RANB9_HUMAN Loading...

Ran-binding protein 9

May act as scaffolding protein, and as adapter protein to couple membrane receptors to intracellular signaling pathways (Probable). Acts as a mediator of cell spreading and actin cytoskeleton rearrangement¹. Core component of the CTLH E3 ubiquitin-protein ligase complex that selectively accepts ubiquitin from UBE2H and mediates ubiquitination and subsequent proteasomal degradation of the transcription factor HBP1². May be involved in signaling of ITGB2/LFA-1 and other integrins³. Enhances HGF-MET signaling by recruiting Sos and activating the Ras pathway⁴. Enhances dihydrotestosterone-induced transactivation activity of AR, as well as dexamethasone-induced transactivation activity of NR3C1, but not affect estrogen-induced transactivation^5,6. Stabilizes TP73 isoform Alpha, probably by inhibiting its ubiquitination, and increases its proapoptotic activity⁷. Inhibits the kinase activity of DYRK1A and DYRK1B. Inhibits FMR1 binding to RNA.

AlphaFold DB , UniProt , Accession Q96S59, Species HUMAN (Homo sapiens, Human), Gene RANBP9, Length 729 aa.

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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	45.7	Very low	59.2	Low	243 Å²	243	139.9 Å²	139.9	100%	1.197	84%	0.843	S	S	*	*				0	119.3	0	-80.4	169.9	159.4	0	0	106.5
2	S	45.9	Very low	57.9	Low	125 Å²	125	143.7 Å²	143.7	87%	0.874	84%	0.844	S	S	*	*			trans	-136.4	107.1	-163.7	-47.6	0	0	0	0	109.3
3	G	55.1	Low	56.5	Low	80 Å²	80	146.9 Å²	146.9	83%	0.825	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-88	130.1	174.8	0	0	0	0	0	110.7
4	Q	61.3	Low	55.2	Low	191 Å²	191	150.1 Å²	150.1	89%	0.893	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-78.3	144.8	167.4	-74.7	-179.4	-50.8	0	0	110.5
5	P	71.8	Confident	54.1	Low	113 Å²	113	150.7 Å²	150.7	73%	0.734	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-71.8	154.1	164.1	32.4	-34.2	0	0	0	110.8
6	P	70.2	Confident	53	Low	118 Å²	118	152.6 Å²	152.6	77%	0.766	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-70.4	154.9	176	30.2	-35.2	0	0	0	112.3
7	P	68.6	Low	52.1	Low	117 Å²	117	152.8 Å²	152.8	76%	0.76	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-74	156.6	179.3	31.4	-35.9	0	0	0	112.8
8	P	69.6	Low	51	Low	116 Å²	116	154.7 Å²	154.7	75%	0.753	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.8	153.6	175.8	31	-35.7	0	0	0	112.5
9	P	67	Low	50.4	Low	121 Å²	121	154.8 Å²	154.8	79%	0.786	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-70.2	153.1	175.6	30.1	-35.1	0	0	0	112
10	P	55.1	Low	49.7	Very low	115 Å²	115	152.5 Å²	152.5	75%	0.747	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-75	144.4	-174.7	30.5	-35.6	0	0	0	113.1	Q12	P10-Q12 PolarHBondContact O-N 3.44Å
11	Q	41.3	Very low	49.4	Very low	200 Å²	200	150.7 Å²	150.7	94%	0.935	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-69	117.8	167.7	-69.2	177	-28.2	0	0	110
12	Q	43.3	Very low	49.5	Very low	185 Å²	185	144.5 Å²	144.5	86%	0.864	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.9	125.7	166.2	-74	-172.8	-16.2	0	0	110	P10 Q14	P10-Q12 PolarHBondContact O-N 3.44Å; Q12-Q14 PolarHBondContact O-N 3.43Å
13	Q	39.1	Very low	49.2	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.1	123	168.3	-70	175.6	-37.2	0	0	109.3	Q15	Q13-Q15 PolarHBondContact O-N 3.01Å; Q13-Q15 VanDerWaalsContact O-N 3.09Å
