.9	179.1	-56.3	-86.8	0	0	0	115.6
81	T	36.6	Very low	33.9	Very low	145 Å²	145	122.9 Å²	122.9	89%	0.89	78%	0.784	S	S	*	*			trans	-165.4	149.2	138	3.7	0	0	0	0	113.5
82	P	38	Very low	34.4	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	79%	0.788	S	S	*	*			trans	-124.3	179.9	-176.7	44	-32.8	0	0	0	115.7
83	V	30.2	Very low	34.5	Very low	147 Å²	147	122.8 Å²	122.8	89%	0.891	78%	0.775	S	S	*	*			trans	72.6	122.9	163.5	-176.5	0	0	0	0	118.4
84	G	28.1	Very low	34.7	Very low	67 Å²	67	125.1 Å²	125.1	69%	0.691	78%	0.777	S	S	*	*			trans	119.8	125.5	131	0	0	0	0	0	119.4
85	A	28.6	Very low	34.5	Very low	102 Å²	102	124.7 Å²	124.7	84%	0.843	77%	0.771	S	S	*	*			trans	59.4	137.6	150.3	0	0	0	0	0	121.5
86	T	32.7	Very low	34.6	Very low	133 Å²	133	127.7 Å²	127.7	82%	0.816	77%	0.772	S	S	*	*			trans	-59.6	150.2	168.8	49.6	0	0	0	0	113.8
87	P	35.3	Very low	34.5	Very low	117 Å²	117	129.4 Å²	129.4	76%	0.76	78%	0.775	S	S	*	*				-141.9	133.2	114.5	36.2	-22.9	0	0	0	116.6
88	L	29.3	Very low	34.3	Very low	153 Å²	153	124.1 Å²	124.1	80%	0.801	77%	0.769	S	S	*	*			trans	17.6	148.6	130.5	-64.5	170.5	0	0	0	122.7
89	I	32.7	Very low	34.3	Very low	155 Å²	155	128.8 Å²	128.8	80%	0.795	78%	0.777	S	S	*	*			trans	77.2	131.4	161	-57.5	141.4	0	0	0	115.1
90	G	34.4	Very low	34.1	Very low	56 Å²	56	127 Å²	127	58%	0.577	77%	0.768	S	S	*	*			cis	177.4	164.2	-6.5	0	0	0	0	0	115.1
91	D	38.4	Very low	34	Very low	151 Å²	151	126.3 Å²	126.3	81%	0.807	77%	0.765	S	S	*	*			trans	67.2	151.7	149.8	-41.1	-38.9	0	0	0	117
92	E	37.1	Very low	33.7	Very low	177 Å²	177	125.5 Å²	125.5	83%	0.827	75%	0.754	S	S	*	*			cis	-138.1	164.6	8.4	-86.8	-148.7	76.8	0	0	109.6
93	S	36.4	Very low	33.6	Very low	82 Å²	82	130.8 Å²	130.8	57%	0.573	76%	0.76	S	S	*	*			cis	-170.3	168.9	-15	-93.6	0	0	0	0	110.5
94	E	36.4	Very low	33.6	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	76%	0.762	S	S	*	*			trans	76.4	137.8	160.5	-52.4	-144.1	108.9	0	0	121.3
95	N	32.3	Very low	34	Very low	127 Å²	127	128.9 Å²	128.9	68%	0.679	77%	0.77	S	S	*	*			cis	-166.9	165	-33.4	-129.4	-33	0	0	0	114.4
96	L	36.3	Very low	34.1	Very low	124 Å²	124	134.6 Å²	134.6	65%	0.649	77%	0.77	S	S	*	*			trans	73.7	96.3	152.3	-64.5	163.6	0	0	0	123.1
97	E	35.9	Very low	34.2	Very low	184 Å²	184	136.2 Å²	136.2	86%	0.86	77%	0.772	S	S	*	*				78.8	143.7	113.8	-75	179.4	178.4	0	0	125.8
98	G	34.6	Very low	34.1	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	77%	0.765	S	S	*	*			trans	100.5	79	155	0	0	0	0	0	116.5
99	D	34.4	Very low	34.2	Very low	171 Å²	171	136.4 Å²	136.4	91%	0.914	77%	0.766	S	S	*	*				70.3	139.9	60.7	-162.1	19.5	0	0	0	114.8
100	G	33.9	Very low	34	Very low	65 Å²	65	132 Å²	132	67%	0.67	76%	0.758	S	S	*	*			trans	141.1	49.4	175.3	0	0	0	0	0	121.7
101	D	32.7	Very low	34.1	Very low	140 Å²	140	138 Å²	138	75%	0.749	77%	0.771	S	S	*	*			trans	48.2	131.5	134.1	-110.8	3.4	0	0	0	125.7
102	L	30.8	Very low	33.7	Very low	127 Å²	127	134 Å²	134	67%	0.665	76%	0.758	S	S	*	*			trans	82.8	141.5	131.7	-74.7	169.9	0	0	0	126.5
103	R	34.7	Very low	33.5	Very low	223 Å²	223	131.2 Å²	131.2	84%	0.842	75%	0.754	S	S	*	*			trans	75.4	96.3	144.5	-74	160.8	-176	-101.5	-0.3	120.5
104	G	30.8	Very low	33.3	Very low	90 Å²	90	136.6 Å²	136.6	93%	0.928	77%	0.767	S	S	*	*			trans	-72.5	-176.3	165.3	0	0	0	0	0	117.8
105	G	35.7	Very low	33.1	Very low	84 Å²	84	131.9 Å²	131.9	87%	0.866	75%	0.753	S	S	*	*			trans	-138.4	156.7	-178	0	0	0	0	0	112.2
106	R	32.3	Very low	33.2	Very low	221 Å²	221	135.2 Å²	135.2	83%	0.834	76%	0.762	S	S	*	*			trans	-135	131.8	-165.4	-171.5	-170.3	-166.5	-174.5	5.9	111	L108	R106-L108 HydrophobicContact CG-CD1 4.39Å
107	I	34.4	Very low	33.3	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	77%	0.765	S	S	*	*			trans	-175.6	127.4	166.2	-98.3	149.6	0	0	0	104.9
108	L	32.7	Very low	33.3	Very low	118 Å²	118	131.3 Å²	131.3	62%	0.618	76%	0.763	S	S	*	*			cis	84.7	124.1	2.4	-96.8	170.5	0	0	0	119.4	R106	R106-L108 HydrophobicContact CG-CD1 4.39Å
109	L	30.9	Very low	33.2	Very low	156 Å²	156	132.9 Å²	132.9	82%	0.817	76%	0.763	S	S	*	*			trans	75.5	145.2	171.3	-56.4	157.1	0	0	0	116.3
110	G	30	Very low	33.4	Very low	61 Å²	61	130.2 Å²	130.2	63%	0.629	76%	0.755	S	S	*	*			cis	157.8	164.9	-9.1	0	0	0	0	0	114.1
111	H	34.5	Very low	33.3	Very low	184 Å²	184	132.9 Å²	132.9	85%	0.852	76%	0.763	S	S	*	*			trans	69.3	162.9	167.8	-65.2	-86.4	0	0	0	119.5
112	A	31.8	Very low	33.1	Very low	66 Å²	66	136 Å²	136	55%	0.545	77%	0.77	S	S	.	*			cis	-177.6	132.5	-34.6	0	0	0	0	0	114.7
113	T	31.2	Very low	33	Very low	119 Å²	119	134.1 Å²	134.1	73%	0.73	78%	0.781	S	S	*	*			trans	68.4	151.9	142.6	64.4	0	0	0	0	123.9
114	K	33.2	Very low	32.7	Very low	194 Å²	194	127.3 Å²	127.3	84%	0.843	78%	0.78	S	S	*	*			trans	83.8	150.2	159	-53.3	-176.1	-170.4	177.6	0	117.6
115	S	31.5	Very low	32.5	Very low	76 Å²	76	127.6 Å²	127.6	53%	0.531	77%	0.768	S	S	.	*			cis	-176.3	148.9	-20.8	49.3	0	0	0	0	109.4
116	F	35.9	Very low	32	Very low	197 Å²	197	128.1 Å²	128.1	86%	0.864	76%	0.757	S	S	*	*				174	164.5	95.2	-88.8	-68.1	0	0	0	112.2
117	P	37.9	Very low	32.1	Very low	109 Å²	109	122.3 Å²	122.3	71%	0.708	75%	0.748	S	S	*	*			trans	-129.7	174.6	-165.9	44.4	-31.8	0	0	0	118.5
118	S	34.9	Very low	31.7	Very low	117 Å²	117	117.7 Å²	117.7	82%	0.818	73%	0.731	S	S	*	*			trans	-167	-174.3	152.9	-78.3	0	0	0	0	111.1
119	S	33.7	Very low	31.3	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	71%	0.713	S	S	*	*				162.5	154.7	-67.3	-82.3	0	0	0	0	112.9
120	P	37.7	Very low	31	Very low	114 Å²	114	111.5 Å²	111.5	74%	0.74	71%	0.706	S	S	*	*			cis	-150.1	136	-45.4	38.7	-17.9	0	0	0	117.1
121	S	32	Very low	30.8	Very low	121 Å²	121	113 Å²	113	85%	0.846	70%	0.695	S	S	*	*			trans	-155	170.3	168.9	-73.4	0	0	0	0	111.5
122	K	28.9	Very low	30.5	Very low	206 Å²	206	113.1 Å²	113.1	90%	0.896	70%	0.698	S	S	*	*				-167.9	122.6	-55.7	-120.8	-175.9	-176.8	177.5	0	110.6
123	G	28.2	Very low	30.2	Very low	87 Å²	87	115.1 Å²	115.1	90%	0.897	71%	0.708	S	S	*	*			trans	102.5	-178.1	174.3	0	0	0	0	0	114.2
124	G	28	Very low	29.9	Very low	80 Å²	80	118 Å²	118	83%	0.825	72%	0.716	S	S	*	*			cis	-132.7	-32.6	-1.3	0	0	0	0	0	116.9
125	S	26.3	Very low	29.7	Very low	96 Å²	96	116.1 Å²	116.1	67%	0.671	72%	0.72	S	S	*	*			trans	68.4	101.1	170.5	165.6	0	0	0	0	119.9
126	C	26.1	Very low	29.5	Very low	95 Å²	95	116 Å²	116	64%	0.642	73%	0.731	S	S	*	*			trans	65.8	164.1	136.5	-62.5	0	0	0	0	119.6
127	P	33.4	Very low	29.4	Very low	100 Å²	100	111.7 Å²	111.7	65%	0.649	73%	0.732	S	S	*	*			cis	-140.9	151.7	-31.6	36.3	-17.7	0	0	0	116
128	S	26.4	Very low	29.1	Very low	70 Å²	70	109.8 Å²	109.8	49%	0.49	73%	0.732	S	S	.	*			trans	35.7	113	143	-46.1	0	0	0	0	121.6	Q717	S128-Q717 VanDerWaalsContact CB-NE2 3.29Å; S128-Q717 PolarHBondContact O-NE2 3.47Å
129	R	24.7	Very low	29.1	Very low	64 Å²	64	114.5 Å²	114.5	24%	0.242	74%	0.738	C	S	.	*			trans	83.5	121.4	132.3	179.1	-71.4	-141.7	103.5	-3.3	120	K716 Q717 E749	R129-K716 VanDerWaalsContact NH1-C 3.32Å; R129-K716 VanDerWaalsContact NH1-CD 3.31Å; R129-K716 VanDerWaalsContact NH1-CG 3.26Å; R129-K716 VanDerWaalsContact NH2-C 3.28Å; R129-K716 PolarHBondContact NH2-O 3.24Å; R129-K716 PolarHBondContact O-NZ 2.64Å; R129-K716 VanDerWaalsContact O-NZ 3.12Å; R129-Q717 VanDerWaalsContact NH1-CA 3.32Å; R129-Q717 VanDerWaalsContact NH1-N 3.15Å; R129-Q717 VanDerWaalsContact NH2-CA 3.33Å; R129-E749 IonicContact CZ-OE2 3.74Å; R129-E749 IonicContact NE-OE2 2.78Å; R129-E749 PolarHBondContact NE-OE2 3.34Å; R129-E749 IonicContact NH2-OE2 3.97Å; R129-E749 PolarHBondContact NH2-OE2 2.93Å
130	A	25.5	Very low	29.1	Very low	81 Å²	81	114.7 Å²	114.7	67%	0.669	74%	0.74	S	S	*	*			trans	-117.7	148.8	136.4	0	0	0	0	0	107.8
131	K	24.9	Very low	29.1	Very low	93 Å²	93	114.8 Å²	114.8	40%	0.404	74%	0.74	S	S	.	*			cis	69	100.6	33.6	-86.4	-176.5	150.6	58.1	0	115.7	E749	K131-E749 VanDerWaalsContact CG-OE2 3.31Å; K131-E749 WeakPolarHBondContact CG-OE2 3.24Å; K131-E749 IonicContact NZ-OE1 2.73Å; K131-E749 PolarHBondContact NZ-OE1 3.18Å; K131-E749 IonicContact NZ-OE2 3.69Å; K131-E749 PolarHBondContact NZ-OE2 2.77Å
132	M	27.8	Very low	29.5	Very low	185 Å²	185	114.1 Å²	114.1	91%	0.911	73%	0.733	S	S	*	*			trans	-128.5	144.1	148.5	-66.7	-61.5	168.6	0	0	109.6
133	S	25	Very low	29.7	Very low	109 Å²	109	109.1 Å²	109.1	76%	0.762	72%	0.724	S	S	*	*			trans	-140.4	145.8	-177.4	-67.6	0	0	0	0	111.9
134	M	25	Very low	30.2	Very low	180 Å²	180	110.6 Å²	110.6	89%	0.887	72%	0.715	S	S	*	*			trans	-65.1	135.1	-175.7	-72.2	-81.1	-86.5	0	0	114.2
135	T	29.5	Very low	30.5	Very low	153 Å²	153	115.2 Å²	115.2	94%	0.939	72%	0.715	S	S	*	*			trans	156.2	149.3	147.3	36.2	0	0	0	0	109.9
136	G	28.2	Very low	30.7	Very low	73 Å²	73	116 Å²	116	75%	0.753	72%	0.72	S	S	*	*			cis	163.6	160.6	-7.9	0	0	0	0	0	113.5
137	A	34	Very low	31.2	Very low	108 Å²	108	119.7 Å²	119.7	89%	0.893	73%	0.733	S	S	*	*			trans	77.7	87.7	164.2	0	0	0	0	0	120.6
138	G	31.7	Very low	31.3	Very low	69 Å²	69	118.9 Å²	118.9	71%	0.711	74%	0.735	S	S	*	*			trans	-67.8	-145.6	167	0	0	0	0	0	118.5
139	K	33.9	Very low	31.7	Very low	215 Å²	215	123.1 Å²	123.1	94%	0.935	75%	0.749	S	S	*	*			trans	-166	162.1	165.7	-96.7	131.8	-165.2	162.7	0	111.9
140	S	33	Very low	32.1	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	77%	0.773	S	S	*	*			trans	-107	-163.5	-175.6	58.3	0	0	0	0	110.7
141	P	38.7	Very low	32.6	Very low	116 Å²	116	132.2 Å²	132.2	75%	0.753	78%	0.775	S	S	*	*			cis	-140.1	-135.1	12.7	34	-4.4	0	0	0	115.2
142	P	40.4	Very low	33.1	Very low	106 Å²	106	135 Å²	135	69%	0.688	79%	0.794	S	S	*	*				-140.8	171.8	-94.9	46.1	-28.7	0	0	0	120.5
143	S	32.6	Very low	33.5	Very low	101 Å²	101	130.4 Å²	130.4	71%	0.706	78%	0.78	S	S	*	*			trans	88.5	149.8	132.8	71.5	0	0	0	0	126.4
144	V	38.2	Very low	34.2	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.715	78%	0.782	S	S	*	*			trans	79	134.8	150.7	-81.2	0	0	0	0	126.1
145	Q	35.5	Very low	34.9	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	78%	0.778	S	S	*	*			trans	70.5	128.9	155.5	-66.9	158.6	40.6	0	0	117.8
146	S	31.4	Very low	35.2	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	77%	0.771	S	S	*	*			cis	89.9	100.4	19.3	-164.5	0	0	0	0	116.7
147	L	36.2	Very low	35.7	Very low	174 Å²	174	127.4 Å²	127.4	91%	0.911	77%	0.769	S	S	*	*			trans	-151.7	-167.3	139.4	-145.2	68.3	0	0	0	110.1
148	A	34.3	Very low	35.8	Very low	83 Å²	83	131.9 Å²	131.9	69%	0.686	77%	0.772	S	S	*	*			trans	-157.8	-172.3	-163	0	0	0	0	0	112.6
149	M	35.2	Very low	35.9	Very low	158 Å²	158	132.4 Å²	132.4	78%	0.778	78%	0.777	S	S	*	*			trans	103.6	156.4	164.8	-56.3	-96	-76.8	0	0	116.3
150	R	33.5	Very low	36	Very low	201 Å²	201	127.4 Å²	127.4	76%	0.758	78%	0.776	S	S	*	*			cis	-177.7	163.5	-38.6	-149.1	176	-165.7	159	0.9	109.8
151	L	35.8	Very low	36	Very low	135 Å²	135	127.2 Å²	127.2	71%	0.707	78%	0.781	S	S	*	*			trans	84.8	126.1	163.6	-48.7	-178.6	0	0	0	117.1
152	L	36	Very low	35.8	Very low	153 Å²	153	127 Å²	127	80%	0.801	79%	0.789	S	S	*	*				70.5	143.1	87	-57.6	-177	0	0	0	114.3
153	S	35.5	Very low	35.6	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	79%	0.792	S	S	*	*			cis	-169.9	163.8	3.7	-127.6	0	0	0	0	115
154	M	39.6	Very low	35.6	Very low	165 Å²	165	125.6 Å²	125.6	81%	0.813	80%	0.801	S	S	*	*			trans	79	153.9	153.1	-64.6	-61	96.7	0	0	122.5
155	P	40.1	Very low	35.4	Very low	124 Å²	124	125 Å²	125	81%	0.805	80%	0.802	S	S	*	*			trans	-139	-177.6	-155	43.3	-23.1	0	0	0	117.8
156	G	35.7	Very low	35.3	Very low	76 Å²	76	125.5 Å²	125.5	78%	0.784	80%	0.804	S	S	*	*			trans	142.4	147.9	160.9	0	0	0	0	0	114.1
157	A	37.8	Very low	35.6	Very low	87 Å²	87	125 Å²	125	72%	0.719	80%	0.798	S	S	*	*			cis	-164.1	159.7	-8.7	0	0	0	0	0	111.3
158	Q	37.5	Very low	35.6	Very low	202 Å²	202	122.7 Å²	122.7	94%	0.944	79%	0.794	S	S	*	*			trans	65.4	134.4	169.4	-53.3	168.8	11	0	0	116
159	G	34.3	Very low	35.7	Very low	80 Å²	80	123.1 Å²	123.1	83%	0.825	79%	0.79	S	S	*	*			cis	175.5	163.8	-6.8	0	0	0	0	0	108.7
160	A	34.5	Very low	35.7	Very low	110 Å²	110	120.2 Å²	120.2	91%	0.909	79%	0.79	S	S	*	*			cis	-150.2	143.6	-5.9	0	0	0	0	0	109.8
161	A	33.1	Very low	35.8	Very low	105 Å²	105	117.4 Å²	117.4	87%	0.868	80%	0.796	S	S	*	*			trans	-151.4	147.9	172.6	0	0	0	0	0	109.4
162	A	35.1	Very low	35.7	Very low	111 Å²	111	117.7 Å²	117.7	92%	0.917	80%	0.804	S	S	*	*			trans	-122.6	107.2	174.9	0	0	0	0	0	108.9
163	A	36	Very low	35.7	Very low	92 Å²	92	115.7 Å²	115.7	76%	0.76	80%	0.802	S	S	*	*			trans	-112.4	151.4	178.7	0	0	0	0	0	110.6
164	G	32.5	Very low	35.7	Very low	86 Å²	86	117.7 Å²	117.7	89%	0.887	81%	0.813	S	S	*	*			trans	-121.5	94	164.9	0	0	0	0	0	109.3
165	S	33.4	Very low	35.4	Very low	106 Å²	106	119.1 Å²	119.1	74%	0.741	82%	0.818	S	S	*	*			trans	-151.1	138.4	177.7	52.8	0	0	0	0	111.3
166	E	33.2	Very low	35.1	Very low	187 Å²	187	116.7 Å²	116.7	87%	0.874	82%	0.815	S	S	*	*			trans	-153.3	158.3	174.5	-108.1	-139.1	106.4	0	0	109.6
167	P	37.4	Very low	35.1	Very low	101 Å²	101	121.9 Å²	121.9	66%	0.656	82%	0.819	S	S	*	*				-131.8	173	-106.5	36.3	-18.9	0	0	0	115.9
168	P	37.9	Very low	34.9	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	82%	0.82	S	S	*	*			trans	-98.9	158.2	-176.4	38	-35.7	0	0	0	115.3
169	P	36.4	Very low	34.5	Very low	93 Å²	93	122.8 Å²	122.8	60%	0.604	82%	0.816	S	S	*	*			trans	-127	167.3	149.8	37.7	-25.9	0	0	0	111.8
170	A	35.2	Very low	34.4	Very low	96 Å²	96	125.3 Å²	125.3	79%	0.793	81%	0.814	S	S	*	*			cis	-161.5	162.4	-22.3	0	0	0	0	0	108.6
171	T	34.7	Very low	34.1	Very low	142 Å²	142	128.6 Å²	128.6	87%	0.871	81%	0.811	S	S	*	*			trans	-78	143.6	-175.7	51.4	0	0	0	0	114.9
172	T	33.6	Very low	33.8	Very low	142 Å²	142	134.4 Å²	134.4	87%	0.871	81%	0.81	S	S	*	*			trans	-116.9	140.7	157.4	43.4	0	0	0	0	111.1
173	S	36	Very low	33.6	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	80%	0.804	S	S	*	*			trans	-88.7	163.8	-172.3	51.2	0	0	0	0	113.4
174	P	36.3	Very low	33.3	Very low	130 Å²	130	139.7 Å²	139.7	84%	0.844	81%	0.807	S	S	*	*			trans	-85.7	158.9	-155.2	34.1	-37.5	0	0	0	115.7
175	E	33.4	Very low	33.2	Very low	195 Å²	195	140.1 Å²	140.1	91%	0.911	79%	0.785	S	S	*	*			trans	-116.1	132.2	172.3	-66.7	-165.1	112.6	0	0	112.6
176	G	33.5	Very low	33	Very low	73 Å²	73	140.9 Å²	140.9	75%	0.753	79%	0.785	S	S	*	*			trans	58.7	76.8	143.3	0	0	0	0	0	120.4
177	Q	34.4	Very low	32.9	Very low	184 Å²	184	137 Å²	137	86%	0.86	77%	0.768	S	S	*	*			trans	-60.7	132.6	154.9	-71.9	179.1	-50.6	0	0	110.7	K179	Q177-K179 PolarHBondContact O-N 3.24Å
178	P	34.9	Very low	32.6	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	78%	0.778	S	S	*	*			trans	-70.6	126.4	159.7	30.3	-31.3	0	0	0	109	V180	P178-V180 PolarHBondContact O-N 3.3Å
179	K	29.3	Very low	32.2	Very low	195 Å²	195	141.4 Å²	141.4	85%	0.848	78%	0.779	S	S	*	*			trans	-83.3	95.9	168	-70.9	-173.4	176.6	-171.8	0	109	Q177	Q177-K179 PolarHBondContact O-N 3.24Å
180	V	31.5	Very low	32.2	Very low	132 Å²	132	143 Å²	143	80%	0.8	79%	0.79	S	S	*	*			trans	-88.3	146.7	161.5	-175	0	0	0	0	107.9	P178	P178-V180 PolarHBondContact O-N 3.3Å
181	H	29	Very low	32.1	Very low	180 Å²	180	142.2 Å²	142.2	83%	0.833	79%	0.791	S	S	*	*			trans	-79.3	155.4	-176.5	-84.7	-121.6	0	0	0	111.9	A183	H181-A183 PolarHBondContact O-N 3.08Å
182	R	26.1	Very low	32.1	Very low	227 Å²	227	143.1 Å²	143.1	86%	0.857	79%	0.791	S	S	*	*			trans	-80.7	110.3	-177.2	176.5	-171	-169.9	135	-1	109.7
183	A	30.3	Very low	32	Very low	96 Å²	96	139.8 Å²	139.8	79%	0.793	79%	0.785	S	S	*	*			trans	-102.1	160.9	159.4	0	0	0	0	0	109.6	H181	H181-A183 PolarHBondContact O-N 3.08Å
184	R	29.8	Very low	31.8	Very low	217 Å²	217	143.6 Å²	143.6	82%	0.819	79%	0.79	S	S	*	*			trans	-168.3	147.9	-173	-172.2	-176.3	-175.6	-141.5	-2.8	107.5
185	K	30.9	Very low	32	Very low	96 Å²	96	142.7 Å²	142.7	42%	0.417	78%	0.784	S	S	.	*			trans	66.9	133.8	-136.1	-58.5	-167.5	175.6	-155.5	0	108.6	E313 E316	K185-E313 IonicContact NZ-OE1 3.95Å; K185-E313 PolarHBondContact NZ-OE1 3.49Å; K185-E316 WeakPolarHBondContact CE-OE2 3.24Å; K185-E316 IonicContact NZ-OE2 3.24Å; K185-E316 PolarHBondContact NZ-OE2 2.93Å
186	T	29.8	Very low	32	Very low	121 Å²	121	139.3 Å²	139.3	74%	0.742	78%	0.779	S	S	*	*	S	Bend	cis	-94.6	-165.7	-2	53.7	0	0	0	0	112.1
187	M	31.5	Very low	32	Very low	107 Å²	107	142.7 Å²	142.7	53%	0.527	79%	0.785	S	S	.	*	S	Bend	trans	77.9	79.7	-161.7	-62.2	-67.8	-68.7	0	0	114	F827	M187-F827 HydrophobicContact SD-CE2 3.84Å; M187-F827 HydrophobicContact SD-CZ 4.21Å
188	S	30.2	Very low	32	Very low	123 Å²	123	139.4 Å²	139.4	86%	0.86	78%	0.779	S	S	*	*			trans	-64.3	148.6	-177.8	-56.2	0	0	0	0	113.4
189	K	30.3	Very low	32	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	79%	0.787	S	S	*	*			trans	-135.5	120.1	-170.8	-173.5	162.9	-171.2	143.4	0	112.9
190	P	35.5	Very low	32.2	Very low	126 Å²	126	142.8 Å²	142.8	82%	0.818	79%	0.785	S	S	*	*			trans	-56.8	136.7	-176.3	-29.4	36.1	0	0	0	115.7	N192	P190-N192 PolarHBondContact O-N 3.04Å; P190-N192 VanDerWaalsContact O-N 3.15Å
191	G	33.8	Very low	32.1	Very low	80 Å²	80	147.9 Å²	147.9	83%	0.825	79%	0.79	S	S	*	*			trans	-79.6	87	-171.8	0	0	0	0	0	116.5
192	N	34.4	Very low	32.3	Very low	162 Å²	162	144.6 Å²	144.6	87%	0.866	79%	0.785	S	S	*	*			trans	44.8	113.5	136.2	-170	25.8	0	0	0	120.4	P190	P190-N192 PolarHBondContact O-N 3.04Å; P190-N192 VanDerWaalsContact O-N 3.15Å
193	G	31.7	Very low	32.6	Very low	72 Å²	72	139.5 Å²	139.5	74%	0.742	78%	0.781	S	S	*	*			trans	-149	91.3	177.1	0	0	0	0	0	117.3
194	Q	31.8	Very low	32.7	Very low	191 Å²	191	143.6 Å²	143.6	89%	0.893	78%	0.784	S	S	*	*			trans	87.8	150.4	164.6	-61.5	-156.6	-101.1	0	0	120.6
195	P	39.2	Very low	32.6	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	78%	0.782	S	S	*	*			trans	-104.1	171.4	-161.3	41.9	-36	0	0	0	115.5
196	P	33.9	Very low	32.7	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	80%	0.8	S	S	*	*			trans	-96.5	163.5	-155.9	37.2	-37.9	0	0	0	116.9
197	V	33.3	Very low	32.7	Very low	144 Å²	144	146.1 Å²	146.1	87%	0.873	80%	0.801	S	S	*	*			trans	-120.1	121.8	165.5	179.5	0	0	0	0	109.4
198	P	35.4	Very low	32.4	Very low	115 Å²	115	148.6 Å²	148.6	75%	0.747	81%	0.809	S	S	*	*			trans	-103.9	131.4	-177.4	35.6	-29.9	0	0	0	113.3
199	E	34.3	Very low	32.4	Very low	194 Å²	194	152.7 Å²	152.7	91%	0.907	81%	0.806	S	S	*	*			trans	-132.3	149.8	157.5	-114.9	-167.6	144.8	0	0	112.9
200	K	32.8	Very low	32.3	Very low	186 Å²	186	151.7 Å²	151.7	81%	0.809	81%	0.806	S	S	*	*			trans	-118.9	142.4	-170	-56.9	171.3	-179.7	176.2	0	110.4
201	R	30.2	Very low	32.2	Very low	239 Å²	239	151.3 Å²	151.3	90%	0.902	81%	0.806	S	S	*	*				-169.6	164.2	124.4	-104.3	166.7	-118.1	-135.1	5.4	112.7
202	P	33.8	Very low	32.1	Very low	111 Å²	111	154.7 Å²	154.7	72%	0.721	81%	0.806	S	S	*	*			trans	-102.4	178	-151.5	43	-40.9	0	0	0	113.7
203	P	31.4	Very low	32.1	Very low	120 Å²	120	154.8 Å²	154.8	78%	0.779	81%	0.806	S	S	*	*			trans	-83.7	157.1	-173.1	34.2	-36.8	0	0	0	113.7
204	E	32.1	Very low	32.2	Very low	182 Å²	182	156.8 Å²	156.8	85%	0.85	80%	0.804	S	S	*	*			trans	-121.8	125.5	160.8	-89.4	-172.6	131.4	0	0	110.9
205	I	28.4	Very low	32.4	Very low	151 Å²	151	156 Å²	156	77%	0.774	80%	0.8	S	S	*	*			trans	-90.3	124.1	165.5	-62.6	167.6	0	0	0	106.7
206	Q	33.4	Very low	31.9	Very low	169 Å²	169	156.1 Å²	156.1	79%	0.79	80%	0.803	S	S	*	*			trans	-150.9	145.9	159.4	-123	156.3	98.5	0	0	111.9
207	H	28.6	Very low	31.9	Very low	167 Å²	167	159 Å²	159	77%	0.773	81%	0.811	S	S	*	*			trans	-81.3	162.3	-177.3	-66.1	-116.5	0	0	0	111.1
208	F	26.8	Very low	31.8	Very low	159 Å²	159	155.2 Å²	155.2	70%	0.697	80%	0.801	S	S	*	*				133.8	127.9	108.2	-148.4	-132.1	0	0	0	114.9
209	R	30.2	Very low	31.7	Very low	210 Å²	210	158.9 Å²	158.9	79%	0.792	81%	0.805	S	S	*	*			trans	66.5	135.4	161.8	-74	-179.6	175.8	167.3	0.4	120
210	M	26.6	Very low	31.6	Very low	174 Å²	174	156.6 Å²	156.6	86%	0.857	80%	0.804	S	S	*	*			trans	-72.2	148.1	163.1	-60.6	147.1	64.4	0	0	110.3
211	S	34	Very low	31.6	Very low	117 Å²	117	153.2 Å²	153.2	82%	0.818	80%	0.799	S	S	*	*			trans	-154.3	129.4	151.1	-69	0	0	0	0	106.3
212	D	31.9	Very low	31.8	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	79%	0.79	S	S	*	*			trans	-70.7	136.8	178.1	-60.2	-83.7	0	0	0	110.7
213	D	33.8	Very low	31.9	Very low	164 Å²	164	148 Å²	148	88%	0.877	79%	0.791	S	S	*	*			trans	-154.6	123.9	153.9	-120.4	-31.1	0	0	0	110.4
214	V	35.3	Very low	32.1	Very low	115 Å²	115	150.1 Å²	150.1	70%	0.697	80%	0.795	S	S	*	*			trans	-115.4	108.7	177.6	175.2	0	0	0	0	107.8
215	H	34.8	Very low	32	Very low	175 Å²	175	145.7 Å²	145.7	81%	0.81	79%	0.789	S	S	*	*			trans	176.4	119.6	132.7	-93.3	-58.8	0	0	0	115.1
216	S	29	Very low	32.4	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	79%	0.793	S	S	*	*				59.8	104.8	127.3	-156.6	0	0	0	0	122.1
217	L	34	Very low	32.5	Very low	183 Å²	183	150.1 Å²	150.1	96%	0.958	79%	0.794	S	S	*	*			trans	-158.1	145.3	151.3	-98.4	164.2	0	0	0	107.1
218	G	31.6	Very low	32.7	Very low	64 Å²	64	153 Å²	153	66%	0.66	80%	0.799	S	S	*	*			cis	-179.5	132.6	-8.5	0	0	0	0	0	109.2
219	K	32.3	Very low	32.9	Very low	193 Å²	193	153.8 Å²	153.8	84%	0.839	80%	0.802	S	S	*	*			trans	-58.1	151.1	-167.4	-70.6	178.6	176.5	177.3	0	116.1
220	V	32.9	Very low	33.1	Very low	146 Å²	146	151.7 Å²	151.7	89%	0.885	81%	0.805	S	S	*	*			trans	-125.7	133.4	148.8	179.4	0	0	0	0	108.8
221	T	32.6	Very low	33.4	Very low	115 Å²	115	148.6 Å²	148.6	71%	0.706	79%	0.792	S	S	*	*			trans	-158.9	132.6	-179.5	53.3	0	0	0	0	112
222	S	35.1	Very low	33.3	Very low	101 Å²	101	148.5 Å²	148.5	71%	0.706	79%	0.792	S	S	*	*			trans	-169.7	159.5	138.3	70.7	0	0	0	0	112.9
223	D	34.6	Very low	33.3	Very low	140 Å²	140	145.1 Å²	145.1	75%	0.749	79%	0.793	S	S	*	*			trans	67.3	143.1	160.6	-53.4	-57.5	0	0	0	118.9
224	L	35.8	Very low	33.2	Very low	163 Å²	163	141.3 Å²	141.3	85%	0.853	79%	0.792	S	S	*	*			cis	-143.8	150.8	7.8	-163	78.9	0	0	0	111
225	A	31.2	Very low	32.8	Very low	89 Å²	89	139.5 Å²	139.5	74%	0.736	80%	0.796	S	S	*	*			trans	-146.7	142.3	175.8	0	0	0	0	0	113.9
226	K	37.1	Very low	32.7	Very low	195 Å²	195	139.8 Å²	139.8	85%	0.848	80%	0.803	S	S	*	*			trans	-171.9	115.3	164.9	-111.6	155.6	-171.3	164	0	116.1
227	R	34	Very low	32.6	Very low	218 Å²	218	139.8 Å²	139.8	82%	0.823	80%	0.803	S	S	*	*			trans	66.1	154.4	146.4	-68.4	178	170.8	-170.3	-5.4	117.1
228	R	33.6	Very low	32.6	Very low	228 Å²	228	140.2 Å²	140.2	86%	0.86	80%	0.8	S	S	*	*			cis	-146	179.4	19.6	-134.8	156.3	-173	165.9	-2.8	111.4
229	K	30.5	Very low	32.4	Very low	176 Å²	176	144.7 Å²	144.7	77%	0.765	80%	0.803	S	S	*	*			trans	-136.4	147.4	-170.3	162.5	178.7	177.5	171.9	0	111.2
230	L	35	Very low	32.4	Very low	165 Å²	165	142.9 Å²	142.9	86%	0.864	80%	0.802	S	S	*	*			trans	167.2	157.3	155.3	-88.1	152.7	0	0	0	108.5
231	N	32.5	Very low	32.2	Very low	110 Å²	110	139.5 Å²	139.5	59%	0.588	80%	0.797	S	S	*	*			cis	-172.1	149.5	-40.4	-142.5	81	0	0	0	111.7
232	S	32.9	Very low	32	Very low	115 Å²	115	140 Å²	140	80%	0.804	81%	0.805	S	S	*	*			trans	67.2	150.2	163.8	-49.8	0	0	0	0	118.6
233	G	31.6	Very low	31.9	Very low	80 Å²	80	140 Å²	140	83%	0.825	81%	0.811	S	S	*	*			cis	161.1	147.9	-11.5	0	0	0	0	0	114.8
234	G	31.9	Very low	31.5	Very low	84 Å²	84	144.8 Å²	144.8	87%	0.866	82%	0.819	S	S	*	*			trans	102	141.9	179.8	0	0	0	0	0	113.4
235	G	26.5	Very low	31.3	Very low	76 Å²	76	149 Å²	149	78%	0.784	82%	0.823	S	S	*	*			cis	97	121.3	10.4	0	0	0	0	0	110.9
236	L	33.5	Very low	31.1	Very low	181 Å²	181	150.8 Å²	150.8	95%	0.948	83%	0.831	S	S	*	*				-151.5	176.2	50.1	-77.8	160.7	0	0	0	113.3
237	S	26.9	Very low	30.8	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	83%	0.829	S	S	*	*			trans	-105.5	159.8	175.8	-44.8	0	0	0	0	112.8
238	E	32.5	Very low	30.4	Very low	192 Å²	192	143 Å²	143	90%	0.897	83%	0.828	S	S	*	*			trans	155.9	150.9	154.2	-92.9	173	166.1	0	0	108.8
239	E	28.2	Very low	30.3	Very low	158 Å²	158	139.2 Å²	139.2	74%	0.738	83%	0.83	S	S	*	*			cis	-177.5	168.9	-28.2	-125.5	-96.3	92.5	0	0	107.5
240	L	31.2	Very low	30.2	Very low	155 Å²	155	135 Å²	135	81%	0.812	82%	0.819	S	S	*	*			trans	66.6	152	163.4	-59.1	153.1	0	0	0	120.6
241	G	29.2	Very low	29.9	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	82%	0.818	S	S	*	*			trans	155.5	-2.9	151	0	0	0	0	0	123.4
242	S	28.2	Very low	29.9	Very low	126 Å²	126	136 Å²	136	88%	0.881	83%	0.829	S	S	*	*			trans	-37.4	132.1	-174.3	-178.5	0	0	0	0	118.9
243	A	32.6	Very low	29.8	Very low	100 Å²	100	139.1 Å²	139.1	83%	0.826	83%	0.828	S	S	*	*			trans	-156.6	138.2	152	0	0	0	0	0	113.2
244	R	26.9	Very low	29.7	Very low	242 Å²	242	138.9 Å²	138.9	91%	0.913	83%	0.825	S	S	*	*			trans	-94.8	148.4	174.6	-64.7	174.7	173.1	175.3	-4.1	111.9
245	R	30.7	Very low	29.6	Very low	251 Å²	251	140.8 Å²	140.8	95%	0.947	82%	0.816	S	S	*	*			trans	-162.2	146.1	132.9	-117.1	173.5	-174.4	-124.7	-2	113.6
246	S	26.9	Very low	30	Very low	127 Å²	127	143.2 Å²	143.2	89%	0.888	82%	0.818	S	S	*	*			trans	-86.8	156.7	-179.2	-36.3	0	0	0	0	112.4
247	G	32.3	Very low	29.9	Very low	79 Å²	79	137.4 Å²	137.4	81%	0.814	80%	0.801	S	S	*	*			trans	-154.5	105.2	167.9	0	0	0	0	0	110.5
248	E	25.9	Very low	29.9	Very low	171 Å²	171	137.9 Å²	137.9	80%	0.799	81%	0.805	S	S	*	*			trans	-98.5	137.8	177.6	-177.3	-171	148	0	0	109.5	T250	E248-T250 PolarHBondContact OE1-OG1 2.99Å
249	V	31.4	Very low	29.8	Very low	148 Å²	148	136.8 Å²	136.8	90%	0.897	80%	0.804	S	S	*	*			trans	-141.7	135.1	168.8	-177.9	0	0	0	0	108.3
250	T	27.4	Very low	30	Very low	88 Å²	88	137.9 Å²	137.9	54%	0.54	81%	0.809	S	S	.	*			trans	-140	159.3	-161.5	-45.5	0	0	0	0	110.4	E248	E248-T250 PolarHBondContact OE1-OG1 2.99Å
251	L	28.7	Very low	30	Very low	160 Å²	160	139.1 Å²	139.1	84%	0.838	81%	0.811	S	S	*	*			trans	73.7	154.1	-178.9	-63.3	113.6	0	0	0	115.3
252	T	33.6	Very low	30.2	Very low	135 Å²	135	146.4 Å²	146.4	83%	0.828	82%	0.815	S	S	*	*			cis	-121.8	165.8	14.1	47.9	0	0	0	0	114.5
253	K	29.2	Very low	30.3	Very low	181 Å²	181	149.4 Å²	149.4	79%	0.787	82%	0.815	S	S	*	*			trans	-109.7	148.6	-179.1	-172.4	-173.4	-179.7	-158.6	0	111.1	D255	K253-D255 IonicContact NZ-OD2 2.59Å; K253-D255 PolarHBondContact NZ-OD2 3.05Å
254	G	31.1	Very low	30.4	Very low	74 Å²	74	150.3 Å²	150.3	76%	0.763	81%	0.811	S	S	*	*			trans	-142.5	128.9	166.5	0	0	0	0	0	111.6
255	D	28.5	Very low	30.5	Very low	124 Å²	124	145.4 Å²	145.4	66%	0.663	81%	0.808	S	S	*	*			trans	-82.2	162	171.6	-102.7	-75.1	0	0	0	110.1	K253	K253-D255 IonicContact NZ-OD2 2.59Å; K253-D255 PolarHBondContact NZ-OD2 3.05Å
256	P	36.2	Very low	30.7	Very low	127 Å²	127	139.9 Å²	139.9	83%	0.825	80%	0.801	S	S	*	*			cis	-149.4	170.4	45.1	42.5	-23	0	0	0	119.2
257	G	30	Very low	30.9	Very low	59 Å²	59	137 Å²	137	61%	0.608	79%	0.792	S	S	*	*				119	67.4	122.7	0	0	0	0	0	120.8
258	S	27.6	Very low	30.7	Very low	123 Å²	123	141.5 Å²	141.5	86%	0.86	80%	0.797	S	S	*	*			trans	42.8	102.3	144.2	62.4	0	0	0	0	120.2
259	L	30	Very low	31	Very low	170 Å²	170	140.5 Å²	140.5	89%	0.89	80%	0.797	S	S	*	*			trans	-139.9	133.2	143.5	-162	76.3	0	0	0	107.1
260	E	31.7	Very low	30.9	Very low	180 Å²	180	142.8 Å²	142.8	84%	0.841	80%	0.795	S	S	*	*			trans	-96.1	112	-177.1	-70.3	179.4	133	0	0	110.7
261	E	31.6	Very low	30.9	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	81%	0.805	S	S	*	*			trans	-75.3	148.1	171.3	-76.5	177.7	112.6	0	0	111.8
262	W	33.4	Very low	31.3	Very low	228 Å²	228	143 Å²	143	86%	0.864	80%	0.801	S	S	*	*			trans	-107.1	75.1	179.5	-78.3	49.7	0	0	0	110.5	T264	W262-T264 PolarHBondContact O-N 3.07Å
263	E	30.8	Very low	31.3	Very low	189 Å²	189	145.6 Å²	145.6	88%	0.883	80%	0.798	S	S	*	*			trans	-71.8	118.3	164.7	-70.1	-165.7	127	0	0	109.9
264	T	34	Very low	31.6	Very low	119 Å²	119	145.9 Å²	145.9	73%	0.73	80%	0.795	S	S	*	*			trans	-100.5	111.2	177.2	-36.2	0	0	0	0	109.4	W262 V266	W262-T264 PolarHBondContact O-N 3.07Å; T264-V266 PolarHBondContact O-N 3.21Å
265	V	29.9	Very low	31.6	Very low	140 Å²	140	147.8 Å²	147.8	85%	0.848	79%	0.788	S	S	*	*			trans	-67.7	118.1	-177.7	-179.8	0	0	0	0	110.5
266	V	33.7	Very low	31.7	Very low	135 Å²	135	146.2 Å²	146.2	82%	0.818	79%	0.786	S	S	*	*			trans	-113.9	121.7	165.1	-178.6	0	0	0	0	107	T264	T264-V266 PolarHBondContact O-N 3.21Å
267	G	32	Very low	31.6	Very low	66 Å²	66	151.5 Å²	151.5	68%	0.68	79%	0.792	S	S	*	*			trans	-74.5	144.1	-169.1	0	0	0	0	0	114.7	D269	G267-D269 PolarHBondContact O-N 3.13Å
268	D	28.5	Very low	31.6	Very low	173 Å²	173	154.1 Å²	154.1	93%	0.925	80%	0.8	S	S	*	*			trans	-67.3	105.3	173.2	-64.3	-67.6	0	0	0	112.4
269	D	31	Very low	31.9	Very low	150 Å²	150	154.2 Å²	154.2	80%	0.802	80%	0.796	S	S	*	*			trans	-160.5	69.8	146.8	-152.1	1.1	0	0	0	114.8	G267	G267-D269 PolarHBondContact O-N 3.13Å
270	F	29.8	Very low	32	Very low	196 Å²	196	151.9 Å²	151.9	86%	0.86	78%	0.784	S	S	*	*			trans	-152.4	87.3	156.4	-153.4	-96.4	0	0	0	113.9
271	S	28.1	Very low	32.1	Very low	108 Å²	108	152.4 Å²	152.4	76%	0.755	79%	0.787	S	S	*	*			trans	-117.5	95.7	177.4	54.9	0	0	0	0	112.7
272	L	36.2	Very low	32.4	Very low	144 Å²	144	153.9 Å²	153.9	75%	0.754	78%	0.784	S	S	*	*			trans	-143.6	106.4	164.7	-83.8	-173.7	0	0	0	114.3
273	Y	34.8	Very low	32.3	Very low	190 Å²	190	149.1 Å²	149.1	75%	0.745	78%	0.78	S	S	*	*			trans	62.3	90.6	137.8	-101.7	-101.4	0	0	0	119.9	D275	Y273-D275 HydrophobicContact CE1-CB 4.5Å
274	Y	33.9	Very low	32.6	Very low	187 Å²	187	148 Å²	148	73%	0.733	78%	0.78	S	S	*	*				-138.6	103.9	125.9	-130.3	-87.2	0	0	0	109.2	R914	Y274-R914 PolarHBondContact OH-NH1 2.92Å
275	D	32.1	Very low	32.7	Very low	114 Å²	114	147 Å²	147	61%	0.61	78%	0.778	S	S	*	*			trans	-113.6	157.4	-170.9	-161.5	-24.3	0	0	0	110.7	Y273	Y273-D275 HydrophobicContact CE1-CB 4.5Å
276	S	31.6	Very low	32.9	Very low	91 Å²	91	148.1 Å²	148.1	64%	0.636	78%	0.779	S	S	*	*			trans	69.7	79.5	163.3	-63.1	0	0	0	0	117.9
277	Y	32.2	Very low	33.2	Very low	239 Å²	239	147.1 Å²	147.1	94%	0.937	78%	0.778	S	S	*	*				-137.1	90.9	128.1	-88.7	-68.5	0	0	0	110.3
278	S	30	Very low	33.3	Very low	113 Å²	113	151.6 Å²	151.6	79%	0.79	78%	0.779	S	S	*	*			trans	-81.7	136.8	166.2	-176.7	0	0	0	0	109.9
279	V	35.5	Very low	33.7	Very low	125 Å²	125	148.3 Å²	148.3	76%	0.758	77%	0.77	S	S	*	*			trans	-130.2	118.2	166.6	-177.6	0	0	0	0	106.8	E281	V279-E281 PolarHBondContact O-N 2.74Å
280	D	31.1	Very low	34	Very low	122 Å²	122	149 Å²	149	65%	0.652	77%	0.768	S	S	*	*			trans	-58.8	120.9	165.8	-89.7	-103.2	0	0	0	109
281	E	34.3	Very low	34.5	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	75%	0.752	S	S	*	*			trans	-131.2	149.9	136.5	-74.9	-146.3	131	0	0	109.4	V279	V279-E281 PolarHBondContact O-N 2.74Å
282	R	37.5	Very low	35	Very low	212 Å²	212	144.1 Å²	144.1	80%	0.8	74%	0.742	S	S	*	*			trans	-108.6	146.9	-171.2	-65.9	-179.8	-178.5	-177.6	-0.9	110.3	D284	R282-D284 PolarHBondContact O-N 2.86Å
283	V	32.4	Very low	35.1	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	73%	0.731	S	S	*	*			trans	-72.1	106.9	175.7	-175.2	0	0	0	0	109.5	S285	V283-S285 VanDerWaalsContact CG1-OG 3.25Å; V283-S285 WeakPolarHBondContact CG1-OG 3.23Å
284	D	36.7	Very low	35.4	Very low	166 Å²	166	136.1 Å²	136.1	89%	0.888	72%	0.721	S	S	*	*			trans	-103.8	92.3	158.5	-85.4	-42.5	0	0	0	108.2	R282	R282-D284 PolarHBondContact O-N 2.86Å
285	S	35.1	Very low	35.7	Very low	99 Å²	99	131.4 Å²	131.4	69%	0.692	71%	0.712	S	S	*	*			trans	-87.7	108.6	175.2	-68.6	0	0	0	0	110.8	V283	V283-S285 VanDerWaalsContact CG1-OG 3.25Å; V283-S285 WeakPolarHBondContact CG1-OG 3.23Å
286	D	34.9	Very low	36.2	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	71%	0.714	S	S	*	*			trans	-160.3	148	155.3	-109.3	-31.2	0	0	0	110.8
287	S	39.3	Very low	36.8	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	71%	0.707	S	S	*	*			trans	87.8	62.1	-177.9	-39	0	0	0	0	117.4
288	K	34.7	Very low	37.2	Very low	161 Å²	161	126.6 Å²	126.6	70%	0.7	69%	0.687	S	S	*	*			trans	-117	89.8	162.7	-160.1	-167.6	-168	-153.8	0	111.5	E292	K288-E292 WeakPolarHBondContact CE-OE1 3.48Å; K288-E292 IonicContact NZ-OE1 2.62Å; K288-E292 PolarHBondContact NZ-OE1 2.85Å
289	S	36.6	Very low	37.8	Very low	104 Å²	104	123.7 Å²	123.7	73%	0.727	67%	0.667	S	S	*	*	S	Bend	trans	-157.7	-0.4	173.8	62.8	0	0	0	0	116.7
290	E	38	Very low	38.3	Very low	163 Å²	163	123.7 Å²	123.7	76%	0.762	66%	0.658	S	S	*	*	S	Bend	trans	-131.3	10.3	-175.7	-64.9	-173	137.7	0	0	113.7
291	V	40	Very low	39.1	Very low	88 Å²	88	123.4 Å²	123.4	53%	0.533	65%	0.653	S	S	.	*	S	Bend	trans	-105.8	-34.5	-174.9	-170.6	0	0	0	0	112.8	A293 L294 T295	V291-A293 VanDerWaalsContact C-N 3.28Å; V291-A293 PolarHBondContact O-N 3.14Å; V291-L294 PolarHBondContact O-N 3.4Å; V291-T295 PolarHBondContact O-N 2.84Å; V291-T295 VanDerWaalsContact O-N 3.15Å; V291-T295 PolarHBondContact O-OG1 2.97Å
292	E	38.7	Very low	39.5	Very low	115 Å²	115	120.9 Å²	120.9	54%	0.537	64%	0.641	S	S	.	*	H	α-helix	trans	-63.7	-33.1	-175.7	-69.6	168.8	158.6	0	0	112.3	K288 L294 T295 E296	K288-E292 WeakPolarHBondContact CE-OE1 3.48Å; K288-E292 IonicContact NZ-OE1 2.62Å; K288-E292 PolarHBondContact NZ-OE1 2.85Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 3.38Å; E292-T295 PolarHBondContact O-N 3.11Å; E292-E296 PolarHBondContact O-N 2.74Å
293	A	37.7	Very low	40	Very low	63 Å²	63	117.5 Å²	117.5	52%	0.521	64%	0.635	S	S	.	*	H	α-helix	trans	-73.2	-18.9	174.4	0	0	0	0	0	114.3	V291 Q297	V291-A293 VanDerWaalsContact C-N 3.28Å; V291-A293 PolarHBondContact O-N 3.14Å; A293-Q297 WeakPolarHBondContact O-CG 3.43Å
294	L	41.4	Very low	41.2	Very low	103 Å²	103	118.1 Å²	118.1	54%	0.539	63%	0.629	S	S	.	*	H	α-helix	trans	-88.5	-23.1	173.4	-73.3	170.2	0	0	0	111.8	V291 E292 L298	V291-L294 PolarHBondContact O-N 3.4Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 3.38Å; L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.34Å; L294-L298 VanDerWaalsContact O-N 3.11Å
295	T	39.1	Very low	42.1	Very low	88 Å²	88	117 Å²	117	54%	0.54	62%	0.619	S	S	.	*	H	α-helix	trans	-74.1	-38.6	174.1	-50.2	0	0	0	0	111.6	V291 E292 L298 S299	V291-T295 PolarHBondContact O-N 2.84Å; V291-T295 VanDerWaalsContact O-N 3.15Å; V291-T295 PolarHBondContact O-OG1 2.97Å; E292-T295 PolarHBondContact O-N 3.11Å; T295-L298 PolarHBondContact O-N 3.42Å; T295-S299 PolarHBondContact O-N 2.98Å; T295-S299 VanDerWaalsContact O-N 3.15Å; T295-S299 PolarHBondContact O-OG 2.96Å
296	E	44.3	Very low	42.8	Very low	141 Å²	141	119.7 Å²	119.7	66%	0.659	62%	0.62	S	S	*	*	H	α-helix	trans	-63.9	-40.2	173.1	-69.5	-179.9	151.3	0	0	111.8	E292 S299 E300	E292-E296 PolarHBondContact O-N 2.74Å; E296-S299 WeakPolarHBondContact CA-OG 3.44Å; E296-S299 PolarHBondContact O-N 2.86Å; E296-S299 PolarHBondContact O-OG 3.5Å; E296-E300 PolarHBondContact O-N 2.95Å; E296-E300 VanDerWaalsContact O-N 3.07Å
297	Q	42.3	Very low	43.9	Very low	104 Å²	104	119 Å²	119	49%	0.486	61%	0.612	S	S	.	*	H	α-helix	trans	-69.4	-35.8	177.3	-68.2	-165.4	-81.6	0	0	113.5	A293 S299 E300 E301	A293-Q297 WeakPolarHBondContact O-CG 3.43Å; Q297-S299 VanDerWaalsContact C-N 3.34Å; Q297-E300 PolarHBondContact O-N 2.71Å; Q297-E301 WeakPolarHBondContact O-CG 3.49Å; Q297-E301 PolarHBondContact O-N 2.98Å
298	L	42.3	Very low	44.8	Very low	97 Å²	97	120.5 Å²	120.5	51%	0.508	61%	0.606	S	S	.	*	H	α-helix	trans	-70.3	-29.3	175.4	-74.1	167.9	0	0	0	112.5	L294 T295 E302	L294-L298 VanDerWaalsContact O-CG 3.32Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.34Å; L294-L298 VanDerWaalsContact O-N 3.11Å; T295-L298 PolarHBondContact O-N 3.42Å; L298-E302 WeakPolarHBondContact O-CB 3.46Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.36Å
299	S	41.8	Very low	45.7	Very low	53 Å²	53	120.2 Å²	120.2	37%	0.371	61%	0.607	S	S	.	*	H	α-helix	trans	-74.5	-30	170.2	49.3	0	0	0	0	113.4	T295 E296 Q297 E303	T295-S299 PolarHBondContact O-N 2.98Å; T295-S299 VanDerWaalsContact O-N 3.15Å; T295-S299 PolarHBondContact O-OG 2.96Å; E296-S299 WeakPolarHBondContact CA-OG 3.44Å; E296-S299 PolarHBondContact O-N 2.86Å; E296-S299 PolarHBondContact O-OG 3.5Å; Q297-S299 VanDerWaalsContact C-N 3.34Å; S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 WeakPolarHBondContact O-CG 3.42Å; S299-E303 PolarHBondContact O-N 3.34Å
300	E	46.4	Very low	46.5	Very low	125 Å²	125	122.7 Å²	122.7	58%	0.584	61%	0.607	S	S	*	*	H	α-helix	trans	-69.7	-37.5	170.3	-71.3	178.3	157.2	0	0	110.8	E296 Q297 E304	E296-E300 PolarHBondContact O-N 2.95Å; E296-E300 VanDerWaalsContact O-N 3.07Å; Q297-E300 PolarHBondContact O-N 2.71Å; E300-E304 WeakPolarHBondContact O-CG 3.15Å; E300-E304 PolarHBondContact O-N 2.89Å
301	E	47	Very low	47.4	Very low	115 Å²	115	122 Å²	122	54%	0.537	60%	0.604	S	S	.	*	H	α-helix	trans	-69.7	-37.2	173.9	-71.8	175.4	172.4	0	0	112.6	Q297 E305	Q297-E301 WeakPolarHBondContact O-CG 3.49Å; Q297-E301 PolarHBondContact O-N 2.98Å; E301-E305 PolarHBondContact O-N 3.31Å
302	E	44	Very low	48.2	Very low	138 Å²	138	125 Å²	125	65%	0.645	61%	0.612	S	S	*	*	H	α-helix	trans	-70.7	-34.7	173.4	-76.1	177.9	170.9	0	0	112.8	L298 E306	L298-E302 WeakPolarHBondContact O-CB 3.46Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.36Å; E302-E306 PolarHBondContact O-N 3.29Å; E302-E306 VanDerWaalsContact O-N 3.11Å
303	E	47.9	Very low	48.6	Very low	142 Å²	142	124 Å²	124	66%	0.664	61%	0.608	S	S	*	*	H	α-helix	trans	-71.7	-33.4	172.8	-75.6	-176.5	179	0	0	112.2	S299 E307	S299-E303 WeakPolarHBondContact O-CB 3.4Å; S299-E303 WeakPolarHBondContact O-CG 3.42Å; S299-E303 PolarHBondContact O-N 3.34Å; E303-E307 PolarHBondContact O-N 2.82Å; E303-E307 VanDerWaalsContact O-N 3.15Å
304	E	57	Low	49.1	Very low	140 Å²	140	128.4 Å²	128.4	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-71.4	-35.6	172.4	-75	-173.5	169.9	0	0	112.4	E300 E307 E308	E300-E304 WeakPolarHBondContact O-CG 3.15Å; E300-E304 PolarHBondContact O-N 2.89Å; E304-E307 PolarHBondContact O-N 3.04Å; E304-E308 PolarHBondContact O-N 3.42Å
305	E	54.5	Low	49.6	Very low	143 Å²	143	130.8 Å²	130.8	67%	0.668	63%	0.626	S	S	*	*	H	α-helix	trans	-69.5	-34.8	173.2	-76.3	-170.6	169.5	0	0	112.8	E301 E308 E309	E301-E305 PolarHBondContact O-N 3.31Å; E305-E308 PolarHBondContact O-N 3.12Å; E305-E309 PolarHBondContact O-N 2.97Å
306	E	50.7	Low	50	Low	154 Å²	154	132.3 Å²	132.3	72%	0.72	63%	0.627	S	S	*	*	H	α-helix	trans	-69.3	-35.3	172.2	-76.4	-167.7	170.5	0	0	112.5	E302 E310	E302-E306 PolarHBondContact O-N 3.29Å; E302-E306 VanDerWaalsContact O-N 3.11Å; E306-E310 PolarHBondContact O-N 2.96Å
307	E	57.3	Low	50.1	Low	148 Å²	148	131.8 Å²	131.8	69%	0.692	62%	0.624	S	S	*	*	H	α-helix	trans	-70.4	-35.4	172.4	-74.5	-164.6	166.2	0	0	112.4	E303 E304 E311	E303-E307 PolarHBondContact O-N 2.82Å; E303-E307 VanDerWaalsContact O-N 3.15Å; E304-E307 PolarHBondContact O-N 3.04Å; E307-E311 PolarHBondContact O-N 3.36Å; E307-E311 VanDerWaalsContact O-N 3.1Å
308	E	60.1	Low	50.2	Low	146 Å²	146	134.2 Å²	134.2	68%	0.682	64%	0.636	S	S	*	*	H	α-helix	trans	-70.7	-36.5	174.7	-75.1	-165.4	168.3	0	0	113	E304 E305 E311 E312	E304-E308 PolarHBondContact O-N 3.42Å; E305-E308 PolarHBondContact O-N 3.12Å; E308-E311 PolarHBondContact O-N 3.24Å; E308-E312 PolarHBondContact O-N 2.99Å
309	E	52.6	Low	50.4	Low	154 Å²	154	137.1 Å²	137.1	72%	0.72	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-32.5	173.2	-76.4	-159.5	167.9	0	0	112.7	E305 E313	E305-E309 PolarHBondContact O-N 2.97Å; E309-E313 PolarHBondContact O-N 3.07Å; E309-E313 VanDerWaalsContact O-N 3.15Å
310	E	52.7	Low	50.6	Low	157 Å²	157	142.8 Å²	142.8	73%	0.734	67%	0.667	S	S	*	*	H	α-helix	trans	-69.2	-37.1	171.1	-76.4	-159.4	164.8	0	0	112.3	E306 E314	E306-E310 PolarHBondContact O-N 2.96Å; E310-E314 PolarHBondContact O-N 2.74Å
311	E	58.2	Low	50.5	Low	149 Å²	149	144.5 Å²	144.5	70%	0.696	68%	0.675	S	S	*	*	H	α-helix	trans	-70.3	-37.6	174.1	-73	-160.2	163.7	0	0	112.7	E307 E308 E314 E315	E307-E311 PolarHBondContact O-N 3.36Å; E307-E311 VanDerWaalsContact O-N 3.1Å; E308-E311 PolarHBondContact O-N 3.24Å; E311-E314 PolarHBondContact O-N 2.71Å; E311-E315 PolarHBondContact O-N 2.82Å
312	E	55.9	Low	50.5	Low	151 Å²	151	147 Å²	147	71%	0.706	69%	0.687	S	S	*	*	H	α-helix	trans	-68.9	-35	175.3	-77.6	-157	166.1	0	0	113.2	E308 E315 E316	E308-E312 PolarHBondContact O-N 2.99Å; E312-E315 PolarHBondContact O-N 3.39Å; E312-E316 PolarHBondContact O-N 2.83Å
313	E	48.4	Very low	50.4	Low	94 Å²	94	148.9 Å²	148.9	44%	0.439	70%	0.696	S	S	.	*	H	α-helix	trans	-71.2	-31.1	172.7	-73.3	-131.6	117.7	0	0	112.7	K185 E309 E317	K185-E313 IonicContact NZ-OE1 3.95Å; K185-E313 PolarHBondContact NZ-OE1 3.49Å; E309-E313 PolarHBondContact O-N 3.07Å; E309-E313 VanDerWaalsContact O-N 3.15Å; E313-E317 PolarHBondContact O-N 2.71Å
314	E	47.5	Very low	50.2	Low	155 Å²	155	149 Å²	149	72%	0.724	70%	0.701	S	S	*	*	H	α-helix	trans	-69.7	-38.6	170.2	-75.2	-156.2	160.5	0	0	112.2	E310 E311 E317 E318	E310-E314 PolarHBondContact O-N 2.74Å; E311-E314 PolarHBondContact O-N 2.71Å; E314-E317 PolarHBondContact O-N 2.56Å; E314-E318 PolarHBondContact O-N 3.49Å; E314-E318 VanDerWaalsContact O-N 3.08Å
315	E	52.2	Low	49.3	Very low	153 Å²	153	151.1 Å²	151.1	72%	0.715	71%	0.711	S	S	*	*	H	α-helix	trans	-68.4	-37.8	174.9	-74.3	-155.4	160.6	0	0	113	E311 E312 E317 E318 E319	E311-E315 PolarHBondContact O-N 2.82Å; E312-E315 PolarHBondContact O-N 3.39Å; E315-E317 VanDerWaalsContact C-N 3.35Å; E315-E317 PolarHBondContact O-N 3.03Å; E315-E318 PolarHBondContact O-N 2.85Å; E315-E319 PolarHBondContact O-N 2.87Å
316	E	47.2	Very low	48.4	Very low	120 Å²	120	153.4 Å²	153.4	56%	0.561	72%	0.722	S	S	*	*	H	α-helix	trans	-62.5	-37.1	173.7	-91	-156.5	163.7	0	0	112.5	K185 E312 E320	K185-E316 WeakPolarHBondContact CE-OE2 3.24Å; K185-E316 IonicContact NZ-OE2 3.24Å; K185-E316 PolarHBondContact NZ-OE2 2.93Å; E312-E316 PolarHBondContact O-N 2.83Å; E316-E320 PolarHBondContact O-N 3.11Å
317	E	45.8	Very low	47.8	Very low	130 Å²	130	151 Å²	151	61%	0.607	72%	0.721	S	S	*	*	H	α-helix	trans	-76.1	-30	177.1	-69.4	-156.1	163.7	0	0	113	E313 E314 E315 E321	E313-E317 PolarHBondContact O-N 2.71Å; E314-E317 PolarHBondContact O-N 2.56Å; E315-E317 VanDerWaalsContact C-N 3.35Å; E315-E317 PolarHBondContact O-N 3.03Å; E317-E321 PolarHBondContact O-N 3.24Å
318	E	45.4	Very low	46.6	Very low	155 Å²	155	147.1 Å²	147.1	72%	0.724	72%	0.721	S	S	*	*	H	α-helix	trans	-70.8	-36.9	170.6	-72.3	-152.1	158.6	0	0	112.6	E314 E315 E321 E322	E314-E318 PolarHBondContact O-N 3.49Å; E314-E318 VanDerWaalsContact O-N 3.08Å; E315-E318 PolarHBondContact O-N 2.85Å; E318-E321 PolarHBondContact O-N 2.71Å; E318-E322 PolarHBondContact O-N 2.75Å; E318-E322 VanDerWaalsContact O-N 3.12Å
319	E	46.4	Very low	45.4	Very low	157 Å²	157	147.5 Å²	147.5	73%	0.734	73%	0.728	S	S	*	*	H	α-helix	trans	-68.9	-39.6	174.9	-74.7	-150.5	152.6	0	0	113	E315 E321 E322 E323	E315-E319 PolarHBondContact O-N 2.87Å; E319-E321 VanDerWaalsContact C-N 3.33Å; E319-E321 PolarHBondContact O-N 3.04Å; E319-E322 PolarHBondContact O-N 3.12Å; E319-E323 PolarHBondContact O-N 3.24Å
320	E	45.5	Very low	44.7	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	73%	0.732	S	S	*	*	H	α-helix	trans	-68.3	-25.4	174.7	-77.3	-155.4	170.3	0	0	113	E316	E316-E320 PolarHBondContact O-N 3.11Å
321	E	44.8	Very low	44.2	Very low	162 Å²	162	146.3 Å²	146.3	76%	0.757	74%	0.735	S	S	*	*	H	α-helix	trans	-81.1	-30.6	172.4	-75.3	-148.6	158.5	0	0	114.2	E317 E318 E319	E317-E321 PolarHBondContact O-N 3.24Å; E318-E321 PolarHBondContact O-N 2.71Å; E319-E321 VanDerWaalsContact C-N 3.33Å; E319-E321 PolarHBondContact O-N 3.04Å
322	E	46.1	Very low	43.2	Very low	166 Å²	166	144.9 Å²	144.9	78%	0.776	73%	0.732	S	S	*	*	H	α-helix	trans	-73.8	-32	176.5	-76.8	-137.5	147.5	0	0	113.8	E318 E319 D324	E318-E322 PolarHBondContact O-N 2.75Å; E318-E322 VanDerWaalsContact O-N 3.12Å; E319-E322 PolarHBondContact O-N 3.12Å; E322-D324 VanDerWaalsContact C-N 3.32Å; E322-D324 PolarHBondContact O-N 3.09Å
323	E	41.6	Very low	42.4	Very low	179 Å²	179	147.2 Å²	147.2	84%	0.836	74%	0.735	S	S	*	*	H	α-helix	trans	-66	-27.1	-179.7	-77.2	-141.9	142	0	0	114	E319	E319-E323 PolarHBondContact O-N 3.24Å
324	D	43.9	Very low	41.7	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	76%	0.755	S	S	*	*	H	α-helix	trans	-87.8	-15	-172.2	-132.8	15.3	0	0	0	113.8	E322	E322-D324 VanDerWaalsContact C-N 3.32Å; E322-D324 PolarHBondContact O-N 3.09Å
325	E	39.4	Very low	41.1	Very low	183 Å²	183	144.9 Å²	144.9	86%	0.855	76%	0.758	S	S	*	*	H	α-helix	trans	-85.4	-22.7	177.9	-84.3	-96.9	130.2	0	0	114.4	S327	E325-S327 VanDerWaalsContact C-N 3.34Å; E325-S327 PolarHBondContact O-N 2.97Å; E325-S327 VanDerWaalsContact O-N 3.1Å
326	E	34.9	Very low	40.3	Very low	192 Å²	192	143.1 Å²	143.1	90%	0.897	76%	0.763	S	S	*	*			trans	-86.8	48.2	-178.1	-147.5	-168.3	177.5	0	0	115.5
327	S	37.5	Very low	39.7	Very low	102 Å²	102	142.7 Å²	142.7	71%	0.713	77%	0.773	S	S	*	*			trans	-118.9	103.1	171.8	70.9	0	0	0	0	114.5	E325	E325-S327 VanDerWaalsContact C-N 3.34Å; E325-S327 PolarHBondContact O-N 2.97Å; E325-S327 VanDerWaalsContact O-N 3.1Å
328	G	31.9	Very low	39.4	Very low	67 Å²	67	140.5 Å²	140.5	69%	0.691	79%	0.785	S	S	*	*			trans	-61.9	168.8	-173.2	0	0	0	0	0	116.2
329	N	35.6	Very low	39.1	Very low	154 Å²	154	142.1 Å²	142.1	82%	0.824	78%	0.784	S	S	*	*				-167.6	169.6	65.7	-114.3	-61.3	0	0	0	118
330	Q	38	Very low	38.6	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	78%	0.78	S	S	*	*			trans	-61.8	143.9	178.8	-51.5	162.2	18.5	0	0	114
331	S	41.3	Very low	38.1	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.781	S	S	*	*				169.7	125.8	109.5	48.4	0	0	0	0	117.2
332	D	38.7	Very low	37.5	Very low	119 Å²	119	140.2 Å²	140.2	64%	0.636	78%	0.781	S	S	*	*			trans	46.8	118.8	138.5	-85.6	-30.6	0	0	0	125.6
333	R	37.4	Very low	37	Very low	200 Å²	200	141.4 Å²	141.4	76%	0.755	78%	0.784	S	S	*	*				87	97.5	126.6	-68	168.9	-154.1	-167.9	20.5	123.1
334	S	34.9	Very low	36.4	Very low	124 Å²	124	142.1 Å²	142.1	87%	0.867	78%	0.784	S	S	*	*				58.6	116.5	110.5	-55.7	0	0	0	0	121.8
335	G	34.9	Very low	35.8	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	79%	0.79	S	S	*	*			trans	-171.1	94.7	165.7	0	0	0	0	0	117
336	S	35.5	Very low	35.4	Very low	116 Å²	116	148.2 Å²	148.2	81%	0.811	79%	0.794	S	S	*	*			trans	-10.1	119.9	168.3	53.6	0	0	0	0	119.2
337	S	35.2	Very low	35.2	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	79%	0.792	S	S	*	*				73.1	92.6	77.5	-168.5	0	0	0	0	116.1
338	G	38.9	Very low	35.2	Very low	84 Å²	84	153.7 Å²	153.7	87%	0.866	80%	0.796	S	S	*	*			trans	-119	107.9	169.6	0	0	0	0	0	111.9
339	R	38.3	Very low	35.3	Very low	189 Å²	189	156.7 Å²	156.7	71%	0.713	80%	0.796	S	S	*	*			trans	-92.7	137.1	-163.4	-103.3	173.9	145.7	-166.1	3.2	115.4
340	R	36.7	Very low	35	Very low	172 Å²	172	154.6 Å²	154.6	65%	0.649	79%	0.794	S	S	*	*			trans	78.2	129.4	135.9	-76	171.9	161.5	-171.2	-5.6	121.5
341	K	35.1	Very low	35.1	Very low	188 Å²	188	151.5 Å²	151.5	82%	0.817	79%	0.789	S	S	*	*			trans	76.7	141.5	142.7	-69.6	172.9	179.7	-172	0	117.2
342	A	32.4	Very low	34.7	Very low	91 Å²	91	157.2 Å²	157.2	75%	0.752	79%	0.793	S	S	*	*			cis	-157.1	150	-5.2	0	0	0	0	0	115.1
343	K	34.1	Very low	34.4	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.835	79%	0.794	S	S	*	*			trans	37.6	126.9	148.1	-78.7	-178.7	173.6	175.4	0	121.9
344	K	29.7	Very low	34	Very low	193 Å²	193	156.5 Å²	156.5	84%	0.839	80%	0.798	S	S	*	*			trans	65.8	99	142.2	-69.4	-171.7	171.3	-171.7	0	118.9
345	K	32	Very low	34	Very low	210 Å²	210	155.8 Å²	155.8	91%	0.913	79%	0.791	S	S	*	*				-173.4	117.5	124.2	-108.3	175.9	-179.2	-178.5	0	112.3
346	W	30.1	Very low	33.9	Very low	247 Å²	247	158 Å²	158	94%	0.936	80%	0.795	S	S	*	*			trans	-152.7	136.8	131	-136.6	-50.3	0	0	0	108.5
347	R	31.4	Very low	33.5	Very low	223 Å²	223	163.9 Å²	163.9	84%	0.842	80%	0.799	S	S	*	*			trans	-130.3	141.8	163.5	-83.3	-167.7	176.7	-79.9	8.7	107.1
348	K	36.8	Very low	33.5	Very low	185 Å²	185	168.5 Å²	168.5	80%	0.804	81%	0.805	S	S	*	*			trans	-165	152.6	158.8	-139.9	-177.3	179.8	-175.6	0	109.9
349	D	34.8	Very low	33	Very low	130 Å²	130	175.9 Å²	175.9	70%	0.695	81%	0.807	S	S	*	*				-145	146.2	-66.6	-86.8	-33.1	0	0	0	108.4
350	S	30	Very low	32.7	Very low	111 Å²	111	178.6 Å²	178.6	78%	0.776	82%	0.817	S	S	*	*			trans	-98.6	178.2	157.3	-48.7	0	0	0	0	107.7
351	P	38.2	Very low	32.3	Very low	107 Å²	107	177.9 Å²	177.9	70%	0.695	82%	0.818	S	S	*	*			cis	-140.8	172.4	3.6	29.7	-4.8	0	0	0	117.3
352	W	34.4	Very low	32.2	Very low	234 Å²	234	180.8 Å²	180.8	89%	0.886	82%	0.824	S	S	*	*			trans	64.6	122.8	138.6	-75.5	38.3	0	0	0	124
353	V	31.1	Very low	32.2	Very low	109 Å²	109	183.1 Å²	183.1	66%	0.661	82%	0.82	S	S	*	*				65.9	102.3	126.9	-174.8	0	0	0	0	121.4
354	K	29.4	Very low	32.4	Very low	194 Å²	194	179.4 Å²	179.4	84%	0.843	82%	0.815	S	S	*	*			trans	52.3	170.3	130.3	-64.7	-177.7	179.6	176.2	0	120.8
355	P	36.2	Very low	32.9	Very low	110 Å²	110	175.9 Å²	175.9	71%	0.714	81%	0.812	S	S	*	*			cis	-133.4	174	-45.6	38	-23.7	0	0	0	113
356	S	30.8	Very low	32.8	Very low	124 Å²	124	177.3 Å²	177.3	87%	0.867	81%	0.812	S	S	*	*			trans	169.6	154.5	130	-83.7	0	0	0	0	116.6
357	R	28.6	Very low	32.9	Very low	238 Å²	238	170 Å²	170	90%	0.898	80%	0.804	S	S	*	*			trans	-75	145.1	173	-61.9	162	161.8	163.9	-9	112.6
358	K	34.1	Very low	33.1	Very low	207 Å²	207	169.4 Å²	169.4	90%	0.9	81%	0.807	S	S	*	*			trans	-173.7	85.2	136.5	-105.6	163.1	-175.4	175.4	0	117.3
359	R	27.8	Very low	32.6	Very low	239 Å²	239	169.3 Å²	169.3	90%	0.902	81%	0.81	S	S	*	*				26.8	113	126	-169.9	-172.7	-165.7	-168.5	6.4	120.2
360	R	32.4	Very low	32.7	Very low	246 Å²	246	167.8 Å²	167.8	93%	0.928	81%	0.807	S	S	*	*			trans	-171.1	97.5	147.4	-105.4	171.3	179.1	-115.2	0.3	108
361	K	28.5	Very low	32.8	Very low	157 Å²	157	174.3 Å²	174.3	68%	0.683	82%	0.815	S	S	*	*				45.8	109.3	78.3	-175.2	156.8	176.9	147.5	0	116	E363	K361-E363 VanDerWaalsContact CE-CD 3.46Å; K361-E363 WeakPolarHBondContact CE-OE2 3.45Å; K361-E363 IonicContact NZ-OE1 3.31Å; K361-E363 PolarHBondContact NZ-OE1 3.24Å; K361-E363 IonicContact NZ-OE2 3.67Å; K361-E363 PolarHBondContact NZ-OE2 2.82Å
362	R	33.1	Very low	32.5	Very low	249 Å²	249	172.7 Å²	172.7	94%	0.94	82%	0.817	S	S	*	*			trans	-149.6	151.7	140.6	-149.7	174.5	-172.1	-165.8	0.1	108.8
363	E	31.9	Very low	32.5	Very low	140 Å²	140	167.6 Å²	167.6	65%	0.654	81%	0.811	S	S	*	*			trans	-117.8	165.9	-169.8	-83.3	160.1	153.5	0	0	113	K361	K361-E363 VanDerWaalsContact CE-CD 3.46Å; K361-E363 WeakPolarHBondContact CE-OE2 3.45Å; K361-E363 IonicContact NZ-OE1 3.31Å; K361-E363 PolarHBondContact NZ-OE1 3.24Å; K361-E363 IonicContact NZ-OE2 3.67Å; K361-E363 PolarHBondContact NZ-OE2 2.82Å
364	P	40.3	Very low	32.6	Very low	115 Å²	115	169.4 Å²	169.4	75%	0.747	82%	0.818	S	S	*	*			trans	-106.5	171.7	-170.7	41.3	-36.1	0	0	0	115.3
365	P	38.7	Very low	32.8	Very low	119 Å²	119	162.9 Å²	162.9	77%	0.773	81%	0.805	S	S	*	*			trans	-109	128.3	150.5	34.9	-24.1	0	0	0	110.5
366	R	31	Very low	32.6	Very low	240 Å²	240	165 Å²	165	91%	0.906	82%	0.816	S	S	*	*				88.5	108.2	61.8	-86.1	-168.5	170.4	-121.7	-1.1	115.5
367	A	31.2	Very low	32.7	Very low	92 Å²	92	162.6 Å²	162.6	76%	0.76	81%	0.811	S	S	*	*			trans	68.7	118.8	141.5	0	0	0	0	0	121.6
368	K	35	Very low	32.8	Very low	211 Å²	211	157 Å²	157	92%	0.917	81%	0.808	S	S	*	*				-169.5	133.2	112.9	-101.4	170.8	-177.3	-176.5	0	112.2
369	E	27.9	Very low	32.7	Very low	183 Å²	183	153 Å²	153	86%	0.855	81%	0.806	S	S	*	*			trans	-95.2	-174.7	161.7	-56.2	-170.2	131	0	0	109
370	P	35.8	Very low	32.9	Very low	99 Å²	99	144.9 Å²	144.9	64%	0.643	80%	0.797	S	S	*	*			cis	-145.1	-178	5.1	47	-29.4	0	0	0	118.1
371	R	32.7	Very low	32.9	Very low	248 Å²	248	139.2 Å²	139.2	94%	0.936	79%	0.792	S	S	*	*			trans	67.5	137.9	160.2	-64	170.2	-173.6	-146.5	-2.1	118.1
372	G	32.7	Very low	32.9	Very low	72 Å²	72	138 Å²	138	74%	0.742	80%	0.803	S	S	*	*			trans	179.9	-9.9	171.9	0	0	0	0	0	125.8
373	V	33.7	Very low	32.7	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	80%	0.801	S	S	*	*			trans	59.1	118.2	160	-179.5	0	0	0	0	120.5
374	N	33.2	Very low	32.6	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	81%	0.807	S	S	*	*			trans	68.9	142.4	149.3	-61.2	2.7	0	0	0	124
375	G	32.4	Very low	32.1	Very low	57 Å²	57	140.7 Å²	140.7	59%	0.588	81%	0.811	S	S	*	*			trans	150.2	118.8	169.7	0	0	0	0	0	111
376	V	32.8	Very low	31.8	Very low	154 Å²	154	142.7 Å²	142.7	93%	0.933	81%	0.81	S	S	*	*			trans	-135.6	146.1	-165.7	175.4	0	0	0	0	112.8
377	G	32.2	Very low	31.7	Very low	74 Å²	74	137.2 Å²	137.2	76%	0.763	80%	0.803	S	S	*	*			trans	165.2	149.9	162.5	0	0	0	0	0	114.3
378	S	32.3	Very low	31.7	Very low	119 Å²	119	137.3 Å²	137.3	83%	0.832	80%	0.796	S	S	*	*				-156.5	126.1	-80.9	-174.7	0	0	0	0	110.5
379	S	30.9	Very low	31.6	Very low	124 Å²	124	134.6 Å²	134.6	87%	0.867	79%	0.791	S	S	*	*			trans	-173.8	115.7	162.9	56.6	0	0	0	0	110.2
380	G	31.9	Very low	32.1	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	78%	0.778	S	S	*	*			trans	-167.4	152.2	177.8	0	0	0	0	0	111.7
381	P	32.1	Very low	32.2	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	78%	0.782	S	S	*	*			trans	-78.4	144	-173.2	31.5	-35.2	0	0	0	113.1	E383	P381-E383 PolarHBondContact O-N 3.42Å
382	S	28.7	Very low	32.1	Very low	131 Å²	131	124.7 Å²	124.7	92%	0.916	78%	0.777	S	S	*	*			trans	-2	105.4	171.5	-159	0	0	0	0	117.2
383	E	29.3	Very low	32.1	Very low	192 Å²	192	130 Å²	130	90%	0.897	78%	0.783	S	S	*	*			trans	-96.2	130	177.6	-168.7	165	-135.3	0	0	111.1	P381	P381-E383 PolarHBondContact O-N 3.42Å
384	Y	30.3	Very low	32	Very low	201 Å²	201	131.7 Å²	131.7	79%	0.788	79%	0.787	S	S	*	*			trans	-77	126.1	-178.2	171.4	-97.3	0	0	0	111.2	E386	Y384-E386 HydrophobicContact CD1-CG 4.47Å; Y384-E386 PolarHBondContact O-N 3.42Å; Y384-E386 VanDerWaalsContact O-N 3.13Å
385	M	30.2	Very low	32.1	Very low	167 Å²	167	130.9 Å²	130.9	82%	0.823	79%	0.79	S	S	*	*			trans	-77.2	99.8	-178.1	-169.1	174.4	-171	0	0	111.6	V387	M385-V387 PolarHBondContact O-N 2.92Å
386	E	31.1	Very low	31.9	Very low	162 Å²	162	132.9 Å²	132.9	76%	0.757	80%	0.795	S	S	*	*			trans	-62.2	125.5	168.3	-65.7	-170.5	158.4	0	0	110.6	Y384 P388	Y384-E386 HydrophobicContact CD1-CG 4.47Å; Y384-E386 PolarHBondContact O-N 3.42Å; Y384-E386 VanDerWaalsContact O-N 3.13Å; E386-P388 WeakPolarHBondContact O-CD 3.26Å
387	V	29.3	Very low	31.9	Very low	124 Å²	124	133.9 Å²	133.9	75%	0.752	79%	0.789	S	S	*	*			trans	-89.2	113	168.1	179.5	0	0	0	0	108.5	M385 L389	M385-V387 PolarHBondContact O-N 2.92Å; V387-L389 PolarHBondContact O-N 3.08Å
388	P	31	Very low	31.9	Very low	94 Å²	94	133.1 Å²	133.1	61%	0.61	78%	0.782	S	S	*	*			trans	-70.2	125.2	-176.3	-19.8	33.9	0	0	0	111.8	E386 G390	E386-P388 WeakPolarHBondContact O-CD 3.26Å; P388-G390 PolarHBondContact O-N 3.34Å
389	L	32.9	Very low	31.9	Very low	154 Å²	154	133.7 Å²	133.7	81%	0.806	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	21.7	173.8	-68.8	170	0	0	0	114	V387	V387-L389 PolarHBondContact O-N 3.08Å
390	G	38.7	Very low	31.8	Very low	57 Å²	57	135 Å²	135	59%	0.588	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-13.5	174.4	0	0	0	0	0	114.1	P388 L392	P388-G390 PolarHBondContact O-N 3.34Å; G390-L392 PolarHBondContact O-N 3.32Å
391	S	38.5	Very low	31.5	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	78%	0.782	S	S	*	*	S	Bend	trans	-82.3	15.9	-174.3	-51.4	0	0	0	0	115
392	L	31	Very low	31.6	Very low	161 Å²	161	136.7 Å²	136.7	84%	0.843	78%	0.778	S	S	*	*			trans	-131.5	77.1	176.1	-74	175.1	0	0	0	109.7	G390 L394	G390-L392 PolarHBondContact O-N 3.32Å; L392-L394 PolarHBondContact O-N 2.92Å
393	E	31.3	Very low	31.8	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	77%	0.774	S	S	*	*			trans	-74.6	118.1	171.3	-64.8	-168.2	143.3	0	0	110.5
394	L	31.9	Very low	31.8	Very low	163 Å²	163	136.9 Å²	136.9	85%	0.853	77%	0.769	S	S	*	*			trans	-118.9	133.1	157	-75.9	175.4	0	0	0	108.2	L392	L392-L394 PolarHBondContact O-N 2.92Å
395	P	35.2	Very low	31.8	Very low	130 Å²	130	132 Å²	132	84%	0.844	77%	0.77	S	S	*	*			trans	-60.2	150.9	-172.2	-27.5	36.2	0	0	0	115.2
396	S	28.5	Very low	31.7	Very low	99 Å²	99	127 Å²	127	69%	0.692	76%	0.762	S	S	*	*			trans	-88.7	-172.3	178.5	68.6	0	0	0	0	113.3
397	E	32	Very low	31.8	Very low	175 Å²	175	124.2 Å²	124.2	82%	0.818	76%	0.756	S	S	*	*			trans	75.8	119.3	-176.2	-47.5	-50.3	106.6	0	0	115.2
398	G	32.2	Very low	32	Very low	59 Å²	59	121.8 Å²	121.8	61%	0.608	74%	0.744	S	S	*	*			cis	-176.2	177.2	-3.2	0	0	0	0	0	116.8
399	T	32.9	Very low	32	Very low	130 Å²	130	122.2 Å²	122.2	80%	0.798	74%	0.741	S	S	*	*			trans	59.7	109.2	161.1	50.3	0	0	0	0	122.1
400	L	28.7	Very low	31.9	Very low	152 Å²	152	121.1 Å²	121.1	80%	0.796	74%	0.736	S	S	*	*				72.8	89.3	125.7	-58.2	174.5	0	0	0	121.2
401	S	26.9	Very low	31.7	Very low	115 Å²	115	124 Å²	124	80%	0.804	74%	0.743	S	S	*	*				61.2	154.2	116.8	-70.5	0	0	0	0	122.2
402	P	33.1	Very low	31.4	Very low	116 Å²	116	124.5 Å²	124.5	75%	0.753	75%	0.746	S	S	*	*			trans	-99.4	162.5	-150.6	38.6	-37.1	0	0	0	115.2
403	N	32.2	Very low	31.4	Very low	155 Å²	155	121.7 Å²	121.7	83%	0.829	74%	0.74	S	S	*	*			trans	-154.9	166.4	148.4	-118	-30	0	0	0	114.6
404	H	30.4	Very low	31.3	Very low	172 Å²	172	120 Å²	120	80%	0.796	74%	0.736	S	S	*	*			trans	-51.7	136.1	-170.6	-80.9	-103.3	0	0	0	118.4
405	A	30.1	Very low	31.2	Very low	98 Å²	98	120 Å²	120	81%	0.81	73%	0.732	S	S	*	*				31.4	127.6	126.3	0	0	0	0	0	121.2
406	G	28.5	Very low	30.8	Very low	64 Å²	64	120.6 Å²	120.6	66%	0.66	73%	0.733	S	S	*	*			trans	147.3	109.5	146.3	0	0	0	0	0	116.5
407	V	31.8	Very low	30.8	Very low	103 Å²	103	122.9 Å²	122.9	62%	0.624	73%	0.733	S	S	*	*			trans	51	138.5	135.1	-63.1	0	0	0	0	122.5	P61	P61-V407 HydrophobicContact CB-CB 3.8Å; P61-V407 HydrophobicContact CB-CG1 4.01Å; P61-V407 HydrophobicContact CB-CG2 4.11Å; P61-V407 HydrophobicContact CG-CB 3.87Å; P61-V407 HydrophobicContact CG-CG2 3.89Å
408	S	33.9	Very low	30.6	Very low	73 Å²	73	122.8 Å²	122.8	51%	0.51	73%	0.725	S	S	.	*			cis	-170.1	-178.8	-38	16.8	0	0	0	0	110.9	E60	E60-S408 VanDerWaalsContact CD-OG 3.27Å; E60-S408 PolarHBondContact OE1-OG 2.65Å; E60-S408 WeakPolarHBondContact OE2-CB 3.34Å; E60-S408 PolarHBondContact OE2-OG 3.01Å
409	N	30.4	Very low	30.4	Very low	102 Å²	102	123.3 Å²	123.3	55%	0.545	73%	0.73	S	S	.	*			trans	91.3	146.4	148.9	-109.7	41.1	0	0	0	123.3	E60	E60-N409 HydrophobicContact CG-CB 3.69Å
410	D	31.7	Very low	30.4	Very low	132 Å²	132	126.8 Å²	126.8	71%	0.706	74%	0.735	S	S	*	*			trans	62.5	120.5	156.7	-60.3	-40.2	0	0	0	118.2
411	T	34.5	Very low	30.8	Very low	118 Å²	118	124.7 Å²	124.7	72%	0.724	72%	0.721	S	S	*	*			cis	-153.6	147.6	21.6	50	0	0	0	0	114.5
412	S	33.2	Very low	31.5	Very low	114 Å²	114	126 Å²	126	80%	0.797	72%	0.715	S	S	*	*			trans	61.2	154.3	148.9	65.6	0	0	0	0	121.1
413	S	30.1	Very low	32.4	Very low	102 Å²	102	123.5 Å²	123.5	71%	0.713	69%	0.694	S	S	*	*			cis	-169.2	141.1	-30.1	-172.3	0	0	0	0	110.2
414	L	29.8	Very low	33.4	Very low	147 Å²	147	117 Å²	117	77%	0.77	66%	0.66	S	S	*	*			trans	71.7	151.8	161.6	-115.2	67.7	0	0	0	120.9
415	E	29.2	Very low	35	Very low	164 Å²	164	110.9 Å²	110.9	77%	0.766	63%	0.633	S	S	*	*			trans	74.7	67.5	156.5	-67.2	175.1	-163.4	0	0	120.4
416	T	27.1	Very low	37.4	Very low	143 Å²	143	107.9 Å²	107.9	88%	0.877	61%	0.606	S	S	*	*				52.6	88	120	-44	0	0	0	0	119
417	E	28.3	Very low	40	Very low	147 Å²	147	105.4 Å²	105.4	69%	0.687	58%	0.579	S	S	*	*			trans	-140.3	154.1	165.3	-106.5	-159.2	177.8	0	0	113.8
418	R	28.1	Very low	42.3	Very low	172 Å²	172	100.5 Å²	100.5	65%	0.649	55%	0.549	S	S	*	.			trans	66	75.5	160.4	-63.3	166.7	-154.5	-84.9	-21.5	118.4
419	G	27.6	Very low	44.5	Very low	70 Å²	70	104.6 Å²	104.6	72%	0.722	55%	0.553	S	S	*	*			trans	-104.9	76.2	150	0	0	0	0	0	111.8	E421	G419-E421 PolarHBondContact O-N 3.39Å
420	F	32.6	Very low	46.6	Very low	203 Å²	203	105.4 Å²	105.4	89%	0.89	56%	0.555	S	S	*	*			trans	-79.5	97.2	163.8	-96.1	-90.6	0	0	0	107.7	E422	F420-E422 PolarHBondContact O-N 3.38Å
421	E	36.5	Very low	48.9	Very low	108 Å²	108	102.9 Å²	102.9	51%	0.505	54%	0.539	S	S	.	.			trans	-79.3	79	-171	-66.9	-172.8	121.1	0	0	112.3	G419 L423 L527	G419-E421 PolarHBondContact O-N 3.39Å; E421-L423 PolarHBondContact O-N 2.85Å; E421-L527 HydrophobicContact CB-CD1 3.93Å; E421-L527 HydrophobicContact CB-CD2 3.91Å; E421-L527 HydrophobicContact CB-CG 4.36Å; E421-L527 HydrophobicContact CG-CD1 4.09Å; E421-L527 HydrophobicContact CG-CD2 4.38Å; E421-L527 HydrophobicContact CG-CG 4.46Å; E421-L527 VanDerWaalsContact OE1-CD1 3.32Å; E421-L527 WeakPolarHBondContact OE1-CD1 3.39Å; E421-L527 WeakPolarHBondContact OE1-CG 3.12Å; E421-L527 VanDerWaalsContact OE2-CD2 3.28Å; E421-L527 WeakPolarHBondContact OE2-CD2 3.39Å; E421-L527 WeakPolarHBondContact OE2-CG 3.49Å
422	E	42.9	Very low	51	Low	144 Å²	144	98.4 Å²	98.4	67%	0.673	51%	0.514	S	S	*	.			trans	-70	92.8	178.8	-169.2	-176.6	-125.8	0	0	112.3	F420	F420-E422 PolarHBondContact O-N 3.38Å
423	L	51.1	Low	53.2	Low	62 Å²	62	97.2 Å²	97.2	33%	0.325	50%	0.504	S	S	.	.			trans	-98.3	149.5	169.6	-72.6	177.2	0	0	0	110.7	E421 L527 F532	E421-L423 PolarHBondContact O-N 2.85Å; L423-L527 HydrophobicContact CD1-CB 4.35Å; L423-L527 HydrophobicContact CD1-CD1 4.07Å; L423-L527 HydrophobicContact CD1-CD2 3.79Å; L423-L527 HydrophobicContact CD1-CG 4.3Å; L423-L527 HydrophobicContact CD2-CD1 4.4Å; L423-L527 HydrophobicContact CG-CD1 4.26Å; L423-F532 HydrophobicContact CD1-CD2 4.06Å; L423-F532 HydrophobicContact CD1-CE2 4.43Å; L423-F532 HydrophobicContact CD1-CG 4.13Å
424	P	52.7	Low	55.4	Low	18 Å²	18	96.5 Å²	96.5	12%	0.117	49%	0.488	C	S	.	.				-122.6	116.5	-68.5	31.6	-16.1	0	0	0	110.7	C426 C533 G537	P424-C426 VanDerWaalsContact C-N 3.26Å; P424-C426 PolarHBondContact O-N 3.27Å; P424-C533 WeakPolarHBondContact CG-O 3.28Å; P424-G537 VanDerWaalsContact CG-CA 3.41Å
425	L	64.3	Low	57.8	Low	44 Å²	44	92.8 Å²	92.8	23%	0.23	47%	0.468	C	S	.	.				69.6	-3	87.3	-65.7	168.3	0	0	0	117.6	S472 S473	L425-S472 WeakPolarHBondContact O-CA 3.47Å; L425-S472 WeakPolarHBondContact O-CB 3.42Å; L425-S473 VanDerWaalsContact CD2-OG 3.31Å; L425-S473 WeakPolarHBondContact CD2-OG 3.41Å
426	C	80.8	Confident	60	Low	35 Å²	35	88.7 Å²	88.7	24%	0.236	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-68.9	138.8	173.5	-171.6	0	0	0	0	112.8	P424 P471 H535	P424-C426 VanDerWaalsContact C-N 3.26Å; P424-C426 PolarHBondContact O-N 3.27Å; C426-P471 CarbonylContact C-O 3.58Å; C426-P471 WeakPolarHBondContact CA-O 3.45Å; C426-H535 WeakPolarHBondContact CB-O 3.36Å
427	S	83.6	Confident	62.5	Low	12 Å²	12	92 Å²	92	8%	0.084	45%	0.448	C	S	.	.			trans	-130.2	4.4	178.4	-65.8	0	0	0	0	113.5	R429 M430 R470 P471	S427-R429 PolarHBondContact O-N 2.78Å; S427-M430 PolarHBondContact O-N 2.82Å; S427-M430 WeakPolarHBondContact OG-CE 3.2Å; S427-R470 CarbonylContact C-O 3.51Å; S427-R470 WeakPolarHBondContact CB-O 3.42Å; S427-P471 PolarHBondContact N-O 3.48Å
428	C	80.6	Confident	64.9	Low	0 Å²	0	86.6 Å²	86.6	0%	0	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.3	-171.1	-71	0	0	0	0	116.3	M469 M488 H491	C428-M469 WeakPolarHBondContact O-CE 3.02Å; C428-M488 HydrophobicContact CB-CG 4.38Å; C428-M488 WeakPolarHBondContact CB-O 3.48Å; C428-M488 HydrophobicContact CB-SD 4.26Å; C428-M488 WeakPolarHBondContact O-CG 3.31Å; C428-H491 VanDerWaalsContact CB-ND1 3.34Å; C428-H491 WeakPolarHBondContact CB-ND1 3.32Å
429	R	78.5	Confident	67.1	Low	160 Å²	160	78.8 Å²	78.8	60%	0.604	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.6	178.8	-65.3	-173.9	-179.1	172.9	3.9	114.6	S427 H491	S427-R429 PolarHBondContact O-N 2.78Å; R429-H491 PolarHBondContact NE-NE2 3.05Å; R429-H491 PolarHBondContact NH2-NE2 3.3Å
430	M	75.9	Confident	69.3	Low	118 Å²	118	82.3 Å²	82.3	58%	0.581	39%	0.393	S	S	*	.			trans	-89.9	115.1	-177.9	-67.8	-174.2	-82.2	0	0	111.7	S427	S427-M430 PolarHBondContact O-N 2.82Å; S427-M430 WeakPolarHBondContact OG-CE 3.2Å
431	E	79.8	Confident	71.5	Confident	80 Å²	80	83.3 Å²	83.3	37%	0.374	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119	159.8	-67.1	-160.9	148.1	0	0	108.7	K465 M469 R485	E431-K465 IonicContact OE1-NZ 2.8Å; E431-K465 PolarHBondContact OE1-NZ 2.97Å; E431-K465 VanDerWaalsContact OE1-NZ 3.08Å; E431-K465 IonicContact OE2-NZ 2.94Å; E431-K465 PolarHBondContact OE2-NZ 3.2Å; E431-M469 HydrophobicContact CG-CE 4.08Å; E431-M469 HydrophobicContact CG-CG 4.1Å; E431-M469 HydrophobicContact CG-SD 4.14Å; E431-R485 IonicContact OE1-CZ 3.07Å; E431-R485 IonicContact OE1-NH1 2.98Å; E431-R485 PolarHBondContact OE1-NH1 2.74Å
432	A	78.4	Confident	73.3	Confident	23 Å²	23	78.8 Å²	78.8	19%	0.19	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	152.7	177.7	0	0	0	0	0	111	T468 L477	A432-T468 WeakPolarHBondContact CB-OG1 3.09Å; A432-T468 PolarHBondContact N-O 2.52Å; A432-T468 PolarHBondContact O-N 2.64Å; A432-T468 PolarHBondContact O-OG1 2.85Å; A432-L477 HydrophobicContact CB-CD1 4.48Å; A432-L477 HydrophobicContact CB-CD2 3.84Å
433	P	78.3	Confident	75.1	Confident	90 Å²	90	74.5 Å²	74.5	58%	0.584	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-50.7	154.9	-177.6	-30.5	36.3	0	0	0	115	I435 T468	P433-I435 PolarHBondContact O-N 3.25Å; P433-T468 PolarHBondContact O-OG1 3.28Å; P433-T468 VanDerWaalsContact O-OG1 3.07Å
434	K	78	Confident	76.6	Confident	86 Å²	86	76.6 Å²	76.6	37%	0.374	37%	0.374	S	S	.	.			trans	-67.2	103.6	179.6	175.5	-175.3	144.4	-73.2	0	111.3	D436 R466	K434-D436 WeakPolarHBondContact CE-OD1 3.38Å; K434-D436 IonicContact NZ-OD1 3.26Å; K434-D436 PolarHBondContact NZ-OD1 2.58Å; K434-D436 IonicContact NZ-OD2 2.71Å; K434-D436 PolarHBondContact NZ-OD2 3.31Å; K434-R466 HydrophobicContact CD-CB 4.06Å; K434-R466 HydrophobicContact CG-CB 4.26Å
435	I	78.8	Confident	78.4	Confident	69 Å²	69	80.5 Å²	80.5	35%	0.354	39%	0.389	S	S	.	.			trans	-89.2	106.7	171.5	-54.6	179.1	0	0	0	109.4	P433 R437 I438 S439 L477	P433-I435 PolarHBondContact O-N 3.25Å; I435-R437 VanDerWaalsContact C-N 3.35Å; I435-R437 HydrophobicContact CG2-CB 4.49Å; I435-R437 PolarHBondContact O-N 3.44Å; I435-I438 HydrophobicContact CB-CD1 3.96Å; I435-I438 HydrophobicContact CB-CG1 4.04Å; I435-I438 HydrophobicContact CD1-CD1 3.97Å; I435-I438 HydrophobicContact CG1-CD1 4.5Å; I435-I438 HydrophobicContact CG2-CD1 4.06Å; I435-I438 HydrophobicContact CG2-CG1 3.85Å; I435-I438 PolarHBondContact O-N 3.35Å; I435-S439 PolarHBondContact O-N 2.97Å; I435-L477 HydrophobicContact CD1-CD1 3.58Å
436	D	75.7	Confident	79.8	Confident	79 Å²	79	78.8 Å²	78.8	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-56.8	-43	-174.5	-81.6	-61.7	0	0	0	113.5	K434 I438 S439 E440	K434-D436 WeakPolarHBondContact CE-OD1 3.38Å; K434-D436 IonicContact NZ-OD1 3.26Å; K434-D436 PolarHBondContact NZ-OD1 2.58Å; K434-D436 IonicContact NZ-OD2 2.71Å; K434-D436 PolarHBondContact NZ-OD2 3.31Å; D436-I438 PolarHBondContact O-N 2.88Å; D436-S439 PolarHBondContact O-N 2.85Å; D436-E440 WeakPolarHBondContact O-CG 3.33Å; D436-E440 PolarHBondContact O-N 3.14Å
437	R	80.3	Confident	80.3	Confident	212 Å²	212	80.5 Å²	80.5	80%	0.8	39%	0.386	S	S	*	.	H	α-helix	trans	-54.5	-28.8	177	-65.4	-177.4	-179	172	2	113.5	I435 R441	I435-R437 VanDerWaalsContact C-N 3.35Å; I435-R437 HydrophobicContact CG2-CB 4.49Å; I435-R437 PolarHBondContact O-N 3.44Å; R437-R441 WeakPolarHBondContact O-CB 3.39Å; R437-R441 PolarHBondContact O-N 2.83Å
438	I	77.7	Confident	80.7	Confident	33 Å²	33	80 Å²	80	17%	0.169	38%	0.382	C	S	.	.	H	α-helix	trans	-83.6	-43.9	177.9	-52.7	-177.7	0	0	0	110.1	I435 D436 E440 R441 A442 M447 T468 L477 V479	I435-I438 HydrophobicContact CB-CD1 3.96Å; I435-I438 HydrophobicContact CB-CG1 4.04Å; I435-I438 HydrophobicContact CD1-CD1 3.97Å; I435-I438 HydrophobicContact CG1-CD1 4.5Å; I435-I438 HydrophobicContact CG2-CD1 4.06Å; I435-I438 HydrophobicContact CG2-CG1 3.85Å; I435-I438 PolarHBondContact O-N 3.35Å; D436-I438 PolarHBondContact O-N 2.88Å; I438-E440 VanDerWaalsContact C-N 3.32Å; I438-E440 PolarHBondContact O-N 2.79Å; I438-R441 PolarHBondContact O-N 2.84Å; I438-A442 WeakPolarHBondContact O-CB 3.14Å; I438-A442 PolarHBondContact O-N 2.87Å; I438-M447 HydrophobicContact CG2-CE 4.04Å; I438-M447 HydrophobicContact CG2-SD 3.67Å; I438-T468 HydrophobicContact CD1-CG2 4.36Å; I438-L477 HydrophobicContact CD1-CB 3.84Å; I438-V479 HydrophobicContact CG2-CG2 3.98Å
439	S	74.1	Confident	81.3	Confident	8 Å²	8	82 Å²	82	6%	0.056	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-39.6	174	-84.2	0	0	0	0	113.2	I435 D436 G443	I435-S439 PolarHBondContact O-N 2.97Å; D436-S439 PolarHBondContact O-N 2.85Å; S439-G443 PolarHBondContact O-N 2.96Å