14	Q	39.6	Very low	48.5	Very low	191 Å²	191	146.4 Å²	146.4	89%	0.893	80%	0.802	S	S	*	*			trans	-70.9	102.3	168.1	-76.1	-176.7	-21.9	0	0	109.6	Q12 Q16	Q12-Q14 PolarHBondContact O-N 3.43Å; Q14-Q16 PolarHBondContact O-N 3.28Å
15	Q	37.8	Very low	47.4	Very low	160 Å²	160	141.7 Å²	141.7	75%	0.748	80%	0.796	S	S	*	*			trans	-72.5	114	159.1	-73.8	-174.4	-8.4	0	0	108.4	Q13 Q17	Q13-Q15 PolarHBondContact O-N 3.01Å; Q13-Q15 VanDerWaalsContact O-N 3.09Å; Q15-Q17 PolarHBondContact O-N 3.1Å
16	Q	36	Very low	45.5	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	80%	0.802	S	S	*	*			trans	-69.4	94.5	169.7	-71.2	179.7	-12.6	0	0	109.5	Q14 Q18	Q14-Q16 PolarHBondContact O-N 3.28Å; Q16-Q18 PolarHBondContact O-N 3.39Å
17	Q	38.4	Very low	43.9	Very low	156 Å²	156	143.1 Å²	143.1	73%	0.729	80%	0.804	S	S	*	*			trans	-77.7	111	165	-66.6	-171	10.4	0	0	108.5	Q15 L19	Q15-Q17 PolarHBondContact O-N 3.1Å; Q17-L19 PolarHBondContact O-N 3.46Å
18	Q	32.4	Very low	42.3	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	80%	0.798	S	S	*	*			trans	-67.9	100.8	171.6	-69.5	-179.8	-9.8	0	0	109.2	Q16	Q16-Q18 PolarHBondContact O-N 3.39Å
19	L	39.7	Very low	40.7	Very low	157 Å²	157	141.3 Å²	141.3	82%	0.822	80%	0.799	S	S	*	*			trans	-85.5	108.8	166.3	-74.8	171.6	0	0	0	108.7	Q17	Q17-L19 PolarHBondContact O-N 3.46Å
20	S	35.4	Very low	39.2	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-57.5	135.2	173.4	-50.8	0	0	0	0	110.5
21	P	44.2	Very low	38.2	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-64.1	145.9	173.6	27.7	-34.2	0	0	0	110.5
22	P	47.8	Very low	37.8	Very low	114 Å²	114	136 Å²	136	74%	0.74	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.8	153.3	171.6	28.9	-34.7	0	0	0	110.6
23	P	39.6	Very low	37.4	Very low	116 Å²	116	133.7 Å²	133.7	75%	0.753	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-62.6	145.4	175.9	27.8	-34.9	0	0	0	110.7	A25	P23-A25 PolarHBondContact O-N 3.07Å
24	P	40.2	Very low	37.2	Very low	129 Å²	129	131.3 Å²	131.3	84%	0.838	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.9	123.1	-178.5	25.2	-33.9	0	0	0	110.7	A26	P24-A26 PolarHBondContact O-N 3.09Å
25	A	37.7	Very low	37.2	Very low	92 Å²	92	129 Å²	129	76%	0.76	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.3	130.6	174	0	0	0	0	0	109.7	P23 L27	P23-A25 PolarHBondContact O-N 3.07Å; A25-L27 PolarHBondContact O-N 3.37Å
26	A	32.4	Very low	37.4	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	79%	0.785	S	S	*	*			trans	-66.8	107	179.9	0	0	0	0	0	110.6	P24 A28	P24-A26 PolarHBondContact O-N 3.09Å; A26-A28 PolarHBondContact O-N 3.21Å; A26-A28 VanDerWaalsContact O-N 3.12Å
27	L	36.7	Very low	37.5	Very low	156 Å²	156	122.9 Å²	122.9	82%	0.817	78%	0.78	S	S	*	*			trans	-65.3	109.6	172.8	-78.6	169.2	0	0	0	109.9	A25	A25-L27 PolarHBondContact O-N 3.37Å
28	A	34.4	Very low	37.9	Very low	77 Å²	77	120.9 Å²	120.9	64%	0.636	78%	0.781	S	S	*	*			trans	-63.5	144.7	166	0	0	0	0	0	109.8	A26 V30	A26-A28 PolarHBondContact O-N 3.21Å; A26-A28 VanDerWaalsContact O-N 3.12Å; A28-V30 PolarHBondContact O-N 3.04Å; A28-V30 VanDerWaalsContact O-N 3.16Å
29	P	35.8	Very low	38.7	Very low	119 Å²	119	118.1 Å²	118.1	77%	0.773	78%	0.779	S	S	*	*			trans	-64.4	118.2	-177.9	26	-34.1	0	0	0	110.9	S31	P29-S31 PolarHBondContact O-N 3.34Å
30	V	37.2	Very low	38.7	Very low	143 Å²	143	115.4 Å²	115.4	87%	0.867	78%	0.779	S	S	*	*			trans	-78.7	87	177.3	-173.8	0	0	0	0	109.3	A28 G32	A28-V30 PolarHBondContact O-N 3.04Å; A28-V30 VanDerWaalsContact O-N 3.16Å; V30-G32 PolarHBondContact O-N 3.08Å
31	S	33.4	Very low	39	Very low	116 Å²	116	117.2 Å²	117.2	81%	0.811	79%	0.785	S	S	*	*			trans	-61.9	122.8	172.8	-63.3	0	0	0	0	111.4	P29	P29-S31 PolarHBondContact O-N 3.34Å
32	G	31.9	Very low	38.9	Very low	65 Å²	65	117.7 Å²	117.7	67%	0.67	79%	0.791	S	S	*	*			trans	131.2	72.4	161	0	0	0	0	0	116.8	V30	V30-G32 PolarHBondContact O-N 3.08Å
33	V	35.1	Very low	38.2	Very low	137 Å²	137	117 Å²	117	83%	0.83	80%	0.796	S	S	*	*			trans	-96.4	93.6	149.3	179.7	0	0	0	0	107.4	L35	V33-L35 PolarHBondContact O-N 2.65Å
34	V	35.7	Very low	38.1	Very low	135 Å²	135	114.9 Å²	114.9	82%	0.818	80%	0.795	S	S	*	*			trans	-82	105.7	172.3	178	0	0	0	0	108
35	L	38.5	Very low	38.1	Very low	143 Å²	143	114.8 Å²	114.8	75%	0.749	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-68.1	138	169.3	-69.4	173	0	0	0	109.8	V33 A37	V33-L35 PolarHBondContact O-N 2.65Å; L35-A37 PolarHBondContact O-N 3.36Å
36	P	43.4	Very low	38.1	Very low	123 Å²	123	115.9 Å²	115.9	80%	0.799	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.3	126.1	178.4	28.2	-33.6	0	0	0	110.7
37	A	37.4	Very low	38.8	Very low	89 Å²	89	116.7 Å²	116.7	74%	0.736	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-68.4	144.5	174.1	0	0	0	0	0	111.5	L35	L35-A37 PolarHBondContact O-N 3.36Å
38	P	47.1	Very low	39	Very low	115 Å²	115	114.4 Å²	114.4	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67	151.4	173.6	29.4	-35	0	0	0	111.3	A40	P38-A40 PolarHBondContact O-N 3.05Å
39	P	50	Low	39.2	Very low	127 Å²	127	114.2 Å²	114.2	83%	0.825	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.3	124.4	-175.9	27.8	-34.5	0	0	0	111.9	V41	P39-V41 PolarHBondContact O-N 3.01Å
40	A	39.6	Very low	39.6	Very low	101 Å²	101	114.7 Å²	114.7	84%	0.835	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.2	121.2	173.1	0	0	0	0	0	110.9	P38	P38-A40 PolarHBondContact O-N 3.05Å
41	V	40.6	Very low	39.9	Very low	146 Å²	146	114.1 Å²	114.1	89%	0.885	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-77.3	120	169.7	-81.8	0	0	0	0	110.1	P39	P39-V41 PolarHBondContact O-N 3.01Å
42	S	42.3	Very low	40.2	Very low	124 Å²	124	112.2 Å²	112.2	87%	0.867	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-79.9	131.9	178.6	-169.9	0	0	0	0	111.3
43	A	33	Very low	40.5	Very low	101 Å²	101	113.3 Å²	113.3	84%	0.835	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-94.4	135.8	173.9	0	0	0	0	0	110.7
44	G	38.6	Very low	40.6	Very low	71 Å²	71	110.6 Å²	110.6	73%	0.732	82%	0.82	S	S	*	*			trans	-158.6	102	-177.9	0	0	0	0	0	114.5
45	S	40.2	Very low	40.8	Very low	127 Å²	127	109.4 Å²	109.4	89%	0.888	82%	0.824	S	S	*	*			trans	62.2	114.1	153.6	-55.3	0	0	0	0	120.3
46	S	37	Very low	40.7	Very low	114 Å²	114	106.4 Å²	106.4	80%	0.797	83%	0.828	S	S	*	*			trans	-79.6	-170.5	165.9	-31.1	0	0	0	0	111
47	P	47.6	Very low	40.3	Very low	122 Å²	122	104.4 Å²	104.4	79%	0.792	83%	0.829	S	S	*	*			cis	-146.2	-169.9	21.4	44.7	-23.3	0	0	0	118.8
48	A	39.3	Very low	40.1	Very low	107 Å²	107	109.9 Å²	109.9	88%	0.884	84%	0.84	S	S	*	*			trans	86.6	129.5	165.7	0	0	0	0	0	117.9
49	G	38.8	Very low	39.6	Very low	74 Å²	74	108.1 Å²	108.1	76%	0.763	84%	0.842	S	S	*	*			trans	175.7	-15.6	-179.6	0	0	0	0	0	120.7
50	S	44.6	Very low	39	Very low	128 Å²	128	110.6 Å²	110.6	90%	0.895	85%	0.848	S	S	*	*			trans	67.7	163	177.3	-70.9	0	0	0	0	117.7
51	P	43.8	Very low	38.6	Very low	131 Å²	131	109.3 Å²	109.3	85%	0.851	84%	0.844	S	S	*	*			trans	-119.1	167.7	-152.2	42	-32.1	0	0	0	116.7
52	G	40.2	Very low	38.3	Very low	77 Å²	77	107.4 Å²	107.4	79%	0.794	84%	0.843	S	S	*	*			trans	-169.8	77.5	173.2	0	0	0	0	0	117.6