440	E	75.2	Confident	82	Confident	145 Å²	145	76.1 Å²	76.1	68%	0.678	37%	0.374	S	S	*	.	H	α-helix	trans	-65.7	-48.5	175.4	-71.3	174.7	162.2	0	0	111.2	D436 I438 A442 G443	D436-E440 WeakPolarHBondContact O-CG 3.33Å; D436-E440 PolarHBondContact O-N 3.14Å; I438-E440 VanDerWaalsContact C-N 3.32Å; I438-E440 PolarHBondContact O-N 2.79Å; E440-A442 PolarHBondContact O-N 3.36Å; E440-G443 PolarHBondContact O-N 2.87Å; E440-G443 VanDerWaalsContact O-N 3.09Å
441	R	78.8	Confident	82.6	Confident	224 Å²	224	70.7 Å²	70.7	85%	0.845	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-30.7	177.7	-162	-179.7	-154.2	-169.2	6.9	112.8	R437 I438	R437-R441 WeakPolarHBondContact O-CB 3.39Å; R437-R441 PolarHBondContact O-N 2.83Å; I438-R441 PolarHBondContact O-N 2.84Å
442	A	73.6	Confident	82.9	Confident	12 Å²	12	67.7 Å²	67.7	10%	0.099	34%	0.335	C	S	.	.	H	α-helix	trans	-75.5	-18	176.9	0	0	0	0	0	114	I438 E440 H444 K445 M447	I438-A442 WeakPolarHBondContact O-CB 3.14Å; I438-A442 PolarHBondContact O-N 2.87Å; E440-A442 PolarHBondContact O-N 3.36Å; A442-H444 VanDerWaalsContact C-N 3.26Å; A442-H444 PolarHBondContact O-N 3.29Å; A442-K445 WeakPolarHBondContact O-CB 3.35Å; A442-K445 PolarHBondContact O-N 2.99Å; A442-M447 HydrophobicContact CB-CG 3.86Å; A442-M447 HydrophobicContact CB-SD 3.81Å
443	G	81.2	Confident	82.9	Confident	54 Å²	54	71 Å²	71	56%	0.557	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.3	176.9	0	0	0	0	0	114.5	S439 E440 K445	S439-G443 PolarHBondContact O-N 2.96Å; E440-G443 PolarHBondContact O-N 2.87Å; E440-G443 VanDerWaalsContact O-N 3.09Å; G443-K445 VanDerWaalsContact C-N 3.27Å; G443-K445 PolarHBondContact O-N 3.44Å
444	H	82	Confident	82.8	Confident	106 Å²	106	69.6 Å²	69.6	49%	0.491	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	20.3	-172	-58	-61.5	0	0	0	116.4	A442 A462 I463	A442-H444 VanDerWaalsContact C-N 3.26Å; A442-H444 PolarHBondContact O-N 3.29Å; H444-A462 WeakPolarHBondContact O-CA 3.38Å; H444-I463 HydrophobicContact CB-CG1 4.46Å; H444-I463 PolarHBondContact O-N 3.15Å; H444-I463 VanDerWaalsContact O-N 3.14Å
445	K	90.4	Very high	83.1	Confident	101 Å²	101	71.2 Å²	71.2	44%	0.439	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-105.3	157.5	171.7	-63.1	-178.8	173.7	-171.5	0	112.2	A442 G443 N460 A461	A442-K445 WeakPolarHBondContact O-CB 3.35Å; A442-K445 PolarHBondContact O-N 2.99Å; G443-K445 VanDerWaalsContact C-N 3.27Å; G443-K445 PolarHBondContact O-N 3.44Å; K445-N460 PolarHBondContact NZ-OD1 2.97Å; K445-A461 CarbonylContact C-O 3.6Å; K445-A461 WeakPolarHBondContact CA-O 3.5Å
446	C	93.5	Very high	83.6	Confident	7 Å²	7	72.2 Å²	72.2	5%	0.047	37%	0.366	C	S	.	.			trans	-62.5	141.8	168.4	-169	0	0	0	0	110.6	A448 C459 A461 C481 H484	C446-A448 VanDerWaalsContact SG-CB 3.52Å; C446-A448 PolarHBondContact SG-N 3.39Å; C446-C459 HydrophobicContact CB-CB 3.91Å; C446-C459 VanDerWaalsContact O-O 3.12Å; C446-A461 PolarHBondContact N-O 2.95Å; C446-C481 HydrophobicContact CB-CB 4.01Å; C446-C481 PolarHBondContact SG-N 2.72Å; C446-C481 VanDerWaalsContact SG-N 3.41Å; C446-H484 PolarHBondContact SG-CE1 3.33Å
447	M	92.6	Very high	84.2	Confident	71 Å²	71	71.4 Å²	71.4	35%	0.35	37%	0.366	S	S	.	.			trans	-100.3	5.7	176.1	-68.8	176.1	64.5	0	0	113.5	I438 A442 M478 V479	I438-M447 HydrophobicContact CG2-CE 4.04Å; I438-M447 HydrophobicContact CG2-SD 3.67Å; A442-M447 HydrophobicContact CB-CG 3.86Å; A442-M447 HydrophobicContact CB-SD 3.81Å; M447-M478 HydrophobicContact CB-CB 3.92Å; M447-M478 HydrophobicContact CE-CB 4.32Å; M447-M478 HydrophobicContact SD-CB 4.43Å; M447-V479 PolarHBondContact N-O 2.98Å; M447-V479 HydrophobicContact SD-CB 4.45Å; M447-V479 HydrophobicContact SD-CG2 4.39Å
448	A	92.2	Very high	84.7	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.008	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-67	136.2	-179.8	0	0	0	0	0	112.7	C446 C459 L480 H484 F500	C446-A448 VanDerWaalsContact SG-CB 3.52Å; C446-A448 PolarHBondContact SG-N 3.39Å; A448-C459 HydrophobicContact CB-CB 4.08Å; A448-C459 WeakPolarHBondContact O-CB 3.38Å; A448-C459 PolarHBondContact O-N 3.2Å; A448-L480 HydrophobicContact CB-CD2 3.91Å; A448-H484 HydrophobicContact CB-CB 4.07Å; A448-H484 WeakPolarHBondContact CB-CD2 3.14Å; A448-H484 VanDerWaalsContact CB-CG 3.44Å; A448-F500 HydrophobicContact CB-CD2 3.7Å; A448-F500 HydrophobicContact CB-CE2 3.4Å; A448-F500 HydrophobicContact CB-CZ 4.25Å
449	T	92.7	Very high	85.4	Confident	44 Å²	44	63.3 Å²	63.3	27%	0.27	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	163.2	-58.8	0	0	0	0	108.7	L456 S457 Y499 F500	T449-L456 HydrophobicContact CG2-CB 3.91Å; T449-L456 HydrophobicContact CG2-CD2 4.12Å; T449-L456 HydrophobicContact CG2-CG 4.44Å; T449-S457 CarbonylContact C-O 3.58Å; T449-S457 WeakPolarHBondContact CA-O 3.31Å; T449-Y499 HydrophobicContact CG2-CD1 3.83Å; T449-Y499 HydrophobicContact CG2-CE1 4.07Å; T449-Y499 HydrophobicContact CG2-CG 4.49Å; T449-F500 PolarHBondContact O-N 3.42Å
450	E	92.9	Very high	86	Confident	36 Å²	36	68.1 Å²	68.1	17%	0.168	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.1	170.4	-61.8	-162.9	-154.3	0	0	109.4	S457 H484 R487 F500 T502	E450-S457 PolarHBondContact N-O 3.45Å; E450-S457 PolarHBondContact O-N 2.92Å; E450-H484 IonicContact OE1-NE2 2.8Å; E450-H484 PolarHBondContact OE1-NE2 3.17Å; E450-R487 IonicContact OE1-CZ 3.95Å; E450-R487 IonicContact OE1-NH1 2.77Å; E450-R487 PolarHBondContact OE1-NH1 3.14Å; E450-R487 IonicContact OE2-CZ 3.19Å; E450-R487 IonicContact OE2-NH1 3.87Å; E450-R487 PolarHBondContact OE2-NH1 3.29Å; E450-R487 VanDerWaalsContact OE2-NH1 3.16Å; E450-R487 IonicContact OE2-NH2 2.77Å; E450-F500 HydrophobicContact CG-CB 4.49Å; E450-T502 HydrophobicContact CB-CG2 4.14Å; E450-T502 HydrophobicContact CG-CG2 3.83Å; E450-T502 WeakPolarHBondContact OE2-CB 3.47Å; E450-T502 VanDerWaalsContact OE2-CG2 3.25Å; E450-T502 WeakPolarHBondContact OE2-CG2 3.49Å; E450-T502 PolarHBondContact OE2-OG1 3.45Å
451	S	89.6	Confident	86.8	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.021	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.9	171.7	-179.2	0	0	0	0	109.1	E455 F500 H520	S451-E455 CarbonylContact C-O 3.46Å; S451-E455 WeakPolarHBondContact CA-O 3.2Å; S451-F500 PolarHBondContact N-O 3.33Å; S451-H520 VanDerWaalsContact CB-NE2 3.31Å; S451-H520 WeakPolarHBondContact CB-NE2 3.41Å; S451-H520 PolarHBondContact OG-NE2 3.26Å
452	V	85.9	Confident	87.3	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.103	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	110.9	-179	-170.7	0	0	0	0	109.9	G454 E455 A503 R550	V452-G454 PolarHBondContact O-N 2.97Å; V452-E455 PolarHBondContact N-O 3.39Å; V452-E455 WeakPolarHBondContact O-CA 3.33Å; V452-E455 VanDerWaalsContact O-CB 3.3Å; V452-E455 WeakPolarHBondContact O-CB 3.44Å; V452-E455 PolarHBondContact O-N 3.49Å; V452-A503 WeakPolarHBondContact CA-O 3.45Å; V452-A503 HydrophobicContact CG1-CB 3.73Å; V452-A503 HydrophobicContact CG2-CB 4.32Å; V452-R550 HydrophobicContact CG1-CG 3.86Å; V452-R550 VanDerWaalsContact CG1-CZ 3.41Å; V452-R550 VanDerWaalsContact CG1-NE 3.25Å
453	D	77.5	Confident	88	Confident	94 Å²	94	56.4 Å²	56.4	50%	0.503	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	25.7	-176	-50.8	-58.6	0	0	0	114.2	G504 R550	D453-G504 WeakPolarHBondContact OD1-CA 3.05Å; D453-R550 IonicContact OD2-CZ 3.32Å; D453-R550 IonicContact OD2-NE 2.68Å; D453-R550 PolarHBondContact OD2-NE 3.35Å; D453-R550 IonicContact OD2-NH2 3.22Å; D453-R550 PolarHBondContact OD2-NH2 2.87Å
454	G	75.7	Confident	88.2	Confident	60 Å²	60	60 Å²	60	62%	0.619	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-16.5	-173.5	0	0	0	0	0	115	V452	V452-G454 PolarHBondContact O-N 2.97Å
455	E	84.1	Confident	88.3	Confident	119 Å²	119	59.6 Å²	59.6	56%	0.556	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	145.8	168.5	-53.5	-176.1	114.2	0	0	110.2	S451 V452 R550	S451-E455 CarbonylContact C-O 3.46Å; S451-E455 WeakPolarHBondContact CA-O 3.2Å; V452-E455 PolarHBondContact N-O 3.39Å; V452-E455 WeakPolarHBondContact O-CA 3.33Å; V452-E455 VanDerWaalsContact O-CB 3.3Å; V452-E455 WeakPolarHBondContact O-CB 3.44Å; V452-E455 PolarHBondContact O-N 3.49Å; E455-R550 IonicContact OE2-CZ 2.76Å; E455-R550 IonicContact OE2-NH1 3.45Å; E455-R550 PolarHBondContact OE2-NH1 3.28Å; E455-R550 IonicContact OE2-NH2 3.97Å; E455-R550 PolarHBondContact OE2-NH2 2.95Å
456	L	89.1	Confident	88	Confident	91 Å²	91	60 Å²	60	48%	0.476	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.8	179.7	-61.9	-179.7	0	0	0	110.7	T449 Y499	T449-L456 HydrophobicContact CG2-CB 3.91Å; T449-L456 HydrophobicContact CG2-CD2 4.12Å; T449-L456 HydrophobicContact CG2-CG 4.44Å; L456-Y499 HydrophobicContact CD1-CD2 4.44Å; L456-Y499 HydrophobicContact CD1-CE1 4.35Å; L456-Y499 HydrophobicContact CD1-CE2 3.72Å; L456-Y499 HydrophobicContact CD2-CD1 4.46Å; L456-Y499 HydrophobicContact CD2-CD2 3.59Å; L456-Y499 HydrophobicContact CD2-CE2 3.74Å; L456-Y499 HydrophobicContact CD2-CG 3.99Å; L456-Y499 HydrophobicContact CG-CE2 4.41Å
457	S	90	Very high	87.7	Confident	62 Å²	62	62.8 Å²	62.8	43%	0.434	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.4	-180	66.2	0	0	0	0	112.3	T449 E450	T449-S457 CarbonylContact C-O 3.58Å; T449-S457 WeakPolarHBondContact CA-O 3.31Å; E450-S457 PolarHBondContact N-O 3.45Å; E450-S457 PolarHBondContact O-N 2.92Å
458	G	90.3	Very high	87.6	Confident	52 Å²	52	59.4 Å²	59.4	54%	0.536	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.2	-178.6	0	0	0	0	0	112.6	N460	G458-N460 PolarHBondContact O-ND2 3.3Å; G458-N460 VanDerWaalsContact O-ND2 3.15Å
459	C	91.4	Very high	87.5	Confident	23 Å²	23	59.4 Å²	59.4	16%	0.155	35%	0.348	C	S	.	.			trans	-63.2	138.9	174.5	-168.9	0	0	0	0	110.9	C446 A448 H484	C446-C459 HydrophobicContact CB-CB 3.91Å; C446-C459 VanDerWaalsContact O-O 3.12Å; A448-C459 HydrophobicContact CB-CB 4.08Å; A448-C459 WeakPolarHBondContact O-CB 3.38Å; A448-C459 PolarHBondContact O-N 3.2Å; C459-H484 WeakPolarHBondContact CB-NE2 3.5Å; C459-H484 PolarHBondContact SG-CE1 3.43Å; C459-H484 PolarHBondContact SG-NE2 2.97Å
460	N	88.4	Confident	87.5	Confident	108 Å²	108	61.6 Å²	61.6	58%	0.578	35%	0.352	S	S	*	.			trans	-120.7	11.3	177.7	-88.7	-95	0	0	0	113.1	K445 G458	K445-N460 PolarHBondContact NZ-OD1 2.97Å; G458-N460 PolarHBondContact O-ND2 3.3Å; G458-N460 VanDerWaalsContact O-ND2 3.15Å
461	A	91.4	Very high	87.3	Confident	43 Å²	43	59.9 Å²	59.9	36%	0.355	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-66	150.6	177.4	0	0	0	0	0	111.8	K445 C446 C481	K445-A461 CarbonylContact C-O 3.6Å; K445-A461 WeakPolarHBondContact CA-O 3.5Å; C446-A461 PolarHBondContact N-O 2.95Å; A461-C481 HydrophobicContact CB-CB 4.03Å
462	A	89.8	Confident	87.2	Confident	77 Å²	77	59.8 Å²	59.8	64%	0.636	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-70.2	148.2	175.8	0	0	0	0	0	111.7	H444 C481	H444-A462 WeakPolarHBondContact O-CA 3.38Å; A462-C481 WeakPolarHBondContact O-CB 3.45Å
463	I	88.5	Confident	87.2	Confident	16 Å²	16	61.7 Å²	61.7	8%	0.082	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-94.3	144.6	172.3	63.5	174.5	0	0	0	111.1	H444 V479	H444-I463 HydrophobicContact CB-CG1 4.46Å; H444-I463 PolarHBondContact O-N 3.15Å; H444-I463 VanDerWaalsContact O-N 3.14Å; I463-V479 HydrophobicContact CB-CG1 4.45Å; I463-V479 HydrophobicContact CD1-CB 4.33Å; I463-V479 HydrophobicContact CD1-CG1 3.48Å; I463-V479 VanDerWaalsContact CD1-CG1 3.48Å; I463-V479 HydrophobicContact CG2-CG1 4.22Å
464	L	85	Confident	87.4	Confident	130 Å²	130	66.1 Å²	66.1	68%	0.681	37%	0.367	S	S	*	.	S	Bend	trans	-108.3	-54	172.6	-71.9	166.6	0	0	0	110.1	E482	L464-E482 HydrophobicContact CD1-CG 4.47Å; L464-E482 VanDerWaalsContact CD1-OE1 3.27Å; L464-E482 WeakPolarHBondContact CD1-OE1 3.44Å
465	K	83.2	Confident	87.9	Confident	96 Å²	96	64.2 Å²	64.2	42%	0.417	34%	0.343	S	S	.	.			trans	-73.2	141.5	166.6	-90.2	-161.5	171.6	-165.2	0	112.6	E431 E467 R485	E431-K465 IonicContact OE1-NZ 2.8Å; E431-K465 PolarHBondContact OE1-NZ 2.97Å; E431-K465 VanDerWaalsContact OE1-NZ 3.08Å; E431-K465 IonicContact OE2-NZ 2.94Å; E431-K465 PolarHBondContact OE2-NZ 3.2Å; K465-E467 WeakPolarHBondContact CA-OE2 3.28Å; K465-E467 WeakPolarHBondContact CB-OE2 3.15Å; K465-E467 VanDerWaalsContact CG-OE2 3.26Å; K465-E467 WeakPolarHBondContact CG-OE2 3.42Å; K465-R485 VanDerWaalsContact CB-CZ 3.41Å; K465-R485 PolarHBondContact O-NH2 3.04Å
466	R	83.6	Confident	88.1	Confident	111 Å²	111	62.3 Å²	62.3	42%	0.419	35%	0.348	S	S	.	.			trans	-112.9	-4	-175.9	-64.6	-169.4	-174	-163.3	3.8	114.8	K434	K434-R466 HydrophobicContact CD-CB 4.06Å; K434-R466 HydrophobicContact CG-CB 4.26Å
467	E	87.5	Confident	88.1	Confident	64 Å²	64	59.9 Å²	59.9	30%	0.299	34%	0.335	S	S	.	.			trans	-64.3	151.5	176.3	-55.3	63.1	-126.1	0	0	108.1	K465 R485	K465-E467 WeakPolarHBondContact CA-OE2 3.28Å; K465-E467 WeakPolarHBondContact CB-OE2 3.15Å; K465-E467 VanDerWaalsContact CG-OE2 3.26Å; K465-E467 WeakPolarHBondContact CG-OE2 3.42Å; E467-R485 PolarHBondContact O-NH1 2.98Å; E467-R485 PolarHBondContact O-NH2 3.13Å
468	T	90.6	Very high	88.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	156.2	-177.5	55.5	0	0	0	0	111.3	A432 P433 I438 L477 V479	A432-T468 WeakPolarHBondContact CB-OG1 3.09Å; A432-T468 PolarHBondContact N-O 2.52Å; A432-T468 PolarHBondContact O-N 2.64Å; A432-T468 PolarHBondContact O-OG1 2.85Å; P433-T468 PolarHBondContact O-OG1 3.28Å; P433-T468 VanDerWaalsContact O-OG1 3.07Å; I438-T468 HydrophobicContact CD1-CG2 4.36Å; T468-L477 HydrophobicContact CG2-CB 4.49Å; T468-V479 HydrophobicContact CG2-CG2 3.98Å
469	M	91.1	Very high	88.1	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.9	173.2	-61.6	-173.4	83.4	0	0	109.8	C428 E431 M478 L480 R485 M488 V489	C428-M469 WeakPolarHBondContact O-CE 3.02Å; E431-M469 HydrophobicContact CG-CE 4.08Å; E431-M469 HydrophobicContact CG-CG 4.1Å; E431-M469 HydrophobicContact CG-SD 4.14Å; M469-M478 PolarHBondContact N-O 3.03Å; M469-M478 VanDerWaalsContact O-CG 3.3Å; M469-M478 WeakPolarHBondContact O-CG 3.05Å; M469-M478 PolarHBondContact O-N 2.93Å; M469-L480 HydrophobicContact CB-CD1 4.08Å; M469-L480 HydrophobicContact CG-CD1 4.48Å; M469-L480 HydrophobicContact SD-CD1 4.07Å; M469-R485 HydrophobicContact SD-CB 4.3Å; M469-R485 HydrophobicContact SD-CG 3.94Å; M469-M488 HydrophobicContact CE-CB 4.25Å; M469-M488 HydrophobicContact CE-CG 3.8Å; M469-M488 HydrophobicContact SD-CB 4.44Å; M469-M488 HydrophobicContact SD-CG 4.29Å; M469-V489 HydrophobicContact CE-CG2 4.1Å
470	R	92	Very high	88.2	Confident	90 Å²	90	54.3 Å²	54.3	34%	0.34	29%	0.286	S	S	.	.			trans	-148.6	147.6	168.1	63	-174.2	-175	171.9	-3.6	110	S427 S472 S473 V475 L477	S427-R470 CarbonylContact C-O 3.51Å; S427-R470 WeakPolarHBondContact CB-O 3.42Å; R470-S472 WeakPolarHBondContact CD-O 3.28Å; R470-S472 WeakPolarHBondContact CG-O 3.35Å; R470-S473 PolarHBondContact NH1-O 3.3Å; R470-V475 WeakPolarHBondContact CD-O 3.21Å; R470-L477 HydrophobicContact CB-CD2 4.01Å; R470-L477 HydrophobicContact CG-CD2 3.86Å
471	P	88.9	Confident	88.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-81.3	-19.6	177	31.9	-33.8	0	0	0	113.5	C426 S427 V475 M488 C493	C426-P471 CarbonylContact C-O 3.58Å; C426-P471 WeakPolarHBondContact CA-O 3.45Å; S427-P471 PolarHBondContact N-O 3.48Å; P471-V475 HydrophobicContact CG-CB 3.98Å; P471-V475 HydrophobicContact CG-CG1 3.91Å; P471-V475 HydrophobicContact CG-CG2 4.08Å; P471-M488 HydrophobicContact CB-CE 4.26Å; P471-M488 HydrophobicContact CB-SD 3.8Å; P471-M488 HydrophobicContact CG-CE 4.31Å; P471-M488 HydrophobicContact CG-SD 4.49Å; P471-C493 HydrophobicContact CB-CB 4.38Å
472	S	88.4	Confident	88.5	Confident	2 Å²	2	53 Å²	53	1%	0.014	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-153.3	170.6	173	70.6	0	0	0	0	112.4	L425 R470 R474 V475 P495	L425-S472 WeakPolarHBondContact O-CA 3.47Å; L425-S472 WeakPolarHBondContact O-CB 3.42Å; R470-S472 WeakPolarHBondContact CD-O 3.28Å; R470-S472 WeakPolarHBondContact CG-O 3.35Å; S472-R474 PolarHBondContact O-N 3.35Å; S472-R474 PolarHBondContact OG-N 3.45Å; S472-V475 PolarHBondContact O-N 3.19Å; S472-V475 PolarHBondContact OG-N 2.91Å; S472-P495 VanDerWaalsContact CB-O 3.29Å; S472-P495 WeakPolarHBondContact CB-O 3.4Å; S472-P495 PolarHBondContact OG-O 3.43Å
473	S	84.8	Confident	88.7	Confident	57 Å²	57	53.4 Å²	53.4	40%	0.399	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29	173.2	67.9	0	0	0	0	113.5	L425 R470	L425-S473 VanDerWaalsContact CD2-OG 3.31Å; L425-S473 WeakPolarHBondContact CD2-OG 3.41Å; R470-S473 PolarHBondContact NH1-O 3.3Å
474	R	82.5	Confident	88.9	Confident	187 Å²	187	53 Å²	53	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-19	-179.5	-57.7	-178.3	-175.5	176	3.1	113	S472	S472-R474 PolarHBondContact O-N 3.35Å; S472-R474 PolarHBondContact OG-N 3.45Å
475	V	86.4	Confident	89.3	Confident	19 Å²	19	47.5 Å²	47.5	12%	0.115	23%	0.232	C	C	.	.	S	Bend	trans	-98.9	135.4	179.2	177.1	0	0	0	0	110.7	R470 P471 S472 M478	R470-V475 WeakPolarHBondContact CD-O 3.21Å; P471-V475 HydrophobicContact CG-CB 3.98Å; P471-V475 HydrophobicContact CG-CG1 3.91Å; P471-V475 HydrophobicContact CG-CG2 4.08Å; S472-V475 PolarHBondContact O-N 3.19Å; S472-V475 PolarHBondContact OG-N 2.91Å; V475-M478 HydrophobicContact CG1-CE 3.76Å
476	A	86.7	Confident	89.7	Confident	79 Å²	79	45.5 Å²	45.5	65%	0.653	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-65.2	146.5	-179.3	0	0	0	0	0	112.8	M478	A476-M478 PolarHBondContact O-N 2.93Å
477	L	89.7	Confident	90.1	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.209	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60.7	131.1	174.1	-75	171.4	0	0	0	111.2	A432 I435 I438 T468 R470	A432-L477 HydrophobicContact CB-CD1 4.48Å; A432-L477 HydrophobicContact CB-CD2 3.84Å; I435-L477 HydrophobicContact CD1-CD1 3.58Å; I438-L477 HydrophobicContact CD1-CB 3.84Å; T468-L477 HydrophobicContact CG2-CB 4.49Å; R470-L477 HydrophobicContact CB-CD2 4.01Å; R470-L477 HydrophobicContact CG-CD2 3.86Å
478	M	89.7	Confident	90.3	Very high	19 Å²	19	40.6 Å²	40.6	9%	0.094	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-131.8	152.4	-174.9	60.3	177.2	78.2	0	0	111.3	M447 M469 V475 A476 L480 M488 F500	M447-M478 HydrophobicContact CB-CB 3.92Å; M447-M478 HydrophobicContact CE-CB 4.32Å; M447-M478 HydrophobicContact SD-CB 4.43Å; M469-M478 PolarHBondContact N-O 3.03Å; M469-M478 VanDerWaalsContact O-CG 3.3Å; M469-M478 WeakPolarHBondContact O-CG 3.05Å; M469-M478 PolarHBondContact O-N 2.93Å; V475-M478 HydrophobicContact CG1-CE 3.76Å; A476-M478 PolarHBondContact O-N 2.93Å; M478-L480 HydrophobicContact CG-CD2 3.97Å; M478-L480 HydrophobicContact CG-CG 4.24Å; M478-L480 HydrophobicContact SD-CD2 3.79Å; M478-M488 HydrophobicContact SD-CE 4.32Å; M478-F500 HydrophobicContact SD-CE2 4.29Å
479	V	91.6	Very high	90.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.			trans	-103.2	130.7	176.3	-165	0	0	0	0	109.8	I438 M447 I463 T468	I438-V479 HydrophobicContact CG2-CG2 3.98Å; M447-V479 PolarHBondContact N-O 2.98Å; M447-V479 HydrophobicContact SD-CB 4.45Å; M447-V479 HydrophobicContact SD-CG2 4.39Å; I463-V479 HydrophobicContact CB-CG1 4.45Å; I463-V479 HydrophobicContact CD1-CB 4.33Å; I463-V479 HydrophobicContact CD1-CG1 3.48Å; I463-V479 VanDerWaalsContact CD1-CG1 3.48Å; I463-V479 HydrophobicContact CG2-CG1 4.22Å; T468-V479 HydrophobicContact CG2-CG2 3.98Å
480	L	92.7	Very high	90.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.261	C	S	.	.			trans	-121.4	141.2	-165.7	-62.1	-179.6	0	0	0	112.7	A448 M469 M478 H484 R485 M488 F500	A448-L480 HydrophobicContact CB-CD2 3.91Å; M469-L480 HydrophobicContact CB-CD1 4.08Å; M469-L480 HydrophobicContact CG-CD1 4.48Å; M469-L480 HydrophobicContact SD-CD1 4.07Å; M478-L480 HydrophobicContact CG-CD2 3.97Å; M478-L480 HydrophobicContact CG-CG 4.24Å; M478-L480 HydrophobicContact SD-CD2 3.79Å; L480-H484 HydrophobicContact CB-CB 4.12Å; L480-H484 HydrophobicContact CD1-CB 4.44Å; L480-H484 HydrophobicContact CD2-CB 4Å; L480-H484 HydrophobicContact CG-CB 4.42Å; L480-R485 HydrophobicContact CB-CG 3.64Å; L480-R485 HydrophobicContact CD1-CG 4.43Å; L480-R485 PolarHBondContact O-NE 3.41Å; L480-M488 HydrophobicContact CD1-CB 4.22Å; L480-M488 HydrophobicContact CD1-CE 3.96Å; L480-F500 HydrophobicContact CD1-CZ 3.97Å; L480-F500 HydrophobicContact CD2-CE2 4.2Å; L480-F500 HydrophobicContact CD2-CZ 4.07Å
481	C	93.8	Very high	90.1	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.027	25%	0.248	C	C	.	.			trans	-72.1	163.7	164	65.8	0	0	0	0	110.7	C446 A461 A462 T483 H484 R485	C446-C481 HydrophobicContact CB-CB 4.01Å; C446-C481 PolarHBondContact SG-N 2.72Å; C446-C481 VanDerWaalsContact SG-N 3.41Å; A461-C481 HydrophobicContact CB-CB 4.03Å; A462-C481 WeakPolarHBondContact O-CB 3.45Å; C481-T483 VanDerWaalsContact C-N 3.32Å; C481-T483 PolarHBondContact O-N 2.89Å; C481-T483 PolarHBondContact SG-OG1 3.18Å; C481-H484 PolarHBondContact O-N 2.74Å; C481-H484 PolarHBondContact SG-CE1 3.39Å; C481-H484 PolarHBondContact SG-ND1 2.62Å; C481-R485 PolarHBondContact O-N 3.07Å
482	E	92.2	Very high	90.2	Very high	121 Å²	121	48.7 Å²	48.7	57%	0.565	26%	0.256	S	S	*	.	H	α-helix	trans	-58.3	-39.6	-170	-62.6	175.8	153.8	0	0	113.4	L464 H484 R485 A486	L464-E482 HydrophobicContact CD1-CG 4.47Å; L464-E482 VanDerWaalsContact CD1-OE1 3.27Å; L464-E482 WeakPolarHBondContact CD1-OE1 3.44Å; E482-H484 VanDerWaalsContact C-N 3.29Å; E482-H484 PolarHBondContact O-N 2.89Å; E482-R485 PolarHBondContact O-N 3.3Å; E482-A486 WeakPolarHBondContact O-CB 3.31Å; E482-A486 PolarHBondContact O-N 2.87Å
483	T	93.4	Very high	90.4	Very high	85 Å²	85	48.6 Å²	48.6	52%	0.521	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-34.8	175	51	0	0	0	0	113.2	C481 R487	C481-T483 VanDerWaalsContact C-N 3.32Å; C481-T483 PolarHBondContact O-N 2.89Å; C481-T483 PolarHBondContact SG-OG1 3.18Å; T483-R487 WeakPolarHBondContact O-CG 3.47Å; T483-R487 PolarHBondContact O-N 3.06Å; T483-R487 VanDerWaalsContact O-N 3.13Å
484	H	94	Very high	90.7	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.028	24%	0.237	C	C	.	.	H	α-helix	trans	-82.6	-32.1	177.6	-77	99.1	0	0	0	112.6	C446 A448 E450 C459 L480 C481 E482 R487 M488 F500	C446-H484 PolarHBondContact SG-CE1 3.33Å; A448-H484 HydrophobicContact CB-CB 4.07Å; A448-H484 WeakPolarHBondContact CB-CD2 3.14Å; A448-H484 VanDerWaalsContact CB-CG 3.44Å; E450-H484 IonicContact OE1-NE2 2.8Å; E450-H484 PolarHBondContact OE1-NE2 3.17Å; C459-H484 WeakPolarHBondContact CB-NE2 3.5Å; C459-H484 PolarHBondContact SG-CE1 3.43Å; C459-H484 PolarHBondContact SG-NE2 2.97Å; L480-H484 HydrophobicContact CB-CB 4.12Å; L480-H484 HydrophobicContact CD1-CB 4.44Å; L480-H484 HydrophobicContact CD2-CB 4Å; L480-H484 HydrophobicContact CG-CB 4.42Å; C481-H484 PolarHBondContact O-N 2.74Å; C481-H484 PolarHBondContact SG-CE1 3.39Å; C481-H484 PolarHBondContact SG-ND1 2.62Å; E482-H484 VanDerWaalsContact C-N 3.29Å; E482-H484 PolarHBondContact O-N 2.89Å; H484-R487 PolarHBondContact O-N 2.82Å; H484-M488 VanDerWaalsContact O-CB 3.32Å; H484-M488 WeakPolarHBondContact O-CB 3.43Å; H484-M488 PolarHBondContact O-N 3.31Å; H484-F500 HydrophobicContact CB-CE1 4.22Å; H484-F500 HydrophobicContact CB-CE2 4.48Å; H484-F500 HydrophobicContact CB-CZ 3.95Å; H484-F500 AromaticContact CD2-CD1 3.77Å; H484-F500 AromaticContact CD2-CD2 3.73Å; H484-F500 AromaticContact CD2-CE1 3.84Å; H484-F500 AromaticContact CD2-CE2 3.82Å; H484-F500 AromaticContact CD2-CG 3.7Å; H484-F500 AromaticContact CD2-CZ 3.84Å; H484-F500 VanDerWaalsContact O-CE1 3.3Å; H484-F500 WeakPolarHBondContact O-CE1 3.39Å
485	R	93.1	Very high	91	Very high	15 Å²	15	37.2 Å²	37.2	6%	0.057	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-47.3	168	-66	-171.3	-173.9	-106.2	-5.5	111.1	E431 K465 E467 M469 L480 C481 E482 R487 M488 V489	E431-R485 IonicContact OE1-CZ 3.07Å; E431-R485 IonicContact OE1-NH1 2.98Å; E431-R485 PolarHBondContact OE1-NH1 2.74Å; K465-R485 VanDerWaalsContact CB-CZ 3.41Å; K465-R485 PolarHBondContact O-NH2 3.04Å; E467-R485 PolarHBondContact O-NH1 2.98Å; E467-R485 PolarHBondContact O-NH2 3.13Å; M469-R485 HydrophobicContact SD-CB 4.3Å; M469-R485 HydrophobicContact SD-CG 3.94Å; L480-R485 HydrophobicContact CB-CG 3.64Å; L480-R485 HydrophobicContact CD1-CG 4.43Å; L480-R485 PolarHBondContact O-NE 3.41Å; C481-R485 PolarHBondContact O-N 3.07Å; E482-R485 PolarHBondContact O-N 3.3Å; R485-R487 VanDerWaalsContact C-N 3.32Å; R485-R487 PolarHBondContact O-N 2.82Å; R485-M488 WeakPolarHBondContact O-CB 3.33Å; R485-M488 PolarHBondContact O-N 2.77Å; R485-M488 VanDerWaalsContact O-N 3.11Å; R485-V489 WeakPolarHBondContact O-CG2 3.4Å; R485-V489 PolarHBondContact O-N 2.99Å
486	A	90.8	Very high	91	Very high	55 Å²	55	38.4 Å²	38.4	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-61.2	-38.2	177.3	0	0	0	0	0	112.7	E482 K490	E482-A486 WeakPolarHBondContact O-CB 3.31Å; E482-A486 PolarHBondContact O-N 2.87Å; A486-K490 WeakPolarHBondContact O-CB 3.37Å; A486-K490 VanDerWaalsContact O-CG 3.32Å; A486-K490 WeakPolarHBondContact O-CG 3.18Å; A486-K490 PolarHBondContact O-N 2.83Å
487	R	91.9	Very high	91.1	Very high	71 Å²	71	36.4 Å²	36.4	27%	0.268	20%	0.202	S	C	.	.	H	α-helix	trans	-68.4	-38.1	171.9	-76.9	170.3	169.5	170	-10	112.7	E450 T483 H484 R485 K490 H491 H492 F500 T502	E450-R487 IonicContact OE1-CZ 3.95Å; E450-R487 IonicContact OE1-NH1 2.77Å; E450-R487 PolarHBondContact OE1-NH1 3.14Å; E450-R487 IonicContact OE2-CZ 3.19Å; E450-R487 IonicContact OE2-NH1 3.87Å; E450-R487 PolarHBondContact OE2-NH1 3.29Å; E450-R487 VanDerWaalsContact OE2-NH1 3.16Å; E450-R487 IonicContact OE2-NH2 2.77Å; T483-R487 WeakPolarHBondContact O-CG 3.47Å; T483-R487 PolarHBondContact O-N 3.06Å; T483-R487 VanDerWaalsContact O-N 3.13Å; H484-R487 PolarHBondContact O-N 2.82Å; R485-R487 VanDerWaalsContact C-N 3.32Å; R485-R487 PolarHBondContact O-N 2.82Å; R487-K490 CarbonylContact O-C 3.59Å; R487-K490 PolarHBondContact O-N 3.07Å; R487-H491 PolarHBondContact O-N 2.78Å; R487-H492 HydrophobicContact CB-CB 4.21Å; R487-H492 WeakPolarHBondContact O-CB 3.29Å; R487-H492 PolarHBondContact O-N 3.25Å; R487-F500 HydrophobicContact CB-CD1 3.84Å; R487-F500 HydrophobicContact CB-CE1 3.97Å; R487-T502 VanDerWaalsContact CZ-CG2 3.49Å
488	M	91.3	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-51	177.9	-172.5	69.1	82.5	0	0	110.9	C428 M469 P471 M478 L480 H484 R485 K490 H491 C493 F500	C428-M488 HydrophobicContact CB-CG 4.38Å; C428-M488 WeakPolarHBondContact CB-O 3.48Å; C428-M488 HydrophobicContact CB-SD 4.26Å; C428-M488 WeakPolarHBondContact O-CG 3.31Å; M469-M488 HydrophobicContact CE-CB 4.25Å; M469-M488 HydrophobicContact CE-CG 3.8Å; M469-M488 HydrophobicContact SD-CB 4.44Å; M469-M488 HydrophobicContact SD-CG 4.29Å; P471-M488 HydrophobicContact CB-CE 4.26Å; P471-M488 HydrophobicContact CB-SD 3.8Å; P471-M488 HydrophobicContact CG-CE 4.31Å; P471-M488 HydrophobicContact CG-SD 4.49Å; M478-M488 HydrophobicContact SD-CE 4.32Å; L480-M488 HydrophobicContact CD1-CB 4.22Å; L480-M488 HydrophobicContact CD1-CE 3.96Å; H484-M488 VanDerWaalsContact O-CB 3.32Å; H484-M488 WeakPolarHBondContact O-CB 3.43Å; H484-M488 PolarHBondContact O-N 3.31Å; R485-M488 WeakPolarHBondContact O-CB 3.33Å; R485-M488 PolarHBondContact O-N 2.77Å; R485-M488 VanDerWaalsContact O-N 3.11Å; M488-K490 PolarHBondContact O-N 2.87Å; M488-H491 WeakPolarHBondContact O-CA 3.31Å; M488-H491 PolarHBondContact O-N 2.84Å; M488-C493 HydrophobicContact CE-CB 4.18Å; M488-C493 HydrophobicContact SD-CB 3.69Å; M488-F500 HydrophobicContact CB-CE1 4.12Å; M488-F500 HydrophobicContact CB-CZ 4.44Å; M488-F500 HydrophobicContact CE-CE1 4.25Å; M488-F500 HydrophobicContact CE-CE2 4.38Å; M488-F500 HydrophobicContact CE-CZ 3.69Å
489	V	89.9	Confident	91.3	Very high	71 Å²	71	37.9 Å²	37.9	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-61.9	-29.7	178.6	175.7	0	0	0	0	112.4	M469 R485 H491	M469-V489 HydrophobicContact CE-CG2 4.1Å; R485-V489 WeakPolarHBondContact O-CG2 3.4Å; R485-V489 PolarHBondContact O-N 2.99Å; V489-H491 VanDerWaalsContact C-N 3.25Å; V489-H491 PolarHBondContact O-N 3.36Å
490	K	89	Confident	91.4	Very high	139 Å²	139	37.9 Å²	37.9	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	10	171.3	-70.2	-171.4	175.7	-158.8	0	114.3	A486 R487 M488 H492	A486-K490 WeakPolarHBondContact O-CB 3.37Å; A486-K490 VanDerWaalsContact O-CG 3.32Å; A486-K490 WeakPolarHBondContact O-CG 3.18Å; A486-K490 PolarHBondContact O-N 2.83Å; R487-K490 CarbonylContact O-C 3.59Å; R487-K490 PolarHBondContact O-N 3.07Å; M488-K490 PolarHBondContact O-N 2.87Å; K490-H492 PolarHBondContact O-CD2 2.72Å; K490-H492 PolarHBondContact O-N 3.19Å; K490-H492 VanDerWaalsContact O-N 3.15Å
491	H	90.9	Very high	91.3	Very high	13 Å²	13	37.9 Å²	37.9	6%	0.06	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	23	179.5	-57	-80.5	0	0	0	115	C428 R429 R487 M488 V489 C493 H517 R518 H535	C428-H491 VanDerWaalsContact CB-ND1 3.34Å; C428-H491 WeakPolarHBondContact CB-ND1 3.32Å; R429-H491 PolarHBondContact NE-NE2 3.05Å; R429-H491 PolarHBondContact NH2-NE2 3.3Å; R487-H491 PolarHBondContact O-N 2.78Å; M488-H491 WeakPolarHBondContact O-CA 3.31Å; M488-H491 PolarHBondContact O-N 2.84Å; V489-H491 VanDerWaalsContact C-N 3.25Å; V489-H491 PolarHBondContact O-N 3.36Å; H491-C493 PolarHBondContact O-N 2.74Å; H491-C493 VanDerWaalsContact O-N 3.1Å; H491-H517 AromaticContact CD2-CD2 3.63Å; H491-H517 AromaticContact CD2-NE2 3.46Å; H491-H517 PolarHBondContact CD2-NE2 2.94Å; H491-H517 AromaticContact CE1-NE2 3.76Å; H491-H517 AromaticContact CG-CD2 3.57Å; H491-H517 AromaticContact CG-NE2 3.67Å; H491-H517 AromaticContact ND1-NE2 3.92Å; H491-H517 AromaticContact NE2-NE2 3.49Å; H491-H517 PolarHBondContact NE2-NE2 2.8Å; H491-R518 PolarHBondContact O-N 3.16Å; H491-H535 AromaticContact ND1-ND1 3.73Å; H491-H535 PolarHBondContact O-CE1 3.04Å; H491-H535 PolarHBondContact O-NE2 3.3Å
492	H	91.4	Very high	90.9	Very high	38 Å²	38	38.5 Å²	38.5	18%	0.176	21%	0.21	C	C	.	.			trans	-83.2	33.4	175	-60.3	-178.9	0	0	0	112.6	R487 K490 F500 C501	R487-H492 HydrophobicContact CB-CB 4.21Å; R487-H492 WeakPolarHBondContact O-CB 3.29Å; R487-H492 PolarHBondContact O-N 3.25Å; K490-H492 PolarHBondContact O-CD2 2.72Å; K490-H492 PolarHBondContact O-N 3.19Å; K490-H492 VanDerWaalsContact O-N 3.15Å; H492-F500 WeakPolarHBondContact O-CA 3.47Å; H492-C501 PolarHBondContact O-N 2.85Å
493	C	92.1	Very high	90.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-139.3	122.8	178.7	-172.3	0	0	0	0	109.2	P471 M488 H491 P495 F500 H535	P471-C493 HydrophobicContact CB-CB 4.38Å; M488-C493 HydrophobicContact CE-CB 4.18Å; M488-C493 HydrophobicContact SD-CB 3.69Å; H491-C493 PolarHBondContact O-N 2.74Å; H491-C493 VanDerWaalsContact O-N 3.1Å; C493-P495 WeakPolarHBondContact O-CD 3.33Å; C493-F500 HydrophobicContact CB-CD1 3.72Å; C493-F500 HydrophobicContact CB-CE1 3.82Å; C493-F500 HydrophobicContact CB-CG 4.2Å; C493-F500 HydrophobicContact CB-CZ 4.35Å; C493-H535 PolarHBondContact O-CE1 3.02Å; C493-H535 PolarHBondContact O-NE2 2.84Å
494	C	91.6	Very high	90.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.			trans	-71.8	123.4	-172	-179.1	0	0	0	0	111.5	G496 G498 Y499 F519 H520 C523	C494-G496 VanDerWaalsContact C-N 3.25Å; C494-G496 PolarHBondContact O-N 3.21Å; C494-G498 WeakPolarHBondContact O-CA 3.3Å; C494-G498 PolarHBondContact O-N 2.88Å; C494-Y499 PolarHBondContact N-O 3.04Å; C494-F519 HydrophobicContact CB-CB 4.37Å; C494-H520 WeakPolarHBondContact CB-ND1 3.48Å; C494-C523 WeakPolarHBondContact SG-CB 3.3Å
495	P	89.5	Confident	89.9	Confident	5 Å²	5	31.6 Å²	31.6	3%	0.032	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.8	-178.9	-25.4	38.1	0	0	0	114.1	S472 C493 P534 H535	S472-P495 VanDerWaalsContact CB-O 3.29Å; S472-P495 WeakPolarHBondContact CB-O 3.4Å; S472-P495 PolarHBondContact OG-O 3.43Å; C493-P495 WeakPolarHBondContact O-CD 3.33Å; P495-P534 HydrophobicContact CB-CB 4.4Å; P495-P534 WeakPolarHBondContact CB-O 3.34Å; P495-P534 WeakPolarHBondContact CG-O 3.1Å; P495-H535 VanDerWaalsContact CD-CE1 3.49Å; P495-H535 WeakPolarHBondContact CD-CE1 3.33Å; P495-H535 WeakPolarHBondContact CD-NE2 3.29Å; P495-H535 HydrophobicContact CG-CB 4.47Å; P495-H535 VanDerWaalsContact CG-ND1 3.33Å; P495-H535 WeakPolarHBondContact CG-ND1 3.48Å
496	G	85.8	Confident	89.8	Confident	45 Å²	45	31.2 Å²	31.2	46%	0.464	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-38.2	-179.8	0	0	0	0	0	114.5	C494	C494-G496 VanDerWaalsContact C-N 3.25Å; C494-G496 PolarHBondContact O-N 3.21Å
497	C	89.5	Confident	89.8	Confident	36 Å²	36	29.4 Å²	29.4	24%	0.243	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-17.1	-175.8	66.7	0	0	0	0	114.8	Y499 H520	C497-Y499 VanDerWaalsContact C-N 3.34Å; C497-Y499 HydrophobicContact CB-CD2 3.95Å; C497-Y499 HydrophobicContact CB-CE2 4.15Å; C497-Y499 HydrophobicContact CB-CG 4.47Å; C497-Y499 VanDerWaalsContact SG-CD2 3.57Å; C497-H520 PolarHBondContact SG-ND1 2.93Å
498	G	90.3	Very high	89.8	Confident	5 Å²	5	26.8 Å²	26.8	5%	0.052	15%	0.15	C	C	.	.			trans	80.3	7.7	-178.6	0	0	0	0	0	115.7	C494	C494-G498 WeakPolarHBondContact O-CA 3.3Å; C494-G498 PolarHBondContact O-N 2.88Å
499	Y	93.3	Very high	89.7	Confident	85 Å²	85	27.3 Å²	27.3	33%	0.333	15%	0.153	S	C	.	.			trans	-92.8	144.3	179.4	-53	-35.6	0	0	0	112.1	T449 L456 C494 C497	T449-Y499 HydrophobicContact CG2-CD1 3.83Å; T449-Y499 HydrophobicContact CG2-CE1 4.07Å; T449-Y499 HydrophobicContact CG2-CG 4.49Å; L456-Y499 HydrophobicContact CD1-CD2 4.44Å; L456-Y499 HydrophobicContact CD1-CE1 4.35Å; L456-Y499 HydrophobicContact CD1-CE2 3.72Å; L456-Y499 HydrophobicContact CD2-CD1 4.46Å; L456-Y499 HydrophobicContact CD2-CD2 3.59Å; L456-Y499 HydrophobicContact CD2-CE2 3.74Å; L456-Y499 HydrophobicContact CD2-CG 3.99Å; L456-Y499 HydrophobicContact CG-CE2 4.41Å; C494-Y499 PolarHBondContact N-O 3.04Å; C497-Y499 VanDerWaalsContact C-N 3.34Å; C497-Y499 HydrophobicContact CB-CD2 3.95Å; C497-Y499 HydrophobicContact CB-CE2 4.15Å; C497-Y499 HydrophobicContact CB-CG 4.47Å; C497-Y499 VanDerWaalsContact SG-CD2 3.57Å
500	F	93.8	Very high	89.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	133.8	176.3	-70.5	-95.2	0	0	0	111.2	A448 T449 E450 S451 M478 L480 H484 R487 M488 H492 C493 T502	A448-F500 HydrophobicContact CB-CD2 3.7Å; A448-F500 HydrophobicContact CB-CE2 3.4Å; A448-F500 HydrophobicContact CB-CZ 4.25Å; T449-F500 PolarHBondContact O-N 3.42Å; E450-F500 HydrophobicContact CG-CB 4.49Å; S451-F500 PolarHBondContact N-O 3.33Å; M478-F500 HydrophobicContact SD-CE2 4.29Å; L480-F500 HydrophobicContact CD1-CZ 3.97Å; L480-F500 HydrophobicContact CD2-CE2 4.2Å; L480-F500 HydrophobicContact CD2-CZ 4.07Å; H484-F500 HydrophobicContact CB-CE1 4.22Å; H484-F500 HydrophobicContact CB-CE2 4.48Å; H484-F500 HydrophobicContact CB-CZ 3.95Å; H484-F500 AromaticContact CD2-CD1 3.77Å; H484-F500 AromaticContact CD2-CD2 3.73Å; H484-F500 AromaticContact CD2-CE1 3.84Å; H484-F500 AromaticContact CD2-CE2 3.82Å; H484-F500 AromaticContact CD2-CG 3.7Å; H484-F500 AromaticContact CD2-CZ 3.84Å; H484-F500 VanDerWaalsContact O-CE1 3.3Å; H484-F500 WeakPolarHBondContact O-CE1 3.39Å; R487-F500 HydrophobicContact CB-CD1 3.84Å; R487-F500 HydrophobicContact CB-CE1 3.97Å; M488-F500 HydrophobicContact CB-CE1 4.12Å; M488-F500 HydrophobicContact CB-CZ 4.44Å; M488-F500 HydrophobicContact CE-CE1 4.25Å; M488-F500 HydrophobicContact CE-CE2 4.38Å; M488-F500 HydrophobicContact CE-CZ 3.69Å; H492-F500 WeakPolarHBondContact O-CA 3.47Å; C493-F500 HydrophobicContact CB-CD1 3.72Å; C493-F500 HydrophobicContact CB-CE1 3.82Å; C493-F500 HydrophobicContact CB-CG 4.2Å; C493-F500 HydrophobicContact CB-CZ 4.35Å; F500-T502 HydrophobicContact CB-CG2 3.52Å; F500-T502 PolarHBondContact O-N 2.8Å
501	C	90.8	Very high	88.8	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	85.4	179.9	-61.3	0	0	0	0	109.2	H492 F506 R518	H492-C501 PolarHBondContact O-N 2.85Å; C501-F506 HydrophobicContact CB-CD1 3.73Å; C501-F506 HydrophobicContact CB-CD2 3.79Å; C501-F506 HydrophobicContact CB-CE1 3.78Å; C501-F506 HydrophobicContact CB-CE2 3.84Å; C501-F506 HydrophobicContact CB-CG 3.74Å; C501-F506 HydrophobicContact CB-CZ 3.84Å; C501-F506 VanDerWaalsContact SG-CD1 3.58Å; C501-R518 HydrophobicContact CB-CB 3.94Å
502	T	84.5	Confident	88	Confident	17 Å²	17	26.1 Å²	26.1	10%	0.104	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-30.1	-162.2	67.5	0	0	0	0	115.6	E450 R487 F500 I548	E450-T502 HydrophobicContact CB-CG2 4.14Å; E450-T502 HydrophobicContact CG-CG2 3.83Å; E450-T502 WeakPolarHBondContact OE2-CB 3.47Å; E450-T502 VanDerWaalsContact OE2-CG2 3.25Å; E450-T502 WeakPolarHBondContact OE2-CG2 3.49Å; E450-T502 PolarHBondContact OE2-OG1 3.45Å; R487-T502 VanDerWaalsContact CZ-CG2 3.49Å; F500-T502 HydrophobicContact CB-CG2 3.52Å; F500-T502 PolarHBondContact O-N 2.8Å; T502-I548 WeakPolarHBondContact O-CG2 3.34Å
503	A	85.3	Confident	86.9	Confident	9 Å²	9	31.3 Å²	31.3	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	159.3	169.3	0	0	0	0	0	109.2	V452 F506 I548 R550	V452-A503 WeakPolarHBondContact CA-O 3.45Å; V452-A503 HydrophobicContact CG1-CB 3.73Å; V452-A503 HydrophobicContact CG2-CB 4.32Å; A503-F506 VanDerWaalsContact O-CE2 3.26Å; A503-F506 WeakPolarHBondContact O-CE2 3.48Å; A503-F506 WeakPolarHBondContact O-CZ 3.28Å; A503-I548 CarbonylContact C-O 3.53Å; A503-I548 WeakPolarHBondContact CA-O 3.44Å; A503-R550 HydrophobicContact CB-CB 4.44Å; A503-R550 HydrophobicContact CB-CG 3.92Å
504	G	85.8	Confident	86	Confident	2 Å²	2	39 Å²	39	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.2	-167	-169.9	0	0	0	0	0	113.5	D453 F506 I548	D453-G504 WeakPolarHBondContact OD1-CA 3.05Å; G504-F506 WeakPolarHBondContact O-CD2 3.43Å; G504-F506 WeakPolarHBondContact O-CE2 3.34Å; G504-I548 PolarHBondContact N-O 2.94Å; G504-I548 PolarHBondContact O-N 3.3Å
505	T	87.6	Confident	85.5	Confident	57 Å²	57	40.2 Å²	40.2	35%	0.35	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.5	-167.9	-50.4	0	0	0	0	113.4	E545 V546 T547	T505-E545 HydrophobicContact CG2-CG 3.39Å; T505-E545 WeakPolarHBondContact CG2-OE1 3.14Å; T505-V546 WeakPolarHBondContact CA-O 3.38Å; T505-T547 WeakPolarHBondContact CG2-OG1 3.17Å; T505-T547 PolarHBondContact OG1-OG1 3.41Å
506	F	91.4	Very high	85.4	Confident	7 Å²	7	41 Å²	41	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	169.5	-178.8	-52.5	-73.8	0	0	0	110.8	C501 A503 G504 H520 E545 V546 I548	C501-F506 HydrophobicContact CB-CD1 3.73Å; C501-F506 HydrophobicContact CB-CD2 3.79Å; C501-F506 HydrophobicContact CB-CE1 3.78Å; C501-F506 HydrophobicContact CB-CE2 3.84Å; C501-F506 HydrophobicContact CB-CG 3.74Å; C501-F506 HydrophobicContact CB-CZ 3.84Å; C501-F506 VanDerWaalsContact SG-CD1 3.58Å; A503-F506 VanDerWaalsContact O-CE2 3.26Å; A503-F506 WeakPolarHBondContact O-CE2 3.48Å; A503-F506 WeakPolarHBondContact O-CZ 3.28Å; G504-F506 WeakPolarHBondContact O-CD2 3.43Å; G504-F506 WeakPolarHBondContact O-CE2 3.34Å; F506-H520 AromaticContact CD1-CD2 3.99Å; F506-H520 AromaticContact CE1-CD2 3.86Å; F506-H520 AromaticContact CE1-NE2 3.55Å; F506-E545 CarbonylContact O-C 3.5Å; F506-E545 WeakPolarHBondContact O-CA 3.41Å; F506-V546 PolarHBondContact N-O 2.94Å; F506-V546 PolarHBondContact O-N 3.4Å; F506-I548 HydrophobicContact CD2-CD1 3.88Å; F506-I548 HydrophobicContact CE2-CD1 4.01Å
507	L	91.1	Very high	85.6	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	142.1	164.1	-64.3	178.7	0	0	0	109.8	R518 F519 K521 V524 A543 Q544 E545	L507-R518 WeakPolarHBondContact O-CA 3.41Å; L507-F519 HydrophobicContact CB-CD2 4.02Å; L507-F519 HydrophobicContact CB-CE1 4.14Å; L507-F519 HydrophobicContact CB-CE2 3.62Å; L507-F519 HydrophobicContact CB-CG 4.45Å; L507-F519 HydrophobicContact CB-CZ 3.68Å; L507-F519 HydrophobicContact CD1-CD2 4.32Å; L507-F519 HydrophobicContact CD1-CE2 3.67Å; L507-F519 HydrophobicContact CD1-CZ 4.28Å; L507-F519 HydrophobicContact CG-CE2 4.29Å; L507-F519 PolarHBondContact N-O 2.9Å; L507-F519 PolarHBondContact O-N 3.47Å; L507-K521 HydrophobicContact CD1-CB 4.25Å; L507-K521 HydrophobicContact CD1-CG 4.15Å; L507-K521 HydrophobicContact CG-CB 4.26Å; L507-K521 HydrophobicContact CG-CG 4.41Å; L507-V524 HydrophobicContact CD1-CG2 3.8Å; L507-A543 HydrophobicContact CB-CB 4.35Å; L507-Q544 CarbonylContact C-O 3.37Å; L507-Q544 WeakPolarHBondContact CA-O 3.38Å; L507-E545 HydrophobicContact CD2-CB 4.26Å
508	E	91.5	Very high	85.7	Confident	16 Å²	16	39.9 Å²	39.9	8%	0.075	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.3	179	-171.6	164.4	81	0	0	110.4	H510 A516 H517 R518 A543 Q544 V546	E508-H510 IonicContact OE1-CE1 3.39Å; E508-H510 PolarHBondContact OE1-CE1 2.86Å; E508-H510 VanDerWaalsContact OE1-CE1 3.28Å; E508-H510 IonicContact OE1-NE2 3.76Å; E508-A516 HydrophobicContact CG-CB 4Å; E508-H517 WeakPolarHBondContact CA-O 3.31Å; E508-R518 HydrophobicContact CG-CG 4.38Å; E508-R518 IonicContact OE1-NH2 3.67Å; E508-R518 IonicContact OE2-CZ 2.74Å; E508-R518 IonicContact OE2-NE 3.69Å; E508-R518 PolarHBondContact OE2-NE 2.71Å; E508-R518 IonicContact OE2-NH2 2.7Å; E508-R518 PolarHBondContact OE2-NH2 3.07Å; E508-A543 CarbonylContact O-C 3.59Å; E508-A543 WeakPolarHBondContact O-CA 3.44Å; E508-Q544 PolarHBondContact N-O 2.84Å; E508-Q544 PolarHBondContact O-N 3.25Å; E508-V546 HydrophobicContact CB-CB 4.2Å; E508-V546 HydrophobicContact CB-CG2 3.68Å; E508-V546 HydrophobicContact CG-CG2 4.42Å
509	C	89.5	Confident	85.8	Confident	11 Å²	11	39.7 Å²	39.7	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	144.9	176.7	170.6	0	0	0	0	109.3	P511 H517 F519 C533 A543	C509-P511 WeakPolarHBondContact O-CD 3.24Å; C509-H517 HydrophobicContact CB-CB 4.25Å; C509-H517 PolarHBondContact N-O 2.82Å; C509-H517 PolarHBondContact O-N 2.65Å; C509-F519 HydrophobicContact CB-CE1 3.86Å; C509-F519 HydrophobicContact CB-CZ 4.42Å; C509-C533 HydrophobicContact CB-CB 4.17Å; C509-A543 HydrophobicContact CB-CB 4.47Å
510	H	86.2	Confident	85.7	Confident	100 Å²	100	36.9 Å²	36.9	46%	0.463	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	74.1	-173.2	-71.3	109.1	0	0	0	111.5	E508 D512	E508-H510 IonicContact OE1-CE1 3.39Å; E508-H510 PolarHBondContact OE1-CE1 2.86Å; E508-H510 VanDerWaalsContact OE1-CE1 3.28Å; E508-H510 IonicContact OE1-NE2 3.76Å; H510-D512 PolarHBondContact O-N 3.36Å
511	P	73.3	Confident	85.4	Confident	37 Å²	37	43.5 Å²	43.5	24%	0.24	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-27.7	178.6	29.4	-39.5	0	0	0	113.1	C509 C536 E538	C509-P511 WeakPolarHBondContact O-CD 3.24Å; P511-C536 HydrophobicContact CB-CB 4.42Å; P511-E538 WeakPolarHBondContact CA-OE2 3.43Å; P511-E538 VanDerWaalsContact CB-OE1 3.24Å; P511-E538 WeakPolarHBondContact CB-OE1 3.45Å; P511-E538 WeakPolarHBondContact CB-OE2 3.47Å
512	D	73.7	Confident	85.2	Confident	61 Å²	61	48.1 Å²	48.1	33%	0.326	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.9	170.7	-93.9	-43.8	0	0	0	108.1	H510 R514 V515 R841	H510-D512 PolarHBondContact O-N 3.36Å; D512-R514 PolarHBondContact O-N 3.02Å; D512-V515 HydrophobicContact CB-CB 4.48Å; D512-V515 HydrophobicContact CB-CG2 4.33Å; D512-V515 PolarHBondContact O-N 3.22Å; D512-R841 IonicContact OD1-CZ 3.66Å; D512-R841 VanDerWaalsContact OD1-CZ 3.32Å; D512-R841 IonicContact OD1-NH1 2.67Å; D512-R841 PolarHBondContact OD1-NH1 2.96Å; D512-R841 IonicContact OD1-NH2 3.8Å; D512-R841 PolarHBondContact OD1-NH2 3.01Å; D512-R841 IonicContact OD2-NH1 3.03Å
513	F	67.6	Low	85.4	Confident	148 Å²	148	48.9 Å²	48.9	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-14.4	176.1	67.6	-80.7	0	0	0	115.1
514	R	75	Confident	85.4	Confident	162 Å²	162	49.8 Å²	49.8	61%	0.611	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.3	176	-55.9	-167.5	-175.8	-142.3	-1.7	114	D512 D810	D512-R514 PolarHBondContact O-N 3.02Å; R514-D810 IonicContact CZ-OD2 2.8Å; R514-D810 IonicContact NH1-OD2 3.79Å; R514-D810 PolarHBondContact NH1-OD2 3.23Å; R514-D810 IonicContact NH2-OD1 3.84Å; R514-D810 IonicContact NH2-OD2 2.77Å; R514-D810 PolarHBondContact NH2-OD2 2.83Å
515	V	80.6	Confident	85.3	Confident	25 Å²	25	51 Å²	51	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	114.2	-168.9	-171.2	0	0	0	0	112.7	D512	D512-V515 HydrophobicContact CB-CB 4.48Å; D512-V515 HydrophobicContact CB-CG2 4.33Å; D512-V515 PolarHBondContact O-N 3.22Å
516	A	86.8	Confident	85	Confident	21 Å²	21	55.4 Å²	55.4	17%	0.174	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	113.9	175.9	0	0	0	0	0	111.7	E508	E508-A516 HydrophobicContact CG-CB 4Å
517	H	90.6	Very high	84.1	Confident	12 Å²	12	56.6 Å²	56.6	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.9	179.3	-76.7	173.4	0	0	0	111.1	H491 E508 C509 F519 H535 C536	H491-H517 AromaticContact CD2-CD2 3.63Å; H491-H517 AromaticContact CD2-NE2 3.46Å; H491-H517 PolarHBondContact CD2-NE2 2.94Å; H491-H517 AromaticContact CE1-NE2 3.76Å; H491-H517 AromaticContact CG-CD2 3.57Å; H491-H517 AromaticContact CG-NE2 3.67Å; H491-H517 AromaticContact ND1-NE2 3.92Å; H491-H517 AromaticContact NE2-NE2 3.49Å; H491-H517 PolarHBondContact NE2-NE2 2.8Å; E508-H517 WeakPolarHBondContact CA-O 3.31Å; C509-H517 HydrophobicContact CB-CB 4.25Å; C509-H517 PolarHBondContact N-O 2.82Å; C509-H517 PolarHBondContact O-N 2.65Å; H517-F519 WeakPolarHBondContact O-CD1 3.37Å; H517-F519 WeakPolarHBondContact O-CE1 3.11Å; H517-H535 HydrophobicContact CB-CB 3.86Å; H517-H535 VanDerWaalsContact CG-CB 3.45Å; H517-H535 AromaticContact CG-CG 3.87Å; H517-H535 VanDerWaalsContact ND1-CB 3.3Å; H517-H535 WeakPolarHBondContact ND1-CB 3.47Å; H517-C536 PolarHBondContact ND1-SG 2.69Å; H517-C536 VanDerWaalsContact ND1-SG 3.41Å
518	R	91.8	Very high	83.2	Confident	46 Å²	46	62.5 Å²	62.5	17%	0.174	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.3	-177.5	-66	-176.9	172.7	161.4	7.3	113.2	H491 C501 L507 E508 H535 I548	H491-R518 PolarHBondContact O-N 3.16Å; C501-R518 HydrophobicContact CB-CB 3.94Å; L507-R518 WeakPolarHBondContact O-CA 3.41Å; E508-R518 HydrophobicContact CG-CG 4.38Å; E508-R518 IonicContact OE1-NH2 3.67Å; E508-R518 IonicContact OE2-CZ 2.74Å; E508-R518 IonicContact OE2-NE 3.69Å; E508-R518 PolarHBondContact OE2-NE 2.71Å; E508-R518 IonicContact OE2-NH2 2.7Å; E508-R518 PolarHBondContact OE2-NH2 3.07Å; R518-H535 PolarHBondContact O-NE2 3.37Å; R518-I548 VanDerWaalsContact NH1-CD1 3.29Å
519	F	91.5	Very high	82.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.9	-179.7	54.4	-77.9	0	0	0	112.5	C494 L507 C509 H517 V524 C533 P534 A540 A543	C494-F519 HydrophobicContact CB-CB 4.37Å; L507-F519 HydrophobicContact CB-CD2 4.02Å; L507-F519 HydrophobicContact CB-CE1 4.14Å; L507-F519 HydrophobicContact CB-CE2 3.62Å; L507-F519 HydrophobicContact CB-CG 4.45Å; L507-F519 HydrophobicContact CB-CZ 3.68Å; L507-F519 HydrophobicContact CD1-CD2 4.32Å; L507-F519 HydrophobicContact CD1-CE2 3.67Å; L507-F519 HydrophobicContact CD1-CZ 4.28Å; L507-F519 HydrophobicContact CG-CE2 4.29Å; L507-F519 PolarHBondContact N-O 2.9Å; L507-F519 PolarHBondContact O-N 3.47Å; C509-F519 HydrophobicContact CB-CE1 3.86Å; C509-F519 HydrophobicContact CB-CZ 4.42Å; H517-F519 WeakPolarHBondContact O-CD1 3.37Å; H517-F519 WeakPolarHBondContact O-CE1 3.11Å; F519-V524 HydrophobicContact CD2-CG1 4.43Å; F519-V524 HydrophobicContact CD2-CG2 4.02Å; F519-V524 HydrophobicContact CE2-CB 4.31Å; F519-V524 HydrophobicContact CE2-CG1 3.8Å; F519-V524 HydrophobicContact CE2-CG2 3.84Å; F519-C533 HydrophobicContact CE1-CB 4.33Å; F519-C533 WeakPolarHBondContact CE1-SG 3.35Å; F519-C533 HydrophobicContact CZ-CB 4.4Å; F519-P534 HydrophobicContact CB-CG 3.64Å; F519-P534 HydrophobicContact CD1-CG 4.34Å; F519-P534 HydrophobicContact CD2-CG 3.85Å; F519-P534 HydrophobicContact CG-CG 3.7Å; F519-A540 HydrophobicContact CZ-CB 4.01Å; F519-A543 HydrophobicContact CZ-CB 3.96Å
520	H	90.5	Very high	81.8	Confident	27 Å²	27	69.7 Å²	69.7	13%	0.125	37%	0.374	C	S	.	.			trans	-76.6	142.3	177.5	-61.2	78.9	0	0	0	111.5	S451 C494 C497 F506 A522 C523	S451-H520 VanDerWaalsContact CB-NE2 3.31Å; S451-H520 WeakPolarHBondContact CB-NE2 3.41Å; S451-H520 PolarHBondContact OG-NE2 3.26Å; C494-H520 WeakPolarHBondContact CB-ND1 3.48Å; C497-H520 PolarHBondContact SG-ND1 2.93Å; F506-H520 AromaticContact CD1-CD2 3.99Å; F506-H520 AromaticContact CE1-CD2 3.86Å; F506-H520 AromaticContact CE1-NE2 3.55Å; H520-A522 PolarHBondContact O-N 3.31Å; H520-C523 HydrophobicContact CB-CB 4.11Å; H520-C523 PolarHBondContact O-N 3.44Å
521	K	88	Confident	81.7	Confident	138 Å²	138	67 Å²	67	60%	0.6	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.2	176.2	-164.6	165.2	-171.2	169.2	0	114.5	L507 E545	L507-K521 HydrophobicContact CD1-CB 4.25Å; L507-K521 HydrophobicContact CD1-CG 4.15Å; L507-K521 HydrophobicContact CG-CB 4.26Å; L507-K521 HydrophobicContact CG-CG 4.41Å; K521-E545 IonicContact NZ-OE1 2.85Å; K521-E545 IonicContact NZ-OE2 3.95Å; K521-E545 PolarHBondContact NZ-OE2 3.09Å
522	A	87.1	Confident	82.4	Confident	98 Å²	98	66.7 Å²	66.7	81%	0.81	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	7.2	173.6	0	0	0	0	0	113.9	H520	H520-A522 PolarHBondContact O-N 3.31Å
523	C	88.2	Confident	83.1	Confident	34 Å²	34	63.8 Å²	63.8	23%	0.23	34%	0.344	C	S	.	.	S	Bend	trans	-128.7	21.1	-177.3	-60.6	0	0	0	0	112.5	C494 H520	C494-C523 WeakPolarHBondContact SG-CB 3.3Å; H520-C523 HydrophobicContact CB-CB 4.11Å; H520-C523 PolarHBondContact O-N 3.44Å
524	V	86.5	Confident	84.1	Confident	28 Å²	28	57 Å²	57	17%	0.17	32%	0.315	C	S	.	.			trans	-77.3	142.8	175.1	-156.1	0	0	0	0	109.1	L507 F519 V531 F532 A540	L507-V524 HydrophobicContact CD1-CG2 3.8Å; F519-V524 HydrophobicContact CD2-CG1 4.43Å; F519-V524 HydrophobicContact CD2-CG2 4.02Å; F519-V524 HydrophobicContact CE2-CB 4.31Å; F519-V524 HydrophobicContact CE2-CG1 3.8Å; F519-V524 HydrophobicContact CE2-CG2 3.84Å; V524-V531 HydrophobicContact CB-CG1 4.31Å; V524-V531 HydrophobicContact CG1-CG1 3.45Å; V524-V531 VanDerWaalsContact CG1-CG1 3.45Å; V524-F532 WeakPolarHBondContact CG1-O 3.48Å; V524-A540 HydrophobicContact CG1-CB 4.39Å
525	S	83.6	Confident	84.8	Confident	27 Å²	27	49.6 Å²	49.6	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	136.7	174.1	-64.4	0	0	0	0	109.1	F532	S525-F532 PolarHBondContact N-O 2.9Å; S525-F532 VanDerWaalsContact N-O 3.14Å; S525-F532 PolarHBondContact O-N 3.46Å
526	Q	81.1	Confident	85	Confident	150 Å²	150	50.1 Å²	50.1	70%	0.701	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.7	176.3	-69.8	-177.4	-10.4	0	0	109.6	M530	Q526-M530 WeakPolarHBondContact CA-O 3.36Å
527	L	72.9	Confident	84.9	Confident	32 Å²	32	50.1 Å²	50.1	17%	0.168	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	122.4	179.3	-133.8	82.5	0	0	0	109.1	E421 L423 G529 M530 F532	E421-L527 HydrophobicContact CB-CD1 3.93Å; E421-L527 HydrophobicContact CB-CD2 3.91Å; E421-L527 HydrophobicContact CB-CG 4.36Å; E421-L527 HydrophobicContact CG-CD1 4.09Å; E421-L527 HydrophobicContact CG-CD2 4.38Å; E421-L527 HydrophobicContact CG-CG 4.46Å; E421-L527 VanDerWaalsContact OE1-CD1 3.32Å; E421-L527 WeakPolarHBondContact OE1-CD1 3.39Å; E421-L527 WeakPolarHBondContact OE1-CG 3.12Å; E421-L527 VanDerWaalsContact OE2-CD2 3.28Å; E421-L527 WeakPolarHBondContact OE2-CD2 3.39Å; E421-L527 WeakPolarHBondContact OE2-CG 3.49Å; L423-L527 HydrophobicContact CD1-CB 4.35Å; L423-L527 HydrophobicContact CD1-CD1 4.07Å; L423-L527 HydrophobicContact CD1-CD2 3.79Å; L423-L527 HydrophobicContact CD1-CG 4.3Å; L423-L527 HydrophobicContact CD2-CD1 4.4Å; L423-L527 HydrophobicContact CG-CD1 4.26Å; L527-G529 PolarHBondContact O-N 3.11Å; L527-M530 PolarHBondContact N-O 3.48Å; L527-M530 WeakPolarHBondContact O-CB 3.43Å; L527-M530 PolarHBondContact O-N 3.16Å; L527-F532 HydrophobicContact CB-CD2 3.92Å; L527-F532 HydrophobicContact CB-CE2 3.46Å; L527-F532 VanDerWaalsContact CB-CE2 3.46Å; L527-F532 HydrophobicContact CB-CZ 4.45Å
528	N	72.3	Confident	84.6	Confident	139 Å²	139	53.9 Å²	53.9	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	29.6	176.9	-59.1	-53.6	0	0	0	114.8
529	G	74.1	Confident	84.2	Confident	74 Å²	74	55.7 Å²	55.7	76%	0.763	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-15.3	-176.8	0	0	0	0	0	115.6	L527	L527-G529 PolarHBondContact O-N 3.11Å
530	M	75.8	Confident	83.8	Confident	105 Å²	105	56 Å²	56	52%	0.517	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	158.7	172.8	-65.8	176.6	-69.9	0	0	111.3	Q526 L527 F532	Q526-M530 WeakPolarHBondContact CA-O 3.36Å; L527-M530 PolarHBondContact N-O 3.48Å; L527-M530 WeakPolarHBondContact O-CB 3.43Å; L527-M530 PolarHBondContact O-N 3.16Å; M530-F532 HydrophobicContact CB-CD2 4.46Å; M530-F532 HydrophobicContact CB-CE2 3.48Å; M530-F532 VanDerWaalsContact CB-CE2 3.48Å; M530-F532 HydrophobicContact CB-CZ 3.56Å; M530-F532 HydrophobicContact CE-CZ 4.18Å; M530-F532 HydrophobicContact SD-CZ 4.37Å
531	V	85.2	Confident	83.4	Confident	44 Å²	44	58.7 Å²	58.7	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	111	-162.8	178.1	0	0	0	0	108.9	V524 A540	V524-V531 HydrophobicContact CB-CG1 4.31Å; V524-V531 HydrophobicContact CG1-CG1 3.45Å; V524-V531 VanDerWaalsContact CG1-CG1 3.45Å; V531-A540 HydrophobicContact CG1-CB 4.4Å; V531-A540 WeakPolarHBondContact O-CA 2.94Å; V531-A540 WeakPolarHBondContact O-CB 3.06Å; V531-A540 PolarHBondContact O-N 2.82Å
532	F	87.2	Confident	83	Confident	29 Å²	29	60.9 Å²	60.9	13%	0.127	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.9	-167.6	-60	-85.7	0	0	0	113.4	L423 V524 S525 L527 M530 P534 G537 E538	L423-F532 HydrophobicContact CD1-CD2 4.06Å; L423-F532 HydrophobicContact CD1-CE2 4.43Å; L423-F532 HydrophobicContact CD1-CG 4.13Å; V524-F532 WeakPolarHBondContact CG1-O 3.48Å; S525-F532 PolarHBondContact N-O 2.9Å; S525-F532 VanDerWaalsContact N-O 3.14Å; S525-F532 PolarHBondContact O-N 3.46Å; L527-F532 HydrophobicContact CB-CD2 3.92Å; L527-F532 HydrophobicContact CB-CE2 3.46Å; L527-F532 VanDerWaalsContact CB-CE2 3.46Å; L527-F532 HydrophobicContact CB-CZ 4.45Å; M530-F532 HydrophobicContact CB-CD2 4.46Å; M530-F532 HydrophobicContact CB-CE2 3.48Å; M530-F532 VanDerWaalsContact CB-CE2 3.48Å; M530-F532 HydrophobicContact CB-CZ 3.56Å; M530-F532 HydrophobicContact CE-CZ 4.18Å; M530-F532 HydrophobicContact SD-CZ 4.37Å; F532-P534 WeakPolarHBondContact O-CD 3.12Å; F532-G537 VanDerWaalsContact CD1-O 3.28Å; F532-G537 WeakPolarHBondContact CD1-O 3.47Å; F532-E538 CarbonylContact C-O 3.27Å; F532-E538 WeakPolarHBondContact CA-O 3.46Å
533	C	89.8	Confident	82.9	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.329	C	S	.	.			trans	-65.7	123.5	176.9	-176.2	0	0	0	0	110.5	P424 C509 F519 H535 C536 G537 E538 A540	P424-C533 WeakPolarHBondContact CG-O 3.28Å; C509-C533 HydrophobicContact CB-CB 4.17Å; F519-C533 HydrophobicContact CE1-CB 4.33Å; F519-C533 WeakPolarHBondContact CE1-SG 3.35Å; F519-C533 HydrophobicContact CZ-CB 4.4Å; C533-H535 PolarHBondContact O-N 3.25Å; C533-C536 VanDerWaalsContact CB-SG 3.59Å; C533-G537 WeakPolarHBondContact O-CA 3.23Å; C533-G537 PolarHBondContact O-N 3.04Å; C533-E538 PolarHBondContact N-O 3.33Å; C533-A540 HydrophobicContact CB-CB 4.25Å
534	P	87.5	Confident	82.8	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.032	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-1.1	-179.5	30.8	-37.6	0	0	0	114.2	P495 F519 F532	P495-P534 HydrophobicContact CB-CB 4.4Å; P495-P534 WeakPolarHBondContact CB-O 3.34Å; P495-P534 WeakPolarHBondContact CG-O 3.1Å; F519-P534 HydrophobicContact CB-CG 3.64Å; F519-P534 HydrophobicContact CD1-CG 4.34Å; F519-P534 HydrophobicContact CD2-CG 3.85Å; F519-P534 HydrophobicContact CG-CG 3.7Å; F532-P534 WeakPolarHBondContact O-CD 3.12Å
535	H	88.6	Confident	83	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.032	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-46.6	175.3	-74.6	-84.5	0	0	0	114	C426 H491 C493 P495 H517 R518 C533	C426-H535 WeakPolarHBondContact CB-O 3.36Å; H491-H535 AromaticContact ND1-ND1 3.73Å; H491-H535 PolarHBondContact O-CE1 3.04Å; H491-H535 PolarHBondContact O-NE2 3.3Å; C493-H535 PolarHBondContact O-CE1 3.02Å; C493-H535 PolarHBondContact O-NE2 2.84Å; P495-H535 VanDerWaalsContact CD-CE1 3.49Å; P495-H535 WeakPolarHBondContact CD-CE1 3.33Å; P495-H535 WeakPolarHBondContact CD-NE2 3.29Å; P495-H535 HydrophobicContact CG-CB 4.47Å; P495-H535 VanDerWaalsContact CG-ND1 3.33Å; P495-H535 WeakPolarHBondContact CG-ND1 3.48Å; H517-H535 HydrophobicContact CB-CB 3.86Å; H517-H535 VanDerWaalsContact CG-CB 3.45Å; H517-H535 AromaticContact CG-CG 3.87Å; H517-H535 VanDerWaalsContact ND1-CB 3.3Å; H517-H535 WeakPolarHBondContact ND1-CB 3.47Å; R518-H535 PolarHBondContact O-NE2 3.37Å; C533-H535 PolarHBondContact O-N 3.25Å
536	C	86.4	Confident	83.3	Confident	37 Å²	37	65.3 Å²	65.3	25%	0.25	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-25.3	-177.4	41.5	0	0	0	0	114.3	P511 H517 C533 E538	P511-C536 HydrophobicContact CB-CB 4.42Å; H517-C536 PolarHBondContact ND1-SG 2.69Å; H517-C536 VanDerWaalsContact ND1-SG 3.41Å; C533-C536 VanDerWaalsContact CB-SG 3.59Å; C536-E538 VanDerWaalsContact C-N 3.29Å; C536-E538 HydrophobicContact CB-CG 4.36Å; C536-E538 VanDerWaalsContact CB-OE1 3.31Å; C536-E538 WeakPolarHBondContact CB-OE1 3.25Å
537	G	84.3	Confident	83.7	Confident	20 Å²	20	62.6 Å²	62.6	21%	0.206	36%	0.355	C	S	.	.			trans	85.8	-4.7	-173.5	0	0	0	0	0	115.6	P424 F532 C533	P424-G537 VanDerWaalsContact CG-CA 3.41Å; F532-G537 VanDerWaalsContact CD1-O 3.28Å; F532-G537 WeakPolarHBondContact CD1-O 3.47Å; C533-G537 WeakPolarHBondContact O-CA 3.23Å; C533-G537 PolarHBondContact O-N 3.04Å
538	E	83.7	Confident	84.4	Confident	91 Å²	91	62.5 Å²	62.5	43%	0.425	36%	0.355	S	S	.	.	S	Bend	trans	-67.1	163.2	169.8	-67.7	154.5	-130	0	0	111.3	P511 F532 C533 C536	P511-E538 WeakPolarHBondContact CA-OE2 3.43Å; P511-E538 VanDerWaalsContact CB-OE1 3.24Å; P511-E538 WeakPolarHBondContact CB-OE1 3.45Å; P511-E538 WeakPolarHBondContact CB-OE2 3.47Å; F532-E538 CarbonylContact C-O 3.27Å; F532-E538 WeakPolarHBondContact CA-O 3.46Å; C533-E538 PolarHBondContact N-O 3.33Å; C536-E538 VanDerWaalsContact C-N 3.29Å; C536-E538 HydrophobicContact CB-CG 4.36Å; C536-E538 VanDerWaalsContact CB-OE1 3.31Å; C536-E538 WeakPolarHBondContact CB-OE1 3.25Å
539	D	84.3	Confident	84.8	Confident	85 Å²	85	61.1 Å²	61.1	46%	0.455	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-60	139.4	174.8	-169.4	10.5	0	0	0	110.7	S541	D539-S541 WeakPolarHBondContact OD1-CB 3.02Å; D539-S541 PolarHBondContact OD1-N 3.35Å; D539-S541 PolarHBondContact OD1-OG 3.47Å; D539-S541 WeakPolarHBondContact OD2-CB 3.48Å; D539-S541 PolarHBondContact OD2-OG 3.06Å
540	A	82.7	Confident	84.7	Confident	7 Å²	7	63.6 Å²	63.6	6%	0.058	34%	0.34	C	S	.	.			trans	-120.3	15	178.9	0	0	0	0	0	111.5	F519 V524 V531 C533 E542 A543	F519-A540 HydrophobicContact CZ-CB 4.01Å; V524-A540 HydrophobicContact CG1-CB 4.39Å; V531-A540 HydrophobicContact CG1-CB 4.4Å; V531-A540 WeakPolarHBondContact O-CA 2.94Å; V531-A540 WeakPolarHBondContact O-CB 3.06Å; V531-A540 PolarHBondContact O-N 2.82Å; C533-A540 HydrophobicContact CB-CB 4.25Å; A540-E542 PolarHBondContact O-N 3.13Å; A540-A543 HydrophobicContact CB-CB 3.93Å; A540-A543 VanDerWaalsContact O-CB 3.28Å; A540-A543 WeakPolarHBondContact O-CB 3.38Å; A540-A543 PolarHBondContact O-N 2.74Å; A540-A543 VanDerWaalsContact O-N 3.12Å
541	S	82.4	Confident	83.9	Confident	83 Å²	83	62.2 Å²	62.2	58%	0.58	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-41.4	165.6	60.3	0	0	0	0	112.4	D539	D539-S541 WeakPolarHBondContact OD1-CB 3.02Å; D539-S541 PolarHBondContact OD1-N 3.35Å; D539-S541 PolarHBondContact OD1-OG 3.47Å; D539-S541 WeakPolarHBondContact OD2-CB 3.48Å; D539-S541 PolarHBondContact OD2-OG 3.06Å
542	E	80.4	Confident	81.5	Confident	183 Å²	183	68.4 Å²	68.4	86%	0.855	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6.1	178.3	-56.9	-165.9	158.6	0	0	114.4	A540 Q544	A540-E542 PolarHBondContact O-N 3.13Å; E542-Q544 PolarHBondContact O-N 3.31Å
543	A	84.5	Confident	78.8	Confident	18 Å²	18	70.3 Å²	70.3	15%	0.149	41%	0.412	C	S	.	.			trans	-64.4	122.4	-174.8	0	0	0	0	0	112.3	L507 E508 C509 F519 A540	L507-A543 HydrophobicContact CB-CB 4.35Å; E508-A543 CarbonylContact O-C 3.59Å; E508-A543 WeakPolarHBondContact O-CA 3.44Å; C509-A543 HydrophobicContact CB-CB 4.47Å; F519-A543 HydrophobicContact CZ-CB 3.96Å; A540-A543 HydrophobicContact CB-CB 3.93Å; A540-A543 VanDerWaalsContact O-CB 3.28Å; A540-A543 WeakPolarHBondContact O-CB 3.38Å; A540-A543 PolarHBondContact O-N 2.74Å; A540-A543 VanDerWaalsContact O-N 3.12Å
544	Q	86.4	Confident	76.1	Confident	127 Å²	127	77 Å²	77	59%	0.593	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.9	-171.2	-167.6	174.7	49.6	0	0	111.8	L507 E508 E542 V546	L507-Q544 CarbonylContact C-O 3.37Å; L507-Q544 WeakPolarHBondContact CA-O 3.38Å; E508-Q544 PolarHBondContact N-O 2.84Å; E508-Q544 PolarHBondContact O-N 3.25Å; E542-Q544 PolarHBondContact O-N 3.31Å; Q544-V546 HydrophobicContact CB-CG2 4.19Å; Q544-V546 HydrophobicContact CG-CG2 4.08Å; Q544-V546 PolarHBondContact O-N 3.28Å
545	E	90.6	Very high	73.4	Confident	108 Å²	108	83.3 Å²	83.3	51%	0.505	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	94	176.1	-170.4	159.5	165.4	0	0	110.9	T505 F506 L507 K521	T505-E545 HydrophobicContact CG2-CG 3.39Å; T505-E545 WeakPolarHBondContact CG2-OE1 3.14Å; F506-E545 CarbonylContact O-C 3.5Å; F506-E545 WeakPolarHBondContact O-CA 3.41Å; L507-E545 HydrophobicContact CD2-CB 4.26Å; K521-E545 IonicContact NZ-OE1 2.85Å; K521-E545 IonicContact NZ-OE2 3.95Å; K521-E545 PolarHBondContact NZ-OE2 3.09Å
546	V	89	Confident	70.9	Confident	27 Å²	27	88.2 Å²	88.2	16%	0.164	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.9	-171.8	174.7	0	0	0	0	111	T505 F506 E508 Q544 I548	T505-V546 WeakPolarHBondContact CA-O 3.38Å; F506-V546 PolarHBondContact N-O 2.94Å; F506-V546 PolarHBondContact O-N 3.4Å; E508-V546 HydrophobicContact CB-CB 4.2Å; E508-V546 HydrophobicContact CB-CG2 3.68Å; E508-V546 HydrophobicContact CG-CG2 4.42Å; Q544-V546 HydrophobicContact CB-CG2 4.19Å; Q544-V546 HydrophobicContact CG-CG2 4.08Å; Q544-V546 PolarHBondContact O-N 3.28Å; V546-I548 HydrophobicContact CG1-CG1 4.37Å
547	T	89.7	Confident	68.5	Low	93 Å²	93	92.9 Å²	92.9	57%	0.571	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.5	111.1	177.7	-60.6	0	0	0	0	110.9	T505	T505-T547 WeakPolarHBondContact CG2-OG1 3.17Å; T505-T547 PolarHBondContact OG1-OG1 3.41Å
548	I	86.7	Confident	65.9	Low	31 Å²	31	97.1 Å²	97.1	16%	0.159	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90	120.3	-179.3	-55.6	166.9	0	0	0	108.8	T502 A503 G504 F506 R518 V546	T502-I548 WeakPolarHBondContact O-CG2 3.34Å; A503-I548 CarbonylContact C-O 3.53Å; A503-I548 WeakPolarHBondContact CA-O 3.44Å; G504-I548 PolarHBondContact N-O 2.94Å; G504-I548 PolarHBondContact O-N 3.3Å; F506-I548 HydrophobicContact CD2-CD1 3.88Å; F506-I548 HydrophobicContact CE2-CD1 4.01Å; R518-I548 VanDerWaalsContact NH1-CD1 3.29Å; V546-I548 HydrophobicContact CG1-CG1 4.37Å
549	P	81.1	Confident	63.5	Low	110 Å²	110	95.9 Å²	95.9	71%	0.714	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-65.6	140.3	-179.2	25.7	-33.6	0	0	0	112.3	G551	P549-G551 PolarHBondContact O-N 2.97Å
550	R	72.8	Confident	61.2	Low	125 Å²	125	98.6 Å²	98.6	47%	0.472	62%	0.618	S	S	.	*	P	Polyproline II helix	trans	-61.4	124.9	169.6	-67.1	-172.7	-175	-145	0.9	108.8	V452 D453 E455 A503 D552	V452-R550 HydrophobicContact CG1-CG 3.86Å; V452-R550 VanDerWaalsContact CG1-CZ 3.41Å; V452-R550 VanDerWaalsContact CG1-NE 3.25Å; D453-R550 IonicContact OD2-CZ 3.32Å; D453-R550 IonicContact OD2-NE 2.68Å; D453-R550 PolarHBondContact OD2-NE 3.35Å; D453-R550 IonicContact OD2-NH2 3.22Å; D453-R550 PolarHBondContact OD2-NH2 2.87Å; E455-R550 IonicContact OE2-CZ 2.76Å; E455-R550 IonicContact OE2-NH1 3.45Å; E455-R550 PolarHBondContact OE2-NH1 3.28Å; E455-R550 IonicContact OE2-NH2 3.97Å; E455-R550 PolarHBondContact OE2-NH2 2.95Å; A503-R550 HydrophobicContact CB-CB 4.44Å; A503-R550 HydrophobicContact CB-CG 3.92Å; R550-D552 PolarHBondContact O-N 3.48Å
551	G	58.2	Low	58.7	Low	77 Å²	77	103.2 Å²	103.2	79%	0.794	66%	0.656	S	S	*	*			trans	-82.8	104	-177.8	0	0	0	0	0	113.1	P549 G553	P549-G551 PolarHBondContact O-N 2.97Å; G551-G553 PolarHBondContact O-N 3.17Å
552	D	34.6	Very low	56.5	Low	173 Å²	173	104 Å²	104	93%	0.925	67%	0.668	S	S	*	*			trans	-65.2	94.8	174.3	-76	-41.3	0	0	0	111.6	R550	R550-D552 PolarHBondContact O-N 3.48Å
553	G	31.3	Very low	54.3	Low	69 Å²	69	101.4 Å²	101.4	71%	0.711	67%	0.667	S	S	*	*			trans	-155.2	-2.2	-168.3	0	0	0	0	0	119.7	G551	G551-G553 PolarHBondContact O-N 3.17Å
554	V	32.4	Very low	51.9	Low	142 Å²	142	105 Å²	105	86%	0.861	70%	0.697	S	S	*	*			trans	-138.8	100.3	177.9	-172.1	0	0	0	0	112.2
555	T	30.5	Very low	49.6	Very low	137 Å²	137	104.8 Å²	104.8	84%	0.84	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-92.9	126.4	168	28.2	0	0	0	0	111.2
556	P	37.4	Very low	47.1	Very low	110 Å²	110	105.5 Å²	105.5	71%	0.714	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-73.4	157.2	170.1	31	-33.9	0	0	0	111.4
557	P	35.2	Very low	44.6	Very low	134 Å²	134	109.7 Å²	109.7	87%	0.87	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-69.4	146.7	-175.2	28.3	-35.2	0	0	0	113.2
558	A	30.5	Very low	42	Very low	110 Å²	110	113.8 Å²	113.8	91%	0.909	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-74.5	153.3	-166	0	0	0	0	0	116
559	G	33.4	Very low	39.4	Very low	65 Å²	65	117.3 Å²	117.3	67%	0.67	79%	0.793	S	S	*	*			trans	-152.6	116.6	167.1	0	0	0	0	0	112.7
560	T	35.7	Very low	37.3	Very low	141 Å²	141	120.3 Å²	120.3	87%	0.865	80%	0.797	S	S	*	*			trans	35.3	100.2	157.6	53.3	0	0	0	0	118.5
561	A	31	Very low	35.6	Very low	104 Å²	104	120.7 Å²	120.7	86%	0.86	81%	0.809	S	S	*	*				88.8	104.2	55.9	0	0	0	0	0	116.3
562	A	35.1	Very low	34.5	Very low	100 Å²	100	123.3 Å²	123.3	83%	0.826	81%	0.809	S	S	*	*			trans	-164.1	150.4	149.5	0	0	0	0	0	109.8
563	P	33.8	Very low	34.8	Very low	129 Å²	129	121.1 Å²	121.1	84%	0.838	80%	0.804	S	S	*	*			trans	-103.9	164.4	-171.2	39	-34.7	0	0	0	115.8
564	A	35	Very low	35	Very low	93 Å²	93	121.3 Å²	121.3	77%	0.769	81%	0.806	S	S	*	*			trans	-78.7	168.4	176.1	0	0	0	0	0	114.1
565	P	37.5	Very low	35.3	Very low	123 Å²	123	126.2 Å²	126.2	80%	0.799	81%	0.809	S	S	*	*				-139.4	172.8	108.6	35.4	-20.7	0	0	0	115
566	P	38.1	Very low	35.4	Very low	123 Å²	123	123.5 Å²	123.5	80%	0.799	80%	0.8	S	S	*	*			trans	-113.3	-147.8	-161.3	44.3	-31.4	0	0	0	114.2
567	P	37.1	Very low	35.4	Very low	115 Å²	115	125 Å²	125	75%	0.747	80%	0.803	S	S	*	*				-113.5	176.7	-117.1	38.5	-20.7	0	0	0	115.3
568	L	35	Very low	35.3	Very low	179 Å²	179	124 Å²	124	94%	0.937	79%	0.794	S	S	*	*			trans	-136.1	147.3	167.8	-75.4	175.3	0	0	0	112.3
569	S	31	Very low	35.4	Very low	104 Å²	104	123.8 Å²	123.8	73%	0.727	79%	0.786	S	S	*	*			trans	-112.1	161.8	-179.6	53	0	0	0	0	111.5
570	Q	37.4	Very low	35.6	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	79%	0.794	S	S	*	*			trans	164.3	150.4	154.9	-91.7	176.6	-59.3	0	0	108.2
571	D	37.3	Very low	35.6	Very low	133 Å²	133	127.8 Å²	127.8	71%	0.711	79%	0.787	S	S	*	*			cis	-152.5	174.3	-4.7	-112.9	-29.2	0	0	0	112.3
572	V	34.2	Very low	35.7	Very low	133 Å²	133	128.4 Å²	128.4	81%	0.806	79%	0.785	S	S	*	*			trans	-150.3	161.4	-159.3	150.7	0	0	0	0	110.4
573	P	41.9	Very low	35.6	Very low	127 Å²	127	127.7 Å²	127.7	83%	0.825	78%	0.779	S	S	*	*			cis	-130.4	-164.5	9.6	44.3	-27.8	0	0	0	115.9
574	G	35.9	Very low	35.5	Very low	72 Å²	72	133 Å²	133	74%	0.742	78%	0.782	S	S	*	*			trans	-177.3	74.5	163.2	0	0	0	0	0	120.8
575	R	37.3	Very low	35.3	Very low	246 Å²	246	136.8 Å²	136.8	93%	0.928	79%	0.786	S	S	*	*			trans	53.9	120.3	166	-82.6	-176.8	160.4	154.5	-5.7	118.7
576	A	34	Very low	34.9	Very low	79 Å²	79	142.5 Å²	142.5	65%	0.653	79%	0.791	S	S	*	*				78	132.4	70	0	0	0	0	0	113.3
577	D	36	Very low	34.4	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	79%	0.791	S	S	*	*			cis	-149.2	162.2	17.8	-119.1	-35.7	0	0	0	115.7
578	T	33.1	Very low	34	Very low	111 Å²	111	144.5 Å²	144.5	68%	0.681	80%	0.8	S	S	*	*			trans	30.2	107.9	156.6	53.8	0	0	0	0	120.6
579	S	32.5	Very low	33.6	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	79%	0.794	S	S	*	*				89	141.8	81.1	75.5	0	0	0	0	114.8
580	Q	38.7	Very low	33.6	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	79%	0.786	S	S	*	*			cis	-153.1	-177	2	-129.9	-159.3	-1.4	0	0	110.5
581	P	35.3	Very low	33.3	Very low	110 Å²	110	138.9 Å²	138.9	71%	0.714	79%	0.791	S	S	*	*				-128.5	176	-116.7	42.6	-24.9	0	0	0	117.5
582	S	34.1	Very low	32.8	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	79%	0.79	S	S	*	*			trans	-99.3	146.9	164	-178.9	0	0	0	0	111.9
583	A	32.2	Very low	32.6	Very low	84 Å²	84	146 Å²	146	69%	0.694	79%	0.793	S	S	*	*			trans	-156.9	136.7	163.7	0	0	0	0	0	108
584	R	32.4	Very low	32.1	Very low	240 Å²	240	145.3 Å²	145.3	91%	0.906	79%	0.789	S	S	*	*			cis	66.3	71.9	5.4	-144.3	-178.1	-155.8	-167.6	8.8	116.1
585	M	29.8	Very low	31.7	Very low	173 Å²	173	147.3 Å²	147.3	85%	0.852	79%	0.789	S	S	*	*			trans	-126.4	130.7	157.3	-84.3	-63.3	-73.1	0	0	111.8
586	R	30.1	Very low	31.4	Very low	243 Å²	243	141.4 Å²	141.4	92%	0.917	78%	0.784	S	S	*	*			trans	-70.6	143.9	157.9	-63.6	175.4	173.9	-137.3	-1.1	108.2
587	G	27.8	Very low	31.2	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	79%	0.791	S	S	*	*			trans	-146.4	124.3	171	0	0	0	0	0	111.2
588	H	28.6	Very low	30.9	Very low	203 Å²	203	143 Å²	143	94%	0.94	79%	0.787	S	S	*	*			trans	-77.5	132.9	167	-78.6	-104.5	0	0	0	109.3
589	G	26.4	Very low	30.8	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	80%	0.795	S	S	*	*			trans	-118.5	88	174.2	0	0	0	0	0	112
590	E	30.2	Very low	30.8	Very low	122 Å²	122	144.9 Å²	144.9	57%	0.57	80%	0.796	S	S	*	*			trans	-65.7	148.9	153.8	-75.1	172.8	78.3	0	0	108.8	R592	E590-R592 HydrophobicContact CB-CG 3.88Å; E590-R592 VanDerWaalsContact CD-NH2 3.26Å; E590-R592 PolarHBondContact O-N 3.16Å; E590-R592 IonicContact OE1-CZ 2.54Å; E590-R592 VanDerWaalsContact OE1-CZ 3.22Å; E590-R592 IonicContact OE1-NE 2.69Å; E590-R592 PolarHBondContact OE1-NE 3.35Å; E590-R592 IonicContact OE1-NH2 3.39Å; E590-R592 PolarHBondContact OE1-NH2 3.13Å; E590-R592 IonicContact OE2-CZ 3.11Å; E590-R592 IonicContact OE2-NE 3.75Å; E590-R592 PolarHBondContact OE2-NE 2.95Å; E590-R592 IonicContact OE2-NH1 3.22Å; E590-R592 IonicContact OE2-NH2 2.77Å; E590-R592 PolarHBondContact OE2-NH2 2.87Å
591	P	31.1	Very low	30.4	Very low	139 Å²	139	143.8 Å²	143.8	90%	0.903	80%	0.796	S	S	*	*			trans	-72.7	57.3	165	32.8	-35.5	0	0	0	110.8
592	R	27.7	Very low	30.1	Very low	187 Å²	187	144.7 Å²	144.7	71%	0.706	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.9	124.9	171.7	-79.4	-171.1	-175	-178.7	13.8	109.3	E590	E590-R592 HydrophobicContact CB-CG 3.88Å; E590-R592 VanDerWaalsContact CD-NH2 3.26Å; E590-R592 PolarHBondContact O-N 3.16Å; E590-R592 IonicContact OE1-CZ 2.54Å; E590-R592 VanDerWaalsContact OE1-CZ 3.22Å; E590-R592 IonicContact OE1-NE 2.69Å; E590-R592 PolarHBondContact OE1-NE 3.35Å; E590-R592 IonicContact OE1-NH2 3.39Å; E590-R592 PolarHBondContact OE1-NH2 3.13Å; E590-R592 IonicContact OE2-CZ 3.11Å; E590-R592 IonicContact OE2-NE 3.75Å; E590-R592 PolarHBondContact OE2-NE 2.95Å; E590-R592 IonicContact OE2-NH1 3.22Å; E590-R592 IonicContact OE2-NH2 2.77Å; E590-R592 PolarHBondContact OE2-NH2 2.87Å
593	R	28.4	Very low	30.2	Very low	229 Å²	229	146.6 Å²	146.6	86%	0.864	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-46.1	140.8	169.6	-61	170	178	164	-2.7	110.1	P595	R593-P595 VanDerWaalsContact O-CD 3.31Å; R593-P595 WeakPolarHBondContact O-CD 3.46Å
594	P	31.8	Very low	30.2	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-60.8	123.8	170.4	26.4	-33.2	0	0	0	109.1	C596	P594-C596 PolarHBondContact O-N 3.02Å
595	P	27.8	Very low	30.7	Very low	114 Å²	114	142.8 Å²	142.8	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-71	116	158.6	30.2	-28.4	0	0	0	106.8	R593 D597	R593-P595 VanDerWaalsContact O-CD 3.31Å; R593-P595 WeakPolarHBondContact O-CD 3.46Å; P595-D597 PolarHBondContact O-N 3.45Å; P595-D597 VanDerWaalsContact O-N 3.07Å
596	C	30.4	Very low	32	Very low	122 Å²	122	139.1 Å²	139.1	82%	0.824	79%	0.785	S	S	*	*			trans	-67.2	107.8	166.4	-66.6	0	0	0	0	107.9	P594	P594-C596 PolarHBondContact O-N 3.02Å
597	D	30.2	Very low	33.9	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	75%	0.754	S	S	*	*			trans	-59.2	130.9	169.7	-102.1	-40.9	0	0	0	109.4	P595	P595-D597 PolarHBondContact O-N 3.45Å; P595-D597 VanDerWaalsContact O-N 3.07Å
598	P	30.1	Very low	36.5	Very low	103 Å²	103	126.8 Å²	126.8	67%	0.669	73%	0.727	S	S	*	*	S	Bend	trans	-72.1	157.4	164.3	32.9	-33.4	0	0	0	109.8
599	L	31.7	Very low	39.2	Very low	164 Å²	164	119.7 Å²	119.7	86%	0.859	70%	0.7	S	S	*	*			trans	79.8	66.4	175.9	-45.5	177.1	0	0	0	116.1
600	A	33	Very low	42	Very low	94 Å²	94	116.4 Å²	116.4	78%	0.777	67%	0.665	S	S	*	*			trans	-128.5	98.9	149.7	0	0	0	0	0	109	T602	A600-T602 PolarHBondContact O-N 3.38Å
601	D	29.4	Very low	44.6	Very low	157 Å²	157	115.5 Å²	115.5	84%	0.84	67%	0.668	S	S	*	*			trans	-76.1	100.5	-175.2	-75.3	-60	0	0	0	112.9
602	T	29.5	Very low	47.2	Very low	130 Å²	130	109.2 Å²	109.2	80%	0.798	63%	0.626	S	S	*	*			trans	-146.2	99.5	156.2	47	0	0	0	0	112.6	A600	A600-T602 PolarHBondContact O-N 3.38Å
603	I	35.9	Very low	49.6	Very low	157 Å²	157	104.2 Å²	104.2	81%	0.805	62%	0.618	S	S	*	*			trans	61.1	107.6	159.2	-49.5	-179.8	0	0	0	116.2	S605	I603-S605 PolarHBondContact O-N 3.31Å
604	D	31.2	Very low	51.9	Low	136 Å²	136	98.1 Å²	98.1	73%	0.727	60%	0.603	S	S	*	*			trans	-55.4	129.4	170.5	-139.5	-44.1	0	0	0	111.7	S606	D604-S606 PolarHBondContact OD1-N 3.16Å; D604-S606 PolarHBondContact OD1-OG 3.5Å
605	S	43.9	Very low	54	Low	107 Å²	107	95.7 Å²	95.7	75%	0.748	60%	0.598	S	S	*	*			trans	-138.3	50.7	171.6	-75.9	0	0	0	0	110.3	I603 G607	I603-S605 PolarHBondContact O-N 3.31Å; S605-G607 VanDerWaalsContact C-N 3.35Å; S605-G607 PolarHBondContact O-N 3.23Å
606	S	57.4	Low	56.6	Low	97 Å²	97	91.1 Å²	91.1	68%	0.678	57%	0.572	S	S	*	*			trans	-62.2	91.8	165.7	29.4	0	0	0	0	110.1	D604	D604-S606 PolarHBondContact OD1-N 3.16Å; D604-S606 PolarHBondContact OD1-OG 3.5Å
607	G	69.6	Low	59.2	Low	24 Å²	24	88.1 Å²	88.1	25%	0.247	55%	0.551	C	S	.	*			trans	-59.4	167.8	175.1	0	0	0	0	0	113.2	S605 S609	S605-G607 VanDerWaalsContact C-N 3.35Å; S605-G607 PolarHBondContact O-N 3.23Å; G607-S609 PolarHBondContact O-N 2.92Å
608	P	83	Confident	62	Low	37 Å²	37	80.9 Å²	80.9	24%	0.24	51%	0.513	C	S	.	.			trans	-55	136.7	-174.6	24.8	-35.4	0	0	0	111.4	E633 L636 V637	P608-E633 HydrophobicContact CG-CB 3.83Å; P608-E633 HydrophobicContact CG-CG 3.98Å; P608-L636 HydrophobicContact CB-CB 4.14Å; P608-L636 VanDerWaalsContact O-CD1 3.28Å; P608-L636 WeakPolarHBondContact O-CD1 3.47Å; P608-V637 HydrophobicContact CB-CG2 3.65Å; P608-V637 HydrophobicContact CG-CG2 3.89Å
609	S	85.1	Confident	64.9	Low	54 Å²	54	76.8 Å²	76.8	38%	0.378	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.7	-175.5	62	0	0	0	0	112.9	G607 L618	G607-S609 PolarHBondContact O-N 2.92Å; S609-L618 CarbonylContact C-O 3.53Å; S609-L618 WeakPolarHBondContact CA-O 3.44Å; S609-L618 VanDerWaalsContact CB-O 3.32Å; S609-L618 WeakPolarHBondContact CB-O 3.28Å
610	L	84.8	Confident	67.7	Low	8 Å²	8	69.2 Å²	69.2	4%	0.042	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	115	-177.4	-68.2	178.1	0	0	0	110.6	L612 L618 L636 Q639 E640 I667 L671	L610-L612 PolarHBondContact O-N 3.4Å; L610-L618 HydrophobicContact CB-CB 4.42Å; L610-L618 PolarHBondContact N-O 3.39Å; L610-L618 PolarHBondContact O-N 3.02Å; L610-L636 HydrophobicContact CB-CD2 4.21Å; L610-L636 HydrophobicContact CD1-CD2 3.66Å; L610-L636 HydrophobicContact CG-CD2 3.92Å; L610-Q639 HydrophobicContact CD1-CB 3.86Å; L610-Q639 HydrophobicContact CD1-CG 3.7Å; L610-E640 HydrophobicContact CD2-CB 4Å; L610-E640 HydrophobicContact CD2-CG 4.47Å; L610-I667 HydrophobicContact CD1-CG2 4.08Å; L610-L671 HydrophobicContact CD1-CD1 4.25Å
611	T	84.7	Confident	70.2	Confident	103 Å²	103	69.3 Å²	69.3	63%	0.632	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.9	173.6	-36.5	0	0	0	0	110.7
612	L	84.7	Confident	72.6	Confident	6 Å²	6	63.9 Å²	63.9	3%	0.031	42%	0.419	C	S	.	.			trans	-77.2	154.4	171.3	-65.6	173.4	0	0	0	110.5	L610 N614 G615 G616 L618 L670 L671 A707	L610-L612 PolarHBondContact O-N 3.4Å; L612-N614 VanDerWaalsContact CB-OD1 3.22Å; L612-N614 WeakPolarHBondContact CB-OD1 3.38Å; L612-N614 PolarHBondContact O-N 3.36Å; L612-N614 VanDerWaalsContact O-N 3.15Å; L612-G615 PolarHBondContact O-N 3.21Å; L612-G616 PolarHBondContact N-O 2.99Å; L612-L618 HydrophobicContact CD1-CD1 4.45Å; L612-L618 HydrophobicContact CD1-CD2 3.89Å; L612-L618 HydrophobicContact CD1-CG 3.95Å; L612-L618 HydrophobicContact CD2-CD1 3.92Å; L612-L618 HydrophobicContact CD2-CG 4.13Å; L612-L618 HydrophobicContact CG-CD1 4.31Å; L612-L618 HydrophobicContact CG-CD2 4.45Å; L612-L618 HydrophobicContact CG-CG 3.94Å; L612-L670 HydrophobicContact CD2-CB 3.92Å; L612-L671 HydrophobicContact CD2-CD2 3.98Å; L612-L671 HydrophobicContact CD2-CG 4.11Å; L612-A707 HydrophobicContact CD1-CB 3.55Å
613	P	79	Confident	75.3	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.3	-176.6	-10.4	27.9	0	0	0	113.8	G615 N673	P613-G615 VanDerWaalsContact C-N 3.34Å; P613-N673 VanDerWaalsContact CB-OD1 3.25Å; P613-N673 WeakPolarHBondContact CB-OD1 3.37Å; P613-N673 WeakPolarHBondContact CG-OD1 3.3Å
614	N	77	Confident	77.3	Confident	102 Å²	102	54.8 Å²	54.8	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.4	166.9	71	-5.1	0	0	0	113.7	L612 G616 A707	L612-N614 VanDerWaalsContact CB-OD1 3.22Å; L612-N614 WeakPolarHBondContact CB-OD1 3.38Å; L612-N614 PolarHBondContact O-N 3.36Å; L612-N614 VanDerWaalsContact O-N 3.15Å; N614-G616 PolarHBondContact OD1-N 3.1Å; N614-A707 PolarHBondContact ND2-O 2.97Å
615	G	76.2	Confident	79.6	Confident	61 Å²	61	55.8 Å²	55.8	63%	0.629	38%	0.376	S	S	*	.	S	Bend	trans	92.5	-6.6	-178.1	0	0	0	0	0	115.2	L612 P613	L612-G615 PolarHBondContact O-N 3.21Å; P613-G615 VanDerWaalsContact C-N 3.34Å
616	G	81.1	Confident	81.4	Confident	19 Å²	19	52 Å²	52	20%	0.196	36%	0.355	C	S	.	.			trans	-65.9	152.4	169.6	0	0	0	0	0	111.6	L612 N614	L612-G616 PolarHBondContact N-O 2.99Å; N614-G616 PolarHBondContact OD1-N 3.1Å
617	C	85.5	Confident	82.7	Confident	58 Å²	58	52.8 Å²	52.8	39%	0.392	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	112.4	177.5	-163.7	0	0	0	0	110
618	L	89.7	Confident	83.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.1	171.2	-61.3	-174.8	0	0	0	109	S609 L610 L612 L636 I667 V703 Q706	S609-L618 CarbonylContact C-O 3.53Å; S609-L618 WeakPolarHBondContact CA-O 3.44Å; S609-L618 VanDerWaalsContact CB-O 3.32Å; S609-L618 WeakPolarHBondContact CB-O 3.28Å; L610-L618 HydrophobicContact CB-CB 4.42Å; L610-L618 PolarHBondContact N-O 3.39Å; L610-L618 PolarHBondContact O-N 3.02Å; L612-L618 HydrophobicContact CD1-CD1 4.45Å; L612-L618 HydrophobicContact CD1-CD2 3.89Å; L612-L618 HydrophobicContact CD1-CG 3.95Å; L612-L618 HydrophobicContact CD2-CD1 3.92Å; L612-L618 HydrophobicContact CD2-CG 4.13Å; L612-L618 HydrophobicContact CG-CD1 4.31Å; L612-L618 HydrophobicContact CG-CD2 4.45Å; L612-L618 HydrophobicContact CG-CG 3.94Å; L618-L636 HydrophobicContact CB-CD2 3.99Å; L618-I667 HydrophobicContact CD1-CG1 4.33Å; L618-I667 HydrophobicContact CD1-CG2 3.97Å; L618-V703 HydrophobicContact CD1-CG1 4.02Å; L618-V703 HydrophobicContact CD2-CB 4.38Å; L618-V703 HydrophobicContact CD2-CG1 3.92Å; L618-V703 WeakPolarHBondContact CD2-O 3.19Å; L618-Q706 HydrophobicContact CD2-CB 3.68Å
619	S	90.8	Very high	83.5	Confident	17 Å²	17	54 Å²	54	12%	0.119	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	154.9	179.2	62.5	0	0	0	0	109.7	V621 H702 Q706	S619-V621 PolarHBondContact O-N 3.04Å; S619-V621 VanDerWaalsContact O-N 3.14Å; S619-H702 CovalentContact O-NE2 1.77Å; S619-H702 PolarHBondContact O-NE2 3.01Å; S619-Q706 PolarHBondContact O-NE2 2.91Å; S619-Q706 PolarHBondContact O-OE1 2.9Å; S619-Q706 VanDerWaalsContact O-OE1 3.07Å; S619-Q706 PolarHBondContact OG-NE2 3.32Å
620	A	89.4	Confident	83.6	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.033	36%	0.358	C	S	.	.	S	Bend	trans	-75.4	3.7	177	0	0	0	0	0	114.5	G622 L623 R629 L632 E633 H702	A620-G622 PolarHBondContact O-N 3.22Å; A620-L623 PolarHBondContact O-N 3.19Å; A620-R629 HydrophobicContact CB-CG 3.78Å; A620-L632 HydrophobicContact CB-CD2 4.19Å; A620-L632 HydrophobicContact CB-CG 4.33Å; A620-E633 HydrophobicContact CB-CG 3.42Å; A620-E633 VanDerWaalsContact CB-CG 3.42Å; A620-H702 WeakPolarHBondContact CA-NE2 3.3Å
621	V	85.6	Confident	83.8	Confident	96 Å²	96	57.7 Å²	57.7	58%	0.582	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	116.9	-177.2	-176.9	0	0	0	0	110.8	S619 H702	S619-V621 PolarHBondContact O-N 3.04Å; S619-V621 VanDerWaalsContact O-N 3.14Å; V621-H702 PolarHBondContact O-CE1 3Å
622	G	80.9	Confident	84	Confident	43 Å²	43	52.8 Å²	52.8	44%	0.443	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	12.4	-176.4	0	0	0	0	0	114.9	A620 H702 R740	A620-G622 PolarHBondContact O-N 3.22Å; G622-H702 WeakPolarHBondContact CA-CE1 3.17Å; G622-H702 PolarHBondContact N-CE1 2.94Å; G622-H702 PolarHBondContact O-CE1 3.48Å; G622-R740 PolarHBondContact O-NH2 3.42Å
623	L	86	Confident	84.3	Confident	14 Å²	14	54.7 Å²	54.7	7%	0.073	35%	0.35	C	S	.	.	S	Bend	trans	-86.6	151	151.2	-72.8	177.3	0	0	0	109.7	A620 R629 L632 V698 H702 Y736	A620-L623 PolarHBondContact O-N 3.19Å; L623-R629 HydrophobicContact CB-CB 4.14Å; L623-R629 HydrophobicContact CB-CG 4.16Å; L623-R629 HydrophobicContact CD1-CB 4.31Å; L623-L632 HydrophobicContact CD1-CB 4.4Å; L623-L632 HydrophobicContact CD1-CD2 3.75Å; L623-V698 HydrophobicContact CD2-CG1 3.75Å; L623-H702 HydrophobicContact CD2-CB 3.7Å; L623-H702 HydrophobicContact CG-CB 4.26Å; L623-H702 PolarHBondContact N-CE1 2.89Å; L623-Y736 HydrophobicContact CD2-CE2 4.35Å
624	P	78.5	Confident	84.8	Confident	83 Å²	83	56.2 Å²	56.2	54%	0.539	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-61.6	161.5	166.2	28.6	-34.9	0	0	0	111.3	G626 R629	P624-G626 PolarHBondContact O-N 3.2Å; P624-R629 WeakPolarHBondContact O-CB 3.35Å
625	L	78.8	Confident	85.4	Confident	156 Å²	156	51.3 Å²	51.3	82%	0.817	32%	0.323	S	S	*	.	S	Bend	trans	-70.2	122.1	171.6	-73.8	163.9	0	0	0	109.3
626	G	80.8	Confident	85.9	Confident	29 Å²	29	48.5 Å²	48.5	30%	0.299	29%	0.293	S	S	.	.	S	Bend	trans	167.4	-178.8	-179.4	0	0	0	0	0	113.6	P624 G628 R629 E630	P624-G626 PolarHBondContact O-N 3.2Å; G626-G628 VanDerWaalsContact C-N 3.29Å; G626-G628 PolarHBondContact O-N 3.02Å; G626-R629 WeakPolarHBondContact O-CB 3.12Å; G626-R629 PolarHBondContact O-N 3.07Å; G626-E630 PolarHBondContact O-N 2.95Å
627	P	84.8	Confident	86.2	Confident	112 Å²	112	51.6 Å²	51.6	73%	0.727	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-36.2	-172.6	-27.3	35.7	0	0	0	114.5	E630 A631	P627-E630 PolarHBondContact O-N 3.43Å; P627-A631 WeakPolarHBondContact O-CB 3.3Å; P627-A631 PolarHBondContact O-N 2.82Å
628	G	83	Confident	86.2	Confident	14 Å²	14	52.7 Å²	52.7	14%	0.144	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-41	176.5	0	0	0	0	0	113.4	G626 A631 L632 E699	G626-G628 VanDerWaalsContact C-N 3.29Å; G626-G628 PolarHBondContact O-N 3.02Å; G628-A631 PolarHBondContact O-N 2.85Å; G628-L632 PolarHBondContact O-N 3.3Å; G628-E699 VanDerWaalsContact CA-CG 3.41Å; G628-E699 WeakPolarHBondContact CA-OE1 3.03Å; G628-E699 VanDerWaalsContact O-CG 3.27Å; G628-E699 WeakPolarHBondContact O-CG 3.38Å
629	R	87.5	Confident	85.8	Confident	72 Å²	72	54.1 Å²	54.1	27%	0.272	32%	0.316	S	S	.	.	H	α-helix	trans	-63.3	-46.5	174.8	-170.3	-167.8	154.6	159.8	-4.3	110.8	A620 L623 P624 G626 A631 L632 E633	A620-R629 HydrophobicContact CB-CG 3.78Å; L623-R629 HydrophobicContact CB-CB 4.14Å; L623-R629 HydrophobicContact CB-CG 4.16Å; L623-R629 HydrophobicContact CD1-CB 4.31Å; P624-R629 WeakPolarHBondContact O-CB 3.35Å; G626-R629 WeakPolarHBondContact O-CB 3.12Å; G626-R629 PolarHBondContact O-N 3.07Å; R629-A631 PolarHBondContact O-N 3.3Å; R629-L632 PolarHBondContact O-N 3.19Å; R629-E633 IonicContact CZ-OE1 3.17Å; R629-E633 VanDerWaalsContact CZ-OE1 3.24Å; R629-E633 IonicContact NE-OE1 2.96Å; R629-E633 PolarHBondContact NE-OE1 2.81Å; R629-E633 IonicContact NH2-OE1 3.68Å; R629-E633 PolarHBondContact NH2-OE1 2.99Å; R629-E633 WeakPolarHBondContact O-CG 3.3Å; R629-E633 PolarHBondContact O-N 3.33Å
630	E	87.4	Confident	85.1	Confident	100 Å²	100	57.4 Å²	57.4	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-41.7	174.5	-75.1	-170.3	-141.8	0	0	112.7	G626 P627 L632 E633 K634	G626-E630 PolarHBondContact O-N 2.95Å; P627-E630 PolarHBondContact O-N 3.43Å; E630-L632 VanDerWaalsContact C-N 3.31Å; E630-L632 PolarHBondContact O-N 2.83Å; E630-E633 PolarHBondContact O-N 2.84Å; E630-K634 VanDerWaalsContact O-CB 3.32Å; E630-K634 WeakPolarHBondContact O-CB 3.07Å; E630-K634 VanDerWaalsContact O-CD 3.31Å; E630-K634 WeakPolarHBondContact O-CD 3.5Å; E630-K634 WeakPolarHBondContact O-CG 3.46Å; E630-K634 PolarHBondContact O-N 2.92Å; E630-K634 WeakPolarHBondContact OE2-CE 3.15Å; E630-K634 IonicContact OE2-NZ 3.18Å; E630-K634 PolarHBondContact OE2-NZ 2.88Å
631	A	89	Confident	84.3	Confident	40 Å²	40	61.8 Å²	61.8	33%	0.331	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-40.3	178.7	0	0	0	0	0	111.3	P627 G628 R629 A635	P627-A631 WeakPolarHBondContact O-CB 3.3Å; P627-A631 PolarHBondContact O-N 2.82Å; G628-A631 PolarHBondContact O-N 2.85Å; R629-A631 PolarHBondContact O-N 3.3Å; A631-A635 VanDerWaalsContact O-CB 3.24Å; A631-A635 WeakPolarHBondContact O-CB 3.44Å; A631-A635 PolarHBondContact O-N 3.45Å
632	L	89.3	Confident	83.6	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.6	-47.1	173.3	-179.5	55.6	0	0	0	112.1	A620 L623 G628 R629 E630 K634 A635 L636 L663 I667 V703	A620-L632 HydrophobicContact CB-CD2 4.19Å; A620-L632 HydrophobicContact CB-CG 4.33Å; L623-L632 HydrophobicContact CD1-CB 4.4Å; L623-L632 HydrophobicContact CD1-CD2 3.75Å; G628-L632 PolarHBondContact O-N 3.3Å; R629-L632 PolarHBondContact O-N 3.19Å; E630-L632 VanDerWaalsContact C-N 3.31Å; E630-L632 PolarHBondContact O-N 2.83Å; L632-K634 VanDerWaalsContact C-N 3.33Å; L632-K634 PolarHBondContact O-N 2.85Å; L632-A635 PolarHBondContact O-N 3.49Å; L632-A635 VanDerWaalsContact O-N 3.15Å; L632-L636 HydrophobicContact CD1-CD1 3.97Å; L632-L636 HydrophobicContact CD1-CD2 4.27Å; L632-L636 HydrophobicContact CD1-CG 3.89Å; L632-L636 HydrophobicContact CG-CD1 3.95Å; L632-L636 HydrophobicContact CG-CG 4.33Å; L632-L636 VanDerWaalsContact O-CG 3.27Å; L632-L636 WeakPolarHBondContact O-CG 3.38Å; L632-L636 PolarHBondContact O-N 2.74Å; L632-L663 HydrophobicContact CB-CD2 4.41Å; L632-L663 HydrophobicContact CD1-CD1 4.39Å; L632-L663 HydrophobicContact CD1-CD2 4.42Å; L632-I667 HydrophobicContact CD1-CD1 3.93Å; L632-V703 HydrophobicContact CD1-CG2 3.45Å; L632-V703 VanDerWaalsContact CD1-CG2 3.45Å; L632-V703 HydrophobicContact CD2-CG2 3.99Å; L632-V703 HydrophobicContact CG-CG2 4.4Å
633	E	89.9	Confident	82.6	Confident	46 Å²	46	67.9 Å²	67.9	22%	0.215	36%	0.363	C	S	.	.	H	α-helix	trans	-59.1	-44.1	177.7	-71.2	177.8	176.2	0	0	111.5	P608 A620 R629 E630 L636 V637	P608-E633 HydrophobicContact CG-CB 3.83Å; P608-E633 HydrophobicContact CG-CG 3.98Å; A620-E633 HydrophobicContact CB-CG 3.42Å; A620-E633 VanDerWaalsContact CB-CG 3.42Å; R629-E633 IonicContact CZ-OE1 3.17Å; R629-E633 VanDerWaalsContact CZ-OE1 3.24Å; R629-E633 IonicContact NE-OE1 2.96Å; R629-E633 PolarHBondContact NE-OE1 2.81Å; R629-E633 IonicContact NH2-OE1 3.68Å; R629-E633 PolarHBondContact NH2-OE1 2.99Å; R629-E633 WeakPolarHBondContact O-CG 3.3Å; R629-E633 PolarHBondContact O-N 3.33Å; E630-E633 PolarHBondContact O-N 2.84Å; E633-L636 PolarHBondContact O-N 2.69Å; E633-V637 WeakPolarHBondContact O-CG2 3.17Å; E633-V637 PolarHBondContact O-N 3.29Å; E633-V637 VanDerWaalsContact O-N 3.09Å
634	K	89.4	Confident	81.2	Confident	114 Å²	114	78.1 Å²	78.1	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-43.8	173.7	-68.7	161.6	-166.6	168.8	0	111.7	E630 L632 V637 I638	E630-K634 VanDerWaalsContact O-CB 3.32Å; E630-K634 WeakPolarHBondContact O-CB 3.07Å; E630-K634 VanDerWaalsContact O-CD 3.31Å; E630-K634 WeakPolarHBondContact O-CD 3.5Å; E630-K634 WeakPolarHBondContact O-CG 3.46Å; E630-K634 PolarHBondContact O-N 2.92Å; E630-K634 WeakPolarHBondContact OE2-CE 3.15Å; E630-K634 IonicContact OE2-NZ 3.18Å; E630-K634 PolarHBondContact OE2-NZ 2.88Å; L632-K634 VanDerWaalsContact C-N 3.33Å; L632-K634 PolarHBondContact O-N 2.85Å; K634-V637 PolarHBondContact O-N 3.08Å; K634-I638 WeakPolarHBondContact O-CD1 3.33Å; K634-I638 VanDerWaalsContact O-CG1 3.26Å; K634-I638 WeakPolarHBondContact O-CG1 3.26Å; K634-I638 PolarHBondContact O-N 3.47Å
635	A	88.9	Confident	80.1	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-63.4	-40.8	177.8	0	0	0	0	0	112.8	A631 L632 Q639 L663 Q664 I667	A631-A635 VanDerWaalsContact O-CB 3.24Å; A631-A635 WeakPolarHBondContact O-CB 3.44Å; A631-A635 PolarHBondContact O-N 3.45Å; L632-A635 PolarHBondContact O-N 3.49Å; L632-A635 VanDerWaalsContact O-N 3.15Å; A635-Q639 VanDerWaalsContact O-CB 3.23Å; A635-Q639 WeakPolarHBondContact O-CB 3.47Å; A635-Q639 PolarHBondContact O-N 2.85Å; A635-L663 HydrophobicContact CB-CD2 4.19Å; A635-L663 HydrophobicContact CB-CG 4.38Å; A635-Q664 HydrophobicContact CB-CG 3.97Å; A635-I667 HydrophobicContact CB-CD1 3.78Å
636	L	88.6	Confident	79	Confident	1 Å²	1	83.7 Å²	83.7	1%	0.005	41%	0.41	C	S	.	.	H	α-helix	trans	-66.4	-43.3	178.2	-66.7	171.2	0	0	0	111.6	P608 L610 L618 L632 E633 Q639 E640 I667	P608-L636 HydrophobicContact CB-CB 4.14Å; P608-L636 VanDerWaalsContact O-CD1 3.28Å; P608-L636 WeakPolarHBondContact O-CD1 3.47Å; L610-L636 HydrophobicContact CB-CD2 4.21Å; L610-L636 HydrophobicContact CD1-CD2 3.66Å; L610-L636 HydrophobicContact CG-CD2 3.92Å; L618-L636 HydrophobicContact CB-CD2 3.99Å; L632-L636 HydrophobicContact CD1-CD1 3.97Å; L632-L636 HydrophobicContact CD1-CD2 4.27Å; L632-L636 HydrophobicContact CD1-CG 3.89Å; L632-L636 HydrophobicContact CG-CD1 3.95Å; L632-L636 HydrophobicContact CG-CG 4.33Å; L632-L636 VanDerWaalsContact O-CG 3.27Å; L632-L636 WeakPolarHBondContact O-CG 3.38Å; L632-L636 PolarHBondContact O-N 2.74Å; E633-L636 PolarHBondContact O-N 2.69Å; L636-Q639 PolarHBondContact O-N 2.88Å; L636-E640 PolarHBondContact O-N 3.49Å; L636-I667 HydrophobicContact CD2-CD1 4.26Å; L636-I667 HydrophobicContact CD2-CG2 4.45Å
637	V	86.4	Confident	78.4	Confident	84 Å²	84	86.8 Å²	86.8	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-63	-45.8	176.4	171.9	0	0	0	0	111.9	P608 E633 K634 Q639 E640 S641	P608-V637 HydrophobicContact CB-CG2 3.65Å; P608-V637 HydrophobicContact CG-CG2 3.89Å; E633-V637 WeakPolarHBondContact O-CG2 3.17Å; E633-V637 PolarHBondContact O-N 3.29Å; E633-V637 VanDerWaalsContact O-N 3.09Å; K634-V637 PolarHBondContact O-N 3.08Å; V637-Q639 VanDerWaalsContact C-N 3.33Å; V637-Q639 PolarHBondContact O-N 3.17Å; V637-E640 PolarHBondContact O-N 2.83Å; V637-S641 PolarHBondContact O-N 3.07Å
638	I	85.3	Confident	77.9	Confident	82 Å²	82	92.6 Å²	92.6	42%	0.421	43%	0.426	S	S	.	.	H	α-helix	trans	-58.2	-49.1	176.1	-69.2	164.5	0	0	0	109.9	K634 E640 S641 E642	K634-I638 WeakPolarHBondContact O-CD1 3.33Å; K634-I638 VanDerWaalsContact O-CG1 3.26Å; K634-I638 WeakPolarHBondContact O-CG1 3.26Å; K634-I638 PolarHBondContact O-N 3.47Å; I638-E640 VanDerWaalsContact C-N 3.33Å; I638-E640 PolarHBondContact O-N 2.74Å; I638-S641 PolarHBondContact O-N 2.74Å; I638-S641 VanDerWaalsContact O-N 3.08Å; I638-S641 PolarHBondContact O-OG 3.15Å; I638-E642 PolarHBondContact O-N 3.07Å; I638-E642 VanDerWaalsContact O-N 3.07Å
639	Q	81.5	Confident	77.9	Confident	30 Å²	30	93.5 Å²	93.5	14%	0.14	43%	0.426	C	S	.	.	H	α-helix	trans	-68.5	-27.8	-176.9	-174.7	68.2	8	0	0	113.5	L610 A635 L636 V637 I667 L668 L671	L610-Q639 HydrophobicContact CD1-CB 3.86Å; L610-Q639 HydrophobicContact CD1-CG 3.7Å; A635-Q639 VanDerWaalsContact O-CB 3.23Å; A635-Q639 WeakPolarHBondContact O-CB 3.47Å; A635-Q639 PolarHBondContact O-N 2.85Å; L636-Q639 PolarHBondContact O-N 2.88Å; V637-Q639 VanDerWaalsContact C-N 3.33Å; V637-Q639 PolarHBondContact O-N 3.17Å; Q639-I667 HydrophobicContact CB-CG2 4.46Å; Q639-I667 HydrophobicContact CG-CG2 3.9Å; Q639-L668 VanDerWaalsContact NE2-CD1 3.32Å; Q639-L671 HydrophobicContact CG-CD1 3.66Å; Q639-L671 VanDerWaalsContact NE2-CD1 3.35Å
640	E	75.3	Confident	77.8	Confident	85 Å²	85	95.1 Å²	95.1	40%	0.397	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-37.3	170.1	-174.9	149.4	-135.1	0	0	112	L610 L636 V637 I638 R643	L610-E640 HydrophobicContact CD2-CB 4Å; L610-E640 HydrophobicContact CD2-CG 4.47Å; L636-E640 PolarHBondContact O-N 3.49Å; V637-E640 PolarHBondContact O-N 2.83Å; I638-E640 VanDerWaalsContact C-N 3.33Å; I638-E640 PolarHBondContact O-N 2.74Å; E640-R643 WeakPolarHBondContact O-CG 3.1Å; E640-R643 IonicContact OE1-CZ 2.73Å; E640-R643 IonicContact OE1-NH2 2.82Å; E640-R643 PolarHBondContact OE1-NH2 3.26Å
641	S	72.7	Confident	77.6	Confident	96 Å²	96	92.9 Å²	92.9	67%	0.671	43%	0.431	S	S	*	.	H	α-helix	trans	-72.2	-35.8	177.9	78.8	0	0	0	0	113.6	V637 I638 R643	V637-S641 PolarHBondContact O-N 3.07Å; I638-S641 PolarHBondContact O-N 2.74Å; I638-S641 VanDerWaalsContact O-N 3.08Å; I638-S641 PolarHBondContact O-OG 3.15Å; S641-R643 VanDerWaalsContact C-N 3.26Å; S641-R643 PolarHBondContact O-N 3.32Å; S641-R643 VanDerWaalsContact O-N 3.16Å
642	E	71.5	Confident	77.4	Confident	101 Å²	101	95.5 Å²	95.5	47%	0.472	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	23.5	-175.8	-74.7	-144.9	-147.2	0	0	115.1	I638 R644 K645	I638-E642 PolarHBondContact O-N 3.07Å; I638-E642 VanDerWaalsContact O-N 3.07Å; E642-R644 PolarHBondContact O-N 3.17Å; E642-K645 IonicContact OE2-NZ 2.74Å; E642-K645 PolarHBondContact OE2-NZ 2.89Å
643	R	59.5	Low	77.5	Confident	166 Å²	166	99.4 Å²	99.4	63%	0.626	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	111	-170.1	-93.1	176.6	175.6	174.9	10.8	114.9	E640 S641	E640-R643 WeakPolarHBondContact O-CG 3.1Å; E640-R643 IonicContact OE1-CZ 2.73Å; E640-R643 IonicContact OE1-NH2 2.82Å; E640-R643 PolarHBondContact OE1-NH2 3.26Å; S641-R643 VanDerWaalsContact C-N 3.26Å; S641-R643 PolarHBondContact O-N 3.32Å; S641-R643 VanDerWaalsContact O-N 3.16Å
644	R	56.2	Low	77.6	Confident	230 Å²	230	97.3 Å²	97.3	87%	0.868	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	58.7	155.9	-53.3	179.7	176.3	-171.9	-1.7	118.4	E642	E642-R644 PolarHBondContact O-N 3.17Å
645	K	56.6	Low	77.7	Confident	141 Å²	141	92.5 Å²	92.5	61%	0.613	42%	0.419	S	S	*	.			trans	-72.8	122.9	144.8	-64.3	163.2	-171.6	150.9	0	108.3	E642 L647	E642-K645 IonicContact OE2-NZ 2.74Å; E642-K645 PolarHBondContact OE2-NZ 2.89Å; K645-L647 VanDerWaalsContact C-N 3.29Å; K645-L647 HydrophobicContact CB-CD1 3.66Å; K645-L647 PolarHBondContact O-N 3.44Å
646	K	55.8	Low	77.9	Confident	215 Å²	215	96.6 Å²	96.6	94%	0.935	44%	0.441	S	S	*	.			trans	-77.1	74.2	177	-74.4	-172.4	177.5	-178.7	0	111.5
647	L	67.5	Low	78.1	Confident	93 Å²	93	97 Å²	97	49%	0.487	44%	0.444	S	S	.	.			trans	-79.2	154.9	158.9	-72.5	85.1	0	0	0	108.5	K645 F649	K645-L647 VanDerWaalsContact C-N 3.29Å; K645-L647 HydrophobicContact CB-CD1 3.66Å; K645-L647 PolarHBondContact O-N 3.44Å; L647-F649 HydrophobicContact CB-CE1 4.24Å; L647-F649 HydrophobicContact CB-CE2 3.96Å; L647-F649 HydrophobicContact CB-CZ 3.67Å; L647-F649 HydrophobicContact CD2-CE1 4.25Å; L647-F649 HydrophobicContact CD2-CZ 4.16Å; L647-F649 HydrophobicContact CG-CZ 4.5Å
648	R	74.6	Confident	78.5	Confident	234 Å²	234	93 Å²	93	88%	0.883	42%	0.419	S	S	*	.			trans	-127.3	113.3	176.5	-178.8	-176.9	-173.6	174.6	3.5	107.9
649	F	83.3	Confident	78.8	Confident	33 Å²	33	93.3 Å²	93.3	15%	0.145	42%	0.418	C	S	.	.			trans	-89.4	150.3	-174.8	-56.5	-80.9	0	0	0	111.7	L647 L668 M669 D672 L674	L647-F649 HydrophobicContact CB-CE1 4.24Å; L647-F649 HydrophobicContact CB-CE2 3.96Å; L647-F649 HydrophobicContact CB-CZ 3.67Å; L647-F649 HydrophobicContact CD2-CE1 4.25Å; L647-F649 HydrophobicContact CD2-CZ 4.16Å; L647-F649 HydrophobicContact CG-CZ 4.5Å; F649-L668 HydrophobicContact CE2-CD2 4.33Å; F649-L668 HydrophobicContact CE2-CG 3.9Å; F649-L668 HydrophobicContact CZ-CD2 3.72Å; F649-L668 HydrophobicContact CZ-CG 3.79Å; F649-M669 HydrophobicContact CB-CG 4.07Å; F649-M669 HydrophobicContact CD1-CE 3.81Å; F649-M669 HydrophobicContact CD1-CG 3.87Å; F649-M669 HydrophobicContact CD1-SD 4.49Å; F649-M669 HydrophobicContact CD2-CB 4.5Å; F649-M669 HydrophobicContact CD2-CG 3.86Å; F649-M669 HydrophobicContact CE1-CE 4.2Å; F649-M669 HydrophobicContact CE1-CG 4.28Å; F649-M669 HydrophobicContact CE2-CG 4.27Å; F649-M669 HydrophobicContact CG-CE 4.43Å; F649-M669 HydrophobicContact CG-CG 3.64Å; F649-M669 HydrophobicContact CZ-CG 4.47Å; F649-D672 HydrophobicContact CD2-CB 4.03Å; F649-D672 HydrophobicContact CE2-CB 4.43Å; F649-D672 PolarHBondContact N-OD2 3.49Å; F649-L674 HydrophobicContact CB-CD1 3.9Å; F649-L674 HydrophobicContact CB-CD2 3.66Å; F649-L674 HydrophobicContact CB-CG 4.46Å
650	H	84.8	Confident	79.4	Confident	107 Å²	107	98 Å²	98	50%	0.495	44%	0.44	S	S	.	.			trans	-90	133.8	170.4	-176.4	-93.3	0	0	0	108.7	R652 Q653	H650-R652 PolarHBondContact O-N 2.97Å; H650-Q653 HydrophobicContact CB-CG 4.24Å; H650-Q653 VanDerWaalsContact O-CB 3.25Å; H650-Q653 WeakPolarHBondContact O-CB 3.2Å; H650-Q653 PolarHBondContact O-N 3.14Å
651	P	82.5	Confident	80.2	Confident	52 Å²	52	95.5 Å²	95.5	34%	0.338	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-37.5	-170.7	-32.5	36.9	0	0	0	115.7	Q653 L654 F678	P651-Q653 PolarHBondContact O-N 3.15Å; P651-L654 WeakPolarHBondContact O-CB 3.2Å; P651-L654 PolarHBondContact O-N 3.08Å; P651-L654 VanDerWaalsContact O-N 3.16Å; P651-F678 HydrophobicContact CB-CD1 4.3Å; P651-F678 HydrophobicContact CB-CD2 3.56Å; P651-F678 HydrophobicContact CB-CE1 4.33Å; P651-F678 HydrophobicContact CB-CE2 3.59Å; P651-F678 HydrophobicContact CB-CG 3.93Å; P651-F678 HydrophobicContact CB-CZ 3.99Å
652	R	86.4	Confident	81.2	Confident	95 Å²	95	93.3 Å²	93.3	36%	0.358	42%	0.416	S	S	.	.	H	α-helix	trans	-60.2	-24.7	175.3	-63.4	179.3	179.2	-160	-9.2	114.8	H650 L654 Y655 L656 F678	H650-R652 PolarHBondContact O-N 2.97Å; R652-L654 PolarHBondContact O-N 2.6Å; R652-Y655 PolarHBondContact O-N 3.06Å; R652-L656 WeakPolarHBondContact O-CG 3.38Å; R652-L656 PolarHBondContact O-N 3.14Å; R652-F678 HydrophobicContact CB-CE1 4.41Å; R652-F678 HydrophobicContact CG-CE1 3.81Å; R652-F678 HydrophobicContact CG-CZ 3.79Å
653	Q	90.6	Very high	82.2	Confident	83 Å²	83	89 Å²	89	39%	0.388	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-29.3	178.1	-67.4	174.2	-36.3	0	0	111.6	H650 P651 L656 S657 M669	H650-Q653 HydrophobicContact CB-CG 4.24Å; H650-Q653 VanDerWaalsContact O-CB 3.25Å; H650-Q653 WeakPolarHBondContact O-CB 3.2Å; H650-Q653 PolarHBondContact O-N 3.14Å; P651-Q653 PolarHBondContact O-N 3.15Å; Q653-L656 PolarHBondContact O-N 3.47Å; Q653-S657 WeakPolarHBondContact O-CB 3.49Å; Q653-S657 PolarHBondContact O-N 2.95Å; Q653-M669 HydrophobicContact CB-CE 3.8Å; Q653-M669 HydrophobicContact CB-SD 4.23Å
654	L	92.1	Very high	83.7	Confident	1 Å²	1	85.5 Å²	85.5	1%	0.005	39%	0.387	C	S	.	.	H	α-helix	trans	-61.2	-48.8	174.9	-179	60.4	0	0	0	110.9	P651 R652 L656 V658 V666 M669 L670 L674 P688	P651-L654 WeakPolarHBondContact O-CB 3.2Å; P651-L654 PolarHBondContact O-N 3.08Å; P651-L654 VanDerWaalsContact O-N 3.16Å; R652-L654 PolarHBondContact O-N 2.6Å; L654-L656 VanDerWaalsContact C-N 3.33Å; L654-L656 PolarHBondContact O-N 3.05Å; L654-V658 HydrophobicContact CD1-CG2 4.33Å; L654-V658 WeakPolarHBondContact O-CB 3.45Å; L654-V658 WeakPolarHBondContact O-CG2 3.42Å; L654-V658 PolarHBondContact O-N 3.36Å; L654-V666 HydrophobicContact CD1-CG1 4Å; L654-M669 VanDerWaalsContact CA-SD 3.54Å; L654-M669 HydrophobicContact CB-SD 4.1Å; L654-M669 HydrophobicContact CD1-CB 4.15Å; L654-M669 HydrophobicContact CD1-SD 4.25Å; L654-L670 HydrophobicContact CD2-CD2 4.17Å; L654-L674 HydrophobicContact CB-CD2 4.18Å; L654-L674 HydrophobicContact CD2-CB 4.25Å; L654-P688 HydrophobicContact CD2-CB 4.49Å; L654-P688 HydrophobicContact CD2-CG 3.92Å; L654-P688 HydrophobicContact CG-CB 4.26Å; L654-P688 HydrophobicContact CG-CG 3.92Å
655	Y	92.1	Very high	85.4	Confident	13 Å²	13	79.1 Å²	79.1	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-42.1	175.5	-174.5	-77.3	0	0	0	112.1	R652 V658 K659 Q683 R686 A691	R652-Y655 PolarHBondContact O-N 3.06Å; Y655-V658 PolarHBondContact O-N 2.93Å; Y655-K659 PolarHBondContact O-N 3.19Å; Y655-Q683 HydrophobicContact CD1-CG 4.44Å; Y655-Q683 HydrophobicContact CE1-CG 4.23Å; Y655-Q683 HydrophobicContact CE2-CB 4.33Å; Y655-R686 HydrophobicContact CE2-CB 3.93Å; Y655-R686 PolarHBondContact OH-NH1 2.85Å; Y655-R686 VanDerWaalsContact OH-NH1 3.09Å; Y655-A691 HydrophobicContact CD2-CB 4.21Å; Y655-A691 HydrophobicContact CE1-CB 4.22Å; Y655-A691 HydrophobicContact CE2-CB 3.88Å
656	L	92	Very high	87.1	Confident	87 Å²	87	72.4 Å²	72.4	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-69.5	-47.1	-178	-66.7	172.6	0	0	0	112.6	R652 Q653 L654 V658 K659 Q660	R652-L656 WeakPolarHBondContact O-CG 3.38Å; R652-L656 PolarHBondContact O-N 3.14Å; Q653-L656 PolarHBondContact O-N 3.47Å; L654-L656 VanDerWaalsContact C-N 3.33Å; L654-L656 PolarHBondContact O-N 3.05Å; L656-V658 VanDerWaalsContact C-N 3.26Å; L656-V658 PolarHBondContact O-N 3.09Å; L656-K659 PolarHBondContact O-N 3.17Å; L656-Q660 WeakPolarHBondContact O-CB 3.46Å; L656-Q660 WeakPolarHBondContact O-CG 3.23Å; L656-Q660 PolarHBondContact O-N 2.86Å
657	S	93.4	Very high	88.8	Confident	8 Å²	8	62.1 Å²	62.1	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-30.3	174.6	-79.8	0	0	0	0	112.2	Q653 Q660 G661 E662	Q653-S657 WeakPolarHBondContact O-CB 3.49Å; Q653-S657 PolarHBondContact O-N 2.95Å; S657-Q660 PolarHBondContact O-N 2.77Å; S657-G661 PolarHBondContact O-N 2.77Å; S657-G661 VanDerWaalsContact O-N 3.12Å; S657-E662 WeakPolarHBondContact CB-OE2 3.15Å; S657-E662 PolarHBondContact O-N 2.81Å; S657-E662 PolarHBondContact OG-OE2 2.74Å
658	V	94.7	Very high	89.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-47.6	170.1	169.2	0	0	0	0	111.9	L654 Y655 L656 Q660 G661 V666 P688 A691 A692 I700 L704	L654-V658 HydrophobicContact CD1-CG2 4.33Å; L654-V658 WeakPolarHBondContact O-CB 3.45Å; L654-V658 WeakPolarHBondContact O-CG2 3.42Å; L654-V658 PolarHBondContact O-N 3.36Å; Y655-V658 PolarHBondContact O-N 2.93Å; L656-V658 VanDerWaalsContact C-N 3.26Å; L656-V658 PolarHBondContact O-N 3.09Å; V658-Q660 PolarHBondContact O-N 2.77Å; V658-Q660 VanDerWaalsContact O-N 3.16Å; V658-G661 PolarHBondContact O-N 2.83Å; V658-V666 HydrophobicContact CG2-CG1 4.17Å; V658-V666 HydrophobicContact CG2-CG2 3.54Å; V658-P688 VanDerWaalsContact CG1-O 3.28Å; V658-P688 WeakPolarHBondContact CG1-O 3.35Å; V658-P688 HydrophobicContact CG2-CB 4.29Å; V658-A691 HydrophobicContact CG1-CB 3.9Å; V658-A692 HydrophobicContact CG1-CB 3.65Å; V658-A692 VanDerWaalsContact CG1-N 3.3Å; V658-I700 HydrophobicContact CB-CG2 4.38Å; V658-I700 HydrophobicContact CG1-CG2 3.88Å; V658-I700 HydrophobicContact CG2-CG2 3.82Å; V658-L704 HydrophobicContact CG1-CD1 4.48Å; V658-L704 HydrophobicContact CG2-CD1 4.23Å
659	K	91.8	Very high	90.6	Very high	89 Å²	89	49.4 Å²	49.4	39%	0.387	24%	0.241	S	C	.	.	H	α-helix	trans	-58.4	-28.6	174.9	-169.6	177.8	-179.2	-176.7	0	111.9	Y655 L656 A691	Y655-K659 PolarHBondContact O-N 3.19Å; L656-K659 PolarHBondContact O-N 3.17Å; K659-A691 HydrophobicContact CB-CB 4.44Å
660	Q	93.3	Very high	90.9	Very high	129 Å²	129	48.1 Å²	48.1	60%	0.603	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-6	176	-70.8	175.6	-15.4	0	0	114.7	L656 S657 V658 E662	L656-Q660 WeakPolarHBondContact O-CB 3.46Å; L656-Q660 WeakPolarHBondContact O-CG 3.23Å; L656-Q660 PolarHBondContact O-N 2.86Å; S657-Q660 PolarHBondContact O-N 2.77Å; V658-Q660 PolarHBondContact O-N 2.77Å; V658-Q660 VanDerWaalsContact O-N 3.16Å; Q660-E662 HydrophobicContact CB-CG 3.74Å; Q660-E662 PolarHBondContact OE1-OE2 3.45Å
661	G	92.9	Very high	91	Very high	33 Å²	33	45.3 Å²	45.3	34%	0.34	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	18.5	179.7	0	0	0	0	0	115.6	S657 V658 L663	S657-G661 PolarHBondContact O-N 2.77Å; S657-G661 VanDerWaalsContact O-N 3.12Å; V658-G661 PolarHBondContact O-N 2.83Å; G661-L663 VanDerWaalsContact C-N 3.33Å; G661-L663 PolarHBondContact O-N 2.9Å
662	E	94	Very high	91.2	Very high	49 Å²	49	46 Å²	46	23%	0.229	23%	0.225	C	C	.	.			trans	-83.4	64.6	-168.2	-54.1	-170.8	119.9	0	0	113.6	S657 Q660 Q664 K665 V666	S657-E662 WeakPolarHBondContact CB-OE2 3.15Å; S657-E662 PolarHBondContact O-N 2.81Å; S657-E662 PolarHBondContact OG-OE2 2.74Å; Q660-E662 HydrophobicContact CB-CG 3.74Å; Q660-E662 PolarHBondContact OE1-OE2 3.45Å; E662-Q664 VanDerWaalsContact C-N 3.31Å; E662-Q664 PolarHBondContact O-N 3.24Å; E662-Q664 VanDerWaalsContact O-N 3.09Å; E662-K665 HydrophobicContact CB-CB 4.1Å; E662-K665 HydrophobicContact CB-CD 4.45Å; E662-K665 HydrophobicContact CB-CG 4.23Å; E662-K665 VanDerWaalsContact CD-CE 3.46Å; E662-K665 WeakPolarHBondContact O-CA 3.41Å; E662-K665 PolarHBondContact O-N 2.8Å; E662-K665 WeakPolarHBondContact OE1-CE 3.42Å; E662-K665 IonicContact OE1-NZ 2.79Å; E662-K665 PolarHBondContact OE1-NZ 3.5Å; E662-K665 VanDerWaalsContact OE2-CD 3.27Å; E662-K665 WeakPolarHBondContact OE2-CD 3.31Å; E662-K665 VanDerWaalsContact OE2-CE 3.24Å; E662-K665 WeakPolarHBondContact OE2-CE 3.45Å; E662-K665 IonicContact OE2-NZ 3.48Å; E662-K665 PolarHBondContact OE2-NZ 2.96Å; E662-V666 PolarHBondContact O-N 3.45Å
663	L	92.5	Very high	91.2	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-43.7	-47.1	-173.1	-179.2	61.3	0	0	0	114.5	L632 A635 G661 K665 V666 I667 E699 I700 V703	L632-L663 HydrophobicContact CB-CD2 4.41Å; L632-L663 HydrophobicContact CD1-CD1 4.39Å; L632-L663 HydrophobicContact CD1-CD2 4.42Å; A635-L663 HydrophobicContact CB-CD2 4.19Å; A635-L663 HydrophobicContact CB-CG 4.38Å; G661-L663 VanDerWaalsContact C-N 3.33Å; G661-L663 PolarHBondContact O-N 2.9Å; L663-K665 PolarHBondContact O-N 3.28Å; L663-V666 WeakPolarHBondContact O-CB 3.43Å; L663-V666 PolarHBondContact O-N 3.39Å; L663-I667 HydrophobicContact CD1-CD1 4.07Å; L663-I667 HydrophobicContact CD1-CG1 4.35Å; L663-I667 HydrophobicContact CG-CD1 4.01Å; L663-I667 WeakPolarHBondContact O-CG1 3.2Å; L663-I667 PolarHBondContact O-N 3.2Å; L663-E699 HydrophobicContact CD1-CB 4.31Å; L663-E699 HydrophobicContact CD2-CB 4.08Å; L663-I700 HydrophobicContact CB-CD1 4.46Å; L663-I700 HydrophobicContact CB-CG1 4.21Å; L663-I700 HydrophobicContact CD1-CG1 3.74Å; L663-V703 HydrophobicContact CD1-CG2 4.14Å
664	Q	90.9	Very high	91.1	Very high	92 Å²	92	43 Å²	43	43%	0.43	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-38.1	179.4	-67.2	76.1	9.2	0	0	112.4	A635 E662 L668	A635-Q664 HydrophobicContact CB-CG 3.97Å; E662-Q664 VanDerWaalsContact C-N 3.31Å; E662-Q664 PolarHBondContact O-N 3.24Å; E662-Q664 VanDerWaalsContact O-N 3.09Å; Q664-L668 WeakPolarHBondContact O-CB 3.31Å; Q664-L668 PolarHBondContact O-N 2.81Å
665	K	90.5	Very high	91	Very high	95 Å²	95	47.1 Å²	47.1	41%	0.413	24%	0.241	S	C	.	.	H	α-helix	trans	-70.8	-37.1	175	-62.8	-161.3	-149	154.8	0	111.4	E662 L663 L668 M669	E662-K665 HydrophobicContact CB-CB 4.1Å; E662-K665 HydrophobicContact CB-CD 4.45Å; E662-K665 HydrophobicContact CB-CG 4.23Å; E662-K665 VanDerWaalsContact CD-CE 3.46Å; E662-K665 WeakPolarHBondContact O-CA 3.41Å; E662-K665 PolarHBondContact O-N 2.8Å; E662-K665 WeakPolarHBondContact OE1-CE 3.42Å; E662-K665 IonicContact OE1-NZ 2.79Å; E662-K665 PolarHBondContact OE1-NZ 3.5Å; E662-K665 VanDerWaalsContact OE2-CD 3.27Å; E662-K665 WeakPolarHBondContact OE2-CD 3.31Å; E662-K665 VanDerWaalsContact OE2-CE 3.24Å; E662-K665 WeakPolarHBondContact OE2-CE 3.45Å; E662-K665 IonicContact OE2-NZ 3.48Å; E662-K665 PolarHBondContact OE2-NZ 2.96Å; L663-K665 PolarHBondContact O-N 3.28Å; K665-L668 PolarHBondContact O-N 2.85Å; K665-M669 HydrophobicContact CB-CE 4.34Å; K665-M669 WeakPolarHBondContact O-CB 3.48Å; K665-M669 VanDerWaalsContact O-CG 3.25Å; K665-M669 WeakPolarHBondContact O-CG 3.44Å; K665-M669 PolarHBondContact O-N 3.41Å
666	V	92.6	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-49.2	174.5	176.6	0	0	0	0	110.5	L654 V658 E662 L663 L668 M669 L670 I700 V703 L704	L654-V666 HydrophobicContact CD1-CG1 4Å; V658-V666 HydrophobicContact CG2-CG1 4.17Å; V658-V666 HydrophobicContact CG2-CG2 3.54Å; E662-V666 PolarHBondContact O-N 3.45Å; L663-V666 WeakPolarHBondContact O-CB 3.43Å; L663-V666 PolarHBondContact O-N 3.39Å; V666-L668 PolarHBondContact O-N 3.28Å; V666-M669 PolarHBondContact O-N 2.78Å; V666-L670 HydrophobicContact CG1-CD1 3.9Å; V666-L670 VanDerWaalsContact O-CG 3.29Å; V666-L670 WeakPolarHBondContact O-CG 3.32Å; V666-L670 PolarHBondContact O-N 3.06Å; V666-I700 HydrophobicContact CG1-CG2 4.41Å; V666-V703 HydrophobicContact CG1-CG1 4.33Å; V666-L704 HydrophobicContact CG1-CD2 4.42Å
667	I	91.3	Very high	91.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-45.5	176.2	-64.1	164.3	0	0	0	110.9	L610 L618 L632 A635 L636 Q639 L663 M669 L670 L671 V703	L610-I667 HydrophobicContact CD1-CG2 4.08Å; L618-I667 HydrophobicContact CD1-CG1 4.33Å; L618-I667 HydrophobicContact CD1-CG2 3.97Å; L632-I667 HydrophobicContact CD1-CD1 3.93Å; A635-I667 HydrophobicContact CB-CD1 3.78Å; L636-I667 HydrophobicContact CD2-CD1 4.26Å; L636-I667 HydrophobicContact CD2-CG2 4.45Å; Q639-I667 HydrophobicContact CB-CG2 4.46Å; Q639-I667 HydrophobicContact CG-CG2 3.9Å; L663-I667 HydrophobicContact CD1-CD1 4.07Å; L663-I667 HydrophobicContact CD1-CG1 4.35Å; L663-I667 HydrophobicContact CG-CD1 4.01Å; L663-I667 WeakPolarHBondContact O-CG1 3.2Å; L663-I667 PolarHBondContact O-N 3.2Å; I667-M669 PolarHBondContact O-N 2.78Å; I667-L670 PolarHBondContact O-N 3.4Å; I667-L671 HydrophobicContact CG2-CD1 4Å; I667-L671 WeakPolarHBondContact O-CD1 3.34Å; I667-L671 WeakPolarHBondContact O-CG 3.18Å; I667-L671 PolarHBondContact O-N 3.41Å; I667-L671 VanDerWaalsContact O-N 3.08Å; I667-V703 HydrophobicContact CG1-CG1 4.07Å; I667-V703 HydrophobicContact CG1-CG2 4.44Å
668	L	89.3	Confident	90.9	Very high	54 Å²	54	46.9 Å²	46.9	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-37.6	177.5	175.5	62	0	0	0	113.1	Q639 F649 Q664 K665 V666 D672	Q639-L668 VanDerWaalsContact NE2-CD1 3.32Å; F649-L668 HydrophobicContact CE2-CD2 4.33Å; F649-L668 HydrophobicContact CE2-CG 3.9Å; F649-L668 HydrophobicContact CZ-CD2 3.72Å; F649-L668 HydrophobicContact CZ-CG 3.79Å; Q664-L668 WeakPolarHBondContact O-CB 3.31Å; Q664-L668 PolarHBondContact O-N 2.81Å; K665-L668 PolarHBondContact O-N 2.85Å; V666-L668 PolarHBondContact O-N 3.28Å; L668-D672 PolarHBondContact O-N 3.03Å
669	M	90.4	Very high	90.6	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-40.7	176.7	-75.1	178.2	-165.1	0	0	112.6	F649 Q653 L654 K665 V666 I667 L671 D672 L674	F649-M669 HydrophobicContact CB-CG 4.07Å; F649-M669 HydrophobicContact CD1-CE 3.81Å; F649-M669 HydrophobicContact CD1-CG 3.87Å; F649-M669 HydrophobicContact CD1-SD 4.49Å; F649-M669 HydrophobicContact CD2-CB 4.5Å; F649-M669 HydrophobicContact CD2-CG 3.86Å; F649-M669 HydrophobicContact CE1-CE 4.2Å; F649-M669 HydrophobicContact CE1-CG 4.28Å; F649-M669 HydrophobicContact CE2-CG 4.27Å; F649-M669 HydrophobicContact CG-CE 4.43Å; F649-M669 HydrophobicContact CG-CG 3.64Å; F649-M669 HydrophobicContact CZ-CG 4.47Å; Q653-M669 HydrophobicContact CB-CE 3.8Å; Q653-M669 HydrophobicContact CB-SD 4.23Å; L654-M669 VanDerWaalsContact CA-SD 3.54Å; L654-M669 HydrophobicContact CB-SD 4.1Å; L654-M669 HydrophobicContact CD1-CB 4.15Å; L654-M669 HydrophobicContact CD1-SD 4.25Å; K665-M669 HydrophobicContact CB-CE 4.34Å; K665-M669 WeakPolarHBondContact O-CB 3.48Å; K665-M669 VanDerWaalsContact O-CG 3.25Å; K665-M669 WeakPolarHBondContact O-CG 3.44Å; K665-M669 PolarHBondContact O-N 3.41Å; V666-M669 PolarHBondContact O-N 2.78Å; I667-M669 PolarHBondContact O-N 2.78Å; M669-L671 VanDerWaalsContact C-N 3.3Å; M669-L671 PolarHBondContact O-N 3.44Å; M669-D672 PolarHBondContact O-N 2.96Å; M669-D672 VanDerWaalsContact O-N 3.11Å; M669-L674 HydrophobicContact CB-CD2 4.19Å; M669-L674 HydrophobicContact CG-CD2 4.34Å; M669-L674 PolarHBondContact O-N 3.42Å; M669-L674 HydrophobicContact SD-CD2 4.46Å
670	L	90.1	Very high	90.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-34.6	176.9	-65.6	167.4	0	0	0	111.4	L612 L654 V666 I667 D672 N673 P676 V703 L704 A707	L612-L670 HydrophobicContact CD2-CB 3.92Å; L654-L670 HydrophobicContact CD2-CD2 4.17Å; V666-L670 HydrophobicContact CG1-CD1 3.9Å; V666-L670 VanDerWaalsContact O-CG 3.29Å; V666-L670 WeakPolarHBondContact O-CG 3.32Å; V666-L670 PolarHBondContact O-N 3.06Å; I667-L670 PolarHBondContact O-N 3.4Å; L670-D672 VanDerWaalsContact C-N 3.26Å; L670-D672 PolarHBondContact O-N 2.85Å; L670-N673 PolarHBondContact O-N 3.38Å; L670-N673 VanDerWaalsContact O-N 3.08Å; L670-P676 HydrophobicContact CD2-CB 4.01Å; L670-P676 HydrophobicContact CD2-CG 4.49Å; L670-V703 HydrophobicContact CD1-CG1 3.52Å; L670-L704 HydrophobicContact CD1-CD2 4.39Å; L670-L704 HydrophobicContact CD2-CD2 4.46Å; L670-A707 HydrophobicContact CD1-CB 3.98Å; L670-A707 HydrophobicContact CD2-CB 3.9Å; L670-A707 HydrophobicContact CG-CB 4.41Å
671	L	87.8	Confident	89.6	Confident	49 Å²	49	47.2 Å²	47.2	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-22	172.1	-73.4	163.3	0	0	0	113.9	L610 L612 Q639 I667 M669 N673	L610-L671 HydrophobicContact CD1-CD1 4.25Å; L612-L671 HydrophobicContact CD2-CD2 3.98Å; L612-L671 HydrophobicContact CD2-CG 4.11Å; Q639-L671 HydrophobicContact CG-CD1 3.66Å; Q639-L671 VanDerWaalsContact NE2-CD1 3.35Å; I667-L671 HydrophobicContact CG2-CD1 4Å; I667-L671 WeakPolarHBondContact O-CD1 3.34Å; I667-L671 WeakPolarHBondContact O-CG 3.18Å; I667-L671 PolarHBondContact O-N 3.41Å; I667-L671 VanDerWaalsContact O-N 3.08Å; M669-L671 VanDerWaalsContact C-N 3.3Å; M669-L671 PolarHBondContact O-N 3.44Å; L671-N673 VanDerWaalsContact C-N 3.26Å
672	D	86.7	Confident	89.1	Confident	65 Å²	65	52.8 Å²	52.8	35%	0.348	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	9	171.9	-162.3	40.2	0	0	0	112.6	F649 L668 M669 L670 L674	F649-D672 HydrophobicContact CD2-CB 4.03Å; F649-D672 HydrophobicContact CE2-CB 4.43Å; F649-D672 PolarHBondContact N-OD2 3.49Å; L668-D672 PolarHBondContact O-N 3.03Å; M669-D672 PolarHBondContact O-N 2.96Å; M669-D672 VanDerWaalsContact O-N 3.11Å; L670-D672 VanDerWaalsContact C-N 3.26Å; L670-D672 PolarHBondContact O-N 2.85Å; D672-L674 HydrophobicContact CB-CD1 4.14Å
673	N	85.4	Confident	88.5	Confident	101 Å²	101	52 Å²	52	54%	0.54	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	38	-175.9	-56	-81.3	0	0	0	115	P613 L670 L671	P613-N673 VanDerWaalsContact CB-OD1 3.25Å; P613-N673 WeakPolarHBondContact CB-OD1 3.37Å; P613-N673 WeakPolarHBondContact CG-OD1 3.3Å; L670-N673 PolarHBondContact O-N 3.38Å; L670-N673 VanDerWaalsContact O-N 3.08Å; L671-N673 VanDerWaalsContact C-N 3.26Å
674	L	89.8	Confident	88.3	Confident	15 Å²	15	52.3 Å²	52.3	8%	0.079	26%	0.264	C	S	.	.			trans	-71.8	133.1	163.2	-85.4	67.7	0	0	0	109.6	F649 L654 M669 D672 P676	F649-L674 HydrophobicContact CB-CD1 3.9Å; F649-L674 HydrophobicContact CB-CD2 3.66Å; F649-L674 HydrophobicContact CB-CG 4.46Å; L654-L674 HydrophobicContact CB-CD2 4.18Å; L654-L674 HydrophobicContact CD2-CB 4.25Å; M669-L674 HydrophobicContact CB-CD2 4.19Å; M669-L674 HydrophobicContact CG-CD2 4.34Å; M669-L674 PolarHBondContact O-N 3.42Å; M669-L674 HydrophobicContact SD-CD2 4.46Å; D672-L674 HydrophobicContact CB-CD1 4.14Å; L674-P676 WeakPolarHBondContact O-CD 3.48Å
675	D	90	Very high	88.2	Confident	87 Å²	87	52.2 Å²	52.2	47%	0.465	26%	0.262	S	S	.	.			trans	-70.2	119	-179.2	177.9	11.7	0	0	0	111	N677 F678	D675-N677 PolarHBondContact O-N 2.87Å; D675-N677 WeakPolarHBondContact OD1-CB 3.26Å; D675-N677 PolarHBondContact OD1-N 2.8Å; D675-N677 PolarHBondContact OD1-ND2 2.68Å; D675-F678 VanDerWaalsContact O-CB 3.32Å; D675-F678 WeakPolarHBondContact O-CB 3.4Å; D675-F678 PolarHBondContact O-N 3.47Å; D675-F678 VanDerWaalsContact O-N 3.11Å
676	P	92.3	Very high	88.3	Confident	7 Å²	7	49.1 Å²	49.1	5%	0.045	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.6	177	30.1	-36.6	0	0	0	113.3	L670 L674 P688 L704 A707 A709	L670-P676 HydrophobicContact CD2-CB 4.01Å; L670-P676 HydrophobicContact CD2-CG 4.49Å; L674-P676 WeakPolarHBondContact O-CD 3.48Å; P676-P688 WeakPolarHBondContact O-CD 3.47Å; P676-L704 HydrophobicContact CB-CD2 3.97Å; P676-A707 HydrophobicContact CB-CB 4.29Å; P676-A707 HydrophobicContact CG-CB 4.02Å; P676-A709 HydrophobicContact CB-CB 4.14Å
677	N	92.5	Very high	88.3	Confident	53 Å²	53	49.3 Å²	49.3	28%	0.283	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.6	174.6	-57.6	-81	0	0	0	113.4	D675 Q679 G708 A709 N710	D675-N677 PolarHBondContact O-N 2.87Å; D675-N677 WeakPolarHBondContact OD1-CB 3.26Å; D675-N677 PolarHBondContact OD1-N 2.8Å; D675-N677 PolarHBondContact OD1-ND2 2.68Å; N677-Q679 PolarHBondContact O-N 2.99Å; N677-Q679 VanDerWaalsContact O-N 3.14Å; N677-G708 PolarHBondContact ND2-O 3.22Å; N677-A709 WeakPolarHBondContact OD1-CA 3.37Å; N677-N710 PolarHBondContact OD1-N 2.68Å
678	F	90.1	Very high	88.5	Confident	44 Å²	44	49.3 Å²	49.3	19%	0.193	25%	0.248	C	C	.	.			trans	-52.7	120.9	179.5	174.7	-99.5	0	0	0	111.8	P651 R652 D675 P688	P651-F678 HydrophobicContact CB-CD1 4.3Å; P651-F678 HydrophobicContact CB-CD2 3.56Å; P651-F678 HydrophobicContact CB-CE1 4.33Å; P651-F678 HydrophobicContact CB-CE2 3.59Å; P651-F678 HydrophobicContact CB-CG 3.93Å; P651-F678 HydrophobicContact CB-CZ 3.99Å; R652-F678 HydrophobicContact CB-CE1 4.41Å; R652-F678 HydrophobicContact CG-CE1 3.81Å; R652-F678 HydrophobicContact CG-CZ 3.79Å; D675-F678 VanDerWaalsContact O-CB 3.32Å; D675-F678 WeakPolarHBondContact O-CB 3.4Å; D675-F678 PolarHBondContact O-N 3.47Å; D675-F678 VanDerWaalsContact O-N 3.11Å; F678-P688 WeakPolarHBondContact O-CD 3.43Å
679	Q	88	Confident	88.8	Confident	83 Å²	83	46.7 Å²	46.7	39%	0.388	24%	0.235	S	C	.	.			trans	-111.1	150.6	171.6	-66.2	-170.8	-27.5	0	0	109.9	N677 K685 T687 V714	N677-Q679 PolarHBondContact O-N 2.99Å; N677-Q679 VanDerWaalsContact O-N 3.14Å; Q679-K685 HydrophobicContact CB-CB 4.42Å; Q679-K685 WeakPolarHBondContact CG-O 3.43Å; Q679-K685 PolarHBondContact NE2-O 3.41Å; Q679-T687 HydrophobicContact CG-CG2 3.69Å; Q679-V714 PolarHBondContact NE2-O 3.03Å
680	S	82.1	Confident	89	Confident	13 Å²	13	46.5 Å²	46.5	9%	0.091	23%	0.234	C	C	.	.			trans	-139.3	142.3	165.7	81.4	0	0	0	0	111.9	Q682 Q683 K685	S680-Q682 PolarHBondContact O-N 2.68Å; S680-Q683 CarbonylContact O-C 3.45Å; S680-Q683 PolarHBondContact O-N 3.36Å; S680-Q683 PolarHBondContact OG-OE1 2.77Å; S680-K685 WeakPolarHBondContact O-CA 3.41Å; S680-K685 PolarHBondContact O-N 3.32Å
681	D	82.6	Confident	89.3	Confident	129 Å²	129	46.2 Å²	46.2	69%	0.69	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-64.3	-29	-178.6	-56.8	-72.2	0	0	0	112.2	Q683 S684 K685	D681-Q683 PolarHBondContact O-N 2.94Å; D681-S684 PolarHBondContact O-N 3.22Å; D681-S684 VanDerWaalsContact O-N 3.16Å; D681-K685 WeakPolarHBondContact OD1-CE 3.36Å
682	Q	81.9	Confident	89.7	Confident	150 Å²	150	43.9 Å²	43.9	70%	0.701	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-68	-8.9	171.8	-74.7	-173.8	-20.1	0	0	114.2	S680	S680-Q682 PolarHBondContact O-N 2.68Å
683	Q	82.3	Confident	90.1	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.154	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-118.3	28.5	174.8	-70.4	163.7	-34	0	0	110.2	Y655 S680 D681 K685 R686	Y655-Q683 HydrophobicContact CD1-CG 4.44Å; Y655-Q683 HydrophobicContact CE1-CG 4.23Å; Y655-Q683 HydrophobicContact CE2-CB 4.33Å; S680-Q683 CarbonylContact O-C 3.45Å; S680-Q683 PolarHBondContact O-N 3.36Å; S680-Q683 PolarHBondContact OG-OE1 2.77Å; D681-Q683 PolarHBondContact O-N 2.94Å; Q683-K685 PolarHBondContact O-N 2.86Å; Q683-K685 VanDerWaalsContact O-N 3.09Å; Q683-R686 VanDerWaalsContact O-CB 3.27Å; Q683-R686 WeakPolarHBondContact O-CB 3.42Å; Q683-R686 WeakPolarHBondContact O-CG 3.22Å; Q683-R686 PolarHBondContact O-N 2.97Å
684	S	87.4	Confident	90.6	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.119	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	31.8	-177	-150.5	0	0	0	0	113.3	D681 R686 K716 Q717	D681-S684 PolarHBondContact O-N 3.22Å; D681-S684 VanDerWaalsContact O-N 3.16Å; S684-R686 PolarHBondContact O-N 3.08Å; S684-R686 VanDerWaalsContact O-N 3.14Å; S684-K716 WeakPolarHBondContact O-CB 3.36Å; S684-K716 PolarHBondContact O-N 2.83Å; S684-K716 WeakPolarHBondContact OG-CB 3.4Å; S684-K716 VanDerWaalsContact OG-CD 3.26Å; S684-K716 WeakPolarHBondContact OG-CD 3.28Å; S684-Q717 PolarHBondContact OG-NE2 3.02Å; S684-Q717 PolarHBondContact OG-OE1 2.96Å
685	K	88.5	Confident	90.8	Very high	90 Å²	90	43.8 Å²	43.8	39%	0.391	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	11.8	-172.2	-55.9	-176.8	177.5	-179.7	0	115.9	Q679 S680 D681 Q683 T687	Q679-K685 HydrophobicContact CB-CB 4.42Å; Q679-K685 WeakPolarHBondContact CG-O 3.43Å; Q679-K685 PolarHBondContact NE2-O 3.41Å; S680-K685 WeakPolarHBondContact O-CA 3.41Å; S680-K685 PolarHBondContact O-N 3.32Å; D681-K685 WeakPolarHBondContact OD1-CE 3.36Å; Q683-K685 PolarHBondContact O-N 2.86Å; Q683-K685 VanDerWaalsContact O-N 3.09Å; K685-T687 PolarHBondContact O-N 2.79Å
686	R	92.2	Very high	91.1	Very high	31 Å²	31	40.8 Å²	40.8	12%	0.117	20%	0.202	C	C	.	.			trans	-60.3	136.2	173.1	-63.6	173.2	83.7	-141.8	7	109.7	Y655 Q683 S684 H690 D715 E724	Y655-R686 HydrophobicContact CE2-CB 3.93Å; Y655-R686 PolarHBondContact OH-NH1 2.85Å; Y655-R686 VanDerWaalsContact OH-NH1 3.09Å; Q683-R686 VanDerWaalsContact O-CB 3.27Å; Q683-R686 WeakPolarHBondContact O-CB 3.42Å; Q683-R686 WeakPolarHBondContact O-CG 3.22Å; Q683-R686 PolarHBondContact O-N 2.97Å; S684-R686 PolarHBondContact O-N 3.08Å; S684-R686 VanDerWaalsContact O-N 3.14Å; R686-H690 HydrophobicContact CB-CB 3.96Å; R686-H690 HydrophobicContact CG-CB 4.42Å; R686-D715 HydrophobicContact CB-CB 4.29Å; R686-D715 HydrophobicContact CG-CB 3.54Å; R686-E724 IonicContact CZ-OE1 2.8Å; R686-E724 IonicContact CZ-OE2 3.24Å; R686-E724 IonicContact NE-OE1 2.6Å; R686-E724 PolarHBondContact NE-OE1 3.27Å; R686-E724 IonicContact NH2-OE1 3.4Å; R686-E724 PolarHBondContact NH2-OE1 3.04Å; R686-E724 IonicContact NH2-OE2 2.8Å; R686-E724 PolarHBondContact NH2-OE2 2.54Å
687	T	93.8	Very high	91.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.018	21%	0.205	C	C	.	.			trans	-85.4	165.4	174.8	63.7	0	0	0	0	110.7	Q679 K685 L689 H690 A691 A713	Q679-T687 HydrophobicContact CG-CG2 3.69Å; K685-T687 PolarHBondContact O-N 2.79Å; T687-L689 PolarHBondContact O-N 2.74Å; T687-L689 VanDerWaalsContact O-N 3.12Å; T687-L689 PolarHBondContact OG1-N 3.42Å; T687-H690 PolarHBondContact N-ND1 3.17Å; T687-H690 WeakPolarHBondContact O-CB 3.33Å; T687-H690 PolarHBondContact O-N 3.5Å; T687-H690 PolarHBondContact OG1-ND1 2.77Å; T687-A691 PolarHBondContact O-N 2.74Å; T687-A713 HydrophobicContact CG2-CB 3.9Å
688	P	94.7	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-46.5	-36.8	165.7	-31.2	34.4	0	0	0	113.6	L654 V658 P676 F678 H690 A691 A692 L704	L654-P688 HydrophobicContact CD2-CB 4.49Å; L654-P688 HydrophobicContact CD2-CG 3.92Å; L654-P688 HydrophobicContact CG-CB 4.26Å; L654-P688 HydrophobicContact CG-CG 3.92Å; V658-P688 VanDerWaalsContact CG1-O 3.28Å; V658-P688 WeakPolarHBondContact CG1-O 3.35Å; V658-P688 HydrophobicContact CG2-CB 4.29Å; P676-P688 WeakPolarHBondContact O-CD 3.47Å; F678-P688 WeakPolarHBondContact O-CD 3.43Å; P688-H690 VanDerWaalsContact C-N 3.34Å; P688-H690 PolarHBondContact O-N 3.07Å; P688-A691 PolarHBondContact O-N 2.58Å; P688-A692 PolarHBondContact O-N 3.25Å; P688-L704 HydrophobicContact CB-CD1 3.97Å; P688-L704 HydrophobicContact CB-CD2 4.01Å
689	L	96.1	Very high	91.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.4	-30.3	179.8	-169	61.3	0	0	0	113.3	T687 A692 A693 C701 L704 L705 A709 P721 M737	T687-L689 PolarHBondContact O-N 2.74Å; T687-L689 VanDerWaalsContact O-N 3.12Å; T687-L689 PolarHBondContact OG1-N 3.42Å; L689-A692 PolarHBondContact O-N 3.17Å; L689-A693 WeakPolarHBondContact O-CB 3.39Å; L689-A693 PolarHBondContact O-N 2.79Å; L689-C701 HydrophobicContact CD1-CB 4.03Å; L689-L704 HydrophobicContact CB-CD1 4.42Å; L689-L704 HydrophobicContact CD1-CB 4.16Å; L689-L704 HydrophobicContact CD1-CD1 4.25Å; L689-L705 HydrophobicContact CD1-CG 4.42Å; L689-L705 HydrophobicContact CD2-CD2 3.73Å; L689-L705 HydrophobicContact CD2-CG 4.32Å; L689-A709 HydrophobicContact CB-CB 4.37Å; L689-A709 HydrophobicContact CD2-CB 4.05Å; L689-P721 HydrophobicContact CB-CG 4.13Å; L689-P721 HydrophobicContact CD2-CB 4.24Å; L689-P721 HydrophobicContact CD2-CG 3.97Å; L689-P721 HydrophobicContact CG-CB 3.87Å; L689-P721 HydrophobicContact CG-CG 3.85Å; L689-M737 HydrophobicContact CD1-CE 3.91Å; L689-M737 HydrophobicContact CG-CE 4.14Å
690	H	95.5	Very high	91.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.5	-42.3	171.3	-66.7	69.8	0	0	0	111	R686 T687 P688 A692 A693 Q694 A713 D715 R719 E724	R686-H690 HydrophobicContact CB-CB 3.96Å; R686-H690 HydrophobicContact CG-CB 4.42Å; T687-H690 PolarHBondContact N-ND1 3.17Å; T687-H690 WeakPolarHBondContact O-CB 3.33Å; T687-H690 PolarHBondContact O-N 3.5Å; T687-H690 PolarHBondContact OG1-ND1 2.77Å; P688-H690 VanDerWaalsContact C-N 3.34Å; P688-H690 PolarHBondContact O-N 3.07Å; H690-A692 VanDerWaalsContact C-N 3.35Å; H690-A693 PolarHBondContact O-N 3.24Å; H690-Q694 WeakPolarHBondContact O-CB 3.36Å; H690-Q694 PolarHBondContact O-N 3.32Å; H690-A713 PolarHBondContact CE1-O 2.79Å; H690-D715 PolarHBondContact NE2-N 2.83Å; H690-R719 PolarHBondContact NE2-O 3.24Å; H690-R719 VanDerWaalsContact NE2-O 3.16Å; H690-E724 HydrophobicContact CB-CG 4.25Å; H690-E724 IonicContact CD2-OE1 3.19Å
691	A	94.7	Very high	92.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-67.7	-33.8	177	0	0	0	0	0	112.5	Y655 V658 K659 T687 P688 K695	Y655-A691 HydrophobicContact CD2-CB 4.21Å; Y655-A691 HydrophobicContact CE1-CB 4.22Å; Y655-A691 HydrophobicContact CE2-CB 3.88Å; V658-A691 HydrophobicContact CG1-CB 3.9Å; K659-A691 HydrophobicContact CB-CB 4.44Å; T687-A691 PolarHBondContact O-N 2.74Å; P688-A691 PolarHBondContact O-N 2.58Å; A691-K695 VanDerWaalsContact O-CB 3.23Å; A691-K695 WeakPolarHBondContact O-CB 3.5Å; A691-K695 PolarHBondContact O-N 2.95Å; A691-K695 VanDerWaalsContact O-N 3.13Å
692	A	96.3	Very high	93.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.4	-40.8	174	0	0	0	0	0	111.7	V658 P688 L689 H690 K695 G696 S697 I700 C701 L704	V658-A692 HydrophobicContact CG1-CB 3.65Å; V658-A692 VanDerWaalsContact CG1-N 3.3Å; P688-A692 PolarHBondContact O-N 3.25Å; L689-A692 PolarHBondContact O-N 3.17Å; H690-A692 VanDerWaalsContact C-N 3.35Å; A692-K695 PolarHBondContact O-N 2.92Å; A692-G696 PolarHBondContact O-N 3.3Å; A692-S697 PolarHBondContact O-N 3.38Å; A692-I700 HydrophobicContact CB-CB 4.34Å; A692-I700 HydrophobicContact CB-CG2 3.76Å; A692-C701 VanDerWaalsContact CB-SG 3.51Å; A692-L704 HydrophobicContact CB-CD1 3.89Å
693	A	96.7	Very high	93.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-52.2	176.8	0	0	0	0	0	112.5	L689 H690 K695 G696 P721 E724 A725 H730 V733 M737	L689-A693 WeakPolarHBondContact O-CB 3.39Å; L689-A693 PolarHBondContact O-N 2.79Å; H690-A693 PolarHBondContact O-N 3.24Å; A693-K695 PolarHBondContact O-N 3.44Å; A693-K695 VanDerWaalsContact O-N 3.15Å; A693-G696 PolarHBondContact O-N 2.73Å; A693-P721 HydrophobicContact CB-CB 4.16Å; A693-P721 WeakPolarHBondContact CB-O 3.34Å; A693-E724 HydrophobicContact CB-CB 3.95Å; A693-A725 HydrophobicContact CB-CB 4.23Å; A693-H730 PolarHBondContact O-CD2 3.1Å; A693-V733 HydrophobicContact CB-CG1 4.45Å; A693-M737 HydrophobicContact CB-CE 3.83Å
694	Q	95.5	Very high	94.3	Very high	60 Å²	60	20.4 Å²	20.4	28%	0.28	10%	0.103	S	C	.	.	H	α-helix	trans	-54.9	-32.2	174.1	174.8	167.9	41.1	0	0	112.3	H690 H730	H690-Q694 WeakPolarHBondContact O-CB 3.36Å; H690-Q694 PolarHBondContact O-N 3.32Å; Q694-H730 PolarHBondContact O-NE2 3.04Å
695	K	94.5	Very high	94.6	Very high	118 Å²	118	21.2 Å²	21.2	51%	0.513	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.5	-179.1	-173.9	51.5	-164.3	159.3	0	114.5	A691 A692 A693	A691-K695 VanDerWaalsContact O-CB 3.23Å; A691-K695 WeakPolarHBondContact O-CB 3.5Å; A691-K695 PolarHBondContact O-N 2.95Å; A691-K695 VanDerWaalsContact O-N 3.13Å; A692-K695 PolarHBondContact O-N 2.92Å; A693-K695 PolarHBondContact O-N 3.44Å; A693-K695 VanDerWaalsContact O-N 3.15Å
696	G	94.7	Very high	94.8	Very high	24 Å²	24	18.8 Å²	18.8	25%	0.247	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	8.7	178.4	0	0	0	0	0	116	A692 A693 V698 H730 V733	A692-G696 PolarHBondContact O-N 3.3Å; A693-G696 PolarHBondContact O-N 2.73Å; G696-V698 PolarHBondContact O-N 3.34Å; G696-H730 VanDerWaalsContact CA-CG 3.43Å; G696-H730 WeakPolarHBondContact CA-ND1 3.32Å; G696-V733 VanDerWaalsContact C-CG2 3.44Å; G696-V733 WeakPolarHBondContact O-CG2 3.46Å
697	S	95.1	Very high	94.8	Very high	16 Å²	16	17.5 Å²	17.5	11%	0.112	9%	0.091	C	C	.	.			trans	-88.9	101.4	-176.5	174.6	0	0	0	0	112.1	A692 E699 I700 C701	A692-S697 PolarHBondContact O-N 3.38Å; S697-E699 WeakPolarHBondContact CB-OE2 3.38Å; S697-E699 PolarHBondContact O-N 3.36Å; S697-E699 PolarHBondContact OG-OE2 2.83Å; S697-I700 PolarHBondContact O-N 2.89Å; S697-I700 WeakPolarHBondContact OG-CB 3.26Å; S697-I700 VanDerWaalsContact OG-CG1 3.27Å; S697-I700 WeakPolarHBondContact OG-CG1 3.33Å; S697-I700 PolarHBondContact OG-N 3.15Å; S697-I700 VanDerWaalsContact OG-N 3.17Å; S697-C701 WeakPolarHBondContact O-CB 3.08Å; S697-C701 PolarHBondContact O-N 2.94Å; S697-C701 PolarHBondContact O-SG 3.31Å
698	V	94.7	Very high	94.7	Very high	23 Å²	23	19.5 Å²	19.5	14%	0.139	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-35.4	174.8	-171.1	0	0	0	0	110.9	L623 G696 C701 H702 E732 V733 Y736	L623-V698 HydrophobicContact CD2-CG1 3.75Å; G696-V698 PolarHBondContact O-N 3.34Å; V698-C701 PolarHBondContact O-N 3.43Å; V698-H702 VanDerWaalsContact O-CB 3.23Å; V698-H702 WeakPolarHBondContact O-CB 3.38Å; V698-H702 PolarHBondContact O-N 3.45Å; V698-E732 HydrophobicContact CG2-CB 4.3Å; V698-V733 HydrophobicContact CG2-CG2 3.73Å; V698-Y736 HydrophobicContact CG1-CD1 3.91Å; V698-Y736 HydrophobicContact CG1-CD2 4.18Å; V698-Y736 HydrophobicContact CG1-CG 3.71Å
699	E	94	Very high	94.7	Very high	45 Å²	45	20 Å²	20	21%	0.21	12%	0.117	C	C	.	.	H	α-helix	trans	-67.4	-45.9	-177.6	-44.4	70.6	-154.1	0	0	111.3	G628 L663 S697 H702 V703	G628-E699 VanDerWaalsContact CA-CG 3.41Å; G628-E699 WeakPolarHBondContact CA-OE1 3.03Å; G628-E699 VanDerWaalsContact O-CG 3.27Å; G628-E699 WeakPolarHBondContact O-CG 3.38Å; L663-E699 HydrophobicContact CD1-CB 4.31Å; L663-E699 HydrophobicContact CD2-CB 4.08Å; S697-E699 WeakPolarHBondContact CB-OE2 3.38Å; S697-E699 PolarHBondContact O-N 3.36Å; S697-E699 PolarHBondContact OG-OE2 2.83Å; E699-H702 PolarHBondContact O-N 3.1Å; E699-V703 WeakPolarHBondContact O-CB 3.48Å; E699-V703 WeakPolarHBondContact O-CG2 3.38Å; E699-V703 PolarHBondContact O-N 2.7Å
700	I	95.4	Very high	94.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.7	-39.2	177.8	-66.1	173.2	0	0	0	109.9	V658 L663 V666 A692 S697 H702 V703 L704	V658-I700 HydrophobicContact CB-CG2 4.38Å; V658-I700 HydrophobicContact CG1-CG2 3.88Å; V658-I700 HydrophobicContact CG2-CG2 3.82Å; L663-I700 HydrophobicContact CB-CD1 4.46Å; L663-I700 HydrophobicContact CB-CG1 4.21Å; L663-I700 HydrophobicContact CD1-CG1 3.74Å; V666-I700 HydrophobicContact CG1-CG2 4.41Å; A692-I700 HydrophobicContact CB-CB 4.34Å; A692-I700 HydrophobicContact CB-CG2 3.76Å; S697-I700 PolarHBondContact O-N 2.89Å; S697-I700 WeakPolarHBondContact OG-CB 3.26Å; S697-I700 VanDerWaalsContact OG-CG1 3.27Å; S697-I700 WeakPolarHBondContact OG-CG1 3.33Å; S697-I700 PolarHBondContact OG-N 3.15Å; S697-I700 VanDerWaalsContact OG-N 3.17Å; I700-H702 VanDerWaalsContact C-N 3.32Å; I700-H702 PolarHBondContact O-N 3.44Å; I700-V703 PolarHBondContact O-N 3.02Å; I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.25Å; I700-L704 WeakPolarHBondContact O-CB 3.31Å; I700-L704 VanDerWaalsContact O-CG 3.24Å; I700-L704 WeakPolarHBondContact O-CG 3.33Å; I700-L704 PolarHBondContact O-N 2.7Å
701	C	95.8	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-45.6	171.3	-68.8	0	0	0	0	111.5	L689 A692 S697 V698 L704 L705 Y736 M737	L689-C701 HydrophobicContact CD1-CB 4.03Å; A692-C701 VanDerWaalsContact CB-SG 3.51Å; S697-C701 WeakPolarHBondContact O-CB 3.08Å; S697-C701 PolarHBondContact O-N 2.94Å; S697-C701 PolarHBondContact O-SG 3.31Å; V698-C701 PolarHBondContact O-N 3.43Å; C701-L704 PolarHBondContact O-N 2.74Å; C701-L705 WeakPolarHBondContact O-CB 3.26Å; C701-L705 VanDerWaalsContact O-CG 3.25Å; C701-L705 WeakPolarHBondContact O-CG 3.35Å; C701-L705 PolarHBondContact O-N 2.95Å; C701-Y736 HydrophobicContact CB-CD1 4.45Å; C701-Y736 HydrophobicContact CB-CE1 4.26Å; C701-M737 HydrophobicContact CB-CE 4.09Å; C701-M737 VanDerWaalsContact SG-CE 3.51Å
702	H	94.9	Very high	94.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-45.7	178.8	177.5	100.9	0	0	0	112.9	S619 A620 V621 G622 L623 V698 E699 I700 L705 Q706 Y736 R740	S619-H702 CovalentContact O-NE2 1.77Å; S619-H702 PolarHBondContact O-NE2 3.01Å; A620-H702 WeakPolarHBondContact CA-NE2 3.3Å; V621-H702 PolarHBondContact O-CE1 3Å; G622-H702 WeakPolarHBondContact CA-CE1 3.17Å; G622-H702 PolarHBondContact N-CE1 2.94Å; G622-H702 PolarHBondContact O-CE1 3.48Å; L623-H702 HydrophobicContact CD2-CB 3.7Å; L623-H702 HydrophobicContact CG-CB 4.26Å; L623-H702 PolarHBondContact N-CE1 2.89Å; V698-H702 VanDerWaalsContact O-CB 3.23Å; V698-H702 WeakPolarHBondContact O-CB 3.38Å; V698-H702 PolarHBondContact O-N 3.45Å; E699-H702 PolarHBondContact O-N 3.1Å; I700-H702 VanDerWaalsContact C-N 3.32Å; I700-H702 PolarHBondContact O-N 3.44Å; H702-L705 PolarHBondContact O-N 2.79Å; H702-Q706 PolarHBondContact CD2-OE1 2.87Å; H702-Q706 PolarHBondContact NE2-NE2 2.92Å; H702-Q706 PolarHBondContact NE2-OE1 2.92Å; H702-Q706 VanDerWaalsContact NE2-OE1 3.11Å; H702-Q706 WeakPolarHBondContact O-CB 3.28Å; H702-Q706 WeakPolarHBondContact O-CG 3.18Å; H702-Q706 PolarHBondContact O-N 3.15Å; H702-Y736 WeakPolarHBondContact CA-OH 3.29Å; H702-Y736 HydrophobicContact CB-CE1 4.05Å; H702-Y736 WeakPolarHBondContact CB-OH 3.45Å; H702-Y736 AromaticContact ND1-CE2 3.84Å; H702-Y736 AromaticContact ND1-CZ 3.63Å; H702-Y736 PolarHBondContact ND1-OH 3.46Å; H702-R740 PolarHBondContact CE1-NH2 3.27Å; H702-R740 PolarHBondContact ND1-NH2 3.13Å
703	V	94.2	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-41.7	175.4	162.9	0	0	0	0	112.2	L618 L632 L663 V666 I667 L670 E699 I700 Q706 A707	L618-V703 HydrophobicContact CD1-CG1 4.02Å; L618-V703 HydrophobicContact CD2-CB 4.38Å; L618-V703 HydrophobicContact CD2-CG1 3.92Å; L618-V703 WeakPolarHBondContact CD2-O 3.19Å; L632-V703 HydrophobicContact CD1-CG2 3.45Å; L632-V703 VanDerWaalsContact CD1-CG2 3.45Å; L632-V703 HydrophobicContact CD2-CG2 3.99Å; L632-V703 HydrophobicContact CG-CG2 4.4Å; L663-V703 HydrophobicContact CD1-CG2 4.14Å; V666-V703 HydrophobicContact CG1-CG1 4.33Å; I667-V703 HydrophobicContact CG1-CG1 4.07Å; I667-V703 HydrophobicContact CG1-CG2 4.44Å; L670-V703 HydrophobicContact CD1-CG1 3.52Å; E699-V703 WeakPolarHBondContact O-CB 3.48Å; E699-V703 WeakPolarHBondContact O-CG2 3.38Å; E699-V703 PolarHBondContact O-N 2.7Å; I700-V703 PolarHBondContact O-N 3.02Å; V703-Q706 PolarHBondContact O-N 3.45Å; V703-A707 WeakPolarHBondContact O-CB 3.2Å; V703-A707 PolarHBondContact O-N 3.09Å