53	G	38.2	Very low	37.7	Very low	87 Å²	87	106.1 Å²	106.1	90%	0.897	84%	0.84	S	S	*	*			trans	68.8	131.8	143.6	0	0	0	0	0	122.4
54	G	36.3	Very low	37.7	Very low	81 Å²	81	106 Å²	106	84%	0.835	84%	0.839	S	S	*	*			trans	124.9	102.4	147	0	0	0	0	0	117.3
55	A	40	Very low	37.3	Very low	110 Å²	110	106.8 Å²	106.8	91%	0.909	84%	0.839	S	S	*	*			trans	-71.3	166.1	162	0	0	0	0	0	110.9
56	G	35.9	Very low	36.9	Very low	80 Å²	80	104.9 Å²	104.9	83%	0.825	83%	0.831	S	S	*	*			cis	158	170	0.7	0	0	0	0	0	109.9
57	G	35.7	Very low	36.7	Very low	80 Å²	80	104.6 Å²	104.6	83%	0.825	82%	0.82	S	S	*	*			trans	150.5	129	178.3	0	0	0	0	0	112.4
58	E	34.2	Very low	36	Very low	205 Å²	205	106.4 Å²	106.4	96%	0.958	82%	0.822	S	S	*	*			trans	-92	145.8	-170.2	-61.9	175.9	115.5	0	0	112.7
59	G	35.3	Very low	35.9	Very low	77 Å²	77	107.1 Å²	107.1	79%	0.794	81%	0.81	S	S	*	*			trans	-131.4	105.3	173.1	0	0	0	0	0	110	G61	G59-G61 PolarHBondContact O-N 3.35Å
60	L	36.9	Very low	35.8	Very low	180 Å²	180	111.8 Å²	111.8	94%	0.942	81%	0.812	S	S	*	*			trans	-66	129.8	-174.2	-71.8	162.8	0	0	0	111.7
61	G	31.1	Very low	35.8	Very low	73 Å²	73	111.1 Å²	111.1	75%	0.753	81%	0.805	S	S	*	*			trans	-74.5	134.9	178.2	0	0	0	0	0	112.5	G59 A63	G59-G61 PolarHBondContact O-N 3.35Å; G61-A63 PolarHBondContact O-N 3.32Å
62	A	34.6	Very low	36.1	Very low	106 Å²	106	110.3 Å²	110.3	88%	0.876	80%	0.799	S	S	*	*			trans	-71	95.6	169.5	0	0	0	0	0	109.8	A64	A62-A64 PolarHBondContact O-N 3.06Å
63	A	31.1	Very low	36.7	Very low	97 Å²	97	110.8 Å²	110.8	80%	0.802	79%	0.789	S	S	*	*			trans	-69.6	95.7	174.6	0	0	0	0	0	110.2	G61 A65	G61-A63 PolarHBondContact O-N 3.32Å; A63-A65 PolarHBondContact O-N 3.15Å
64	A	33.2	Very low	37.5	Very low	98 Å²	98	112.2 Å²	112.2	81%	0.81	78%	0.782	S	S	*	*			trans	-66.7	95.4	167.7	0	0	0	0	0	109	A62 A66	A62-A64 PolarHBondContact O-N 3.06Å; A64-A66 VanDerWaalsContact C-N 3.28Å; A64-A66 PolarHBondContact O-N 3.41Å
65	A	29.6	Very low	38.4	Very low	89 Å²	89	113.7 Å²	113.7	74%	0.736	78%	0.777	S	S	*	*			trans	-68.8	85.8	176.2	0	0	0	0	0	110	A63 L67	A63-A65 PolarHBondContact O-N 3.15Å; A65-L67 PolarHBondContact O-N 3.34Å
66	A	32.4	Very low	39	Very low	86 Å²	86	113.3 Å²	113.3	71%	0.711	77%	0.765	S	S	*	*			trans	-68.5	83.1	170.9	0	0	0	0	0	109.4	A64 L68	A64-A66 VanDerWaalsContact C-N 3.28Å; A64-A66 PolarHBondContact O-N 3.41Å; A66-L68 PolarHBondContact O-N 2.87Å
67	L	32	Very low	39.8	Very low	108 Å²	108	115.5 Å²	115.5	57%	0.565	77%	0.765	S	S	*	*			trans	-59.7	103.3	169.2	-78.9	170.7	0	0	0	108.6	A65 L69	A65-L67 PolarHBondContact O-N 3.34Å; L67-L69 PolarHBondContact O-N 3.04Å
68	L	33.5	Very low	40.2	Very low	160 Å²	160	116.3 Å²	116.3	84%	0.838	76%	0.763	S	S	*	*			trans	-71.1	70.6	171.5	-68.9	173.4	0	0	0	109.5	A66 H70	A66-L68 PolarHBondContact O-N 2.87Å; L68-H70 PolarHBondContact O-N 3.16Å; L68-H70 VanDerWaalsContact O-N 3.13Å
69	L	36.2	Very low	40.6	Very low	122 Å²	122	113.1 Å²	113.1	64%	0.639	76%	0.758	S	S	*	*			trans	-59.5	114.5	165.9	-73.6	169.8	0	0	0	107.7	L67	L67-L69 PolarHBondContact O-N 3.04Å
70	H	36	Very low	41	Very low	172 Å²	172	114.2 Å²	114.2	80%	0.796	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.9	139.7	171.3	-79.6	-127.3	0	0	0	108.9	L68	L68-H70 PolarHBondContact O-N 3.16Å; L68-H70 VanDerWaalsContact O-N 3.13Å
71	P	45	Very low	41.6	Very low	115 Å²	115	109.6 Å²	109.6	75%	0.747	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-58.6	139.5	174.7	25.6	-33.9	0	0	0	109.5