704	L	94.8	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-42	176.5	-73.5	171.1	0	0	0	111.9	V658 V666 L670 P676 P688 L689 A692 I700 C701 A707 G708 A709	V658-L704 HydrophobicContact CG1-CD1 4.48Å; V658-L704 HydrophobicContact CG2-CD1 4.23Å; V666-L704 HydrophobicContact CG1-CD2 4.42Å; L670-L704 HydrophobicContact CD1-CD2 4.39Å; L670-L704 HydrophobicContact CD2-CD2 4.46Å; P676-L704 HydrophobicContact CB-CD2 3.97Å; P688-L704 HydrophobicContact CB-CD1 3.97Å; P688-L704 HydrophobicContact CB-CD2 4.01Å; L689-L704 HydrophobicContact CB-CD1 4.42Å; L689-L704 HydrophobicContact CD1-CB 4.16Å; L689-L704 HydrophobicContact CD1-CD1 4.25Å; A692-L704 HydrophobicContact CB-CD1 3.89Å; I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.25Å; I700-L704 WeakPolarHBondContact O-CB 3.31Å; I700-L704 VanDerWaalsContact O-CG 3.24Å; I700-L704 WeakPolarHBondContact O-CG 3.33Å; I700-L704 PolarHBondContact O-N 2.7Å; C701-L704 PolarHBondContact O-N 2.74Å; L704-A707 PolarHBondContact O-N 2.86Å; L704-G708 PolarHBondContact O-N 3.48Å; L704-A709 HydrophobicContact CB-CB 4.08Å; L704-A709 WeakPolarHBondContact O-CB 3.26Å; L704-A709 PolarHBondContact O-N 3.01Å
705	L	94.5	Very high	94.3	Very high	34 Å²	34	28.3 Å²	28.3	18%	0.178	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-43.2	175.5	-71.4	173.5	0	0	0	111.9	L689 C701 H702 A707 G708 A709 I711 Y736 R740	L689-L705 HydrophobicContact CD1-CG 4.42Å; L689-L705 HydrophobicContact CD2-CD2 3.73Å; L689-L705 HydrophobicContact CD2-CG 4.32Å; C701-L705 WeakPolarHBondContact O-CB 3.26Å; C701-L705 VanDerWaalsContact O-CG 3.25Å; C701-L705 WeakPolarHBondContact O-CG 3.35Å; C701-L705 PolarHBondContact O-N 2.95Å; H702-L705 PolarHBondContact O-N 2.79Å; L705-A707 PolarHBondContact O-N 2.75Å; L705-G708 PolarHBondContact O-N 3Å; L705-A709 HydrophobicContact CD2-CB 4.46Å; L705-A709 WeakPolarHBondContact CD2-O 3.24Å; L705-I711 HydrophobicContact CD1-CD1 4.11Å; L705-I711 HydrophobicContact CD2-CB 3.69Å; L705-I711 HydrophobicContact CD2-CD1 4.3Å; L705-I711 HydrophobicContact CD2-CG1 4.1Å; L705-Y736 HydrophobicContact CD1-CE1 3.88Å; L705-R740 HydrophobicContact CD1-CB 4.29Å; L705-R740 HydrophobicContact CD1-CG 4.2Å
706	Q	92.6	Very high	94.1	Very high	40 Å²	40	26.5 Å²	26.5	19%	0.187	16%	0.158	C	C	.	.	H	α-helix	trans	-62.9	-27.9	173.7	-75.5	-178	-31.1	0	0	113.1	L618 S619 H702 V703 G708	L618-Q706 HydrophobicContact CD2-CB 3.68Å; S619-Q706 PolarHBondContact O-NE2 2.91Å; S619-Q706 PolarHBondContact O-OE1 2.9Å; S619-Q706 VanDerWaalsContact O-OE1 3.07Å; S619-Q706 PolarHBondContact OG-NE2 3.32Å; H702-Q706 PolarHBondContact CD2-OE1 2.87Å; H702-Q706 PolarHBondContact NE2-NE2 2.92Å; H702-Q706 PolarHBondContact NE2-OE1 2.92Å; H702-Q706 VanDerWaalsContact NE2-OE1 3.11Å; H702-Q706 WeakPolarHBondContact O-CB 3.28Å; H702-Q706 WeakPolarHBondContact O-CG 3.18Å; H702-Q706 PolarHBondContact O-N 3.15Å; V703-Q706 PolarHBondContact O-N 3.45Å; Q706-G708 VanDerWaalsContact C-N 3.3Å
707	A	92.2	Very high	93.9	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.2	172.6	0	0	0	0	0	114.3	L612 N614 L670 P676 V703 L704 L705	L612-A707 HydrophobicContact CD1-CB 3.55Å; N614-A707 PolarHBondContact ND2-O 2.97Å; L670-A707 HydrophobicContact CD1-CB 3.98Å; L670-A707 HydrophobicContact CD2-CB 3.9Å; L670-A707 HydrophobicContact CG-CB 4.41Å; P676-A707 HydrophobicContact CB-CB 4.29Å; P676-A707 HydrophobicContact CG-CB 4.02Å; V703-A707 WeakPolarHBondContact O-CB 3.2Å; V703-A707 PolarHBondContact O-N 3.09Å; L704-A707 PolarHBondContact O-N 2.86Å; L705-A707 PolarHBondContact O-N 2.75Å
708	G	92.1	Very high	93.8	Very high	45 Å²	45	29 Å²	29	46%	0.464	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	26.4	-179.9	0	0	0	0	0	115.1	N677 L704 L705 Q706	N677-G708 PolarHBondContact ND2-O 3.22Å; L704-G708 PolarHBondContact O-N 3.48Å; L705-G708 PolarHBondContact O-N 3Å; Q706-G708 VanDerWaalsContact C-N 3.3Å
709	A	94.4	Very high	93.7	Very high	11 Å²	11	30.6 Å²	30.6	9%	0.091	17%	0.165	C	C	.	.			trans	-62.6	136.1	166.1	0	0	0	0	0	111	P676 N677 L689 L704 L705 I711	P676-A709 HydrophobicContact CB-CB 4.14Å; N677-A709 WeakPolarHBondContact OD1-CA 3.37Å; L689-A709 HydrophobicContact CB-CB 4.37Å; L689-A709 HydrophobicContact CD2-CB 4.05Å; L704-A709 HydrophobicContact CB-CB 4.08Å; L704-A709 WeakPolarHBondContact O-CB 3.26Å; L704-A709 PolarHBondContact O-N 3.01Å; L705-A709 HydrophobicContact CD2-CB 4.46Å; L705-A709 WeakPolarHBondContact CD2-O 3.24Å; A709-I711 PolarHBondContact O-N 3.38Å
710	N	94.6	Very high	93.8	Very high	81 Å²	81	28.5 Å²	28.5	43%	0.433	16%	0.155	S	C	.	.			trans	-72.1	113.3	169.9	176.9	16.3	0	0	0	110	N677 N712 A713	N677-N710 PolarHBondContact OD1-N 2.68Å; N710-N712 VanDerWaalsContact ND2-C 3.33Å; N710-N712 PolarHBondContact ND2-O 3.3Å; N710-N712 PolarHBondContact O-N 2.81Å; N710-N712 PolarHBondContact OD1-N 3.13Å; N710-A713 HydrophobicContact CB-CB 4.21Å; N710-A713 WeakPolarHBondContact ND2-CA 3.28Å; N710-A713 PolarHBondContact ND2-N 2.77Å; N710-A713 VanDerWaalsContact O-CB 3.31Å; N710-A713 WeakPolarHBondContact O-CB 3.21Å; N710-A713 PolarHBondContact O-N 3.35Å; N710-A713 VanDerWaalsContact O-N 3.12Å
711	I	95.5	Very high	93.8	Very high	22 Å²	22	28.5 Å²	28.5	11%	0.113	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.8	176.8	-164.3	165.1	0	0	0	112.8	L705 A709 P721 M737 R740	L705-I711 HydrophobicContact CD1-CD1 4.11Å; L705-I711 HydrophobicContact CD2-CB 3.69Å; L705-I711 HydrophobicContact CD2-CD1 4.3Å; L705-I711 HydrophobicContact CD2-CG1 4.1Å; A709-I711 PolarHBondContact O-N 3.38Å; I711-P721 WeakPolarHBondContact O-CD 3.42Å; I711-M737 HydrophobicContact CD1-CB 4.37Å; I711-M737 WeakPolarHBondContact CD1-O 3.37Å; I711-R740 HydrophobicContact CD1-CB 3.57Å
712	N	94.7	Very high	93.8	Very high	61 Å²	61	28.6 Å²	28.6	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	38.7	177	-60.1	-39.7	0	0	0	110.2	N710 G741 C743	N710-N712 VanDerWaalsContact ND2-C 3.33Å; N710-N712 PolarHBondContact ND2-O 3.3Å; N710-N712 PolarHBondContact O-N 2.81Å; N710-N712 PolarHBondContact OD1-N 3.13Å; N712-G741 PolarHBondContact ND2-O 2.69Å; N712-C743 VanDerWaalsContact OD1-CB 3.3Å; N712-C743 WeakPolarHBondContact OD1-CB 3.23Å; N712-C743 PolarHBondContact OD1-N 3.31Å
713	A	94	Very high	93.9	Very high	6 Å²	6	28.6 Å²	28.6	5%	0.05	16%	0.156	C	C	.	.			trans	-66.1	141.6	163.5	0	0	0	0	0	108.7	T687 H690 N710 P721	T687-A713 HydrophobicContact CG2-CB 3.9Å; H690-A713 PolarHBondContact CE1-O 2.79Å; N710-A713 HydrophobicContact CB-CB 4.21Å; N710-A713 WeakPolarHBondContact ND2-CA 3.28Å; N710-A713 PolarHBondContact ND2-N 2.77Å; N710-A713 VanDerWaalsContact O-CB 3.31Å; N710-A713 WeakPolarHBondContact O-CB 3.21Å; N710-A713 PolarHBondContact O-N 3.35Å; N710-A713 VanDerWaalsContact O-N 3.12Å; A713-P721 VanDerWaalsContact O-CD 3.23Å; A713-P721 WeakPolarHBondContact O-CD 3.43Å
714	V	93.8	Very high	93.9	Very high	60 Å²	60	28.8 Å²	28.8	36%	0.364	16%	0.157	S	C	.	.			trans	-109	144.2	166.9	-69.4	0	0	0	0	110.4	Q679 R719 T720	Q679-V714 PolarHBondContact NE2-O 3.03Å; V714-R719 VanDerWaalsContact CA-O 3.31Å; V714-R719 WeakPolarHBondContact CA-O 3.41Å; V714-T720 HydrophobicContact CG1-CG2 4.14Å
715	D	92.9	Very high	94	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.027	16%	0.157	C	C	.	.			trans	-81.3	-162.9	166.7	78.7	-18.6	0	0	0	111.2	R686 H690 Q717 Q718 R719	R686-D715 HydrophobicContact CB-CB 4.29Å; R686-D715 HydrophobicContact CG-CB 3.54Å; H690-D715 PolarHBondContact NE2-N 2.83Å; D715-Q717 VanDerWaalsContact CG-N 3.33Å; D715-Q717 VanDerWaalsContact OD1-CA 3.24Å; D715-Q717 WeakPolarHBondContact OD1-CA 3.43Å; D715-Q717 VanDerWaalsContact OD1-CB 3.24Å; D715-Q717 WeakPolarHBondContact OD1-CB 3.43Å; D715-Q717 PolarHBondContact OD1-N 3.08Å; D715-Q717 WeakPolarHBondContact OD2-CB 3.41Å; D715-Q717 PolarHBondContact OD2-OE1 2.98Å; D715-Q717 VanDerWaalsContact OD2-OE1 3.05Å; D715-Q718 PolarHBondContact O-NE2 3.02Å; D715-Q718 PolarHBondContact OD1-N 2.81Å; D715-R719 PolarHBondContact N-O 2.87Å; D715-R719 PolarHBondContact OD1-N 2.95Å
716	K	92	Very high	94.1	Very high	81 Å²	81	27.2 Å²	27.2	35%	0.352	15%	0.148	S	C	.	.	S	Bend	trans	-64.3	-41.2	172.4	-177.2	-157	172.7	-162.8	0	109.6	R129 S684 Q718	R129-K716 VanDerWaalsContact NH1-C 3.32Å; R129-K716 VanDerWaalsContact NH1-CD 3.31Å; R129-K716 VanDerWaalsContact NH1-CG 3.26Å; R129-K716 VanDerWaalsContact NH2-C 3.28Å; R129-K716 PolarHBondContact NH2-O 3.24Å; R129-K716 PolarHBondContact O-NZ 2.64Å; R129-K716 VanDerWaalsContact O-NZ 3.12Å; S684-K716 WeakPolarHBondContact O-CB 3.36Å; S684-K716 PolarHBondContact O-N 2.83Å; S684-K716 WeakPolarHBondContact OG-CB 3.4Å; S684-K716 VanDerWaalsContact OG-CD 3.26Å; S684-K716 WeakPolarHBondContact OG-CD 3.28Å; K716-Q718 PolarHBondContact O-N 3.19Å; K716-Q718 PolarHBondContact O-NE2 2.78Å
717	Q	90.1	Very high	94.3	Very high	9 Å²	9	27.4 Å²	27.4	4%	0.042	15%	0.152	C	C	.	.	S	Bend	trans	-65.8	-16.7	-176.1	-76.4	64.8	-10.4	0	0	114.1	S128 R129 S684 D715 R719 E749	S128-Q717 VanDerWaalsContact CB-NE2 3.29Å; S128-Q717 PolarHBondContact O-NE2 3.47Å; R129-Q717 VanDerWaalsContact NH1-CA 3.32Å; R129-Q717 VanDerWaalsContact NH1-N 3.15Å; R129-Q717 VanDerWaalsContact NH2-CA 3.33Å; S684-Q717 PolarHBondContact OG-NE2 3.02Å; S684-Q717 PolarHBondContact OG-OE1 2.96Å; D715-Q717 VanDerWaalsContact CG-N 3.33Å; D715-Q717 VanDerWaalsContact OD1-CA 3.24Å; D715-Q717 WeakPolarHBondContact OD1-CA 3.43Å; D715-Q717 VanDerWaalsContact OD1-CB 3.24Å; D715-Q717 WeakPolarHBondContact OD1-CB 3.43Å; D715-Q717 PolarHBondContact OD1-N 3.08Å; D715-Q717 WeakPolarHBondContact OD2-CB 3.41Å; D715-Q717 PolarHBondContact OD2-OE1 2.98Å; D715-Q717 VanDerWaalsContact OD2-OE1 3.05Å; Q717-R719 HydrophobicContact CB-CB 4.33Å; Q717-R719 HydrophobicContact CB-CG 3.89Å; Q717-E749 PolarHBondContact O-N 2.85Å; Q717-E749 VanDerWaalsContact O-N 3.11Å
718	Q	92.1	Very high	94.5	Very high	84 Å²	84	29.9 Å²	29.9	39%	0.393	17%	0.165	S	C	.	.			trans	72	12.1	-163	-48.4	-52.9	-89.6	0	0	113	D715 K716	D715-Q718 PolarHBondContact O-NE2 3.02Å; D715-Q718 PolarHBondContact OD1-N 2.81Å; K716-Q718 PolarHBondContact O-N 3.19Å; K716-Q718 PolarHBondContact O-NE2 2.78Å
719	R	93.6	Very high	94.7	Very high	56 Å²	56	31.3 Å²	31.3	21%	0.211	16%	0.162	C	C	.	.			trans	-63.7	142.5	165.5	-73.4	175.7	-171.5	-149.9	-13.6	108.7	H690 V714 D715 Q717 E724 E748	H690-R719 PolarHBondContact NE2-O 3.24Å; H690-R719 VanDerWaalsContact NE2-O 3.16Å; V714-R719 VanDerWaalsContact CA-O 3.31Å; V714-R719 WeakPolarHBondContact CA-O 3.41Å; D715-R719 PolarHBondContact N-O 2.87Å; D715-R719 PolarHBondContact OD1-N 2.95Å; Q717-R719 HydrophobicContact CB-CB 4.33Å; Q717-R719 HydrophobicContact CB-CG 3.89Å; R719-E724 HydrophobicContact CB-CG 4.45Å; R719-E748 HydrophobicContact CG-CG 3.71Å; R719-E748 WeakPolarHBondContact CG-OE1 3.37Å; R719-E748 WeakPolarHBondContact CG-OE2 3.28Å; R719-E748 IonicContact CZ-OE1 3.77Å; R719-E748 IonicContact CZ-OE2 3.17Å; R719-E748 VanDerWaalsContact CZ-OE2 3.22Å; R719-E748 VanDerWaalsContact NE-CD 3.32Å; R719-E748 IonicContact NE-OE1 2.73Å; R719-E748 PolarHBondContact NE-OE1 3.1Å; R719-E748 IonicContact NE-OE2 3.65Å; R719-E748 PolarHBondContact NE-OE2 2.98Å; R719-E748 IonicContact NH2-OE1 2.84Å; R719-E748 IonicContact NH2-OE2 2.95Å; R719-E748 PolarHBondContact NH2-OE2 3.49Å
720	T	95	Very high	94.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.171	C	C	.	.			trans	-103.2	161.7	165.9	60.6	0	0	0	0	109.7	V714 L722 M723 E724	V714-T720 HydrophobicContact CG1-CG2 4.14Å; T720-L722 PolarHBondContact O-N 2.94Å; T720-L722 VanDerWaalsContact O-N 3.14Å; T720-M723 HydrophobicContact CG2-SD 4.16Å; T720-M723 PolarHBondContact N-SD 3.4Å; T720-M723 VanDerWaalsContact N-SD 3.39Å; T720-M723 WeakPolarHBondContact O-CB 3.42Å; T720-M723 PolarHBondContact O-N 2.69Å; T720-M723 WeakPolarHBondContact OG1-CG 3.36Å; T720-M723 PolarHBondContact OG1-N 3.38Å; T720-M723 PolarHBondContact OG1-SD 3.25Å; T720-E724 WeakPolarHBondContact O-CG 3.15Å; T720-E724 PolarHBondContact O-N 3.29Å
721	P	96.1	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-54.1	-29.8	169.4	-26.9	34.5	0	0	0	113.8	L689 A693 I711 A713 E724 A725 M737	L689-P721 HydrophobicContact CB-CG 4.13Å; L689-P721 HydrophobicContact CD2-CB 4.24Å; L689-P721 HydrophobicContact CD2-CG 3.97Å; L689-P721 HydrophobicContact CG-CB 3.87Å; L689-P721 HydrophobicContact CG-CG 3.85Å; A693-P721 HydrophobicContact CB-CB 4.16Å; A693-P721 WeakPolarHBondContact CB-O 3.34Å; I711-P721 WeakPolarHBondContact O-CD 3.42Å; A713-P721 VanDerWaalsContact O-CD 3.23Å; A713-P721 WeakPolarHBondContact O-CD 3.43Å; P721-E724 PolarHBondContact O-N 3.28Å; P721-A725 PolarHBondContact O-N 2.85Å; P721-M737 HydrophobicContact CB-CE 3.8Å; P721-M737 HydrophobicContact CB-SD 3.78Å
722	L	96.6	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-42.6	174.3	177.6	58.6	0	0	0	111.7	T720 E724 A725 V726 A734 M737 V738 V744	T720-L722 PolarHBondContact O-N 2.94Å; T720-L722 VanDerWaalsContact O-N 3.14Å; L722-E724 VanDerWaalsContact C-N 3.31Å; L722-E724 PolarHBondContact O-N 3.41Å; L722-A725 PolarHBondContact O-N 2.83Å; L722-V726 HydrophobicContact CD1-CG2 4.39Å; L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 3.32Å; L722-A734 HydrophobicContact CD1-CB 3.89Å; L722-M737 HydrophobicContact CB-SD 4.43Å; L722-M737 HydrophobicContact CD1-CB 4.08Å; L722-V738 HydrophobicContact CD1-CG2 4.05Å; L722-V738 HydrophobicContact CD2-CG2 3.99Å; L722-V744 HydrophobicContact CD2-CG1 3.84Å
723	M	95.9	Very high	94.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-41	174	-68.2	156.7	129.5	0	0	111.2	T720 A725 V726 V727 S746 E748 C754	T720-M723 HydrophobicContact CG2-SD 4.16Å; T720-M723 PolarHBondContact N-SD 3.4Å; T720-M723 VanDerWaalsContact N-SD 3.39Å; T720-M723 WeakPolarHBondContact O-CB 3.42Å; T720-M723 PolarHBondContact O-N 2.69Å; T720-M723 WeakPolarHBondContact OG1-CG 3.36Å; T720-M723 PolarHBondContact OG1-N 3.38Å; T720-M723 PolarHBondContact OG1-SD 3.25Å; M723-A725 VanDerWaalsContact C-N 3.33Å; M723-A725 PolarHBondContact O-N 2.96Å; M723-V726 PolarHBondContact O-N 3.26Å; M723-V727 WeakPolarHBondContact O-CB 3.48Å; M723-V727 VanDerWaalsContact O-CG2 3.27Å; M723-V727 WeakPolarHBondContact O-CG2 3.33Å; M723-V727 PolarHBondContact O-N 2.31Å; M723-S746 VanDerWaalsContact CE-O 3.24Å; M723-S746 WeakPolarHBondContact CE-O 3.37Å; M723-E748 HydrophobicContact CE-CG 3.91Å; M723-E748 HydrophobicContact SD-CG 4.28Å; M723-C754 WeakPolarHBondContact CG-SG 3.41Å
724	E	95.3	Very high	95	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-39.5	174.8	-62.1	-86.9	-156.4	0	0	112.2	R686 H690 A693 R719 T720 P721 L722 N728	R686-E724 IonicContact CZ-OE1 2.8Å; R686-E724 IonicContact CZ-OE2 3.24Å; R686-E724 IonicContact NE-OE1 2.6Å; R686-E724 PolarHBondContact NE-OE1 3.27Å; R686-E724 IonicContact NH2-OE1 3.4Å; R686-E724 PolarHBondContact NH2-OE1 3.04Å; R686-E724 IonicContact NH2-OE2 2.8Å; R686-E724 PolarHBondContact NH2-OE2 2.54Å; H690-E724 HydrophobicContact CB-CG 4.25Å; H690-E724 IonicContact CD2-OE1 3.19Å; A693-E724 HydrophobicContact CB-CB 3.95Å; R719-E724 HydrophobicContact CB-CG 4.45Å; T720-E724 WeakPolarHBondContact O-CG 3.15Å; T720-E724 PolarHBondContact O-N 3.29Å; P721-E724 PolarHBondContact O-N 3.28Å; L722-E724 VanDerWaalsContact C-N 3.31Å; L722-E724 PolarHBondContact O-N 3.41Å; E724-N728 WeakPolarHBondContact O-CB 3.49Å; E724-N728 PolarHBondContact O-N 3.47Å; E724-N728 PolarHBondContact O-ND2 2.87Å
725	A	96.9	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-40.9	173.8	0	0	0	0	0	112	A693 P721 L722 M723 N729 H730 V733 A734	A693-A725 HydrophobicContact CB-CB 4.23Å; P721-A725 PolarHBondContact O-N 2.85Å; L722-A725 PolarHBondContact O-N 2.83Å; M723-A725 VanDerWaalsContact C-N 3.33Å; M723-A725 PolarHBondContact O-N 2.96Å; A725-N729 PolarHBondContact O-N 2.93Å; A725-H730 HydrophobicContact CB-CB 4.48Å; A725-H730 PolarHBondContact O-N 2.95Å; A725-V733 HydrophobicContact CB-CB 4.04Å; A725-V733 HydrophobicContact CB-CG1 3.74Å; A725-A734 HydrophobicContact CB-CB 4.32Å
726	V	96.7	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.8	-49.5	178.8	173.7	0	0	0	0	111.7	L722 M723 N728 N729 A734 C754 H757 A758 I761 M766	L722-V726 HydrophobicContact CD1-CG2 4.39Å; L722-V726 WeakPolarHBondContact O-CG2 3.31Å; L722-V726 PolarHBondContact O-N 3.32Å; M723-V726 PolarHBondContact O-N 3.26Å; V726-N728 PolarHBondContact O-N 3.48Å; V726-N729 WeakPolarHBondContact O-CA 3.27Å; V726-N729 PolarHBondContact O-N 2.88Å; V726-A734 HydrophobicContact CG2-CB 4.27Å; V726-C754 WeakPolarHBondContact CG1-O 3.37Å; V726-C754 HydrophobicContact CG2-CB 4.28Å; V726-H757 HydrophobicContact CG1-CB 3.97Å; V726-A758 HydrophobicContact CG1-CB 3.95Å; V726-I761 VanDerWaalsContact O-CD1 3.32Å; V726-I761 WeakPolarHBondContact O-CD1 3.28Å; V726-M766 HydrophobicContact CB-SD 4.49Å; V726-M766 HydrophobicContact CG1-CG 4.11Å; V726-M766 HydrophobicContact CG2-CG 4.3Å; V726-M766 HydrophobicContact CG2-SD 3.85Å
727	V	95.5	Very high	95.4	Very high	45 Å²	45	28.1 Å²	28.1	27%	0.273	13%	0.134	S	C	.	.	H	α-helix	trans	-60.7	-31.4	180	169.5	0	0	0	0	112.3	M723 N729 H757	M723-V727 WeakPolarHBondContact O-CB 3.48Å; M723-V727 VanDerWaalsContact O-CG2 3.27Å; M723-V727 WeakPolarHBondContact O-CG2 3.33Å; M723-V727 PolarHBondContact O-N 2.31Å; V727-N729 VanDerWaalsContact C-N 3.34Å; V727-H757 HydrophobicContact CG2-CB 3.89Å; V727-H757 VanDerWaalsContact CG2-CD2 3.41Å; V727-H757 WeakPolarHBondContact CG2-CD2 3.06Å; V727-H757 VanDerWaalsContact CG2-CG 3.46Å
728	N	96.1	Very high	95.6	Very high	55 Å²	55	29.1 Å²	29.1	29%	0.294	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	19.2	176.3	-61.7	-105.2	0	0	0	112.1	E724 V726 H730	E724-N728 WeakPolarHBondContact O-CB 3.49Å; E724-N728 PolarHBondContact O-N 3.47Å; E724-N728 PolarHBondContact O-ND2 2.87Å; V726-N728 PolarHBondContact O-N 3.48Å; N728-H730 VanDerWaalsContact CB-CD2 3.49Å; N728-H730 WeakPolarHBondContact CB-CD2 3.49Å; N728-H730 PolarHBondContact O-CD2 2.98Å; N728-H730 VanDerWaalsContact O-CD2 3.32Å; N728-H730 PolarHBondContact O-N 3.11Å; N728-H730 VanDerWaalsContact O-N 3.11Å; N728-H730 PolarHBondContact O-NE2 2.82Å
729	N	96.2	Very high	95.7	Very high	75 Å²	75	32 Å²	32	40%	0.401	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	22.7	175.6	-152.4	9.7	0	0	0	116.7	A725 V726 V727 L731 I761 N763	A725-N729 PolarHBondContact O-N 2.93Å; V726-N729 WeakPolarHBondContact O-CA 3.27Å; V726-N729 PolarHBondContact O-N 2.88Å; V727-N729 VanDerWaalsContact C-N 3.34Å; N729-L731 VanDerWaalsContact C-N 3.33Å; N729-L731 PolarHBondContact O-N 3.31Å; N729-I761 HydrophobicContact CB-CG2 4.25Å; N729-N763 PolarHBondContact OD1-ND2 2.86Å
730	H	96.8	Very high	95.6	Very high	58 Å²	58	34.4 Å²	34.4	27%	0.269	16%	0.163	S	C	.	.			trans	-81.8	71.3	-177	-64.9	-57.6	0	0	0	112.4	A693 Q694 G696 A725 N728 E732 V733 A734	A693-H730 PolarHBondContact O-CD2 3.1Å; Q694-H730 PolarHBondContact O-NE2 3.04Å; G696-H730 VanDerWaalsContact CA-CG 3.43Å; G696-H730 WeakPolarHBondContact CA-ND1 3.32Å; A725-H730 HydrophobicContact CB-CB 4.48Å; A725-H730 PolarHBondContact O-N 2.95Å; N728-H730 VanDerWaalsContact CB-CD2 3.49Å; N728-H730 WeakPolarHBondContact CB-CD2 3.49Å; N728-H730 PolarHBondContact O-CD2 2.98Å; N728-H730 VanDerWaalsContact O-CD2 3.32Å; N728-H730 PolarHBondContact O-N 3.11Å; N728-H730 VanDerWaalsContact O-N 3.11Å; N728-H730 PolarHBondContact O-NE2 2.82Å; H730-E732 VanDerWaalsContact C-N 3.33Å; H730-E732 PolarHBondContact O-N 3.19Å; H730-V733 HydrophobicContact CB-CB 4Å; H730-V733 HydrophobicContact CB-CG2 4.07Å; H730-V733 PolarHBondContact O-N 2.77Å; H730-A734 PolarHBondContact O-N 2.83Å
731	L	95.9	Very high	95.4	Very high	24 Å²	24	36.7 Å²	36.7	13%	0.126	19%	0.186	C	C	.	.	H	α-helix	trans	-49.1	-46.1	-175.4	-178.5	63.5	0	0	0	113.9	N729 V733 A734 R735 E765 M766 L769	N729-L731 VanDerWaalsContact C-N 3.33Å; N729-L731 PolarHBondContact O-N 3.31Å; L731-V733 PolarHBondContact O-N 2.8Å; L731-A734 PolarHBondContact O-N 3.35Å; L731-R735 VanDerWaalsContact O-CB 3.31Å; L731-R735 WeakPolarHBondContact O-CB 3.21Å; L731-R735 PolarHBondContact O-N 3.35Å; L731-E765 HydrophobicContact CD1-CB 4.21Å; L731-E765 HydrophobicContact CD2-CB 3.65Å; L731-E765 HydrophobicContact CD2-CG 4.37Å; L731-E765 WeakPolarHBondContact CD2-OE2 3.19Å; L731-M766 HydrophobicContact CB-CE 4.12Å; L731-M766 HydrophobicContact CD1-CB 4.16Å; L731-M766 HydrophobicContact CD1-CE 4.24Å; L731-M766 HydrophobicContact CD1-SD 3.87Å; L731-L769 HydrophobicContact CD1-CD2 3.98Å
732	E	94.9	Very high	95.3	Very high	97 Å²	97	37.1 Å²	37.1	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-70.6	-29.2	-179.5	-69.1	-52.9	112	0	0	113.6	V698 H730 R735 Y736	V698-E732 HydrophobicContact CG2-CB 4.3Å; H730-E732 VanDerWaalsContact C-N 3.33Å; H730-E732 PolarHBondContact O-N 3.19Å; E732-R735 IonicContact OE1-CZ 2.78Å; E732-R735 IonicContact OE1-NE 3.16Å; E732-R735 PolarHBondContact OE1-NE 2.86Å; E732-R735 IonicContact OE1-NH2 2.73Å; E732-R735 PolarHBondContact OE1-NH2 2.67Å; E732-R735 IonicContact OE2-NE 3.72Å; E732-R735 PolarHBondContact OE2-NE 3.48Å; E732-Y736 VanDerWaalsContact O-CB 3.23Å; E732-Y736 WeakPolarHBondContact O-CB 3.5Å; E732-Y736 PolarHBondContact O-N 3.2Å
733	V	96	Very high	95.1	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-43.3	170.3	178.7	0	0	0	0	110.2	A693 G696 V698 A725 H730 L731 Y736 M737	A693-V733 HydrophobicContact CB-CG1 4.45Å; G696-V733 VanDerWaalsContact C-CG2 3.44Å; G696-V733 WeakPolarHBondContact O-CG2 3.46Å; V698-V733 HydrophobicContact CG2-CG2 3.73Å; A725-V733 HydrophobicContact CB-CB 4.04Å; A725-V733 HydrophobicContact CB-CG1 3.74Å; H730-V733 HydrophobicContact CB-CB 4Å; H730-V733 HydrophobicContact CB-CG2 4.07Å; H730-V733 PolarHBondContact O-N 2.77Å; L731-V733 PolarHBondContact O-N 2.8Å; V733-Y736 PolarHBondContact O-N 2.97Å; V733-M737 HydrophobicContact CG1-CE 3.81Å; V733-M737 HydrophobicContact CG1-CG 4.28Å; V733-M737 HydrophobicContact CG1-SD 4.37Å; V733-M737 WeakPolarHBondContact O-CB 3.32Å; V733-M737 WeakPolarHBondContact O-CG 3.39Å; V733-M737 PolarHBondContact O-N 3.44Å
734	A	96.6	Very high	95	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-47	176.1	0	0	0	0	0	111.2	L722 A725 V726 H730 L731 Y736 M737 V738 M766 L769	L722-A734 HydrophobicContact CD1-CB 3.89Å; A725-A734 HydrophobicContact CB-CB 4.32Å; V726-A734 HydrophobicContact CG2-CB 4.27Å; H730-A734 PolarHBondContact O-N 2.83Å; L731-A734 PolarHBondContact O-N 3.35Å; A734-Y736 PolarHBondContact O-N 2.88Å; A734-M737 PolarHBondContact O-N 2.97Å; A734-V738 WeakPolarHBondContact O-CG2 3.45Å; A734-V738 PolarHBondContact O-N 3.36Å; A734-M766 HydrophobicContact CB-CE 4.28Å; A734-M766 HydrophobicContact CB-SD 3.55Å; A734-M766 VanDerWaalsContact CB-SD 3.55Å; A734-L769 HydrophobicContact CB-CD2 4.13Å
735	R	96.2	Very high	94.8	Very high	68 Å²	68	44.7 Å²	44.7	26%	0.257	22%	0.223	S	C	.	.	H	α-helix	trans	-56.2	-49.2	176	-162	-171.4	-51.6	-86.7	8.5	111.1	L731 E732 Q739 E765 L769	L731-R735 VanDerWaalsContact O-CB 3.31Å; L731-R735 WeakPolarHBondContact O-CB 3.21Å; L731-R735 PolarHBondContact O-N 3.35Å; E732-R735 IonicContact OE1-CZ 2.78Å; E732-R735 IonicContact OE1-NE 3.16Å; E732-R735 PolarHBondContact OE1-NE 2.86Å; E732-R735 IonicContact OE1-NH2 2.73Å; E732-R735 PolarHBondContact OE1-NH2 2.67Å; E732-R735 IonicContact OE2-NE 3.72Å; E732-R735 PolarHBondContact OE2-NE 3.48Å; R735-Q739 VanDerWaalsContact O-CG 3.27Å; R735-Q739 WeakPolarHBondContact O-CG 3.42Å; R735-Q739 PolarHBondContact O-N 2.91Å; R735-E765 IonicContact NH2-OE2 2.78Å; R735-E765 PolarHBondContact NH2-OE2 2.74Å; R735-L769 HydrophobicContact CB-CD1 4.44Å; R735-L769 HydrophobicContact CB-CD2 3.98Å; R735-L769 HydrophobicContact CG-CD1 4.07Å; R735-L769 HydrophobicContact CG-CD2 4.46Å
736	Y	95	Very high	94.6	Very high	9 Å²	9	45.7 Å²	45.7	4%	0.035	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-43.4	176.2	174.5	-105.4	0	0	0	112.6	L623 V698 C701 H702 L705 E732 V733 A734 Q739 R740	L623-Y736 HydrophobicContact CD2-CE2 4.35Å; V698-Y736 HydrophobicContact CG1-CD1 3.91Å; V698-Y736 HydrophobicContact CG1-CD2 4.18Å; V698-Y736 HydrophobicContact CG1-CG 3.71Å; C701-Y736 HydrophobicContact CB-CD1 4.45Å; C701-Y736 HydrophobicContact CB-CE1 4.26Å; H702-Y736 WeakPolarHBondContact CA-OH 3.29Å; H702-Y736 HydrophobicContact CB-CE1 4.05Å; H702-Y736 WeakPolarHBondContact CB-OH 3.45Å; H702-Y736 AromaticContact ND1-CE2 3.84Å; H702-Y736 AromaticContact ND1-CZ 3.63Å; H702-Y736 PolarHBondContact ND1-OH 3.46Å; L705-Y736 HydrophobicContact CD1-CE1 3.88Å; E732-Y736 VanDerWaalsContact O-CB 3.23Å; E732-Y736 WeakPolarHBondContact O-CB 3.5Å; E732-Y736 PolarHBondContact O-N 3.2Å; V733-Y736 PolarHBondContact O-N 2.97Å; A734-Y736 PolarHBondContact O-N 2.88Å; Y736-Q739 PolarHBondContact O-N 3.11Å; Y736-R740 HydrophobicContact CD2-CG 4.31Å; Y736-R740 HydrophobicContact CE1-CG 4.07Å; Y736-R740 HydrophobicContact CE2-CG 3.78Å; Y736-R740 VanDerWaalsContact CE2-NE 3.34Å; Y736-R740 VanDerWaalsContact O-CG 3.3Å; Y736-R740 WeakPolarHBondContact O-CG 3.43Å; Y736-R740 PolarHBondContact O-N 2.85Å; Y736-R740 PolarHBondContact OH-NE 3.42Å; Y736-R740 PolarHBondContact OH-NH2 2.78Å
737	M	95.4	Very high	94.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-40.2	178.8	-74.7	-161.7	-176.5	0	0	112.7	L689 A693 C701 I711 P721 L722 V733 A734 R740 G741 G742	L689-M737 HydrophobicContact CD1-CE 3.91Å; L689-M737 HydrophobicContact CG-CE 4.14Å; A693-M737 HydrophobicContact CB-CE 3.83Å; C701-M737 HydrophobicContact CB-CE 4.09Å; C701-M737 VanDerWaalsContact SG-CE 3.51Å; I711-M737 HydrophobicContact CD1-CB 4.37Å; I711-M737 WeakPolarHBondContact CD1-O 3.37Å; P721-M737 HydrophobicContact CB-CE 3.8Å; P721-M737 HydrophobicContact CB-SD 3.78Å; L722-M737 HydrophobicContact CB-SD 4.43Å; L722-M737 HydrophobicContact CD1-CB 4.08Å; V733-M737 HydrophobicContact CG1-CE 3.81Å; V733-M737 HydrophobicContact CG1-CG 4.28Å; V733-M737 HydrophobicContact CG1-SD 4.37Å; V733-M737 WeakPolarHBondContact O-CB 3.32Å; V733-M737 WeakPolarHBondContact O-CG 3.39Å; V733-M737 PolarHBondContact O-N 3.44Å; A734-M737 PolarHBondContact O-N 2.97Å; M737-R740 CarbonylContact O-C 3.53Å; M737-R740 PolarHBondContact O-N 3.38Å; M737-R740 VanDerWaalsContact O-N 3.14Å; M737-G741 PolarHBondContact O-N 2.84Å; M737-G741 VanDerWaalsContact O-N 3.16Å; M737-G742 PolarHBondContact O-N 3.35Å
738	V	95	Very high	94.4	Very high	31 Å²	31	48.7 Å²	48.7	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-46.6	173.5	171.6	0	0	0	0	110.4	L722 A734 R740 G741 V744 T773	L722-V738 HydrophobicContact CD1-CG2 4.05Å; L722-V738 HydrophobicContact CD2-CG2 3.99Å; A734-V738 WeakPolarHBondContact O-CG2 3.45Å; A734-V738 PolarHBondContact O-N 3.36Å; V738-R740 PolarHBondContact O-N 2.9Å; V738-G741 PolarHBondContact O-N 3.23Å; V738-V744 HydrophobicContact CG2-CG1 3.77Å; V738-T773 HydrophobicContact CG1-CG2 3.75Å
739	Q	93.4	Very high	94.2	Very high	143 Å²	143	50.5 Å²	50.5	67%	0.668	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-28.5	174.5	-72.1	173	5.8	0	0	113.5	R735 Y736	R735-Q739 VanDerWaalsContact O-CG 3.27Å; R735-Q739 WeakPolarHBondContact O-CG 3.42Å; R735-Q739 PolarHBondContact O-N 2.91Å; Y736-Q739 PolarHBondContact O-N 3.11Å
740	R	92.7	Very high	94	Very high	108 Å²	108	49.7 Å²	49.7	41%	0.408	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.3	175.2	-67.1	-60.2	-160.1	-171.2	5.3	114.5	G622 H702 L705 I711 Y736 M737 V738	G622-R740 PolarHBondContact O-NH2 3.42Å; H702-R740 PolarHBondContact CE1-NH2 3.27Å; H702-R740 PolarHBondContact ND1-NH2 3.13Å; L705-R740 HydrophobicContact CD1-CB 4.29Å; L705-R740 HydrophobicContact CD1-CG 4.2Å; I711-R740 HydrophobicContact CD1-CB 3.57Å; Y736-R740 HydrophobicContact CD2-CG 4.31Å; Y736-R740 HydrophobicContact CE1-CG 4.07Å; Y736-R740 HydrophobicContact CE2-CG 3.78Å; Y736-R740 VanDerWaalsContact CE2-NE 3.34Å; Y736-R740 VanDerWaalsContact O-CG 3.3Å; Y736-R740 WeakPolarHBondContact O-CG 3.43Å; Y736-R740 PolarHBondContact O-N 2.85Å; Y736-R740 PolarHBondContact OH-NE 3.42Å; Y736-R740 PolarHBondContact OH-NH2 2.78Å; M737-R740 CarbonylContact O-C 3.53Å; M737-R740 PolarHBondContact O-N 3.38Å; M737-R740 VanDerWaalsContact O-N 3.14Å; V738-R740 PolarHBondContact O-N 2.9Å
741	G	90.9	Very high	93.8	Very high	48 Å²	48	47.7 Å²	47.7	50%	0.495	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	28.6	178	0	0	0	0	0	115.2	N712 M737 V738	N712-G741 PolarHBondContact ND2-O 2.69Å; M737-G741 PolarHBondContact O-N 2.84Å; M737-G741 VanDerWaalsContact O-N 3.16Å; V738-G741 PolarHBondContact O-N 3.23Å
742	G	92.9	Very high	93.8	Very high	9 Å²	9	46.8 Å²	46.8	9%	0.093	23%	0.232	C	C	.	.			trans	-64.3	140.2	168.7	0	0	0	0	0	112.1	M737 V744	M737-G742 PolarHBondContact O-N 3.35Å; G742-V744 PolarHBondContact O-N 3.45Å
743	C	93.1	Very high	93.9	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.128	21%	0.213	C	C	.	.			trans	-80.4	101	-174.5	-178.1	0	0	0	0	111.9	N712 Y745 S746	N712-C743 VanDerWaalsContact OD1-CB 3.3Å; N712-C743 WeakPolarHBondContact OD1-CB 3.23Å; N712-C743 PolarHBondContact OD1-N 3.31Å; C743-Y745 VanDerWaalsContact C-N 3.32Å; C743-Y745 PolarHBondContact O-N 2.9Å; C743-Y745 WeakPolarHBondContact SG-CE2 3.2Å; C743-Y745 VanDerWaalsContact SG-CZ 3.52Å; C743-S746 PolarHBondContact O-OG 3.1Å; C743-S746 PolarHBondContact SG-OG 3.15Å
744	V	93.6	Very high	93.9	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.012	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.7	179.1	-67.6	0	0	0	0	114.6	L722 V738 G742 L770 T773 Q775 V776	L722-V744 HydrophobicContact CD2-CG1 3.84Å; V738-V744 HydrophobicContact CG2-CG1 3.77Å; G742-V744 PolarHBondContact O-N 3.45Å; V744-L770 HydrophobicContact CB-CD2 4.24Å; V744-L770 HydrophobicContact CG1-CD2 3.85Å; V744-T773 HydrophobicContact CG1-CG2 4.09Å; V744-T773 HydrophobicContact CG2-CG2 4.48Å; V744-Q775 HydrophobicContact CG2-CB 3.98Å; V744-V776 HydrophobicContact CB-CG2 3.73Å; V744-V776 HydrophobicContact CG2-CG2 3.61Å
745	Y	92.1	Very high	93.9	Very high	145 Å²	145	42.3 Å²	42.3	57%	0.569	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	15.5	-174	58.4	-96	0	0	0	113.6	C743 Q775	C743-Y745 VanDerWaalsContact C-N 3.32Å; C743-Y745 PolarHBondContact O-N 2.9Å; C743-Y745 WeakPolarHBondContact SG-CE2 3.2Å; C743-Y745 VanDerWaalsContact SG-CZ 3.52Å; Y745-Q775 HydrophobicContact CD1-CB 4.23Å
746	S	92.3	Very high	94	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	20%	0.2	C	C	.	.			trans	-61.8	151.3	170.4	-60.4	0	0	0	0	111.2	M723 C743	M723-S746 VanDerWaalsContact CE-O 3.24Å; M723-S746 WeakPolarHBondContact CE-O 3.37Å; C743-S746 PolarHBondContact O-OG 3.1Å; C743-S746 PolarHBondContact SG-OG 3.15Å
747	K	93.6	Very high	94	Very high	93 Å²	93	40.1 Å²	40.1	40%	0.404	21%	0.205	S	C	.	.			trans	-120.1	139.5	170.1	-77	-175.9	167.6	-89.5	0	110.4	G751 S752 T753 Q781	K747-G751 WeakPolarHBondContact CD-O 3.32Å; K747-G751 VanDerWaalsContact CG-O 3.28Å; K747-G751 WeakPolarHBondContact CG-O 3.39Å; K747-G751 PolarHBondContact NZ-O 3Å; K747-S752 CarbonylContact C-O 3.51Å; K747-S752 WeakPolarHBondContact CA-O 3.44Å; K747-T753 HydrophobicContact CG-CG2 3.77Å; K747-Q781 PolarHBondContact NZ-O 2.86Å
748	E	93.2	Very high	94.1	Very high	15 Å²	15	40.2 Å²	40.2	7%	0.07	21%	0.205	C	C	.	.			trans	-73.9	177.5	169	-83.2	-173.3	-126.6	0	0	111.7	R719 M723 D750 G751 S752 H757	R719-E748 HydrophobicContact CG-CG 3.71Å; R719-E748 WeakPolarHBondContact CG-OE1 3.37Å; R719-E748 WeakPolarHBondContact CG-OE2 3.28Å; R719-E748 IonicContact CZ-OE1 3.77Å; R719-E748 IonicContact CZ-OE2 3.17Å; R719-E748 VanDerWaalsContact CZ-OE2 3.22Å; R719-E748 VanDerWaalsContact NE-CD 3.32Å; R719-E748 IonicContact NE-OE1 2.73Å; R719-E748 PolarHBondContact NE-OE1 3.1Å; R719-E748 IonicContact NE-OE2 3.65Å; R719-E748 PolarHBondContact NE-OE2 2.98Å; R719-E748 IonicContact NH2-OE1 2.84Å; R719-E748 IonicContact NH2-OE2 2.95Å; R719-E748 PolarHBondContact NH2-OE2 3.49Å; M723-E748 HydrophobicContact CE-CG 3.91Å; M723-E748 HydrophobicContact SD-CG 4.28Å; E748-D750 WeakPolarHBondContact CB-OD1 3.45Å; E748-D750 PolarHBondContact O-N 3.14Å; E748-G751 PolarHBondContact O-N 3.04Å; E748-S752 PolarHBondContact N-O 3.16Å; E748-H757 IonicContact OE1-CD2 2.76Å; E748-H757 IonicContact OE1-CE1 3.5Å; E748-H757 IonicContact OE1-NE2 3.82Å; E748-H757 PolarHBondContact OE1-NE2 3.09Å
749	E	92.1	Very high	94.2	Very high	93 Å²	93	38.7 Å²	38.7	44%	0.435	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.3	179.4	177.6	159.6	-120.4	0	0	113.9	R129 K131 Q717 G751	R129-E749 IonicContact CZ-OE2 3.74Å; R129-E749 IonicContact NE-OE2 2.78Å; R129-E749 PolarHBondContact NE-OE2 3.34Å; R129-E749 IonicContact NH2-OE2 3.97Å; R129-E749 PolarHBondContact NH2-OE2 2.93Å; K131-E749 VanDerWaalsContact CG-OE2 3.31Å; K131-E749 WeakPolarHBondContact CG-OE2 3.24Å; K131-E749 IonicContact NZ-OE1 2.73Å; K131-E749 PolarHBondContact NZ-OE1 3.18Å; K131-E749 IonicContact NZ-OE2 3.69Å; K131-E749 PolarHBondContact NZ-OE2 2.77Å; Q717-E749 PolarHBondContact O-N 2.85Å; Q717-E749 VanDerWaalsContact O-N 3.11Å; E749-G751 VanDerWaalsContact C-N 3.27Å
750	D	92.5	Very high	94.4	Very high	59 Å²	59	35.7 Å²	35.7	32%	0.316	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-1.7	170.2	65.8	-15	0	0	0	113	E748 S752 S783	E748-D750 WeakPolarHBondContact CB-OD1 3.45Å; E748-D750 PolarHBondContact O-N 3.14Å; D750-S752 VanDerWaalsContact C-N 3.34Å; D750-S752 VanDerWaalsContact OD1-CB 3.32Å; D750-S752 WeakPolarHBondContact OD1-CB 3.41Å; D750-S752 PolarHBondContact OD1-N 2.64Å; D750-S752 PolarHBondContact OD1-OG 2.78Å; D750-S752 VanDerWaalsContact OD2-CB 3.27Å; D750-S752 WeakPolarHBondContact OD2-CB 3.3Å; D750-S752 PolarHBondContact OD2-OG 3.35Å; D750-S783 WeakPolarHBondContact O-CA 3.37Å; D750-S783 WeakPolarHBondContact O-CB 3.43Å; D750-S783 PolarHBondContact O-N 2.91Å; D750-S783 PolarHBondContact O-OG 3.36Å
751	G	93.3	Very high	94.6	Very high	15 Å²	15	33.4 Å²	33.4	16%	0.155	18%	0.176	C	C	.	.			trans	84.1	-4.9	-175.2	0	0	0	0	0	115.7	K747 E748 E749	K747-G751 WeakPolarHBondContact CD-O 3.32Å; K747-G751 VanDerWaalsContact CG-O 3.28Å; K747-G751 WeakPolarHBondContact CG-O 3.39Å; K747-G751 PolarHBondContact NZ-O 3Å; E748-G751 PolarHBondContact O-N 3.04Å; E749-G751 VanDerWaalsContact C-N 3.27Å
752	S	95.4	Very high	94.8	Very high	5 Å²	5	32 Å²	32	4%	0.035	16%	0.161	C	C	.	.			trans	-65.2	141.6	-177.4	-66.4	0	0	0	0	112.4	K747 E748 D750	K747-S752 CarbonylContact C-O 3.51Å; K747-S752 WeakPolarHBondContact CA-O 3.44Å; E748-S752 PolarHBondContact N-O 3.16Å; D750-S752 VanDerWaalsContact C-N 3.34Å; D750-S752 VanDerWaalsContact OD1-CB 3.32Å; D750-S752 WeakPolarHBondContact OD1-CB 3.41Å; D750-S752 PolarHBondContact OD1-N 2.64Å; D750-S752 PolarHBondContact OD1-OG 2.78Å; D750-S752 VanDerWaalsContact OD2-CB 3.27Å; D750-S752 WeakPolarHBondContact OD2-CB 3.3Å; D750-S752 PolarHBondContact OD2-OG 3.35Å
753	T	96	Very high	95	Very high	7 Å²	7	33 Å²	33	4%	0.043	17%	0.165	C	C	.	.			trans	-107.3	169.4	175.6	72.5	0	0	0	0	111.5	K747 L755 H756 H757 A780	K747-T753 HydrophobicContact CG-CG2 3.77Å; T753-L755 PolarHBondContact O-N 2.86Å; T753-L755 PolarHBondContact OG1-N 3.06Å; T753-L755 VanDerWaalsContact OG1-N 3.17Å; T753-H756 PolarHBondContact N-ND1 2.85Å; T753-H756 PolarHBondContact O-N 2.97Å; T753-H756 PolarHBondContact OG1-ND1 3.07Å; T753-H757 PolarHBondContact O-N 3.41Å; T753-A780 HydrophobicContact CG2-CB 4.24Å
754	C	96.5	Very high	95.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-50.4	-31.4	168.2	-63.7	0	0	0	0	113.1	M723 V726 A758 L770	M723-C754 WeakPolarHBondContact CG-SG 3.41Å; V726-C754 WeakPolarHBondContact CG1-O 3.37Å; V726-C754 HydrophobicContact CG2-CB 4.28Å; C754-A758 VanDerWaalsContact O-CB 3.26Å; C754-A758 WeakPolarHBondContact O-CB 3.44Å; C754-A758 PolarHBondContact O-N 2.91Å; C754-L770 HydrophobicContact CB-CD1 3.77Å; C754-L770 HydrophobicContact CB-CD2 3.78Å; C754-L770 HydrophobicContact CB-CG 4.45Å; C754-L770 WeakPolarHBondContact O-CD1 3.34Å
755	L	97.3	Very high	95.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-75.6	-29.2	-179.5	-169.9	63.1	0	0	0	112.9	T753 A759 V767 L771 V776 P788 L804	T753-L755 PolarHBondContact O-N 2.86Å; T753-L755 PolarHBondContact OG1-N 3.06Å; T753-L755 VanDerWaalsContact OG1-N 3.17Å; L755-A759 WeakPolarHBondContact O-CB 3.37Å; L755-A759 PolarHBondContact O-N 2.86Å; L755-V767 HydrophobicContact CD1-CG1 4.1Å; L755-V767 HydrophobicContact CD1-CG2 4.4Å; L755-L771 HydrophobicContact CD1-CD1 4.37Å; L755-L771 HydrophobicContact CD1-CD2 4.08Å; L755-L771 HydrophobicContact CD1-CG 4.04Å; L755-L771 HydrophobicContact CD2-CD2 3.75Å; L755-V776 HydrophobicContact CB-CG1 3.81Å; L755-V776 HydrophobicContact CD2-CG1 3.64Å; L755-V776 HydrophobicContact CG-CG1 4.26Å; L755-P788 HydrophobicContact CB-CG 4.16Å; L755-P788 HydrophobicContact CD2-CB 4.17Å; L755-P788 HydrophobicContact CD2-CG 3.84Å; L755-P788 HydrophobicContact CG-CB 3.87Å; L755-P788 HydrophobicContact CG-CG 3.77Å; L755-L804 HydrophobicContact CD1-CD2 4.32Å; L755-L804 HydrophobicContact CD2-CD2 4.16Å; L755-L804 HydrophobicContact CG-CD2 4.45Å
756	H	97.3	Very high	95.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-65.3	-52.1	174	-64.2	55.2	0	0	0	109.1	T753 A758 A759 K760 A780 D782 W786 W791	T753-H756 PolarHBondContact N-ND1 2.85Å; T753-H756 PolarHBondContact O-N 2.97Å; T753-H756 PolarHBondContact OG1-ND1 3.07Å; H756-A758 PolarHBondContact O-N 3.17Å; H756-A759 PolarHBondContact O-N 2.79Å; H756-A759 VanDerWaalsContact O-N 3.16Å; H756-K760 PolarHBondContact O-N 3.46Å; H756-A780 PolarHBondContact CE1-O 2.7Å; H756-A780 PolarHBondContact NE2-O 2.63Å; H756-A780 VanDerWaalsContact NE2-O 3.17Å; H756-D782 IonicContact CD2-OD2 3.44Å; H756-D782 PolarHBondContact CD2-OD2 2.9Å; H756-D782 PolarHBondContact NE2-N 3.12Å; H756-D782 IonicContact NE2-OD2 3.87Å; H756-W786 PolarHBondContact NE2-O 2.86Å; H756-W791 AromaticContact CD2-CD1 3.79Å; H756-W791 AromaticContact CD2-NE1 3.75Å
757	H	96.2	Very high	95.8	Very high	29 Å²	29	33 Å²	33	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-45.1	177.4	-63.4	-49.1	0	0	0	112.8	V726 V727 E748 T753 A759 K760 I761	V726-H757 HydrophobicContact CG1-CB 3.97Å; V727-H757 HydrophobicContact CG2-CB 3.89Å; V727-H757 VanDerWaalsContact CG2-CD2 3.41Å; V727-H757 WeakPolarHBondContact CG2-CD2 3.06Å; V727-H757 VanDerWaalsContact CG2-CG 3.46Å; E748-H757 IonicContact OE1-CD2 2.76Å; E748-H757 IonicContact OE1-CE1 3.5Å; E748-H757 IonicContact OE1-NE2 3.82Å; E748-H757 PolarHBondContact OE1-NE2 3.09Å; T753-H757 PolarHBondContact O-N 3.41Å; H757-A759 VanDerWaalsContact C-N 3.26Å; H757-A759 PolarHBondContact O-N 2.92Å; H757-K760 PolarHBondContact O-N 3.46Å; H757-I761 WeakPolarHBondContact O-CB 3.49Å; H757-I761 WeakPolarHBondContact O-CD1 3.35Å; H757-I761 WeakPolarHBondContact O-CG1 3.33Å; H757-I761 PolarHBondContact O-N 2.82Å
758	A	97.3	Very high	95.9	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-30.7	177.5	0	0	0	0	0	113	V726 C754 H756 G762 N763 M766 V767 L770	V726-A758 HydrophobicContact CG1-CB 3.95Å; C754-A758 VanDerWaalsContact O-CB 3.26Å; C754-A758 WeakPolarHBondContact O-CB 3.44Å; C754-A758 PolarHBondContact O-N 2.91Å; H756-A758 PolarHBondContact O-N 3.17Å; A758-G762 PolarHBondContact O-N 3.15Å; A758-N763 PolarHBondContact O-N 2.75Å; A758-M766 HydrophobicContact CB-CB 4.16Å; A758-M766 HydrophobicContact CB-CG 3.74Å; A758-V767 HydrophobicContact CB-CG2 3.82Å; A758-L770 HydrophobicContact CB-CD1 3.67Å
759	A	97.5	Very high	96	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-77.8	-42.3	176.2	0	0	0	0	0	112.6	L755 H756 H757 I761 G762 P788 A792 H797 V800 L804	L755-A759 WeakPolarHBondContact O-CB 3.37Å; L755-A759 PolarHBondContact O-N 2.86Å; H756-A759 PolarHBondContact O-N 2.79Å; H756-A759 VanDerWaalsContact O-N 3.16Å; H757-A759 VanDerWaalsContact C-N 3.26Å; H757-A759 PolarHBondContact O-N 2.92Å; A759-I761 VanDerWaalsContact C-N 3.29Å; A759-I761 PolarHBondContact O-N 2.79Å; A759-G762 PolarHBondContact O-N 3.48Å; A759-G762 VanDerWaalsContact O-N 3.08Å; A759-P788 HydrophobicContact CB-CB 3.95Å; A759-P788 VanDerWaalsContact CB-O 3.24Å; A759-P788 WeakPolarHBondContact CB-O 3.43Å; A759-A792 HydrophobicContact CB-CB 4.3Å; A759-H797 PolarHBondContact O-CD2 2.76Å; A759-H797 VanDerWaalsContact O-CD2 3.29Å; A759-V800 HydrophobicContact CB-CG1 4.09Å; A759-L804 HydrophobicContact CB-CD1 4.47Å
760	K	96.7	Very high	96.2	Very high	80 Å²	80	26.4 Å²	26.4	35%	0.348	14%	0.143	S	C	.	.	H	α-helix	trans	-58.3	-39.9	172.5	-169.2	176.9	-171.8	170.4	0	112.1	H756 H757 G762 W791 H795 H797	H756-K760 PolarHBondContact O-N 3.46Å; H757-K760 PolarHBondContact O-N 3.46Å; K760-G762 VanDerWaalsContact C-N 3.29Å; K760-G762 PolarHBondContact O-N 3.29Å; K760-W791 HydrophobicContact CB-CB 4.46Å; K760-W791 HydrophobicContact CB-CE3 4.28Å; K760-W791 HydrophobicContact CD-CD2 4.48Å; K760-W791 HydrophobicContact CD-CE3 3.64Å; K760-W791 HydrophobicContact CD-CH2 4.46Å; K760-W791 HydrophobicContact CD-CZ3 3.65Å; K760-W791 HydrophobicContact CG-CE3 3.89Å; K760-W791 HydrophobicContact CG-CZ3 4.37Å; K760-H795 WeakPolarHBondContact CE-CE1 3.33Å; K760-H795 WeakPolarHBondContact CE-NE2 3.4Å; K760-H795 WeakPolarHBondContact CG-NE2 3.26Å; K760-H795 PolarHBondContact O-CD2 3.23Å; K760-H795 VanDerWaalsContact O-CD2 3.25Å; K760-H797 PolarHBondContact O-CD2 2.85Å; K760-H797 PolarHBondContact O-NE2 3.49Å; K760-H797 VanDerWaalsContact O-NE2 3.1Å
761	I	96.4	Very high	96.3	Very high	59 Å²	59	24.1 Å²	24.1	30%	0.303	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.8	178	-67.3	166.8	0	0	0	112.7	V726 N729 H757 A759 N763	V726-I761 VanDerWaalsContact O-CD1 3.32Å; V726-I761 WeakPolarHBondContact O-CD1 3.28Å; N729-I761 HydrophobicContact CB-CG2 4.25Å; H757-I761 WeakPolarHBondContact O-CB 3.49Å; H757-I761 WeakPolarHBondContact O-CD1 3.35Å; H757-I761 WeakPolarHBondContact O-CG1 3.33Å; H757-I761 PolarHBondContact O-N 2.82Å; A759-I761 VanDerWaalsContact C-N 3.29Å; A759-I761 PolarHBondContact O-N 2.79Å; I761-N763 HydrophobicContact CG2-CB 4.2Å; I761-N763 PolarHBondContact O-N 3.02Å
762	G	96.1	Very high	96.3	Very high	18 Å²	18	27.4 Å²	27.4	19%	0.186	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	2.6	179.8	0	0	0	0	0	116	A758 A759 K760 L764 H797 V800	A758-G762 PolarHBondContact O-N 3.15Å; A759-G762 PolarHBondContact O-N 3.48Å; A759-G762 VanDerWaalsContact O-N 3.08Å; K760-G762 VanDerWaalsContact C-N 3.29Å; K760-G762 PolarHBondContact O-N 3.29Å; G762-L764 PolarHBondContact O-N 3.39Å; G762-H797 WeakPolarHBondContact CA-CD2 3.16Å; G762-H797 WeakPolarHBondContact CA-NE2 3.02Å; G762-H797 PolarHBondContact N-CD2 3.14Å; G762-H797 PolarHBondContact N-NE2 2.86Å; G762-V800 WeakPolarHBondContact O-CG2 3.49Å
763	N	95.8	Very high	96.1	Very high	32 Å²	32	29 Å²	29	17%	0.171	16%	0.161	C	C	.	.			trans	-74.2	94.8	-176	-175	-21.8	0	0	0	111.5	N729 A758 I761 E765 M766 V767	N729-N763 PolarHBondContact OD1-ND2 2.86Å; A758-N763 PolarHBondContact O-N 2.75Å; I761-N763 HydrophobicContact CG2-CB 4.2Å; I761-N763 PolarHBondContact O-N 3.02Å; N763-E765 VanDerWaalsContact C-N 3.29Å; N763-E765 PolarHBondContact O-N 3.41Å; N763-E765 WeakPolarHBondContact OD1-CA 3.34Å; N763-E765 WeakPolarHBondContact OD1-CB 3.46Å; N763-E765 PolarHBondContact OD1-N 2.98Å; N763-M766 HydrophobicContact CB-CB 3.79Å; N763-M766 WeakPolarHBondContact O-CB 3.47Å; N763-M766 PolarHBondContact O-N 2.81Å; N763-M766 PolarHBondContact OD1-N 2.85Å; N763-V767 WeakPolarHBondContact O-CG2 3.35Å; N763-V767 PolarHBondContact O-N 2.93Å
764	L	96.6	Very high	95.7	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.366	20%	0.195	S	C	.	.	H	α-helix	trans	-55.2	-36.7	177.4	-176.8	62.6	0	0	0	113.7	G762 S768 E799 V800 M803	G762-L764 PolarHBondContact O-N 3.39Å; L764-S768 WeakPolarHBondContact O-CB 3.48Å; L764-S768 PolarHBondContact O-N 2.73Å; L764-E799 HydrophobicContact CD2-CB 4.31Å; L764-V800 HydrophobicContact CB-CG2 4.43Å; L764-M803 HydrophobicContact CD1-CB 3.68Å; L764-M803 HydrophobicContact CD1-CE 4.06Å; L764-M803 HydrophobicContact CD1-CG 4Å
765	E	96.9	Very high	95.4	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	22%	0.222	S	C	.	.	H	α-helix	trans	-68.9	-38.3	174.9	-81.4	-159.7	-125.8	0	0	112.2	L731 R735 N763 S768 L769	L731-E765 HydrophobicContact CD1-CB 4.21Å; L731-E765 HydrophobicContact CD2-CB 3.65Å; L731-E765 HydrophobicContact CD2-CG 4.37Å; L731-E765 WeakPolarHBondContact CD2-OE2 3.19Å; R735-E765 IonicContact NH2-OE2 2.78Å; R735-E765 PolarHBondContact NH2-OE2 2.74Å; N763-E765 VanDerWaalsContact C-N 3.29Å; N763-E765 PolarHBondContact O-N 3.41Å; N763-E765 WeakPolarHBondContact OD1-CA 3.34Å; N763-E765 WeakPolarHBondContact OD1-CB 3.46Å; N763-E765 PolarHBondContact OD1-N 2.98Å; E765-S768 PolarHBondContact O-N 2.82Å; E765-L769 WeakPolarHBondContact O-CB 3.44Å; E765-L769 PolarHBondContact O-N 3.01Å
766	M	97.1	Very high	95.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-44.2	175.8	-167.8	78.4	76.6	0	0	111	V726 L731 A734 A758 N763 L769 L770	V726-M766 HydrophobicContact CB-SD 4.49Å; V726-M766 HydrophobicContact CG1-CG 4.11Å; V726-M766 HydrophobicContact CG2-CG 4.3Å; V726-M766 HydrophobicContact CG2-SD 3.85Å; L731-M766 HydrophobicContact CB-CE 4.12Å; L731-M766 HydrophobicContact CD1-CB 4.16Å; L731-M766 HydrophobicContact CD1-CE 4.24Å; L731-M766 HydrophobicContact CD1-SD 3.87Å; A734-M766 HydrophobicContact CB-CE 4.28Å; A734-M766 HydrophobicContact CB-SD 3.55Å; A734-M766 VanDerWaalsContact CB-SD 3.55Å; A758-M766 HydrophobicContact CB-CB 4.16Å; A758-M766 HydrophobicContact CB-CG 3.74Å; N763-M766 HydrophobicContact CB-CB 3.79Å; N763-M766 WeakPolarHBondContact O-CB 3.47Å; N763-M766 PolarHBondContact O-N 2.81Å; N763-M766 PolarHBondContact OD1-N 2.85Å; M766-L769 PolarHBondContact O-N 2.97Å; M766-L770 HydrophobicContact CG-CD1 4.36Å; M766-L770 WeakPolarHBondContact O-CB 3.34Å; M766-L770 VanDerWaalsContact O-CG 3.28Å; M766-L770 WeakPolarHBondContact O-CG 3.25Å; M766-L770 PolarHBondContact O-N 2.89Å
767	V	97.1	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-49	173.6	170.2	0	0	0	0	110.3	L755 A758 N763 L769 L770 L771 V800 M803 L804	L755-V767 HydrophobicContact CD1-CG1 4.1Å; L755-V767 HydrophobicContact CD1-CG2 4.4Å; A758-V767 HydrophobicContact CB-CG2 3.82Å; N763-V767 WeakPolarHBondContact O-CG2 3.35Å; N763-V767 PolarHBondContact O-N 2.93Å; V767-L769 PolarHBondContact O-N 2.97Å; V767-L770 PolarHBondContact O-N 3.33Å; V767-L771 HydrophobicContact CG1-CD1 3.58Å; V767-L771 HydrophobicContact CG1-CG 4.33Å; V767-L771 WeakPolarHBondContact O-CB 3.1Å; V767-L771 VanDerWaalsContact O-CG 3.24Å; V767-L771 WeakPolarHBondContact O-CG 3.36Å; V767-L771 PolarHBondContact O-N 2.77Å; V767-V800 HydrophobicContact CG1-CG1 4.48Å; V767-V800 HydrophobicContact CG2-CG1 4.03Å; V767-V800 HydrophobicContact CG2-CG2 4.3Å; V767-M803 HydrophobicContact CG1-CG 4.02Å; V767-L804 HydrophobicContact CG1-CD2 4.47Å
768	S	96.7	Very high	95.1	Very high	43 Å²	43	42.7 Å²	42.7	30%	0.301	25%	0.25	S	S	.	.	H	α-helix	trans	-60.4	-44.2	177.2	-173.5	0	0	0	0	112.2	L764 E765 L771 S772	L764-S768 WeakPolarHBondContact O-CB 3.48Å; L764-S768 PolarHBondContact O-N 2.73Å; E765-S768 PolarHBondContact O-N 2.82Å; S768-L771 PolarHBondContact O-N 3.09Å; S768-S772 VanDerWaalsContact O-CB 3.26Å; S768-S772 WeakPolarHBondContact O-CB 3.49Å; S768-S772 PolarHBondContact O-N 3.43Å
769	L	96	Very high	95	Very high	20 Å²	20	44.7 Å²	44.7	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-50.8	174.7	171.6	65.8	0	0	0	111.7	L731 A734 R735 E765 M766 V767 S772	L731-L769 HydrophobicContact CD1-CD2 3.98Å; A734-L769 HydrophobicContact CB-CD2 4.13Å; R735-L769 HydrophobicContact CB-CD1 4.44Å; R735-L769 HydrophobicContact CB-CD2 3.98Å; R735-L769 HydrophobicContact CG-CD1 4.07Å; R735-L769 HydrophobicContact CG-CD2 4.46Å; E765-L769 WeakPolarHBondContact O-CB 3.44Å; E765-L769 PolarHBondContact O-N 3.01Å; M766-L769 PolarHBondContact O-N 2.97Å; V767-L769 PolarHBondContact O-N 2.97Å; L769-S772 PolarHBondContact O-N 3.3Å; L769-S772 PolarHBondContact O-OG 2.96Å
770	L	95.9	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-47.4	179.9	-70.2	169.7	0	0	0	111.3	V744 C754 A758 M766 V767 S772 T773 V776	V744-L770 HydrophobicContact CB-CD2 4.24Å; V744-L770 HydrophobicContact CG1-CD2 3.85Å; C754-L770 HydrophobicContact CB-CD1 3.77Å; C754-L770 HydrophobicContact CB-CD2 3.78Å; C754-L770 HydrophobicContact CB-CG 4.45Å; C754-L770 WeakPolarHBondContact O-CD1 3.34Å; A758-L770 HydrophobicContact CB-CD1 3.67Å; M766-L770 HydrophobicContact CG-CD1 4.36Å; M766-L770 WeakPolarHBondContact O-CB 3.34Å; M766-L770 VanDerWaalsContact O-CG 3.28Å; M766-L770 WeakPolarHBondContact O-CG 3.25Å; M766-L770 PolarHBondContact O-N 2.89Å; V767-L770 PolarHBondContact O-N 3.33Å; L770-S772 VanDerWaalsContact C-N 3.32Å; L770-S772 PolarHBondContact O-N 3.37Å; L770-T773 WeakPolarHBondContact O-CB 3.36Å; L770-T773 PolarHBondContact O-N 2.92Å; L770-T773 PolarHBondContact O-OG1 3.49Å; L770-V776 HydrophobicContact CB-CG2 4.43Å; L770-V776 WeakPolarHBondContact O-CG2 3.34Å
771	L	94.8	Very high	95	Very high	12 Å²	12	45 Å²	45	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-25.9	-180	-65.5	176	0	0	0	113.1	L755 V767 S768 T773 G774 V776 V778 M803 L804 R807	L755-L771 HydrophobicContact CD1-CD1 4.37Å; L755-L771 HydrophobicContact CD1-CD2 4.08Å; L755-L771 HydrophobicContact CD1-CG 4.04Å; L755-L771 HydrophobicContact CD2-CD2 3.75Å; V767-L771 HydrophobicContact CG1-CD1 3.58Å; V767-L771 HydrophobicContact CG1-CG 4.33Å; V767-L771 WeakPolarHBondContact O-CB 3.1Å; V767-L771 VanDerWaalsContact O-CG 3.24Å; V767-L771 WeakPolarHBondContact O-CG 3.36Å; V767-L771 PolarHBondContact O-N 2.77Å; S768-L771 PolarHBondContact O-N 3.09Å; L771-T773 PolarHBondContact O-N 3.13Å; L771-G774 PolarHBondContact O-N 3.44Å; L771-V776 HydrophobicContact CD2-CB 4.48Å; L771-V776 HydrophobicContact CD2-CG1 4.46Å; L771-V778 HydrophobicContact CD2-CG2 3.84Å; L771-M803 HydrophobicContact CD1-CG 4.3Å; L771-L804 HydrophobicContact CD1-CD2 4.13Å; L771-R807 HydrophobicContact CD1-CB 4.39Å; L771-R807 HydrophobicContact CD1-CG 3.99Å
772	S	93.5	Very high	95	Very high	83 Å²	83	43 Å²	43	58%	0.58	25%	0.254	S	S	*	.	H	α-helix	trans	-63.2	-20.2	175.5	76.5	0	0	0	0	113.6	S768 L769 L770 G774	S768-S772 VanDerWaalsContact O-CB 3.26Å; S768-S772 WeakPolarHBondContact O-CB 3.49Å; S768-S772 PolarHBondContact O-N 3.43Å; L769-S772 PolarHBondContact O-N 3.3Å; L769-S772 PolarHBondContact O-OG 2.96Å; L770-S772 VanDerWaalsContact C-N 3.32Å; L770-S772 PolarHBondContact O-N 3.37Å; S772-G774 VanDerWaalsContact C-N 3.29Å; S772-G774 PolarHBondContact O-N 3.1Å
773	T	90.9	Very high	94.9	Very high	38 Å²	38	46.1 Å²	46.1	23%	0.233	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-20.2	179	66.9	0	0	0	0	114	V738 V744 L770 L771 Q775	V738-T773 HydrophobicContact CG1-CG2 3.75Å; V744-T773 HydrophobicContact CG1-CG2 4.09Å; V744-T773 HydrophobicContact CG2-CG2 4.48Å; L770-T773 WeakPolarHBondContact O-CB 3.36Å; L770-T773 PolarHBondContact O-N 2.92Å; L770-T773 PolarHBondContact O-OG1 3.49Å; L771-T773 PolarHBondContact O-N 3.13Å; T773-Q775 PolarHBondContact O-N 3.2Å; T773-Q775 VanDerWaalsContact O-N 3.16Å; T773-Q775 PolarHBondContact OG1-N 3.31Å
774	G	86.8	Confident	94.9	Very high	73 Å²	73	45.8 Å²	45.8	75%	0.753	28%	0.277	S	S	*	.	S	Bend	trans	63.5	11.5	-174.1	0	0	0	0	0	115.1	L771 S772	L771-G774 PolarHBondContact O-N 3.44Å; S772-G774 VanDerWaalsContact C-N 3.29Å; S772-G774 PolarHBondContact O-N 3.1Å
775	Q	89.5	Confident	94.8	Very high	122 Å²	122	42.6 Å²	42.6	57%	0.57	26%	0.261	S	S	*	.			trans	-110.2	-7.7	-178.1	-67.7	178	19.6	0	0	113.6	V744 Y745 T773	V744-Q775 HydrophobicContact CG2-CB 3.98Å; Y745-Q775 HydrophobicContact CD1-CB 4.23Å; T773-Q775 PolarHBondContact O-N 3.2Å; T773-Q775 VanDerWaalsContact O-N 3.16Å; T773-Q775 PolarHBondContact OG1-N 3.31Å
776	V	93.3	Very high	94.9	Very high	18 Å²	18	39 Å²	39	11%	0.109	24%	0.243	C	C	.	.	S	Bend	trans	-93.1	127.4	-177.9	-178	0	0	0	0	109	V744 L755 L770 L771 V778	V744-V776 HydrophobicContact CB-CG2 3.73Å; V744-V776 HydrophobicContact CG2-CG2 3.61Å; L755-V776 HydrophobicContact CB-CG1 3.81Å; L755-V776 HydrophobicContact CD2-CG1 3.64Å; L755-V776 HydrophobicContact CG-CG1 4.26Å; L770-V776 HydrophobicContact CB-CG2 4.43Å; L770-V776 WeakPolarHBondContact O-CG2 3.34Å; L771-V776 HydrophobicContact CD2-CB 4.48Å; L771-V776 HydrophobicContact CD2-CG1 4.46Å; V776-V778 PolarHBondContact O-N 2.71Å
777	D	95	Very high	94.9	Very high	97 Å²	97	39.1 Å²	39.1	52%	0.519	24%	0.244	S	C	.	.			trans	-76.1	115.6	170.3	178.4	9.7	0	0	0	109.6	N779 A780	D777-N779 PolarHBondContact O-N 3Å; D777-N779 PolarHBondContact OD1-N 2.88Å; D777-A780 HydrophobicContact CB-CB 4.05Å; D777-A780 WeakPolarHBondContact O-CB 3.3Å; D777-A780 PolarHBondContact O-N 3.32Å; D777-A780 PolarHBondContact OD1-N 2.61Å; D777-A780 PolarHBondContact OD2-N 2.78Å
778	V	96.3	Very high	94.9	Very high	17 Å²	17	39.1 Å²	39.1	10%	0.103	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-29.1	179.5	-171.3	0	0	0	0	111.3	L771 V776 L804 R807 A809	L771-V778 HydrophobicContact CD2-CG2 3.84Å; V776-V778 PolarHBondContact O-N 2.71Å; V778-L804 HydrophobicContact CG1-CD2 3.87Å; V778-R807 HydrophobicContact CG2-CB 4.22Å; V778-A809 HydrophobicContact CG1-CB 3.88Å
779	N	96.5	Very high	94.9	Very high	43 Å²	43	37.1 Å²	37.1	23%	0.23	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	14.5	-174.6	-67.2	-54.2	0	0	0	112.3	D777 Q781 G808 A809 D810 L813	D777-N779 PolarHBondContact O-N 3Å; D777-N779 PolarHBondContact OD1-N 2.88Å; N779-Q781 PolarHBondContact O-N 3.28Å; N779-G808 PolarHBondContact ND2-O 2.91Å; N779-A809 WeakPolarHBondContact OD1-CA 3.31Å; N779-D810 PolarHBondContact OD1-N 2.9Å; N779-L813 HydrophobicContact CB-CD1 3.71Å
780	A	96.3	Very high	94.9	Very high	6 Å²	6	36.1 Å²	36.1	5%	0.05	22%	0.224	C	C	.	.			trans	-59.1	128.4	174.5	0	0	0	0	0	109.9	T753 H756 D777 P788	T753-A780 HydrophobicContact CG2-CB 4.24Å; H756-A780 PolarHBondContact CE1-O 2.7Å; H756-A780 PolarHBondContact NE2-O 2.63Å; H756-A780 VanDerWaalsContact NE2-O 3.17Å; D777-A780 HydrophobicContact CB-CB 4.05Å; D777-A780 WeakPolarHBondContact O-CB 3.3Å; D777-A780 PolarHBondContact O-N 3.32Å; D777-A780 PolarHBondContact OD1-N 2.61Å; D777-A780 PolarHBondContact OD2-N 2.78Å; A780-P788 WeakPolarHBondContact O-CD 3.47Å
781	Q	96.6	Very high	95	Very high	79 Å²	79	38.3 Å²	38.3	37%	0.369	23%	0.233	S	C	.	.			trans	-96.3	144	173.5	-66.6	176.4	-75.8	0	0	111.8	K747 N779 G785 W786 T787 T814	K747-Q781 PolarHBondContact NZ-O 2.86Å; N779-Q781 PolarHBondContact O-N 3.28Å; Q781-G785 WeakPolarHBondContact CG-O 3.31Å; Q781-G785 PolarHBondContact NE2-O 2.85Å; Q781-W786 CarbonylContact C-O 2.96Å; Q781-W786 VanDerWaalsContact CA-O 3.24Å; Q781-W786 WeakPolarHBondContact CA-O 3.48Å; Q781-T787 HydrophobicContact CG-CG2 3.68Å; Q781-T814 PolarHBondContact NE2-O 3.18Å
782	D	96.3	Very high	95.1	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.102	23%	0.23	C	C	.	.			trans	-83.9	-167.2	166	63.3	37.6	0	0	0	112.2	H756 G784 G785 W786 W791	H756-D782 IonicContact CD2-OD2 3.44Å; H756-D782 PolarHBondContact CD2-OD2 2.9Å; H756-D782 PolarHBondContact NE2-N 3.12Å; H756-D782 IonicContact NE2-OD2 3.87Å; D782-G784 VanDerWaalsContact C-N 3.34Å; D782-G784 WeakPolarHBondContact OD1-CA 3.06Å; D782-G784 PolarHBondContact OD1-N 3.28Å; D782-G785 PolarHBondContact O-N 2.93Å; D782-G785 VanDerWaalsContact O-N 3.14Å; D782-G785 PolarHBondContact OD1-N 3.19Å; D782-W786 PolarHBondContact N-O 2.82Å; D782-W786 PolarHBondContact OD1-N 3.36Å; D782-W786 WeakPolarHBondContact OD2-CB 3.3Å; D782-W791 PolarHBondContact OD2-NE1 2.72Å
783	S	95.8	Very high	95.2	Very high	82 Å²	82	33.8 Å²	33.8	57%	0.573	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.4	-178.4	55.5	0	0	0	0	114.4	D750 N816	D750-S783 WeakPolarHBondContact O-CA 3.37Å; D750-S783 WeakPolarHBondContact O-CB 3.43Å; D750-S783 PolarHBondContact O-N 2.91Å; D750-S783 PolarHBondContact O-OG 3.36Å; S783-N816 PolarHBondContact O-ND2 3.34Å
784	G	94.9	Very high	95.4	Very high	25 Å²	25	34.4 Å²	34.4	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-8.9	166.4	0	0	0	0	0	112.8	D782 N816	D782-G784 VanDerWaalsContact C-N 3.34Å; D782-G784 WeakPolarHBondContact OD1-CA 3.06Å; D782-G784 PolarHBondContact OD1-N 3.28Å; G784-N816 VanDerWaalsContact C-CG 3.45Å; G784-N816 WeakPolarHBondContact CA-ND2 3.45Å; G784-N816 WeakPolarHBondContact O-CB 3.44Å; G784-N816 PolarHBondContact O-N 3.29Å; G784-N816 PolarHBondContact O-ND2 2.99Å
785	G	95.7	Very high	95.8	Very high	4 Å²	4	34.1 Å²	34.1	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	80.7	4.5	-168.5	0	0	0	0	0	112.7	Q781 D782	Q781-G785 WeakPolarHBondContact CG-O 3.31Å; Q781-G785 PolarHBondContact NE2-O 2.85Å; D782-G785 PolarHBondContact O-N 2.93Å; D782-G785 VanDerWaalsContact O-N 3.14Å; D782-G785 PolarHBondContact OD1-N 3.19Å
786	W	97.3	Very high	96.2	Very high	38 Å²	38	34.6 Å²	34.6	14%	0.144	18%	0.181	C	C	.	.			trans	-76.6	147.7	-175.3	-70.6	33	0	0	0	110.4	H756 Q781 D782 I790 W791 E794 D815 W824	H756-W786 PolarHBondContact NE2-O 2.86Å; Q781-W786 CarbonylContact C-O 2.96Å; Q781-W786 VanDerWaalsContact CA-O 3.24Å; Q781-W786 WeakPolarHBondContact CA-O 3.48Å; D782-W786 PolarHBondContact N-O 2.82Å; D782-W786 PolarHBondContact OD1-N 3.36Å; D782-W786 WeakPolarHBondContact OD2-CB 3.3Å; W786-I790 HydrophobicContact CB-CG2 4.4Å; W786-I790 HydrophobicContact CD2-CG2 3.8Å; W786-I790 HydrophobicContact CE3-CG2 3.67Å; W786-I790 HydrophobicContact CG-CG2 4.14Å; W786-I790 HydrophobicContact CZ3-CG2 4.21Å; W786-W791 AromaticContact CE3-CD2 3.74Å; W786-W791 HydrophobicContact CE3-CD2 3.74Å; W786-W791 AromaticContact CE3-CE2 3.67Å; W786-W791 HydrophobicContact CE3-CE3 4.01Å; W786-W791 HydrophobicContact CE3-CG 4.18Å; W786-W791 HydrophobicContact CE3-CH2 4.19Å; W786-W791 AromaticContact CE3-CZ2 3.95Å; W786-W791 HydrophobicContact CE3-CZ2 3.95Å; W786-W791 HydrophobicContact CE3-CZ3 4.2Å; W786-W791 AromaticContact CE3-NE1 3.99Å; W786-W791 HydrophobicContact CZ3-CD2 4.14Å; W786-W791 AromaticContact CZ3-CE3 3.92Å; W786-W791 HydrophobicContact CZ3-CE3 3.92Å; W786-W791 HydrophobicContact CZ3-CH2 4.16Å; W786-W791 HydrophobicContact CZ3-CZ2 4.38Å; W786-W791 AromaticContact CZ3-CZ3 3.9Å; W786-W791 HydrophobicContact CZ3-CZ3 3.9Å; W786-E794 VanDerWaalsContact CH2-OE1 3.29Å; W786-E794 WeakPolarHBondContact CH2-OE1 3.47Å; W786-E794 HydrophobicContact CZ3-CB 4.41Å; W786-E794 VanDerWaalsContact CZ3-CD 3.5Å; W786-E794 HydrophobicContact CZ3-CG 4.42Å; W786-E794 WeakPolarHBondContact CZ3-OE1 3.19Å; W786-E794 WeakPolarHBondContact CZ3-OE2 3.38Å; W786-D815 VanDerWaalsContact CD1-CB 3.42Å; W786-D815 HydrophobicContact CG-CB 4.43Å; W786-W824 AromaticContact CE2-CZ2 3.86Å; W786-W824 HydrophobicContact CH2-CD2 4.45Å; W786-W824 HydrophobicContact CH2-CE3 4.18Å; W786-W824 AromaticContact CH2-CH2 3.66Å; W786-W824 HydrophobicContact CH2-CH2 3.66Å; W786-W824 AromaticContact CH2-CZ2 3.91Å; W786-W824 HydrophobicContact CH2-CZ2 3.91Å; W786-W824 AromaticContact CH2-CZ3 3.78Å; W786-W824 HydrophobicContact CH2-CZ3 3.78Å; W786-W824 HydrophobicContact CZ2-CD2 4.48Å; W786-W824 AromaticContact CZ2-CE2 3.85Å; W786-W824 HydrophobicContact CZ2-CE3 4.48Å; W786-W824 AromaticContact CZ2-CH2 3.32Å; W786-W824 HydrophobicContact CZ2-CH2 3.32Å; W786-W824 AromaticContact CZ2-CZ2 3.26Å; W786-W824 HydrophobicContact CZ2-CZ2 3.26Å; W786-W824 AromaticContact CZ2-CZ3 3.95Å; W786-W824 HydrophobicContact CZ2-CZ3 3.95Å
787	T	97.1	Very high	96.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	19%	0.189	C	C	.	.			trans	-110.9	161.7	177.4	57	0	0	0	0	110.1	Q781 I789 I790 W791 L813	Q781-T787 HydrophobicContact CG-CG2 3.68Å; T787-I789 PolarHBondContact O-N 2.62Å; T787-I789 VanDerWaalsContact O-N 3.1Å; T787-I789 VanDerWaalsContact OG1-CG2 3.29Å; T787-I789 WeakPolarHBondContact OG1-CG2 3.28Å; T787-I790 WeakPolarHBondContact O-CB 3.41Å; T787-I790 PolarHBondContact O-N 3.01Å; T787-I790 WeakPolarHBondContact OG1-CG1 3.4Å; T787-W791 PolarHBondContact O-N 2.66Å; T787-W791 VanDerWaalsContact O-N 3.08Å; T787-L813 HydrophobicContact CG2-CB 4.35Å; T787-L813 HydrophobicContact CG2-CD1 4.05Å
788	P	97.4	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-54.2	-30	175.4	-28.8	35.6	0	0	0	114.6	L755 A759 A780 A792 L804	L755-P788 HydrophobicContact CB-CG 4.16Å; L755-P788 HydrophobicContact CD2-CB 4.17Å; L755-P788 HydrophobicContact CD2-CG 3.84Å; L755-P788 HydrophobicContact CG-CB 3.87Å; L755-P788 HydrophobicContact CG-CG 3.77Å; A759-P788 HydrophobicContact CB-CB 3.95Å; A759-P788 VanDerWaalsContact CB-O 3.24Å; A759-P788 WeakPolarHBondContact CB-O 3.43Å; A780-P788 WeakPolarHBondContact O-CD 3.47Å; P788-A792 WeakPolarHBondContact O-CB 3.48Å; P788-A792 PolarHBondContact O-N 2.74Å; P788-L804 HydrophobicContact CB-CD1 4.14Å; P788-L804 HydrophobicContact CB-CD2 4.3Å
789	I	97.2	Very high	96.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-75.6	-29.2	177	-169.2	169.6	0	0	0	112.4	T787 A793 I801 L804 L805 A809 V811 L837	T787-I789 PolarHBondContact O-N 2.62Å; T787-I789 VanDerWaalsContact O-N 3.1Å; T787-I789 VanDerWaalsContact OG1-CG2 3.29Å; T787-I789 WeakPolarHBondContact OG1-CG2 3.28Å; I789-A793 WeakPolarHBondContact O-CB 3.35Å; I789-A793 PolarHBondContact O-N 3.17Å; I789-I801 HydrophobicContact CD1-CG2 4.04Å; I789-I801 HydrophobicContact CG1-CG1 4.4Å; I789-I801 HydrophobicContact CG1-CG2 4.07Å; I789-L804 HydrophobicContact CB-CB 4.49Å; I789-L804 HydrophobicContact CB-CD1 4.02Å; I789-L805 HydrophobicContact CD1-CD2 3.64Å; I789-L805 HydrophobicContact CD1-CG 3.8Å; I789-A809 HydrophobicContact CB-CB 4.3Å; I789-A809 HydrophobicContact CD1-CB 3.82Å; I789-A809 HydrophobicContact CG2-CB 4.29Å; I789-V811 HydrophobicContact CD1-CG1 4.45Å; I789-L837 HydrophobicContact CD1-CD2 4.26Å
790	I	96.9	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.6	-49.6	171.4	-68.5	170.3	0	0	0	109.9	W786 T787 A792 A793 E794 C821 W824	W786-I790 HydrophobicContact CB-CG2 4.4Å; W786-I790 HydrophobicContact CD2-CG2 3.8Å; W786-I790 HydrophobicContact CE3-CG2 3.67Å; W786-I790 HydrophobicContact CG-CG2 4.14Å; W786-I790 HydrophobicContact CZ3-CG2 4.21Å; T787-I790 WeakPolarHBondContact O-CB 3.41Å; T787-I790 PolarHBondContact O-N 3.01Å; T787-I790 WeakPolarHBondContact OG1-CG1 3.4Å; I790-A792 VanDerWaalsContact C-N 3.26Å; I790-A792 PolarHBondContact O-N 2.87Å; I790-A793 PolarHBondContact O-N 3.05Å; I790-E794 PolarHBondContact O-N 3.47Å; I790-C821 HydrophobicContact CG1-CB 4Å; I790-W824 HydrophobicContact CG2-CB 4.44Å; I790-W824 HydrophobicContact CG2-CD2 4.26Å; I790-W824 HydrophobicContact CG2-CG 3.8Å
791	W	97	Very high	96.6	Very high	45 Å²	45	35.6 Å²	35.6	17%	0.17	18%	0.179	C	C	.	.	H	α-helix	trans	-55	-39.6	174.6	-79.3	107	0	0	0	112.7	H756 K760 D782 W786 T787 E794 H795	H756-W791 AromaticContact CD2-CD1 3.79Å; H756-W791 AromaticContact CD2-NE1 3.75Å; K760-W791 HydrophobicContact CB-CB 4.46Å; K760-W791 HydrophobicContact CB-CE3 4.28Å; K760-W791 HydrophobicContact CD-CD2 4.48Å; K760-W791 HydrophobicContact CD-CE3 3.64Å; K760-W791 HydrophobicContact CD-CH2 4.46Å; K760-W791 HydrophobicContact CD-CZ3 3.65Å; K760-W791 HydrophobicContact CG-CE3 3.89Å; K760-W791 HydrophobicContact CG-CZ3 4.37Å; D782-W791 PolarHBondContact OD2-NE1 2.72Å; W786-W791 AromaticContact CE3-CD2 3.74Å; W786-W791 HydrophobicContact CE3-CD2 3.74Å; W786-W791 AromaticContact CE3-CE2 3.67Å; W786-W791 HydrophobicContact CE3-CE3 4.01Å; W786-W791 HydrophobicContact CE3-CG 4.18Å; W786-W791 HydrophobicContact CE3-CH2 4.19Å; W786-W791 AromaticContact CE3-CZ2 3.95Å; W786-W791 HydrophobicContact CE3-CZ2 3.95Å; W786-W791 HydrophobicContact CE3-CZ3 4.2Å; W786-W791 AromaticContact CE3-NE1 3.99Å; W786-W791 HydrophobicContact CZ3-CD2 4.14Å; W786-W791 AromaticContact CZ3-CE3 3.92Å; W786-W791 HydrophobicContact CZ3-CE3 3.92Å; W786-W791 HydrophobicContact CZ3-CH2 4.16Å; W786-W791 HydrophobicContact CZ3-CZ2 4.38Å; W786-W791 AromaticContact CZ3-CZ3 3.9Å; W786-W791 HydrophobicContact CZ3-CZ3 3.9Å; T787-W791 PolarHBondContact O-N 2.66Å; T787-W791 VanDerWaalsContact O-N 3.08Å; W791-E794 VanDerWaalsContact CZ3-OE2 3.27Å; W791-E794 WeakPolarHBondContact CZ3-OE2 3.43Å; W791-H795 WeakPolarHBondContact O-CB 3.4Å; W791-H795 PolarHBondContact O-N 3.36Å; W791-H795 VanDerWaalsContact O-N 3.15Å; W791-H795 PolarHBondContact O-ND1 3.19Å
792	A	97.2	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.1	-29.9	174.8	0	0	0	0	0	113.8	A759 P788 I790 H795 K796 H797 V800 I801 L804	A759-A792 HydrophobicContact CB-CB 4.3Å; P788-A792 WeakPolarHBondContact O-CB 3.48Å; P788-A792 PolarHBondContact O-N 2.74Å; I790-A792 VanDerWaalsContact C-N 3.26Å; I790-A792 PolarHBondContact O-N 2.87Å; A792-H795 CarbonylContact O-C 3.51Å; A792-K796 PolarHBondContact O-N 3.02Å; A792-H797 HydrophobicContact CB-CB 4.32Å; A792-H797 PolarHBondContact O-N 2.94Å; A792-V800 HydrophobicContact CB-CB 4.32Å; A792-V800 HydrophobicContact CB-CG1 3.82Å; A792-I801 HydrophobicContact CB-CD1 4.34Å; A792-I801 HydrophobicContact CB-CG1 3.64Å; A792-L804 HydrophobicContact CB-CD1 4.41Å
793	A	96	Very high	96.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-77.2	-37.5	177.9	0	0	0	0	0	112.9	I789 I790 K796 I801 T828 I833	I789-A793 WeakPolarHBondContact O-CB 3.35Å; I789-A793 PolarHBondContact O-N 3.17Å; I790-A793 PolarHBondContact O-N 3.05Å; A793-K796 PolarHBondContact O-N 3.44Å; A793-I801 HydrophobicContact CB-CD1 3.93Å; A793-T828 PolarHBondContact O-OG1 3.19Å; A793-I833 HydrophobicContact CB-CG2 4.25Å
794	E	95.3	Very high	96.7	Very high	52 Å²	52	34.4 Å²	34.4	24%	0.243	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-50.7	167.9	-176.2	-164.8	-138.2	0	0	110.3	W786 I790 W791 K796 T828	W786-E794 VanDerWaalsContact CH2-OE1 3.29Å; W786-E794 WeakPolarHBondContact CH2-OE1 3.47Å; W786-E794 HydrophobicContact CZ3-CB 4.41Å; W786-E794 VanDerWaalsContact CZ3-CD 3.5Å; W786-E794 HydrophobicContact CZ3-CG 4.42Å; W786-E794 WeakPolarHBondContact CZ3-OE1 3.19Å; W786-E794 WeakPolarHBondContact CZ3-OE2 3.38Å; I790-E794 PolarHBondContact O-N 3.47Å; W791-E794 VanDerWaalsContact CZ3-OE2 3.27Å; W791-E794 WeakPolarHBondContact CZ3-OE2 3.43Å; E794-K796 PolarHBondContact O-N 3.05Å; E794-T828 WeakPolarHBondContact O-CG2 3.29Å
795	H	95.2	Very high	96.7	Very high	67 Å²	67	35 Å²	35	31%	0.31	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	18.9	-178.2	-70.3	49.7	0	0	0	113.9	K760 W791 A792 H797	K760-H795 WeakPolarHBondContact CE-CE1 3.33Å; K760-H795 WeakPolarHBondContact CE-NE2 3.4Å; K760-H795 WeakPolarHBondContact CG-NE2 3.26Å; K760-H795 PolarHBondContact O-CD2 3.23Å; K760-H795 VanDerWaalsContact O-CD2 3.25Å; W791-H795 WeakPolarHBondContact O-CB 3.4Å; W791-H795 PolarHBondContact O-N 3.36Å; W791-H795 VanDerWaalsContact O-N 3.15Å; W791-H795 PolarHBondContact O-ND1 3.19Å; A792-H795 CarbonylContact O-C 3.51Å; H795-H797 WeakPolarHBondContact CB-CD2 3.5Å; H795-H797 WeakPolarHBondContact CB-NE2 3.44Å; H795-H797 PolarHBondContact O-CD2 3.31Å; H795-H797 PolarHBondContact O-CE1 3.43Å; H795-H797 PolarHBondContact O-N 2.93Å; H795-H797 PolarHBondContact O-ND1 2.71Å; H795-H797 PolarHBondContact O-NE2 2.85Å
796	K	96.3	Very high	96.7	Very high	131 Å²	131	39.9 Å²	39.9	57%	0.57	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	19.1	173.8	-58.5	169.7	-175.9	166.7	0	115.7	A792 A793 E794 I798 T828 I833	A792-K796 PolarHBondContact O-N 3.02Å; A793-K796 PolarHBondContact O-N 3.44Å; E794-K796 PolarHBondContact O-N 3.05Å; K796-I798 PolarHBondContact O-N 3.37Å; K796-T828 WeakPolarHBondContact CE-O 3.5Å; K796-I833 HydrophobicContact CB-CD1 4.46Å
797	H	97.1	Very high	96.6	Very high	59 Å²	59	43.1 Å²	43.1	27%	0.273	20%	0.198	S	C	.	.			trans	-82.2	68.6	-173	-65.7	-49.8	0	0	0	114.1	A759 K760 G762 A792 H795 E799 V800 I801	A759-H797 PolarHBondContact O-CD2 2.76Å; A759-H797 VanDerWaalsContact O-CD2 3.29Å; K760-H797 PolarHBondContact O-CD2 2.85Å; K760-H797 PolarHBondContact O-NE2 3.49Å; K760-H797 VanDerWaalsContact O-NE2 3.1Å; G762-H797 WeakPolarHBondContact CA-CD2 3.16Å; G762-H797 WeakPolarHBondContact CA-NE2 3.02Å; G762-H797 PolarHBondContact N-CD2 3.14Å; G762-H797 PolarHBondContact N-NE2 2.86Å; A792-H797 HydrophobicContact CB-CB 4.32Å; A792-H797 PolarHBondContact O-N 2.94Å; H795-H797 WeakPolarHBondContact CB-CD2 3.5Å; H795-H797 WeakPolarHBondContact CB-NE2 3.44Å; H795-H797 PolarHBondContact O-CD2 3.31Å; H795-H797 PolarHBondContact O-CE1 3.43Å; H795-H797 PolarHBondContact O-N 2.93Å; H795-H797 PolarHBondContact O-ND1 2.71Å; H795-H797 PolarHBondContact O-NE2 2.85Å; H797-E799 VanDerWaalsContact C-N 3.34Å; H797-E799 PolarHBondContact O-N 3.26Å; H797-V800 HydrophobicContact CB-CB 4.08Å; H797-V800 HydrophobicContact CB-CG2 4.31Å; H797-V800 WeakPolarHBondContact O-CB 3.46Å; H797-V800 PolarHBondContact O-N 3.5Å; H797-I801 PolarHBondContact O-N 3.29Å; H797-I801 VanDerWaalsContact O-N 3.1Å
798	I	96.4	Very high	96.3	Very high	44 Å²	44	45.2 Å²	45.2	23%	0.226	22%	0.22	C	C	.	.	H	α-helix	trans	-51.7	-40.7	-173.2	-168.7	167.6	0	0	0	115.1	K796 V800 I801 R802 A832 I833 V836	K796-I798 PolarHBondContact O-N 3.37Å; I798-V800 PolarHBondContact O-N 3.25Å; I798-I801 WeakPolarHBondContact O-CB 3.5Å; I798-I801 PolarHBondContact O-N 3.46Å; I798-I801 VanDerWaalsContact O-N 3.16Å; I798-R802 WeakPolarHBondContact O-CG 3.16Å; I798-R802 PolarHBondContact O-N 3.34Å; I798-A832 HydrophobicContact CD1-CB 3.89Å; I798-I833 HydrophobicContact CB-CD1 4.41Å; I798-I833 HydrophobicContact CB-CG1 3.94Å; I798-I833 HydrophobicContact CD1-CG1 4.32Å; I798-I833 HydrophobicContact CG1-CG1 4.08Å; I798-V836 HydrophobicContact CD1-CG2 4.17Å; I798-V836 HydrophobicContact CG1-CG2 4.43Å
799	E	97.2	Very high	96.3	Very high	97 Å²	97	45.8 Å²	45.8	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-74.1	-27.9	-178.7	-64.3	-51.3	116.4	0	0	113.2	L764 H797 R802 M803	L764-E799 HydrophobicContact CD2-CB 4.31Å; H797-E799 VanDerWaalsContact C-N 3.34Å; H797-E799 PolarHBondContact O-N 3.26Å; E799-R802 VanDerWaalsContact OE1-CD 3.31Å; E799-R802 WeakPolarHBondContact OE1-CD 3.36Å; E799-R802 IonicContact OE1-CZ 2.67Å; E799-R802 IonicContact OE1-NE 3.42Å; E799-R802 PolarHBondContact OE1-NE 2.81Å; E799-R802 WeakPolarHBondContact OE2-CD 3.24Å; E799-R802 IonicContact OE2-NE 3.56Å; E799-M803 WeakPolarHBondContact O-CB 3.38Å; E799-M803 PolarHBondContact O-N 3.42Å
800	V	97.7	Very high	96.1	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-39.3	167.9	170.2	0	0	0	0	110.3	A759 G762 L764 V767 A792 H797 I798 M803 L804	A759-V800 HydrophobicContact CB-CG1 4.09Å; G762-V800 WeakPolarHBondContact O-CG2 3.49Å; L764-V800 HydrophobicContact CB-CG2 4.43Å; V767-V800 HydrophobicContact CG1-CG1 4.48Å; V767-V800 HydrophobicContact CG2-CG1 4.03Å; V767-V800 HydrophobicContact CG2-CG2 4.3Å; A792-V800 HydrophobicContact CB-CB 4.32Å; A792-V800 HydrophobicContact CB-CG1 3.82Å; H797-V800 HydrophobicContact CB-CB 4.08Å; H797-V800 HydrophobicContact CB-CG2 4.31Å; H797-V800 WeakPolarHBondContact O-CB 3.46Å; H797-V800 PolarHBondContact O-N 3.5Å; I798-V800 PolarHBondContact O-N 3.25Å; V800-M803 PolarHBondContact O-N 2.85Å; V800-L804 HydrophobicContact CG1-CD1 3.75Å; V800-L804 HydrophobicContact CG1-CG 4.22Å; V800-L804 WeakPolarHBondContact O-CB 3.47Å; V800-L804 VanDerWaalsContact O-CG 3.25Å; V800-L804 WeakPolarHBondContact O-CG 3.33Å; V800-L804 PolarHBondContact O-N 3.23Å
801	I	97.2	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.8	-63.5	171	0	0	0	110.7	I789 A792 A793 H797 I798 M803 L804 L805 I833 V836 L837	I789-I801 HydrophobicContact CD1-CG2 4.04Å; I789-I801 HydrophobicContact CG1-CG1 4.4Å; I789-I801 HydrophobicContact CG1-CG2 4.07Å; A792-I801 HydrophobicContact CB-CD1 4.34Å; A792-I801 HydrophobicContact CB-CG1 3.64Å; A793-I801 HydrophobicContact CB-CD1 3.93Å; H797-I801 PolarHBondContact O-N 3.29Å; H797-I801 VanDerWaalsContact O-N 3.1Å; I798-I801 WeakPolarHBondContact O-CB 3.5Å; I798-I801 PolarHBondContact O-N 3.46Å; I798-I801 VanDerWaalsContact O-N 3.16Å; I801-M803 PolarHBondContact O-N 2.94Å; I801-L804 PolarHBondContact O-N 3.26Å; I801-L805 HydrophobicContact CG2-CD1 3.93Å; I801-L805 HydrophobicContact CG2-CG 4.4Å; I801-L805 WeakPolarHBondContact O-CB 3.28Å; I801-L805 VanDerWaalsContact O-CG 3.29Å; I801-L805 WeakPolarHBondContact O-CG 3.48Å; I801-L805 PolarHBondContact O-N 2.84Å; I801-I833 HydrophobicContact CD1-CB 4.33Å; I801-I833 HydrophobicContact CD1-CD1 3.68Å; I801-I833 HydrophobicContact CD1-CG1 3.91Å; I801-I833 HydrophobicContact CD1-CG2 3.45Å; I801-I833 VanDerWaalsContact CD1-CG2 3.45Å; I801-V836 HydrophobicContact CG2-CG1 4.32Å; I801-L837 HydrophobicContact CG2-CD2 4.44Å
802	R	97.3	Very high	95.7	Very high	111 Å²	111	49.7 Å²	49.7	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-56.2	-48.7	173.3	-67.3	-173.6	-161	-83.3	-1.5	111.4	I798 E799 L804 L805 T806 V836	I798-R802 WeakPolarHBondContact O-CG 3.16Å; I798-R802 PolarHBondContact O-N 3.34Å; E799-R802 VanDerWaalsContact OE1-CD 3.31Å; E799-R802 WeakPolarHBondContact OE1-CD 3.36Å; E799-R802 IonicContact OE1-CZ 2.67Å; E799-R802 IonicContact OE1-NE 3.42Å; E799-R802 PolarHBondContact OE1-NE 2.81Å; E799-R802 WeakPolarHBondContact OE2-CD 3.24Å; E799-R802 IonicContact OE2-NE 3.56Å; R802-L804 PolarHBondContact O-N 3.16Å; R802-L805 PolarHBondContact O-N 2.87Å; R802-T806 WeakPolarHBondContact O-CG2 3.16Å; R802-T806 PolarHBondContact O-N 3.4Å; R802-V836 HydrophobicContact CG-CG1 4.48Å
803	M	96.5	Very high	95.6	Very high	43 Å²	43	52 Å²	52	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-58.1	-48.1	176.6	-179.9	60.1	60.7	0	0	111.8	L764 V767 L771 E799 V800 I801 L805 T806 R807	L764-M803 HydrophobicContact CD1-CB 3.68Å; L764-M803 HydrophobicContact CD1-CE 4.06Å; L764-M803 HydrophobicContact CD1-CG 4Å; V767-M803 HydrophobicContact CG1-CG 4.02Å; L771-M803 HydrophobicContact CD1-CG 4.3Å; E799-M803 WeakPolarHBondContact O-CB 3.38Å; E799-M803 PolarHBondContact O-N 3.42Å; V800-M803 PolarHBondContact O-N 2.85Å; I801-M803 PolarHBondContact O-N 2.94Å; M803-L805 PolarHBondContact O-N 2.87Å; M803-T806 PolarHBondContact O-N 3.28Å; M803-T806 PolarHBondContact O-OG1 2.83Å; M803-R807 WeakPolarHBondContact O-CG 3.34Å; M803-R807 PolarHBondContact O-N 3.24Å; M803-R807 HydrophobicContact SD-CG 4.4Å
804	L	97.2	Very high	95.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-42.2	178.9	-71.4	169.1	0	0	0	112.1	L755 A759 V767 L771 V778 P788 I789 A792 V800 I801 R802 R807 G808 A809	L755-L804 HydrophobicContact CD1-CD2 4.32Å; L755-L804 HydrophobicContact CD2-CD2 4.16Å; L755-L804 HydrophobicContact CG-CD2 4.45Å; A759-L804 HydrophobicContact CB-CD1 4.47Å; V767-L804 HydrophobicContact CG1-CD2 4.47Å; L771-L804 HydrophobicContact CD1-CD2 4.13Å; V778-L804 HydrophobicContact CG1-CD2 3.87Å; P788-L804 HydrophobicContact CB-CD1 4.14Å; P788-L804 HydrophobicContact CB-CD2 4.3Å; I789-L804 HydrophobicContact CB-CB 4.49Å; I789-L804 HydrophobicContact CB-CD1 4.02Å; A792-L804 HydrophobicContact CB-CD1 4.41Å; V800-L804 HydrophobicContact CG1-CD1 3.75Å; V800-L804 HydrophobicContact CG1-CG 4.22Å; V800-L804 WeakPolarHBondContact O-CB 3.47Å; V800-L804 VanDerWaalsContact O-CG 3.25Å; V800-L804 WeakPolarHBondContact O-CG 3.33Å; V800-L804 PolarHBondContact O-N 3.23Å; I801-L804 PolarHBondContact O-N 3.26Å; R802-L804 PolarHBondContact O-N 3.16Å; L804-R807 CarbonylContact O-C 3.57Å; L804-R807 PolarHBondContact O-N 3.03Å; L804-R807 VanDerWaalsContact O-N 3.14Å; L804-G808 PolarHBondContact O-N 3.38Å; L804-A809 HydrophobicContact CB-CB 4.04Å; L804-A809 WeakPolarHBondContact O-CB 3.42Å; L804-A809 PolarHBondContact O-N 3.04Å
805	L	96.3	Very high	95.7	Very high	38 Å²	38	52.6 Å²	52.6	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-46.8	175	-70.9	169.8	0	0	0	111.9	I789 I801 R802 M803 R807 G808 V811 V836 A840	I789-L805 HydrophobicContact CD1-CD2 3.64Å; I789-L805 HydrophobicContact CD1-CG 3.8Å; I801-L805 HydrophobicContact CG2-CD1 3.93Å; I801-L805 HydrophobicContact CG2-CG 4.4Å; I801-L805 WeakPolarHBondContact O-CB 3.28Å; I801-L805 VanDerWaalsContact O-CG 3.29Å; I801-L805 WeakPolarHBondContact O-CG 3.48Å; I801-L805 PolarHBondContact O-N 2.84Å; R802-L805 PolarHBondContact O-N 2.87Å; M803-L805 PolarHBondContact O-N 2.87Å; L805-R807 PolarHBondContact O-N 3.4Å; L805-R807 VanDerWaalsContact O-N 3.11Å; L805-G808 PolarHBondContact O-N 2.61Å; L805-V811 HydrophobicContact CD2-CG1 3.5Å; L805-V836 HydrophobicContact CD1-CG1 3.57Å; L805-A840 HydrophobicContact CD1-CB 4.33Å; L805-A840 HydrophobicContact CD2-CB 4.09Å
806	T	94.7	Very high	95.7	Very high	107 Å²	107	54.9 Å²	54.9	66%	0.656	29%	0.287	S	S	*	.	H	α-helix	trans	-62.8	-18.5	176	65.5	0	0	0	0	113.7	R802 M803	R802-T806 WeakPolarHBondContact O-CG2 3.16Å; R802-T806 PolarHBondContact O-N 3.4Å; M803-T806 PolarHBondContact O-N 3.28Å; M803-T806 PolarHBondContact O-OG1 2.83Å
807	R	94.4	Very high	95.7	Very high	105 Å²	105	53.4 Å²	53.4	40%	0.396	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	8	174.9	-57.9	-53.5	-175.4	84.5	12.6	113.9	L771 V778 M803 L804 L805	L771-R807 HydrophobicContact CD1-CB 4.39Å; L771-R807 HydrophobicContact CD1-CG 3.99Å; V778-R807 HydrophobicContact CG2-CB 4.22Å; M803-R807 WeakPolarHBondContact O-CG 3.34Å; M803-R807 PolarHBondContact O-N 3.24Å; M803-R807 HydrophobicContact SD-CG 4.4Å; L804-R807 CarbonylContact O-C 3.57Å; L804-R807 PolarHBondContact O-N 3.03Å; L804-R807 VanDerWaalsContact O-N 3.14Å; L805-R807 PolarHBondContact O-N 3.4Å; L805-R807 VanDerWaalsContact O-N 3.11Å
808	G	92.7	Very high	95.6	Very high	46 Å²	46	54.8 Å²	54.8	47%	0.474	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	32.5	173.3	0	0	0	0	0	115.1	N779 L804 L805 D810	N779-G808 PolarHBondContact ND2-O 2.91Å; L804-G808 PolarHBondContact O-N 3.38Å; L805-G808 PolarHBondContact O-N 2.61Å; G808-D810 PolarHBondContact O-N 2.79Å
809	A	95.7	Very high	95.7	Very high	12 Å²	12	53 Å²	53	10%	0.099	28%	0.279	C	S	.	.			trans	-59.5	129.3	162.8	0	0	0	0	0	110.6	V778 N779 I789 L804	V778-A809 HydrophobicContact CG1-CB 3.88Å; N779-A809 WeakPolarHBondContact OD1-CA 3.31Å; I789-A809 HydrophobicContact CB-CB 4.3Å; I789-A809 HydrophobicContact CD1-CB 3.82Å; I789-A809 HydrophobicContact CG2-CB 4.29Å; L804-A809 HydrophobicContact CB-CB 4.04Å; L804-A809 WeakPolarHBondContact O-CB 3.42Å; L804-A809 PolarHBondContact O-N 3.04Å
810	D	93.9	Very high	95.6	Very high	30 Å²	30	49 Å²	49	16%	0.16	26%	0.261	C	S	.	.			trans	-95.6	106.8	-179.3	-159.3	-39.4	0	0	0	110.9	R514 N779 G808 T812 L813	R514-D810 IonicContact CZ-OD2 2.8Å; R514-D810 IonicContact NH1-OD2 3.79Å; R514-D810 PolarHBondContact NH1-OD2 3.23Å; R514-D810 IonicContact NH2-OD1 3.84Å; R514-D810 IonicContact NH2-OD2 2.77Å; R514-D810 PolarHBondContact NH2-OD2 2.83Å; N779-D810 PolarHBondContact OD1-N 2.9Å; G808-D810 PolarHBondContact O-N 2.79Å; D810-T812 PolarHBondContact O-N 3.5Å; D810-T812 WeakPolarHBondContact OD1-CB 3.42Å; D810-T812 PolarHBondContact OD1-N 3.24Å; D810-T812 PolarHBondContact OD1-OG1 2.88Å; D810-L813 HydrophobicContact CB-CD1 4.25Å; D810-L813 HydrophobicContact CB-CG 4.28Å; D810-L813 PolarHBondContact O-N 3.05Å
811	V	93.4	Very high	95.5	Very high	9 Å²	9	49 Å²	49	6%	0.055	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-5.6	-179.4	-60.6	0	0	0	0	114.5	I789 L805 L837 A840 C842	I789-V811 HydrophobicContact CD1-CG1 4.45Å; L805-V811 HydrophobicContact CD2-CG1 3.5Å; V811-L837 HydrophobicContact CG1-CD2 3.79Å; V811-A840 HydrophobicContact CG1-CB 4.3Å; V811-C842 HydrophobicContact CB-CB 4.07Å; V811-C842 HydrophobicContact CG2-CB 3.79Å; V811-C842 PolarHBondContact O-SG 3.09Å
812	T	92.5	Very high	95.6	Very high	90 Å²	90	49 Å²	49	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.8	176.3	66.1	0	0	0	0	113.8	D810	D810-T812 PolarHBondContact O-N 3.5Å; D810-T812 WeakPolarHBondContact OD1-CB 3.42Å; D810-T812 PolarHBondContact OD1-N 3.24Å; D810-T812 PolarHBondContact OD1-OG1 2.88Å
813	L	95.2	Very high	95.6	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.257	24%	0.241	S	C	.	.			trans	-73.3	138.3	175.6	-66.4	171.3	0	0	0	111.4	N779 T787 D810	N779-L813 HydrophobicContact CB-CD1 3.71Å; T787-L813 HydrophobicContact CG2-CB 4.35Å; T787-L813 HydrophobicContact CG2-CD1 4.05Å; D810-L813 HydrophobicContact CB-CD1 4.25Å; D810-L813 HydrophobicContact CB-CG 4.28Å; D810-L813 PolarHBondContact O-N 3.05Å
814	T	95.9	Very high	95.6	Very high	56 Å²	56	43.3 Å²	43.3	34%	0.344	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-111.9	151.2	179.4	54.9	0	0	0	0	111.7	Q781 E818 N819 I820	Q781-T814 PolarHBondContact NE2-O 3.18Å; T814-E818 WeakPolarHBondContact CG2-O 3.37Å; T814-N819 WeakPolarHBondContact CA-O 3.39Å; T814-I820 HydrophobicContact CG2-CG2 3.64Å
815	D	96.3	Very high	95.5	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.237	C	C	.	.			trans	-74	-175	163.6	64.7	19.6	0	0	0	112.7	W786 E817 E818 N819 W824	W786-D815 VanDerWaalsContact CD1-CB 3.42Å; W786-D815 HydrophobicContact CG-CB 4.43Å; D815-E817 PolarHBondContact O-N 3.4Å; D815-E817 VanDerWaalsContact OD1-C 3.27Å; D815-E817 WeakPolarHBondContact OD1-CA 3.4Å; D815-E817 PolarHBondContact OD1-N 3.36Å; D815-E818 PolarHBondContact O-N 3.44Å; D815-E818 PolarHBondContact OD1-N 3.41Å; D815-N819 PolarHBondContact N-O 2.76Å; D815-N819 VanDerWaalsContact N-O 3.12Å; D815-N819 WeakPolarHBondContact OD1-CB 3.26Å; D815-N819 PolarHBondContact OD1-N 3.36Å; D815-N819 PolarHBondContact OD1-ND2 3.39Å; D815-N819 WeakPolarHBondContact OD2-CB 3.36Å; D815-N819 PolarHBondContact OD2-ND2 3.05Å; D815-W824 WeakPolarHBondContact OD2-CZ2 3.33Å; D815-W824 PolarHBondContact OD2-NE1 3.41Å
816	N	96.1	Very high	95.6	Very high	116 Å²	116	41.5 Å²	41.5	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.6	176.5	-71.8	-20.7	0	0	0	114.1	S783 G784	S783-N816 PolarHBondContact O-ND2 3.34Å; G784-N816 VanDerWaalsContact C-CG 3.45Å; G784-N816 WeakPolarHBondContact CA-ND2 3.45Å; G784-N816 WeakPolarHBondContact O-CB 3.44Å; G784-N816 PolarHBondContact O-N 3.29Å; G784-N816 PolarHBondContact O-ND2 2.99Å
817	E	95.9	Very high	95.6	Very high	100 Å²	100	40.2 Å²	40.2	47%	0.467	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	18.8	177.3	-64.5	-171.4	166.8	0	0	111.7	D815 N819 Y849	D815-E817 PolarHBondContact O-N 3.4Å; D815-E817 VanDerWaalsContact OD1-C 3.27Å; D815-E817 WeakPolarHBondContact OD1-CA 3.4Å; D815-E817 PolarHBondContact OD1-N 3.36Å; E817-N819 WeakPolarHBondContact CB-ND2 3.48Å; E817-N819 PolarHBondContact O-N 2.93Å; E817-N819 VanDerWaalsContact O-N 3.13Å; E817-Y849 WeakPolarHBondContact O-CB 3.42Å; E817-Y849 PolarHBondContact O-N 2.83Å
818	E	96	Very high	95.7	Very high	87 Å²	87	36 Å²	36	41%	0.407	20%	0.199	S	C	.	.			trans	62.4	11.9	-179.1	-45.6	180	139.4	0	0	113.3	T814 D815 I820 Y849 K882	T814-E818 WeakPolarHBondContact CG2-O 3.37Å; D815-E818 PolarHBondContact O-N 3.44Å; D815-E818 PolarHBondContact OD1-N 3.41Å; E818-I820 PolarHBondContact O-N 2.83Å; E818-Y849 HydrophobicContact CG-CD2 4.49Å; E818-Y849 VanDerWaalsContact OE2-CA 3.31Å; E818-Y849 WeakPolarHBondContact OE2-CA 3.24Å; E818-K882 IonicContact OE2-NZ 3.08Å; E818-K882 PolarHBondContact OE2-NZ 2.67Å
819	N	96.9	Very high	95.8	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.043	19%	0.186	C	C	.	.			trans	-77.8	115.8	177.9	-55	-65.7	0	0	0	111	T814 D815 E817 H823 N848	T814-N819 WeakPolarHBondContact CA-O 3.39Å; D815-N819 PolarHBondContact N-O 2.76Å; D815-N819 VanDerWaalsContact N-O 3.12Å; D815-N819 WeakPolarHBondContact OD1-CB 3.26Å; D815-N819 PolarHBondContact OD1-N 3.36Å; D815-N819 PolarHBondContact OD1-ND2 3.39Å; D815-N819 WeakPolarHBondContact OD2-CB 3.36Å; D815-N819 PolarHBondContact OD2-ND2 3.05Å; E817-N819 WeakPolarHBondContact CB-ND2 3.48Å; E817-N819 PolarHBondContact O-N 2.93Å; E817-N819 VanDerWaalsContact O-N 3.13Å; N819-H823 WeakPolarHBondContact CA-ND1 3.31Å; N819-H823 HydrophobicContact CB-CB 4Å; N819-N848 WeakPolarHBondContact OD1-CB 3.48Å; N819-N848 PolarHBondContact OD1-ND2 3.46Å
820	I	96.1	Very high	95.8	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.062	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-66.9	160.3	157.7	56	158.3	0	0	0	112	T814 E818 L822 H823 C842 A846	T814-I820 HydrophobicContact CG2-CG2 3.64Å; E818-I820 PolarHBondContact O-N 2.83Å; I820-L822 HydrophobicContact CD1-CB 3.8Å; I820-L822 HydrophobicContact CG1-CB 4.36Å; I820-L822 PolarHBondContact O-N 2.88Å; I820-H823 VanDerWaalsContact CG1-ND1 3.29Å; I820-H823 WeakPolarHBondContact CG1-ND1 3.22Å; I820-H823 PolarHBondContact N-ND1 2.77Å; I820-H823 VanDerWaalsContact N-ND1 3.2Å; I820-H823 WeakPolarHBondContact O-CB 3.39Å; I820-H823 PolarHBondContact O-N 3.32Å; I820-H823 PolarHBondContact O-ND1 3.13Å; I820-C842 VanDerWaalsContact CD1-SG 3.59Å; I820-A846 HydrophobicContact CD1-CB 3.4Å; I820-A846 VanDerWaalsContact CD1-CB 3.4Å; I820-A846 HydrophobicContact CG1-CB 3.82Å
821	C	96.3	Very high	95.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-51.8	-29.8	178.6	-169.7	0	0	0	0	114.9	I790 H823 W824 A825 L837	I790-C821 HydrophobicContact CG1-CB 4Å; C821-H823 VanDerWaalsContact C-N 3.32Å; C821-H823 PolarHBondContact O-N 2.86Å; C821-W824 PolarHBondContact O-N 3.48Å; C821-A825 PolarHBondContact O-N 3.09Å; C821-L837 HydrophobicContact CB-CD1 4.27Å; C821-L837 HydrophobicContact CB-CD2 4.38Å
822	L	97.3	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-26.5	177.3	-173.5	60.1	0	0	0	113.5	I820 S826 A834 L837 L838 P854 F870	I820-L822 HydrophobicContact CD1-CB 3.8Å; I820-L822 HydrophobicContact CG1-CB 4.36Å; I820-L822 PolarHBondContact O-N 2.88Å; L822-S826 WeakPolarHBondContact O-CB 3.23Å; L822-S826 PolarHBondContact O-N 2.89Å; L822-S826 PolarHBondContact O-OG 3.23Å; L822-A834 HydrophobicContact CD1-CB 3.83Å; L822-L837 HydrophobicContact CB-CD1 4.43Å; L822-L837 HydrophobicContact CD1-CB 4.19Å; L822-L837 HydrophobicContact CD1-CD1 4.32Å; L822-L838 HydrophobicContact CD1-CG 4.27Å; L822-L838 HydrophobicContact CD2-CD2 3.67Å; L822-L838 HydrophobicContact CD2-CG 4.06Å; L822-P854 HydrophobicContact CB-CG 4.27Å; L822-P854 HydrophobicContact CD2-CB 4.24Å; L822-P854 HydrophobicContact CD2-CG 3.85Å; L822-P854 HydrophobicContact CG-CB 3.99Å; L822-P854 HydrophobicContact CG-CG 3.79Å; L822-F870 HydrophobicContact CD1-CE1 4.06Å; L822-F870 HydrophobicContact CD1-CZ 4.22Å
823	H	97.6	Very high	96.3	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-44.6	170.4	-64.9	112.5	0	0	0	110.7	N819 I820 C821 A825 S826 F827 D852 P854 I857	N819-H823 WeakPolarHBondContact CA-ND1 3.31Å; N819-H823 HydrophobicContact CB-CB 4Å; I820-H823 VanDerWaalsContact CG1-ND1 3.29Å; I820-H823 WeakPolarHBondContact CG1-ND1 3.22Å; I820-H823 PolarHBondContact N-ND1 2.77Å; I820-H823 VanDerWaalsContact N-ND1 3.2Å; I820-H823 WeakPolarHBondContact O-CB 3.39Å; I820-H823 PolarHBondContact O-N 3.32Å; I820-H823 PolarHBondContact O-ND1 3.13Å; C821-H823 VanDerWaalsContact C-N 3.32Å; C821-H823 PolarHBondContact O-N 2.86Å; H823-A825 PolarHBondContact O-N 2.9Å; H823-S826 CarbonylContact O-C 3.58Å; H823-S826 WeakPolarHBondContact O-CA 3.49Å; H823-S826 VanDerWaalsContact O-CB 3.26Å; H823-S826 WeakPolarHBondContact O-CB 3.43Å; H823-S826 PolarHBondContact O-N 2.9Å; H823-F827 PolarHBondContact O-N 3.44Å; H823-D852 PolarHBondContact NE2-O 3.46Å; H823-P854 WeakPolarHBondContact NE2-CD 3.31Å; H823-I857 HydrophobicContact CB-CD1 3.65Å
824	W	96.5	Very high	96.4	Very high	33 Å²	33	30.6 Å²	30.6	13%	0.125	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-42	176.9	-71	103.7	0	0	0	112.2	W786 I790 D815 C821 S826 F827 T828	W786-W824 AromaticContact CE2-CZ2 3.86Å; W786-W824 HydrophobicContact CH2-CD2 4.45Å; W786-W824 HydrophobicContact CH2-CE3 4.18Å; W786-W824 AromaticContact CH2-CH2 3.66Å; W786-W824 HydrophobicContact CH2-CH2 3.66Å; W786-W824 AromaticContact CH2-CZ2 3.91Å; W786-W824 HydrophobicContact CH2-CZ2 3.91Å; W786-W824 AromaticContact CH2-CZ3 3.78Å; W786-W824 HydrophobicContact CH2-CZ3 3.78Å; W786-W824 HydrophobicContact CZ2-CD2 4.48Å; W786-W824 AromaticContact CZ2-CE2 3.85Å; W786-W824 HydrophobicContact CZ2-CE3 4.48Å; W786-W824 AromaticContact CZ2-CH2 3.32Å; W786-W824 HydrophobicContact CZ2-CH2 3.32Å; W786-W824 AromaticContact CZ2-CZ2 3.26Å; W786-W824 HydrophobicContact CZ2-CZ2 3.26Å; W786-W824 AromaticContact CZ2-CZ3 3.95Å; W786-W824 HydrophobicContact CZ2-CZ3 3.95Å; I790-W824 HydrophobicContact CG2-CB 4.44Å; I790-W824 HydrophobicContact CG2-CD2 4.26Å; I790-W824 HydrophobicContact CG2-CG 3.8Å; D815-W824 WeakPolarHBondContact OD2-CZ2 3.33Å; D815-W824 PolarHBondContact OD2-NE1 3.41Å; C821-W824 PolarHBondContact O-N 3.48Å; W824-S826 PolarHBondContact O-N 3.43Å; W824-F827 HydrophobicContact CE3-CD1 4.16Å; W824-F827 AromaticContact CZ3-CD1 3.98Å; W824-F827 HydrophobicContact CZ3-CD1 3.98Å; W824-F827 HydrophobicContact CZ3-CE1 4.36Å; W824-F827 PolarHBondContact O-N 2.88Å; W824-T828 WeakPolarHBondContact O-CG2 3.4Å; W824-T828 PolarHBondContact O-N 3.28Å; W824-T828 PolarHBondContact O-OG1 2.89Å
825	A	96.8	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.9	-23.1	171	0	0	0	0	0	114.1	C821 H823 S830 I833 A834 L837	C821-A825 PolarHBondContact O-N 3.09Å; H823-A825 PolarHBondContact O-N 2.9Å; A825-S830 PolarHBondContact O-N 3.39Å; A825-S830 VanDerWaalsContact O-N 3.15Å; A825-I833 HydrophobicContact CB-CB 4.28Å; A825-I833 HydrophobicContact CB-CG2 3.72Å; A825-A834 HydrophobicContact CB-CB 4.28Å; A825-L837 HydrophobicContact CB-CD1 3.76Å
826	S	96.6	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-81.2	-35.3	173.3	-54.2	0	0	0	0	112.1	L822 H823 W824 G829 P854 Y863 F870	L822-S826 WeakPolarHBondContact O-CB 3.23Å; L822-S826 PolarHBondContact O-N 2.89Å; L822-S826 PolarHBondContact O-OG 3.23Å; H823-S826 CarbonylContact O-C 3.58Å; H823-S826 WeakPolarHBondContact O-CA 3.49Å; H823-S826 VanDerWaalsContact O-CB 3.26Å; H823-S826 WeakPolarHBondContact O-CB 3.43Å; H823-S826 PolarHBondContact O-N 2.9Å; W824-S826 PolarHBondContact O-N 3.43Å; S826-G829 PolarHBondContact O-N 3.17Å; S826-P854 WeakPolarHBondContact OG-CB 3.45Å; S826-P854 PolarHBondContact OG-O 3.42Å; S826-Y863 VanDerWaalsContact O-CD2 3.24Å; S826-Y863 WeakPolarHBondContact O-CD2 3.31Å; S826-F870 VanDerWaalsContact OG-CE2 3.32Å; S826-F870 WeakPolarHBondContact OG-CE2 3.29Å; S826-F870 WeakPolarHBondContact OG-CZ 3.21Å
827	F	95.7	Very high	96.5	Very high	81 Å²	81	26.7 Å²	26.7	36%	0.355	15%	0.146	S	C	.	.	H	α-helix	trans	-71.4	-30.1	177.4	-176.4	-109	0	0	0	112.3	M187 H823 W824 G829 I857 E861 Y863	M187-F827 HydrophobicContact SD-CE2 3.84Å; M187-F827 HydrophobicContact SD-CZ 4.21Å; H823-F827 PolarHBondContact O-N 3.44Å; W824-F827 HydrophobicContact CE3-CD1 4.16Å; W824-F827 AromaticContact CZ3-CD1 3.98Å; W824-F827 HydrophobicContact CZ3-CD1 3.98Å; W824-F827 HydrophobicContact CZ3-CE1 4.36Å; W824-F827 PolarHBondContact O-N 2.88Å; F827-G829 VanDerWaalsContact C-N 3.34Å; F827-I857 HydrophobicContact CB-CG2 3.89Å; F827-I857 HydrophobicContact CD2-CG2 4.21Å; F827-E861 HydrophobicContact CD2-CG 4.19Å; F827-Y863 VanDerWaalsContact O-CE2 3.27Å; F827-Y863 WeakPolarHBondContact O-CE2 3.42Å
828	T	95.2	Very high	96.5	Very high	17 Å²	17	23 Å²	23	10%	0.104	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.1	174.8	60.2	0	0	0	0	114.3	A793 E794 K796 W824 S830	A793-T828 PolarHBondContact O-OG1 3.19Å; E794-T828 WeakPolarHBondContact O-CG2 3.29Å; K796-T828 WeakPolarHBondContact CE-O 3.5Å; W824-T828 WeakPolarHBondContact O-CG2 3.4Å; W824-T828 PolarHBondContact O-N 3.28Å; W824-T828 PolarHBondContact O-OG1 2.89Å; T828-S830 PolarHBondContact O-N 3.3Å; T828-S830 VanDerWaalsContact O-N 3.13Å
829	G	94.9	Very high	96.5	Very high	20 Å²	20	23.7 Å²	23.7	21%	0.206	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	8.4	-177.1	0	0	0	0	0	115.6	S826 F827 A831 C866	S826-G829 PolarHBondContact O-N 3.17Å; F827-G829 VanDerWaalsContact C-N 3.34Å; G829-A831 PolarHBondContact O-N 3.24Å; G829-C866 VanDerWaalsContact C-SG 3.52Å; G829-C866 PolarHBondContact O-SG 2.82Å; G829-C866 VanDerWaalsContact O-SG 3.41Å
830	S	96.4	Very high	96.3	Very high	26 Å²	26	25.1 Å²	25.1	18%	0.182	15%	0.149	C	C	.	.			trans	-81.6	82.9	-170.9	-167.4	0	0	0	0	112.5	A825 T828 A832 I833 A834	A825-S830 PolarHBondContact O-N 3.39Å; A825-S830 VanDerWaalsContact O-N 3.15Å; T828-S830 PolarHBondContact O-N 3.3Å; T828-S830 VanDerWaalsContact O-N 3.13Å; S830-A832 PolarHBondContact O-N 2.87Å; S830-I833 PolarHBondContact O-N 3.23Å; S830-I833 WeakPolarHBondContact OG-CD1 3.28Å; S830-I833 WeakPolarHBondContact OG-CG1 3.49Å; S830-A834 WeakPolarHBondContact O-CB 3.41Å; S830-A834 PolarHBondContact O-N 2.88Å
831	A	96.4	Very high	96	Very high	24 Å²	24	32.9 Å²	32.9	20%	0.198	18%	0.178	C	C	.	.	H	α-helix	trans	-54.5	-34.9	177.8	0	0	0	0	0	112.9	G829 A834 E835 D865 C866 L869	G829-A831 PolarHBondContact O-N 3.24Å; A831-A834 PolarHBondContact O-N 3.36Å; A831-E835 WeakPolarHBondContact O-CB 3.31Å; A831-E835 PolarHBondContact O-N 3.2Å; A831-D865 HydrophobicContact CB-CB 3.87Å; A831-C866 PolarHBondContact N-SG 3.45Å; A831-C866 VanDerWaalsContact N-SG 3.45Å; A831-L869 WeakPolarHBondContact O-CD2 3.35Å
832	A	97.2	Very high	95.8	Very high	52 Å²	52	33.2 Å²	33.2	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-66.5	-39.1	176.3	0	0	0	0	0	113	I798 S830 V836	I798-A832 HydrophobicContact CD1-CB 3.89Å; S830-A832 PolarHBondContact O-N 2.87Å; A832-V836 WeakPolarHBondContact O-CG2 3.48Å; A832-V836 PolarHBondContact O-N 2.93Å; A832-V836 VanDerWaalsContact O-N 3.15Å
833	I	97.3	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-42.3	174.4	-66.9	172.8	0	0	0	110.1	A793 K796 I798 I801 A825 S830 E835 V836 L837	A793-I833 HydrophobicContact CB-CG2 4.25Å; K796-I833 HydrophobicContact CB-CD1 4.46Å; I798-I833 HydrophobicContact CB-CD1 4.41Å; I798-I833 HydrophobicContact CB-CG1 3.94Å; I798-I833 HydrophobicContact CD1-CG1 4.32Å; I798-I833 HydrophobicContact CG1-CG1 4.08Å; I801-I833 HydrophobicContact CD1-CB 4.33Å; I801-I833 HydrophobicContact CD1-CD1 3.68Å; I801-I833 HydrophobicContact CD1-CG1 3.91Å; I801-I833 HydrophobicContact CD1-CG2 3.45Å; I801-I833 VanDerWaalsContact CD1-CG2 3.45Å; A825-I833 HydrophobicContact CB-CB 4.28Å; A825-I833 HydrophobicContact CB-CG2 3.72Å; S830-I833 PolarHBondContact O-N 3.23Å; S830-I833 WeakPolarHBondContact OG-CD1 3.28Å; S830-I833 WeakPolarHBondContact OG-CG1 3.49Å; I833-E835 VanDerWaalsContact C-N 3.27Å; I833-E835 PolarHBondContact O-N 3.19Å; I833-V836 PolarHBondContact O-N 3.12Å; I833-V836 VanDerWaalsContact O-N 3.14Å; I833-L837 HydrophobicContact CG2-CD1 3.94Å; I833-L837 HydrophobicContact CG2-CG 4.3Å; I833-L837 WeakPolarHBondContact O-CG 3.47Å; I833-L837 PolarHBondContact O-N 2.85Å
834	A	97.3	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-39.6	176.1	0	0	0	0	0	111.8	L822 A825 S830 A831 L838 L869 F870	L822-A834 HydrophobicContact CD1-CB 3.83Å; A825-A834 HydrophobicContact CB-CB 4.28Å; S830-A834 WeakPolarHBondContact O-CB 3.41Å; S830-A834 PolarHBondContact O-N 2.88Å; A831-A834 PolarHBondContact O-N 3.36Å; A834-L838 WeakPolarHBondContact O-CB 3.44Å; A834-L838 VanDerWaalsContact O-CG 3.25Å; A834-L838 WeakPolarHBondContact O-CG 3.33Å; A834-L838 PolarHBondContact O-N 3.33Å; A834-L869 HydrophobicContact CB-CD2 3.94Å; A834-F870 HydrophobicContact CB-CE1 3.92Å; A834-F870 HydrophobicContact CB-CZ 4.03Å
835	E	97.2	Very high	95.4	Very high	78 Å²	78	40.7 Å²	40.7	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-64.2	-47.7	172.1	171.7	159.4	-130.8	0	0	112.3	A831 I833 L837 L838 N839 L869 R873	A831-E835 WeakPolarHBondContact O-CB 3.31Å; A831-E835 PolarHBondContact O-N 3.2Å; I833-E835 VanDerWaalsContact C-N 3.27Å; I833-E835 PolarHBondContact O-N 3.19Å; E835-L837 VanDerWaalsContact C-N 3.26Å; E835-L837 PolarHBondContact O-N 3.34Å; E835-L838 PolarHBondContact O-N 2.96Å; E835-N839 WeakPolarHBondContact CG-ND2 3.34Å; E835-N839 WeakPolarHBondContact O-CB 3.31Å; E835-N839 PolarHBondContact O-N 3.2Å; E835-N839 PolarHBondContact O-OD1 3.43Å; E835-L869 HydrophobicContact CB-CD1 4.42Å; E835-L869 HydrophobicContact CB-CD2 3.99Å; E835-R873 IonicContact OE1-CZ 2.83Å; E835-R873 IonicContact OE1-NH1 3.11Å; E835-R873 IonicContact OE1-NH2 3.1Å; E835-R873 PolarHBondContact OE1-NH2 3.21Å
836	V	96.8	Very high	95.4	Very high	18 Å²	18	41.4 Å²	41.4	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-40.1	177.8	167.4	0	0	0	0	111.4	I798 I801 R802 L805 A832 I833 A840	I798-V836 HydrophobicContact CD1-CG2 4.17Å; I798-V836 HydrophobicContact CG1-CG2 4.43Å; I801-V836 HydrophobicContact CG2-CG1 4.32Å; R802-V836 HydrophobicContact CG-CG1 4.48Å; L805-V836 HydrophobicContact CD1-CG1 3.57Å; A832-V836 WeakPolarHBondContact O-CG2 3.48Å; A832-V836 PolarHBondContact O-N 2.93Å; A832-V836 VanDerWaalsContact O-N 3.15Å; I833-V836 PolarHBondContact O-N 3.12Å; I833-V836 VanDerWaalsContact O-N 3.14Å; V836-A840 PolarHBondContact O-N 3.49Å; V836-A840 VanDerWaalsContact O-N 3.09Å
837	L	96.6	Very high	95.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-69	-42.9	176.2	-67.5	171.7	0	0	0	112.5	I789 I801 V811 C821 L822 A825 I833 E835 N839 A840 C842	I789-L837 HydrophobicContact CD1-CD2 4.26Å; I801-L837 HydrophobicContact CG2-CD2 4.44Å; V811-L837 HydrophobicContact CG1-CD2 3.79Å; C821-L837 HydrophobicContact CB-CD1 4.27Å; C821-L837 HydrophobicContact CB-CD2 4.38Å; L822-L837 HydrophobicContact CB-CD1 4.43Å; L822-L837 HydrophobicContact CD1-CB 4.19Å; L822-L837 HydrophobicContact CD1-CD1 4.32Å; A825-L837 HydrophobicContact CB-CD1 3.76Å; I833-L837 HydrophobicContact CG2-CD1 3.94Å; I833-L837 HydrophobicContact CG2-CG 4.3Å; I833-L837 WeakPolarHBondContact O-CG 3.47Å; I833-L837 PolarHBondContact O-N 2.85Å; E835-L837 VanDerWaalsContact C-N 3.26Å; E835-L837 PolarHBondContact O-N 3.34Å; L837-N839 VanDerWaalsContact C-N 3.34Å; L837-N839 PolarHBondContact O-N 2.96Å; L837-A840 CarbonylContact O-C 3.58Å; L837-A840 WeakPolarHBondContact O-CA 3.48Å; L837-A840 WeakPolarHBondContact O-CB 3.44Å; L837-A840 PolarHBondContact O-N 3.19Å; L837-A840 VanDerWaalsContact O-N 3.13Å; L837-C842 HydrophobicContact CB-CB 4.24Å; L837-C842 WeakPolarHBondContact O-CB 3.38Å; L837-C842 PolarHBondContact O-N 3.22Å; L837-C842 VanDerWaalsContact O-N 3.13Å
838	L	96.1	Very high	95.4	Very high	23 Å²	23	41.6 Å²	41.6	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-39.3	175.9	-75.1	168.2	0	0	0	112	L822 A834 E835 A840 R841 L844 L869 F870 R873	L822-L838 HydrophobicContact CD1-CG 4.27Å; L822-L838 HydrophobicContact CD2-CD2 3.67Å; L822-L838 HydrophobicContact CD2-CG 4.06Å; A834-L838 WeakPolarHBondContact O-CB 3.44Å; A834-L838 VanDerWaalsContact O-CG 3.25Å; A834-L838 WeakPolarHBondContact O-CG 3.33Å; A834-L838 PolarHBondContact O-N 3.33Å; E835-L838 PolarHBondContact O-N 2.96Å; L838-A840 PolarHBondContact O-N 3.06Å; L838-R841 WeakPolarHBondContact O-CA 3.49Å; L838-R841 PolarHBondContact O-N 3.48Å; L838-L844 HydrophobicContact CD1-CD1 4.45Å; L838-L844 HydrophobicContact CD2-CB 3.87Å; L838-L844 HydrophobicContact CD2-CD1 4.12Å; L838-L844 HydrophobicContact CD2-CG 4.42Å; L838-L869 HydrophobicContact CD1-CD2 4.27Å; L838-L869 HydrophobicContact CD1-CG 4.25Å; L838-F870 HydrophobicContact CD1-CD1 3.93Å; L838-F870 HydrophobicContact CD1-CE1 3.92Å; L838-R873 HydrophobicContact CD1-CG 4.23Å
839	N	95	Very high	95.4	Very high	102 Å²	102	47.8 Å²	47.8	55%	0.545	26%	0.255	S	S	.	.	H	α-helix	trans	-66.6	-27.2	174.9	-65.2	-6.2	0	0	0	111.5	E835 L837 R841 R873	E835-N839 WeakPolarHBondContact CG-ND2 3.34Å; E835-N839 WeakPolarHBondContact O-CB 3.31Å; E835-N839 PolarHBondContact O-N 3.2Å; E835-N839 PolarHBondContact O-OD1 3.43Å; L837-N839 VanDerWaalsContact C-N 3.34Å; L837-N839 PolarHBondContact O-N 2.96Å; N839-R841 PolarHBondContact O-N 3.13Å; N839-R873 PolarHBondContact OD1-NH1 3.14Å
840	A	93	Very high	95.4	Very high	38 Å²	38	50.9 Å²	50.9	31%	0.314	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	15.1	168.5	0	0	0	0	0	114.4	L805 V811 V836 L837 L838 C842	L805-A840 HydrophobicContact CD1-CB 4.33Å; L805-A840 HydrophobicContact CD2-CB 4.09Å; V811-A840 HydrophobicContact CG1-CB 4.3Å; V836-A840 PolarHBondContact O-N 3.49Å; V836-A840 VanDerWaalsContact O-N 3.09Å; L837-A840 CarbonylContact O-C 3.58Å; L837-A840 WeakPolarHBondContact O-CA 3.48Å; L837-A840 WeakPolarHBondContact O-CB 3.44Å; L837-A840 PolarHBondContact O-N 3.19Å; L837-A840 VanDerWaalsContact O-N 3.13Å; L838-A840 PolarHBondContact O-N 3.06Å; A840-C842 PolarHBondContact O-N 2.98Å
841	R	90.5	Very high	95.4	Very high	174 Å²	174	49.9 Å²	49.9	66%	0.657	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	34	-177.1	-52	-172.8	-172.5	166	5.7	114.4	D512 L838 N839	D512-R841 IonicContact OD1-CZ 3.66Å; D512-R841 VanDerWaalsContact OD1-CZ 3.32Å; D512-R841 IonicContact OD1-NH1 2.67Å; D512-R841 PolarHBondContact OD1-NH1 2.96Å; D512-R841 IonicContact OD1-NH2 3.8Å; D512-R841 PolarHBondContact OD1-NH2 3.01Å; D512-R841 IonicContact OD2-NH1 3.03Å; L838-R841 WeakPolarHBondContact O-CA 3.49Å; L838-R841 PolarHBondContact O-N 3.48Å; N839-R841 PolarHBondContact O-N 3.13Å
842	C	91.8	Very high	95.4	Very high	9 Å²	9	49 Å²	49	6%	0.061	25%	0.25	C	S	.	.			trans	-69.5	147.9	170.2	-161.8	0	0	0	0	111.4	V811 I820 L837 A840 L844	V811-C842 HydrophobicContact CB-CB 4.07Å; V811-C842 HydrophobicContact CG2-CB 3.79Å; V811-C842 PolarHBondContact O-SG 3.09Å; I820-C842 VanDerWaalsContact CD1-SG 3.59Å; L837-C842 HydrophobicContact CB-CB 4.24Å; L837-C842 WeakPolarHBondContact O-CB 3.38Å; L837-C842 PolarHBondContact O-N 3.22Å; L837-C842 VanDerWaalsContact O-N 3.13Å; A840-C842 PolarHBondContact O-N 2.98Å; C842-L844 PolarHBondContact O-N 3.13Å
843	D	93	Very high	95.4	Very high	90 Å²	90	46.6 Å²	46.6	48%	0.481	23%	0.231	S	C	.	.			trans	-83.8	111.6	-172.8	-174.9	6.7	0	0	0	112.7	H845 A846	D843-H845 PolarHBondContact O-N 3.09Å; D843-H845 WeakPolarHBondContact OD1-CA 3.4Å; D843-H845 PolarHBondContact OD1-N 3.38Å; D843-A846 HydrophobicContact CB-CB 4.23Å; D843-A846 WeakPolarHBondContact O-CB 3.45Å; D843-A846 PolarHBondContact O-N 3.49Å
844	L	95.2	Very high	95.4	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.073	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14	175.7	-174.4	56.6	0	0	0	114	L838 C842 F870 R873 A875	L838-L844 HydrophobicContact CD1-CD1 4.45Å; L838-L844 HydrophobicContact CD2-CB 3.87Å; L838-L844 HydrophobicContact CD2-CD1 4.12Å; L838-L844 HydrophobicContact CD2-CG 4.42Å; C842-L844 PolarHBondContact O-N 3.13Å; L844-F870 HydrophobicContact CD1-CB 3.91Å; L844-F870 HydrophobicContact CD1-CD1 3.46Å; L844-F870 VanDerWaalsContact CD1-CD1 3.46Å; L844-F870 HydrophobicContact CD1-CE1 4.16Å; L844-F870 HydrophobicContact CD1-CG 3.76Å; L844-R873 HydrophobicContact CD2-CB 3.64Å; L844-R873 WeakPolarHBondContact CD2-O 3.23Å; L844-A875 HydrophobicContact CD1-CB 4.12Å; L844-A875 HydrophobicContact CD2-CB 3.93Å; L844-A875 HydrophobicContact CG-CB 3.95Å
845	H	95.2	Very high	95.4	Very high	88 Å²	88	46.7 Å²	46.7	41%	0.407	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	8.4	179.6	-59.8	-39.2	0	0	0	113.5	D843	D843-H845 PolarHBondContact O-N 3.09Å; D843-H845 WeakPolarHBondContact OD1-CA 3.4Å; D843-H845 PolarHBondContact OD1-N 3.38Å
846	A	95.4	Very high	95.4	Very high	16 Å²	16	43 Å²	43	13%	0.132	21%	0.214	C	C	.	.			trans	-55	151.5	167.7	0	0	0	0	0	110.7	I820 D843 T853 P854	I820-A846 HydrophobicContact CD1-CB 3.4Å; I820-A846 VanDerWaalsContact CD1-CB 3.4Å; I820-A846 HydrophobicContact CG1-CB 3.82Å; D843-A846 HydrophobicContact CB-CB 4.23Å; D843-A846 WeakPolarHBondContact O-CB 3.45Å; D843-A846 PolarHBondContact O-N 3.49Å; A846-T853 WeakPolarHBondContact O-CA 3.5Å; A846-T853 WeakPolarHBondContact O-CB 3.47Å; A846-T853 WeakPolarHBondContact O-CG2 3.4Å; A846-P854 WeakPolarHBondContact O-CD 3.29Å
847	V	96	Very high	95.4	Very high	78 Å²	78	42.5 Å²	42.5	47%	0.473	21%	0.21	S	C	.	.			trans	-130.1	141.3	178.6	-74.3	0	0	0	0	110.4	G851 D852 T853	V847-G851 WeakPolarHBondContact CG1-O 3.42Å; V847-D852 WeakPolarHBondContact CA-O 3.35Å; V847-T853 HydrophobicContact CG1-CG2 3.62Å
848	N	96.4	Very high	95.4	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	21%	0.21	C	C	.	.			trans	-90.3	-169.4	176.3	75.8	0.6	0	0	0	113.1	N819 H850 G851 D852 K882	N819-N848 WeakPolarHBondContact OD1-CB 3.48Å; N819-N848 PolarHBondContact OD1-ND2 3.46Å; N848-H850 PolarHBondContact O-N 2.93Å; N848-H850 VanDerWaalsContact O-N 3.16Å; N848-H850 WeakPolarHBondContact OD1-CA 3.48Å; N848-H850 WeakPolarHBondContact OD1-CB 3.31Å; N848-H850 PolarHBondContact OD1-N 2.85Å; N848-G851 WeakPolarHBondContact O-CA 3.46Å; N848-G851 PolarHBondContact O-N 2.84Å; N848-G851 PolarHBondContact OD1-N 2.76Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; N848-D852 PolarHBondContact N-O 3.48Å; N848-D852 PolarHBondContact OD1-N 3.03Å; N848-D852 PolarHBondContact OD1-O 2.81Å; N848-K882 PolarHBondContact O-NZ 3.3Å
849	Y	95.8	Very high	95.4	Very high	146 Å²	146	41.4 Å²	41.4	57%	0.573	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.1	-179.5	-172.9	-98	0	0	0	113.5	E817 E818 K882	E817-Y849 WeakPolarHBondContact O-CB 3.42Å; E817-Y849 PolarHBondContact O-N 2.83Å; E818-Y849 HydrophobicContact CG-CD2 4.49Å; E818-Y849 VanDerWaalsContact OE2-CA 3.31Å; E818-Y849 WeakPolarHBondContact OE2-CA 3.24Å; Y849-K882 VanDerWaalsContact O-CD 3.23Å; Y849-K882 WeakPolarHBondContact O-CD 3.37Å; Y849-K882 WeakPolarHBondContact O-CE 3.24Å; Y849-K882 PolarHBondContact O-NZ 3.26Å
850	H	95.4	Very high	95.4	Very high	85 Å²	85	40 Å²	40	39%	0.394	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9	172.2	-63	-92.9	0	0	0	112.9	N848 K882	N848-H850 PolarHBondContact O-N 2.93Å; N848-H850 VanDerWaalsContact O-N 3.16Å; N848-H850 WeakPolarHBondContact OD1-CA 3.48Å; N848-H850 WeakPolarHBondContact OD1-CB 3.31Å; N848-H850 PolarHBondContact OD1-N 2.85Å; H850-K882 WeakPolarHBondContact O-CB 3.28Å; H850-K882 WeakPolarHBondContact O-CG 3.33Å; H850-K882 PolarHBondContact O-N 3.43Å
851	G	95.5	Very high	95.5	Very high	6 Å²	6	40.8 Å²	40.8	6%	0.062	19%	0.189	C	C	.	.			trans	79.2	4.4	-171.4	0	0	0	0	0	113.5	V847 N848 N881	V847-G851 WeakPolarHBondContact CG1-O 3.42Å; N848-G851 WeakPolarHBondContact O-CA 3.46Å; N848-G851 PolarHBondContact O-N 2.84Å; N848-G851 PolarHBondContact OD1-N 2.76Å; N848-G851 VanDerWaalsContact OD1-N 3.14Å; G851-N881 WeakPolarHBondContact O-CA 3.46Å; G851-N881 WeakPolarHBondContact O-CB 3.33Å
852	D	97.3	Very high	95.6	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	17%	0.171	C	C	.	.			trans	-67.3	137.7	173.3	-71.4	-20	0	0	0	108.5	H823 V847 N848 H856 I857 R860 N881	H823-D852 PolarHBondContact NE2-O 3.46Å; V847-D852 WeakPolarHBondContact CA-O 3.35Å; N848-D852 PolarHBondContact N-O 3.48Å; N848-D852 PolarHBondContact OD1-N 3.03Å; N848-D852 PolarHBondContact OD1-O 2.81Å; D852-H856 HydrophobicContact CB-CB 3.77Å; D852-I857 HydrophobicContact CB-CG1 4.15Å; D852-R860 IonicContact OD2-CZ 2.78Å; D852-R860 IonicContact OD2-NH1 2.88Å; D852-R860 PolarHBondContact OD2-NH1 3.42Å; D852-N881 VanDerWaalsContact OD1-CB 3.29Å; D852-N881 WeakPolarHBondContact OD1-CB 3.22Å; D852-N881 PolarHBondContact OD1-ND2 2.75Å
853	T	97.3	Very high	95.8	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	19%	0.185	C	C	.	.			trans	-93.8	170.9	166.7	69.6	0	0	0	0	109.8	A846 V847 L855 H856 I857 L879	A846-T853 WeakPolarHBondContact O-CA 3.5Å; A846-T853 WeakPolarHBondContact O-CB 3.47Å; A846-T853 WeakPolarHBondContact O-CG2 3.4Å; V847-T853 HydrophobicContact CG1-CG2 3.62Å; T853-L855 PolarHBondContact O-N 3.41Å; T853-L855 VanDerWaalsContact O-N 3.09Å; T853-L855 PolarHBondContact OG1-N 3.04Å; T853-H856 PolarHBondContact N-ND1 2.91Å; T853-H856 WeakPolarHBondContact O-CB 3.43Å; T853-H856 PolarHBondContact O-N 3.03Å; T853-H856 PolarHBondContact OG1-ND1 3.25Å; T853-I857 PolarHBondContact O-N 2.86Å; T853-L879 HydrophobicContact CG2-CD1 4.11Å
854	P	97.3	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-49.8	-36.8	171.2	-31.8	39.7	0	0	0	113.6	L822 H823 S826 A846 I857 A858 F870	L822-P854 HydrophobicContact CB-CG 4.27Å; L822-P854 HydrophobicContact CD2-CB 4.24Å; L822-P854 HydrophobicContact CD2-CG 3.85Å; L822-P854 HydrophobicContact CG-CB 3.99Å; L822-P854 HydrophobicContact CG-CG 3.79Å; H823-P854 WeakPolarHBondContact NE2-CD 3.31Å; S826-P854 WeakPolarHBondContact OG-CB 3.45Å; S826-P854 PolarHBondContact OG-O 3.42Å; A846-P854 WeakPolarHBondContact O-CD 3.29Å; P854-I857 PolarHBondContact O-N 3.48Å; P854-A858 WeakPolarHBondContact O-CB 3.43Å; P854-A858 PolarHBondContact O-N 2.97Å; P854-F870 HydrophobicContact CB-CD2 4.41Å; P854-F870 HydrophobicContact CB-CE2 3.84Å; P854-F870 HydrophobicContact CB-CZ 3.94Å; P854-F870 WeakPolarHBondContact O-CE2 3.16Å
855	L	97.4	Very high	96	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-33.8	175.1	-173.4	71	0	0	0	113.4	T853 A859 V867 F870 L871 A875 P877 A887 L901	T853-L855 PolarHBondContact O-N 3.41Å; T853-L855 VanDerWaalsContact O-N 3.09Å; T853-L855 PolarHBondContact OG1-N 3.04Å; L855-A859 WeakPolarHBondContact O-CB 3.08Å; L855-A859 PolarHBondContact O-N 3.14Å; L855-V867 HydrophobicContact CD1-CB 4.43Å; L855-V867 HydrophobicContact CD1-CG1 4.02Å; L855-V867 HydrophobicContact CD1-CG2 4.25Å; L855-F870 HydrophobicContact CB-CD2 4.42Å; L855-F870 HydrophobicContact CD1-CB 3.86Å; L855-F870 HydrophobicContact CD1-CD2 4.28Å; L855-L871 HydrophobicContact CD1-CD2 4.31Å; L855-L871 HydrophobicContact CD1-CG 4.29Å; L855-L871 HydrophobicContact CD2-CD2 4.26Å; L855-A875 HydrophobicContact CB-CB 4.32Å; L855-A875 HydrophobicContact CD1-CB 4.34Å; L855-A875 HydrophobicContact CD2-CB 3.92Å; L855-A875 HydrophobicContact CG-CB 4.43Å; L855-P877 HydrophobicContact CD2-CB 4.3Å; L855-A887 HydrophobicContact CD2-CB 4.09Å; L855-A887 HydrophobicContact CG-CB 3.88Å; L855-L901 HydrophobicContact CD1-CD2 4.26Å; L855-L901 HydrophobicContact CD2-CD2 4.3Å; L855-L901 HydrophobicContact CG-CD2 4.46Å
856	H	97.2	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-69	-42.9	177.2	-71.6	74.8	0	0	0	111	D852 T853 A859 R860 L879 D885 A887 L890	D852-H856 HydrophobicContact CB-CB 3.77Å; T853-H856 PolarHBondContact N-ND1 2.91Å; T853-H856 WeakPolarHBondContact O-CB 3.43Å; T853-H856 PolarHBondContact O-N 3.03Å; T853-H856 PolarHBondContact OG1-ND1 3.25Å; H856-A859 PolarHBondContact O-N 3.08Å; H856-R860 WeakPolarHBondContact O-CB 3.34Å; H856-R860 PolarHBondContact O-N 3.23Å; H856-L879 PolarHBondContact CE1-O 3.14Å; H856-L879 PolarHBondContact NE2-O 2.67Å; H856-D885 PolarHBondContact NE2-O 3.42Å; H856-A887 PolarHBondContact CD2-N 3.24Å; H856-A887 VanDerWaalsContact CD2-N 3.34Å; H856-A887 PolarHBondContact NE2-N 3.14Å; H856-L890 HydrophobicContact CB-CD1 3.92Å
857	I	96.7	Very high	96.1	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.036	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-55.5	178.4	-60.1	179.8	0	0	0	110.1	H823 F827 D852 T853 P854 A859 R860 E861	H823-I857 HydrophobicContact CB-CD1 3.65Å; F827-I857 HydrophobicContact CB-CG2 3.89Å; F827-I857 HydrophobicContact CD2-CG2 4.21Å; D852-I857 HydrophobicContact CB-CG1 4.15Å; T853-I857 PolarHBondContact O-N 2.86Å; P854-I857 PolarHBondContact O-N 3.48Å; I857-A859 PolarHBondContact O-N 3.09Å; I857-A859 VanDerWaalsContact O-N 3.14Å; I857-R860 PolarHBondContact O-N 3.41Å; I857-R860 VanDerWaalsContact O-N 3.09Å; I857-E861 HydrophobicContact CG2-CG 4.27Å; I857-E861 WeakPolarHBondContact O-CG 3.08Å; I857-E861 PolarHBondContact O-N 2.94Å
858	A	96.8	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-25.1	179.2	0	0	0	0	0	113.5	P854 S862 Y863 C866 V867 F870	P854-A858 WeakPolarHBondContact O-CB 3.43Å; P854-A858 PolarHBondContact O-N 2.97Å; A858-S862 CarbonylContact O-C 3.58Å; A858-S862 PolarHBondContact O-N 3.04Å; A858-Y863 PolarHBondContact O-N 3.08Å; A858-C866 HydrophobicContact CB-CB 3.65Å; A858-V867 HydrophobicContact CB-CG2 3.78Å; A858-F870 HydrophobicContact CB-CD2 4.2Å; A858-F870 HydrophobicContact CB-CE2 3.81Å
859	A	95.9	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-78.1	-39.2	173.9	0	0	0	0	0	113.3	L855 H856 I857 S862 V867 A887 T891 V897 L901	L855-A859 WeakPolarHBondContact O-CB 3.08Å; L855-A859 PolarHBondContact O-N 3.14Å; H856-A859 PolarHBondContact O-N 3.08Å; I857-A859 PolarHBondContact O-N 3.09Å; I857-A859 VanDerWaalsContact O-N 3.14Å; A859-S862 PolarHBondContact O-N 3.49Å; A859-V867 HydrophobicContact CB-CG2 4.34Å; A859-A887 HydrophobicContact CB-CB 3.9Å; A859-A887 VanDerWaalsContact CB-O 3.28Å; A859-A887 WeakPolarHBondContact CB-O 3.26Å; A859-T891 HydrophobicContact CB-CG2 4.15Å; A859-T891 WeakPolarHBondContact O-CG2 3.4Å; A859-V897 HydrophobicContact CB-CG1 4.5Å; A859-L901 HydrophobicContact CB-CD1 3.88Å
860	R	94.9	Very high	96.3	Very high	73 Å²	73	30.4 Å²	30.4	28%	0.275	15%	0.148	S	C	.	.	H	α-helix	trans	-64.9	-51.6	175.8	-175.1	175.5	64.6	-136.2	-6.9	110.9	D852 H856 I857 S862 L890	D852-R860 IonicContact OD2-CZ 2.78Å; D852-R860 IonicContact OD2-NH1 2.88Å; D852-R860 PolarHBondContact OD2-NH1 3.42Å; H856-R860 WeakPolarHBondContact O-CB 3.34Å; H856-R860 PolarHBondContact O-N 3.23Å; I857-R860 PolarHBondContact O-N 3.41Å; I857-R860 VanDerWaalsContact O-N 3.09Å; R860-S862 PolarHBondContact O-N 3.35Å; R860-S862 VanDerWaalsContact O-N 3.17Å; R860-L890 HydrophobicContact CB-CB 4.3Å
861	E	94.2	Very high	96.2	Very high	55 Å²	55	27 Å²	27	26%	0.257	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	4.2	178.5	-38.5	-34.8	155	0	0	112.6	F827 I857 Y863	F827-E861 HydrophobicContact CD2-CG 4.19Å; I857-E861 HydrophobicContact CG2-CG 4.27Å; I857-E861 WeakPolarHBondContact O-CG 3.08Å; I857-E861 PolarHBondContact O-N 2.94Å; E861-Y863 VanDerWaalsContact C-N 3.31Å; E861-Y863 HydrophobicContact CB-CD2 3.65Å; E861-Y863 HydrophobicContact CB-CE2 3.37Å; E861-Y863 HydrophobicContact CG-CD2 4.48Å; E861-Y863 HydrophobicContact CG-CE2 4.04Å; E861-Y863 PolarHBondContact O-N 3.06Å
862	S	93.7	Very high	96.2	Very high	41 Å²	41	31 Å²	31	29%	0.287	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	25	173.9	-59.4	0	0	0	0	116.9	A858 A859 R860 H864 P892 V897	A858-S862 CarbonylContact O-C 3.58Å; A858-S862 PolarHBondContact O-N 3.04Å; A859-S862 PolarHBondContact O-N 3.49Å; R860-S862 PolarHBondContact O-N 3.35Å; R860-S862 VanDerWaalsContact O-N 3.17Å; S862-H864 PolarHBondContact O-N 3.44Å; S862-P892 VanDerWaalsContact OG-CD 3.29Å; S862-P892 WeakPolarHBondContact OG-CD 3.21Å; S862-P892 WeakPolarHBondContact OG-CG 3.39Å; S862-V897 VanDerWaalsContact O-CG2 3.29Å; S862-V897 WeakPolarHBondContact O-CG2 3.19Å
863	Y	96.1	Very high	96	Very high	90 Å²	90	35.7 Å²	35.7	35%	0.353	18%	0.177	S	C	.	.			trans	-72.9	92.6	176.2	-62.5	-57.1	0	0	0	112.5	S826 F827 A858 E861 D865 C866 V867	S826-Y863 VanDerWaalsContact O-CD2 3.24Å; S826-Y863 WeakPolarHBondContact O-CD2 3.31Å; F827-Y863 VanDerWaalsContact O-CE2 3.27Å; F827-Y863 WeakPolarHBondContact O-CE2 3.42Å; A858-Y863 PolarHBondContact O-N 3.08Å; E861-Y863 VanDerWaalsContact C-N 3.31Å; E861-Y863 HydrophobicContact CB-CD2 3.65Å; E861-Y863 HydrophobicContact CB-CE2 3.37Å; E861-Y863 HydrophobicContact CG-CD2 4.48Å; E861-Y863 HydrophobicContact CG-CE2 4.04Å; E861-Y863 PolarHBondContact O-N 3.06Å; Y863-D865 PolarHBondContact O-N 3.14Å; Y863-C866 PolarHBondContact O-N 2.88Å; Y863-V867 PolarHBondContact O-N 2.91Å; Y863-V867 VanDerWaalsContact O-N 3.08Å
864	H	94.8	Very high	95.7	Very high	64 Å²	64	37.1 Å²	37.1	30%	0.296	19%	0.193	S	C	.	.	H	α-helix	trans	-54.1	-48	-174.1	-167.3	80	0	0	0	113.8	S862 C866 V867 L868 V897	S862-H864 PolarHBondContact O-N 3.44Å; H864-C866 PolarHBondContact O-N 3.49Å; H864-V867 CarbonylContact O-C 3.53Å; H864-V867 PolarHBondContact O-N 2.99Å; H864-V867 VanDerWaalsContact O-N 3.14Å; H864-L868 WeakPolarHBondContact NE2-CD1 3.33Å; H864-L868 PolarHBondContact O-N 3.5Å; H864-V897 HydrophobicContact CB-CG2 4.09Å
865	D	96.6	Very high	95.6	Very high	108 Å²	108	37.2 Å²	37.2	58%	0.578	19%	0.193	S	C	*	.	H	α-helix	trans	-67.6	-38.3	-176.2	-65.5	-23.6	0	0	0	112.7	A831 Y863 V867 L868 L869	A831-D865 HydrophobicContact CB-CB 3.87Å; Y863-D865 PolarHBondContact O-N 3.14Å; D865-V867 VanDerWaalsContact C-N 3.34Å; D865-L868 PolarHBondContact O-N 3Å; D865-L869 VanDerWaalsContact O-CB 3.25Å; D865-L869 WeakPolarHBondContact O-CB 3.33Å; D865-L869 PolarHBondContact O-N 3.42Å
866	C	97.2	Very high	95.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.5	-44.7	170.6	-75.6	0	0	0	0	111	G829 A831 A858 Y863 H864 L869 F870	G829-C866 VanDerWaalsContact C-SG 3.52Å; G829-C866 PolarHBondContact O-SG 2.82Å; G829-C866 VanDerWaalsContact O-SG 3.41Å; A831-C866 PolarHBondContact N-SG 3.45Å; A831-C866 VanDerWaalsContact N-SG 3.45Å; A858-C866 HydrophobicContact CB-CB 3.65Å; Y863-C866 PolarHBondContact O-N 2.88Å; H864-C866 PolarHBondContact O-N 3.49Å; C866-L869 PolarHBondContact O-N 3.5Å; C866-F870 HydrophobicContact CB-CE2 4.04Å; C866-F870 HydrophobicContact CB-CZ 4.35Å; C866-F870 WeakPolarHBondContact O-CB 3.33Å; C866-F870 WeakPolarHBondContact O-CD2 3.45Å; C866-F870 WeakPolarHBondContact O-CG 3.46Å; C866-F870 PolarHBondContact O-N 3.43Å
867	V	96.7	Very high	94.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.7	-41	178.2	171.8	0	0	0	0	112	L855 A858 A859 Y863 H864 D865 F870 L871 V897 L901	L855-V867 HydrophobicContact CD1-CB 4.43Å; L855-V867 HydrophobicContact CD1-CG1 4.02Å; L855-V867 HydrophobicContact CD1-CG2 4.25Å; A858-V867 HydrophobicContact CB-CG2 3.78Å; A859-V867 HydrophobicContact CB-CG2 4.34Å; Y863-V867 PolarHBondContact O-N 2.91Å; Y863-V867 VanDerWaalsContact O-N 3.08Å; H864-V867 CarbonylContact O-C 3.53Å; H864-V867 PolarHBondContact O-N 2.99Å; H864-V867 VanDerWaalsContact O-N 3.14Å; D865-V867 VanDerWaalsContact C-N 3.34Å; V867-F870 PolarHBondContact O-N 3.22Å; V867-L871 HydrophobicContact CG1-CD1 3.72Å; V867-L871 HydrophobicContact CG1-CG 4.18Å; V867-L871 VanDerWaalsContact O-CB 3.31Å; V867-L871 WeakPolarHBondContact O-CB 3.5Å; V867-L871 WeakPolarHBondContact O-CG 3.38Å; V867-L871 PolarHBondContact O-N 2.71Å; V867-V897 HydrophobicContact CB-CG1 3.96Å; V867-V897 HydrophobicContact CG1-CG1 3.86Å; V867-V897 HydrophobicContact CG2-CG1 3.68Å; V867-L901 HydrophobicContact CG1-CD2 4.08Å; V867-L901 HydrophobicContact CG1-CG 4.09Å
868	L	96.1	Very high	94.6	Very high	79 Å²	79	42.9 Å²	42.9	41%	0.414	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-46.9	173.6	-72.6	-171.5	0	0	0	111.7	H864 D865 F870 L871 S872 A900	H864-L868 WeakPolarHBondContact NE2-CD1 3.33Å; H864-L868 PolarHBondContact O-N 3.5Å; D865-L868 PolarHBondContact O-N 3Å; L868-F870 PolarHBondContact O-N 3.05Å; L868-L871 PolarHBondContact O-N 2.86Å; L868-S872 WeakPolarHBondContact O-CB 3.34Å; L868-S872 PolarHBondContact O-N 3.06Å; L868-S872 PolarHBondContact O-OG 2.95Å; L868-A900 HydrophobicContact CD2-CB 4.18Å
869	L	97.1	Very high	94.3	Very high	21 Å²	21	45.9 Å²	45.9	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-54.3	174.8	173.5	63.2	0	0	0	110.2	A831 A834 E835 L838 D865 C866 L871 S872 R873	A831-L869 WeakPolarHBondContact O-CD2 3.35Å; A834-L869 HydrophobicContact CB-CD2 3.94Å; E835-L869 HydrophobicContact CB-CD1 4.42Å; E835-L869 HydrophobicContact CB-CD2 3.99Å; L838-L869 HydrophobicContact CD1-CD2 4.27Å; L838-L869 HydrophobicContact CD1-CG 4.25Å; D865-L869 VanDerWaalsContact O-CB 3.25Å; D865-L869 WeakPolarHBondContact O-CB 3.33Å; D865-L869 PolarHBondContact O-N 3.42Å; C866-L869 PolarHBondContact O-N 3.5Å; L869-L871 PolarHBondContact O-N 2.76Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.67Å; L869-R873 HydrophobicContact CD1-CG 4.01Å; L869-R873 VanDerWaalsContact O-CG 3.23Å; L869-R873 WeakPolarHBondContact O-CG 3.05Å; L869-R873 PolarHBondContact O-N 3.3Å
870	F	97.3	Very high	94.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-45.2	-179.5	-64	-20.8	0	0	0	112.6	L822 S826 A834 L838 L844 P854 L855 A858 C866 V867 L868 S872 R873 G874 A875	L822-F870 HydrophobicContact CD1-CE1 4.06Å; L822-F870 HydrophobicContact CD1-CZ 4.22Å; S826-F870 VanDerWaalsContact OG-CE2 3.32Å; S826-F870 WeakPolarHBondContact OG-CE2 3.29Å; S826-F870 WeakPolarHBondContact OG-CZ 3.21Å; A834-F870 HydrophobicContact CB-CE1 3.92Å; A834-F870 HydrophobicContact CB-CZ 4.03Å; L838-F870 HydrophobicContact CD1-CD1 3.93Å; L838-F870 HydrophobicContact CD1-CE1 3.92Å; L844-F870 HydrophobicContact CD1-CB 3.91Å; L844-F870 HydrophobicContact CD1-CD1 3.46Å; L844-F870 VanDerWaalsContact CD1-CD1 3.46Å; L844-F870 HydrophobicContact CD1-CE1 4.16Å; L844-F870 HydrophobicContact CD1-CG 3.76Å; P854-F870 HydrophobicContact CB-CD2 4.41Å; P854-F870 HydrophobicContact CB-CE2 3.84Å; P854-F870 HydrophobicContact CB-CZ 3.94Å; P854-F870 WeakPolarHBondContact O-CE2 3.16Å; L855-F870 HydrophobicContact CB-CD2 4.42Å; L855-F870 HydrophobicContact CD1-CB 3.86Å; L855-F870 HydrophobicContact CD1-CD2 4.28Å; A858-F870 HydrophobicContact CB-CD2 4.2Å; A858-F870 HydrophobicContact CB-CE2 3.81Å; C866-F870 HydrophobicContact CB-CE2 4.04Å; C866-F870 HydrophobicContact CB-CZ 4.35Å; C866-F870 WeakPolarHBondContact O-CB 3.33Å; C866-F870 WeakPolarHBondContact O-CD2 3.45Å; C866-F870 WeakPolarHBondContact O-CG 3.46Å; C866-F870 PolarHBondContact O-N 3.43Å; V867-F870 PolarHBondContact O-N 3.22Å; L868-F870 PolarHBondContact O-N 3.05Å; F870-S872 VanDerWaalsContact C-N 3.33Å; F870-S872 PolarHBondContact O-N 3.06Å; F870-R873 CarbonylContact O-C 3.49Å; F870-R873 PolarHBondContact O-N 3.29Å; F870-G874 PolarHBondContact O-N 3.42Å; F870-G874 VanDerWaalsContact O-N 3.17Å; F870-A875 VanDerWaalsContact C-CB 3.46Å; F870-A875 HydrophobicContact CB-CB 3.78Å; F870-A875 WeakPolarHBondContact O-CB 3.25Å; F870-A875 PolarHBondContact O-N 3.32Å
871	L	95.2	Very high	94.3	Very high	15 Å²	15	49.7 Å²	49.7	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-35.4	177.2	-69.8	175.3	0	0	0	112.5	L855 V867 L868 L869 G874 A900 L901 N904	L855-L871 HydrophobicContact CD1-CD2 4.31Å; L855-L871 HydrophobicContact CD1-CG 4.29Å; L855-L871 HydrophobicContact CD2-CD2 4.26Å; V867-L871 HydrophobicContact CG1-CD1 3.72Å; V867-L871 HydrophobicContact CG1-CG 4.18Å; V867-L871 VanDerWaalsContact O-CB 3.31Å; V867-L871 WeakPolarHBondContact O-CB 3.5Å; V867-L871 WeakPolarHBondContact O-CG 3.38Å; V867-L871 PolarHBondContact O-N 2.71Å; L868-L871 PolarHBondContact O-N 2.86Å; L869-L871 PolarHBondContact O-N 2.76Å; L871-G874 PolarHBondContact O-N 2.75Å; L871-A900 HydrophobicContact CD1-CB 4.5Å; L871-L901 HydrophobicContact CD1-CD2 4.14Å; L871-L901 HydrophobicContact CD2-CD2 4.21Å; L871-N904 HydrophobicContact CD1-CB 4.08Å; L871-N904 HydrophobicContact CD2-CB 4.14Å
872	S	93.8	Very high	94.4	Very high	90 Å²	90	53 Å²	53	63%	0.629	27%	0.266	S	S	*	.	H	α-helix	trans	-67.7	-36.2	174.2	79.7	0	0	0	0	112.5	L868 L869 F870 G874	L868-S872 WeakPolarHBondContact O-CB 3.34Å; L868-S872 PolarHBondContact O-N 3.06Å; L868-S872 PolarHBondContact O-OG 2.95Å; L869-S872 PolarHBondContact O-N 2.8Å; L869-S872 PolarHBondContact O-OG 2.67Å; F870-S872 VanDerWaalsContact C-N 3.33Å; F870-S872 PolarHBondContact O-N 3.06Å; S872-G874 PolarHBondContact O-N 2.95Å
873	R	94.1	Very high	94.4	Very high	102 Å²	102	58.4 Å²	58.4	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	6.1	176.2	-57.8	-73.3	165.6	103.7	4	112.8	E835 L838 N839 L844 L869 F870	E835-R873 IonicContact OE1-CZ 2.83Å; E835-R873 IonicContact OE1-NH1 3.11Å; E835-R873 IonicContact OE1-NH2 3.1Å; E835-R873 PolarHBondContact OE1-NH2 3.21Å; L838-R873 HydrophobicContact CD1-CG 4.23Å; N839-R873 PolarHBondContact OD1-NH1 3.14Å; L844-R873 HydrophobicContact CD2-CB 3.64Å; L844-R873 WeakPolarHBondContact CD2-O 3.23Å; L869-R873 HydrophobicContact CD1-CG 4.01Å; L869-R873 VanDerWaalsContact O-CG 3.23Å; L869-R873 WeakPolarHBondContact O-CG 3.05Å; L869-R873 PolarHBondContact O-N 3.3Å; F870-R873 CarbonylContact O-C 3.49Å; F870-R873 PolarHBondContact O-N 3.29Å
874	G	91.3	Very high	94.3	Very high	33 Å²	33	55.6 Å²	55.6	34%	0.34	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-0.1	170.3	0	0	0	0	0	116.2	F870 L871 S872 N876 R908	F870-G874 PolarHBondContact O-N 3.42Å; F870-G874 VanDerWaalsContact O-N 3.17Å; L871-G874 PolarHBondContact O-N 2.75Å; S872-G874 PolarHBondContact O-N 2.95Å; G874-N876 PolarHBondContact O-N 2.84Å; G874-R908 PolarHBondContact O-NH2 3.4Å
875	A	93.7	Very high	94.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.008	29%	0.286	C	S	.	.			trans	-46.6	131.9	-176.4	0	0	0	0	0	112.5	L844 L855 F870 P877 R908	L844-A875 HydrophobicContact CD1-CB 4.12Å; L844-A875 HydrophobicContact CD2-CB 3.93Å; L844-A875 HydrophobicContact CG-CB 3.95Å; L855-A875 HydrophobicContact CB-CB 4.32Å; L855-A875 HydrophobicContact CD1-CB 4.34Å; L855-A875 HydrophobicContact CD2-CB 3.92Å; L855-A875 HydrophobicContact CG-CB 4.43Å; F870-A875 VanDerWaalsContact C-CB 3.46Å; F870-A875 HydrophobicContact CB-CB 3.78Å; F870-A875 WeakPolarHBondContact O-CB 3.25Å; F870-A875 PolarHBondContact O-N 3.32Å; A875-P877 VanDerWaalsContact O-CD 3.28Å; A875-P877 WeakPolarHBondContact O-CD 3.41Å; A875-R908 PolarHBondContact O-NH2 2.96Å
876	N	89.8	Confident	94.2	Very high	49 Å²	49	50.2 Å²	50.2	26%	0.262	26%	0.259	S	S	.	.			trans	-92.6	109.3	-171	-178.4	26.7	0	0	0	111.5	G874 E878 L879 R908	G874-N876 PolarHBondContact O-N 2.84Å; N876-E878 PolarHBondContact O-N 3.35Å; N876-E878 PolarHBondContact OD1-N 2.86Å; N876-L879 HydrophobicContact CB-CD1 4.15Å; N876-L879 HydrophobicContact CB-CG 4Å; N876-L879 PolarHBondContact O-N 2.92Å; N876-R908 PolarHBondContact OD1-NH1 3.37Å
877	P	90.4	Very high	94	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.019	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.5	-177.6	32.9	-37.4	0	0	0	113.8	L855 A875 T886 L901	L855-P877 HydrophobicContact CD2-CB 4.3Å; A875-P877 VanDerWaalsContact O-CD 3.28Å; A875-P877 WeakPolarHBondContact O-CD 3.41Å; P877-T886 WeakPolarHBondContact O-CB 3.44Å; P877-L901 HydrophobicContact CB-CD2 4.01Å
878	E	90.2	Very high	93.7	Very high	77 Å²	77	53 Å²	53	36%	0.36	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.2	175.5	-53.2	-63.4	136.1	0	0	113.5	N876 R905	N876-E878 PolarHBondContact O-N 3.35Å; N876-E878 PolarHBondContact OD1-N 2.86Å; E878-R905 VanDerWaalsContact OE1-CD 3.31Å; E878-R905 WeakPolarHBondContact OE1-CD 3.39Å; E878-R905 VanDerWaalsContact OE1-CG 3.22Å; E878-R905 WeakPolarHBondContact OE1-CG 3.43Å; E878-R905 IonicContact OE1-CZ 3.88Å; E878-R905 IonicContact OE1-NE 2.64Å; E878-R905 PolarHBondContact OE1-NE 3Å; E878-R905 IonicContact OE1-NH2 3.45Å; E878-R905 IonicContact OE2-CZ 3.01Å; E878-R905 IonicContact OE2-NE 3.61Å; E878-R905 PolarHBondContact OE2-NE 3.45Å; E878-R905 IonicContact OE2-NH2 2.7Å; E878-R905 PolarHBondContact OE2-NH2 3.41Å
879	L	92.3	Very high	93.5	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.325	27%	0.265	S	S	.	.			trans	-65.6	145.7	169.6	-67.5	175.7	0	0	0	109.6	T853 H856 N876 T886	T853-L879 HydrophobicContact CG2-CD1 4.11Å; H856-L879 PolarHBondContact CE1-O 3.14Å; H856-L879 PolarHBondContact NE2-O 2.67Å; N876-L879 HydrophobicContact CB-CD1 4.15Å; N876-L879 HydrophobicContact CB-CG 4Å; N876-L879 PolarHBondContact O-N 2.92Å; L879-T886 WeakPolarHBondContact O-CA 3.04Å; L879-T886 WeakPolarHBondContact O-CB 3.49Å; L879-T886 WeakPolarHBondContact O-CG2 3.47Å
880	R	94.4	Very high	93.3	Very high	137 Å²	137	53.1 Å²	53.1	52%	0.517	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-120.8	140.1	178.7	-70.9	177.1	178.6	-69.8	-14.9	110.4	G884 D885 T886 D889	R880-G884 WeakPolarHBondContact CD-O 3.41Å; R880-G884 WeakPolarHBondContact CG-O 3.41Å; R880-G884 PolarHBondContact NH1-O 2.86Å; R880-D885 CarbonylContact C-O 3.59Å; R880-D885 VanDerWaalsContact CA-O 3.26Å; R880-D885 WeakPolarHBondContact CA-O 3.45Å; R880-T886 HydrophobicContact CG-CG2 3.57Å; R880-D889 IonicContact CZ-OD2 2.62Å; R880-D889 IonicContact NH1-OD2 3.12Å; R880-D889 PolarHBondContact NH1-OD2 3.46Å; R880-D889 IonicContact NH2-OD2 2.57Å
881	N	95.6	Very high	93	Very high	16 Å²	16	53.6 Å²	53.6	9%	0.086	27%	0.273	C	S	.	.			trans	-75.4	-174.7	173.9	73.6	8.4	0	0	0	112.1	G851 D852 E883 G884 D885	G851-N881 WeakPolarHBondContact O-CA 3.46Å; G851-N881 WeakPolarHBondContact O-CB 3.33Å; D852-N881 VanDerWaalsContact OD1-CB 3.29Å; D852-N881 WeakPolarHBondContact OD1-CB 3.22Å; D852-N881 PolarHBondContact OD1-ND2 2.75Å; N881-E883 VanDerWaalsContact C-N 3.3Å; N881-E883 PolarHBondContact O-N 3.17Å; N881-E883 PolarHBondContact OD1-N 3.07Å; N881-G884 PolarHBondContact O-N 2.96Å; N881-G884 PolarHBondContact OD1-N 3.46Å; N881-D885 PolarHBondContact N-O 3.43Å; N881-D885 PolarHBondContact OD1-N 3.01Å; N881-D885 PolarHBondContact OD1-O 3.44Å
882	K	95.6	Very high	92.6	Very high	125 Å²	125	56 Å²	56	54%	0.543	29%	0.29	S	S	.	.	S	Bend	trans	-73.4	-18.3	-178.1	-63.2	170.9	-160.8	174.7	0	113.1	E818 N848 Y849 H850 G884	E818-K882 IonicContact OE2-NZ 3.08Å; E818-K882 PolarHBondContact OE2-NZ 2.67Å; N848-K882 PolarHBondContact O-NZ 3.3Å; Y849-K882 VanDerWaalsContact O-CD 3.23Å; Y849-K882 WeakPolarHBondContact O-CD 3.37Å; Y849-K882 WeakPolarHBondContact O-CE 3.24Å; Y849-K882 PolarHBondContact O-NZ 3.26Å; H850-K882 WeakPolarHBondContact O-CB 3.28Å; H850-K882 WeakPolarHBondContact O-CG 3.33Å; H850-K882 PolarHBondContact O-N 3.43Å; K882-G884 VanDerWaalsContact C-N 3.34Å
883	E	94.5	Very high	92.3	Very high	155 Å²	155	59.2 Å²	59.2	72%	0.724	30%	0.295	S	S	*	.	S	Bend	trans	-79.4	-24.2	170.9	-51.1	-151.1	147.9	0	0	111.3	N881	N881-E883 VanDerWaalsContact C-N 3.3Å; N881-E883 PolarHBondContact O-N 3.17Å; N881-E883 PolarHBondContact OD1-N 3.07Å
884	G	92.9	Very high	91.9	Very high	30 Å²	30	63.1 Å²	63.1	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	110.2	1.4	174.7	0	0	0	0	0	113.5	R880 N881 K882	R880-G884 WeakPolarHBondContact CD-O 3.41Å; R880-G884 WeakPolarHBondContact CG-O 3.41Å; R880-G884 PolarHBondContact NH1-O 2.86Å; N881-G884 PolarHBondContact O-N 2.96Å; N881-G884 PolarHBondContact OD1-N 3.46Å; K882-G884 VanDerWaalsContact C-N 3.34Å
885	D	95.3	Very high	91.9	Very high	59 Å²	59	62.9 Å²	62.9	32%	0.316	30%	0.302	S	S	.	.			trans	-85.6	144.3	-177.5	-67.3	-45.1	0	0	0	111.4	H856 R880 N881 D889 L890	H856-D885 PolarHBondContact NE2-O 3.42Å; R880-D885 CarbonylContact C-O 3.59Å; R880-D885 VanDerWaalsContact CA-O 3.26Å; R880-D885 WeakPolarHBondContact CA-O 3.45Å; N881-D885 PolarHBondContact N-O 3.43Å; N881-D885 PolarHBondContact OD1-N 3.01Å; N881-D885 PolarHBondContact OD1-O 3.44Å; D885-D889 HydrophobicContact CB-CB 3.99Å; D885-L890 HydrophobicContact CB-CD2 3.95Å; D885-L890 HydrophobicContact CB-CG 4.22Å
886	T	94.4	Very high	91.8	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-85.5	163.4	167.1	62.9	0	0	0	0	111	P877 L879 R880 W888 D889 L890	P877-T886 WeakPolarHBondContact O-CB 3.44Å; L879-T886 WeakPolarHBondContact O-CA 3.04Å; L879-T886 WeakPolarHBondContact O-CB 3.49Å; L879-T886 WeakPolarHBondContact O-CG2 3.47Å; R880-T886 HydrophobicContact CG-CG2 3.57Å; T886-W888 PolarHBondContact O-N 2.95Å; T886-W888 PolarHBondContact OG1-N 3.33Å; T886-D889 WeakPolarHBondContact CB-OD2 3.37Å; T886-D889 WeakPolarHBondContact CG2-OD2 3.49Å; T886-D889 PolarHBondContact N-OD2 3.43Å; T886-D889 WeakPolarHBondContact O-CA 3.14Å; T886-D889 WeakPolarHBondContact O-CB 3.03Å; T886-D889 PolarHBondContact O-N 3.02Å; T886-D889 PolarHBondContact OG1-N 2.9Å; T886-D889 PolarHBondContact OG1-OD2 2.97Å; T886-L890 PolarHBondContact O-N 3.11Å; T886-L890 VanDerWaalsContact O-N 3.09Å
887	A	93.3	Very high	92.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-51.1	-30.2	169.3	0	0	0	0	0	113.4	L855 H856 A859 T891 L901	L855-A887 HydrophobicContact CD2-CB 4.09Å; L855-A887 HydrophobicContact CG-CB 3.88Å; H856-A887 PolarHBondContact CD2-N 3.24Å; H856-A887 VanDerWaalsContact CD2-N 3.34Å; H856-A887 PolarHBondContact NE2-N 3.14Å; A859-A887 HydrophobicContact CB-CB 3.9Å; A859-A887 VanDerWaalsContact CB-O 3.28Å; A859-A887 WeakPolarHBondContact CB-O 3.26Å; A887-T891 PolarHBondContact O-N 3.31Å; A887-L901 HydrophobicContact CB-CD2 4.47Å
888	W	90.6	Very high	92.2	Very high	58 Å²	58	68.1 Å²	68.1	22%	0.22	33%	0.327	C	S	.	.	H	α-helix	trans	-77.4	-31.8	174.4	178.4	71.8	0	0	0	113.7	T886 L890 T891 W898 L901	T886-W888 PolarHBondContact O-N 2.95Å; T886-W888 PolarHBondContact OG1-N 3.33Å; W888-L890 VanDerWaalsContact C-N 3.26Å; W888-L890 PolarHBondContact O-N 3.2Å; W888-T891 WeakPolarHBondContact CA-OG1 3.32Å; W888-T891 PolarHBondContact O-OG1 3.36Å; W888-W898 AromaticContact CE2-CE2 3.92Å; W888-W898 AromaticContact CE2-NE1 3.58Å; W888-W898 AromaticContact CZ2-CE2 3.82Å; W888-W898 AromaticContact CZ2-CZ2 3.8Å; W888-W898 HydrophobicContact CZ2-CZ2 3.8Å; W888-W898 AromaticContact CZ2-NE1 3.64Å; W888-W898 AromaticContact NE1-CD1 3.46Å; W888-W898 AromaticContact NE1-CD2 3.76Å; W888-W898 AromaticContact NE1-CE2 3.47Å; W888-W898 AromaticContact NE1-CG 3.78Å; W888-W898 AromaticContact NE1-NE1 3.24Å; W888-L901 HydrophobicContact CB-CB 4.23Å; W888-L901 HydrophobicContact CB-CD1 4.45Å; W888-L901 HydrophobicContact CG-CB 4.46Å
889	D	92.2	Very high	92.3	Very high	62 Å²	62	69.5 Å²	69.5	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-24.4	174.9	-56.9	-50.6	0	0	0	111.1	R880 D885 T886	R880-D889 IonicContact CZ-OD2 2.62Å; R880-D889 IonicContact NH1-OD2 3.12Å; R880-D889 PolarHBondContact NH1-OD2 3.46Å; R880-D889 IonicContact NH2-OD2 2.57Å; D885-D889 HydrophobicContact CB-CB 3.99Å; T886-D889 WeakPolarHBondContact CB-OD2 3.37Å; T886-D889 WeakPolarHBondContact CG2-OD2 3.49Å; T886-D889 PolarHBondContact N-OD2 3.43Å; T886-D889 WeakPolarHBondContact O-CA 3.14Å; T886-D889 WeakPolarHBondContact O-CB 3.03Å; T886-D889 PolarHBondContact O-N 3.02Å; T886-D889 PolarHBondContact OG1-N 2.9Å; T886-D889 PolarHBondContact OG1-OD2 2.97Å
890	L	91.7	Very high	92.3	Very high	40 Å²	40	67.2 Å²	67.2	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-83.5	-23.3	176.1	-63.3	178.9	0	0	0	114.9	H856 R860 D885 T886 W888	H856-L890 HydrophobicContact CB-CD1 3.92Å; R860-L890 HydrophobicContact CB-CB 4.3Å; D885-L890 HydrophobicContact CB-CD2 3.95Å; D885-L890 HydrophobicContact CB-CG 4.22Å; T886-L890 PolarHBondContact O-N 3.11Å; T886-L890 VanDerWaalsContact O-N 3.09Å; W888-L890 VanDerWaalsContact C-N 3.26Å; W888-L890 PolarHBondContact O-N 3.2Å
891	T	91.1	Very high	92.3	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	30%	0.298	C	S	.	.	S	Bend	trans	-67.4	139.4	-179.8	20.4	0	0	0	0	113.4	A859 A887 W888 E893 V897 W898 L901	A859-T891 HydrophobicContact CB-CG2 4.15Å; A859-T891 WeakPolarHBondContact O-CG2 3.4Å; A887-T891 PolarHBondContact O-N 3.31Å; W888-T891 WeakPolarHBondContact CA-OG1 3.32Å; W888-T891 PolarHBondContact O-OG1 3.36Å; T891-E893 PolarHBondContact O-N 3.39Å; T891-V897 HydrophobicContact CG2-CB 3.72Å; T891-V897 HydrophobicContact CG2-CG1 3.52Å; T891-W898 HydrophobicContact CG2-CB 4.46Å; T891-L901 HydrophobicContact CG2-CD1 3.79Å
892	P	88.4	Confident	92	Very high	66 Å²	66	62 Å²	62	43%	0.429	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-53.1	135.8	165.2	-25.9	35.1	0	0	0	112.3	S862 R894 S895	S862-P892 VanDerWaalsContact OG-CD 3.29Å; S862-P892 WeakPolarHBondContact OG-CD 3.21Å; S862-P892 WeakPolarHBondContact OG-CG 3.39Å; P892-R894 PolarHBondContact O-N 3.16Å; P892-S895 PolarHBondContact O-N 2.77Å; P892-S895 PolarHBondContact O-OG 3.44Å
893	E	86.4	Confident	91.7	Very high	156 Å²	156	60.9 Å²	60.9	73%	0.729	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	128.5	-179.1	-80.2	-162.2	-167.3	0	0	111.8	T891 S895	T891-E893 PolarHBondContact O-N 3.39Å; E893-S895 VanDerWaalsContact C-N 3.32Å; E893-S895 PolarHBondContact O-N 3.27Å
894	R	85.7	Confident	91.5	Very high	184 Å²	184	55 Å²	55	69%	0.694	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	15.5	175.7	-42.6	174.7	-169.2	179.8	3.5	116	P892 F899	P892-R894 PolarHBondContact O-N 3.16Å; R894-F899 HydrophobicContact CB-CE2 4.15Å; R894-F899 HydrophobicContact CB-CZ 4.37Å; R894-F899 WeakPolarHBondContact O-CE2 3.5Å
895	S	92.1	Very high	91.2	Very high	28 Å²	28	56.7 Å²	56.7	20%	0.196	27%	0.274	C	S	.	.			trans	-65.1	158.8	162.3	68.7	0	0	0	0	111	P892 E893 V897 W898 F899	P892-S895 PolarHBondContact O-N 2.77Å; P892-S895 PolarHBondContact O-OG 3.44Å; E893-S895 VanDerWaalsContact C-N 3.32Å; E893-S895 PolarHBondContact O-N 3.27Å; S895-V897 PolarHBondContact O-N 3.35Å; S895-W898 WeakPolarHBondContact O-CB 3.42Å; S895-W898 PolarHBondContact O-N 3.22Å; S895-W898 PolarHBondContact OG-N 3.22Å; S895-W898 VanDerWaalsContact OG-N 3.08Å; S895-F899 VanDerWaalsContact O-CD2 3.27Å; S895-F899 WeakPolarHBondContact O-CD2 3.38Å; S895-F899 PolarHBondContact O-N 2.93Å