72	P	50.7	Low	42.8	Very low	113 Å²	113	111.6 Å²	111.6	73%	0.734	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-60.2	150.5	176	26.5	-34.3	0	0	0	110.2
73	P	51.8	Low	44.1	Very low	88 Å²	88	112 Å²	112	57%	0.571	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.8	144.7	174.4	26.6	-34.2	0	0	0	109.9	M547	P73-M547 HydrophobicContact CG-CE 4.02Å
74	P	55.9	Low	45.6	Very low	116 Å²	116	112.9 Å²	112.9	75%	0.753	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-59.4	145.2	179.3	25.8	-34.6	0	0	0	110.5
75	P	55.4	Low	47.2	Very low	112 Å²	112	113.6 Å²	113.6	73%	0.727	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-59.6	149.2	176.3	26.3	-34.4	0	0	0	110.4
76	P	51.9	Low	49.1	Very low	102 Å²	102	114.7 Å²	114.7	66%	0.662	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58.1	146.4	172.1	27.3	-34.7	0	0	0	109.7	A78	P76-A78 PolarHBondContact O-N 2.9Å; P76-A78 VanDerWaalsContact O-N 3.13Å
77	P	52.5	Low	50.6	Low	126 Å²	126	116.1 Å²	116.1	82%	0.818	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58	122.1	-177.1	23.8	-33.9	0	0	0	110.1	T79	P77-T79 PolarHBondContact O-N 2.84Å
78	A	44.2	Very low	52.3	Low	97 Å²	97	116.5 Å²	116.5	80%	0.802	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-61.2	121.7	176.8	0	0	0	0	0	109.2	P76 A80	P76-A78 PolarHBondContact O-N 2.9Å; P76-A78 VanDerWaalsContact O-N 3.13Å; A78-A80 PolarHBondContact O-N 2.99Å
79	T	44.1	Very low	53.9	Low	138 Å²	138	114.3 Å²	114.3	85%	0.847	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-57.9	119.9	167.6	45.5	0	0	0	0	108.1	P77 A81	P77-T79 PolarHBondContact O-N 2.84Å; T79-A81 PolarHBondContact O-N 3.33Å
80	A	44	Very low	55.3	Low	100 Å²	100	114 Å²	114	83%	0.826	75%	0.747	S	S	*	*			trans	-55	114.3	-171.8	0	0	0	0	0	111.3	A78	A78-A80 PolarHBondContact O-N 2.99Å
81	A	48	Very low	56.6	Low	84 Å²	84	111.5 Å²	111.5	69%	0.694	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.2	144.1	163.2	0	0	0	0	0	108.4	T79	T79-A81 PolarHBondContact O-N 3.33Å
82	P	57.5	Low	57.2	Low	114 Å²	114	112 Å²	112	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59.2	145.5	173	26.9	-34.3	0	0	0	109.8
83	P	60.5	Low	57.2	Low	116 Å²	116	111.7 Å²	111.7	75%	0.753	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-60.2	146.5	176.4	26.9	-34.6	0	0	0	110.2
84	P	63.4	Low	56.9	Low	114 Å²	114	112.9 Å²	112.9	74%	0.74	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-59.8	150.9	171.9	27.7	-34.7	0	0	0	110.2
85	P	67.3	Low	56.1	Low	113 Å²	113	112.6 Å²	112.6	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.7	148.4	175.2	26.9	-34.6	0	0	0	110.6
86	P	68.3	Low	55.5	Low	113 Å²	113	112 Å²	112	73%	0.734	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-61.9	149	176	27.8	-34.9	0	0	0	110.7
87	P	65	Low	55.1	Low	115 Å²	115	111.5 Å²	111.5	75%	0.747	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.1	150.9	174.8	27.4	-34.9	0	0	0	110.9
88	P	67.7	Low	54.6	Low	116 Å²	116	112 Å²	112	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.4	148.3	176.3	27.2	-34.7	0	0	0	110.9
89	P	66.6	Low	54.6	Low	115 Å²	115	112.1 Å²	112.1	75%	0.747	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-64.1	147.4	176.6	28.3	-34.9	0	0	0	110.8
90	P	65.8	Low	54.7	Low	116 Å²	116	111.2 Å²	111.2	75%	0.753	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-62	147.3	176	27.1	-34.7	0	0	0	111
91	P	63	Low	54.9	Low	118 Å²	118	109.7 Å²	109.7	77%	0.766	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.1	148.6	179.6	26.7	-34.6	0	0	0	111.5	A93	P91-A93 PolarHBondContact O-N 2.87Å