896	D	91.9	Very high	90.7	Very high	115 Å²	115	59.7 Å²	59.7	62%	0.615	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-27.6	174.8	-63.3	-59	0	0	0	112.1	F899 A900	D896-F899 PolarHBondContact O-N 2.98Å; D896-A900 WeakPolarHBondContact O-CB 3.09Å; D896-A900 PolarHBondContact O-N 3.21Å
897	V	94.5	Very high	90.3	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-45.3	171.4	-166.5	0	0	0	0	111.4	A859 S862 H864 V867 T891 S895 F899 A900 L901	A859-V897 HydrophobicContact CB-CG1 4.5Å; S862-V897 VanDerWaalsContact O-CG2 3.29Å; S862-V897 WeakPolarHBondContact O-CG2 3.19Å; H864-V897 HydrophobicContact CB-CG2 4.09Å; V867-V897 HydrophobicContact CB-CG1 3.96Å; V867-V897 HydrophobicContact CG1-CG1 3.86Å; V867-V897 HydrophobicContact CG2-CG1 3.68Å; T891-V897 HydrophobicContact CG2-CB 3.72Å; T891-V897 HydrophobicContact CG2-CG1 3.52Å; S895-V897 PolarHBondContact O-N 3.35Å; V897-F899 VanDerWaalsContact C-N 3.3Å; V897-F899 PolarHBondContact O-N 3.24Å; V897-A900 PolarHBondContact O-N 3.28Å; V897-L901 HydrophobicContact CG1-CD1 4.05Å; V897-L901 WeakPolarHBondContact O-CB 3.4Å; V897-L901 WeakPolarHBondContact O-CG 3.48Å; V897-L901 PolarHBondContact O-N 3.17Å
898	W	92.6	Very high	89.6	Confident	44 Å²	44	67.9 Å²	67.9	17%	0.167	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-40.3	174.9	-175.5	100.3	0	0	0	111.3	W888 T891 S895 Q902	W888-W898 AromaticContact CE2-CE2 3.92Å; W888-W898 AromaticContact CE2-NE1 3.58Å; W888-W898 AromaticContact CZ2-CE2 3.82Å; W888-W898 AromaticContact CZ2-CZ2 3.8Å; W888-W898 HydrophobicContact CZ2-CZ2 3.8Å; W888-W898 AromaticContact CZ2-NE1 3.64Å; W888-W898 AromaticContact NE1-CD1 3.46Å; W888-W898 AromaticContact NE1-CD2 3.76Å; W888-W898 AromaticContact NE1-CE2 3.47Å; W888-W898 AromaticContact NE1-CG 3.78Å; W888-W898 AromaticContact NE1-NE1 3.24Å; T891-W898 HydrophobicContact CG2-CB 4.46Å; S895-W898 WeakPolarHBondContact O-CB 3.42Å; S895-W898 PolarHBondContact O-N 3.22Å; S895-W898 PolarHBondContact OG-N 3.22Å; S895-W898 VanDerWaalsContact OG-N 3.08Å; W898-Q902 VanDerWaalsContact CZ2-NE2 3.31Å; W898-Q902 VanDerWaalsContact O-CB 3.24Å; W898-Q902 WeakPolarHBondContact O-CB 3.49Å; W898-Q902 PolarHBondContact O-N 3.35Å
899	F	92	Very high	88.8	Confident	106 Å²	106	70.7 Å²	70.7	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-44.4	174.4	-75.1	-65.9	0	0	0	112.4	R894 S895 D896 V897 Q902 L903	R894-F899 HydrophobicContact CB-CE2 4.15Å; R894-F899 HydrophobicContact CB-CZ 4.37Å; R894-F899 WeakPolarHBondContact O-CE2 3.5Å; S895-F899 VanDerWaalsContact O-CD2 3.27Å; S895-F899 WeakPolarHBondContact O-CD2 3.38Å; S895-F899 PolarHBondContact O-N 2.93Å; D896-F899 PolarHBondContact O-N 2.98Å; V897-F899 VanDerWaalsContact C-N 3.3Å; V897-F899 PolarHBondContact O-N 3.24Å; F899-Q902 PolarHBondContact O-N 3.49Å; F899-L903 VanDerWaalsContact O-CB 3.24Å; F899-L903 WeakPolarHBondContact O-CB 3.44Å; F899-L903 PolarHBondContact O-N 2.87Å
900	A	93.3	Very high	87.5	Confident	15 Å²	15	69.3 Å²	69.3	12%	0.124	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-47.3	177.9	0	0	0	0	0	112.1	L868 L871 D896 V897 L903 N904	L868-A900 HydrophobicContact CD2-CB 4.18Å; L871-A900 HydrophobicContact CD1-CB 4.5Å; D896-A900 WeakPolarHBondContact O-CB 3.09Å; D896-A900 PolarHBondContact O-N 3.21Å; V897-A900 PolarHBondContact O-N 3.28Å; A900-L903 PolarHBondContact O-N 3.24Å; A900-N904 WeakPolarHBondContact O-CB 3.35Å; A900-N904 PolarHBondContact O-N 3.03Å
901	L	93.3	Very high	86.1	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-46.6	175.8	-72.4	166.9	0	0	0	111.5	L855 A859 V867 L871 P877 A887 W888 T891 V897 L903 N904 R905	L855-L901 HydrophobicContact CD1-CD2 4.26Å; L855-L901 HydrophobicContact CD2-CD2 4.3Å; L855-L901 HydrophobicContact CG-CD2 4.46Å; A859-L901 HydrophobicContact CB-CD1 3.88Å; V867-L901 HydrophobicContact CG1-CD2 4.08Å; V867-L901 HydrophobicContact CG1-CG 4.09Å; L871-L901 HydrophobicContact CD1-CD2 4.14Å; L871-L901 HydrophobicContact CD2-CD2 4.21Å; P877-L901 HydrophobicContact CB-CD2 4.01Å; A887-L901 HydrophobicContact CB-CD2 4.47Å; W888-L901 HydrophobicContact CB-CB 4.23Å; W888-L901 HydrophobicContact CB-CD1 4.45Å; W888-L901 HydrophobicContact CG-CB 4.46Å; T891-L901 HydrophobicContact CG2-CD1 3.79Å; V897-L901 HydrophobicContact CG1-CD1 4.05Å; V897-L901 WeakPolarHBondContact O-CB 3.4Å; V897-L901 WeakPolarHBondContact O-CG 3.48Å; V897-L901 PolarHBondContact O-N 3.17Å; L901-L903 VanDerWaalsContact C-N 3.34Å; L901-L903 PolarHBondContact O-N 2.84Å; L901-N904 PolarHBondContact O-N 3.41Å; L901-R905 VanDerWaalsContact O-CB 3.31Å; L901-R905 WeakPolarHBondContact O-CB 3.44Å; L901-R905 PolarHBondContact O-N 3.31Å
902	Q	90.3	Very high	84.2	Confident	41 Å²	41	73 Å²	73	19%	0.192	37%	0.372	C	S	.	.	H	α-helix	trans	-66.5	-34.6	178.4	-169.4	179.7	104.9	0	0	112.6	W898 F899 K906	W898-Q902 VanDerWaalsContact CZ2-NE2 3.31Å; W898-Q902 VanDerWaalsContact O-CB 3.24Å; W898-Q902 WeakPolarHBondContact O-CB 3.49Å; W898-Q902 PolarHBondContact O-N 3.35Å; F899-Q902 PolarHBondContact O-N 3.49Å; Q902-K906 HydrophobicContact CG-CD 4.34Å; Q902-K906 WeakPolarHBondContact O-CB 3.28Å; Q902-K906 VanDerWaalsContact O-CG 3.29Å; Q902-K906 WeakPolarHBondContact O-CG 3.24Å; Q902-K906 PolarHBondContact O-N 2.95Å
903	L	89.2	Confident	82.4	Confident	103 Å²	103	75.6 Å²	75.6	54%	0.539	38%	0.382	S	S	.	.	H	α-helix	trans	-67.4	-47.6	174.4	179.4	58.9	0	0	0	110.8	F899 A900 L901 R905 K906 L907	F899-L903 VanDerWaalsContact O-CB 3.24Å; F899-L903 WeakPolarHBondContact O-CB 3.44Å; F899-L903 PolarHBondContact O-N 2.87Å; A900-L903 PolarHBondContact O-N 3.24Å; L901-L903 VanDerWaalsContact C-N 3.34Å; L901-L903 PolarHBondContact O-N 2.84Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 3.36Å; L903-K906 PolarHBondContact O-N 2.9Å; L903-L907 HydrophobicContact CD1-CD1 4.16Å; L903-L907 HydrophobicContact CD1-CG 4.18Å; L903-L907 HydrophobicContact CG-CD1 3.98Å; L903-L907 HydrophobicContact CG-CG 4.44Å; L903-L907 WeakPolarHBondContact O-CB 3.47Å; L903-L907 VanDerWaalsContact O-CG 3.31Å; L903-L907 WeakPolarHBondContact O-CG 3.35Å; L903-L907 PolarHBondContact O-N 3.03Å
904	N	90	Very high	80.6	Confident	32 Å²	32	75.2 Å²	75.2	17%	0.171	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-43.5	177.5	-162.5	-78.7	0	0	0	111.4	L871 A900 L901 L907 R908	L871-N904 HydrophobicContact CD1-CB 4.08Å; L871-N904 HydrophobicContact CD2-CB 4.14Å; A900-N904 WeakPolarHBondContact O-CB 3.35Å; A900-N904 PolarHBondContact O-N 3.03Å; L901-N904 PolarHBondContact O-N 3.41Å; N904-L907 PolarHBondContact O-N 3.17Å; N904-R908 WeakPolarHBondContact O-CG 3.4Å; N904-R908 PolarHBondContact O-N 2.82Å; N904-R908 PolarHBondContact OD1-NE 2.91Å
905	R	86.7	Confident	78.8	Confident	65 Å²	65	68.4 Å²	68.4	25%	0.245	36%	0.357	C	S	.	.	H	α-helix	trans	-54.7	-51.6	171.4	174.5	170.4	-138.1	-164.6	5.5	112.8	E878 L901 L903 L907 R908 L909	E878-R905 VanDerWaalsContact OE1-CD 3.31Å; E878-R905 WeakPolarHBondContact OE1-CD 3.39Å; E878-R905 VanDerWaalsContact OE1-CG 3.22Å; E878-R905 WeakPolarHBondContact OE1-CG 3.43Å; E878-R905 IonicContact OE1-CZ 3.88Å; E878-R905 IonicContact OE1-NE 2.64Å; E878-R905 PolarHBondContact OE1-NE 3Å; E878-R905 IonicContact OE1-NH2 3.45Å; E878-R905 IonicContact OE2-CZ 3.01Å; E878-R905 IonicContact OE2-NE 3.61Å; E878-R905 PolarHBondContact OE2-NE 3.45Å; E878-R905 IonicContact OE2-NH2 2.7Å; E878-R905 PolarHBondContact OE2-NH2 3.41Å; L901-R905 VanDerWaalsContact O-CB 3.31Å; L901-R905 WeakPolarHBondContact O-CB 3.44Å; L901-R905 PolarHBondContact O-N 3.31Å; L903-R905 VanDerWaalsContact C-N 3.32Å; L903-R905 PolarHBondContact O-N 3.36Å; R905-L907 VanDerWaalsContact C-N 3.32Å; R905-L907 PolarHBondContact O-N 3.13Å; R905-R908 PolarHBondContact O-N 3.15Å; R905-L909 HydrophobicContact CG-CD1 4.28Å; R905-L909 WeakPolarHBondContact O-CG 3.29Å; R905-L909 PolarHBondContact O-N 3.06Å; R905-L909 VanDerWaalsContact O-N 3.09Å
906	K	85.9	Confident	76.8	Confident	122 Å²	122	72.4 Å²	72.4	53%	0.53	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-38.3	176.9	-75	167.7	-178.4	166.9	0	112.2	Q902 L903 G910	Q902-K906 HydrophobicContact CG-CD 4.34Å; Q902-K906 WeakPolarHBondContact O-CB 3.28Å; Q902-K906 VanDerWaalsContact O-CG 3.29Å; Q902-K906 WeakPolarHBondContact O-CG 3.24Å; Q902-K906 PolarHBondContact O-N 2.95Å; L903-K906 PolarHBondContact O-N 2.9Å; K906-G910 PolarHBondContact O-N 3.15Å
907	L	84.1	Confident	75	Confident	83 Å²	83	77.4 Å²	77.4	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-46.1	176.4	-71.6	170.8	0	0	0	111.6	L903 N904 R905 L909 G910 V911	L903-L907 HydrophobicContact CD1-CD1 4.16Å; L903-L907 HydrophobicContact CD1-CG 4.18Å; L903-L907 HydrophobicContact CG-CD1 3.98Å; L903-L907 HydrophobicContact CG-CG 4.44Å; L903-L907 WeakPolarHBondContact O-CB 3.47Å; L903-L907 VanDerWaalsContact O-CG 3.31Å; L903-L907 WeakPolarHBondContact O-CG 3.35Å; L903-L907 PolarHBondContact O-N 3.03Å; N904-L907 PolarHBondContact O-N 3.17Å; R905-L907 VanDerWaalsContact C-N 3.32Å; R905-L907 PolarHBondContact O-N 3.13Å; L907-L909 PolarHBondContact O-N 3.26Å; L907-G910 CarbonylContact O-C 3.59Å; L907-G910 PolarHBondContact O-N 2.85Å; L907-G910 VanDerWaalsContact O-N 3.13Å; L907-V911 WeakPolarHBondContact O-CB 3.33Å; L907-V911 VanDerWaalsContact O-CG2 3.31Å; L907-V911 WeakPolarHBondContact O-CG2 3.29Å; L907-V911 PolarHBondContact O-N 3.36Å
908	R	79.2	Confident	73.6	Confident	90 Å²	90	80.7 Å²	80.7	34%	0.34	41%	0.405	S	S	.	.	H	α-helix	trans	-56.9	-47.1	175.4	-73.1	-179.9	-175.5	-118.8	-10.3	111.9	G874 A875 N876 N904 R905 G910 V911 G912	G874-R908 PolarHBondContact O-NH2 3.4Å; A875-R908 PolarHBondContact O-NH2 2.96Å; N876-R908 PolarHBondContact OD1-NH1 3.37Å; N904-R908 WeakPolarHBondContact O-CG 3.4Å; N904-R908 PolarHBondContact O-N 2.82Å; N904-R908 PolarHBondContact OD1-NE 2.91Å; R905-R908 PolarHBondContact O-N 3.15Å; R908-G910 PolarHBondContact O-N 2.62Å; R908-V911 PolarHBondContact O-N 3.39Å; R908-G912 PolarHBondContact O-N 3.08Å
909	L	74	Confident	73	Confident	117 Å²	117	83.1 Å²	83.1	61%	0.613	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-40.2	175.1	-67.3	169.5	0	0	0	112.3	R905 L907 G912	R905-L909 HydrophobicContact CG-CD1 4.28Å; R905-L909 WeakPolarHBondContact O-CG 3.29Å; R905-L909 PolarHBondContact O-N 3.06Å; R905-L909 VanDerWaalsContact O-N 3.09Å; L907-L909 PolarHBondContact O-N 3.26Å; L909-G912 PolarHBondContact O-N 3.42Å
910	G	64.6	Low	72.6	Confident	32 Å²	32	83.4 Å²	83.4	33%	0.33	42%	0.419	S	S	.	.	H	α-helix	trans	-66.5	-35.9	175.3	0	0	0	0	0	113.8	K906 L907 R908 N913 R914	K906-G910 PolarHBondContact O-N 3.15Å; L907-G910 CarbonylContact O-C 3.59Å; L907-G910 PolarHBondContact O-N 2.85Å; L907-G910 VanDerWaalsContact O-N 3.13Å; R908-G910 PolarHBondContact O-N 2.62Å; G910-N913 PolarHBondContact O-N 2.96Å; G910-R914 WeakPolarHBondContact O-CG 3.48Å; G910-R914 PolarHBondContact O-N 2.57Å
911	V	62.3	Low	72.5	Confident	87 Å²	87	88.4 Å²	88.4	53%	0.527	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-37.7	176.3	167.3	0	0	0	0	111	L907 R908 N913 R914 A915	L907-V911 WeakPolarHBondContact O-CB 3.33Å; L907-V911 VanDerWaalsContact O-CG2 3.31Å; L907-V911 WeakPolarHBondContact O-CG2 3.29Å; L907-V911 PolarHBondContact O-N 3.36Å; R908-V911 PolarHBondContact O-N 3.39Å; V911-N913 VanDerWaalsContact C-N 3.32Å; V911-N913 PolarHBondContact O-N 2.64Å; V911-R914 CarbonylContact O-C 3.51Å; V911-R914 PolarHBondContact O-N 3.39Å; V911-R914 VanDerWaalsContact O-N 3.1Å; V911-A915 WeakPolarHBondContact O-CB 3.47Å; V911-A915 PolarHBondContact O-N 3.1Å
912	G	52.1	Low	72.4	Confident	42 Å²	42	91.7 Å²	91.7	43%	0.433	46%	0.46	S	S	.	.	H	α-helix	trans	-55	-45.3	172.1	0	0	0	0	0	112.9	R908 L909 A915	R908-G912 PolarHBondContact O-N 3.08Å; L909-G912 PolarHBondContact O-N 3.42Å; G912-A915 PolarHBondContact O-N 3.11Å
913	N	49.9	Very low	72.6	Confident	121 Å²	121	91.6 Å²	91.6	65%	0.647	46%	0.463	S	S	*	.	H	α-helix	trans	-74	-27.1	176.2	-73.5	-23.8	0	0	0	113.5	G910 V911	G910-N913 PolarHBondContact O-N 2.96Å; V911-N913 VanDerWaalsContact C-N 3.32Å; V911-N913 PolarHBondContact O-N 2.64Å
914	R	49.4	Very low	72.9	Confident	148 Å²	148	97.1 Å²	97.1	56%	0.558	48%	0.477	S	S	*	.	H	α-helix	trans	-73.9	-31.8	171.4	-73.9	-178	176.5	-175.9	0.7	112.4	Y274 G910 V911 I916 R917 T918	Y274-R914 PolarHBondContact OH-NH1 2.92Å; G910-R914 WeakPolarHBondContact O-CG 3.48Å; G910-R914 PolarHBondContact O-N 2.57Å; V911-R914 CarbonylContact O-C 3.51Å; V911-R914 PolarHBondContact O-N 3.39Å; V911-R914 VanDerWaalsContact O-N 3.1Å; R914-I916 PolarHBondContact O-N 3.5Å; R914-I916 VanDerWaalsContact O-N 3.09Å; R914-R917 CarbonylContact O-C 3.58Å; R914-R917 WeakPolarHBondContact O-CA 3.48Å; R914-R917 PolarHBondContact O-N 2.9Å; R914-T918 PolarHBondContact O-N 3.24Å
915	A	46.6	Very low	73.3	Confident	40 Å²	40	96.8 Å²	96.8	33%	0.331	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.1	179.1	0	0	0	0	0	114.3	V911 G912 K920	V911-A915 WeakPolarHBondContact O-CB 3.47Å; V911-A915 PolarHBondContact O-N 3.1Å; G912-A915 PolarHBondContact O-N 3.11Å; A915-K920 WeakPolarHBondContact O-CE 3.39Å; A915-K920 PolarHBondContact O-NZ 3.05Å
916	I	50.6	Low	73.8	Confident	112 Å²	112	94 Å²	94	57%	0.574	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-25.9	167.5	-60.4	173.9	0	0	0	111.1	R914	R914-I916 PolarHBondContact O-N 3.5Å; R914-I916 VanDerWaalsContact O-N 3.09Å
917	R	53.3	Low	74.3	Confident	220 Å²	220	88.2 Å²	88.2	83%	0.83	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-13.4	-177.5	-69.3	-174.3	171.7	-172.4	-2.5	114.8	R914 E919	R914-R917 CarbonylContact O-C 3.58Å; R914-R917 WeakPolarHBondContact O-CA 3.48Å; R914-R917 PolarHBondContact O-N 2.9Å; R917-E919 PolarHBondContact O-N 3.16Å
918	T	65.2	Low	74.8	Confident	74 Å²	74	90.1 Å²	90.1	45%	0.454	44%	0.441	S	S	.	.	S	Bend	trans	-72	121.3	169.5	49.7	0	0	0	0	109.5	R914 K920	R914-T918 PolarHBondContact O-N 3.24Å; T918-K920 PolarHBondContact O-N 2.91Å
919	E	80.3	Confident	75.6	Confident	95 Å²	95	88.7 Å²	88.7	44%	0.444	46%	0.455	S	S	.	.			trans	-62.9	114.8	171.8	-175.4	176	103.6	0	0	109.9	R917 V938 R1053	R917-E919 PolarHBondContact O-N 3.16Å; E919-V938 HydrophobicContact CG-CB 3.74Å; E919-V938 HydrophobicContact CG-CG1 4.47Å; E919-V938 HydrophobicContact CG-CG2 3.9Å; E919-R1053 IonicContact OE1-NH2 2.71Å; E919-R1053 PolarHBondContact OE1-NH2 3.02Å; E919-R1053 IonicContact OE2-CZ 2.82Å; E919-R1053 IonicContact OE2-NH1 3.23Å; E919-R1053 PolarHBondContact OE2-NH1 3.08Å; E919-R1053 VanDerWaalsContact OE2-NH1 3.1Å; E919-R1053 IonicContact OE2-NH2 2.69Å; E919-R1053 PolarHBondContact OE2-NH2 3.48Å
920	K	84.4	Confident	76.6	Confident	111 Å²	111	89.1 Å²	89.1	48%	0.483	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.3	-179.6	-67.3	167.6	-170.2	161.7	0	109.9	A915 T918 I922 V938 N939	A915-K920 WeakPolarHBondContact O-CE 3.39Å; A915-K920 PolarHBondContact O-NZ 3.05Å; T918-K920 PolarHBondContact O-N 2.91Å; K920-I922 PolarHBondContact O-N 2.88Å; K920-V938 CarbonylContact O-C 3.55Å; K920-V938 WeakPolarHBondContact O-CA 3.24Å; K920-N939 PolarHBondContact N-O 3.21Å; K920-N939 PolarHBondContact O-N 2.7Å
921	I	90.9	Very high	78.2	Confident	121 Å²	121	88.8 Å²	88.8	62%	0.621	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	109.7	165.7	-55.8	170.9	0	0	0	107.6	V938	I921-V938 HydrophobicContact CB-CG1 4.44Å; I921-V938 HydrophobicContact CG1-CG1 3.97Å
922	I	91.4	Very high	79.8	Confident	69 Å²	69	89.1 Å²	89.1	35%	0.354	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-37	179.7	-53.2	164.6	0	0	0	110.6	K920 C937 N939 E944 C946 W1050	K920-I922 PolarHBondContact O-N 2.88Å; I922-C937 PolarHBondContact N-O 3.26Å; I922-N939 HydrophobicContact CD1-CB 3.47Å; I922-N939 VanDerWaalsContact CD1-CB 3.47Å; I922-N939 HydrophobicContact CG1-CB 4.38Å; I922-E944 VanDerWaalsContact CD1-O 3.24Å; I922-E944 WeakPolarHBondContact CD1-O 3.46Å; I922-C946 HydrophobicContact CB-CB 4.3Å; I922-C946 HydrophobicContact CG2-CB 3.84Å; I922-W1050 HydrophobicContact CD1-CH2 4.28Å
923	C	94.1	Very high	82	Confident	39 Å²	39	88.2 Å²	88.2	26%	0.264	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.9	173.9	-173.2	0	0	0	0	110.7	D925 V926 P936 C937 C946	C923-D925 PolarHBondContact SG-O 3.02Å; C923-V926 HydrophobicContact CB-CG1 4.48Å; C923-P936 WeakPolarHBondContact O-CA 3.37Å; C923-C937 HydrophobicContact CB-CB 3.95Å; C923-C937 PolarHBondContact N-O 3.31Å; C923-C937 PolarHBondContact O-N 2.8Å; C923-C946 HydrophobicContact CB-CB 4.16Å
924	R	95.8	Very high	84.2	Confident	220 Å²	220	85.1 Å²	85.1	83%	0.83	41%	0.411	S	S	*	.	S	Bend	trans	-73.9	-30.1	179.8	-63.2	-179.3	73.6	176.1	4.1	112.6
925	D	97.5	Very high	86.5	Confident	25 Å²	25	78.1 Å²	78.1	13%	0.134	38%	0.384	C	S	.	.			trans	-159.6	114.7	176	-179.6	26.3	0	0	0	111.7	C923 A927 R928 G929 P934 I935	C923-D925 PolarHBondContact SG-O 3.02Å; D925-A927 VanDerWaalsContact C-N 3.27Å; D925-A927 PolarHBondContact O-N 3.01Å; D925-A927 WeakPolarHBondContact OD1-CB 3.49Å; D925-A927 PolarHBondContact OD1-N 3.46Å; D925-R928 PolarHBondContact O-N 3.17Å; D925-R928 PolarHBondContact OD2-N 2.85Å; D925-G929 PolarHBondContact OD2-N 3.44Å; D925-P934 HydrophobicContact CB-CB 3.63Å; D925-P934 WeakPolarHBondContact OD1-CA 3.29Å; D925-I935 WeakPolarHBondContact CA-O 3.29Å; D925-I935 PolarHBondContact OD1-N 3.46Å
926	V	97.2	Very high	89	Confident	6 Å²	6	77.1 Å²	77.1	4%	0.036	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-23	176.3	-58.2	0	0	0	0	113	C923 R928 I935 C937 Y952 L1042	C923-V926 HydrophobicContact CB-CG1 4.48Å; V926-R928 VanDerWaalsContact C-N 3.31Å; V926-I935 HydrophobicContact CG2-CB 4.17Å; V926-I935 HydrophobicContact CG2-CG2 4.21Å; V926-I935 PolarHBondContact N-O 3.07Å; V926-C937 HydrophobicContact CG1-CB 3.79Å; V926-Y952 HydrophobicContact CB-CD2 4.45Å; V926-Y952 HydrophobicContact CG2-CD2 4.03Å; V926-Y952 HydrophobicContact CG2-CE2 3.91Å; V926-L1042 HydrophobicContact CG1-CD2 3.96Å
927	A	97.1	Very high	91.2	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.2	177.4	0	0	0	0	0	113.3	D925 G929 Y930 E931 Y952	D925-A927 VanDerWaalsContact C-N 3.27Å; D925-A927 PolarHBondContact O-N 3.01Å; D925-A927 WeakPolarHBondContact OD1-CB 3.49Å; D925-A927 PolarHBondContact OD1-N 3.46Å; A927-G929 VanDerWaalsContact C-N 3.27Å; A927-G929 PolarHBondContact O-N 3.31Å; A927-Y930 WeakPolarHBondContact O-CB 3.35Å; A927-Y930 WeakPolarHBondContact O-CD2 3.27Å; A927-Y930 PolarHBondContact O-N 3.26Å; A927-E931 HydrophobicContact CB-CB 4.13Å; A927-E931 HydrophobicContact CB-CG 3.55Å; A927-Y952 HydrophobicContact CB-CD1 4.11Å; A927-Y952 HydrophobicContact CB-CE1 3.65Å; A927-Y952 HydrophobicContact CB-CE2 4.17Å
928	R	95.2	Very high	93.3	Very high	123 Å²	123	61.4 Å²	61.4	46%	0.464	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	39.8	-176.7	-49.4	173.3	-58.8	-83.6	-13	113	D925 V926 Y952	D925-R928 PolarHBondContact O-N 3.17Å; D925-R928 PolarHBondContact OD2-N 2.85Å; V926-R928 VanDerWaalsContact C-N 3.31Å; R928-Y952 PolarHBondContact NH2-O 3.38Å
929	G	94.8	Very high	94.6	Very high	61 Å²	61	58.1 Å²	58.1	63%	0.629	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	6.1	177.9	0	0	0	0	0	116.1	D925 A927	D925-G929 PolarHBondContact OD2-N 3.44Å; A927-G929 VanDerWaalsContact C-N 3.27Å; A927-G929 PolarHBondContact O-N 3.31Å
930	Y	96.6	Very high	95.1	Very high	125 Å²	125	55 Å²	55	49%	0.49	28%	0.281	S	S	.	.			trans	-80.4	-10.7	179.6	-82.3	-100.2	0	0	0	114.8	A927	A927-Y930 WeakPolarHBondContact O-CB 3.35Å; A927-Y930 WeakPolarHBondContact O-CD2 3.27Å; A927-Y930 PolarHBondContact O-N 3.26Å
931	E	97.6	Very high	95.3	Very high	26 Å²	26	53.1 Å²	53.1	12%	0.121	28%	0.279	C	S	.	.	S	Bend	trans	-108.2	156.3	177	-61	-71.1	175.8	0	0	110.1	A927 V933 I935 Y952 I1036	A927-E931 HydrophobicContact CB-CB 4.13Å; A927-E931 HydrophobicContact CB-CG 3.55Å; E931-V933 PolarHBondContact O-N 3.22Å; E931-I935 HydrophobicContact CG-CD1 4.24Å; E931-Y952 HydrophobicContact CG-CE1 4.19Å; E931-Y952 WeakPolarHBondContact CG-OH 3.38Å; E931-Y952 PolarHBondContact OE1-OH 3.44Å; E931-I1036 HydrophobicContact CG-CD1 4.32Å; E931-I1036 WeakPolarHBondContact OE2-CD1 3.45Å; E931-I1036 WeakPolarHBondContact OE2-CG1 3.39Å
932	N	96.6	Very high	95.2	Very high	94 Å²	94	50.6 Å²	50.6	50%	0.503	27%	0.267	S	S	.	.	S	Bend	trans	-60.7	-19.3	178.1	-54.4	-87.2	0	0	0	113.9	S1034 G1035 I1036 K1037	N932-S1034 PolarHBondContact ND2-O 3.01Å; N932-G1035 VanDerWaalsContact ND2-C 3.34Å; N932-I1036 WeakPolarHBondContact CB-O 3.39Å; N932-I1036 PolarHBondContact ND2-O 2.79Å; N932-K1037 PolarHBondContact ND2-NZ 2.99Å; N932-K1037 PolarHBondContact OD1-NZ 2.8Å
933	V	96.4	Very high	94.9	Very high	22 Å²	22	51.1 Å²	51.1	13%	0.133	29%	0.289	C	S	.	.	S	Bend	trans	-139.5	134.6	-177.6	-70.4	0	0	0	0	109.5	E931 I1036	E931-V933 PolarHBondContact O-N 3.22Å; V933-I1036 HydrophobicContact CG2-CG2 3.92Å
934	P	97.4	Very high	94.8	Very high	57 Å²	57	53.3 Å²	53.3	37%	0.37	30%	0.295	S	S	.	.			trans	-70.1	140.9	179.4	24	-29.9	0	0	0	111.7	D925 P936 R1039	D925-P934 HydrophobicContact CB-CB 3.63Å; D925-P934 WeakPolarHBondContact OD1-CA 3.29Å; P934-P936 WeakPolarHBondContact O-CD 3.41Å; P934-R1039 PolarHBondContact O-NH2 3.26Å
935	I	98	Very high	94.6	Very high	0 Å²	0	47 Å²	47	0%	0	28%	0.283	C	S	.	.			trans	-111.9	93.2	-176.2	-53.7	179.5	0	0	0	108.2	D925 V926 E931 I1036 L1040 I1107	D925-I935 WeakPolarHBondContact CA-O 3.29Å; D925-I935 PolarHBondContact OD1-N 3.46Å; V926-I935 HydrophobicContact CG2-CB 4.17Å; V926-I935 HydrophobicContact CG2-CG2 4.21Å; V926-I935 PolarHBondContact N-O 3.07Å; E931-I935 HydrophobicContact CG-CD1 4.24Å; I935-I1036 HydrophobicContact CD1-CD1 4.13Å; I935-L1040 HydrophobicContact CG2-CB 4.39Å; I935-I1107 HydrophobicContact CD1-CB 3.85Å; I935-I1107 HydrophobicContact CD1-CG1 4.1Å; I935-I1107 HydrophobicContact CD1-CG2 3.91Å; I935-I1107 HydrophobicContact CG2-CD1 3.74Å; I935-I1107 HydrophobicContact CG2-CG1 4.01Å
936	P	97.8	Very high	94.5	Very high	20 Å²	20	46.7 Å²	46.7	13%	0.13	28%	0.282	C	S	.	.			trans	-68.8	153.2	-178.1	27.1	-34.3	0	0	0	112.2	C923 P934 Q1041 L1042 L1055	C923-P936 WeakPolarHBondContact O-CA 3.37Å; P934-P936 WeakPolarHBondContact O-CD 3.41Å; P936-Q1041 HydrophobicContact CG-CB 4.43Å; P936-Q1041 HydrophobicContact CG-CG 4.22Å; P936-L1042 PolarHBondContact O-N 2.72Å; P936-L1055 HydrophobicContact CG-CD1 4.3Å
937	C	97.9	Very high	94.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.2	172.2	-179.4	0	0	0	0	110.6	I922 C923 V926 C946 L1042 W1050	I922-C937 PolarHBondContact N-O 3.26Å; C923-C937 HydrophobicContact CB-CB 3.95Å; C923-C937 PolarHBondContact N-O 3.31Å; C923-C937 PolarHBondContact O-N 2.8Å; V926-C937 HydrophobicContact CG1-CB 3.79Å; C937-C946 HydrophobicContact CB-CB 4.41Å; C937-L1042 CarbonylContact C-O 3.54Å; C937-L1042 VanDerWaalsContact CA-O 3.28Å; C937-L1042 WeakPolarHBondContact CA-O 3.27Å; C937-L1042 HydrophobicContact CB-CB 4.33Å; C937-L1042 HydrophobicContact CB-CD2 4.15Å; C937-L1042 HydrophobicContact CB-CG 4.49Å; C937-W1050 VanDerWaalsContact SG-CZ3 3.53Å
938	V	96.1	Very high	94.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.1	-178.7	-56.6	0	0	0	0	114	E919 K920 I921 Q1041 L1042 Y1043 R1044	E919-V938 HydrophobicContact CG-CB 3.74Å; E919-V938 HydrophobicContact CG-CG1 4.47Å; E919-V938 HydrophobicContact CG-CG2 3.9Å; K920-V938 CarbonylContact O-C 3.55Å; K920-V938 WeakPolarHBondContact O-CA 3.24Å; I921-V938 HydrophobicContact CB-CG1 4.44Å; I921-V938 HydrophobicContact CG1-CG1 3.97Å; V938-Q1041 HydrophobicContact CG1-CG 4.35Å; V938-Q1041 HydrophobicContact CG2-CG 3.92Å; V938-L1042 PolarHBondContact N-O 3.28Å; V938-Y1043 VanDerWaalsContact O-CA 3.28Å; V938-Y1043 WeakPolarHBondContact O-CA 3.25Å; V938-R1044 PolarHBondContact O-N 3.43Å; V938-R1044 VanDerWaalsContact O-N 3.09Å
939	N	94.2	Very high	94.3	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.032	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.7	173.8	-165.6	-13.3	0	0	0	111.2	K920 I922 V941 D942 E944 R1044 W1050	K920-N939 PolarHBondContact N-O 3.21Å; K920-N939 PolarHBondContact O-N 2.7Å; I922-N939 HydrophobicContact CD1-CB 3.47Å; I922-N939 VanDerWaalsContact CD1-CB 3.47Å; I922-N939 HydrophobicContact CG1-CB 4.38Å; N939-V941 PolarHBondContact OD1-N 3.42Å; N939-D942 PolarHBondContact ND2-O 2.81Å; N939-D942 PolarHBondContact ND2-OD1 3.15Å; N939-D942 PolarHBondContact OD1-N 3.4Å; N939-D942 VanDerWaalsContact OD1-N 3.1Å; N939-D942 PolarHBondContact OD1-O 3.45Å; N939-E944 PolarHBondContact ND2-N 3.3Å; N939-E944 PolarHBondContact ND2-O 3.31Å; N939-R1044 HydrophobicContact CB-CB 4.15Å; N939-R1044 VanDerWaalsContact OD1-CB 3.26Å; N939-R1044 WeakPolarHBondContact OD1-CB 3.26Å; N939-W1050 HydrophobicContact CB-CH2 4.28Å
940	G	89.2	Confident	94.5	Very high	30 Å²	30	51.9 Å²	51.9	31%	0.309	30%	0.298	S	S	.	.	S	Bend	trans	-134	23.9	172.4	0	0	0	0	0	112.2
941	V	88.9	Confident	94.5	Very high	71 Å²	71	51.2 Å²	51.2	43%	0.43	30%	0.298	S	S	.	.	S	Bend	trans	-119.4	-48.5	-174.5	178.7	0	0	0	0	111	N939 R1044	N939-V941 PolarHBondContact OD1-N 3.42Å; V941-R1044 HydrophobicContact CB-CB 4.31Å; V941-R1044 HydrophobicContact CB-CG 3.99Å; V941-R1044 HydrophobicContact CG2-CB 4.37Å; V941-R1044 HydrophobicContact CG2-CG 4.45Å; V941-R1044 WeakPolarHBondContact CG2-O 3.38Å
942	D	88.5	Confident	94.5	Very high	68 Å²	68	50.1 Å²	50.1	36%	0.364	29%	0.292	S	S	.	.	S	Bend	trans	-142.4	-167.9	-176.7	64	29	0	0	0	112	N939 E944 R1044	N939-D942 PolarHBondContact ND2-O 2.81Å; N939-D942 PolarHBondContact ND2-OD1 3.15Å; N939-D942 PolarHBondContact OD1-N 3.4Å; N939-D942 VanDerWaalsContact OD1-N 3.1Å; N939-D942 PolarHBondContact OD1-O 3.45Å; D942-E944 WeakPolarHBondContact OD1-CB 3.29Å; D942-E944 PolarHBondContact OD1-N 3.17Å; D942-R1044 IonicContact OD1-CZ 3.56Å; D942-R1044 IonicContact OD1-NE 2.74Å; D942-R1044 PolarHBondContact OD1-NE 3.46Å; D942-R1044 IonicContact OD1-NH2 3.85Å; D942-R1044 IonicContact OD2-CZ 3.07Å; D942-R1044 IonicContact OD2-NE 3.26Å; D942-R1044 PolarHBondContact OD2-NE 3.24Å; D942-R1044 IonicContact OD2-NH2 3.3Å; D942-R1044 PolarHBondContact OD2-NH2 2.9Å
943	G	86.8	Confident	94.6	Very high	80 Å²	80	47.2 Å²	47.2	83%	0.825	28%	0.277	S	S	*	.	S	Bend	trans	-91.8	7.4	179.7	0	0	0	0	0	115
944	E	90.9	Very high	94.7	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-66.2	128.3	-173.5	-160.7	96.7	109.2	0	0	111.4	I922 N939 D942 R1044 W1050	I922-E944 VanDerWaalsContact CD1-O 3.24Å; I922-E944 WeakPolarHBondContact CD1-O 3.46Å; N939-E944 PolarHBondContact ND2-N 3.3Å; N939-E944 PolarHBondContact ND2-O 3.31Å; D942-E944 WeakPolarHBondContact OD1-CB 3.29Å; D942-E944 PolarHBondContact OD1-N 3.17Å; E944-R1044 VanDerWaalsContact CD-NH2 3.32Å; E944-R1044 IonicContact OE1-CZ 3.51Å; E944-R1044 IonicContact OE1-NH1 3.32Å; E944-R1044 PolarHBondContact OE1-NH1 3.12Å; E944-R1044 IonicContact OE1-NH2 2.9Å; E944-R1044 PolarHBondContact OE1-NH2 2.77Å; E944-W1050 HydrophobicContact CB-CZ2 4.04Å; E944-W1050 HydrophobicContact CG-CZ2 3.91Å
945	P	92.8	Very high	94.7	Very high	87 Å²	87	50.1 Å²	50.1	57%	0.565	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-68.2	169.1	171.3	30.9	-36.7	0	0	0	111.7	W1050	P945-W1050 WeakPolarHBondContact O-CZ2 3.21Å
946	C	93.8	Very high	94.6	Very high	18 Å²	18	52 Å²	52	12%	0.122	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-53.7	135.5	170.9	-177.6	0	0	0	0	109.6	I922 C923 C937 E948	I922-C946 HydrophobicContact CB-CB 4.3Å; I922-C946 HydrophobicContact CG2-CB 3.84Å; C923-C946 HydrophobicContact CB-CB 4.16Å; C937-C946 HydrophobicContact CB-CB 4.41Å; C946-E948 PolarHBondContact O-N 3.46Å
947	P	95.8	Very high	94.6	Very high	15 Å²	15	52.5 Å²	52.5	10%	0.097	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.3	131.1	179.3	24.8	-32.6	0	0	0	110.7	Y950 L1042 W1050 F1110	P947-Y950 HydrophobicContact CB-CE1 4.41Å; P947-Y950 WeakPolarHBondContact O-CE1 3.31Å; P947-L1042 HydrophobicContact CG-CD2 3.92Å; P947-W1050 HydrophobicContact CG-CD2 4.34Å; P947-W1050 HydrophobicContact CG-CG 4.4Å; P947-F1110 HydrophobicContact CB-CE1 4.06Å; P947-F1110 HydrophobicContact CB-CZ 4.08Å; P947-F1110 HydrophobicContact CG-CE1 3.6Å; P947-F1110 HydrophobicContact CG-CZ 3.54Å
948	E	94.5	Very high	94.5	Very high	171 Å²	171	55.9 Å²	55.9	80%	0.799	32%	0.317	S	S	*	.			trans	-130.5	8.2	178.6	-65.5	-169.6	154.8	0	0	112.4	C946 Y950	C946-E948 PolarHBondContact O-N 3.46Å; E948-Y950 PolarHBondContact O-N 3.25Å
949	D	95.7	Very high	94.4	Very high	86 Å²	86	59.7 Å²	59.7	46%	0.46	34%	0.341	S	S	.	.	S	Bend	trans	-78.5	20.2	179.5	76.9	-55.8	0	0	0	113.8	R1102	D949-R1102 PolarHBondContact O-NH1 3.4Å; D949-R1102 IonicContact OD2-CZ 3.2Å; D949-R1102 VanDerWaalsContact OD2-CZ 3.26Å; D949-R1102 IonicContact OD2-NH1 2.75Å; D949-R1102 PolarHBondContact OD2-NH1 2.96Å; D949-R1102 IonicContact OD2-NH2 2.71Å; D949-R1102 PolarHBondContact OD2-NH2 2.82Å
950	Y	97.9	Very high	94.3	Very high	28 Å²	28	62.1 Å²	62.1	11%	0.11	36%	0.358	C	S	.	.	S	Bend	trans	-155.6	164.1	-177.8	81.1	-69.2	0	0	0	109.9	P947 E948 Y952 Y1103 F1110	P947-Y950 HydrophobicContact CB-CE1 4.41Å; P947-Y950 WeakPolarHBondContact O-CE1 3.31Å; E948-Y950 PolarHBondContact O-N 3.25Å; Y950-Y952 HydrophobicContact CE2-CD2 4.19Å; Y950-Y1103 CarbonylContact C-O 3.59Å; Y950-F1110 HydrophobicContact CD1-CZ 4.11Å; Y950-F1110 AromaticContact CE1-CE2 3.99Å; Y950-F1110 HydrophobicContact CE1-CE2 3.99Å; Y950-F1110 AromaticContact CE1-CZ 3.55Å; Y950-F1110 HydrophobicContact CE1-CZ 3.55Å; Y950-F1110 HydrophobicContact CE2-CE2 4.16Å; Y950-F1110 HydrophobicContact CE2-CZ 4.42Å; Y950-F1110 AromaticContact CZ-CE2 3.66Å; Y950-F1110 AromaticContact CZ-CZ 3.74Å
951	K	97.7	Very high	94.4	Very high	111 Å²	111	66 Å²	66	48%	0.483	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.3	175.5	-175.1	64.2	175.5	-174.5	0	111	I953 Y1103 Y1104 G1105	K951-I953 HydrophobicContact CG-CG2 4.47Å; K951-I953 PolarHBondContact O-N 3.21Å; K951-Y1103 PolarHBondContact N-O 3.08Å; K951-Y1104 HydrophobicContact CB-CD1 3.72Å; K951-Y1104 HydrophobicContact CB-CE1 4.09Å; K951-Y1104 HydrophobicContact CG-CD1 4.02Å; K951-Y1104 HydrophobicContact CG-CE1 4.28Å; K951-Y1104 WeakPolarHBondContact O-CA 3.48Å; K951-G1105 PolarHBondContact O-N 3.36Å; K951-G1105 VanDerWaalsContact O-N 3.14Å
952	Y	98.4	Very high	94.4	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	125.3	169.6	-160.9	-71.2	0	0	0	110.8	V926 A927 R928 E931 Y950 G1105 N1106 I1107	V926-Y952 HydrophobicContact CB-CD2 4.45Å; V926-Y952 HydrophobicContact CG2-CD2 4.03Å; V926-Y952 HydrophobicContact CG2-CE2 3.91Å; A927-Y952 HydrophobicContact CB-CD1 4.11Å; A927-Y952 HydrophobicContact CB-CE1 3.65Å; A927-Y952 HydrophobicContact CB-CE2 4.17Å; R928-Y952 PolarHBondContact NH2-O 3.38Å; E931-Y952 HydrophobicContact CG-CE1 4.19Å; E931-Y952 WeakPolarHBondContact CG-OH 3.38Å; E931-Y952 PolarHBondContact OE1-OH 3.44Å; Y950-Y952 HydrophobicContact CE2-CD2 4.19Å; Y952-G1105 VanDerWaalsContact CA-O 3.28Å; Y952-G1105 WeakPolarHBondContact CA-O 3.38Å; Y952-N1106 HydrophobicContact CE1-CB 3.97Å; Y952-N1106 HydrophobicContact CE2-CB 4.29Å; Y952-I1107 HydrophobicContact CE2-CB 4.27Å; Y952-I1107 VanDerWaalsContact CE2-N 3.28Å; Y952-I1107 PolarHBondContact OH-N 3.21Å
953	I	98.3	Very high	94.6	Very high	34 Å²	34	65.6 Å²	65.6	17%	0.174	37%	0.371	C	S	.	.			trans	-131.6	148.6	171.1	47.5	160.5	0	0	0	108.5	K951 E955 C957 V1068 G1105 N1106	K951-I953 HydrophobicContact CG-CG2 4.47Å; K951-I953 PolarHBondContact O-N 3.21Å; I953-E955 WeakPolarHBondContact CD1-O 3.34Å; I953-C957 HydrophobicContact CD1-CB 4.17Å; I953-V1068 HydrophobicContact CD1-CG1 3.96Å; I953-V1068 HydrophobicContact CG1-CG1 4.11Å; I953-G1105 PolarHBondContact N-O 3.34Å; I953-N1106 WeakPolarHBondContact O-CA 3.32Å; I953-N1106 WeakPolarHBondContact O-CB 3.48Å; I953-N1106 PolarHBondContact O-N 2.34Å
954	S	97.4	Very high	94.9	Very high	34 Å²	34	62.4 Å²	62.4	24%	0.238	34%	0.335	C	S	.	.	S	Bend	trans	-100.9	-12.5	-179.8	50.4	0	0	0	0	114.6
955	E	97.4	Very high	95	Very high	106 Å²	106	61.3 Å²	61.3	50%	0.495	33%	0.332	S	S	.	.	S	Bend	trans	-134.3	154.4	172	-62.9	-154.4	111.1	0	0	110.7	I953 V1068 R1135	I953-E955 WeakPolarHBondContact CD1-O 3.34Å; E955-V1068 VanDerWaalsContact C-CG1 3.41Å; E955-R1135 IonicContact OE1-CZ 3.89Å; E955-R1135 IonicContact OE1-NH1 2.74Å; E955-R1135 PolarHBondContact OE1-NH1 3.33Å; E955-R1135 IonicContact OE1-NH2 3.28Å; E955-R1135 PolarHBondContact OE1-NH2 3.47Å; E955-R1135 VanDerWaalsContact OE1-NH2 3.16Å
956	N	97.8	Very high	95.1	Very high	38 Å²	38	64.5 Å²	64.5	20%	0.203	33%	0.333	C	S	.	.			trans	-59.7	143.3	-175.9	-70.4	-52.8	0	0	0	113	E1066 V1068 G1069 L1071	N956-E1066 PolarHBondContact ND2-OE1 3.01Å; N956-E1066 VanDerWaalsContact ND2-OE1 3.15Å; N956-V1068 VanDerWaalsContact OD1-CA 3.28Å; N956-V1068 WeakPolarHBondContact OD1-CA 3.38Å; N956-G1069 WeakPolarHBondContact CA-O 3.27Å; N956-G1069 PolarHBondContact OD1-N 3.15Å; N956-G1069 PolarHBondContact OD1-O 2.96Å; N956-L1071 HydrophobicContact CB-CD1 4.29Å; N956-L1071 HydrophobicContact CB-CD2 4.3Å; N956-L1071 HydrophobicContact CB-CG 4.12Å
957	C	96.9	Very high	95.2	Very high	32 Å²	32	66.5 Å²	66.5	22%	0.216	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.2	-179.4	67.6	0	0	0	0	112.9	I953 G1069 L1071	I953-C957 HydrophobicContact CD1-CB 4.17Å; C957-G1069 PolarHBondContact N-O 3.3Å; C957-L1071 PolarHBondContact O-N 3.09Å
958	E	96.1	Very high	95.2	Very high	70 Å²	70	70.2 Å²	70.2	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.5	175.5	-68.3	178.3	-123.2	0	0	108.8	M962 R966 L1071	E958-M962 HydrophobicContact CG-CB 4.19Å; E958-M962 HydrophobicContact CG-CG 3.9Å; E958-M962 WeakPolarHBondContact OE2-CB 2.99Å; E958-M962 PolarHBondContact OE2-N 2.7Å; E958-R966 IonicContact OE1-CZ 2.62Å; E958-R966 IonicContact OE1-NH1 3.01Å; E958-R966 PolarHBondContact OE1-NH1 2.83Å; E958-R966 IonicContact OE1-NH2 3.87Å; E958-R966 PolarHBondContact OE1-NH2 2.97Å; E958-L1071 HydrophobicContact CG-CD1 4.41Å
959	T	93.1	Very high	95.3	Very high	81 Å²	81	67.5 Å²	67.5	50%	0.497	36%	0.356	S	S	.	.	S	Bend	trans	-96.7	-32.2	172	50.3	0	0	0	0	112.2	E1070 Y1104	T959-E1070 WeakPolarHBondContact CB-OE1 3.4Å; T959-E1070 VanDerWaalsContact CG2-CD 3.46Å; T959-E1070 HydrophobicContact CG2-CG 3.8Å; T959-E1070 WeakPolarHBondContact CG2-OE1 3.27Å; T959-E1070 PolarHBondContact OG1-OE1 2.88Å; T959-Y1104 HydrophobicContact CG2-CE2 4.35Å
960	S	92	Very high	95.2	Very high	58 Å²	58	68.8 Å²	68.8	41%	0.406	36%	0.359	S	S	.	.	S	Bend	trans	-118.2	155.9	165.8	62.7	0	0	0	0	109.6	M962	S960-M962 WeakPolarHBondContact O-CE 3.16Å; S960-M962 PolarHBondContact O-N 2.79Å; S960-M962 VanDerWaalsContact O-N 3.11Å; S960-M962 WeakPolarHBondContact OG-CE 3.32Å
961	T	91.1	Very high	95.2	Very high	111 Å²	111	67.9 Å²	67.9	68%	0.681	36%	0.356	S	S	*	.			trans	-70.8	106.9	-171	52.2	0	0	0	0	111.7	N963	T961-N963 VanDerWaalsContact C-N 3.27Å; T961-N963 PolarHBondContact O-N 3.3Å; T961-N963 PolarHBondContact O-ND2 2.88Å
962	M	90	Very high	95.1	Very high	10 Å²	10	67.2 Å²	67.2	5%	0.049	35%	0.354	C	S	.	.			trans	-76.9	-14.5	-179.2	-69.7	-62	113.7	0	0	113.3	E958 S960 I964 L1071 Y1097 F1133	E958-M962 HydrophobicContact CG-CB 4.19Å; E958-M962 HydrophobicContact CG-CG 3.9Å; E958-M962 WeakPolarHBondContact OE2-CB 2.99Å; E958-M962 PolarHBondContact OE2-N 2.7Å; S960-M962 WeakPolarHBondContact O-CE 3.16Å; S960-M962 PolarHBondContact O-N 2.79Å; S960-M962 VanDerWaalsContact O-N 3.11Å; S960-M962 WeakPolarHBondContact OG-CE 3.32Å; M962-I964 VanDerWaalsContact C-N 3.27Å; M962-I964 HydrophobicContact CB-CD1 4.32Å; M962-I964 HydrophobicContact CB-CG1 3.79Å; M962-I964 PolarHBondContact O-N 3.32Å; M962-L1071 WeakPolarHBondContact CE-O 3.24Å; M962-L1071 HydrophobicContact CG-CB 3.86Å; M962-L1071 HydrophobicContact SD-CB 4.37Å; M962-Y1097 HydrophobicContact SD-CD1 3.85Å; M962-Y1097 HydrophobicContact SD-CE1 3.8Å; M962-F1133 HydrophobicContact CB-CE1 3.91Å; M962-F1133 HydrophobicContact CB-CE2 4.38Å; M962-F1133 HydrophobicContact CB-CZ 3.67Å; M962-F1133 HydrophobicContact CG-CE1 4.04Å; M962-F1133 HydrophobicContact CG-CZ 4.25Å; M962-F1133 HydrophobicContact SD-CE1 3.95Å; M962-F1133 HydrophobicContact SD-CZ 4.18Å
963	N	91.3	Very high	95.1	Very high	121 Å²	121	71.2 Å²	71.2	65%	0.647	37%	0.373	S	S	*	.			trans	53.6	43.6	-178.8	-59.2	-61.8	0	0	0	112.6	T961 D965 R1132	T961-N963 VanDerWaalsContact C-N 3.27Å; T961-N963 PolarHBondContact O-N 3.3Å; T961-N963 PolarHBondContact O-ND2 2.88Å; N963-D965 PolarHBondContact O-N 2.78Å; N963-R1132 PolarHBondContact O-NH2 3.34Å
964	I	93.7	Very high	95	Very high	13 Å²	13	69.6 Å²	69.6	7%	0.067	36%	0.364	C	S	.	.			trans	-62.9	130.4	177	-46.4	-171.4	0	0	0	109.7	M962 R966 L1071 H1128 D1130 F1133	M962-I964 VanDerWaalsContact C-N 3.27Å; M962-I964 HydrophobicContact CB-CD1 4.32Å; M962-I964 HydrophobicContact CB-CG1 3.79Å; M962-I964 PolarHBondContact O-N 3.32Å; I964-R966 PolarHBondContact O-N 2.69Å; I964-L1071 HydrophobicContact CD1-CD1 3.7Å; I964-H1128 HydrophobicContact CG2-CB 4.39Å; I964-H1128 WeakPolarHBondContact CG2-ND1 3.41Å; I964-D1130 WeakPolarHBondContact CA-OD2 3.22Å; I964-D1130 HydrophobicContact CG2-CB 3.95Å; I964-F1133 HydrophobicContact CB-CD2 4.16Å; I964-F1133 HydrophobicContact CB-CE2 4.43Å; I964-F1133 HydrophobicContact CD1-CB 4.37Å; I964-F1133 HydrophobicContact CD1-CD1 4.34Å; I964-F1133 HydrophobicContact CD1-CD2 4.2Å; I964-F1133 HydrophobicContact CD1-CG 4.04Å; I964-F1133 HydrophobicContact CG1-CD2 3.72Å; I964-F1133 HydrophobicContact CG1-CE2 3.84Å; I964-F1133 HydrophobicContact CG1-CG 4.07Å; I964-F1133 HydrophobicContact CG1-CZ 4.32Å; I964-F1133 HydrophobicContact CG2-CB 4.47Å; I964-F1133 HydrophobicContact CG2-CD2 3.95Å; I964-F1133 HydrophobicContact CG2-CG 4.45Å
965	D	94.2	Very high	95	Very high	62 Å²	62	73.7 Å²	73.7	33%	0.332	39%	0.388	S	S	.	.			trans	-68.7	98.1	176.1	-174.5	10.8	0	0	0	111.8	N963 N967 H970 H1128 D1130	N963-D965 PolarHBondContact O-N 2.78Å; D965-N967 VanDerWaalsContact OD1-CB 3.26Å; D965-N967 WeakPolarHBondContact OD1-CB 3.38Å; D965-N967 PolarHBondContact OD1-N 3.44Å; D965-H970 IonicContact OD1-ND1 2.63Å; D965-H970 PolarHBondContact OD1-ND1 3.38Å; D965-H970 IonicContact OD2-CE1 3.1Å; D965-H970 IonicContact OD2-CG 3.98Å; D965-H970 IonicContact OD2-ND1 2.7Å; D965-H970 PolarHBondContact OD2-ND1 3.42Å; D965-H1128 WeakPolarHBondContact O-CB 3.37Å; D965-D1130 HydrophobicContact CB-CB 4.09Å; D965-D1130 PolarHBondContact N-OD2 2.91Å
966	R	94.8	Very high	95	Very high	153 Å²	153	69 Å²	69	58%	0.577	37%	0.367	S	S	*	.			trans	-100.3	14.7	176.6	-67.2	171.4	170	115.6	-7.9	112.2	E958 I964 I968	E958-R966 IonicContact OE1-CZ 2.62Å; E958-R966 IonicContact OE1-NH1 3.01Å; E958-R966 PolarHBondContact OE1-NH1 2.83Å; E958-R966 IonicContact OE1-NH2 3.87Å; E958-R966 PolarHBondContact OE1-NH2 2.97Å; I964-R966 PolarHBondContact O-N 2.69Å; R966-I968 PolarHBondContact O-N 2.86Å
967	N	95.1	Very high	94.9	Very high	61 Å²	61	74.4 Å²	74.4	33%	0.326	40%	0.401	S	S	.	.			trans	-71.5	114.6	178.7	-177.4	11.7	0	0	0	111.4	D965 T969 H970	D965-N967 VanDerWaalsContact OD1-CB 3.26Å; D965-N967 WeakPolarHBondContact OD1-CB 3.38Å; D965-N967 PolarHBondContact OD1-N 3.44Å; N967-T969 PolarHBondContact ND2-OG1 3.16Å; N967-T969 PolarHBondContact O-N 3Å; N967-T969 VanDerWaalsContact O-N 3.09Å; N967-T969 PolarHBondContact OD1-N 3.41Å; N967-T969 VanDerWaalsContact OD1-N 3.12Å; N967-T969 PolarHBondContact OD1-OG1 3.5Å; N967-H970 PolarHBondContact ND2-CD2 3.46Å; N967-H970 VanDerWaalsContact ND2-CD2 3.31Å; N967-H970 PolarHBondContact ND2-CE1 3.4Å; N967-H970 VanDerWaalsContact ND2-CE1 3.34Å; N967-H970 PolarHBondContact ND2-NE2 3.29Å; N967-H970 PolarHBondContact O-N 3.36Å
968	I	95.3	Very high	94.8	Very high	93 Å²	93	75.4 Å²	75.4	48%	0.477	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-57	-27.1	179.1	-164.1	170	0	0	0	113.3	R966 H970 L971 Q1019 A1020	R966-I968 PolarHBondContact O-N 2.86Å; I968-H970 VanDerWaalsContact C-N 3.28Å; I968-H970 PolarHBondContact O-N 3.08Å; I968-L971 HydrophobicContact CG1-CD1 4.26Å; I968-L971 PolarHBondContact O-N 3.17Å; I968-Q1019 HydrophobicContact CD1-CG 4.15Å; I968-Q1019 HydrophobicContact CG1-CG 4.5Å; I968-A1020 HydrophobicContact CG1-CB 4.35Å
969	T	95.9	Very high	94.8	Very high	113 Å²	113	75.1 Å²	75.1	69%	0.693	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-78.5	-8.9	178.4	74	0	0	0	0	114	N967	N967-T969 PolarHBondContact ND2-OG1 3.16Å; N967-T969 PolarHBondContact O-N 3Å; N967-T969 VanDerWaalsContact O-N 3.09Å; N967-T969 PolarHBondContact OD1-N 3.41Å; N967-T969 VanDerWaalsContact OD1-N 3.12Å; N967-T969 PolarHBondContact OD1-OG1 3.5Å
970	H	95.4	Very high	94.9	Very high	113 Å²	113	71.3 Å²	71.3	52%	0.523	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-93.4	-12.2	173.9	-60	169.3	0	0	0	112.5	D965 N967 I968 Q972	D965-H970 IonicContact OD1-ND1 2.63Å; D965-H970 PolarHBondContact OD1-ND1 3.38Å; D965-H970 IonicContact OD2-CE1 3.1Å; D965-H970 IonicContact OD2-CG 3.98Å; D965-H970 IonicContact OD2-ND1 2.7Å; D965-H970 PolarHBondContact OD2-ND1 3.42Å; N967-H970 PolarHBondContact ND2-CD2 3.46Å; N967-H970 VanDerWaalsContact ND2-CD2 3.31Å; N967-H970 PolarHBondContact ND2-CE1 3.4Å; N967-H970 VanDerWaalsContact ND2-CE1 3.34Å; N967-H970 PolarHBondContact ND2-NE2 3.29Å; N967-H970 PolarHBondContact O-N 3.36Å; I968-H970 VanDerWaalsContact C-N 3.28Å; I968-H970 PolarHBondContact O-N 3.08Å; H970-Q972 PolarHBondContact O-N 3.1Å
971	L	96.2	Very high	95	Very high	10 Å²	10	72.5 Å²	72.5	5%	0.052	39%	0.39	C	S	.	.			trans	-67.4	116.4	176.6	-70.7	177.2	0	0	0	111.5	I968 H973 N1018 Q1019 A1020 Q1129	I968-L971 HydrophobicContact CG1-CD1 4.26Å; I968-L971 PolarHBondContact O-N 3.17Å; L971-H973 PolarHBondContact O-ND1 3.05Å; L971-N1018 HydrophobicContact CD1-CB 4.33Å; L971-Q1019 HydrophobicContact CD1-CG 4.27Å; L971-A1020 HydrophobicContact CB-CB 4.12Å; L971-A1020 HydrophobicContact CD1-CB 4.31Å; L971-Q1129 HydrophobicContact CD2-CB 4.25Å; L971-Q1129 HydrophobicContact CD2-CG 3.81Å
972	Q	96.7	Very high	95.1	Very high	97 Å²	97	69.2 Å²	69.2	45%	0.453	37%	0.372	S	S	.	.			trans	-70.2	129.3	164.1	-61.4	-177.8	87.3	0	0	108.9	H970 L990 N1018 Q1129	H970-Q972 PolarHBondContact O-N 3.1Å; Q972-L990 HydrophobicContact CB-CD1 3.77Å; Q972-N1018 PolarHBondContact O-ND2 2.84Å; Q972-Q1129 PolarHBondContact O-NE2 3.28Å
973	H	97.8	Very high	95.2	Very high	85 Å²	85	73.6 Å²	73.6	39%	0.394	40%	0.403	S	S	.	.			trans	-144.5	147.4	-165.8	58.2	-91.2	0	0	0	112	L971 L986 A1020 C1021	L971-H973 PolarHBondContact O-ND1 3.05Å; H973-L986 WeakPolarHBondContact O-CD2 3.24Å; H973-A1020 HydrophobicContact CB-CB 3.79Å; H973-A1020 PolarHBondContact CD2-O 3.24Å; H973-C1021 HydrophobicContact CB-CB 4.43Å
974	C	97.3	Very high	95.4	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.403	C	S	.	.			trans	-87.7	143.1	-179.9	65.5	0	0	0	0	112.4	C976 L986 C987 C1017 C1021 S1022 C1023	C974-C976 HydrophobicContact CB-CB 4.31Å; C974-C976 PolarHBondContact O-N 2.8Å; C974-L986 HydrophobicContact CB-CB 4.24Å; C974-C987 PolarHBondContact N-SG 3.4Å; C974-C1017 VanDerWaalsContact SG-SG 3.6Å; C974-C1021 PolarHBondContact N-SG 3.46Å; C974-C1021 VanDerWaalsContact N-SG 3.44Å; C974-S1022 PolarHBondContact O-N 2.99Å; C974-S1022 PolarHBondContact O-OG 3.44Å; C974-C1023 VanDerWaalsContact SG-SG 3.69Å
975	T	97.5	Very high	95.5	Very high	121 Å²	121	73 Å²	73	74%	0.742	40%	0.4	S	S	*	.			trans	-89.5	36.8	169.3	62.6	0	0	0	0	111.3	S1022	T975-S1022 VanDerWaalsContact CA-OG 3.23Å; T975-S1022 WeakPolarHBondContact CA-OG 3.24Å
976	C	96.9	Very high	95.6	Very high	8 Å²	8	73.1 Å²	73.1	5%	0.054	40%	0.401	C	S	.	.			trans	-71	135.7	-179.4	-88.3	0	0	0	0	111.5	C974 D978 C980 C985 S1022 C1023	C974-C976 HydrophobicContact CB-CB 4.31Å; C974-C976 PolarHBondContact O-N 2.8Å; C976-D978 WeakPolarHBondContact CB-OD1 3.47Å; C976-D978 PolarHBondContact SG-OD1 3.43Å; C976-C980 WeakPolarHBondContact CB-SG 3.43Å; C976-C985 VanDerWaalsContact SG-CA 3.57Å; C976-C985 VanDerWaalsContact SG-CB 3.6Å; C976-S1022 PolarHBondContact N-OG 3.19Å; C976-S1022 VanDerWaalsContact N-OG 3.13Å; C976-S1022 CarbonylContact O-C 3.56Å; C976-S1022 PolarHBondContact O-OG 2.83Å; C976-C1023 HydrophobicContact CB-CB 3.95Å; C976-C1023 PolarHBondContact O-N 2.94Å
977	V	95.2	Very high	95.7	Very high	151 Å²	151	65.8 Å²	65.8	92%	0.915	37%	0.373	S	S	*	.	S	Bend	trans	-113.6	4.2	170	-61.8	0	0	0	0	112
978	D	94.6	Very high	95.7	Very high	53 Å²	53	63 Å²	63	28%	0.283	36%	0.359	S	S	.	.	S	Bend	trans	-102.3	-172.4	172.9	64.7	-11.8	0	0	0	110.6	C976 C980 S982	C976-D978 WeakPolarHBondContact CB-OD1 3.47Å; C976-D978 PolarHBondContact SG-OD1 3.43Å; D978-C980 PolarHBondContact O-N 3.16Å; D978-C980 VanDerWaalsContact O-N 3.15Å; D978-C980 WeakPolarHBondContact OD1-CA 3.25Å; D978-C980 PolarHBondContact OD1-N 2.95Å; D978-C980 VanDerWaalsContact OD1-N 3.08Å; D978-S982 WeakPolarHBondContact OD2-CB 3.44Å; D978-S982 PolarHBondContact OD2-N 2.96Å; D978-S982 PolarHBondContact OD2-OG 3.38Å
979	D	96	Very high	95.7	Very high	64 Å²	64	63.4 Å²	63.4	34%	0.342	36%	0.359	S	S	.	.	S	Bend	trans	-77.8	19.2	172.6	74.6	-24.5	0	0	0	113.4	S981 C1027 K1028	D979-S981 PolarHBondContact O-N 3.43Å; D979-S981 WeakPolarHBondContact OD1-CB 3.33Å; D979-S981 PolarHBondContact OD1-N 3.39Å; D979-S981 PolarHBondContact OD1-OG 3.21Å; D979-C1027 CarbonylContact O-C 3.55Å; D979-C1027 WeakPolarHBondContact O-CB 3.36Å; D979-K1028 HydrophobicContact CB-CG 4.36Å; D979-K1028 PolarHBondContact O-N 3.29Å; D979-K1028 WeakPolarHBondContact OD2-CE 3.24Å; D979-K1028 VanDerWaalsContact OD2-CG 3.28Å; D979-K1028 WeakPolarHBondContact OD2-CG 3.39Å
980	C	96.4	Very high	95.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	61.3	19	-174.1	-61.2	0	0	0	0	115.4	C976 D978 C985 C1017 C1023 C1027 N1029	C976-C980 WeakPolarHBondContact CB-SG 3.43Å; D978-C980 PolarHBondContact O-N 3.16Å; D978-C980 VanDerWaalsContact O-N 3.15Å; D978-C980 WeakPolarHBondContact OD1-CA 3.25Å; D978-C980 PolarHBondContact OD1-N 2.95Å; D978-C980 VanDerWaalsContact OD1-N 3.08Å; C980-C985 HydrophobicContact CB-CB 4.3Å; C980-C1017 VanDerWaalsContact SG-SG 3.66Å; C980-C1023 WeakPolarHBondContact SG-CB 3.4Å; C980-C1023 PolarHBondContact SG-SG 2.97Å; C980-C1027 HydrophobicContact CB-CB 4.12Å; C980-N1029 HydrophobicContact CB-CB 4.3Å
981	S	94.4	Very high	95.6	Very high	84 Å²	84	55 Å²	55	59%	0.587	31%	0.313	S	S	*	.			trans	-76.6	-18.1	171.9	59.7	0	0	0	0	113.9	D979	D979-S981 PolarHBondContact O-N 3.43Å; D979-S981 WeakPolarHBondContact OD1-CB 3.33Å; D979-S981 PolarHBondContact OD1-N 3.39Å; D979-S981 PolarHBondContact OD1-OG 3.21Å
982	S	92.3	Very high	95.4	Very high	42 Å²	42	61.1 Å²	61.1	29%	0.294	34%	0.344	S	S	.	.	S	Bend	trans	-74.6	151	179	66.9	0	0	0	0	113.8	D978 N984 C985	D978-S982 WeakPolarHBondContact OD2-CB 3.44Å; D978-S982 PolarHBondContact OD2-N 2.96Å; D978-S982 PolarHBondContact OD2-OG 3.38Å; S982-N984 PolarHBondContact O-N 3.04Å; S982-C985 PolarHBondContact O-N 3.47Å; S982-C985 VanDerWaalsContact O-N 3.16Å
983	S	92.6	Very high	95.3	Very high	101 Å²	101	61.6 Å²	61.6	71%	0.706	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-8.7	173	55.7	0	0	0	0	114.6	Q989	S983-Q989 PolarHBondContact O-NE2 3.19Å
984	N	94.4	Very high	95.2	Very high	120 Å²	120	58.7 Å²	58.7	64%	0.642	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.7	-178.5	-60.9	-10.6	0	0	0	112.4	S982 L986	S982-N984 PolarHBondContact O-N 3.04Å; N984-L986 PolarHBondContact O-N 3.01Å; N984-L986 VanDerWaalsContact O-N 3.11Å
985	C	96.7	Very high	95.2	Very high	2 Å²	2	60 Å²	60	1%	0.014	34%	0.336	C	S	.	.			trans	-67.8	106.1	174.9	-172.3	0	0	0	0	110.9	C976 C980 S982 C987 G988 Q989	C976-C985 VanDerWaalsContact SG-CA 3.57Å; C976-C985 VanDerWaalsContact SG-CB 3.6Å; C980-C985 HydrophobicContact CB-CB 4.3Å; S982-C985 PolarHBondContact O-N 3.47Å; S982-C985 VanDerWaalsContact O-N 3.16Å; C985-C987 PolarHBondContact O-N 3.23Å; C985-G988 WeakPolarHBondContact O-CA 3.35Å; C985-G988 PolarHBondContact O-N 2.85Å; C985-Q989 PolarHBondContact O-N 3.46Å
986	L	96.9	Very high	95.2	Very high	64 Å²	64	54.8 Å²	54.8	34%	0.335	30%	0.303	S	S	.	.	H	α-helix	trans	-53	-41.6	179	-178.4	62.7	0	0	0	112.4	H973 C974 N984 G988 Q989 L990	H973-L986 WeakPolarHBondContact O-CD2 3.24Å; C974-L986 HydrophobicContact CB-CB 4.24Å; N984-L986 PolarHBondContact O-N 3.01Å; N984-L986 VanDerWaalsContact O-N 3.11Å; L986-G988 VanDerWaalsContact C-N 3.3Å; L986-G988 PolarHBondContact O-N 3.47Å; L986-Q989 CarbonylContact O-C 3.57Å; L986-Q989 WeakPolarHBondContact O-CA 3.31Å; L986-Q989 WeakPolarHBondContact O-CB 3.45Å; L986-Q989 PolarHBondContact O-N 2.96Å; L986-L990 WeakPolarHBondContact O-CG 3.49Å; L986-L990 PolarHBondContact O-N 2.98Å
987	C	97	Very high	95.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-42.2	178.2	-56.3	0	0	0	0	111.8	C974 C985 L990 N1029	C974-C987 PolarHBondContact N-SG 3.4Å; C985-C987 PolarHBondContact O-N 3.23Å; C987-L990 PolarHBondContact O-N 3.26Å; C987-N1029 WeakPolarHBondContact CB-ND2 3.21Å
988	G	94.6	Very high	95.1	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-66	-35	171.3	0	0	0	0	0	113.2	C985 L986 L990 S991 I992 R993	C985-G988 WeakPolarHBondContact O-CA 3.35Å; C985-G988 PolarHBondContact O-N 2.85Å; L986-G988 VanDerWaalsContact C-N 3.3Å; L986-G988 PolarHBondContact O-N 3.47Å; G988-L990 VanDerWaalsContact C-N 3.34Å; G988-L990 PolarHBondContact O-N 3.12Å; G988-S991 CarbonylContact O-C 3.58Å; G988-S991 PolarHBondContact O-N 2.83Å; G988-S991 PolarHBondContact O-OG 3.36Å; G988-S991 VanDerWaalsContact O-OG 3.04Å; G988-I992 CarbonylContact O-C 3.59Å; G988-I992 VanDerWaalsContact O-C 3.27Å; G988-I992 PolarHBondContact O-N 2.68Å; G988-R993 CarbonylContact O-C 3.58Å; G988-R993 WeakPolarHBondContact O-CA 3.26Å; G988-R993 PolarHBondContact O-N 2.86Å; G988-R993 VanDerWaalsContact O-O 3.11Å
989	Q	95.4	Very high	95.1	Very high	100 Å²	100	57.7 Å²	57.7	47%	0.467	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-31.4	176.5	-65.3	174.4	0.8	0	0	112.8	S983 C985 L986 S991 I992	S983-Q989 PolarHBondContact O-NE2 3.19Å; C985-Q989 PolarHBondContact O-N 3.46Å; L986-Q989 CarbonylContact O-C 3.57Å; L986-Q989 WeakPolarHBondContact O-CA 3.31Å; L986-Q989 WeakPolarHBondContact O-CB 3.45Å; L986-Q989 PolarHBondContact O-N 2.96Å; Q989-S991 PolarHBondContact O-N 3.32Å; Q989-I992 WeakPolarHBondContact O-CA 3.3Å; Q989-I992 PolarHBondContact O-N 2.91Å
990	L	95.4	Very high	95.1	Very high	48 Å²	48	55.5 Å²	55.5	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-33.5	172.3	-61.8	174.4	0	0	0	111.8	Q972 L986 C987 G988 I992 F1015	Q972-L990 HydrophobicContact CB-CD1 3.77Å; L986-L990 WeakPolarHBondContact O-CG 3.49Å; L986-L990 PolarHBondContact O-N 2.98Å; C987-L990 PolarHBondContact O-N 3.26Å; G988-L990 VanDerWaalsContact C-N 3.34Å; G988-L990 PolarHBondContact O-N 3.12Å; L990-I992 VanDerWaalsContact C-N 3.32Å; L990-F1015 HydrophobicContact CB-CB 3.91Å; L990-F1015 HydrophobicContact CB-CD1 4.47Å; L990-F1015 HydrophobicContact CB-CD2 3.49Å; L990-F1015 VanDerWaalsContact CB-CD2 3.49Å; L990-F1015 HydrophobicContact CB-CE2 4.11Å; L990-F1015 HydrophobicContact CB-CG 3.7Å; L990-F1015 HydrophobicContact CD1-CB 3.98Å; L990-F1015 HydrophobicContact CD1-CD1 4.01Å; L990-F1015 HydrophobicContact CD1-CD2 4.49Å; L990-F1015 HydrophobicContact CD1-CG 3.91Å; L990-F1015 HydrophobicContact CG-CG 4.47Å
991	S	92.7	Very high	95.1	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.014	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	24.2	170.8	60.2	0	0	0	0	113.4	G988 Q989 R993 W995 L1013	G988-S991 CarbonylContact O-C 3.58Å; G988-S991 PolarHBondContact O-N 2.83Å; G988-S991 PolarHBondContact O-OG 3.36Å; G988-S991 VanDerWaalsContact O-OG 3.04Å; Q989-S991 PolarHBondContact O-N 3.32Å; S991-R993 PolarHBondContact O-N 3.16Å; S991-R993 PolarHBondContact OG-O 3.33Å; S991-W995 PolarHBondContact O-NE1 3.22Å; S991-L1013 WeakPolarHBondContact CA-O 3.46Å; S991-L1013 WeakPolarHBondContact CB-O 3.38Å
992	I	93.5	Very high	95.3	Very high	138 Å²	138	55.3 Å²	55.3	71%	0.708	29%	0.286	S	S	*	.	S	Bend	trans	69.3	-49.5	-170.4	-49.5	170	0	0	0	112.8	G988 Q989 L990	G988-I992 CarbonylContact O-C 3.59Å; G988-I992 VanDerWaalsContact O-C 3.27Å; G988-I992 PolarHBondContact O-N 2.68Å; Q989-I992 WeakPolarHBondContact O-CA 3.3Å; Q989-I992 PolarHBondContact O-N 2.91Å; L990-I992 VanDerWaalsContact C-N 3.32Å
993	R	94	Very high	95.5	Very high	107 Å²	107	54.9 Å²	54.9	40%	0.404	28%	0.28	S	S	.	.	S	Bend	trans	-147.5	165.5	169.4	61.6	-173.2	-68	-168.1	-4.8	109.8	G988 S991 W995 L1003 E1005	G988-R993 CarbonylContact O-C 3.58Å; G988-R993 WeakPolarHBondContact O-CA 3.26Å; G988-R993 PolarHBondContact O-N 2.86Å; G988-R993 VanDerWaalsContact O-O 3.11Å; S991-R993 PolarHBondContact O-N 3.16Å; S991-R993 PolarHBondContact OG-O 3.33Å; R993-W995 HydrophobicContact CG-CD2 4Å; R993-W995 HydrophobicContact CG-CE3 4.3Å; R993-W995 HydrophobicContact CG-CH2 4.33Å; R993-W995 HydrophobicContact CG-CZ2 3.99Å; R993-W995 HydrophobicContact CG-CZ3 4.46Å; R993-W995 VanDerWaalsContact O-CD1 3.23Å; R993-W995 PolarHBondContact O-N 3Å; R993-W995 PolarHBondContact O-NE1 3.35Å; R993-L1003 VanDerWaalsContact CZ-CD1 3.46Å; R993-E1005 IonicContact CZ-OE1 2.79Å; R993-E1005 IonicContact NH1-OE1 3.88Å; R993-E1005 PolarHBondContact NH1-OE1 3.36Å; R993-E1005 IonicContact NH2-OE1 3.56Å; R993-E1005 PolarHBondContact NH2-OE1 3.1Å
994	C	95.7	Very high	95.5	Very high	25 Å²	25	56.6 Å²	56.6	17%	0.169	28%	0.277	C	S	.	.			trans	-62.3	124.9	160.3	-172.6	0	0	0	0	108.2
995	W	97.1	Very high	95.5	Very high	26 Å²	26	55.9 Å²	55.9	10%	0.098	27%	0.269	C	S	.	.			trans	-94.1	-3.7	-178.4	-72.2	104.2	0	0	0	113.8	S991 R993 L1002 L1003 E1005 F1006 P1012	S991-W995 PolarHBondContact O-NE1 3.22Å; R993-W995 HydrophobicContact CG-CD2 4Å; R993-W995 HydrophobicContact CG-CE3 4.3Å; R993-W995 HydrophobicContact CG-CH2 4.33Å; R993-W995 HydrophobicContact CG-CZ2 3.99Å; R993-W995 HydrophobicContact CG-CZ3 4.46Å; R993-W995 VanDerWaalsContact O-CD1 3.23Å; R993-W995 PolarHBondContact O-N 3Å; R993-W995 PolarHBondContact O-NE1 3.35Å; W995-L1002 HydrophobicContact CB-CD2 4.15Å; W995-L1002 CarbonylContact O-C 3.6Å; W995-L1002 WeakPolarHBondContact O-CA 3.42Å; W995-L1003 HydrophobicContact CE3-CB 4.43Å; W995-L1003 HydrophobicContact CE3-CD1 4.28Å; W995-L1003 WeakPolarHBondContact O-CG 3.31Å; W995-L1003 PolarHBondContact O-N 3.24Å; W995-E1005 HydrophobicContact CZ3-CG 3.95Å; W995-F1006 HydrophobicContact CB-CD2 3.88Å; W995-F1006 HydrophobicContact CB-CE2 4.13Å; W995-F1006 AromaticContact CD2-CD2 3.62Å; W995-F1006 HydrophobicContact CD2-CD2 3.62Å; W995-F1006 HydrophobicContact CD2-CE2 4.19Å; W995-F1006 HydrophobicContact CE3-CB 4.08Å; W995-F1006 AromaticContact CE3-CD2 3.68Å; W995-F1006 HydrophobicContact CE3-CD2 3.68Å; W995-F1006 HydrophobicContact CE3-CG 4.35Å; W995-F1006 AromaticContact CG-CD2 3.71Å; W995-F1006 HydrophobicContact CG-CD2 3.71Å; W995-F1006 AromaticContact CG-CE2 3.93Å; W995-F1006 HydrophobicContact CG-CE2 3.93Å; W995-F1006 HydrophobicContact CZ3-CB 4.35Å; W995-F1006 HydrophobicContact CZ3-CD2 4.42Å; W995-P1012 HydrophobicContact CZ2-CG 4.17Å
996	Y	97.5	Very high	95.5	Very high	12 Å²	12	56.2 Å²	56.2	5%	0.047	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-91.4	137.7	178.5	-53.2	-51.8	0	0	0	111.7	R1001 L1002 I1014 E1016 V1031 F1139	Y996-R1001 CarbonylContact C-O 3.53Å; Y996-R1001 WeakPolarHBondContact CA-O 2.97Å; Y996-L1002 HydrophobicContact CD1-CD2 3.96Å; Y996-L1002 HydrophobicContact CE1-CD2 3.83Å; Y996-I1014 HydrophobicContact CE1-CD1 4.29Å; Y996-I1014 HydrophobicContact CE2-CG2 4.26Å; Y996-E1016 HydrophobicContact CE2-CG 4.33Å; Y996-E1016 VanDerWaalsContact CE2-OE1 3.3Å; Y996-E1016 WeakPolarHBondContact CE2-OE1 3.39Å; Y996-E1016 PolarHBondContact OH-OE1 3.07Å; Y996-V1031 HydrophobicContact CD1-CB 4.27Å; Y996-V1031 HydrophobicContact CD1-CG2 3.74Å; Y996-V1031 HydrophobicContact CD2-CB 4.29Å; Y996-V1031 HydrophobicContact CD2-CG2 3.58Å; Y996-V1031 HydrophobicContact CE1-CB 3.93Å; Y996-V1031 HydrophobicContact CE1-CG1 4.41Å; Y996-V1031 HydrophobicContact CE1-CG2 3.93Å; Y996-V1031 HydrophobicContact CE2-CB 3.92Å; Y996-V1031 HydrophobicContact CE2-CG2 3.74Å; Y996-V1031 HydrophobicContact CG-CB 4.42Å; Y996-V1031 HydrophobicContact CG-CG2 3.55Å; Y996-F1139 AromaticContact CE1-CE1 3.83Å; Y996-F1139 HydrophobicContact CE1-CE1 3.83Å; Y996-F1139 AromaticContact CE1-CZ 3.78Å; Y996-F1139 HydrophobicContact CE1-CZ 3.78Å
997	D	94.9	Very high	95.3	Very high	41 Å²	41	56.4 Å²	56.4	22%	0.219	27%	0.272	C	S	.	.			trans	-75.7	-178.7	168	81.6	-6.4	0	0	0	111.7	D999 G1000 R1001 L1003	D997-D999 PolarHBondContact O-N 2.73Å; D997-D999 WeakPolarHBondContact OD1-CA 3.43Å; D997-D999 WeakPolarHBondContact OD1-CB 3.37Å; D997-D999 PolarHBondContact OD1-N 3.1Å; D997-G1000 PolarHBondContact O-N 2.95Å; D997-G1000 PolarHBondContact OD1-N 3.34Å; D997-R1001 PolarHBondContact N-O 3.44Å; D997-R1001 PolarHBondContact OD1-N 3.25Å; D997-R1001 IonicContact OD2-NH1 3.22Å; D997-L1003 HydrophobicContact CB-CD2 4.27Å
998	K	94.8	Very high	95.1	Very high	148 Å²	148	59.7 Å²	59.7	64%	0.643	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.8	176.7	50.4	147.4	-170.2	136.4	0	114.7	K1028	K998-K1028 PolarHBondContact O-NZ 3.18Å
999	D	95	Very high	95	Very high	84 Å²	84	67 Å²	67	45%	0.449	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-4	-176.8	-60.7	0.2	0	0	0	111.7	D997 R1001	D997-D999 PolarHBondContact O-N 2.73Å; D997-D999 WeakPolarHBondContact OD1-CA 3.43Å; D997-D999 WeakPolarHBondContact OD1-CB 3.37Å; D997-D999 PolarHBondContact OD1-N 3.1Å; D999-R1001 VanDerWaalsContact CB-NH1 3.25Å; D999-R1001 IonicContact OD2-CZ 3.18Å; D999-R1001 IonicContact OD2-NH1 2.83Å; D999-R1001 PolarHBondContact OD2-NH1 3.31Å; D999-R1001 IonicContact OD2-NH2 2.74Å; D999-R1001 PolarHBondContact OD2-NH2 3.44Å
1000	G	95.5	Very high	94.8	Very high	18 Å²	18	69.5 Å²	69.5	19%	0.186	34%	0.335	C	S	.	.	S	Bend	trans	91.4	17.3	-179.6	0	0	0	0	0	115.3	D997 V1031	D997-G1000 PolarHBondContact O-N 2.95Å; D997-G1000 PolarHBondContact OD1-N 3.34Å; G1000-V1031 WeakPolarHBondContact O-CG1 3.29Å
1001	R	97.3	Very high	94.7	Very high	69 Å²	69	69.3 Å²	69.3	26%	0.26	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-99.1	150.1	177.7	-54.1	-172	-161.6	83.9	6.7	112.1	Y996 D997 D999 L1003 G1061 T1062	Y996-R1001 CarbonylContact C-O 3.53Å; Y996-R1001 WeakPolarHBondContact CA-O 2.97Å; D997-R1001 PolarHBondContact N-O 3.44Å; D997-R1001 PolarHBondContact OD1-N 3.25Å; D997-R1001 IonicContact OD2-NH1 3.22Å; D999-R1001 VanDerWaalsContact CB-NH1 3.25Å; D999-R1001 IonicContact OD2-CZ 3.18Å; D999-R1001 IonicContact OD2-NH1 2.83Å; D999-R1001 PolarHBondContact OD2-NH1 3.31Å; D999-R1001 IonicContact OD2-NH2 2.74Å; D999-R1001 PolarHBondContact OD2-NH2 3.44Å; R1001-L1003 PolarHBondContact O-N 3.22Å; R1001-G1061 CarbonylContact C-O 3.55Å; R1001-G1061 WeakPolarHBondContact CA-O 3.32Å; R1001-T1062 WeakPolarHBondContact CD-OG1 3.35Å
1002	L	97.5	Very high	94.8	Very high	12 Å²	12	70.5 Å²	70.5	6%	0.063	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-60.7	132.7	170	-62.2	178.7	0	0	0	111.1	W995 Y996 F1006 I1014 G1061 F1139	W995-L1002 HydrophobicContact CB-CD2 4.15Å; W995-L1002 CarbonylContact O-C 3.6Å; W995-L1002 WeakPolarHBondContact O-CA 3.42Å; Y996-L1002 HydrophobicContact CD1-CD2 3.96Å; Y996-L1002 HydrophobicContact CE1-CD2 3.83Å; L1002-F1006 HydrophobicContact CB-CB 4.27Å; L1002-F1006 HydrophobicContact CB-CD2 4.46Å; L1002-F1006 HydrophobicContact CB-CG 4.26Å; L1002-F1006 HydrophobicContact CD1-CD1 3.86Å; L1002-F1006 HydrophobicContact CD1-CD2 4.26Å; L1002-F1006 HydrophobicContact CD1-CE1 3.82Å; L1002-F1006 HydrophobicContact CD1-CE2 4.23Å; L1002-F1006 HydrophobicContact CD1-CG 4.07Å; L1002-F1006 HydrophobicContact CD1-CZ 4Å; L1002-F1006 HydrophobicContact CD2-CD2 3.94Å; L1002-F1006 HydrophobicContact CD2-CE2 3.89Å; L1002-F1006 HydrophobicContact CD2-CG 4.47Å; L1002-F1006 HydrophobicContact CD2-CZ 4.38Å; L1002-F1006 HydrophobicContact CG-CD2 4.46Å; L1002-I1014 HydrophobicContact CD2-CD1 3.99Å; L1002-G1061 PolarHBondContact N-O 2.96Å; L1002-F1139 HydrophobicContact CD1-CB 3.56Å; L1002-F1139 HydrophobicContact CD1-CD1 3.76Å; L1002-F1139 HydrophobicContact CD1-CD2 3.97Å; L1002-F1139 HydrophobicContact CD1-CE1 4.39Å; L1002-F1139 HydrophobicContact CD1-CG 3.5Å; L1002-F1139 HydrophobicContact CD2-CD1 4.27Å; L1002-F1139 HydrophobicContact CD2-CE1 4.12Å; L1002-F1139 HydrophobicContact CD2-CZ 4.36Å; L1002-F1139 HydrophobicContact CG-CB 4.33Å; L1002-F1139 HydrophobicContact CG-CD1 3.65Å; L1002-F1139 HydrophobicContact CG-CE1 3.99Å; L1002-F1139 HydrophobicContact CG-CG 3.96Å
1003	L	96.6	Very high	94.9	Very high	33 Å²	33	67.3 Å²	67.3	17%	0.173	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-56.5	151.6	175	-67.9	169.3	0	0	0	112.5	R993 W995 D997 R1001 E1005 F1006	R993-L1003 VanDerWaalsContact CZ-CD1 3.46Å; W995-L1003 HydrophobicContact CE3-CB 4.43Å; W995-L1003 HydrophobicContact CE3-CD1 4.28Å; W995-L1003 WeakPolarHBondContact O-CG 3.31Å; W995-L1003 PolarHBondContact O-N 3.24Å; D997-L1003 HydrophobicContact CB-CD2 4.27Å; R1001-L1003 PolarHBondContact O-N 3.22Å; L1003-E1005 HydrophobicContact CB-CG 4.17Å; L1003-E1005 PolarHBondContact O-N 3.16Å; L1003-F1006 WeakPolarHBondContact O-CB 3.2Å; L1003-F1006 PolarHBondContact O-N 2.68Å
1004	Q	93.9	Very high	95.1	Very high	136 Å²	136	62.2 Å²	62.2	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-30	-178.2	-167.3	64.5	20.2	0	0	112.5	F1006	Q1004-F1006 VanDerWaalsContact C-N 3.26Å; Q1004-F1006 PolarHBondContact O-N 3.05Å
1005	E	94.2	Very high	95.2	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	4.5	174.6	63.3	-100.4	-134.7	0	0	115.2	R993 W995 L1003	R993-E1005 IonicContact CZ-OE1 2.79Å; R993-E1005 IonicContact NH1-OE1 3.88Å; R993-E1005 PolarHBondContact NH1-OE1 3.36Å; R993-E1005 IonicContact NH2-OE1 3.56Å; R993-E1005 PolarHBondContact NH2-OE1 3.1Å; W995-E1005 HydrophobicContact CZ3-CG 3.95Å; L1003-E1005 HydrophobicContact CB-CG 4.17Å; L1003-E1005 PolarHBondContact O-N 3.16Å
1006	F	95.7	Very high	95.2	Very high	10 Å²	10	60.7 Å²	60.7	4%	0.044	30%	0.3	C	S	.	.			trans	-64.9	134.1	177.1	-173.3	-91.1	0	0	0	111.8	W995 L1002 L1003 Q1004 K1008 P1011 P1012 I1014 I1120 V1122	W995-F1006 HydrophobicContact CB-CD2 3.88Å; W995-F1006 HydrophobicContact CB-CE2 4.13Å; W995-F1006 AromaticContact CD2-CD2 3.62Å; W995-F1006 HydrophobicContact CD2-CD2 3.62Å; W995-F1006 HydrophobicContact CD2-CE2 4.19Å; W995-F1006 HydrophobicContact CE3-CB 4.08Å; W995-F1006 AromaticContact CE3-CD2 3.68Å; W995-F1006 HydrophobicContact CE3-CD2 3.68Å; W995-F1006 HydrophobicContact CE3-CG 4.35Å; W995-F1006 AromaticContact CG-CD2 3.71Å; W995-F1006 HydrophobicContact CG-CD2 3.71Å; W995-F1006 AromaticContact CG-CE2 3.93Å; W995-F1006 HydrophobicContact CG-CE2 3.93Å; W995-F1006 HydrophobicContact CZ3-CB 4.35Å; W995-F1006 HydrophobicContact CZ3-CD2 4.42Å; L1002-F1006 HydrophobicContact CB-CB 4.27Å; L1002-F1006 HydrophobicContact CB-CD2 4.46Å; L1002-F1006 HydrophobicContact CB-CG 4.26Å; L1002-F1006 HydrophobicContact CD1-CD1 3.86Å; L1002-F1006 HydrophobicContact CD1-CD2 4.26Å; L1002-F1006 HydrophobicContact CD1-CE1 3.82Å; L1002-F1006 HydrophobicContact CD1-CE2 4.23Å; L1002-F1006 HydrophobicContact CD1-CG 4.07Å; L1002-F1006 HydrophobicContact CD1-CZ 4Å; L1002-F1006 HydrophobicContact CD2-CD2 3.94Å; L1002-F1006 HydrophobicContact CD2-CE2 3.89Å; L1002-F1006 HydrophobicContact CD2-CG 4.47Å; L1002-F1006 HydrophobicContact CD2-CZ 4.38Å; L1002-F1006 HydrophobicContact CG-CD2 4.46Å; L1003-F1006 WeakPolarHBondContact O-CB 3.2Å; L1003-F1006 PolarHBondContact O-N 2.68Å; Q1004-F1006 VanDerWaalsContact C-N 3.26Å; Q1004-F1006 PolarHBondContact O-N 3.05Å; F1006-K1008 HydrophobicContact CD1-CG 4.49Å; F1006-K1008 PolarHBondContact O-N 3.46Å; F1006-P1011 HydrophobicContact CE1-CB 3.94Å; F1006-P1011 HydrophobicContact CE1-CG 4.34Å; F1006-P1011 HydrophobicContact CZ-CB 3.91Å; F1006-P1012 HydrophobicContact CD2-CG 4.45Å; F1006-P1012 HydrophobicContact CE2-CG 3.8Å; F1006-P1012 HydrophobicContact CZ-CG 4.2Å; F1006-I1014 HydrophobicContact CE2-CD1 4.1Å; F1006-I1014 HydrophobicContact CZ-CD1 4.48Å; F1006-I1120 HydrophobicContact CD1-CD1 4.48Å; F1006-I1120 HydrophobicContact CE1-CD1 4.2Å; F1006-V1122 HydrophobicContact CE1-CG2 4.13Å; F1006-V1122 HydrophobicContact CZ-CG1 4Å; F1006-V1122 HydrophobicContact CZ-CG2 3.98Å
1007	N	93.9	Very high	95.3	Very high	68 Å²	68	60.1 Å²	60.1	36%	0.364	30%	0.298	S	S	.	.			trans	-74	102.1	176.6	-172.8	-0.1	0	0	0	110.7	I1009 E1010 P1011	N1007-I1009 VanDerWaalsContact C-N 3.31Å; N1007-I1009 PolarHBondContact OD1-N 3.37Å; N1007-E1010 WeakPolarHBondContact CB-O 3.27Å; N1007-E1010 VanDerWaalsContact CG-O 3.3Å; N1007-E1010 PolarHBondContact ND2-O 3.18Å; N1007-E1010 VanDerWaalsContact ND2-O 3.07Å; N1007-E1010 CarbonylContact O-C 3.56Å; N1007-E1010 PolarHBondContact OD1-N 3.33Å; N1007-E1010 VanDerWaalsContact OD1-N 3.13Å; N1007-P1011 WeakPolarHBondContact O-CA 3.46Å
1008	K	92.7	Very high	95.4	Very high	68 Å²	68	58.2 Å²	58.2	30%	0.296	29%	0.288	S	S	.	.	S	Bend	trans	-77.5	-13.1	178.9	-57.7	179.4	-171.2	173.8	0	114	F1006 I1120 S1141	F1006-K1008 HydrophobicContact CD1-CG 4.49Å; F1006-K1008 PolarHBondContact O-N 3.46Å; K1008-I1120 HydrophobicContact CB-CD1 3.92Å; K1008-I1120 HydrophobicContact CG-CD1 3.98Å; K1008-S1141 PolarHBondContact NZ-O 3.23Å
1009	I	91.1	Very high	95.5	Very high	157 Å²	157	55.8 Å²	55.8	81%	0.805	28%	0.279	S	S	*	.	S	Bend	trans	-94.4	-45.7	-176.6	-55.7	176.6	0	0	0	110	N1007	N1007-I1009 VanDerWaalsContact C-N 3.31Å; N1007-I1009 PolarHBondContact OD1-N 3.37Å
1010	E	91.6	Very high	95.6	Very high	152 Å²	152	53.1 Å²	53.1	71%	0.71	27%	0.268	S	S	*	.	S	Bend	trans	-124.6	85.3	171.6	-58.4	178.5	146.6	0	0	109.3	N1007	N1007-E1010 WeakPolarHBondContact CB-O 3.27Å; N1007-E1010 VanDerWaalsContact CG-O 3.3Å; N1007-E1010 PolarHBondContact ND2-O 3.18Å; N1007-E1010 VanDerWaalsContact ND2-O 3.07Å; N1007-E1010 CarbonylContact O-C 3.56Å; N1007-E1010 PolarHBondContact OD1-N 3.33Å; N1007-E1010 VanDerWaalsContact OD1-N 3.13Å
1011	P	94.3	Very high	95.6	Very high	44 Å²	44	53 Å²	53	29%	0.286	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-60.4	130	-179	-27.7	37.4	0	0	0	112.8	F1006 N1007 V1122	F1006-P1011 HydrophobicContact CE1-CB 3.94Å; F1006-P1011 HydrophobicContact CE1-CG 4.34Å; F1006-P1011 HydrophobicContact CZ-CB 3.91Å; N1007-P1011 WeakPolarHBondContact O-CA 3.46Å; P1011-V1122 HydrophobicContact CB-CB 4.46Å; P1011-V1122 HydrophobicContact CB-CG1 4.18Å; P1011-V1122 HydrophobicContact CB-CG2 4.06Å; P1011-V1122 HydrophobicContact CG-CG2 4.38Å
1012	P	94.5	Very high	95.6	Very high	27 Å²	27	53 Å²	53	18%	0.175	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-66.2	153.5	170.7	28.7	-34.9	0	0	0	111.1	W995 F1006 I1014	W995-P1012 HydrophobicContact CZ2-CG 4.17Å; F1006-P1012 HydrophobicContact CD2-CG 4.45Å; F1006-P1012 HydrophobicContact CE2-CG 3.8Å; F1006-P1012 HydrophobicContact CZ-CG 4.2Å; P1012-I1014 PolarHBondContact O-N 2.98Å
1013	L	95.6	Very high	95.6	Very high	72 Å²	72	52.8 Å²	52.8	38%	0.377	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-63.6	125.4	169.3	-56.1	180	0	0	0	109.2	S991 F1015 R1123 F1125	S991-L1013 WeakPolarHBondContact CA-O 3.46Å; S991-L1013 WeakPolarHBondContact CB-O 3.38Å; L1013-F1015 HydrophobicContact CB-CD2 4.49Å; L1013-F1015 HydrophobicContact CB-CE2 3.8Å; L1013-F1015 HydrophobicContact CB-CZ 4.46Å; L1013-R1123 HydrophobicContact CD2-CB 3.66Å; L1013-F1125 HydrophobicContact CB-CE2 4.25Å; L1013-F1125 HydrophobicContact CD1-CE2 4.18Å; L1013-F1125 HydrophobicContact CD2-CE2 4.28Å; L1013-F1125 HydrophobicContact CG-CE2 4.46Å