92	P	58.3	Low	55.7	Low	126 Å²	126	111.7 Å²	111.7	82%	0.818	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-65.6	128.7	-179	27.3	-34.4	0	0	0	111	S94	P92-S94 PolarHBondContact O-N 3.2Å; P92-S94 VanDerWaalsContact O-N 3.08Å
93	A	49.3	Very low	55.5	Low	107 Å²	107	112.3 Å²	112.3	88%	0.884	79%	0.79	S	S	*	*			trans	-64	109.9	179.1	0	0	0	0	0	111.2	P91	P91-A93 PolarHBondContact O-N 2.87Å
94	S	45.5	Very low	55.2	Low	112 Å²	112	111.2 Å²	111.2	78%	0.783	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-70.8	130.6	172.9	54.9	0	0	0	0	110.7	P92 A96	P92-S94 PolarHBondContact O-N 3.2Å; P92-S94 VanDerWaalsContact O-N 3.08Å; S94-A96 PolarHBondContact O-N 2.82Å
95	A	39.2	Very low	55.2	Low	110 Å²	110	111.6 Å²	111.6	91%	0.909	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.5	118.3	-179.7	0	0	0	0	0	111.9
96	A	42.8	Very low	54.4	Low	99 Å²	99	112.2 Å²	112.2	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-96.2	141.4	171.1	0	0	0	0	0	111	S94	S94-A96 PolarHBondContact O-N 2.82Å
97	A	44	Very low	53.2	Low	92 Å²	92	110.5 Å²	110.5	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75.3	156.2	-177.7	0	0	0	0	0	112.6	A99	A97-A99 PolarHBondContact O-N 3.28Å
98	P	41.2	Very low	52.3	Low	136 Å²	136	113.9 Å²	113.9	88%	0.883	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.9	117.9	-179.2	28	-34.8	0	0	0	112.1
99	A	45.2	Very low	51.1	Low	101 Å²	101	113.2 Å²	113.2	84%	0.835	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.4	129.3	171.4	0	0	0	0	0	111.1	A97	A97-A99 PolarHBondContact O-N 3.28Å
100	S	45.3	Very low	49.8	Very low	118 Å²	118	112.8 Å²	112.8	83%	0.825	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-76.9	124.5	177.1	53	0	0	0	0	112
101	G	49.2	Very low	49	Very low	69 Å²	69	110.8 Å²	110.8	71%	0.711	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-76	145.7	175.2	0	0	0	0	0	113.7
102	P	63.9	Low	48.2	Very low	125 Å²	125	111.6 Å²	111.6	81%	0.812	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.7	156.4	173.8	32.8	-35	0	0	0	112.4
103	P	54.6	Low	47.4	Very low	127 Å²	127	109.1 Å²	109.1	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-81.9	157.4	-177.1	33.6	-36.2	0	0	0	113.8
104	A	53.5	Low	47.2	Very low	93 Å²	93	110.6 Å²	110.6	77%	0.769	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-77	151.9	175.3	0	0	0	0	0	113
105	P	63.7	Low	46.9	Very low	123 Å²	123	110.4 Å²	110.4	80%	0.799	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-73.8	150.2	177.7	30.6	-35.3	0	0	0	113
106	P	49.6	Very low	46.8	Very low	125 Å²	125	109.1 Å²	109.1	81%	0.812	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-81.9	157.9	-177	33.9	-36.3	0	0	0	113.7
107	G	43.7	Very low	46.7	Very low	78 Å²	78	108.6 Å²	108.6	80%	0.804	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.9	158.4	179.4	0	0	0	0	0	114.9
108	L	45.4	Very low	46.4	Very low	186 Å²	186	108.8 Å²	108.8	97%	0.974	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-81.4	143.9	175.2	-77.2	163.3	0	0	0	112
109	A	43.4	Very low	46.5	Very low	101 Å²	101	108.4 Å²	108.4	84%	0.835	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-91.1	153.5	-169.6	0	0	0	0	0	114.2
110	A	39.8	Very low	46.2	Very low	106 Å²	106	109.6 Å²	109.6	88%	0.876	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-98.2	137.5	166.5	0	0	0	0	0	110.8
111	G	47.8	Very low	46.3	Very low	75 Å²	75	109.7 Å²	109.7	77%	0.773	83%	0.827	S	S	*	*			trans	-114.5	144.4	175.9	0	0	0	0	0	112.2
112	P	47.6	Very low	46	Very low	134 Å²	134	111.2 Å²	111.2	87%	0.87	83%	0.832	S	S	*	*			trans	-107.4	138.9	-167.3	37.6	-33.3	0	0	0	117.2
113	G	40.5	Very low	44.6	Very low	75 Å²	75	113.8 Å²	113.8	77%	0.773	84%	0.838	S	S	*	*			trans	78	-180	151.5	0	0	0	0	0	118.4
114	P	45.9	Very low	44	Very low	138 Å²	138	114.7 Å²	114.7	90%	0.896	84%	0.841	S	S	*	*			cis	-122.9	-169.7	-3.8	40.6	-25.4	0	0	0	114.2
115	A	39.5	Very low	43.2	Very low	107 Å²	107	115.3 Å²	115.3	88%	0.884	85%	0.846	S	S	*	*			trans	-86.3	163.1	-166.3	0	0	0	0	0	116.8
116	G	37.2	Very low	42	Very low	84 Å²	84	113.2 Å²	113.2	87%	0.866	85%	0.847	S	S	*	*			trans	152.5	123.3	151.4	0	0	0	0	0	116.6
117	G	39.1	Very low	41.4	Very low	87 Å²	87	113.5 Å²	113.5	90%	0.897	85%	0.852	S	S	*	*			trans	117.4	114.5	159.2	0	0	0	0	0	117
118	A	39	Very low	41.3	Very low	96 Å²	96	115.4 Å²	115.4	79%	0.793	85%	0.853	S	S	*	*			trans	-119.6	156.6	157.9	0	0	0	0	0	107.8
119	P	43	Very low	41	Very low	128 Å²	128	111 Å²	111	83%	0.831	84%	0.844	S	S	*	*				-144.2	176.5	87.6	38	-21.5	0	0	0	115.4
120	T	39	Very low	40.6	Very low	126 Å²	126	111.2 Å²	111.2	77%	0.773	85%	0.845	S	S	*	*			trans	-90.8	-169.8	169.7	59.9	0	0	0	0	109.7
121	P	47.6	Very low	40.7	Very low	121 Å²	121	110 Å²	110	79%	0.786	84%	0.836	S	S	*	*			cis	-135.8	173.2	-5.6	42.4	-26.5	0	0	0	115.8
122	A	42.2	Very low	40.4	Very low	100 Å²	100	112.2 Å²	112.2	83%	0.826	84%	0.836	S	S	*	*			trans	-162.6	142.7	141.8	0	0	0	0	0	110.9
123	L	34.1	Very low	39.9	Very low	179 Å²	179	114.6 Å²	114.6	94%	0.937	83%	0.833	S	S	*	*			trans	-108.1	130.1	173.7	-80.6	156.2	0	0	0	109.9
124	V	43.2	Very low	40	Very low	146 Å²	146	115.7 Å²	115.7	89%	0.885	83%	0.826	S	S	*	*			trans	-137.7	127.2	155.8	-173.3	0	0	0	0	107.7
125	A	35.5	Very low	40.1	Very low	106 Å²	106	115.7 Å²	115.7	88%	0.876	81%	0.814	S	S	*	*			trans	-87.4	130.3	178.7	0	0	0	0	0	110.8
126	G	39.6	Very low	40.5	Very low	79 Å²	79	113 Å²	113	81%	0.814	80%	0.797	S	S	*	*			trans	-135	110.5	172.5	0	0	0	0	0	109.7
127	S	36.5	Very low	41.4	Very low	132 Å²	132	115.1 Å²	115.1	92%	0.923	79%	0.788	S	S	*	*			trans	-85	127.5	-177.7	-170.1	0	0	0	0	111.1
128	S	40.7	Very low	42.6	Very low	117 Å²	117	114.1 Å²	114.1	82%	0.818	77%	0.767	S	S	*	*			trans	-147.4	145.9	162.1	-167.2	0	0	0	0	109.4
129	A	39.3	Very low	43.9	Very low	95 Å²	95	112.7 Å²	112.7	79%	0.785	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-75.3	142.5	-167.5	0	0	0	0	0	112.8	A131	A129-A131 PolarHBondContact O-N 3.39Å
130	A	35.5	Very low	45	Very low	104 Å²	104	111.2 Å²	111.2	86%	0.86	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-68.8	117.7	172.1	0	0	0	0	0	110.5
131	A	42.9	Very low	46.8	Very low	82 Å²	82	109.2 Å²	109.2	68%	0.678	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.9	140.7	168.7	0	0	0	0	0	110.3	A129	A129-A131 PolarHBondContact O-N 3.39Å
132	P	40.2	Very low	48.8	Very low	121 Å²	121	107.6 Å²	107.6	79%	0.786	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-72.1	133.1	177.4	29.6	-33.9	0	0	0	111.1	P134	P132-P134 VanDerWaalsContact O-CD 3.27Å; P132-P134 WeakPolarHBondContact O-CD 3.34Å
133	F	37.6	Very low	51	Low	184 Å²	184	106 Å²	106	81%	0.807	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68	117.4	179.5	-68	-85.9	0	0	0	112.3	H135	F133-H135 PolarHBondContact O-N 3.41Å
134	P	43.3	Very low	53.7	Low	97 Å²	97	102 Å²	102	63%	0.63	66%	0.659	S	S	*	*			trans	-100.3	63.2	-179.6	38.2	-29.1	0	0	0	110.9	P132	P132-P134 VanDerWaalsContact O-CD 3.27Å; P132-P134 WeakPolarHBondContact O-CD 3.34Å