1014	I	97.5	Very high	95.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.3	175.6	-59.5	-177.2	0	0	0	109.4	Y996 L1002 F1006 P1012 E1016 V1122 R1123 V1124 F1125	Y996-I1014 HydrophobicContact CE1-CD1 4.29Å; Y996-I1014 HydrophobicContact CE2-CG2 4.26Å; L1002-I1014 HydrophobicContact CD2-CD1 3.99Å; F1006-I1014 HydrophobicContact CE2-CD1 4.1Å; F1006-I1014 HydrophobicContact CZ-CD1 4.48Å; P1012-I1014 PolarHBondContact O-N 2.98Å; I1014-E1016 HydrophobicContact CG2-CG 4.31Å; I1014-V1122 HydrophobicContact CD1-CG1 3.74Å; I1014-V1122 HydrophobicContact CG1-CG1 3.97Å; I1014-R1123 PolarHBondContact N-O 2.96Å; I1014-V1124 HydrophobicContact CB-CG1 4.27Å; I1014-V1124 HydrophobicContact CB-CG2 4.2Å; I1014-V1124 HydrophobicContact CG2-CG1 4.31Å; I1014-V1124 CarbonylContact O-C 3.21Å; I1014-V1124 WeakPolarHBondContact O-CA 3.41Å; I1014-F1125 PolarHBondContact O-N 3.42Å
1015	F	98.1	Very high	95.8	Very high	18 Å²	18	61.1 Å²	61.1	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	100.2	173.5	-68.7	-94.3	0	0	0	108.7	L990 L1013 N1029 F1125 Q1129 L1131	L990-F1015 HydrophobicContact CB-CB 3.91Å; L990-F1015 HydrophobicContact CB-CD1 4.47Å; L990-F1015 HydrophobicContact CB-CD2 3.49Å; L990-F1015 VanDerWaalsContact CB-CD2 3.49Å; L990-F1015 HydrophobicContact CB-CE2 4.11Å; L990-F1015 HydrophobicContact CB-CG 3.7Å; L990-F1015 HydrophobicContact CD1-CB 3.98Å; L990-F1015 HydrophobicContact CD1-CD1 4.01Å; L990-F1015 HydrophobicContact CD1-CD2 4.49Å; L990-F1015 HydrophobicContact CD1-CG 3.91Å; L990-F1015 HydrophobicContact CG-CG 4.47Å; L1013-F1015 HydrophobicContact CB-CD2 4.49Å; L1013-F1015 HydrophobicContact CB-CE2 3.8Å; L1013-F1015 HydrophobicContact CB-CZ 4.46Å; F1015-N1029 PolarHBondContact O-ND2 3.09Å; F1015-F1125 HydrophobicContact CD1-CB 3.78Å; F1015-F1125 AromaticContact CD1-CD2 3.9Å; F1015-F1125 HydrophobicContact CD1-CD2 3.9Å; F1015-F1125 HydrophobicContact CD1-CG 4.12Å; F1015-F1125 HydrophobicContact CE1-CB 4.02Å; F1015-F1125 AromaticContact CE1-CD2 3.46Å; F1015-F1125 HydrophobicContact CE1-CD2 3.46Å; F1015-F1125 VanDerWaalsContact CE1-CD2 3.46Å; F1015-F1125 HydrophobicContact CE1-CE2 4.15Å; F1015-F1125 AromaticContact CE1-CG 3.85Å; F1015-F1125 HydrophobicContact CE1-CG 3.85Å; F1015-F1125 HydrophobicContact CE2-CD2 4.18Å; F1015-F1125 HydrophobicContact CG-CD2 4.42Å; F1015-F1125 AromaticContact CZ-CD2 3.61Å; F1015-F1125 HydrophobicContact CZ-CD2 3.61Å; F1015-F1125 AromaticContact CZ-CE2 3.94Å; F1015-F1125 HydrophobicContact CZ-CE2 3.94Å; F1015-F1125 HydrophobicContact CZ-CG 4.44Å; F1015-Q1129 HydrophobicContact CD1-CG 4.06Å; F1015-Q1129 HydrophobicContact CE1-CB 4.5Å; F1015-Q1129 HydrophobicContact CE1-CG 4.26Å; F1015-L1131 HydrophobicContact CE1-CD2 4.41Å; F1015-L1131 HydrophobicContact CZ-CD2 4.13Å
1016	E	98.2	Very high	95.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.308	C	S	.	.			trans	-70.1	158.6	175	-61.6	-150.8	146.9	0	0	111.1	Y996 I1014 N1029 R1030 V1031 V1032 Q1033 V1124 F1125 M1126	Y996-E1016 HydrophobicContact CE2-CG 4.33Å; Y996-E1016 VanDerWaalsContact CE2-OE1 3.3Å; Y996-E1016 WeakPolarHBondContact CE2-OE1 3.39Å; Y996-E1016 PolarHBondContact OH-OE1 3.07Å; I1014-E1016 HydrophobicContact CG2-CG 4.31Å; E1016-N1029 WeakPolarHBondContact CA-O 3.26Å; E1016-N1029 WeakPolarHBondContact CB-O 3.4Å; E1016-R1030 WeakPolarHBondContact OE2-CA 3.15Å; E1016-V1031 PolarHBondContact OE1-N 3.14Å; E1016-V1031 PolarHBondContact OE2-N 2.82Å; E1016-V1032 PolarHBondContact OE1-N 2.95Å; E1016-V1032 PolarHBondContact OE2-N 2.83Å; E1016-Q1033 VanDerWaalsContact OE2-CG 3.26Å; E1016-Q1033 WeakPolarHBondContact OE2-CG 3.47Å; E1016-Q1033 PolarHBondContact OE2-N 3.29Å; E1016-Q1033 PolarHBondContact OE2-NE2 3.2Å; E1016-V1124 HydrophobicContact CG-CG1 3.8Å; E1016-F1125 PolarHBondContact N-O 3.23Å; E1016-M1126 HydrophobicContact CB-CG 4.09Å; E1016-M1126 HydrophobicContact CG-CG 4.18Å
1017	C	98	Very high	95.9	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.			trans	-64.7	139.8	170.4	-71.3	0	0	0	0	109.6	C974 C980 C1021 C1023 N1029 R1030 Q1033	C974-C1017 VanDerWaalsContact SG-SG 3.6Å; C980-C1017 VanDerWaalsContact SG-SG 3.66Å; C1017-C1021 HydrophobicContact CB-CB 4.39Å; C1017-C1023 VanDerWaalsContact SG-SG 3.67Å; C1017-N1029 PolarHBondContact N-ND2 2.91Å; C1017-N1029 PolarHBondContact N-O 3.14Å; C1017-R1030 HydrophobicContact CB-CG 4.02Å; C1017-R1030 PolarHBondContact O-NH1 3.22Å; C1017-Q1033 PolarHBondContact O-NE2 2.83Å; C1017-Q1033 PolarHBondContact O-OE1 3.47Å
1018	N	97.3	Very high	96	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.306	C	S	.	.			trans	-119.3	-167.6	-170.7	60.4	41	0	0	0	111.1	L971 Q972 A1020 C1021 R1030 M1126 Q1129	L971-N1018 HydrophobicContact CD1-CB 4.33Å; Q972-N1018 PolarHBondContact O-ND2 2.84Å; N1018-A1020 VanDerWaalsContact C-N 3.34Å; N1018-A1020 PolarHBondContact OD1-N 2.73Å; N1018-C1021 PolarHBondContact N-SG 3.48Å; N1018-C1021 PolarHBondContact OD1-N 2.76Å; N1018-C1021 PolarHBondContact OD1-SG 2.78Å; N1018-R1030 PolarHBondContact O-NH1 3.02Å; N1018-R1030 PolarHBondContact O-NH2 3.02Å; N1018-M1126 WeakPolarHBondContact CB-O 3.49Å; N1018-Q1129 PolarHBondContact ND2-NE2 3.45Å
1019	Q	96.4	Very high	96.2	Very high	97 Å²	97	59.2 Å²	59.2	45%	0.453	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.1	-179	66	-82.7	20.4	0	0	114.6	I968 L971 L1127	I968-Q1019 HydrophobicContact CD1-CG 4.15Å; I968-Q1019 HydrophobicContact CG1-CG 4.5Å; L971-Q1019 HydrophobicContact CD1-CG 4.27Å; Q1019-L1127 PolarHBondContact NE2-O 3Å
1020	A	97	Very high	96.5	Very high	28 Å²	28	52.7 Å²	52.7	23%	0.231	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.1	172.5	0	0	0	0	0	112.9	I968 L971 H973 N1018	I968-A1020 HydrophobicContact CG1-CB 4.35Å; L971-A1020 HydrophobicContact CB-CB 4.12Å; L971-A1020 HydrophobicContact CD1-CB 4.31Å; H973-A1020 HydrophobicContact CB-CB 3.79Å; H973-A1020 PolarHBondContact CD2-O 3.24Å; N1018-A1020 VanDerWaalsContact C-N 3.34Å; N1018-A1020 PolarHBondContact OD1-N 2.73Å
1021	C	97.5	Very high	96.8	Very high	15 Å²	15	46.6 Å²	46.6	10%	0.101	23%	0.23	C	C	.	.	S	Bend	trans	-75.3	144	177.8	-60.5	0	0	0	0	111.8	H973 C974 C1017 N1018 C1023	H973-C1021 HydrophobicContact CB-CB 4.43Å; C974-C1021 PolarHBondContact N-SG 3.46Å; C974-C1021 VanDerWaalsContact N-SG 3.44Å; C1017-C1021 HydrophobicContact CB-CB 4.39Å; N1018-C1021 PolarHBondContact N-SG 3.48Å; N1018-C1021 PolarHBondContact OD1-N 2.76Å; N1018-C1021 PolarHBondContact OD1-SG 2.78Å; C1021-C1023 WeakPolarHBondContact CB-SG 3.44Å; C1021-C1023 PolarHBondContact O-N 3.27Å
1022	S	97	Very high	97	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	22%	0.218	S	C	.	.	S	Bend	trans	-75.7	-7.9	175.1	62.3	0	0	0	0	114.2	C974 T975 C976	C974-S1022 PolarHBondContact O-N 2.99Å; C974-S1022 PolarHBondContact O-OG 3.44Å; T975-S1022 VanDerWaalsContact CA-OG 3.23Å; T975-S1022 WeakPolarHBondContact CA-OG 3.24Å; C976-S1022 PolarHBondContact N-OG 3.19Å; C976-S1022 VanDerWaalsContact N-OG 3.13Å; C976-S1022 CarbonylContact O-C 3.56Å; C976-S1022 PolarHBondContact O-OG 2.83Å
1023	C	97.1	Very high	97.1	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.054	22%	0.216	C	C	.	.	S	Bend	trans	-81.7	149	-178.4	64.3	0	0	0	0	112.6	C974 C976 C980 C1017 C1021 C1027 R1030	C974-C1023 VanDerWaalsContact SG-SG 3.69Å; C976-C1023 HydrophobicContact CB-CB 3.95Å; C976-C1023 PolarHBondContact O-N 2.94Å; C980-C1023 WeakPolarHBondContact SG-CB 3.4Å; C980-C1023 PolarHBondContact SG-SG 2.97Å; C1017-C1023 VanDerWaalsContact SG-SG 3.67Å; C1021-C1023 WeakPolarHBondContact CB-SG 3.44Å; C1021-C1023 PolarHBondContact O-N 3.27Å; C1023-C1027 HydrophobicContact CB-CB 4.18Å; C1023-R1030 PolarHBondContact O-NH2 2.98Å
1024	W	97.1	Very high	97.2	Very high	208 Å²	208	43.3 Å²	43.3	79%	0.788	21%	0.212	S	C	*	.			trans	-66.9	159	-175.6	-70.1	45.7	0	0	0	112.3	N1026 C1027 R1030	W1024-N1026 WeakPolarHBondContact CB-OD1 3.24Å; W1024-N1026 PolarHBondContact O-N 2.91Å; W1024-C1027 WeakPolarHBondContact O-CB 3.47Å; W1024-C1027 PolarHBondContact O-N 2.76Å; W1024-C1027 PolarHBondContact O-SG 3.04Å; W1024-R1030 PolarHBondContact O-NE 2.85Å; W1024-R1030 VanDerWaalsContact O-NE 3.17Å
1025	R	96.7	Very high	97.1	Very high	136 Å²	136	44.5 Å²	44.5	51%	0.513	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.2	-176.5	-176.2	52.8	-176.5	87.1	-5.3	114.6	R1030 Q1033 S1034	R1025-R1030 WeakPolarHBondContact O-CD 3.33Å; R1025-Q1033 PolarHBondContact NH2-O 2.86Å; R1025-S1034 PolarHBondContact NH1-OG 3.39Å
1026	N	95.7	Very high	97.1	Very high	130 Å²	130	43.8 Å²	43.8	70%	0.695	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	12	176.5	66.1	-21.6	0	0	0	114	W1024	W1024-N1026 WeakPolarHBondContact CB-OD1 3.24Å; W1024-N1026 PolarHBondContact O-N 2.91Å
1027	C	96.8	Very high	97.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.034	24%	0.244	C	C	.	.	S	Bend	trans	-65.2	154.8	174.3	75.7	0	0	0	0	111.8	D979 C980 C1023 W1024 N1029 R1030	D979-C1027 CarbonylContact O-C 3.55Å; D979-C1027 WeakPolarHBondContact O-CB 3.36Å; C980-C1027 HydrophobicContact CB-CB 4.12Å; C1023-C1027 HydrophobicContact CB-CB 4.18Å; W1024-C1027 WeakPolarHBondContact O-CB 3.47Å; W1024-C1027 PolarHBondContact O-N 2.76Å; W1024-C1027 PolarHBondContact O-SG 3.04Å; C1027-N1029 VanDerWaalsContact C-N 3.26Å; C1027-N1029 PolarHBondContact O-N 2.91Å; C1027-N1029 VanDerWaalsContact O-N 3.15Å; C1027-R1030 VanDerWaalsContact SG-CD 3.58Å; C1027-R1030 VanDerWaalsContact SG-CG 3.6Å; C1027-R1030 PolarHBondContact SG-NE 3.25Å
1028	K	96.1	Very high	97.1	Very high	76 Å²	76	49.5 Å²	49.5	33%	0.33	25%	0.246	S	C	.	.	S	Bend	trans	-60	-28.9	-171.3	-62.1	-61.7	-177.8	-175.2	0	114.9	D979 K998 R1030	D979-K1028 HydrophobicContact CB-CG 4.36Å; D979-K1028 PolarHBondContact O-N 3.29Å; D979-K1028 WeakPolarHBondContact OD2-CE 3.24Å; D979-K1028 VanDerWaalsContact OD2-CG 3.28Å; D979-K1028 WeakPolarHBondContact OD2-CG 3.39Å; K998-K1028 PolarHBondContact O-NZ 3.18Å; K1028-R1030 PolarHBondContact O-N 3.14Å
1029	N	97.3	Very high	97.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.262	C	S	.	.	S	Bend	trans	-86	49.2	-178.6	-167.1	37.6	0	0	0	112.9	C980 C987 F1015 E1016 C1017 C1027	C980-N1029 HydrophobicContact CB-CB 4.3Å; C987-N1029 WeakPolarHBondContact CB-ND2 3.21Å; F1015-N1029 PolarHBondContact O-ND2 3.09Å; E1016-N1029 WeakPolarHBondContact CA-O 3.26Å; E1016-N1029 WeakPolarHBondContact CB-O 3.4Å; C1017-N1029 PolarHBondContact N-ND2 2.91Å; C1017-N1029 PolarHBondContact N-O 3.14Å; C1027-N1029 VanDerWaalsContact C-N 3.26Å; C1027-N1029 PolarHBondContact O-N 2.91Å; C1027-N1029 VanDerWaalsContact O-N 3.15Å
1030	R	97.6	Very high	97.2	Very high	20 Å²	20	49.1 Å²	49.1	8%	0.075	24%	0.24	C	C	.	.			trans	-149.7	45.9	-174.8	-64.5	-174.4	-177.6	-88.1	1.4	112.4	E1016 C1017 N1018 C1023 W1024 R1025 C1027 K1028 Q1033 S1034	E1016-R1030 WeakPolarHBondContact OE2-CA 3.15Å; C1017-R1030 HydrophobicContact CB-CG 4.02Å; C1017-R1030 PolarHBondContact O-NH1 3.22Å; N1018-R1030 PolarHBondContact O-NH1 3.02Å; N1018-R1030 PolarHBondContact O-NH2 3.02Å; C1023-R1030 PolarHBondContact O-NH2 2.98Å; W1024-R1030 PolarHBondContact O-NE 2.85Å; W1024-R1030 VanDerWaalsContact O-NE 3.17Å; R1025-R1030 WeakPolarHBondContact O-CD 3.33Å; C1027-R1030 VanDerWaalsContact SG-CD 3.58Å; C1027-R1030 VanDerWaalsContact SG-CG 3.6Å; C1027-R1030 PolarHBondContact SG-NE 3.25Å; K1028-R1030 PolarHBondContact O-N 3.14Å; R1030-Q1033 VanDerWaalsContact CB-CD 3.48Å; R1030-Q1033 HydrophobicContact CB-CG 3.74Å; R1030-Q1033 HydrophobicContact CG-CG 4.34Å; R1030-S1034 PolarHBondContact O-OG 3.36Å
1031	V	97.8	Very high	97.3	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.145	23%	0.232	C	C	.	.	S	Bend	trans	-79.1	-56.2	-174.1	175.9	0	0	0	0	111.3	Y996 G1000 E1016 S1034 F1063 F1139	Y996-V1031 HydrophobicContact CD1-CB 4.27Å; Y996-V1031 HydrophobicContact CD1-CG2 3.74Å; Y996-V1031 HydrophobicContact CD2-CB 4.29Å; Y996-V1031 HydrophobicContact CD2-CG2 3.58Å; Y996-V1031 HydrophobicContact CE1-CB 3.93Å; Y996-V1031 HydrophobicContact CE1-CG1 4.41Å; Y996-V1031 HydrophobicContact CE1-CG2 3.93Å; Y996-V1031 HydrophobicContact CE2-CB 3.92Å; Y996-V1031 HydrophobicContact CE2-CG2 3.74Å; Y996-V1031 HydrophobicContact CG-CB 4.42Å; Y996-V1031 HydrophobicContact CG-CG2 3.55Å; G1000-V1031 WeakPolarHBondContact O-CG1 3.29Å; E1016-V1031 PolarHBondContact OE1-N 3.14Å; E1016-V1031 PolarHBondContact OE2-N 2.82Å; V1031-S1034 WeakPolarHBondContact O-CB 3.31Å; V1031-S1034 PolarHBondContact O-N 3.44Å; V1031-S1034 VanDerWaalsContact O-N 3.08Å; V1031-F1063 HydrophobicContact CG1-CB 3.71Å; V1031-F1063 HydrophobicContact CG1-CD1 4.49Å; V1031-F1063 HydrophobicContact CG1-CG 4.32Å; V1031-F1139 HydrophobicContact CG1-CE1 4.47Å
1032	V	97.8	Very high	97.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-67.6	-42.5	-173.7	179.8	0	0	0	0	110.6	E1016 S1034 G1035 F1063 V1124 M1126 A1137 F1139	E1016-V1032 PolarHBondContact OE1-N 2.95Å; E1016-V1032 PolarHBondContact OE2-N 2.83Å; V1032-S1034 PolarHBondContact O-N 3Å; V1032-G1035 PolarHBondContact O-N 2.82Å; V1032-F1063 HydrophobicContact CB-CE2 4.41Å; V1032-F1063 HydrophobicContact CB-CZ 4.38Å; V1032-F1063 HydrophobicContact CG1-CE1 4.48Å; V1032-F1063 HydrophobicContact CG1-CE2 3.94Å; V1032-F1063 HydrophobicContact CG1-CZ 3.83Å; V1032-F1063 HydrophobicContact CG2-CD2 4.02Å; V1032-F1063 HydrophobicContact CG2-CE2 4.06Å; V1032-F1063 HydrophobicContact CG2-CG 4.42Å; V1032-F1063 HydrophobicContact CG2-CZ 4.49Å; V1032-V1124 HydrophobicContact CB-CG1 4.37Å; V1032-V1124 HydrophobicContact CG2-CG1 4.25Å; V1032-V1124 HydrophobicContact CG2-CG2 4.27Å; V1032-M1126 HydrophobicContact CB-CE 4.09Å; V1032-M1126 HydrophobicContact CB-SD 4.02Å; V1032-M1126 HydrophobicContact CG1-CE 3.47Å; V1032-M1126 VanDerWaalsContact CG1-CE 3.47Å; V1032-M1126 HydrophobicContact CG1-SD 3.88Å; V1032-A1137 HydrophobicContact CB-CB 4.42Å; V1032-A1137 HydrophobicContact CG1-CB 3.88Å; V1032-A1137 HydrophobicContact CG2-CB 3.59Å; V1032-F1139 HydrophobicContact CG2-CE2 4.23Å; V1032-F1139 HydrophobicContact CG2-CZ 3.74Å
1033	Q	97.1	Very high	97.3	Very high	28 Å²	28	45.7 Å²	45.7	13%	0.131	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-64.3	-0.9	174.7	72.8	-170.6	-109.1	0	0	114.4	E1016 C1017 R1025 R1030 M1126	E1016-Q1033 VanDerWaalsContact OE2-CG 3.26Å; E1016-Q1033 WeakPolarHBondContact OE2-CG 3.47Å; E1016-Q1033 PolarHBondContact OE2-N 3.29Å; E1016-Q1033 PolarHBondContact OE2-NE2 3.2Å; C1017-Q1033 PolarHBondContact O-NE2 2.83Å; C1017-Q1033 PolarHBondContact O-OE1 3.47Å; R1025-Q1033 PolarHBondContact NH2-O 2.86Å; R1030-Q1033 VanDerWaalsContact CB-CD 3.48Å; R1030-Q1033 HydrophobicContact CB-CG 3.74Å; R1030-Q1033 HydrophobicContact CG-CG 4.34Å; Q1033-M1126 HydrophobicContact CB-CG 4.18Å; Q1033-M1126 HydrophobicContact CB-SD 3.64Å; Q1033-M1126 PolarHBondContact N-SD 3.36Å
1034	S	96.5	Very high	97.3	Very high	42 Å²	42	47 Å²	47	29%	0.294	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-97.7	-2.3	174.2	-60.8	0	0	0	0	112.8	N932 R1025 R1030 V1031 V1032 K1037	N932-S1034 PolarHBondContact ND2-O 3.01Å; R1025-S1034 PolarHBondContact NH1-OG 3.39Å; R1030-S1034 PolarHBondContact O-OG 3.36Å; V1031-S1034 WeakPolarHBondContact O-CB 3.31Å; V1031-S1034 PolarHBondContact O-N 3.44Å; V1031-S1034 VanDerWaalsContact O-N 3.08Å; V1032-S1034 PolarHBondContact O-N 3Å; S1034-K1037 WeakPolarHBondContact O-CE 3.41Å; S1034-K1037 PolarHBondContact O-NZ 3.24Å
1035	G	96.2	Very high	97.3	Very high	24 Å²	24	37.5 Å²	37.5	25%	0.247	18%	0.178	C	C	.	.			trans	73.4	175.4	173.1	0	0	0	0	0	114.8	N932 V1032 K1037	N932-G1035 VanDerWaalsContact ND2-C 3.34Å; V1032-G1035 PolarHBondContact O-N 2.82Å; G1035-K1037 PolarHBondContact O-N 3Å
1036	I	98	Very high	97.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	19%	0.189	C	C	.	.			trans	-54.7	132.2	-176.5	-59.1	-177.6	0	0	0	110.9	E931 N932 V933 I935 V1038 C1065 I1107	E931-I1036 HydrophobicContact CG-CD1 4.32Å; E931-I1036 WeakPolarHBondContact OE2-CD1 3.45Å; E931-I1036 WeakPolarHBondContact OE2-CG1 3.39Å; N932-I1036 WeakPolarHBondContact CB-O 3.39Å; N932-I1036 PolarHBondContact ND2-O 2.79Å; V933-I1036 HydrophobicContact CG2-CG2 3.92Å; I935-I1036 HydrophobicContact CD1-CD1 4.13Å; I1036-V1038 HydrophobicContact CG2-CG2 4.46Å; I1036-C1065 HydrophobicContact CD1-CB 3.64Å; I1036-C1065 HydrophobicContact CG1-CB 3.86Å; I1036-I1107 HydrophobicContact CD1-CG2 3.87Å
1037	K	97.3	Very high	96.9	Very high	114 Å²	114	36.3 Å²	36.3	50%	0.496	19%	0.187	S	C	.	.			trans	-120.7	-24.5	173.6	-56	-59.1	171	-164.1	0	114	N932 S1034 G1035	N932-K1037 PolarHBondContact ND2-NZ 2.99Å; N932-K1037 PolarHBondContact OD1-NZ 2.8Å; S1034-K1037 WeakPolarHBondContact O-CE 3.41Å; S1034-K1037 PolarHBondContact O-NZ 3.24Å; G1035-K1037 PolarHBondContact O-N 3Å
1038	V	97.8	Very high	96.9	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.036	20%	0.198	C	C	.	.	S	Bend	trans	-78.1	143.4	179.7	-68.7	0	0	0	0	111.3	I1036 L1040 I1058 T1062 I1064	I1036-V1038 HydrophobicContact CG2-CG2 4.46Å; V1038-L1040 HydrophobicContact CG2-CD1 4.5Å; V1038-L1040 HydrophobicContact CG2-CD2 3.85Å; V1038-L1040 HydrophobicContact CG2-CG 4.08Å; V1038-L1040 PolarHBondContact O-N 3.5Å; V1038-I1058 HydrophobicContact CB-CD1 3.93Å; V1038-I1058 HydrophobicContact CB-CG1 4.33Å; V1038-I1058 HydrophobicContact CG1-CD1 4Å; V1038-I1058 HydrophobicContact CG1-CG1 4.02Å; V1038-I1058 HydrophobicContact CG1-CG2 4Å; V1038-I1058 HydrophobicContact CG2-CD1 4.12Å; V1038-T1062 HydrophobicContact CG1-CG2 4.1Å; V1038-I1064 HydrophobicContact CG2-CG2 4.21Å
1039	R	98.2	Very high	96.9	Very high	91 Å²	91	36.2 Å²	36.2	34%	0.343	20%	0.196	S	C	.	.			trans	-77.1	110.5	174.6	-59.7	-50.1	-55.8	-119.6	1.5	110.3	P934 L1055 Q1056	P934-R1039 PolarHBondContact O-NH2 3.26Å; R1039-L1055 HydrophobicContact CB-CB 3.89Å; R1039-L1055 PolarHBondContact O-N 3.39Å; R1039-Q1056 HydrophobicContact CB-CG 4.4Å
1040	L	98.4	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	160.8	175	-55.7	-175.7	0	0	0	110.8	I935 V1038 V1052 I1058 I1064 I1107 L1150	I935-L1040 HydrophobicContact CG2-CB 4.39Å; V1038-L1040 HydrophobicContact CG2-CD1 4.5Å; V1038-L1040 HydrophobicContact CG2-CD2 3.85Å; V1038-L1040 HydrophobicContact CG2-CG 4.08Å; V1038-L1040 PolarHBondContact O-N 3.5Å; L1040-V1052 HydrophobicContact CB-CG1 4.01Å; L1040-V1052 HydrophobicContact CD1-CG1 4.21Å; L1040-V1052 HydrophobicContact CG-CG1 4.5Å; L1040-I1058 HydrophobicContact CD2-CD1 4.38Å; L1040-I1064 HydrophobicContact CD1-CG2 4.14Å; L1040-I1064 HydrophobicContact CD2-CG2 4.33Å; L1040-I1107 HydrophobicContact CD1-CG2 4.41Å; L1040-L1150 HydrophobicContact CD1-CD1 4.34Å; L1040-L1150 HydrophobicContact CD2-CD1 3.72Å
1041	Q	98.2	Very high	96.9	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130	173.8	178	175.9	55.7	0	0	110	P936 V938 V1052 R1053 L1055	P936-Q1041 HydrophobicContact CG-CB 4.43Å; P936-Q1041 HydrophobicContact CG-CG 4.22Å; V938-Q1041 HydrophobicContact CG1-CG 4.35Å; V938-Q1041 HydrophobicContact CG2-CG 3.92Å; Q1041-V1052 WeakPolarHBondContact O-CA 3.49Å; Q1041-R1053 HydrophobicContact CB-CG 4.36Å; Q1041-R1053 PolarHBondContact N-O 3.37Å; Q1041-R1053 PolarHBondContact O-N 3.45Å; Q1041-L1055 HydrophobicContact CB-CD1 3.91Å; Q1041-L1055 HydrophobicContact CB-CD2 4.09Å; Q1041-L1055 HydrophobicContact CB-CG 3.78Å
1042	L	98.4	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.7	166.6	-179	65.2	0	0	0	107.8	V926 P936 C937 V938 P947 W1050 V1052 I1107 F1110	V926-L1042 HydrophobicContact CG1-CD2 3.96Å; P936-L1042 PolarHBondContact O-N 2.72Å; C937-L1042 CarbonylContact C-O 3.54Å; C937-L1042 VanDerWaalsContact CA-O 3.28Å; C937-L1042 WeakPolarHBondContact CA-O 3.27Å; C937-L1042 HydrophobicContact CB-CB 4.33Å; C937-L1042 HydrophobicContact CB-CD2 4.15Å; C937-L1042 HydrophobicContact CB-CG 4.49Å; V938-L1042 PolarHBondContact N-O 3.28Å; P947-L1042 HydrophobicContact CG-CD2 3.92Å; L1042-W1050 HydrophobicContact CD1-CB 4.13Å; L1042-W1050 HydrophobicContact CD1-CE3 4.3Å; L1042-W1050 HydrophobicContact CG-CE3 4.01Å; L1042-V1052 HydrophobicContact CD1-CG2 4.48Å; L1042-I1107 HydrophobicContact CB-CD1 4.14Å; L1042-I1107 HydrophobicContact CD1-CD1 4.39Å; L1042-F1110 HydrophobicContact CD1-CB 3.47Å; L1042-F1110 VanDerWaalsContact CD1-CB 3.47Å; L1042-F1110 HydrophobicContact CD1-CD1 3.86Å; L1042-F1110 HydrophobicContact CD1-CD2 3.77Å; L1042-F1110 HydrophobicContact CD1-CE2 4.42Å; L1042-F1110 HydrophobicContact CD1-CG 3.43Å; L1042-F1110 VanDerWaalsContact CD1-CG 3.43Å; L1042-F1110 HydrophobicContact CD2-CD2 4.31Å; L1042-F1110 HydrophobicContact CD2-CE2 4.21Å; L1042-F1110 HydrophobicContact CD2-CZ 4.38Å
1043	Y	97.9	Very high	97	Very high	26 Å²	26	37.3 Å²	37.3	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	155	179.8	77.6	-71.1	0	0	0	112.3	V938 T1045 W1050 G1051 R1053 E1149	V938-Y1043 VanDerWaalsContact O-CA 3.28Å; V938-Y1043 WeakPolarHBondContact O-CA 3.25Å; Y1043-T1045 HydrophobicContact CE1-CG2 4.5Å; Y1043-T1045 HydrophobicContact CE2-CG2 4.01Å; Y1043-T1045 PolarHBondContact O-N 3.14Å; Y1043-W1050 VanDerWaalsContact C-CE3 3.45Å; Y1043-G1051 WeakPolarHBondContact CD1-O 3.28Å; Y1043-G1051 PolarHBondContact N-O 3.44Å; Y1043-G1051 PolarHBondContact O-N 3.45Å; Y1043-R1053 HydrophobicContact CD1-CB 3.87Å; Y1043-R1053 HydrophobicContact CD1-CG 3.51Å; Y1043-R1053 HydrophobicContact CE1-CB 3.5Å; Y1043-R1053 HydrophobicContact CE1-CG 3.69Å; Y1043-R1053 HydrophobicContact CG-CG 4.16Å; Y1043-E1149 HydrophobicContact CE1-CG 4.28Å; Y1043-E1149 VanDerWaalsContact OH-CB 3.26Å; Y1043-E1149 WeakPolarHBondContact OH-CB 3.44Å; Y1043-E1149 WeakPolarHBondContact OH-CG 3.39Å; Y1043-E1149 PolarHBondContact OH-OE2 3.15Å
1044	R	97	Very high	97	Very high	35 Å²	35	36 Å²	36	13%	0.132	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.1	171.9	-163.2	68.1	167.3	-166.8	-11.9	109.6	V938 N939 V941 D942 E944 W1050	V938-R1044 PolarHBondContact O-N 3.43Å; V938-R1044 VanDerWaalsContact O-N 3.09Å; N939-R1044 HydrophobicContact CB-CB 4.15Å; N939-R1044 VanDerWaalsContact OD1-CB 3.26Å; N939-R1044 WeakPolarHBondContact OD1-CB 3.26Å; V941-R1044 HydrophobicContact CB-CB 4.31Å; V941-R1044 HydrophobicContact CB-CG 3.99Å; V941-R1044 HydrophobicContact CG2-CB 4.37Å; V941-R1044 HydrophobicContact CG2-CG 4.45Å; V941-R1044 WeakPolarHBondContact CG2-O 3.38Å; D942-R1044 IonicContact OD1-CZ 3.56Å; D942-R1044 IonicContact OD1-NE 2.74Å; D942-R1044 PolarHBondContact OD1-NE 3.46Å; D942-R1044 IonicContact OD1-NH2 3.85Å; D942-R1044 IonicContact OD2-CZ 3.07Å; D942-R1044 IonicContact OD2-NE 3.26Å; D942-R1044 PolarHBondContact OD2-NE 3.24Å; D942-R1044 IonicContact OD2-NH2 3.3Å; D942-R1044 PolarHBondContact OD2-NH2 2.9Å; E944-R1044 VanDerWaalsContact CD-NH2 3.32Å; E944-R1044 IonicContact OE1-CZ 3.51Å; E944-R1044 IonicContact OE1-NH1 3.32Å; E944-R1044 PolarHBondContact OE1-NH1 3.12Å; E944-R1044 IonicContact OE1-NH2 2.9Å; E944-R1044 PolarHBondContact OE1-NH2 2.77Å; R1044-W1050 HydrophobicContact CB-CE3 4.3Å; R1044-W1050 HydrophobicContact CB-CH2 4.2Å; R1044-W1050 HydrophobicContact CB-CZ3 3.95Å; R1044-W1050 VanDerWaalsContact NH1-NE1 3.15Å
1045	T	95.6	Very high	97.1	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.049	19%	0.194	C	C	.	.			trans	-81	165.3	174.7	74.3	0	0	0	0	110.6	Y1043 K1047 M1048 G1049 E1149	Y1043-T1045 HydrophobicContact CE1-CG2 4.5Å; Y1043-T1045 HydrophobicContact CE2-CG2 4.01Å; Y1043-T1045 PolarHBondContact O-N 3.14Å; T1045-K1047 VanDerWaalsContact C-N 3.32Å; T1045-K1047 PolarHBondContact O-N 3.02Å; T1045-M1048 WeakPolarHBondContact OG1-CA 3.45Å; T1045-M1048 PolarHBondContact OG1-N 3.39Å; T1045-G1049 WeakPolarHBondContact CB-O 3.48Å; T1045-G1049 PolarHBondContact N-O 3.38Å; T1045-G1049 PolarHBondContact OG1-N 3.05Å; T1045-G1049 PolarHBondContact OG1-O 3.12Å; T1045-E1149 WeakPolarHBondContact CG2-OE1 3.43Å
1046	A	92.4	Very high	97.1	Very high	91 Å²	91	39.4 Å²	39.4	75%	0.752	20%	0.197	S	C	*	.	S	Bend	trans	-76.7	-11.6	178.1	0	0	0	0	0	114.9
1047	K	93.3	Very high	97	Very high	150 Å²	150	43.5 Å²	43.5	65%	0.652	22%	0.222	S	C	*	.	S	Bend	trans	-151.7	-19.1	-169.6	-73.8	-168.2	172.2	-168.9	0	116.8	T1045 Q1169	T1045-K1047 VanDerWaalsContact C-N 3.32Å; T1045-K1047 PolarHBondContact O-N 3.02Å; K1047-Q1169 HydrophobicContact CB-CB 4.2Å; K1047-Q1169 HydrophobicContact CB-CG 4.46Å; K1047-Q1169 HydrophobicContact CD-CB 4.31Å
1048	M	95.6	Very high	97.1	Very high	51 Å²	51	38.1 Å²	38.1	25%	0.251	20%	0.199	S	C	.	.	S	Bend	trans	-113.8	14.5	-170.4	-57.9	-173.9	-62.5	0	0	112.1	T1045 N1112 E1149 Q1169	T1045-M1048 WeakPolarHBondContact OG1-CA 3.45Å; T1045-M1048 PolarHBondContact OG1-N 3.39Å; M1048-N1112 HydrophobicContact CE-CB 4.06Å; M1048-N1112 HydrophobicContact SD-CB 4.38Å; M1048-E1149 VanDerWaalsContact CE-OE1 3.31Å; M1048-E1149 WeakPolarHBondContact CE-OE1 3.37Å; M1048-E1149 WeakPolarHBondContact CE-OE2 3.44Å; M1048-Q1169 HydrophobicContact CG-CB 3.93Å; M1048-Q1169 HydrophobicContact SD-CB 4.23Å
1049	G	95.5	Very high	97.1	Very high	28 Å²	28	40.4 Å²	40.4	29%	0.289	21%	0.214	S	C	.	.	S	Bend	trans	73.1	-128.4	-172.6	0	0	0	0	0	110.9	T1045	T1045-G1049 WeakPolarHBondContact CB-O 3.48Å; T1045-G1049 PolarHBondContact N-O 3.38Å; T1045-G1049 PolarHBondContact OG1-N 3.05Å; T1045-G1049 PolarHBondContact OG1-O 3.12Å
1050	W	98.1	Very high	97.1	Very high	29 Å²	29	37.8 Å²	37.8	11%	0.11	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	148.8	175.9	-67.3	104.1	0	0	0	111.7	I922 C937 N939 E944 P945 P947 L1042 Y1043 R1044 F1110 N1112	I922-W1050 HydrophobicContact CD1-CH2 4.28Å; C937-W1050 VanDerWaalsContact SG-CZ3 3.53Å; N939-W1050 HydrophobicContact CB-CH2 4.28Å; E944-W1050 HydrophobicContact CB-CZ2 4.04Å; E944-W1050 HydrophobicContact CG-CZ2 3.91Å; P945-W1050 WeakPolarHBondContact O-CZ2 3.21Å; P947-W1050 HydrophobicContact CG-CD2 4.34Å; P947-W1050 HydrophobicContact CG-CG 4.4Å; L1042-W1050 HydrophobicContact CD1-CB 4.13Å; L1042-W1050 HydrophobicContact CD1-CE3 4.3Å; L1042-W1050 HydrophobicContact CG-CE3 4.01Å; Y1043-W1050 VanDerWaalsContact C-CE3 3.45Å; R1044-W1050 HydrophobicContact CB-CE3 4.3Å; R1044-W1050 HydrophobicContact CB-CH2 4.2Å; R1044-W1050 HydrophobicContact CB-CZ3 3.95Å; R1044-W1050 VanDerWaalsContact NH1-NE1 3.15Å; W1050-F1110 HydrophobicContact CB-CD1 3.78Å; W1050-F1110 HydrophobicContact CB-CE1 4.36Å; W1050-F1110 HydrophobicContact CG-CD1 4.43Å; W1050-N1112 PolarHBondContact O-ND2 3.3Å
1051	G	98.1	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	165.6	178	0	0	0	0	0	111.2	Y1043 F1110 N1112	Y1043-G1051 WeakPolarHBondContact CD1-O 3.28Å; Y1043-G1051 PolarHBondContact N-O 3.44Å; Y1043-G1051 PolarHBondContact O-N 3.45Å; G1051-F1110 CarbonylContact C-O 3.52Å; G1051-F1110 VanDerWaalsContact CA-O 3.31Å; G1051-F1110 WeakPolarHBondContact CA-O 3.23Å; G1051-N1112 WeakPolarHBondContact CA-ND2 3.33Å
1052	V	98.7	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.9	177	-174	0	0	0	0	109.4	L1040 Q1041 L1042 I1107 F1110 I1111 L1150	L1040-V1052 HydrophobicContact CB-CG1 4.01Å; L1040-V1052 HydrophobicContact CD1-CG1 4.21Å; L1040-V1052 HydrophobicContact CG-CG1 4.5Å; Q1041-V1052 WeakPolarHBondContact O-CA 3.49Å; L1042-V1052 HydrophobicContact CD1-CG2 4.48Å; V1052-I1107 HydrophobicContact CG1-CD1 4.34Å; V1052-I1107 HydrophobicContact CG1-CG1 4.05Å; V1052-I1107 HydrophobicContact CG2-CD1 3.67Å; V1052-I1107 HydrophobicContact CG2-CG1 3.87Å; V1052-F1110 HydrophobicContact CG2-CB 3.75Å; V1052-F1110 PolarHBondContact N-O 3.01Å; V1052-I1111 HydrophobicContact CB-CG1 4.05Å; V1052-I1111 HydrophobicContact CG2-CG1 3.84Å; V1052-L1150 HydrophobicContact CG1-CD1 4.02Å; V1052-L1150 PolarHBondContact O-N 3.03Å
1053	R	98.2	Very high	97	Very high	44 Å²	44	39 Å²	39	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.2	175.6	65.3	-172.4	-170.7	-161.5	4.7	112.3	E919 Q1041 Y1043 E1148	E919-R1053 IonicContact OE1-NH2 2.71Å; E919-R1053 PolarHBondContact OE1-NH2 3.02Å; E919-R1053 IonicContact OE2-CZ 2.82Å; E919-R1053 IonicContact OE2-NH1 3.23Å; E919-R1053 PolarHBondContact OE2-NH1 3.08Å; E919-R1053 VanDerWaalsContact OE2-NH1 3.1Å; E919-R1053 IonicContact OE2-NH2 2.69Å; E919-R1053 PolarHBondContact OE2-NH2 3.48Å; Q1041-R1053 HydrophobicContact CB-CG 4.36Å; Q1041-R1053 PolarHBondContact N-O 3.37Å; Q1041-R1053 PolarHBondContact O-N 3.45Å; Y1043-R1053 HydrophobicContact CD1-CB 3.87Å; Y1043-R1053 HydrophobicContact CD1-CG 3.51Å; Y1043-R1053 HydrophobicContact CE1-CB 3.5Å; Y1043-R1053 HydrophobicContact CE1-CG 3.69Å; Y1043-R1053 HydrophobicContact CG-CG 4.16Å; R1053-E1148 WeakPolarHBondContact CA-O 3.19Å; R1053-E1148 WeakPolarHBondContact CB-O 3.33Å
1054	A	98.3	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	128.1	176.3	0	0	0	0	0	111.5	Q1056 I1058 I1144 G1147 E1148	A1054-Q1056 WeakPolarHBondContact CB-O 2.96Å; A1054-Q1056 PolarHBondContact O-N 2.99Å; A1054-I1058 HydrophobicContact CB-CD1 3.69Å; A1054-I1058 HydrophobicContact CB-CG1 4.19Å; A1054-I1144 HydrophobicContact CB-CG2 4.33Å; A1054-G1147 PolarHBondContact O-N 3.14Å; A1054-E1148 PolarHBondContact N-O 3.4Å; A1054-E1148 VanDerWaalsContact N-O 3.15Å
1055	L	97	Very high	97.1	Very high	72 Å²	72	36.1 Å²	36.1	38%	0.377	20%	0.202	S	C	.	.	S	Bend	trans	-85.2	5.6	172.1	-73.1	179.1	0	0	0	113.3	P936 R1039 Q1041	P936-L1055 HydrophobicContact CG-CD1 4.3Å; R1039-L1055 HydrophobicContact CB-CB 3.89Å; R1039-L1055 PolarHBondContact O-N 3.39Å; Q1041-L1055 HydrophobicContact CB-CD1 3.91Å; Q1041-L1055 HydrophobicContact CB-CD2 4.09Å; Q1041-L1055 HydrophobicContact CB-CG 3.78Å
1056	Q	96.2	Very high	97.2	Very high	65 Å²	65	36.2 Å²	36.2	30%	0.304	20%	0.202	S	C	.	.	S	Bend	trans	-147.3	167.6	-179.8	57	169.3	98.3	0	0	109.4	R1039 A1054 I1058 T1146	R1039-Q1056 HydrophobicContact CB-CG 4.4Å; A1054-Q1056 WeakPolarHBondContact CB-O 2.96Å; A1054-Q1056 PolarHBondContact O-N 2.99Å; Q1056-I1058 HydrophobicContact CG-CG1 4.1Å; Q1056-T1146 VanDerWaalsContact C-OG1 3.23Å
1057	T	97.5	Very high	97.5	Very high	89 Å²	89	32.3 Å²	32.3	55%	0.546	17%	0.168	S	C	.	.			trans	-68.2	142.4	160.9	47.6	0	0	0	0	109.8	I1144 T1146	T1057-I1144 WeakPolarHBondContact CA-O 3.27Å; T1057-T1146 PolarHBondContact N-OG1 3.19Å
1058	I	98.1	Very high	97.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-127	109.5	176.7	-52	175.8	0	0	0	108	V1038 L1040 A1054 Q1056 T1062 I1064 I1144	V1038-I1058 HydrophobicContact CB-CD1 3.93Å; V1038-I1058 HydrophobicContact CB-CG1 4.33Å; V1038-I1058 HydrophobicContact CG1-CD1 4Å; V1038-I1058 HydrophobicContact CG1-CG1 4.02Å; V1038-I1058 HydrophobicContact CG1-CG2 4Å; V1038-I1058 HydrophobicContact CG2-CD1 4.12Å; L1040-I1058 HydrophobicContact CD2-CD1 4.38Å; A1054-I1058 HydrophobicContact CB-CD1 3.69Å; A1054-I1058 HydrophobicContact CB-CG1 4.19Å; Q1056-I1058 HydrophobicContact CG-CG1 4.1Å; I1058-T1062 HydrophobicContact CG2-CG2 3.94Å; I1058-I1064 HydrophobicContact CD1-CD1 4.06Å; I1058-I1064 HydrophobicContact CG2-CD1 3.65Å; I1058-I1144 HydrophobicContact CB-CB 4.16Å; I1058-I1144 PolarHBondContact N-O 1.77Å; I1058-I1144 PolarHBondContact O-N 2.89Å
1059	P	98	Very high	97.9	Very high	54 Å²	54	22.8 Å²	22.8	35%	0.351	13%	0.125	S	C	.	.			trans	-62.1	154.6	177.9	-22.6	33.5	0	0	0	112.2	T1062 S1140 D1143	P1059-T1062 VanDerWaalsContact O-CB 3.31Å; P1059-T1062 WeakPolarHBondContact O-CB 3.43Å; P1059-T1062 PolarHBondContact O-N 3.22Å; P1059-T1062 PolarHBondContact O-OG1 3.5Å; P1059-S1140 PolarHBondContact O-OG 3.15Å; P1059-D1143 VanDerWaalsContact CA-OD1 3.28Å; P1059-D1143 WeakPolarHBondContact CA-OD1 3.48Å
1060	Q	97.6	Very high	98	Very high	36 Å²	36	21.7 Å²	21.7	17%	0.168	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	142.9	174.9	-163.8	-153.8	-97.2	0	0	112.4	T1062 S1140 S1141 D1143	Q1060-T1062 PolarHBondContact O-N 3.04Å; Q1060-S1140 WeakPolarHBondContact CA-OG 3.24Å; Q1060-S1141 WeakPolarHBondContact CG-O 3.38Å; Q1060-D1143 PolarHBondContact N-OD1 3.15Å
1061	G	97.3	Very high	97.9	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	2.6	177.7	0	0	0	0	0	114.5	R1001 L1002 F1139 S1140	R1001-G1061 CarbonylContact C-O 3.55Å; R1001-G1061 WeakPolarHBondContact CA-O 3.32Å; L1002-G1061 PolarHBondContact N-O 2.96Å; G1061-F1139 WeakPolarHBondContact O-CD1 3.4Å; G1061-S1140 PolarHBondContact N-O 2.92Å; G1061-S1140 PolarHBondContact N-OG 3.11Å
1062	T	98.3	Very high	97.8	Very high	25 Å²	25	20.9 Å²	20.9	15%	0.153	11%	0.111	C	C	.	.			trans	-74.7	136.2	177.7	-52.8	0	0	0	0	110.2	R1001 V1038 I1058 P1059 Q1060 I1064 F1139 S1140	R1001-T1062 WeakPolarHBondContact CD-OG1 3.35Å; V1038-T1062 HydrophobicContact CG1-CG2 4.1Å; I1058-T1062 HydrophobicContact CG2-CG2 3.94Å; P1059-T1062 VanDerWaalsContact O-CB 3.31Å; P1059-T1062 WeakPolarHBondContact O-CB 3.43Å; P1059-T1062 PolarHBondContact O-N 3.22Å; P1059-T1062 PolarHBondContact O-OG1 3.5Å; Q1060-T1062 PolarHBondContact O-N 3.04Å; T1062-I1064 WeakPolarHBondContact O-CD1 3.44Å; T1062-F1139 WeakPolarHBondContact O-CA 3.34Å; T1062-S1140 PolarHBondContact N-OG 3.48Å; T1062-S1140 PolarHBondContact O-N 2.99Å; T1062-S1140 PolarHBondContact O-OG 3.07Å
1063	F	98.5	Very high	97.6	Very high	13 Å²	13	22.8 Å²	22.8	6%	0.057	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.2	171	174.5	-122.3	0	0	0	110.9	V1031 V1032 C1065 A1137 F1138 F1139	V1031-F1063 HydrophobicContact CG1-CB 3.71Å; V1031-F1063 HydrophobicContact CG1-CD1 4.49Å; V1031-F1063 HydrophobicContact CG1-CG 4.32Å; V1032-F1063 HydrophobicContact CB-CE2 4.41Å; V1032-F1063 HydrophobicContact CB-CZ 4.38Å; V1032-F1063 HydrophobicContact CG1-CE1 4.48Å; V1032-F1063 HydrophobicContact CG1-CE2 3.94Å; V1032-F1063 HydrophobicContact CG1-CZ 3.83Å; V1032-F1063 HydrophobicContact CG2-CD2 4.02Å; V1032-F1063 HydrophobicContact CG2-CE2 4.06Å; V1032-F1063 HydrophobicContact CG2-CG 4.42Å; V1032-F1063 HydrophobicContact CG2-CZ 4.49Å; F1063-C1065 VanDerWaalsContact CE2-C 3.42Å; F1063-C1065 VanDerWaalsContact CE2-O 3.3Å; F1063-C1065 WeakPolarHBondContact CE2-O 3.2Å; F1063-A1137 HydrophobicContact CD2-CB 4.11Å; F1063-A1137 HydrophobicContact CE2-CB 3.76Å; F1063-F1138 WeakPolarHBondContact CD2-O 3.18Å; F1063-F1139 HydrophobicContact CB-CD1 3.95Å; F1063-F1139 HydrophobicContact CB-CE1 3.65Å; F1063-F1139 HydrophobicContact CB-CZ 4.3Å; F1063-F1139 HydrophobicContact CD2-CE1 4.33Å; F1063-F1139 HydrophobicContact CD2-CE2 4.45Å; F1063-F1139 HydrophobicContact CD2-CZ 4.22Å; F1063-F1139 HydrophobicContact CG-CE1 4.41Å
1064	I	98.3	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-67.7	-174.4	-49.5	-59.7	0	0	0	110.2	V1038 L1040 I1058 T1062 I1119 F1138 L1150	V1038-I1064 HydrophobicContact CG2-CG2 4.21Å; L1040-I1064 HydrophobicContact CD1-CG2 4.14Å; L1040-I1064 HydrophobicContact CD2-CG2 4.33Å; I1058-I1064 HydrophobicContact CD1-CD1 4.06Å; I1058-I1064 HydrophobicContact CG2-CD1 3.65Å; T1062-I1064 WeakPolarHBondContact O-CD1 3.44Å; I1064-I1119 HydrophobicContact CG1-CG2 3.88Å; I1064-F1138 HydrophobicContact CB-CB 4.28Å; I1064-F1138 PolarHBondContact N-O 3.27Å; I1064-L1150 HydrophobicContact CG2-CD1 3.71Å
1065	C	98.3	Very high	96.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	166.9	179.7	59.8	0	0	0	0	109.2	I1036 F1063 I1107 F1138	I1036-C1065 HydrophobicContact CD1-CB 3.64Å; I1036-C1065 HydrophobicContact CG1-CB 3.86Å; F1063-C1065 VanDerWaalsContact CE2-C 3.42Å; F1063-C1065 VanDerWaalsContact CE2-O 3.3Å; F1063-C1065 WeakPolarHBondContact CE2-O 3.2Å; C1065-I1107 HydrophobicContact CB-CG2 4.13Å; C1065-F1138 WeakPolarHBondContact O-CB 3.44Å; C1065-F1138 PolarHBondContact O-N 3.1Å
1066	E	98.4	Very high	96.8	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.6	171	-175.2	178.1	152.6	0	0	110	N956 V1068 N1106 R1135 I1136	N956-E1066 PolarHBondContact ND2-OE1 3.01Å; N956-E1066 VanDerWaalsContact ND2-OE1 3.15Å; E1066-V1068 HydrophobicContact CB-CG2 3.9Å; E1066-V1068 HydrophobicContact CG-CG2 3.84Å; E1066-V1068 PolarHBondContact O-N 3.11Å; E1066-N1106 PolarHBondContact O-ND2 3.16Å; E1066-N1106 PolarHBondContact O-OD1 3.43Å; E1066-R1135 VanDerWaalsContact CD-NE 3.26Å; E1066-R1135 VanDerWaalsContact OE1-CB 3.31Å; E1066-R1135 WeakPolarHBondContact OE1-CB 3.44Å; E1066-R1135 VanDerWaalsContact OE1-CG 3.24Å; E1066-R1135 WeakPolarHBondContact OE1-CG 3.49Å; E1066-R1135 IonicContact OE1-CZ 2.65Å; E1066-R1135 IonicContact OE1-NE 3.26Å; E1066-R1135 PolarHBondContact OE1-NE 3.45Å; E1066-R1135 IonicContact OE1-NH2 2.64Å; E1066-R1135 IonicContact OE2-CZ 3.81Å; E1066-R1135 VanDerWaalsContact OE2-CZ 3.23Å; E1066-R1135 IonicContact OE2-NE 3.7Å; E1066-R1135 PolarHBondContact OE2-NE 3.17Å; E1066-R1135 IonicContact OE2-NH2 2.82Å; E1066-R1135 PolarHBondContact OE2-NH2 2.58Å; E1066-I1136 CarbonylContact C-O 3.55Å; E1066-I1136 VanDerWaalsContact CA-O 3.28Å; E1066-I1136 WeakPolarHBondContact CA-O 3.44Å; E1066-I1136 WeakPolarHBondContact CG-O 3.48Å
1067	Y	98.4	Very high	96.7	Very high	10 Å²	10	24.9 Å²	24.9	4%	0.039	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	107.9	164.6	-162	-77.5	0	0	0	108.9	Y1085 F1087 I1099 A1101 S1108 I1136 F1138 F1152	Y1067-Y1085 PolarHBondContact OH-O 3.26Å; Y1067-F1087 HydrophobicContact CD1-CB 3.76Å; Y1067-F1087 HydrophobicContact CD1-CG 4.31Å; Y1067-F1087 HydrophobicContact CD2-CD2 4.01Å; Y1067-F1087 HydrophobicContact CE1-CB 3.61Å; Y1067-F1087 HydrophobicContact CE2-CB 4.4Å; Y1067-F1087 HydrophobicContact CE2-CD2 4.28Å; Y1067-F1087 HydrophobicContact CG-CB 4.23Å; Y1067-F1087 HydrophobicContact CG-CD2 4.15Å; Y1067-F1087 HydrophobicContact CG-CG 4.33Å; Y1067-I1099 HydrophobicContact CD1-CB 4.11Å; Y1067-I1099 HydrophobicContact CD1-CD1 4.43Å; Y1067-I1099 HydrophobicContact CD1-CG2 3.97Å; Y1067-I1099 HydrophobicContact CE1-CB 4.24Å; Y1067-I1099 HydrophobicContact CE1-CG2 4.13Å; Y1067-A1101 HydrophobicContact CE1-CB 3.8Å; Y1067-S1108 WeakPolarHBondContact CA-OG 3.39Å; Y1067-S1108 WeakPolarHBondContact CD2-OG 3.33Å; Y1067-I1136 PolarHBondContact N-O 3.38Å; Y1067-F1138 AromaticContact CD2-CE2 3.8Å; Y1067-F1138 HydrophobicContact CD2-CE2 3.8Å; Y1067-F1138 AromaticContact CD2-CZ 3.91Å; Y1067-F1138 HydrophobicContact CD2-CZ 3.91Å; Y1067-F1138 HydrophobicContact CG-CE2 4.31Å; Y1067-F1152 HydrophobicContact CD2-CZ 4.48Å; Y1067-F1152 HydrophobicContact CE2-CZ 4.21Å
1068	V	98.5	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.16	C	C	.	.			trans	-118.2	136	-173.4	171.2	0	0	0	0	110.9	I953 E955 N956 E1066 G1105 N1106 S1108	I953-V1068 HydrophobicContact CD1-CG1 3.96Å; I953-V1068 HydrophobicContact CG1-CG1 4.11Å; E955-V1068 VanDerWaalsContact C-CG1 3.41Å; N956-V1068 VanDerWaalsContact OD1-CA 3.28Å; N956-V1068 WeakPolarHBondContact OD1-CA 3.38Å; E1066-V1068 HydrophobicContact CB-CG2 3.9Å; E1066-V1068 HydrophobicContact CG-CG2 3.84Å; E1066-V1068 PolarHBondContact O-N 3.11Å; V1068-G1105 WeakPolarHBondContact O-CA 3.18Å; V1068-N1106 HydrophobicContact CB-CB 3.88Å; V1068-N1106 HydrophobicContact CG1-CB 4.33Å; V1068-N1106 HydrophobicContact CG2-CB 4.45Å; V1068-N1106 WeakPolarHBondContact CG2-ND2 3.49Å; V1068-N1106 PolarHBondContact O-N 3.19Å; V1068-S1108 PolarHBondContact N-OG 3.23Å
1069	G	98.1	Very high	96.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.			trans	-170.7	-147	173.9	0	0	0	0	0	114.2	N956 C957 I1099 Y1104	N956-G1069 WeakPolarHBondContact CA-O 3.27Å; N956-G1069 PolarHBondContact OD1-N 3.15Å; N956-G1069 PolarHBondContact OD1-O 2.96Å; C957-G1069 PolarHBondContact N-O 3.3Å; G1069-I1099 VanDerWaalsContact N-CG2 3.28Å; G1069-Y1104 WeakPolarHBondContact CA-O 3.49Å
1070	E	98	Very high	96.1	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.2	178.3	-169.8	-174.9	159.3	0	0	110.8	T959 I1072 R1080 I1099 D1100 Y1104	T959-E1070 WeakPolarHBondContact CB-OE1 3.4Å; T959-E1070 VanDerWaalsContact CG2-CD 3.46Å; T959-E1070 HydrophobicContact CG2-CG 3.8Å; T959-E1070 WeakPolarHBondContact CG2-OE1 3.27Å; T959-E1070 PolarHBondContact OG1-OE1 2.88Å; E1070-I1072 HydrophobicContact CG-CG2 3.96Å; E1070-I1072 PolarHBondContact O-N 3.32Å; E1070-R1080 VanDerWaalsContact CD-NH1 3.27Å; E1070-R1080 IonicContact OE1-CZ 3.87Å; E1070-R1080 IonicContact OE1-NH1 3.81Å; E1070-R1080 PolarHBondContact OE1-NH1 3.41Å; E1070-R1080 IonicContact OE1-NH2 2.97Å; E1070-R1080 PolarHBondContact OE1-NH2 3Å; E1070-R1080 IonicContact OE2-CZ 3.24Å; E1070-R1080 IonicContact OE2-NH1 2.99Å; E1070-R1080 PolarHBondContact OE2-NH1 3.02Å; E1070-R1080 IonicContact OE2-NH2 3.09Å; E1070-I1099 CarbonylContact O-C 3.57Å; E1070-I1099 WeakPolarHBondContact O-CA 3.41Å; E1070-D1100 HydrophobicContact CB-CB 4.44Å; E1070-D1100 WeakPolarHBondContact CB-O 3.45Å; E1070-D1100 PolarHBondContact N-O 3.37Å; E1070-D1100 PolarHBondContact O-N 2.85Å; E1070-Y1104 HydrophobicContact CB-CD2 4.49Å
1071	L	97.2	Very high	95.8	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.068	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.6	175	-61.8	179.3	0	0	0	110.1	N956 C957 E958 M962 I964 L1089 I1099 F1133	N956-L1071 HydrophobicContact CB-CD1 4.29Å; N956-L1071 HydrophobicContact CB-CD2 4.3Å; N956-L1071 HydrophobicContact CB-CG 4.12Å; C957-L1071 PolarHBondContact O-N 3.09Å; E958-L1071 HydrophobicContact CG-CD1 4.41Å; M962-L1071 WeakPolarHBondContact CE-O 3.24Å; M962-L1071 HydrophobicContact CG-CB 3.86Å; M962-L1071 HydrophobicContact SD-CB 4.37Å; I964-L1071 HydrophobicContact CD1-CD1 3.7Å; L1071-L1089 HydrophobicContact CD2-CD1 4.46Å; L1071-I1099 HydrophobicContact CD2-CG1 4Å; L1071-F1133 HydrophobicContact CD1-CD1 4.21Å
1072	I	95.7	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	156.6	-179.3	62.9	173.7	0	0	0	110.9	E1070 E1076 A1077 L1086 Y1097 C1098 D1100	E1070-I1072 HydrophobicContact CG-CG2 3.96Å; E1070-I1072 PolarHBondContact O-N 3.32Å; I1072-E1076 HydrophobicContact CB-CB 4.14Å; I1072-E1076 HydrophobicContact CB-CG 3.73Å; I1072-E1076 HydrophobicContact CD1-CG 4.27Å; I1072-E1076 HydrophobicContact CG2-CG 3.82Å; I1072-A1077 HydrophobicContact CD1-CB 3.84Å; I1072-L1086 HydrophobicContact CD1-CD2 4.06Å; I1072-Y1097 CarbonylContact O-C 3.56Å; I1072-Y1097 VanDerWaalsContact O-CA 3.32Å; I1072-Y1097 WeakPolarHBondContact O-CA 3.45Å; I1072-Y1097 WeakPolarHBondContact O-CB 3.38Å; I1072-C1098 HydrophobicContact CD1-CB 4.47Å; I1072-C1098 HydrophobicContact CG1-CB 4.02Å; I1072-C1098 PolarHBondContact N-O 3.46Å; I1072-C1098 PolarHBondContact O-N 3.16Å; I1072-D1100 HydrophobicContact CD1-CB 3.83Å; I1072-D1100 HydrophobicContact CG1-CB 4.43Å
1073	S	93.8	Very high	95.3	Very high	39 Å²	39	43 Å²	43	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	156.9	170.1	55.1	0	0	0	0	111.7	A1075 E1076 A1077	S1073-A1075 VanDerWaalsContact C-N 3.29Å; S1073-A1075 PolarHBondContact O-N 3.32Å; S1073-E1076 WeakPolarHBondContact O-CA 3.34Å; S1073-E1076 WeakPolarHBondContact O-CB 3.06Å; S1073-E1076 PolarHBondContact O-N 3.11Å; S1073-A1077 PolarHBondContact O-N 3.12Å; S1073-A1077 VanDerWaalsContact O-N 3.07Å
1074	D	90.8	Very high	95.1	Very high	76 Å²	76	44.4 Å²	44.4	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-42.7	-50.3	170.7	-169.4	53.3	0	0	0	113.2	E1076 A1077 D1078 V1096	D1074-E1076 PolarHBondContact O-N 3.29Å; D1074-E1076 VanDerWaalsContact O-N 3.13Å; D1074-A1077 WeakPolarHBondContact O-CB 3.49Å; D1074-A1077 PolarHBondContact O-N 3.47Å; D1074-D1078 PolarHBondContact O-N 2.9Å; D1074-V1096 HydrophobicContact CB-CB 4.21Å; D1074-V1096 WeakPolarHBondContact CB-O 3.31Å; D1074-V1096 PolarHBondContact N-O 3.31Å; D1074-V1096 VanDerWaalsContact N-O 3.14Å
1075	A	91.9	Very high	95	Very high	72 Å²	72	47.3 Å²	47.3	60%	0.595	26%	0.257	S	S	*	.	H	α-helix	trans	-68.7	-7.9	178.2	0	0	0	0	0	116	S1073	S1073-A1075 VanDerWaalsContact C-N 3.29Å; S1073-A1075 PolarHBondContact O-N 3.32Å
1076	E	94.3	Very high	94.9	Very high	65 Å²	65	49.5 Å²	49.5	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-98.3	-30.9	170.5	167.9	64.3	-157.5	0	0	110.4	I1072 S1073 D1074 V1079 R1080	I1072-E1076 HydrophobicContact CB-CB 4.14Å; I1072-E1076 HydrophobicContact CB-CG 3.73Å; I1072-E1076 HydrophobicContact CD1-CG 4.27Å; I1072-E1076 HydrophobicContact CG2-CG 3.82Å; S1073-E1076 WeakPolarHBondContact O-CA 3.34Å; S1073-E1076 WeakPolarHBondContact O-CB 3.06Å; S1073-E1076 PolarHBondContact O-N 3.11Å; D1074-E1076 PolarHBondContact O-N 3.29Å; D1074-E1076 VanDerWaalsContact O-N 3.13Å; E1076-V1079 VanDerWaalsContact O-CG2 3.23Å; E1076-V1079 WeakPolarHBondContact O-CG2 3.46Å; E1076-V1079 PolarHBondContact O-N 3.17Å; E1076-R1080 WeakPolarHBondContact O-CG 3.22Å; E1076-R1080 IonicContact OE1-CZ 3.32Å; E1076-R1080 VanDerWaalsContact OE1-CZ 3.25Å; E1076-R1080 IonicContact OE1-NE 3Å; E1076-R1080 PolarHBondContact OE1-NE 3.38Å; E1076-R1080 IonicContact OE1-NH2 2.71Å; E1076-R1080 PolarHBondContact OE1-NH2 3Å
1077	A	93.2	Very high	94.8	Very high	12 Å²	12	50.4 Å²	50.4	10%	0.099	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-42.4	170.1	0	0	0	0	0	111.3	I1072 S1073 D1074 V1079 R1080 L1086 C1098	I1072-A1077 HydrophobicContact CD1-CB 3.84Å; S1073-A1077 PolarHBondContact O-N 3.12Å; S1073-A1077 VanDerWaalsContact O-N 3.07Å; D1074-A1077 WeakPolarHBondContact O-CB 3.49Å; D1074-A1077 PolarHBondContact O-N 3.47Å; A1077-V1079 PolarHBondContact O-N 2.92Å; A1077-R1080 PolarHBondContact O-N 3.35Å; A1077-R1080 VanDerWaalsContact O-N 3.08Å; A1077-L1086 HydrophobicContact CB-CD1 4.07Å; A1077-L1086 HydrophobicContact CB-CD2 4.35Å; A1077-C1098 HydrophobicContact CB-CB 4.45Å
1078	D	92.4	Very high	94.5	Very high	141 Å²	141	51.9 Å²	51.9	75%	0.754	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.2	178.2	-116.4	4.3	0	0	0	114.6	D1074	D1074-D1078 PolarHBondContact O-N 2.9Å
1079	V	95.1	Very high	94.3	Very high	105 Å²	105	52 Å²	52	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	0.7	-179.6	-60.9	0	0	0	0	114.1	E1076 A1077	E1076-V1079 VanDerWaalsContact O-CG2 3.23Å; E1076-V1079 WeakPolarHBondContact O-CG2 3.46Å; E1076-V1079 PolarHBondContact O-N 3.17Å; A1077-V1079 PolarHBondContact O-N 2.92Å
1080	R	93.6	Very high	93.4	Very high	45 Å²	45	55 Å²	55	17%	0.17	30%	0.298	C	S	.	.			trans	-87.9	134.2	177.8	-73.1	179.8	-178.8	-145	-3.3	111.3	E1070 E1076 A1077 D1082 D1100	E1070-R1080 VanDerWaalsContact CD-NH1 3.27Å; E1070-R1080 IonicContact OE1-CZ 3.87Å; E1070-R1080 IonicContact OE1-NH1 3.81Å; E1070-R1080 PolarHBondContact OE1-NH1 3.41Å; E1070-R1080 IonicContact OE1-NH2 2.97Å; E1070-R1080 PolarHBondContact OE1-NH2 3Å; E1070-R1080 IonicContact OE2-CZ 3.24Å; E1070-R1080 IonicContact OE2-NH1 2.99Å; E1070-R1080 PolarHBondContact OE2-NH1 3.02Å; E1070-R1080 IonicContact OE2-NH2 3.09Å; E1076-R1080 WeakPolarHBondContact O-CG 3.22Å; E1076-R1080 IonicContact OE1-CZ 3.32Å; E1076-R1080 VanDerWaalsContact OE1-CZ 3.25Å; E1076-R1080 IonicContact OE1-NE 3Å; E1076-R1080 PolarHBondContact OE1-NE 3.38Å; E1076-R1080 IonicContact OE1-NH2 2.71Å; E1076-R1080 PolarHBondContact OE1-NH2 3Å; A1077-R1080 PolarHBondContact O-N 3.35Å; A1077-R1080 VanDerWaalsContact O-N 3.08Å; R1080-D1082 VanDerWaalsContact C-N 3.31Å; R1080-D1082 PolarHBondContact O-N 2.94Å; R1080-D1100 WeakPolarHBondContact CD-OD2 3.5Å; R1080-D1100 IonicContact CZ-OD2 3.36Å; R1080-D1100 IonicContact NE-OD2 3.07Å; R1080-D1100 IonicContact NH1-OD2 2.96Å; R1080-D1100 PolarHBondContact NH1-OD2 3.05Å
1081	E	92.2	Very high	92.6	Very high	203 Å²	203	56.2 Å²	56.2	95%	0.949	31%	0.305	S	S	*	.	S	Bend	trans	-73.3	-19.3	-177.4	-61.7	-172.7	164	0	0	113.9
1082	D	91.2	Very high	91.6	Very high	49 Å²	49	65.2 Å²	65.2	26%	0.262	34%	0.343	S	S	.	.			trans	-123.7	81.7	-176.4	-169	-0.2	0	0	0	111.5	R1080 S1084 R1102	R1080-D1082 VanDerWaalsContact C-N 3.31Å; R1080-D1082 PolarHBondContact O-N 2.94Å; D1082-S1084 PolarHBondContact O-N 2.87Å; D1082-S1084 VanDerWaalsContact O-N 3.14Å; D1082-S1084 WeakPolarHBondContact OD1-CB 3.35Å; D1082-S1084 PolarHBondContact OD1-N 3.2Å; D1082-S1084 PolarHBondContact OD1-OG 3.21Å; D1082-R1102 WeakPolarHBondContact OD2-CD 3.49Å; D1082-R1102 IonicContact OD2-CZ 3.75Å; D1082-R1102 IonicContact OD2-NE 3.67Å; D1082-R1102 PolarHBondContact OD2-NE 2.94Å
1083	D	93.2	Very high	90.4	Very high	44 Å²	44	71.1 Å²	71.1	24%	0.235	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-71	7.8	175.3	64.7	-46.2	0	0	0	113.9	Y1085 L1086 I1161 K1162	D1083-Y1085 VanDerWaalsContact C-N 3.27Å; D1083-Y1085 PolarHBondContact O-N 3.11Å; D1083-L1086 HydrophobicContact CB-CD1 3.93Å; D1083-I1161 WeakPolarHBondContact OD2-CG2 3.47Å; D1083-K1162 VanDerWaalsContact CG-CE 3.48Å; D1083-K1162 WeakPolarHBondContact OD1-CE 3.34Å; D1083-K1162 IonicContact OD1-NZ 3.49Å; D1083-K1162 PolarHBondContact OD1-NZ 3.45Å; D1083-K1162 WeakPolarHBondContact OD2-CE 3.48Å; D1083-K1162 IonicContact OD2-NZ 3.61Å; D1083-K1162 PolarHBondContact OD2-NZ 3.24Å
1084	S	93.8	Very high	89.3	Confident	44 Å²	44	72.4 Å²	72.4	31%	0.308	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-74.8	-12.4	-172.4	-45.8	0	0	0	0	114.7	D1082 K1162	D1082-S1084 PolarHBondContact O-N 2.87Å; D1082-S1084 VanDerWaalsContact O-N 3.14Å; D1082-S1084 WeakPolarHBondContact OD1-CB 3.35Å; D1082-S1084 PolarHBondContact OD1-N 3.2Å; D1082-S1084 PolarHBondContact OD1-OG 3.21Å; S1084-K1162 PolarHBondContact OG-NZ 3.44Å
1085	Y	96.7	Very high	88.9	Confident	60 Å²	60	73.7 Å²	73.7	24%	0.235	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-126.5	25.5	-173.9	-62	-85.9	0	0	0	113	Y1067 D1083 A1101 R1102 R1109	Y1067-Y1085 PolarHBondContact OH-O 3.26Å; D1083-Y1085 VanDerWaalsContact C-N 3.27Å; D1083-Y1085 PolarHBondContact O-N 3.11Å; Y1085-A1101 PolarHBondContact O-N 3.15Å; Y1085-R1102 HydrophobicContact CD2-CB 4.18Å; Y1085-R1102 VanDerWaalsContact CD2-CD 3.41Å; Y1085-R1102 HydrophobicContact CD2-CG 4.41Å; Y1085-R1102 HydrophobicContact CG-CB 4.45Å; Y1085-R1109 HydrophobicContact CD1-CB 4.09Å; Y1085-R1109 HydrophobicContact CE1-CB 4.44Å; Y1085-R1109 WeakPolarHBondContact CE1-O 3.4Å
1086	L	95.9	Very high	88.7	Confident	46 Å²	46	72 Å²	72	24%	0.241	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	142.7	176.3	-62.9	176.5	0	0	0	111.8	I1072 A1077 D1083 C1098 I1099 D1100	I1072-L1086 HydrophobicContact CD1-CD2 4.06Å; A1077-L1086 HydrophobicContact CB-CD1 4.07Å; A1077-L1086 HydrophobicContact CB-CD2 4.35Å; D1083-L1086 HydrophobicContact CB-CD1 3.93Å; L1086-C1098 HydrophobicContact CD2-CB 4.4Å; L1086-I1099 CarbonylContact C-O 3.51Å; L1086-I1099 WeakPolarHBondContact CA-O 3.31Å; L1086-D1100 HydrophobicContact CD2-CB 3.7Å
1087	F	96.3	Very high	88.7	Confident	30 Å²	30	70.1 Å²	70.1	13%	0.132	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123.5	165.3	-166.7	-71.3	0	0	0	110.4	Y1067 L1089 C1098 I1099 P1121 I1136 F1138 F1152	Y1067-F1087 HydrophobicContact CD1-CB 3.76Å; Y1067-F1087 HydrophobicContact CD1-CG 4.31Å; Y1067-F1087 HydrophobicContact CD2-CD2 4.01Å; Y1067-F1087 HydrophobicContact CE1-CB 3.61Å; Y1067-F1087 HydrophobicContact CE2-CB 4.4Å; Y1067-F1087 HydrophobicContact CE2-CD2 4.28Å; Y1067-F1087 HydrophobicContact CG-CB 4.23Å; Y1067-F1087 HydrophobicContact CG-CD2 4.15Å; Y1067-F1087 HydrophobicContact CG-CG 4.33Å; F1087-L1089 HydrophobicContact CD1-CD2 4.2Å; F1087-C1098 CarbonylContact O-C 3.47Å; F1087-C1098 VanDerWaalsContact O-CA 3.31Å; F1087-C1098 WeakPolarHBondContact O-CA 3.27Å; F1087-I1099 HydrophobicContact CB-CB 4.41Å; F1087-I1099 PolarHBondContact N-O 2.8Å; F1087-I1099 PolarHBondContact O-N 3Å; F1087-P1121 HydrophobicContact CE2-CB 4.09Å; F1087-P1121 HydrophobicContact CE2-CG 4.37Å; F1087-P1121 HydrophobicContact CZ-CB 3.71Å; F1087-P1121 HydrophobicContact CZ-CG 4.03Å; F1087-I1136 HydrophobicContact CD1-CD1 4.33Å; F1087-I1136 HydrophobicContact CD1-CG1 3.89Å; F1087-I1136 HydrophobicContact CD1-CG2 4.25Å; F1087-I1136 HydrophobicContact CD2-CG2 4.45Å; F1087-I1136 HydrophobicContact CE1-CB 4.4Å; F1087-I1136 HydrophobicContact CE1-CD1 3.78Å; F1087-I1136 HydrophobicContact CE1-CG1 3.76Å; F1087-I1136 HydrophobicContact CE1-CG2 3.76Å; F1087-I1136 HydrophobicContact CE2-CG2 3.97Å; F1087-I1136 HydrophobicContact CZ-CG1 4.48Å; F1087-I1136 HydrophobicContact CZ-CG2 3.61Å; F1087-F1138 HydrophobicContact CE2-CZ 4.5Å; F1087-F1152 HydrophobicContact CD2-CE2 4.09Å; F1087-F1152 HydrophobicContact CD2-CZ 4.5Å; F1087-F1152 HydrophobicContact CE2-CD2 4.4Å; F1087-F1152 AromaticContact CE2-CE2 3.9Å; F1087-F1152 HydrophobicContact CE2-CE2 3.9Å
1088	D	93.7	Very high	88.8	Confident	40 Å²	40	69.6 Å²	69.6	21%	0.214	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.9	-174.1	-64.6	-47.9	0	0	0	114	C1098 R1157	D1088-C1098 PolarHBondContact OD1-SG 3.31Å; D1088-C1098 VanDerWaalsContact OD1-SG 3.36Å; D1088-R1157 IonicContact OD1-CZ 3.72Å; D1088-R1157 IonicContact OD1-NH1 2.98Å; D1088-R1157 PolarHBondContact OD1-NH1 3.4Å; D1088-R1157 VanDerWaalsContact OD2-CD 3.28Å; D1088-R1157 WeakPolarHBondContact OD2-CD 3.35Å; D1088-R1157 IonicContact OD2-CZ 3.52Å; D1088-R1157 IonicContact OD2-NE 2.74Å; D1088-R1157 PolarHBondContact OD2-NE 3.12Å; D1088-R1157 IonicContact OD2-NH1 3.73Å; D1088-R1157 PolarHBondContact OD2-NH1 3.24Å; D1088-R1157 IonicContact OD2-NH2 3.56Å
1089	L	92.5	Very high	89	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	62.2	177.1	-48.7	179.8	0	0	0	110.4	L1071 F1087 N1091 Y1097 I1099 P1134 I1136	L1071-L1089 HydrophobicContact CD2-CD1 4.46Å; F1087-L1089 HydrophobicContact CD1-CD2 4.2Å; L1089-N1091 PolarHBondContact O-N 3.25Å; L1089-Y1097 WeakPolarHBondContact CA-O 3.3Å; L1089-Y1097 WeakPolarHBondContact CB-O 3.45Å; L1089-Y1097 PolarHBondContact N-O 3.37Å; L1089-I1099 HydrophobicContact CD1-CD1 4.4Å; L1089-I1099 HydrophobicContact CD1-CG1 3.84Å; L1089-I1099 HydrophobicContact CD2-CD1 4.03Å; L1089-I1099 HydrophobicContact CD2-CG1 3.98Å; L1089-I1099 HydrophobicContact CG-CG1 4.12Å; L1089-P1134 HydrophobicContact CB-CG 4.4Å; L1089-P1134 HydrophobicContact CD2-CG 4.29Å; L1089-I1136 HydrophobicContact CD2-CD1 3.7Å; L1089-I1136 HydrophobicContact CD2-CG1 3.61Å
1090	D	81.1	Confident	89.1	Confident	64 Å²	64	57.9 Å²	57.9	34%	0.342	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	105.3	-177.8	-32.1	-89.6	0	0	0	111.5	R1123 R1157	D1090-R1123 PolarHBondContact O-NH1 3.24Å; D1090-R1123 IonicContact OD2-NH2 3.28Å; D1090-R1123 PolarHBondContact OD2-NH2 2.93Å; D1090-R1157 IonicContact OD1-NH2 2.71Å; D1090-R1157 PolarHBondContact OD1-NH2 3Å
1091	N	79.9	Confident	89.3	Confident	31 Å²	31	55.8 Å²	55.8	17%	0.166	29%	0.292	C	S	.	.			trans	-87.5	152	168.3	-171.1	28	0	0	0	110.9	L1089 D1093	L1089-N1091 PolarHBondContact O-N 3.25Å; N1091-D1093 VanDerWaalsContact C-N 3.25Å; N1091-D1093 PolarHBondContact ND2-OD2 3.24Å; N1091-D1093 PolarHBondContact O-N 2.98Å
1092	K	75.6	Confident	89.6	Confident	202 Å²	202	48.2 Å²	48.2	88%	0.878	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.4	178.9	-66.9	-176.4	178.7	179.3	0	113.4	G1094	K1092-G1094 VanDerWaalsContact C-N 3.35Å
1093	D	72.1	Confident	89.9	Confident	124 Å²	124	52 Å²	52	66%	0.663	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	9.7	-172.9	-48.3	-57.9	0	0	0	113.9	N1091 E1095	N1091-D1093 VanDerWaalsContact C-N 3.25Å; N1091-D1093 PolarHBondContact ND2-OD2 3.24Å; N1091-D1093 PolarHBondContact O-N 2.98Å; D1093-E1095 PolarHBondContact O-N 2.94Å
1094	G	69.9	Low	90.1	Very high	66 Å²	66	54.5 Å²	54.5	68%	0.68	27%	0.273	S	S	*	.	S	Bend	trans	93.5	-19.3	164.7	0	0	0	0	0	116.9	K1092	K1092-G1094 VanDerWaalsContact C-N 3.35Å
1095	E	81.8	Confident	90.3	Very high	102 Å²	102	52.4 Å²	52.4	48%	0.477	26%	0.258	S	S	.	.			trans	-81.2	122.8	163.4	-67.3	-176.1	165.1	0	0	109.3	D1093 Y1097 R1132	D1093-E1095 PolarHBondContact O-N 2.94Å; E1095-Y1097 HydrophobicContact CB-CE2 3.84Å; E1095-Y1097 PolarHBondContact OE2-OH 2.92Å; E1095-R1132 VanDerWaalsContact OE2-CD 3.24Å; E1095-R1132 WeakPolarHBondContact OE2-CD 3.48Å; E1095-R1132 IonicContact OE2-NH1 4Å; E1095-R1132 PolarHBondContact OE2-NH1 3.45Å
1096	V	89	Confident	90.4	Very high	36 Å²	36	49.6 Å²	49.6	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.6	175.5	-178.2	0	0	0	0	109.6	D1074	D1074-V1096 HydrophobicContact CB-CB 4.21Å; D1074-V1096 WeakPolarHBondContact CB-O 3.31Å; D1074-V1096 PolarHBondContact N-O 3.31Å; D1074-V1096 VanDerWaalsContact N-O 3.14Å
1097	Y	93.9	Very high	90.5	Very high	26 Å²	26	47.4 Å²	47.4	10%	0.102	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	160.3	177	-66	-91	0	0	0	109.1	M962 I1072 L1089 E1095 R1132 F1133	M962-Y1097 HydrophobicContact SD-CD1 3.85Å; M962-Y1097 HydrophobicContact SD-CE1 3.8Å; I1072-Y1097 CarbonylContact O-C 3.56Å; I1072-Y1097 VanDerWaalsContact O-CA 3.32Å; I1072-Y1097 WeakPolarHBondContact O-CA 3.45Å; I1072-Y1097 WeakPolarHBondContact O-CB 3.38Å; L1089-Y1097 WeakPolarHBondContact CA-O 3.3Å; L1089-Y1097 WeakPolarHBondContact CB-O 3.45Å; L1089-Y1097 PolarHBondContact N-O 3.37Å; E1095-Y1097 HydrophobicContact CB-CE2 3.84Å; E1095-Y1097 PolarHBondContact OE2-OH 2.92Å; Y1097-R1132 HydrophobicContact CD2-CB 4.03Å; Y1097-R1132 HydrophobicContact CE2-CB 3.84Å; Y1097-R1132 HydrophobicContact CE2-CG 4.24Å; Y1097-R1132 PolarHBondContact OH-NH1 2.97Å; Y1097-F1133 AromaticContact CD1-CE1 3.5Å; Y1097-F1133 HydrophobicContact CD1-CE1 3.5Å; Y1097-F1133 VanDerWaalsContact CD1-CE1 3.5Å; Y1097-F1133 AromaticContact CD1-CZ 3.8Å; Y1097-F1133 HydrophobicContact CD1-CZ 3.8Å; Y1097-F1133 HydrophobicContact CD2-CE1 4.06Å; Y1097-F1133 HydrophobicContact CD2-CZ 4.14Å; Y1097-F1133 AromaticContact CE1-CE1 3.79Å; Y1097-F1133 HydrophobicContact CE1-CE1 3.79Å; Y1097-F1133 AromaticContact CE1-CZ 3.55Å; Y1097-F1133 HydrophobicContact CE1-CZ 3.55Å; Y1097-F1133 HydrophobicContact CE2-CE1 4.31Å; Y1097-F1133 AromaticContact CE2-CZ 3.92Å; Y1097-F1133 HydrophobicContact CE2-CZ 3.92Å; Y1097-F1133 HydrophobicContact CG-CD1 4.41Å; Y1097-F1133 AromaticContact CG-CE1 3.65Å; Y1097-F1133 HydrophobicContact CG-CE1 3.65Å; Y1097-F1133 HydrophobicContact CG-CZ 4.08Å; Y1097-F1133 AromaticContact CZ-CZ 3.61Å
1098	C	94.4	Very high	90.6	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	154.8	176	-54.5	0	0	0	0	109.7	I1072 A1077 L1086 F1087 D1088	I1072-C1098 HydrophobicContact CD1-CB 4.47Å; I1072-C1098 HydrophobicContact CG1-CB 4.02Å; I1072-C1098 PolarHBondContact N-O 3.46Å; I1072-C1098 PolarHBondContact O-N 3.16Å; A1077-C1098 HydrophobicContact CB-CB 4.45Å; L1086-C1098 HydrophobicContact CD2-CB 4.4Å; F1087-C1098 CarbonylContact O-C 3.47Å; F1087-C1098 VanDerWaalsContact O-CA 3.31Å; F1087-C1098 WeakPolarHBondContact O-CA 3.27Å; D1088-C1098 PolarHBondContact OD1-SG 3.31Å; D1088-C1098 VanDerWaalsContact OD1-SG 3.36Å
1099	I	97.4	Very high	90.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.8	162.8	-48.3	-177.4	0	0	0	107.1	Y1067 G1069 E1070 L1071 L1086 F1087 L1089 I1136	Y1067-I1099 HydrophobicContact CD1-CB 4.11Å; Y1067-I1099 HydrophobicContact CD1-CD1 4.43Å; Y1067-I1099 HydrophobicContact CD1-CG2 3.97Å; Y1067-I1099 HydrophobicContact CE1-CB 4.24Å; Y1067-I1099 HydrophobicContact CE1-CG2 4.13Å; G1069-I1099 VanDerWaalsContact N-CG2 3.28Å; E1070-I1099 CarbonylContact O-C 3.57Å; E1070-I1099 WeakPolarHBondContact O-CA 3.41Å; L1071-I1099 HydrophobicContact CD2-CG1 4Å; L1086-I1099 CarbonylContact C-O 3.51Å; L1086-I1099 WeakPolarHBondContact CA-O 3.31Å; F1087-I1099 HydrophobicContact CB-CB 4.41Å; F1087-I1099 PolarHBondContact N-O 2.8Å; F1087-I1099 PolarHBondContact O-N 3Å; L1089-I1099 HydrophobicContact CD1-CD1 4.4Å; L1089-I1099 HydrophobicContact CD1-CG1 3.84Å; L1089-I1099 HydrophobicContact CD2-CD1 4.03Å; L1089-I1099 HydrophobicContact CD2-CG1 3.98Å; L1089-I1099 HydrophobicContact CG-CG1 4.12Å; I1099-I1136 HydrophobicContact CD1-CG1 4Å
1100	D	97.7	Very high	91.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	111.2	172	-177.8	9.6	0	0	0	110.4	E1070 I1072 R1080 L1086 R1102	E1070-D1100 HydrophobicContact CB-CB 4.44Å; E1070-D1100 WeakPolarHBondContact CB-O 3.45Å; E1070-D1100 PolarHBondContact N-O 3.37Å; E1070-D1100 PolarHBondContact O-N 2.85Å; I1072-D1100 HydrophobicContact CD1-CB 3.83Å; I1072-D1100 HydrophobicContact CG1-CB 4.43Å; R1080-D1100 WeakPolarHBondContact CD-OD2 3.5Å; R1080-D1100 IonicContact CZ-OD2 3.36Å; R1080-D1100 IonicContact NE-OD2 3.07Å; R1080-D1100 IonicContact NH1-OD2 2.96Å; R1080-D1100 PolarHBondContact NH1-OD2 3.05Å; L1086-D1100 HydrophobicContact CD2-CB 3.7Å; D1100-R1102 VanDerWaalsContact C-N 3.32Å; D1100-R1102 WeakPolarHBondContact OD1-CA 3.25Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.42Å; D1100-R1102 PolarHBondContact OD1-N 2.85Å
1101	A	98.2	Very high	91.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	-88.9	8.3	176.2	0	0	0	0	0	113.7	Y1067 Y1085 Y1104 R1109	Y1067-A1101 HydrophobicContact CE1-CB 3.8Å; Y1085-A1101 PolarHBondContact O-N 3.15Å; A1101-Y1104 CarbonylContact C-O 3.54Å; A1101-Y1104 VanDerWaalsContact CA-O 3.3Å; A1101-Y1104 WeakPolarHBondContact CA-O 3.27Å; A1101-R1109 HydrophobicContact CB-CB 3.7Å; A1101-R1109 PolarHBondContact O-NE 3Å
1102	R	97.4	Very high	92.8	Very high	44 Å²	44	41.6 Å²	41.6	17%	0.166	21%	0.205	C	C	.	.	S	Bend	trans	-63.9	-56.1	-174.7	178.1	60.1	-169.9	95.3	-21.2	112.6	D949 D1082 Y1085 D1100 R1109	D949-R1102 PolarHBondContact O-NH1 3.4Å; D949-R1102 IonicContact OD2-CZ 3.2Å; D949-R1102 VanDerWaalsContact OD2-CZ 3.26Å; D949-R1102 IonicContact OD2-NH1 2.75Å; D949-R1102 PolarHBondContact OD2-NH1 2.96Å; D949-R1102 IonicContact OD2-NH2 2.71Å; D949-R1102 PolarHBondContact OD2-NH2 2.82Å; D1082-R1102 WeakPolarHBondContact OD2-CD 3.49Å; D1082-R1102 IonicContact OD2-CZ 3.75Å; D1082-R1102 IonicContact OD2-NE 3.67Å; D1082-R1102 PolarHBondContact OD2-NE 2.94Å; Y1085-R1102 HydrophobicContact CD2-CB 4.18Å; Y1085-R1102 VanDerWaalsContact CD2-CD 3.41Å; Y1085-R1102 HydrophobicContact CD2-CG 4.41Å; Y1085-R1102 HydrophobicContact CG-CB 4.45Å; D1100-R1102 VanDerWaalsContact C-N 3.32Å; D1100-R1102 WeakPolarHBondContact OD1-CA 3.25Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.42Å; D1100-R1102 PolarHBondContact OD1-N 2.85Å; R1102-R1109 PolarHBondContact O-NH2 3.47Å
1103	Y	97	Very high	93.9	Very high	130 Å²	130	32.4 Å²	32.4	51%	0.51	17%	0.165	S	C	.	.	S	Bend	trans	-94.3	-36.8	-175.3	-63.3	-72.5	0	0	0	112.7	Y950 K951	Y950-Y1103 CarbonylContact C-O 3.59Å; K951-Y1103 PolarHBondContact N-O 3.08Å
1104	Y	98.2	Very high	95.1	Very high	95 Å²	95	27.4 Å²	27.4	37%	0.373	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.7	179.5	-56.6	-86.9	0	0	0	108	K951 T959 G1069 E1070 A1101	K951-Y1104 HydrophobicContact CB-CD1 3.72Å; K951-Y1104 HydrophobicContact CB-CE1 4.09Å; K951-Y1104 HydrophobicContact CG-CD1 4.02Å; K951-Y1104 HydrophobicContact CG-CE1 4.28Å; K951-Y1104 WeakPolarHBondContact O-CA 3.48Å; T959-Y1104 HydrophobicContact CG2-CE2 4.35Å; G1069-Y1104 WeakPolarHBondContact CA-O 3.49Å; E1070-Y1104 HydrophobicContact CB-CD2 4.49Å; A1101-Y1104 CarbonylContact C-O 3.54Å; A1101-Y1104 VanDerWaalsContact CA-O 3.3Å; A1101-Y1104 WeakPolarHBondContact CA-O 3.27Å
1105	G	97.9	Very high	96.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	166.4	173.5	0	0	0	0	0	114	K951 Y952 I953 V1068	K951-G1105 PolarHBondContact O-N 3.36Å; K951-G1105 VanDerWaalsContact O-N 3.14Å; Y952-G1105 VanDerWaalsContact CA-O 3.28Å; Y952-G1105 WeakPolarHBondContact CA-O 3.38Å; I953-G1105 PolarHBondContact N-O 3.34Å; V1068-G1105 WeakPolarHBondContact O-CA 3.18Å
1106	N	98.3	Very high	97	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	10%	0.099	C	C	.	.			trans	-90.7	-160.3	178.7	80.2	-6.6	0	0	0	111.5	Y952 I953 E1066 V1068 S1108 R1109	Y952-N1106 HydrophobicContact CE1-CB 3.97Å; Y952-N1106 HydrophobicContact CE2-CB 4.29Å; I953-N1106 WeakPolarHBondContact O-CA 3.32Å; I953-N1106 WeakPolarHBondContact O-CB 3.48Å; I953-N1106 PolarHBondContact O-N 2.34Å; E1066-N1106 PolarHBondContact O-ND2 3.16Å; E1066-N1106 PolarHBondContact O-OD1 3.43Å; V1068-N1106 HydrophobicContact CB-CB 3.88Å; V1068-N1106 HydrophobicContact CG1-CB 4.33Å; V1068-N1106 HydrophobicContact CG2-CB 4.45Å; V1068-N1106 WeakPolarHBondContact CG2-ND2 3.49Å; V1068-N1106 PolarHBondContact O-N 3.19Å; N1106-S1108 PolarHBondContact O-N 3.38Å; N1106-S1108 WeakPolarHBondContact OD1-CB 3.44Å; N1106-S1108 PolarHBondContact OD1-N 2.95Å; N1106-S1108 PolarHBondContact OD1-OG 3.39Å; N1106-R1109 WeakPolarHBondContact O-CG 3.28Å
1107	I	98.4	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-57.4	-23.7	175.5	-170.9	55.8	0	0	0	114.6	I935 Y952 I1036 L1040 L1042 V1052 C1065 R1109 F1110	I935-I1107 HydrophobicContact CD1-CB 3.85Å; I935-I1107 HydrophobicContact CD1-CG1 4.1Å; I935-I1107 HydrophobicContact CD1-CG2 3.91Å; I935-I1107 HydrophobicContact CG2-CD1 3.74Å; I935-I1107 HydrophobicContact CG2-CG1 4.01Å; Y952-I1107 HydrophobicContact CE2-CB 4.27Å; Y952-I1107 VanDerWaalsContact CE2-N 3.28Å; Y952-I1107 PolarHBondContact OH-N 3.21Å; I1036-I1107 HydrophobicContact CD1-CG2 3.87Å; L1040-I1107 HydrophobicContact CD1-CG2 4.41Å; L1042-I1107 HydrophobicContact CB-CD1 4.14Å; L1042-I1107 HydrophobicContact CD1-CD1 4.39Å; V1052-I1107 HydrophobicContact CG1-CD1 4.34Å; V1052-I1107 HydrophobicContact CG1-CG1 4.05Å; V1052-I1107 HydrophobicContact CG2-CD1 3.67Å; V1052-I1107 HydrophobicContact CG2-CG1 3.87Å; C1065-I1107 HydrophobicContact CB-CG2 4.13Å; I1107-R1109 PolarHBondContact O-N 2.99Å; I1107-F1110 HydrophobicContact CD1-CD2 4.27Å; I1107-F1110 PolarHBondContact O-N 3.15Å
1108	S	98.4	Very high	97.6	Very high	1 Å²	1	21 Å²	21	1%	0.007	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-60.3	-31	-175.7	73.8	0	0	0	0	113.7	Y1067 V1068 N1106 F1110 I1111	Y1067-S1108 WeakPolarHBondContact CA-OG 3.39Å; Y1067-S1108 WeakPolarHBondContact CD2-OG 3.33Å; V1068-S1108 PolarHBondContact N-OG 3.23Å; N1106-S1108 PolarHBondContact O-N 3.38Å; N1106-S1108 WeakPolarHBondContact OD1-CB 3.44Å; N1106-S1108 PolarHBondContact OD1-N 2.95Å; N1106-S1108 PolarHBondContact OD1-OG 3.39Å; S1108-F1110 PolarHBondContact O-N 3.01Å; S1108-I1111 WeakPolarHBondContact O-CB 3.4Å; S1108-I1111 PolarHBondContact O-N 2.92Å
1109	R	98.2	Very high	97.7	Very high	10 Å²	10	21 Å²	21	4%	0.038	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-61.4	-15.3	-178.7	79.8	-173.3	-63.8	-82.7	6.4	113.7	Y1085 A1101 R1102 N1106 I1107	Y1085-R1109 HydrophobicContact CD1-CB 4.09Å; Y1085-R1109 HydrophobicContact CE1-CB 4.44Å; Y1085-R1109 WeakPolarHBondContact CE1-O 3.4Å; A1101-R1109 HydrophobicContact CB-CB 3.7Å; A1101-R1109 PolarHBondContact O-NE 3Å; R1102-R1109 PolarHBondContact O-NH2 3.47Å; N1106-R1109 WeakPolarHBondContact O-CG 3.28Å; I1107-R1109 PolarHBondContact O-N 2.99Å
1110	F	98.5	Very high	97.8	Very high	10 Å²	10	22 Å²	22	4%	0.044	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-105.3	4.3	179	-58	-74.5	0	0	0	113.3	P947 Y950 L1042 W1050 G1051 V1052 I1107 S1108 N1112	P947-F1110 HydrophobicContact CB-CE1 4.06Å; P947-F1110 HydrophobicContact CB-CZ 4.08Å; P947-F1110 HydrophobicContact CG-CE1 3.6Å; P947-F1110 HydrophobicContact CG-CZ 3.54Å; Y950-F1110 HydrophobicContact CD1-CZ 4.11Å; Y950-F1110 AromaticContact CE1-CE2 3.99Å; Y950-F1110 HydrophobicContact CE1-CE2 3.99Å; Y950-F1110 AromaticContact CE1-CZ 3.55Å; Y950-F1110 HydrophobicContact CE1-CZ 3.55Å; Y950-F1110 HydrophobicContact CE2-CE2 4.16Å; Y950-F1110 HydrophobicContact CE2-CZ 4.42Å; Y950-F1110 AromaticContact CZ-CE2 3.66Å; Y950-F1110 AromaticContact CZ-CZ 3.74Å; L1042-F1110 HydrophobicContact CD1-CB 3.47Å; L1042-F1110 VanDerWaalsContact CD1-CB 3.47Å; L1042-F1110 HydrophobicContact CD1-CD1 3.86Å; L1042-F1110 HydrophobicContact CD1-CD2 3.77Å; L1042-F1110 HydrophobicContact CD1-CE2 4.42Å; L1042-F1110 HydrophobicContact CD1-CG 3.43Å; L1042-F1110 VanDerWaalsContact CD1-CG 3.43Å; L1042-F1110 HydrophobicContact CD2-CD2 4.31Å; L1042-F1110 HydrophobicContact CD2-CE2 4.21Å; L1042-F1110 HydrophobicContact CD2-CZ 4.38Å; W1050-F1110 HydrophobicContact CB-CD1 3.78Å; W1050-F1110 HydrophobicContact CB-CE1 4.36Å; W1050-F1110 HydrophobicContact CG-CD1 4.43Å; G1051-F1110 CarbonylContact C-O 3.52Å; G1051-F1110 VanDerWaalsContact CA-O 3.31Å; G1051-F1110 WeakPolarHBondContact CA-O 3.23Å; V1052-F1110 HydrophobicContact CG2-CB 3.75Å; V1052-F1110 PolarHBondContact N-O 3.01Å; I1107-F1110 HydrophobicContact CD1-CD2 4.27Å; I1107-F1110 PolarHBondContact O-N 3.15Å; S1108-F1110 PolarHBondContact O-N 3.01Å; F1110-N1112 PolarHBondContact O-N 2.92Å
1111	I	98.5	Very high	97.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.			trans	-81.8	111.9	178.2	-62.8	179.1	0	0	0	108.7	V1052 S1108 I1119 F1138 L1150 F1152 Y1154	V1052-I1111 HydrophobicContact CB-CG1 4.05Å; V1052-I1111 HydrophobicContact CG2-CG1 3.84Å; S1108-I1111 WeakPolarHBondContact O-CB 3.4Å; S1108-I1111 PolarHBondContact O-N 2.92Å; I1111-I1119 HydrophobicContact CD1-CD1 4.22Å; I1111-I1119 HydrophobicContact CG2-CD1 3.75Å; I1111-F1138 HydrophobicContact CD1-CD2 4.43Å; I1111-F1138 HydrophobicContact CD1-CE2 4.49Å; I1111-L1150 HydrophobicContact CG2-CB 4.16Å; I1111-L1150 WeakPolarHBondContact CG2-O 3.23Å; I1111-F1152 HydrophobicContact CB-CD1 4.47Å; I1111-F1152 HydrophobicContact CB-CE1 4.33Å; I1111-F1152 HydrophobicContact CG2-CD1 3.81Å; I1111-F1152 HydrophobicContact CG2-CE1 4.15Å; I1111-Y1154 PolarHBondContact O-OH 3.16Å
1112	N	98.1	Very high	97.7	Very high	22 Å²	22	24 Å²	24	12%	0.118	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	162.9	-174.4	-77.9	-49.2	0	0	0	114	M1048 W1050 G1051 F1110 E1149 G1151 Y1154	M1048-N1112 HydrophobicContact CE-CB 4.06Å; M1048-N1112 HydrophobicContact SD-CB 4.38Å; W1050-N1112 PolarHBondContact O-ND2 3.3Å; G1051-N1112 WeakPolarHBondContact CA-ND2 3.33Å; F1110-N1112 PolarHBondContact O-N 2.92Å; N1112-E1149 PolarHBondContact ND2-OE1 3.29Å; N1112-G1151 WeakPolarHBondContact O-CA 3.19Å; N1112-Y1154 WeakPolarHBondContact CA-OH 3.39Å
1113	H	97.9	Very high	97.7	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.042	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131	171.1	174.8	70.5	0	0	0	111.9	C1115 F1152 D1153 Y1154 W1159 C1168 H1177	H1113-C1115 PolarHBondContact NE2-N 3.07Å; H1113-C1115 PolarHBondContact NE2-SG 3.15Å; H1113-F1152 WeakPolarHBondContact CA-O 3.37Å; H1113-F1152 PolarHBondContact ND1-O 3.39Å; H1113-D1153 IonicContact CE1-OD1 3.44Å; H1113-D1153 PolarHBondContact CE1-OD1 2.99Å; H1113-D1153 VanDerWaalsContact CE1-OD1 3.3Å; H1113-D1153 IonicContact ND1-OD1 3.58Å; H1113-Y1154 VanDerWaalsContact CA-CE1 3.45Å; H1113-Y1154 HydrophobicContact CB-CD1 3.63Å; H1113-Y1154 HydrophobicContact CB-CD2 3.98Å; H1113-Y1154 HydrophobicContact CB-CE1 3.65Å; H1113-Y1154 HydrophobicContact CB-CE2 4.03Å; H1113-Y1154 HydrophobicContact CB-CG 3.79Å; H1113-Y1154 VanDerWaalsContact N-CE1 3.28Å; H1113-Y1154 PolarHBondContact N-OH 2.8Å; H1113-Y1154 AromaticContact ND1-CD1 3.88Å; H1113-Y1154 AromaticContact ND1-CG 3.88Å; H1113-Y1154 PolarHBondContact ND1-N 3.47Å; H1113-Y1154 VanDerWaalsContact ND1-N 3.17Å; H1113-W1159 HydrophobicContact CB-CZ2 4.14Å; H1113-W1159 AromaticContact CD2-CE2 3.7Å; H1113-W1159 AromaticContact CD2-CZ2 3.43Å; H1113-W1159 VanDerWaalsContact CD2-CZ2 3.43Å; H1113-W1159 WeakPolarHBondContact CD2-CZ2 3.11Å; H1113-W1159 AromaticContact CD2-NE1 3.43Å; H1113-W1159 PolarHBondContact CD2-NE1 2.93Å; H1113-W1159 AromaticContact CE1-NE1 3.39Å; H1113-W1159 PolarHBondContact CE1-NE1 3.09Å; H1113-W1159 AromaticContact CG-CE2 3.98Å; H1113-W1159 AromaticContact CG-CZ2 3.79Å; H1113-W1159 AromaticContact CG-NE1 3.54Å; H1113-W1159 AromaticContact ND1-NE1 3.53Å; H1113-W1159 AromaticContact NE2-CE2 3.95Å; H1113-W1159 AromaticContact NE2-NE1 3.33Å; H1113-W1159 PolarHBondContact NE2-NE1 2.87Å; H1113-C1168 VanDerWaalsContact CD2-SG 3.57Å; H1113-H1177 AromaticContact NE2-CD2 3.86Å
1114	L	97.6	Very high	97.7	Very high	20 Å²	20	19.4 Å²	19.4	11%	0.105	10%	0.095	C	C	.	.			trans	-126.4	126	167.7	-65.8	178	0	0	0	110.4	D1116 P1117 F1152 C1170	L1114-D1116 PolarHBondContact O-N 3.39Å; L1114-P1117 WeakPolarHBondContact O-CD 3.49Å; L1114-F1152 PolarHBondContact N-O 3.22Å; L1114-F1152 VanDerWaalsContact N-O 3.1Å; L1114-C1170 HydrophobicContact CD2-CB 3.68Å
1115	C	96.1	Very high	97.7	Very high	12 Å²	12	15 Å²	15	8%	0.081	8%	0.078	C	C	.	.	S	Bend	trans	-68.9	-11.4	174.3	-56.2	0	0	0	0	113.9	H1113 C1175	H1113-C1115 PolarHBondContact NE2-N 3.07Å; H1113-C1115 PolarHBondContact NE2-SG 3.15Å; C1115-C1175 PolarHBondContact SG-SG 2.88Å
1116	D	95.7	Very high	97.6	Very high	48 Å²	48	15.2 Å²	15.2	26%	0.257	8%	0.079	S	C	.	.	S	Bend	trans	-126.9	74.7	171	-174.4	85.9	0	0	0	107.9	L1114 R1142 K1174	L1114-D1116 PolarHBondContact O-N 3.39Å; D1116-R1142 PolarHBondContact O-NH1 3.47Å; D1116-R1142 IonicContact OD2-CZ 3.44Å; D1116-R1142 IonicContact OD2-NH1 3.16Å; D1116-R1142 PolarHBondContact OD2-NH1 2.72Å; D1116-R1142 IonicContact OD2-NH2 3.63Å; D1116-K1174 WeakPolarHBondContact OD1-CD 3.47Å; D1116-K1174 IonicContact OD1-NZ 3.23Å; D1116-K1174 PolarHBondContact OD1-NZ 3.15Å
1117	P	97.3	Very high	97.5	Very high	36 Å²	36	19.4 Å²	19.4	23%	0.234	10%	0.101	C	C	.	.			trans	-75.3	140	-162.9	29.2	-36.2	0	0	0	113.1	L1114 S1141 G1151 D1153	L1114-P1117 WeakPolarHBondContact O-CD 3.49Å; P1117-S1141 PolarHBondContact O-OG 3.18Å; P1117-G1151 WeakPolarHBondContact CA-O 3.23Å; P1117-G1151 WeakPolarHBondContact CB-O 3.44Å; P1117-D1153 HydrophobicContact CG-CB 4.35Å
1118	N	97.8	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-93.5	-4.9	175.8	58.7	14.5	0	0	0	113.9	S1140 S1141 R1142 I1144 E1148 E1149 L1150 G1151	N1118-S1140 CarbonylContact O-C 3.56Å; N1118-S1140 WeakPolarHBondContact O-CA 3.25Å; N1118-S1141 VanDerWaalsContact C-OG 3.25Å; N1118-S1141 VanDerWaalsContact CA-OG 3.3Å; N1118-S1141 WeakPolarHBondContact CA-OG 3.42Å; N1118-S1141 PolarHBondContact O-N 3.27Å; N1118-S1141 PolarHBondContact O-OG 2.6Å; N1118-R1142 HydrophobicContact CB-CG 4.11Å; N1118-I1144 HydrophobicContact CB-CD1 4.05Å; N1118-I1144 HydrophobicContact CB-CG1 4.15Å; N1118-E1148 PolarHBondContact ND2-OE1 2.83Å; N1118-E1149 PolarHBondContact ND2-O 2.81Å; N1118-L1150 WeakPolarHBondContact OD1-CA 3.48Å; N1118-G1151 PolarHBondContact N-O 3Å; N1118-G1151 PolarHBondContact OD1-N 3.37Å; N1118-G1151 PolarHBondContact OD1-O 3.46Å
1119	I	98.2	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.8	172.4	58.5	163.8	0	0	0	111.3	I1064 I1111 F1138 F1139 I1144 L1150 G1151 F1152	I1064-I1119 HydrophobicContact CG1-CG2 3.88Å; I1111-I1119 HydrophobicContact CD1-CD1 4.22Å; I1111-I1119 HydrophobicContact CG2-CD1 3.75Å; I1119-F1138 HydrophobicContact CD1-CB 4.12Å; I1119-F1138 HydrophobicContact CD1-CD1 3.66Å; I1119-F1138 HydrophobicContact CD1-CD2 4.4Å; I1119-F1138 HydrophobicContact CD1-CE1 4.12Å; I1119-F1138 HydrophobicContact CD1-CG 3.82Å; I1119-F1138 HydrophobicContact CG1-CD1 4.28Å; I1119-F1139 CarbonylContact C-O 3.56Å; I1119-F1139 VanDerWaalsContact CA-O 3.26Å; I1119-F1139 WeakPolarHBondContact CA-O 3.23Å; I1119-I1144 HydrophobicContact CG2-CD1 3.96Å; I1119-L1150 HydrophobicContact CG2-CD2 4.3Å; I1119-G1151 WeakPolarHBondContact CG1-O 3.25Å; I1119-G1151 PolarHBondContact N-O 3.28Å; I1119-F1152 HydrophobicContact CD1-CB 4.24Å; I1119-F1152 HydrophobicContact CD1-CD1 4.39Å; I1119-F1152 HydrophobicContact CG1-CB 4.03Å
1120	I	97.8	Very high	97.1	Very high	21 Å²	21	22.1 Å²	22.1	11%	0.108	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138	176.6	48.9	168.8	0	0	0	110.8	F1006 K1008 F1138 F1139	F1006-I1120 HydrophobicContact CD1-CD1 4.48Å; F1006-I1120 HydrophobicContact CE1-CD1 4.2Å; K1008-I1120 HydrophobicContact CB-CD1 3.92Å; K1008-I1120 HydrophobicContact CG-CD1 3.98Å; I1120-F1138 WeakPolarHBondContact O-CA 3.21Å; I1120-F1139 WeakPolarHBondContact CG1-O 3.44Å; I1120-F1139 PolarHBondContact N-O 3.37Å; I1120-F1139 PolarHBondContact O-N 3.15Å
1121	P	97.5	Very high	96.8	Very high	43 Å²	43	25.3 Å²	25.3	28%	0.279	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	137.7	171.2	30.8	-32.5	0	0	0	110.8	F1087 I1136 F1138	F1087-P1121 HydrophobicContact CE2-CB 4.09Å; F1087-P1121 HydrophobicContact CE2-CG 4.37Å; F1087-P1121 HydrophobicContact CZ-CB 3.71Å; F1087-P1121 HydrophobicContact CZ-CG 4.03Å; P1121-I1136 HydrophobicContact CB-CG2 3.83Å; P1121-F1138 HydrophobicContact CB-CD1 4.14Å; P1121-F1138 HydrophobicContact CB-CE1 3.85Å; P1121-F1138 HydrophobicContact CG-CE1 4.42Å
1122	V	97.2	Very high	96.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.4	176	-177.1	0	0	0	0	108.8	F1006 P1011 I1014 V1124 A1137 F1139	F1006-V1122 HydrophobicContact CE1-CG2 4.13Å; F1006-V1122 HydrophobicContact CZ-CG1 4Å; F1006-V1122 HydrophobicContact CZ-CG2 3.98Å; P1011-V1122 HydrophobicContact CB-CB 4.46Å; P1011-V1122 HydrophobicContact CB-CG1 4.18Å; P1011-V1122 HydrophobicContact CB-CG2 4.06Å; P1011-V1122 HydrophobicContact CG-CG2 4.38Å; I1014-V1122 HydrophobicContact CD1-CG1 3.74Å; I1014-V1122 HydrophobicContact CG1-CG1 3.97Å; V1122-V1124 HydrophobicContact CG1-CG2 4.21Å; V1122-A1137 PolarHBondContact N-O 3.13Å; V1122-A1137 PolarHBondContact O-N 3.08Å; V1122-F1139 HydrophobicContact CB-CD2 3.94Å; V1122-F1139 HydrophobicContact CB-CE2 3.99Å; V1122-F1139 HydrophobicContact CG2-CD2 3.63Å; V1122-F1139 HydrophobicContact CG2-CE2 4.16Å
1123	R	97	Very high	96.3	Very high	76 Å²	76	27 Å²	27	29%	0.287	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.6	-180	-70.4	177	-178.9	-175.5	0.2	109.9	L1013 I1014 D1090 P1134 I1136	L1013-R1123 HydrophobicContact CD2-CB 3.66Å; I1014-R1123 PolarHBondContact N-O 2.96Å; D1090-R1123 PolarHBondContact O-NH1 3.24Å; D1090-R1123 IonicContact OD2-NH2 3.28Å; D1090-R1123 PolarHBondContact OD2-NH2 2.93Å; R1123-P1134 HydrophobicContact CB-CB 3.81Å; R1123-P1134 HydrophobicContact CG-CB 3.99Å; R1123-P1134 HydrophobicContact CG-CG 4.19Å; R1123-I1136 HydrophobicContact CG-CD1 3.72Å
1124	V	97.5	Very high	96.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.4	-170.1	-170.8	0	0	0	0	111.5	I1014 E1016 V1032 V1122 M1126 R1135 A1137	I1014-V1124 HydrophobicContact CB-CG1 4.27Å; I1014-V1124 HydrophobicContact CB-CG2 4.2Å; I1014-V1124 HydrophobicContact CG2-CG1 4.31Å; I1014-V1124 CarbonylContact O-C 3.21Å; I1014-V1124 WeakPolarHBondContact O-CA 3.41Å; E1016-V1124 HydrophobicContact CG-CG1 3.8Å; V1032-V1124 HydrophobicContact CB-CG1 4.37Å; V1032-V1124 HydrophobicContact CG2-CG1 4.25Å; V1032-V1124 HydrophobicContact CG2-CG2 4.27Å; V1122-V1124 HydrophobicContact CG1-CG2 4.21Å; V1124-M1126 HydrophobicContact CB-CE 4.31Å; V1124-M1126 HydrophobicContact CG1-CE 4.08Å; V1124-M1126 HydrophobicContact CG1-CG 4.26Å; V1124-R1135 PolarHBondContact N-O 3.04Å; V1124-R1135 PolarHBondContact O-N 3.44Å; V1124-A1137 HydrophobicContact CG2-CB 3.71Å
1125	F	97.7	Very high	96.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.5	174.4	-60.8	-77	0	0	0	110.7	L1013 I1014 F1015 E1016 Q1129 D1130 L1131 P1134	L1013-F1125 HydrophobicContact CB-CE2 4.25Å; L1013-F1125 HydrophobicContact CD1-CE2 4.18Å; L1013-F1125 HydrophobicContact CD2-CE2 4.28Å; L1013-F1125 HydrophobicContact CG-CE2 4.46Å; I1014-F1125 PolarHBondContact O-N 3.42Å; F1015-F1125 HydrophobicContact CD1-CB 3.78Å; F1015-F1125 AromaticContact CD1-CD2 3.9Å; F1015-F1125 HydrophobicContact CD1-CD2 3.9Å; F1015-F1125 HydrophobicContact CD1-CG 4.12Å; F1015-F1125 HydrophobicContact CE1-CB 4.02Å; F1015-F1125 AromaticContact CE1-CD2 3.46Å; F1015-F1125 HydrophobicContact CE1-CD2 3.46Å; F1015-F1125 VanDerWaalsContact CE1-CD2 3.46Å; F1015-F1125 HydrophobicContact CE1-CE2 4.15Å; F1015-F1125 AromaticContact CE1-CG 3.85Å; F1015-F1125 HydrophobicContact CE1-CG 3.85Å; F1015-F1125 HydrophobicContact CE2-CD2 4.18Å; F1015-F1125 HydrophobicContact CG-CD2 4.42Å; F1015-F1125 AromaticContact CZ-CD2 3.61Å; F1015-F1125 HydrophobicContact CZ-CD2 3.61Å; F1015-F1125 AromaticContact CZ-CE2 3.94Å; F1015-F1125 HydrophobicContact CZ-CE2 3.94Å; F1015-F1125 HydrophobicContact CZ-CG 4.44Å; E1016-F1125 PolarHBondContact N-O 3.23Å; F1125-Q1129 HydrophobicContact CB-CG 4.2Å; F1125-D1130 WeakPolarHBondContact CE1-O 3.39Å; F1125-L1131 HydrophobicContact CE1-CD2 4.22Å; F1125-L1131 HydrophobicContact CE2-CD2 3.94Å; F1125-L1131 HydrophobicContact CZ-CD2 3.69Å; F1125-P1134 HydrophobicContact CE1-CB 3.97Å; F1125-P1134 HydrophobicContact CE2-CB 4.46Å; F1125-P1134 HydrophobicContact CZ-CB 3.75Å
1126	M	96.8	Very high	96.3	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.015	13%	0.133	C	C	.	.	S	Bend	trans	-138	-95.9	-171.2	-70.4	170.7	-98.2	0	0	110.6	E1016 N1018 V1032 Q1033 V1124 H1128 R1135	E1016-M1126 HydrophobicContact CB-CG 4.09Å; E1016-M1126 HydrophobicContact CG-CG 4.18Å; N1018-M1126 WeakPolarHBondContact CB-O 3.49Å; V1032-M1126 HydrophobicContact CB-CE 4.09Å; V1032-M1126 HydrophobicContact CB-SD 4.02Å; V1032-M1126 HydrophobicContact CG1-CE 3.47Å; V1032-M1126 VanDerWaalsContact CG1-CE 3.47Å; V1032-M1126 HydrophobicContact CG1-SD 3.88Å; Q1033-M1126 HydrophobicContact CB-CG 4.18Å; Q1033-M1126 HydrophobicContact CB-SD 3.64Å; Q1033-M1126 PolarHBondContact N-SD 3.36Å; V1124-M1126 HydrophobicContact CB-CE 4.31Å; V1124-M1126 HydrophobicContact CG1-CE 4.08Å; V1124-M1126 HydrophobicContact CG1-CG 4.26Å; M1126-H1128 VanDerWaalsContact C-N 3.32Å; M1126-H1128 PolarHBondContact N-O 3.2Å; M1126-H1128 PolarHBondContact O-N 3.16Å; M1126-R1135 HydrophobicContact CE-CB 3.61Å; M1126-R1135 HydrophobicContact CE-CG 4.19Å
1127	L	96	Very high	96.4	Very high	90 Å²	90	24.6 Å²	24.6	47%	0.471	12%	0.121	S	C	.	.	S	Bend	trans	-75.9	-18.9	-174.4	-57	179.6	0	0	0	113.8	Q1019	Q1019-L1127 PolarHBondContact NE2-O 3Å
1128	H	96.2	Very high	96.5	Very high	27 Å²	27	22.9 Å²	22.9	13%	0.125	11%	0.11	C	C	.	.			trans	-133.5	162.5	170.1	56.5	100.2	0	0	0	109.3	I964 D965 M1126 F1133	I964-H1128 HydrophobicContact CG2-CB 4.39Å; I964-H1128 WeakPolarHBondContact CG2-ND1 3.41Å; D965-H1128 WeakPolarHBondContact O-CB 3.37Å; M1126-H1128 VanDerWaalsContact C-N 3.32Å; M1126-H1128 PolarHBondContact N-O 3.2Å; M1126-H1128 PolarHBondContact O-N 3.16Å; H1128-F1133 PolarHBondContact CE1-O 3.41Å; H1128-F1133 VanDerWaalsContact CE1-O 3.29Å
1129	Q	95.1	Very high	96.5	Very high	25 Å²	25	22.9 Å²	22.9	12%	0.117	11%	0.11	C	C	.	.			trans	-125.9	19.4	177.7	-71.3	174.8	-8	0	0	112.2	L971 Q972 F1015 N1018 F1125 L1131	L971-Q1129 HydrophobicContact CD2-CB 4.25Å; L971-Q1129 HydrophobicContact CD2-CG 3.81Å; Q972-Q1129 PolarHBondContact O-NE2 3.28Å; F1015-Q1129 HydrophobicContact CD1-CG 4.06Å; F1015-Q1129 HydrophobicContact CE1-CB 4.5Å; F1015-Q1129 HydrophobicContact CE1-CG 4.26Å; N1018-Q1129 PolarHBondContact ND2-NE2 3.45Å; F1125-Q1129 HydrophobicContact CB-CG 4.2Å; Q1129-L1131 PolarHBondContact O-N 2.98Å; Q1129-L1131 VanDerWaalsContact O-N 3.12Å
1130	D	94.4	Very high	96.5	Very high	17 Å²	17	23 Å²	23	9%	0.091	11%	0.11	C	C	.	.			trans	-61.6	108.6	171.3	-169	-26.5	0	0	0	110.3	I964 D965 F1125 R1132 F1133	I964-D1130 WeakPolarHBondContact CA-OD2 3.22Å; I964-D1130 HydrophobicContact CG2-CB 3.95Å; D965-D1130 HydrophobicContact CB-CB 4.09Å; D965-D1130 PolarHBondContact N-OD2 2.91Å; F1125-D1130 WeakPolarHBondContact CE1-O 3.39Å; D1130-R1132 PolarHBondContact O-N 2.95Å; D1130-R1132 VanDerWaalsContact O-N 3.11Å; D1130-R1132 WeakPolarHBondContact OD1-CB 3.25Å; D1130-R1132 IonicContact OD1-CZ 3.25Å; D1130-R1132 PolarHBondContact OD1-N 3.3Å; D1130-R1132 IonicContact OD1-NE 3.8Å; D1130-R1132 PolarHBondContact OD1-NE 3.21Å; D1130-R1132 IonicContact OD1-NH2 2.86Å; D1130-R1132 IonicContact OD2-CZ 3.3Å; D1130-R1132 IonicContact OD2-NE 3.56Å; D1130-R1132 IonicContact OD2-NH2 2.74Å; D1130-R1132 PolarHBondContact OD2-NH2 2.91Å; D1130-F1133 HydrophobicContact CB-CD2 4.37Å; D1130-F1133 PolarHBondContact O-N 3.43Å
1131	L	93	Very high	96.5	Very high	76 Å²	76	22.9 Å²	22.9	40%	0.398	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.8	-171.2	-60.1	-179.3	0	0	0	114	F1015 F1125 Q1129 F1133	F1015-L1131 HydrophobicContact CE1-CD2 4.41Å; F1015-L1131 HydrophobicContact CZ-CD2 4.13Å; F1125-L1131 HydrophobicContact CE1-CD2 4.22Å; F1125-L1131 HydrophobicContact CE2-CD2 3.94Å; F1125-L1131 HydrophobicContact CZ-CD2 3.69Å; Q1129-L1131 PolarHBondContact O-N 2.98Å; Q1129-L1131 VanDerWaalsContact O-N 3.12Å; L1131-F1133 VanDerWaalsContact C-N 3.3Å
1132	R	92.1	Very high	96.5	Very high	54 Å²	54	24.5 Å²	24.5	20%	0.204	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.9	174.3	-59.8	175.1	-62	154.6	5.9	112.8	N963 E1095 Y1097 D1130 P1134	N963-R1132 PolarHBondContact O-NH2 3.34Å; E1095-R1132 VanDerWaalsContact OE2-CD 3.24Å; E1095-R1132 WeakPolarHBondContact OE2-CD 3.48Å; E1095-R1132 IonicContact OE2-NH1 4Å; E1095-R1132 PolarHBondContact OE2-NH1 3.45Å; Y1097-R1132 HydrophobicContact CD2-CB 4.03Å; Y1097-R1132 HydrophobicContact CE2-CB 3.84Å; Y1097-R1132 HydrophobicContact CE2-CG 4.24Å; Y1097-R1132 PolarHBondContact OH-NH1 2.97Å; D1130-R1132 PolarHBondContact O-N 2.95Å; D1130-R1132 VanDerWaalsContact O-N 3.11Å; D1130-R1132 WeakPolarHBondContact OD1-CB 3.25Å; D1130-R1132 IonicContact OD1-CZ 3.25Å; D1130-R1132 PolarHBondContact OD1-N 3.3Å; D1130-R1132 IonicContact OD1-NE 3.8Å; D1130-R1132 PolarHBondContact OD1-NE 3.21Å; D1130-R1132 IonicContact OD1-NH2 2.86Å; D1130-R1132 IonicContact OD2-CZ 3.3Å; D1130-R1132 IonicContact OD2-NE 3.56Å; D1130-R1132 IonicContact OD2-NH2 2.74Å; D1130-R1132 PolarHBondContact OD2-NH2 2.91Å; R1132-P1134 WeakPolarHBondContact O-CD 3.32Å
1133	F	94.5	Very high	96.5	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.018	14%	0.139	C	C	.	.	S	Bend	trans	-124.8	63	-173.9	-56.9	-75.1	0	0	0	112.5	M962 I964 L1071 Y1097 H1128 D1130 L1131	M962-F1133 HydrophobicContact CB-CE1 3.91Å; M962-F1133 HydrophobicContact CB-CE2 4.38Å; M962-F1133 HydrophobicContact CB-CZ 3.67Å; M962-F1133 HydrophobicContact CG-CE1 4.04Å; M962-F1133 HydrophobicContact CG-CZ 4.25Å; M962-F1133 HydrophobicContact SD-CE1 3.95Å; M962-F1133 HydrophobicContact SD-CZ 4.18Å; I964-F1133 HydrophobicContact CB-CD2 4.16Å; I964-F1133 HydrophobicContact CB-CE2 4.43Å; I964-F1133 HydrophobicContact CD1-CB 4.37Å; I964-F1133 HydrophobicContact CD1-CD1 4.34Å; I964-F1133 HydrophobicContact CD1-CD2 4.2Å; I964-F1133 HydrophobicContact CD1-CG 4.04Å; I964-F1133 HydrophobicContact CG1-CD2 3.72Å; I964-F1133 HydrophobicContact CG1-CE2 3.84Å; I964-F1133 HydrophobicContact CG1-CG 4.07Å; I964-F1133 HydrophobicContact CG1-CZ 4.32Å; I964-F1133 HydrophobicContact CG2-CB 4.47Å; I964-F1133 HydrophobicContact CG2-CD2 3.95Å; I964-F1133 HydrophobicContact CG2-CG 4.45Å; L1071-F1133 HydrophobicContact CD1-CD1 4.21Å; Y1097-F1133 AromaticContact CD1-CE1 3.5Å; Y1097-F1133 HydrophobicContact CD1-CE1 3.5Å; Y1097-F1133 VanDerWaalsContact CD1-CE1 3.5Å; Y1097-F1133 AromaticContact CD1-CZ 3.8Å; Y1097-F1133 HydrophobicContact CD1-CZ 3.8Å; Y1097-F1133 HydrophobicContact CD2-CE1 4.06Å; Y1097-F1133 HydrophobicContact CD2-CZ 4.14Å; Y1097-F1133 AromaticContact CE1-CE1 3.79Å; Y1097-F1133 HydrophobicContact CE1-CE1 3.79Å; Y1097-F1133 AromaticContact CE1-CZ 3.55Å; Y1097-F1133 HydrophobicContact CE1-CZ 3.55Å; Y1097-F1133 HydrophobicContact CE2-CE1 4.31Å; Y1097-F1133 AromaticContact CE2-CZ 3.92Å; Y1097-F1133 HydrophobicContact CE2-CZ 3.92Å; Y1097-F1133 HydrophobicContact CG-CD1 4.41Å; Y1097-F1133 AromaticContact CG-CE1 3.65Å; Y1097-F1133 HydrophobicContact CG-CE1 3.65Å; Y1097-F1133 HydrophobicContact CG-CZ 4.08Å; Y1097-F1133 AromaticContact CZ-CZ 3.61Å; H1128-F1133 PolarHBondContact CE1-O 3.41Å; H1128-F1133 VanDerWaalsContact CE1-O 3.29Å; D1130-F1133 HydrophobicContact CB-CD2 4.37Å; D1130-F1133 PolarHBondContact O-N 3.43Å; L1131-F1133 VanDerWaalsContact C-N 3.3Å
1134	P	95.7	Very high	96.5	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.039	13%	0.126	C	C	.	.			trans	-67.6	133.1	171.1	28.2	-31.6	0	0	0	110.7	L1089 R1123 F1125 R1132	L1089-P1134 HydrophobicContact CB-CG 4.4Å; L1089-P1134 HydrophobicContact CD2-CG 4.29Å; R1123-P1134 HydrophobicContact CB-CB 3.81Å; R1123-P1134 HydrophobicContact CG-CB 3.99Å; R1123-P1134 HydrophobicContact CG-CG 4.19Å; F1125-P1134 HydrophobicContact CE1-CB 3.97Å; F1125-P1134 HydrophobicContact CE2-CB 4.46Å; F1125-P1134 HydrophobicContact CZ-CB 3.75Å; R1132-P1134 WeakPolarHBondContact O-CD 3.32Å
1135	R	97.1	Very high	96.5	Very high	32 Å²	32	33.5 Å²	33.5	12%	0.121	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.2	169.5	-75.5	175.9	65.2	161.8	-1.9	109	E955 E1066 V1124 M1126	E955-R1135 IonicContact OE1-CZ 3.89Å; E955-R1135 IonicContact OE1-NH1 2.74Å; E955-R1135 PolarHBondContact OE1-NH1 3.33Å; E955-R1135 IonicContact OE1-NH2 3.28Å; E955-R1135 PolarHBondContact OE1-NH2 3.47Å; E955-R1135 VanDerWaalsContact OE1-NH2 3.16Å; E1066-R1135 VanDerWaalsContact CD-NE 3.26Å; E1066-R1135 VanDerWaalsContact OE1-CB 3.31Å; E1066-R1135 WeakPolarHBondContact OE1-CB 3.44Å; E1066-R1135 VanDerWaalsContact OE1-CG 3.24Å; E1066-R1135 WeakPolarHBondContact OE1-CG 3.49Å; E1066-R1135 IonicContact OE1-CZ 2.65Å; E1066-R1135 IonicContact OE1-NE 3.26Å; E1066-R1135 PolarHBondContact OE1-NE 3.45Å; E1066-R1135 IonicContact OE1-NH2 2.64Å; E1066-R1135 IonicContact OE2-CZ 3.81Å; E1066-R1135 VanDerWaalsContact OE2-CZ 3.23Å; E1066-R1135 IonicContact OE2-NE 3.7Å; E1066-R1135 PolarHBondContact OE2-NE 3.17Å; E1066-R1135 IonicContact OE2-NH2 2.82Å; E1066-R1135 PolarHBondContact OE2-NH2 2.58Å; V1124-R1135 PolarHBondContact N-O 3.04Å; V1124-R1135 PolarHBondContact O-N 3.44Å; M1126-R1135 HydrophobicContact CE-CB 3.61Å; M1126-R1135 HydrophobicContact CE-CG 4.19Å
1136	I	98	Very high	96.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	97.9	-168.5	-60.2	-58.3	0	0	0	110.1	E1066 Y1067 F1087 L1089 I1099 P1121 R1123	E1066-I1136 CarbonylContact C-O 3.55Å; E1066-I1136 VanDerWaalsContact CA-O 3.28Å; E1066-I1136 WeakPolarHBondContact CA-O 3.44Å; E1066-I1136 WeakPolarHBondContact CG-O 3.48Å; Y1067-I1136 PolarHBondContact N-O 3.38Å; F1087-I1136 HydrophobicContact CD1-CD1 4.33Å; F1087-I1136 HydrophobicContact CD1-CG1 3.89Å; F1087-I1136 HydrophobicContact CD1-CG2 4.25Å; F1087-I1136 HydrophobicContact CD2-CG2 4.45Å; F1087-I1136 HydrophobicContact CE1-CB 4.4Å; F1087-I1136 HydrophobicContact CE1-CD1 3.78Å; F1087-I1136 HydrophobicContact CE1-CG1 3.76Å; F1087-I1136 HydrophobicContact CE1-CG2 3.76Å; F1087-I1136 HydrophobicContact CE2-CG2 3.97Å; F1087-I1136 HydrophobicContact CZ-CG1 4.48Å; F1087-I1136 HydrophobicContact CZ-CG2 3.61Å; L1089-I1136 HydrophobicContact CD2-CD1 3.7Å; L1089-I1136 HydrophobicContact CD2-CG1 3.61Å; I1099-I1136 HydrophobicContact CD1-CG1 4Å; P1121-I1136 HydrophobicContact CB-CG2 3.83Å; R1123-I1136 HydrophobicContact CG-CD1 3.72Å
1137	A	98.3	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.9	-178	0	0	0	0	0	111.7	V1032 F1063 V1122 V1124 F1139	V1032-A1137 HydrophobicContact CB-CB 4.42Å; V1032-A1137 HydrophobicContact CG1-CB 3.88Å; V1032-A1137 HydrophobicContact CG2-CB 3.59Å; F1063-A1137 HydrophobicContact CD2-CB 4.11Å; F1063-A1137 HydrophobicContact CE2-CB 3.76Å; V1122-A1137 PolarHBondContact N-O 3.13Å; V1122-A1137 PolarHBondContact O-N 3.08Å; V1124-A1137 HydrophobicContact CG2-CB 3.71Å; A1137-F1139 HydrophobicContact CB-CD2 4.27Å; A1137-F1139 HydrophobicContact CB-CE2 3.61Å; A1137-F1139 HydrophobicContact CB-CZ 4.34Å
1138	F	98.6	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	131.1	172.1	-69.8	-68	0	0	0	111.9	F1063 I1064 C1065 Y1067 F1087 I1111 I1119 I1120 P1121 F1152	F1063-F1138 WeakPolarHBondContact CD2-O 3.18Å; I1064-F1138 HydrophobicContact CB-CB 4.28Å; I1064-F1138 PolarHBondContact N-O 3.27Å; C1065-F1138 WeakPolarHBondContact O-CB 3.44Å; C1065-F1138 PolarHBondContact O-N 3.1Å; Y1067-F1138 AromaticContact CD2-CE2 3.8Å; Y1067-F1138 HydrophobicContact CD2-CE2 3.8Å; Y1067-F1138 AromaticContact CD2-CZ 3.91Å; Y1067-F1138 HydrophobicContact CD2-CZ 3.91Å; Y1067-F1138 HydrophobicContact CG-CE2 4.31Å; F1087-F1138 HydrophobicContact CE2-CZ 4.5Å; I1111-F1138 HydrophobicContact CD1-CD2 4.43Å; I1111-F1138 HydrophobicContact CD1-CE2 4.49Å; I1119-F1138 HydrophobicContact CD1-CB 4.12Å; I1119-F1138 HydrophobicContact CD1-CD1 3.66Å; I1119-F1138 HydrophobicContact CD1-CD2 4.4Å; I1119-F1138 HydrophobicContact CD1-CE1 4.12Å; I1119-F1138 HydrophobicContact CD1-CG 3.82Å; I1119-F1138 HydrophobicContact CG1-CD1 4.28Å; I1120-F1138 WeakPolarHBondContact O-CA 3.21Å; P1121-F1138 HydrophobicContact CB-CD1 4.14Å; P1121-F1138 HydrophobicContact CB-CE1 3.85Å; P1121-F1138 HydrophobicContact CG-CE1 4.42Å; F1138-F1152 HydrophobicContact CE1-CB 3.86Å; F1138-F1152 AromaticContact CE1-CD1 3.83Å; F1138-F1152 HydrophobicContact CE1-CD1 3.83Å; F1138-F1152 AromaticContact CE1-CD2 3.95Å; F1138-F1152 HydrophobicContact CE1-CD2 3.95Å; F1138-F1152 HydrophobicContact CE1-CE1 4.35Å; F1138-F1152 HydrophobicContact CE1-CE2 4.46Å; F1138-F1152 AromaticContact CE1-CG 3.63Å; F1138-F1152 HydrophobicContact CE1-CG 3.63Å; F1138-F1152 AromaticContact CZ-CD1 3.75Å; F1138-F1152 HydrophobicContact CZ-CD1 3.75Å; F1138-F1152 HydrophobicContact CZ-CD2 4.16Å; F1138-F1152 AromaticContact CZ-CE1 3.82Å; F1138-F1152 HydrophobicContact CZ-CE1 3.82Å; F1138-F1152 HydrophobicContact CZ-CE2 4.23Å; F1138-F1152 AromaticContact CZ-CG 3.96Å; F1138-F1152 HydrophobicContact CZ-CG 3.96Å; F1138-F1152 HydrophobicContact CZ-CZ 4.07Å
1139	F	98.5	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	147.4	172.9	-66.8	-95.2	0	0	0	110.7	Y996 L1002 V1031 V1032 G1061 T1062 F1063 I1119 I1120 V1122 A1137 S1141	Y996-F1139 AromaticContact CE1-CE1 3.83Å; Y996-F1139 HydrophobicContact CE1-CE1 3.83Å; Y996-F1139 AromaticContact CE1-CZ 3.78Å; Y996-F1139 HydrophobicContact CE1-CZ 3.78Å; L1002-F1139 HydrophobicContact CD1-CB 3.56Å; L1002-F1139 HydrophobicContact CD1-CD1 3.76Å; L1002-F1139 HydrophobicContact CD1-CD2 3.97Å; L1002-F1139 HydrophobicContact CD1-CE1 4.39Å; L1002-F1139 HydrophobicContact CD1-CG 3.5Å; L1002-F1139 HydrophobicContact CD2-CD1 4.27Å; L1002-F1139 HydrophobicContact CD2-CE1 4.12Å; L1002-F1139 HydrophobicContact CD2-CZ 4.36Å; L1002-F1139 HydrophobicContact CG-CB 4.33Å; L1002-F1139 HydrophobicContact CG-CD1 3.65Å; L1002-F1139 HydrophobicContact CG-CE1 3.99Å; L1002-F1139 HydrophobicContact CG-CG 3.96Å; V1031-F1139 HydrophobicContact CG1-CE1 4.47Å; V1032-F1139 HydrophobicContact CG2-CE2 4.23Å; V1032-F1139 HydrophobicContact CG2-CZ 3.74Å; G1061-F1139 WeakPolarHBondContact O-CD1 3.4Å; T1062-F1139 WeakPolarHBondContact O-CA 3.34Å; F1063-F1139 HydrophobicContact CB-CD1 3.95Å; F1063-F1139 HydrophobicContact CB-CE1 3.65Å; F1063-F1139 HydrophobicContact CB-CZ 4.3Å; F1063-F1139 HydrophobicContact CD2-CE1 4.33Å; F1063-F1139 HydrophobicContact CD2-CE2 4.45Å; F1063-F1139 HydrophobicContact CD2-CZ 4.22Å; F1063-F1139 HydrophobicContact CG-CE1 4.41Å; I1119-F1139 CarbonylContact C-O 3.56Å; I1119-F1139 VanDerWaalsContact CA-O 3.26Å; I1119-F1139 WeakPolarHBondContact CA-O 3.23Å; I1120-F1139 WeakPolarHBondContact CG1-O 3.44Å; I1120-F1139 PolarHBondContact N-O 3.37Å; I1120-F1139 PolarHBondContact O-N 3.15Å; V1122-F1139 HydrophobicContact CB-CD2 3.94Å; V1122-F1139 HydrophobicContact CB-CE2 3.99Å; V1122-F1139 HydrophobicContact CG2-CD2 3.63Å; V1122-F1139 HydrophobicContact CG2-CE2 4.16Å; A1137-F1139 HydrophobicContact CB-CD2 4.27Å; A1137-F1139 HydrophobicContact CB-CE2 3.61Å; A1137-F1139 HydrophobicContact CB-CZ 4.34Å; F1139-S1141 PolarHBondContact O-N 3.38Å
1140	S	98.1	Very high	96.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	125.1	178.7	49.5	0	0	0	0	112.8	P1059 Q1060 G1061 T1062 N1118 R1142	P1059-S1140 PolarHBondContact O-OG 3.15Å; Q1060-S1140 WeakPolarHBondContact CA-OG 3.24Å; G1061-S1140 PolarHBondContact N-O 2.92Å; G1061-S1140 PolarHBondContact N-OG 3.11Å; T1062-S1140 PolarHBondContact N-OG 3.48Å; T1062-S1140 PolarHBondContact O-N 2.99Å; T1062-S1140 PolarHBondContact O-OG 3.07Å; N1118-S1140 CarbonylContact O-C 3.56Å; N1118-S1140 WeakPolarHBondContact O-CA 3.25Å; S1140-R1142 WeakPolarHBondContact CB-O 3.35Å
1141	S	97.1	Very high	96.9	Very high	20 Å²	20	34.8 Å²	34.8	14%	0.14	18%	0.176	C	C	.	.	S	Bend	trans	-76.2	-25.8	-180	75.5	0	0	0	0	112.6	K1008 Q1060 P1117 N1118 F1139	K1008-S1141 PolarHBondContact NZ-O 3.23Å; Q1060-S1141 WeakPolarHBondContact CG-O 3.38Å; P1117-S1141 PolarHBondContact O-OG 3.18Å; N1118-S1141 VanDerWaalsContact C-OG 3.25Å; N1118-S1141 VanDerWaalsContact CA-OG 3.3Å; N1118-S1141 WeakPolarHBondContact CA-OG 3.42Å; N1118-S1141 PolarHBondContact O-N 3.27Å; N1118-S1141 PolarHBondContact O-OG 2.6Å; F1139-S1141 PolarHBondContact O-N 3.38Å
1142	R	96.9	Very high	97.1	Very high	77 Å²	77	31.7 Å²	31.7	29%	0.291	16%	0.16	S	C	.	.	S	Bend	trans	-144	177	179.3	63.2	177	176.9	-126.9	11.6	110	D1116 N1118 S1140 E1148	D1116-R1142 PolarHBondContact O-NH1 3.47Å; D1116-R1142 IonicContact OD2-CZ 3.44Å; D1116-R1142 IonicContact OD2-NH1 3.16Å; D1116-R1142 PolarHBondContact OD2-NH1 2.72Å; D1116-R1142 IonicContact OD2-NH2 3.63Å; N1118-R1142 HydrophobicContact CB-CG 4.11Å; S1140-R1142 WeakPolarHBondContact CB-O 3.35Å; R1142-E1148 IonicContact CZ-OE1 3.58Å; R1142-E1148 IonicContact NE-OE1 2.76Å; R1142-E1148 PolarHBondContact NE-OE1 2.77Å; R1142-E1148 IonicContact NH2-OE1 2.72Å; R1142-E1148 PolarHBondContact NH2-OE1 2.83Å
1143	D	97.7	Very high	97.3	Very high	108 Å²	108	31.6 Å²	31.6	58%	0.578	16%	0.163	S	C	*	.			trans	-68.4	129.8	166.3	-62.4	-36.8	0	0	0	110.6	P1059 Q1060	P1059-D1143 VanDerWaalsContact CA-OD1 3.28Å; P1059-D1143 WeakPolarHBondContact CA-OD1 3.48Å; Q1060-D1143 PolarHBondContact N-OD1 3.15Å
1144	I	98.2	Very high	97.4	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-104.7	131.5	-179.2	-47.9	-173.2	0	0	0	108.9	A1054 T1057 I1058 N1118 I1119 E1148 L1150	A1054-I1144 HydrophobicContact CB-CG2 4.33Å; T1057-I1144 WeakPolarHBondContact CA-O 3.27Å; I1058-I1144 HydrophobicContact CB-CB 4.16Å; I1058-I1144 PolarHBondContact N-O 1.77Å; I1058-I1144 PolarHBondContact O-N 2.89Å; N1118-I1144 HydrophobicContact CB-CD1 4.05Å; N1118-I1144 HydrophobicContact CB-CG1 4.15Å; I1119-I1144 HydrophobicContact CG2-CD1 3.96Å; I1144-E1148 HydrophobicContact CG2-CB 3.8Å; I1144-E1148 HydrophobicContact CG2-CG 4.12Å; I1144-L1150 HydrophobicContact CD1-CD2 3.61Å; I1144-L1150 HydrophobicContact CG2-CD2 4.14Å
1145	R	97.6	Very high	97.3	Very high	155 Å²	155	35.3 Å²	35.3	59%	0.585	19%	0.185	S	C	*	.			trans	-83.9	152.5	179.5	-67.8	178.3	-51.9	-52.7	-11.7	111.6	G1147 E1148	R1145-G1147 PolarHBondContact O-N 3.39Å; R1145-E1148 HydrophobicContact CB-CB 4.47Å; R1145-E1148 IonicContact CZ-OE2 2.85Å; R1145-E1148 PolarHBondContact N-OE2 3.44Å; R1145-E1148 IonicContact NH1-OE2 2.84Å; R1145-E1148 PolarHBondContact NH1-OE2 3.11Å; R1145-E1148 IonicContact NH2-OE2 2.65Å; R1145-E1148 PolarHBondContact NH2-OE2 3.28Å; R1145-E1148 VanDerWaalsContact NH2-OE2 3.11Å; R1145-E1148 VanDerWaalsContact O-CB 3.23Å; R1145-E1148 WeakPolarHBondContact O-CB 3.29Å; R1145-E1148 PolarHBondContact O-N 2.8Å
1146	T	96.8	Very high	97.1	Very high	88 Å²	88	38.3 Å²	38.3	54%	0.54	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	129.3	167.4	-52.4	0	0	0	0	110	Q1056 T1057 E1148	Q1056-T1146 VanDerWaalsContact C-OG1 3.23Å; T1057-T1146 PolarHBondContact N-OG1 3.19Å; T1146-E1148 VanDerWaalsContact C-N 3.34Å
1147	G	94.6	Very high	96.8	Very high	47 Å²	47	43.8 Å²	43.8	49%	0.485	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-5.5	-176	0	0	0	0	0	115.5	A1054 R1145	A1054-G1147 PolarHBondContact O-N 3.14Å; R1145-G1147 PolarHBondContact O-N 3.39Å
1148	E	97.5	Very high	96.6	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.103	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-72	134.7	175.2	-170.4	175.9	151.2	0	0	110.8	R1053 A1054 N1118 R1142 I1144 R1145 T1146	R1053-E1148 WeakPolarHBondContact CA-O 3.19Å; R1053-E1148 WeakPolarHBondContact CB-O 3.33Å; A1054-E1148 PolarHBondContact N-O 3.4Å; A1054-E1148 VanDerWaalsContact N-O 3.15Å; N1118-E1148 PolarHBondContact ND2-OE1 2.83Å; R1142-E1148 IonicContact CZ-OE1 3.58Å; R1142-E1148 IonicContact NE-OE1 2.76Å; R1142-E1148 PolarHBondContact NE-OE1 2.77Å; R1142-E1148 IonicContact NH2-OE1 2.72Å; R1142-E1148 PolarHBondContact NH2-OE1 2.83Å; I1144-E1148 HydrophobicContact CG2-CB 3.8Å; I1144-E1148 HydrophobicContact CG2-CG 4.12Å; R1145-E1148 HydrophobicContact CB-CB 4.47Å; R1145-E1148 IonicContact CZ-OE2 2.85Å; R1145-E1148 PolarHBondContact N-OE2 3.44Å; R1145-E1148 IonicContact NH1-OE2 2.84Å; R1145-E1148 PolarHBondContact NH1-OE2 3.11Å; R1145-E1148 IonicContact NH2-OE2 2.65Å; R1145-E1148 PolarHBondContact NH2-OE2 3.28Å; R1145-E1148 VanDerWaalsContact NH2-OE2 3.11Å; R1145-E1148 VanDerWaalsContact O-CB 3.23Å; R1145-E1148 WeakPolarHBondContact O-CB 3.29Å; R1145-E1148 PolarHBondContact O-N 2.8Å; T1146-E1148 VanDerWaalsContact C-N 3.34Å
1149	E	97.9	Very high	96.4	Very high	36 Å²	36	45.7 Å²	45.7	17%	0.168	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-69	133.8	173.9	-168.5	165.1	179.4	0	0	110.3	Y1043 T1045 M1048 N1112 N1118	Y1043-E1149 HydrophobicContact CE1-CG 4.28Å; Y1043-E1149 VanDerWaalsContact OH-CB 3.26Å; Y1043-E1149 WeakPolarHBondContact OH-CB 3.44Å; Y1043-E1149 WeakPolarHBondContact OH-CG 3.39Å; Y1043-E1149 PolarHBondContact OH-OE2 3.15Å; T1045-E1149 WeakPolarHBondContact CG2-OE1 3.43Å; M1048-E1149 VanDerWaalsContact CE-OE1 3.31Å; M1048-E1149 WeakPolarHBondContact CE-OE1 3.37Å; M1048-E1149 WeakPolarHBondContact CE-OE2 3.44Å; N1112-E1149 PolarHBondContact ND2-OE1 3.29Å; N1118-E1149 PolarHBondContact ND2-O 2.81Å
1150	L	98.5	Very high	96.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-80.4	139.8	173.5	-60.5	-175.7	0	0	0	110.3	L1040 V1052 I1064 I1111 N1118 I1119 I1144	L1040-L1150 HydrophobicContact CD1-CD1 4.34Å; L1040-L1150 HydrophobicContact CD2-CD1 3.72Å; V1052-L1150 HydrophobicContact CG1-CD1 4.02Å; V1052-L1150 PolarHBondContact O-N 3.03Å; I1064-L1150 HydrophobicContact CG2-CD1 3.71Å; I1111-L1150 HydrophobicContact CG2-CB 4.16Å; I1111-L1150 WeakPolarHBondContact CG2-O 3.23Å; N1118-L1150 WeakPolarHBondContact OD1-CA 3.48Å; I1119-L1150 HydrophobicContact CG2-CD2 4.3Å; I1144-L1150 HydrophobicContact CD1-CD2 3.61Å; I1144-L1150 HydrophobicContact CG2-CD2 4.14Å
1151	G	98	Very high	95.9	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	146.3	170.9	0	0	0	0	0	115.1	N1112 P1117 N1118 I1119	N1112-G1151 WeakPolarHBondContact O-CA 3.19Å; P1117-G1151 WeakPolarHBondContact CA-O 3.23Å; P1117-G1151 WeakPolarHBondContact CB-O 3.44Å; N1118-G1151 PolarHBondContact N-O 3Å; N1118-G1151 PolarHBondContact OD1-N 3.37Å; N1118-G1151 PolarHBondContact OD1-O 3.46Å; I1119-G1151 WeakPolarHBondContact CG1-O 3.25Å; I1119-G1151 PolarHBondContact N-O 3.28Å
1152	F	97.7	Very high	95.8	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.053	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	164.2	176.8	64.8	-72.6	0	0	0	110.9	Y1067 F1087 I1111 H1113 L1114 I1119 F1138 Y1154	Y1067-F1152 HydrophobicContact CD2-CZ 4.48Å; Y1067-F1152 HydrophobicContact CE2-CZ 4.21Å; F1087-F1152 HydrophobicContact CD2-CE2 4.09Å; F1087-F1152 HydrophobicContact CD2-CZ 4.5Å; F1087-F1152 HydrophobicContact CE2-CD2 4.4Å; F1087-F1152 AromaticContact CE2-CE2 3.9Å; F1087-F1152 HydrophobicContact CE2-CE2 3.9Å; I1111-F1152 HydrophobicContact CB-CD1 4.47Å; I1111-F1152 HydrophobicContact CB-CE1 4.33Å; I1111-F1152 HydrophobicContact CG2-CD1 3.81Å; I1111-F1152 HydrophobicContact CG2-CE1 4.15Å; H1113-F1152 WeakPolarHBondContact CA-O 3.37Å; H1113-F1152 PolarHBondContact ND1-O 3.39Å; L1114-F1152 PolarHBondContact N-O 3.22Å; L1114-F1152 VanDerWaalsContact N-O 3.1Å; I1119-F1152 HydrophobicContact CD1-CB 4.24Å; I1119-F1152 HydrophobicContact CD1-CD1 4.39Å; I1119-F1152 HydrophobicContact CG1-CB 4.03Å; F1138-F1152 HydrophobicContact CE1-CB 3.86Å; F1138-F1152 AromaticContact CE1-CD1 3.83Å; F1138-F1152 HydrophobicContact CE1-CD1 3.83Å; F1138-F1152 AromaticContact CE1-CD2 3.95Å; F1138-F1152 HydrophobicContact CE1-CD2 3.95Å; F1138-F1152 HydrophobicContact CE1-CE1 4.35Å; F1138-F1152 HydrophobicContact CE1-CE2 4.46Å; F1138-F1152 AromaticContact CE1-CG 3.63Å; F1138-F1152 HydrophobicContact CE1-CG 3.63Å; F1138-F1152 AromaticContact CZ-CD1 3.75Å; F1138-F1152 HydrophobicContact CZ-CD1 3.75Å; F1138-F1152 HydrophobicContact CZ-CD2 4.16Å; F1138-F1152 AromaticContact CZ-CE1 3.82Å; F1138-F1152 HydrophobicContact CZ-CE1 3.82Å; F1138-F1152 HydrophobicContact CZ-CE2 4.23Å; F1138-F1152 AromaticContact CZ-CG 3.96Å; F1138-F1152 HydrophobicContact CZ-CG 3.96Å; F1138-F1152 HydrophobicContact CZ-CZ 4.07Å; F1152-Y1154 HydrophobicContact CD1-CD1 4.22Å; F1152-Y1154 AromaticContact CD1-CE1 3.95Å; F1152-Y1154 HydrophobicContact CD1-CE1 3.95Å; F1152-Y1154 AromaticContact CD2-CD1 3.95Å; F1152-Y1154 HydrophobicContact CD2-CD1 3.95Å; F1152-Y1154 HydrophobicContact CD2-CE1 4.46Å; F1152-Y1154 AromaticContact CE1-CD1 3.91Å; F1152-Y1154 HydrophobicContact CE1-CD1 3.91Å; F1152-Y1154 AromaticContact CE1-CE1 3.45Å; F1152-Y1154 HydrophobicContact CE1-CE1 3.45Å; F1152-Y1154 VanDerWaalsContact CE1-CE1 3.45Å; F1152-Y1154 AromaticContact CE2-CD1 3.61Å; F1152-Y1154 HydrophobicContact CE2-CD1 3.61Å; F1152-Y1154 HydrophobicContact CE2-CE1 4.01Å; F1152-Y1154 HydrophobicContact CE2-CG 4.44Å; F1152-Y1154 HydrophobicContact CG-CD1 4.23Å; F1152-Y1154 HydrophobicContact CG-CE1 4.42Å; F1152-Y1154 AromaticContact CZ-CD1 3.58Å; F1152-Y1154 HydrophobicContact CZ-CD1 3.58Å; F1152-Y1154 AromaticContact CZ-CE1 3.47Å; F1152-Y1154 HydrophobicContact CZ-CE1 3.47Å; F1152-Y1154 VanDerWaalsContact CZ-CE1 3.47Å
1153	D	96.7	Very high	95.6	Very high	51 Å²	51	52.5 Å²	52.5	27%	0.273	27%	0.274	S	S	.	.			trans	-75.9	127.1	165.8	-163.9	-20.5	0	0	0	108	H1113 P1117 G1155 K1176	H1113-D1153 IonicContact CE1-OD1 3.44Å; H1113-D1153 PolarHBondContact CE1-OD1 2.99Å; H1113-D1153 VanDerWaalsContact CE1-OD1 3.3Å; H1113-D1153 IonicContact ND1-OD1 3.58Å; P1117-D1153 HydrophobicContact CG-CB 4.35Å; D1153-G1155 PolarHBondContact OD1-N 2.62Å; D1153-K1176 IonicContact OD2-NZ 2.74Å; D1153-K1176 PolarHBondContact OD2-NZ 2.8Å
1154	Y	96.4	Very high	95.3	Very high	62 Å²	62	53.7 Å²	53.7	24%	0.243	27%	0.274	C	S	.	.			trans	-81.6	-9.2	-180	-77.6	20.1	0	0	0	111.3	I1111 N1112 H1113 F1152 F1158	I1111-Y1154 PolarHBondContact O-OH 3.16Å; N1112-Y1154 WeakPolarHBondContact CA-OH 3.39Å; H1113-Y1154 VanDerWaalsContact CA-CE1 3.45Å; H1113-Y1154 HydrophobicContact CB-CD1 3.63Å; H1113-Y1154 HydrophobicContact CB-CD2 3.98Å; H1113-Y1154 HydrophobicContact CB-CE1 3.65Å; H1113-Y1154 HydrophobicContact CB-CE2 4.03Å; H1113-Y1154 HydrophobicContact CB-CG 3.79Å; H1113-Y1154 VanDerWaalsContact N-CE1 3.28Å; H1113-Y1154 PolarHBondContact N-OH 2.8Å; H1113-Y1154 AromaticContact ND1-CD1 3.88Å; H1113-Y1154 AromaticContact ND1-CG 3.88Å; H1113-Y1154 PolarHBondContact ND1-N 3.47Å; H1113-Y1154 VanDerWaalsContact ND1-N 3.17Å; F1152-Y1154 HydrophobicContact CD1-CD1 4.22Å; F1152-Y1154 AromaticContact CD1-CE1 3.95Å; F1152-Y1154 HydrophobicContact CD1-CE1 3.95Å; F1152-Y1154 AromaticContact CD2-CD1 3.95Å; F1152-Y1154 HydrophobicContact CD2-CD1 3.95Å; F1152-Y1154 HydrophobicContact CD2-CE1 4.46Å; F1152-Y1154 AromaticContact CE1-CD1 3.91Å; F1152-Y1154 HydrophobicContact CE1-CD1 3.91Å; F1152-Y1154 AromaticContact CE1-CE1 3.45Å; F1152-Y1154 HydrophobicContact CE1-CE1 3.45Å; F1152-Y1154 VanDerWaalsContact CE1-CE1 3.45Å; F1152-Y1154 AromaticContact CE2-CD1 3.61Å; F1152-Y1154 HydrophobicContact CE2-CD1 3.61Å; F1152-Y1154 HydrophobicContact CE2-CE1 4.01Å; F1152-Y1154 HydrophobicContact CE2-CG 4.44Å; F1152-Y1154 HydrophobicContact CG-CD1 4.23Å; F1152-Y1154 HydrophobicContact CG-CE1 4.42Å; F1152-Y1154 AromaticContact CZ-CD1 3.58Å; F1152-Y1154 HydrophobicContact CZ-CD1 3.58Å; F1152-Y1154 AromaticContact CZ-CE1 3.47Å; F1152-Y1154 HydrophobicContact CZ-CE1 3.47Å; F1152-Y1154 VanDerWaalsContact CZ-CE1 3.47Å; Y1154-F1158 AromaticContact CD2-CD1 3.67Å; Y1154-F1158 HydrophobicContact CD2-CD1 3.67Å; Y1154-F1158 AromaticContact CD2-CD2 3.72Å; Y1154-F1158 HydrophobicContact CD2-CD2 3.72Å; Y1154-F1158 AromaticContact CD2-CE1 3.62Å; Y1154-F1158 HydrophobicContact CD2-CE1 3.62Å; Y1154-F1158 AromaticContact CD2-CE2 3.65Å; Y1154-F1158 HydrophobicContact CD2-CE2 3.65Å; Y1154-F1158 AromaticContact CD2-CG 3.72Å; Y1154-F1158 HydrophobicContact CD2-CG 3.72Å; Y1154-F1158 AromaticContact CD2-CZ 3.59Å; Y1154-F1158 HydrophobicContact CD2-CZ 3.59Å; Y1154-F1158 HydrophobicContact CE2-CD2 4.36Å; Y1154-F1158 HydrophobicContact CE2-CE1 4.1Å; Y1154-F1158 AromaticContact CE2-CE2 3.86Å; Y1154-F1158 HydrophobicContact CE2-CE2 3.86Å; Y1154-F1158 AromaticContact CE2-CZ 3.7Å; Y1154-F1158 HydrophobicContact CE2-CZ 3.7Å; Y1154-F1158 HydrophobicContact CG-CD1 4.44Å; Y1154-F1158 HydrophobicContact CG-CG 4.44Å
1155	G	92.9	Very high	95	Very high	27 Å²	27	61.4 Å²	61.4	28%	0.278	30%	0.304	S	S	.	.			trans	78.9	162.3	-176.8	0	0	0	0	0	113.3	D1153 R1157 F1158	D1153-G1155 PolarHBondContact OD1-N 2.62Å; G1155-R1157 VanDerWaalsContact C-N 3.3Å; G1155-R1157 PolarHBondContact O-N 2.87Å; G1155-F1158 PolarHBondContact O-N 3.31Å
1156	D	92.7	Very high	94.8	Very high	95 Å²	95	58.8 Å²	58.8	51%	0.508	30%	0.297	S	S	.	.	H	α-helix	trans	-67.5	-28.9	-173.8	-58.9	-62.1	0	0	0	112.4	F1158 W1159 D1160 H1177	D1156-F1158 VanDerWaalsContact C-N 3.33Å; D1156-F1158 PolarHBondContact O-N 2.87Å; D1156-W1159 CarbonylContact O-C 3.6Å; D1156-W1159 PolarHBondContact O-N 2.86Å; D1156-D1160 WeakPolarHBondContact O-CB 3.44Å; D1156-D1160 PolarHBondContact O-N 3.11Å; D1156-H1177 IonicContact OD1-CE1 3.87Å
1157	R	92	Very high	94.7	Very high	116 Å²	116	56.3 Å²	56.3	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-55	-45.2	177.6	-167.5	-168.7	-64.1	-170.9	4.8	112.1	D1088 D1090 G1155 I1161	D1088-R1157 IonicContact OD1-CZ 3.72Å; D1088-R1157 IonicContact OD1-NH1 2.98Å; D1088-R1157 PolarHBondContact OD1-NH1 3.4Å; D1088-R1157 VanDerWaalsContact OD2-CD 3.28Å; D1088-R1157 WeakPolarHBondContact OD2-CD 3.35Å; D1088-R1157 IonicContact OD2-CZ 3.52Å; D1088-R1157 IonicContact OD2-NE 2.74Å; D1088-R1157 PolarHBondContact OD2-NE 3.12Å; D1088-R1157 IonicContact OD2-NH1 3.73Å; D1088-R1157 PolarHBondContact OD2-NH1 3.24Å; D1088-R1157 IonicContact OD2-NH2 3.56Å; D1090-R1157 IonicContact OD1-NH2 2.71Å; D1090-R1157 PolarHBondContact OD1-NH2 3Å; G1155-R1157 VanDerWaalsContact C-N 3.3Å; G1155-R1157 PolarHBondContact O-N 2.87Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.4Å; R1157-I1161 PolarHBondContact O-N 3.37Å
1158	F	94.3	Very high	94.8	Very high	33 Å²	33	54.5 Å²	54.5	15%	0.145	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-47.3	175.2	177.7	-86.4	0	0	0	111.1	Y1154 G1155 D1156 I1161 K1162 F1166	Y1154-F1158 AromaticContact CD2-CD1 3.67Å; Y1154-F1158 HydrophobicContact CD2-CD1 3.67Å; Y1154-F1158 AromaticContact CD2-CD2 3.72Å; Y1154-F1158 HydrophobicContact CD2-CD2 3.72Å; Y1154-F1158 AromaticContact CD2-CE1 3.62Å; Y1154-F1158 HydrophobicContact CD2-CE1 3.62Å; Y1154-F1158 AromaticContact CD2-CE2 3.65Å; Y1154-F1158 HydrophobicContact CD2-CE2 3.65Å; Y1154-F1158 AromaticContact CD2-CG 3.72Å; Y1154-F1158 HydrophobicContact CD2-CG 3.72Å; Y1154-F1158 AromaticContact CD2-CZ 3.59Å; Y1154-F1158 HydrophobicContact CD2-CZ 3.59Å; Y1154-F1158 HydrophobicContact CE2-CD2 4.36Å; Y1154-F1158 HydrophobicContact CE2-CE1 4.1Å; Y1154-F1158 AromaticContact CE2-CE2 3.86Å; Y1154-F1158 HydrophobicContact CE2-CE2 3.86Å; Y1154-F1158 AromaticContact CE2-CZ 3.7Å; Y1154-F1158 HydrophobicContact CE2-CZ 3.7Å; Y1154-F1158 HydrophobicContact CG-CD1 4.44Å; Y1154-F1158 HydrophobicContact CG-CG 4.44Å; G1155-F1158 PolarHBondContact O-N 3.31Å; D1156-F1158 VanDerWaalsContact C-N 3.33Å; D1156-F1158 PolarHBondContact O-N 2.87Å; F1158-I1161 PolarHBondContact O-N 3.46Å; F1158-K1162 HydrophobicContact CD1-CB 4.16Å; F1158-K1162 HydrophobicContact CD1-CG 3.98Å; F1158-K1162 HydrophobicContact CD2-CG 4.06Å; F1158-K1162 HydrophobicContact CE1-CB 3.9Å; F1158-K1162 HydrophobicContact CE1-CG 3.78Å; F1158-K1162 HydrophobicContact CE2-CD 4.32Å; F1158-K1162 HydrophobicContact CE2-CG 3.88Å; F1158-K1162 HydrophobicContact CG-CG 4.13Å; F1158-K1162 HydrophobicContact CZ-CB 4.28Å; F1158-K1162 HydrophobicContact CZ-CD 4.28Å; F1158-K1162 HydrophobicContact CZ-CG 3.74Å; F1158-K1162 VanDerWaalsContact O-CB 3.28Å; F1158-K1162 WeakPolarHBondContact O-CB 3.32Å; F1158-K1162 WeakPolarHBondContact O-CG 3.38Å; F1158-K1162 PolarHBondContact O-N 3.39Å; F1158-F1166 HydrophobicContact CE1-CE2 4.37Å; F1158-F1166 HydrophobicContact CE1-CZ 4.15Å; F1158-F1166 HydrophobicContact CZ-CZ 4.01Å
1159	W	95.2	Very high	94.7	Very high	7 Å²	7	57.4 Å²	57.4	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-32.6	-174.7	-77.3	111.9	0	0	0	113.7	H1113 D1156 I1161 K1162 S1163 F1166 C1168 H1177	H1113-W1159 HydrophobicContact CB-CZ2 4.14Å; H1113-W1159 AromaticContact CD2-CE2 3.7Å; H1113-W1159 AromaticContact CD2-CZ2 3.43Å; H1113-W1159 VanDerWaalsContact CD2-CZ2 3.43Å; H1113-W1159 WeakPolarHBondContact CD2-CZ2 3.11Å; H1113-W1159 AromaticContact CD2-NE1 3.43Å; H1113-W1159 PolarHBondContact CD2-NE1 2.93Å; H1113-W1159 AromaticContact CE1-NE1 3.39Å; H1113-W1159 PolarHBondContact CE1-NE1 3.09Å; H1113-W1159 AromaticContact CG-CE2 3.98Å; H1113-W1159 AromaticContact CG-CZ2 3.79Å; H1113-W1159 AromaticContact CG-NE1 3.54Å; H1113-W1159 AromaticContact ND1-NE1 3.53Å; H1113-W1159 AromaticContact NE2-CE2 3.95Å; H1113-W1159 AromaticContact NE2-NE1 3.33Å; H1113-W1159 PolarHBondContact NE2-NE1 2.87Å; D1156-W1159 CarbonylContact O-C 3.6Å; D1156-W1159 PolarHBondContact O-N 2.86Å; W1159-I1161 VanDerWaalsContact C-N 3.25Å; W1159-I1161 PolarHBondContact O-N 3.08Å; W1159-K1162 PolarHBondContact O-N 3Å; W1159-S1163 WeakPolarHBondContact O-CB 3.25Å; W1159-S1163 PolarHBondContact O-N 3.03Å; W1159-S1163 PolarHBondContact O-OG 2.96Å; W1159-F1166 HydrophobicContact CH2-CD2 4.1Å; W1159-F1166 AromaticContact CH2-CE2 3.68Å; W1159-F1166 HydrophobicContact CH2-CE2 3.68Å; W1159-F1166 AromaticContact CZ3-CD2 3.98Å; W1159-F1166 HydrophobicContact CZ3-CD2 3.98Å; W1159-F1166 AromaticContact CZ3-CE2 3.75Å; W1159-F1166 HydrophobicContact CZ3-CE2 3.75Å; W1159-C1168 HydrophobicContact CH2-CB 3.61Å; W1159-C1168 HydrophobicContact CZ2-CB 3.77Å; W1159-C1168 HydrophobicContact CZ3-CB 4.22Å; W1159-H1177 AromaticContact CD1-CD2 3.38Å; W1159-H1177 AromaticContact CD1-CE1 3.74Å; W1159-H1177 AromaticContact CD1-CG 3.65Å; W1159-H1177 AromaticContact CD1-ND1 3.86Å; W1159-H1177 AromaticContact CD1-NE2 3.5Å; W1159-H1177 HydrophobicContact CD2-CB 3.6Å; W1159-H1177 AromaticContact CD2-CG 3.68Å; W1159-H1177 AromaticContact CE2-CD2 3.98Å; W1159-H1177 HydrophobicContact CE3-CB 3.75Å; W1159-H1177 HydrophobicContact CG-CB 3.93Å; W1159-H1177 AromaticContact CG-CD2 3.72Å; W1159-H1177 AromaticContact CG-CE1 3.83Å; W1159-H1177 AromaticContact CG-CG 3.46Å; W1159-H1177 VanDerWaalsContact CG-CG 3.46Å; W1159-H1177 AromaticContact CG-ND1 3.54Å; W1159-H1177 AromaticContact CG-NE2 3.99Å; W1159-H1177 HydrophobicContact CZ3-CB 4.29Å; W1159-H1177 AromaticContact NE1-CD2 3.51Å; W1159-H1177 AromaticContact NE1-CG 3.95Å
1160	D	93.6	Very high	94.4	Very high	132 Å²	132	56.6 Å²	56.6	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-60.4	-37.2	171.6	-77	-21.7	0	0	0	111.4	D1156	D1156-D1160 WeakPolarHBondContact O-CB 3.44Å; D1156-D1160 PolarHBondContact O-N 3.11Å
1161	I	92.2	Very high	93.9	Very high	65 Å²	65	60.3 Å²	60.3	33%	0.333	31%	0.312	S	S	.	.	H	α-helix	trans	-78	-44.7	176.8	-60.9	169.5	0	0	0	111.3	D1083 R1157 F1158 W1159 K1164	D1083-I1161 WeakPolarHBondContact OD2-CG2 3.47Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.4Å; R1157-I1161 PolarHBondContact O-N 3.37Å; F1158-I1161 PolarHBondContact O-N 3.46Å; W1159-I1161 VanDerWaalsContact C-N 3.25Å; W1159-I1161 PolarHBondContact O-N 3.08Å; I1161-K1164 WeakPolarHBondContact O-CD 3.35Å; I1161-K1164 WeakPolarHBondContact O-CE 3.25Å; I1161-K1164 WeakPolarHBondContact O-CG 3.46Å; I1161-K1164 PolarHBondContact O-NZ 3.32Å
1162	K	94.1	Very high	93.6	Very high	9 Å²	9	61.8 Å²	61.8	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-93.7	-22.9	-165.6	-60.6	-80.6	178.7	-178.9	0	114.9	D1083 S1084 F1158 W1159 K1164 Y1165 F1166	D1083-K1162 VanDerWaalsContact CG-CE 3.48Å; D1083-K1162 WeakPolarHBondContact OD1-CE 3.34Å; D1083-K1162 IonicContact OD1-NZ 3.49Å; D1083-K1162 PolarHBondContact OD1-NZ 3.45Å; D1083-K1162 WeakPolarHBondContact OD2-CE 3.48Å; D1083-K1162 IonicContact OD2-NZ 3.61Å; D1083-K1162 PolarHBondContact OD2-NZ 3.24Å; S1084-K1162 PolarHBondContact OG-NZ 3.44Å; F1158-K1162 HydrophobicContact CD1-CB 4.16Å; F1158-K1162 HydrophobicContact CD1-CG 3.98Å; F1158-K1162 HydrophobicContact CD2-CG 4.06Å; F1158-K1162 HydrophobicContact CE1-CB 3.9Å; F1158-K1162 HydrophobicContact CE1-CG 3.78Å; F1158-K1162 HydrophobicContact CE2-CD 4.32Å; F1158-K1162 HydrophobicContact CE2-CG 3.88Å; F1158-K1162 HydrophobicContact CG-CG 4.13Å; F1158-K1162 HydrophobicContact CZ-CB 4.28Å; F1158-K1162 HydrophobicContact CZ-CD 4.28Å; F1158-K1162 HydrophobicContact CZ-CG 3.74Å; F1158-K1162 VanDerWaalsContact O-CB 3.28Å; F1158-K1162 WeakPolarHBondContact O-CB 3.32Å; F1158-K1162 WeakPolarHBondContact O-CG 3.38Å; F1158-K1162 PolarHBondContact O-N 3.39Å; W1159-K1162 PolarHBondContact O-N 3Å; K1162-K1164 PolarHBondContact O-N 3.47Å; K1162-Y1165 HydrophobicContact CD-CD2 4.49Å; K1162-Y1165 PolarHBondContact O-N 2.99Å; K1162-F1166 HydrophobicContact CB-CE1 4.1Å; K1162-F1166 HydrophobicContact CB-CE2 4.46Å; K1162-F1166 HydrophobicContact CB-CZ 3.86Å; K1162-F1166 HydrophobicContact CD-CE1 4.08Å; K1162-F1166 HydrophobicContact CD-CZ 4.24Å; K1162-F1166 HydrophobicContact CG-CZ 4.32Å; K1162-F1166 PolarHBondContact O-N 3.05Å
1163	S	92.3	Very high	93.3	Very high	36 Å²	36	70 Å²	70	25%	0.252	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.3	-179.3	-64.6	0	0	0	0	114.3	W1159 Y1165 F1166	W1159-S1163 WeakPolarHBondContact O-CB 3.25Å; W1159-S1163 PolarHBondContact O-N 3.03Å; W1159-S1163 PolarHBondContact O-OG 2.96Å; S1163-Y1165 VanDerWaalsContact C-N 3.33Å; S1163-F1166 CarbonylContact C-O 3.55Å; S1163-F1166 VanDerWaalsContact CA-O 3.3Å; S1163-F1166 WeakPolarHBondContact CA-O 3.42Å
1164	K	91.3	Very high	93.1	Very high	132 Å²	132	73 Å²	73	57%	0.574	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-14	175.8	75.1	-159.8	-177.6	-130.7	0	114.1	I1161 K1162	I1161-K1164 WeakPolarHBondContact O-CD 3.35Å; I1161-K1164 WeakPolarHBondContact O-CE 3.25Å; I1161-K1164 WeakPolarHBondContact O-CG 3.46Å; I1161-K1164 PolarHBondContact O-NZ 3.32Å; K1162-K1164 PolarHBondContact O-N 3.47Å
1165	Y	92.5	Very high	93	Very high	164 Å²	164	71 Å²	71	64%	0.643	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-41.9	179.8	-57.4	-52.5	0	0	0	112.1	K1162 S1163	K1162-Y1165 HydrophobicContact CD-CD2 4.49Å; K1162-Y1165 PolarHBondContact O-N 2.99Å; S1163-Y1165 VanDerWaalsContact C-N 3.33Å
1166	F	94.3	Very high	93	Very high	100 Å²	100	74.9 Å²	74.9	44%	0.439	38%	0.376	S	S	.	.			trans	-150.3	165.2	176.7	59.8	-94.3	0	0	0	110.8	F1158 W1159 K1162 S1163	F1158-F1166 HydrophobicContact CE1-CE2 4.37Å; F1158-F1166 HydrophobicContact CE1-CZ 4.15Å; F1158-F1166 HydrophobicContact CZ-CZ 4.01Å; W1159-F1166 HydrophobicContact CH2-CD2 4.1Å; W1159-F1166 AromaticContact CH2-CE2 3.68Å; W1159-F1166 HydrophobicContact CH2-CE2 3.68Å; W1159-F1166 AromaticContact CZ3-CD2 3.98Å; W1159-F1166 HydrophobicContact CZ3-CD2 3.98Å; W1159-F1166 AromaticContact CZ3-CE2 3.75Å; W1159-F1166 HydrophobicContact CZ3-CE2 3.75Å; K1162-F1166 HydrophobicContact CB-CE1 4.1Å; K1162-F1166 HydrophobicContact CB-CE2 4.46Å; K1162-F1166 HydrophobicContact CB-CZ 3.86Å; K1162-F1166 HydrophobicContact CD-CE1 4.08Å; K1162-F1166 HydrophobicContact CD-CZ 4.24Å; K1162-F1166 HydrophobicContact CG-CZ 4.32Å; K1162-F1166 PolarHBondContact O-N 3.05Å; S1163-F1166 CarbonylContact C-O 3.55Å; S1163-F1166 VanDerWaalsContact CA-O 3.3Å; S1163-F1166 WeakPolarHBondContact CA-O 3.42Å
1167	T	94.5	Very high	93.1	Very high	37 Å²	37	71.1 Å²	71.1	23%	0.227	36%	0.355	C	S	.	.			trans	-121.3	151.1	177.7	63.5	0	0	0	0	111.1	Q1169 H1177 A1179 I1182	T1167-Q1169 PolarHBondContact O-N 3.32Å; T1167-Q1169 PolarHBondContact O-NE2 3.2Å; T1167-H1177 WeakPolarHBondContact CB-O 3.48Å; T1167-A1179 HydrophobicContact CG2-CB 4.07Å; T1167-A1179 PolarHBondContact OG1-N 3.45Å; T1167-I1182 HydrophobicContact CG2-CD1 3.99Å
1168	C	96.4	Very high	93.1	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.061	34%	0.34	C	S	.	.			trans	-57	132.1	-172.8	-179.1	0	0	0	0	112.8	H1113 W1159 C1170 C1175 H1177	H1113-C1168 VanDerWaalsContact CD2-SG 3.57Å; W1159-C1168 HydrophobicContact CH2-CB 3.61Å; W1159-C1168 HydrophobicContact CZ2-CB 3.77Å; W1159-C1168 HydrophobicContact CZ3-CB 4.22Å; C1168-C1170 VanDerWaalsContact SG-CB 3.56Å; C1168-C1175 VanDerWaalsContact SG-SG 3.66Å; C1168-H1177 HydrophobicContact CB-CB 3.93Å; C1168-H1177 WeakPolarHBondContact CB-O 3.47Å; C1168-H1177 PolarHBondContact N-O 2.84Å
1169	Q	94.8	Very high	92.9	Very high	82 Å²	82	67.5 Å²	67.5	38%	0.383	36%	0.355	S	S	.	.			trans	-108.1	13.5	-179.1	-61.9	-57	-57	0	0	113.4	K1047 M1048 T1167 G1171	K1047-Q1169 HydrophobicContact CB-CB 4.2Å; K1047-Q1169 HydrophobicContact CB-CG 4.46Å; K1047-Q1169 HydrophobicContact CD-CB 4.31Å; M1048-Q1169 HydrophobicContact CG-CB 3.93Å; M1048-Q1169 HydrophobicContact SD-CB 4.23Å; T1167-Q1169 PolarHBondContact O-N 3.32Å; T1167-Q1169 PolarHBondContact O-NE2 3.2Å; Q1169-G1171 PolarHBondContact O-N 3.36Å
1170	C	92.6	Very high	92.7	Very high	20 Å²	20	75.1 Å²	75.1	14%	0.135	39%	0.391	C	S	.	.			trans	-64.5	-6.6	-171.6	77.9	0	0	0	0	115.6	L1114 C1168 S1172	L1114-C1170 HydrophobicContact CD2-CB 3.68Å; C1168-C1170 VanDerWaalsContact SG-CB 3.56Å; C1170-S1172 PolarHBondContact O-N 3.19Å
1171	G	87.9	Confident	92.6	Very high	78 Å²	78	69.9 Å²	69.9	80%	0.804	37%	0.366	S	S	*	.			trans	67.1	3.3	175.7	0	0	0	0	0	116.3	Q1169	Q1169-G1171 PolarHBondContact O-N 3.36Å
1172	S	92.1	Very high	92.4	Very high	31 Å²	31	68.8 Å²	68.8	22%	0.217	36%	0.361	C	S	.	.			trans	-75.1	136.6	-179.3	-179.7	0	0	0	0	111.5	C1170 K1174 C1175	C1170-S1172 PolarHBondContact O-N 3.19Å; S1172-K1174 PolarHBondContact O-N 3.36Å; S1172-K1174 VanDerWaalsContact O-N 3.09Å; S1172-K1174 PolarHBondContact OG-N 2.9Å; S1172-C1175 VanDerWaalsContact O-CB 3.23Å; S1172-C1175 WeakPolarHBondContact O-CB 3.09Å; S1172-C1175 PolarHBondContact O-N 3.4Å
1173	E	90.9	Very high	92.2	Very high	183 Å²	183	71 Å²	71	86%	0.855	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.6	169.4	68.9	-176	-178.6	0	0	113.1
1174	K	92.6	Very high	92.1	Very high	115 Å²	115	75.2 Å²	75.2	50%	0.5	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.2	179.5	-46	179.1	-160.1	157.8	0	112.6	D1116 S1172 K1176	D1116-K1174 WeakPolarHBondContact OD1-CD 3.47Å; D1116-K1174 IonicContact OD1-NZ 3.23Å; D1116-K1174 PolarHBondContact OD1-NZ 3.15Å; S1172-K1174 PolarHBondContact O-N 3.36Å; S1172-K1174 VanDerWaalsContact O-N 3.09Å; S1172-K1174 PolarHBondContact OG-N 2.9Å; K1174-K1176 PolarHBondContact O-N 3.4Å
1175	C	94.1	Very high	91.9	Very high	21 Å²	21	72.7 Å²	72.7	14%	0.142	39%	0.39	C	S	.	.			trans	-62.9	125.1	-177.1	-169.3	0	0	0	0	111.5	C1115 C1168 S1172 S1178 A1181	C1115-C1175 PolarHBondContact SG-SG 2.88Å; C1168-C1175 VanDerWaalsContact SG-SG 3.66Å; S1172-C1175 VanDerWaalsContact O-CB 3.23Å; S1172-C1175 WeakPolarHBondContact O-CB 3.09Å; S1172-C1175 PolarHBondContact O-N 3.4Å; C1175-S1178 PolarHBondContact SG-N 2.78Å; C1175-S1178 VanDerWaalsContact SG-N 3.38Å; C1175-A1181 VanDerWaalsContact O-CB 3.25Å; C1175-A1181 WeakPolarHBondContact O-CB 3.35Å
1176	K	93.5	Very high	91.7	Very high	107 Å²	107	70.8 Å²	70.8	47%	0.465	39%	0.387	S	S	.	.	S	Bend	trans	-90	-27	177.3	-51.9	172.4	-165.9	156.2	0	113	D1153 K1174 A1181	D1153-K1176 IonicContact OD2-NZ 2.74Å; D1153-K1176 PolarHBondContact OD2-NZ 2.8Å; K1174-K1176 PolarHBondContact O-N 3.4Å; K1176-A1181 VanDerWaalsContact O-CB 3.29Å; K1176-A1181 WeakPolarHBondContact O-CB 3.32Å
1177	H	93.7	Very high	91.3	Very high	16 Å²	16	68.3 Å²	68.3	7%	0.074	38%	0.382	C	S	.	.	S	Bend	trans	-117.5	16.5	-165.9	-41.7	-78	0	0	0	113.3	H1113 D1156 W1159 T1167 C1168	H1113-H1177 AromaticContact NE2-CD2 3.86Å; D1156-H1177 IonicContact OD1-CE1 3.87Å; W1159-H1177 AromaticContact CD1-CD2 3.38Å; W1159-H1177 AromaticContact CD1-CE1 3.74Å; W1159-H1177 AromaticContact CD1-CG 3.65Å; W1159-H1177 AromaticContact CD1-ND1 3.86Å; W1159-H1177 AromaticContact CD1-NE2 3.5Å; W1159-H1177 HydrophobicContact CD2-CB 3.6Å; W1159-H1177 AromaticContact CD2-CG 3.68Å; W1159-H1177 AromaticContact CE2-CD2 3.98Å; W1159-H1177 HydrophobicContact CE3-CB 3.75Å; W1159-H1177 HydrophobicContact CG-CB 3.93Å; W1159-H1177 AromaticContact CG-CD2 3.72Å; W1159-H1177 AromaticContact CG-CE1 3.83Å; W1159-H1177 AromaticContact CG-CG 3.46Å; W1159-H1177 VanDerWaalsContact CG-CG 3.46Å; W1159-H1177 AromaticContact CG-ND1 3.54Å; W1159-H1177 AromaticContact CG-NE2 3.99Å; W1159-H1177 HydrophobicContact CZ3-CB 4.29Å; W1159-H1177 AromaticContact NE1-CD2 3.51Å; W1159-H1177 AromaticContact NE1-CG 3.95Å; T1167-H1177 WeakPolarHBondContact CB-O 3.48Å; C1168-H1177 HydrophobicContact CB-CB 3.93Å; C1168-H1177 WeakPolarHBondContact CB-O 3.47Å; C1168-H1177 PolarHBondContact N-O 2.84Å
1178	S	92.2	Very high	91	Very high	18 Å²	18	72.6 Å²	72.6	13%	0.126	39%	0.394	C	S	.	.	S	Bend	trans	-74.3	159.3	169.3	66.3	0	0	0	0	110.5	C1175 E1180 A1181 I1182	C1175-S1178 PolarHBondContact SG-N 2.78Å; C1175-S1178 VanDerWaalsContact SG-N 3.38Å; S1178-E1180 PolarHBondContact O-N 2.73Å; S1178-A1181 PolarHBondContact O-N 2.96Å; S1178-A1181 VanDerWaalsContact O-N 3.16Å; S1178-A1181 WeakPolarHBondContact OG-CB 3.27Å; S1178-A1181 PolarHBondContact OG-N 2.59Å; S1178-A1181 VanDerWaalsContact OG-N 3.13Å; S1178-I1182 WeakPolarHBondContact O-CB 3.35Å; S1178-I1182 VanDerWaalsContact O-CG1 3.31Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.42Å; S1178-I1182 PolarHBondContact O-N 3.5Å
1179	A	91.1	Very high	90.5	Very high	56 Å²	56	76.7 Å²	76.7	46%	0.463	42%	0.415	S	S	.	.	H	α-helix	trans	-54.7	-34.3	173.2	0	0	0	0	0	112.4	T1167 A1183	T1167-A1179 HydrophobicContact CG2-CB 4.07Å; T1167-A1179 PolarHBondContact OG1-N 3.45Å; A1179-A1183 WeakPolarHBondContact O-CB 3.28Å; A1179-A1183 PolarHBondContact O-N 3.44Å
1180	E	90	Very high	89.7	Confident	166 Å²	166	76.3 Å²	76.3	78%	0.776	43%	0.426	S	S	*	.	H	α-helix	trans	-68.2	-46.2	177.6	-61.7	173.7	167.7	0	0	112	S1178 A1183 L1184	S1178-E1180 PolarHBondContact O-N 2.73Å; E1180-A1183 PolarHBondContact O-N 2.95Å; E1180-L1184 WeakPolarHBondContact O-CB 3.27Å; E1180-L1184 PolarHBondContact O-N 2.95Å
1181	A	90.7	Very high	88.9	Confident	22 Å²	22	85.3 Å²	85.3	18%	0.182	46%	0.457	C	S	.	.	H	α-helix	trans	-67.9	-43.5	179.3	0	0	0	0	0	112.1	C1175 K1176 S1178 L1184 E1185	C1175-A1181 VanDerWaalsContact O-CB 3.25Å; C1175-A1181 WeakPolarHBondContact O-CB 3.35Å; K1176-A1181 VanDerWaalsContact O-CB 3.29Å; K1176-A1181 WeakPolarHBondContact O-CB 3.32Å; S1178-A1181 PolarHBondContact O-N 2.96Å; S1178-A1181 VanDerWaalsContact O-N 3.16Å; S1178-A1181 WeakPolarHBondContact OG-CB 3.27Å; S1178-A1181 PolarHBondContact OG-N 2.59Å; S1178-A1181 VanDerWaalsContact OG-N 3.13Å; A1181-L1184 WeakPolarHBondContact O-CB 3.39Å; A1181-L1184 PolarHBondContact O-N 3.47Å; A1181-E1185 PolarHBondContact O-N 2.92Å
1182	I	89.6	Confident	88.1	Confident	43 Å²	43	87 Å²	87	22%	0.221	45%	0.447	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.9	-65.6	167.3	0	0	0	110.2	T1167 S1178 E1185 Q1186	T1167-I1182 HydrophobicContact CG2-CD1 3.99Å; S1178-I1182 WeakPolarHBondContact O-CB 3.35Å; S1178-I1182 VanDerWaalsContact O-CG1 3.31Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.42Å; S1178-I1182 PolarHBondContact O-N 3.5Å; I1182-E1185 PolarHBondContact O-N 3.36Å; I1182-Q1186 WeakPolarHBondContact O-CB 3.27Å; I1182-Q1186 VanDerWaalsContact O-CG 3.29Å; I1182-Q1186 WeakPolarHBondContact O-CG 3.38Å; I1182-Q1186 PolarHBondContact O-N 3.48Å
1183	A	89	Confident	86.1	Confident	54 Å²	54	92.1 Å²	92.1	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-36.6	176.4	0	0	0	0	0	112.7	A1179 E1180 S1187	A1179-A1183 WeakPolarHBondContact O-CB 3.28Å; A1179-A1183 PolarHBondContact O-N 3.44Å; E1180-A1183 PolarHBondContact O-N 2.95Å; A1183-S1187 VanDerWaalsContact O-CB 3.31Å; A1183-S1187 WeakPolarHBondContact O-CB 3.24Å; A1183-S1187 PolarHBondContact O-N 3.07Å
1184	L	90	Very high	83.9	Confident	125 Å²	125	88.5 Å²	88.5	65%	0.654	46%	0.464	S	S	*	.	H	α-helix	trans	-60.7	-48.8	174.6	-167.7	89.3	0	0	0	110.5	E1180 A1181 S1187 R1188	E1180-L1184 WeakPolarHBondContact O-CB 3.27Å; E1180-L1184 PolarHBondContact O-N 2.95Å; A1181-L1184 WeakPolarHBondContact O-CB 3.39Å; A1181-L1184 PolarHBondContact O-N 3.47Å; L1184-S1187 CarbonylContact O-C 3.55Å; L1184-S1187 WeakPolarHBondContact O-CB 3.23Å; L1184-S1187 PolarHBondContact O-N 2.89Å; L1184-S1187 PolarHBondContact O-OG 3.39Å; L1184-R1188 PolarHBondContact O-N 3.36Å
1185	E	88.1	Confident	81.4	Confident	79 Å²	79	92.4 Å²	92.4	37%	0.369	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-41.4	-178.8	-176.8	56.1	-161	0	0	112.3	A1181 I1182 S1187 R1188 L1189	A1181-E1185 PolarHBondContact O-N 2.92Å; I1182-E1185 PolarHBondContact O-N 3.36Å; E1185-S1187 VanDerWaalsContact C-N 3.27Å; E1185-S1187 PolarHBondContact O-N 2.62Å; E1185-R1188 VanDerWaalsContact CD-NE 3.3Å; E1185-R1188 WeakPolarHBondContact O-CA 3.24Å; E1185-R1188 WeakPolarHBondContact O-CB 3.19Å; E1185-R1188 PolarHBondContact O-N 3.02Å; E1185-R1188 IonicContact OE1-CZ 2.71Å; E1185-R1188 VanDerWaalsContact OE1-CZ 3.26Å; E1185-R1188 IonicContact OE1-NE 3.39Å; E1185-R1188 PolarHBondContact OE1-NE 2.96Å; E1185-R1188 VanDerWaalsContact OE1-NE 3.07Å; E1185-R1188 IonicContact OE1-NH2 3.67Å; E1185-R1188 PolarHBondContact OE1-NH2 3.01Å; E1185-R1188 WeakPolarHBondContact OE2-CD 3.15Å; E1185-R1188 IonicContact OE2-CZ 2.74Å; E1185-R1188 IonicContact OE2-NE 2.82Å; E1185-R1188 PolarHBondContact OE2-NE 2.74Å; E1185-R1188 IonicContact OE2-NH2 3.65Å; E1185-L1189 WeakPolarHBondContact O-CG 3.26Å; E1185-L1189 PolarHBondContact O-N 3.45Å
1186	Q	87.1	Confident	79.1	Confident	124 Å²	124	96.8 Å²	96.8	58%	0.579	51%	0.512	S	S	*	.	H	α-helix	trans	-57.6	-40.8	169.7	-73.1	177.2	9.4	0	0	111.7	I1182 R1188 L1189 A1190	I1182-Q1186 WeakPolarHBondContact O-CB 3.27Å; I1182-Q1186 VanDerWaalsContact O-CG 3.29Å; I1182-Q1186 WeakPolarHBondContact O-CG 3.38Å; I1182-Q1186 PolarHBondContact O-N 3.48Å; Q1186-R1188 VanDerWaalsContact C-N 3.3Å; Q1186-R1188 PolarHBondContact O-N 3.09Å; Q1186-L1189 PolarHBondContact O-N 3.39Å; Q1186-A1190 VanDerWaalsContact O-CB 3.31Å; Q1186-A1190 WeakPolarHBondContact O-CB 3.32Å; Q1186-A1190 PolarHBondContact O-N 3.16Å
1187	S	87.3	Confident	76.6	Confident	49 Å²	49	100.4 Å²	100.4	34%	0.343	53%	0.53	S	S	.	.	H	α-helix	trans	-69.3	-26.8	175.3	87	0	0	0	0	113.3	A1183 L1184 E1185 R1191	A1183-S1187 VanDerWaalsContact O-CB 3.31Å; A1183-S1187 WeakPolarHBondContact O-CB 3.24Å; A1183-S1187 PolarHBondContact O-N 3.07Å; L1184-S1187 CarbonylContact O-C 3.55Å; L1184-S1187 WeakPolarHBondContact O-CB 3.23Å; L1184-S1187 PolarHBondContact O-N 2.89Å; L1184-S1187 PolarHBondContact O-OG 3.39Å; E1185-S1187 VanDerWaalsContact C-N 3.27Å; E1185-S1187 PolarHBondContact O-N 2.62Å; S1187-R1191 WeakPolarHBondContact O-CD 3.47Å; S1187-R1191 WeakPolarHBondContact O-CG 3.38Å; S1187-R1191 PolarHBondContact O-N 3.07Å
1188	R	88	Confident	74	Confident	127 Å²	127	107.8 Å²	107.8	48%	0.479	57%	0.57	S	S	.	*	H	α-helix	trans	-71.2	-46.3	174.2	-166.6	-172	72	81.7	2.2	110.4	L1184 E1185 Q1186 R1191 L1192	L1184-R1188 PolarHBondContact O-N 3.36Å; E1185-R1188 VanDerWaalsContact CD-NE 3.3Å; E1185-R1188 WeakPolarHBondContact O-CA 3.24Å; E1185-R1188 WeakPolarHBondContact O-CB 3.19Å; E1185-R1188 PolarHBondContact O-N 3.02Å; E1185-R1188 IonicContact OE1-CZ 2.71Å; E1185-R1188 VanDerWaalsContact OE1-CZ 3.26Å; E1185-R1188 IonicContact OE1-NE 3.39Å; E1185-R1188 PolarHBondContact OE1-NE 2.96Å; E1185-R1188 VanDerWaalsContact OE1-NE 3.07Å; E1185-R1188 IonicContact OE1-NH2 3.67Å; E1185-R1188 PolarHBondContact OE1-NH2 3.01Å; E1185-R1188 WeakPolarHBondContact OE2-CD 3.15Å; E1185-R1188 IonicContact OE2-CZ 2.74Å; E1185-R1188 IonicContact OE2-NE 2.82Å; E1185-R1188 PolarHBondContact OE2-NE 2.74Å; E1185-R1188 IonicContact OE2-NH2 3.65Å; Q1186-R1188 VanDerWaalsContact C-N 3.3Å; Q1186-R1188 PolarHBondContact O-N 3.09Å; R1188-R1191 PolarHBondContact O-N 2.7Å; R1188-L1192 WeakPolarHBondContact O-CG 3.31Å
1189	L	84.3	Confident	71.6	Confident	94 Å²	94	114.8 Å²	114.8	49%	0.492	61%	0.605	S	S	.	*	H	α-helix	trans	-63.5	-47.3	175.9	-65.6	172.9	0	0	0	111.5	E1185 Q1186 R1191 L1192	E1185-L1189 WeakPolarHBondContact O-CG 3.26Å; E1185-L1189 PolarHBondContact O-N 3.45Å; Q1186-L1189 PolarHBondContact O-N 3.39Å; L1189-R1191 PolarHBondContact O-N 3.08Å; L1189-R1191 VanDerWaalsContact O-N 3.08Å; L1189-L1192 PolarHBondContact O-N 3.25Å
1190	A	79.6	Confident	69.1	Low	75 Å²	75	117.5 Å²	117.5	62%	0.62	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-14.7	177.9	0	0	0	0	0	114.6	Q1186	Q1186-A1190 VanDerWaalsContact O-CB 3.31Å; Q1186-A1190 WeakPolarHBondContact O-CB 3.32Å; Q1186-A1190 PolarHBondContact O-N 3.16Å
1191	R	76.1	Confident	66.6	Low	209 Å²	209	118.3 Å²	118.3	79%	0.789	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-7.6	172.3	-75.1	172.4	-174.2	-157.7	5.1	113.9	S1187 R1188 L1189	S1187-R1191 WeakPolarHBondContact O-CD 3.47Å; S1187-R1191 WeakPolarHBondContact O-CG 3.38Å; S1187-R1191 PolarHBondContact O-N 3.07Å; R1188-R1191 PolarHBondContact O-N 2.7Å; L1189-R1191 PolarHBondContact O-N 3.08Å; L1189-R1191 VanDerWaalsContact O-N 3.08Å
1192	L	70.5	Confident	64.2	Low	112 Å²	112	124.9 Å²	124.9	59%	0.586	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-12.4	-179.6	-68.8	167.5	0	0	0	112.9	R1188 L1189 P1194	R1188-L1192 WeakPolarHBondContact O-CG 3.31Å; L1189-L1192 PolarHBondContact O-N 3.25Å; L1192-P1194 WeakPolarHBondContact O-CD 3.37Å
1193	D	48.8	Very low	61.8	Low	139 Å²	139	126 Å²	126	74%	0.743	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-75.5	117.9	176.7	-113.1	-29.2	0	0	0	112
1194	P	45.6	Very low	59.6	Low	107 Å²	107	128.6 Å²	128.6	70%	0.695	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-90.1	121.3	177.9	0.4	19.7	0	0	0	111.4	L1192 P1196	L1192-P1194 WeakPolarHBondContact O-CD 3.37Å; P1194-P1196 VanDerWaalsContact O-CD 3.24Å; P1194-P1196 WeakPolarHBondContact O-CD 3.44Å
1195	H	40.6	Very low	57.4	Low	197 Å²	197	130.5 Å²	130.5	91%	0.912	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-52.2	124.1	176.6	-104.4	-34.5	0	0	0	114
1196	P	46	Very low	55.4	Low	113 Å²	113	131.9 Å²	131.9	73%	0.734	72%	0.715	S	S	*	*			trans	-89.7	115.3	163.2	-7.5	27.7	0	0	0	111.8	P1194	P1194-P1196 VanDerWaalsContact O-CD 3.24Å; P1194-P1196 WeakPolarHBondContact O-CD 3.44Å
1197	E	39.9	Very low	53.8	Low	183 Å²	183	131.4 Å²	131.4	86%	0.855	72%	0.723	S	S	*	*			trans	55.3	120.3	146.1	-53.2	-165.1	136.9	0	0	122.1
1198	L	38.9	Very low	51.8	Low	172 Å²	172	134.9 Å²	134.9	90%	0.901	74%	0.742	S	S	*	*			trans	-87.6	104.8	162.4	-79.5	161.6	0	0	0	111.1
1199	L	42	Very low	49.8	Very low	165 Å²	165	135.7 Å²	135.7	86%	0.864	76%	0.756	S	S	*	*			trans	-146.3	116.4	159.5	-82.4	-176.9	0	0	0	111.6
1200	P	38.3	Very low	47.7	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	80%	0.796	S	S	*	*			trans	-101.2	137	179.9	35.8	-31.2	0	0	0	114.2
1201	E	37.3	Very low	46.1	Very low	182 Å²	182	144.9 Å²	144.9	85%	0.85	81%	0.805	S	S	*	*			trans	62.9	157.9	164.3	-53.8	-168.6	165.6	0	0	116.5
1202	L	40.5	Very low	44.5	Very low	160 Å²	160	141.5 Å²	141.5	84%	0.838	81%	0.806	S	S	*	*			cis	-151.3	157.4	7.6	-164.8	71.3	0	0	0	109.2
1203	G	39	Very low	43	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	82%	0.818	S	S	*	*			trans	112.7	91.8	151.5	0	0	0	0	0	118.2
1204	S	43.7	Very low	42.7	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	82%	0.822	S	S	*	*			trans	-23.6	140.6	155.3	55	0	0	0	0	118.8
1205	L	43.4	Very low	42.5	Very low	165 Å²	165	145.7 Å²	145.7	86%	0.864	83%	0.83	S	S	*	*				-163.8	154.3	100.4	-94.3	171	0	0	0	110.7
1206	P	47.4	Very low	42.6	Very low	108 Å²	108	142.3 Å²	142.3	70%	0.701	83%	0.825	S	S	*	*			trans	-105.7	-170.7	-168.8	47.8	-40.4	0	0	0	111.8
1207	P	52.8	Low	42.4	Very low	114 Å²	114	144.4 Å²	144.4	74%	0.74	83%	0.831	S	S	*	*				-131	-145.2	-102.6	33.6	-8.9	0	0	0	112.3
1208	V	45.2	Very low	42.6	Very low	122 Å²	122	141.4 Å²	141.4	74%	0.739	83%	0.829	S	S	*	*			trans	78.5	117.3	170.1	-173.6	0	0	0	0	113
1209	N	46	Very low	42.9	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	82%	0.823	S	S	*	*			cis	-166	124	48.6	-143.8	-0	0	0	0	113.9
1210	T	39.1	Very low	43	Very low	217 Å²	217	136.5 Å²	136.5	100%	1.331	82%	0.82	S	S	*	*			trans	-169.4	0	140.8	40.7	0	0	0	0	107.7

Retrieved 1,210 of 1,210 residues in 1422.8 ms (Link to these results)

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