135	H	47	Very low	56	Low	139 Å²	139	98.6 Å²	98.6	64%	0.644	63%	0.632	S	S	*	*			trans	-111.3	3.4	-173.7	-67.2	-36.8	0	0	0	115.2	F133	F133-H135 PolarHBondContact O-N 3.41Å
136	G	47.4	Very low	58.8	Low	50 Å²	50	96.7 Å²	96.7	52%	0.515	61%	0.605	S	S	.	*	S	Bend	trans	-86	-52.9	172.1	0	0	0	0	0	113.2	S138	G136-S138 PolarHBondContact O-N 3.35Å
137	D	56.7	Low	61.5	Low	129 Å²	129	93.5 Å²	93.5	69%	0.69	57%	0.569	S	S	*	*	H	α-helix	trans	-71.7	-28	-166.8	-58.1	-41.5	0	0	0	114.1	A139 L140 N141	D137-A139 PolarHBondContact O-N 3.05Å; D137-L140 PolarHBondContact O-N 3.49Å; D137-N141 VanDerWaalsContact O-CB 3.23Å; D137-N141 WeakPolarHBondContact O-CB 3.34Å; D137-N141 PolarHBondContact O-N 2.86Å
138	S	64	Low	64.3	Low	65 Å²	65	91.5 Å²	91.5	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-64.1	-41.5	-176.8	54.5	0	0	0	0	112.9	G136 N141 E142	G136-S138 PolarHBondContact O-N 3.35Å; S138-N141 PolarHBondContact O-N 2.95Å; S138-E142 PolarHBondContact O-N 2.75Å
139	A	67.3	Low	67	Low	67 Å²	67	92.2 Å²	92.2	55%	0.554	53%	0.53	S	S	*	.	H	α-helix	trans	-68.8	-40.1	-179.3	0	0	0	0	0	112.4	D137 E142 Q143	D137-A139 PolarHBondContact O-N 3.05Å; A139-E142 PolarHBondContact O-N 3.04Å; A139-Q143 PolarHBondContact O-N 3.45Å; A139-Q143 VanDerWaalsContact O-N 3.1Å
140	L	65.9	Low	69.7	Low	96 Å²	96	88.7 Å²	88.7	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-40.9	174.9	-65.6	175.6	0	0	0	111.2	D137 Q143 E144	D137-L140 PolarHBondContact O-N 3.49Å; L140-Q143 PolarHBondContact O-N 3.03Å; L140-E144 PolarHBondContact O-N 2.93Å
141	N	77.3	Confident	72.7	Confident	84 Å²	84	83.8 Å²	83.8	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-39.9	177.7	-166.5	-3.5	0	0	0	112.1	D137 S138 E144 K145	D137-N141 VanDerWaalsContact O-CB 3.23Å; D137-N141 WeakPolarHBondContact O-CB 3.34Å; D137-N141 PolarHBondContact O-N 2.86Å; S138-N141 PolarHBondContact O-N 2.95Å; N141-E144 PolarHBondContact O-N 2.68Å; N141-K145 VanDerWaalsContact O-CG 3.27Å; N141-K145 WeakPolarHBondContact O-CG 3.47Å; N141-K145 PolarHBondContact O-N 3.03Å; N141-K145 WeakPolarHBondContact OD1-CE 3.15Å
142	E	88.7	Confident	75.2	Confident	88 Å²	88	87.7 Å²	87.7	41%	0.411	46%	0.457	S	S	.	.	H	α-helix	trans	-68	-38	172.5	-70.2	-49	133.3	0	0	113.2	S138 A139 E144 K145 E146 R149	S138-E142 PolarHBondContact O-N 2.75Å; A139-E142 PolarHBondContact O-N 3.04Å; E142-E144 VanDerWaalsContact C-N 3.3Å; E142-E144 PolarHBondContact O-N 3.48Å; E142-K145 PolarHBondContact O-N 3.21Å; E142-K145 WeakPolarHBondContact OE1-CD 3.35Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.12Å; E142-K145 WeakPolarHBondContact OE2-CD 3.44Å; E142-E146 VanDerWaalsContact O-CB 3.28Å; E142-E146 WeakPolarHBondContact O-CB 3.42Å; E142-E146 PolarHBondContact O-N 2.99Å; E142-R149 IonicContact OE2-NH2 2.97Å
143	Q	87.5	Confident	77.8	Confident	65 Å²	65	88.6 Å²	88.6	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-38.1	173.9	-169.5	177.9	19.8	0	0	111.6	A139 L140 L147	A139-Q143 PolarHBondContact O-N 3.45Å; A139-Q143 VanDerWaalsContact O-N 3.1Å; L140-Q143 PolarHBondContact O-N 3.03Å; Q143-L147 WeakPolarHBondContact O-CB 3.46Å; Q143-L147 PolarHBondContact O-N 3.11Å
144	E	90.9	Very high	80.6	Confident	97 Å²	97	80.3 Å²	80.3	45%	0.453	41%	0.409	S	S	.	.	H	α-helix	trans	-70	-45	175.8	-166.6	-178.3	163.8	0	0	112.3	L140 N141 E142 E146 L147 Q148 R167	L140-E144 PolarHBondContact O-N 2.93Å; N141-E144 PolarHBondContact O-N 2.68Å; E142-E144 VanDerWaalsContact C-N 3.3Å; E142-E144 PolarHBondContact O-N 3.48Å; E144-E146 PolarHBondContact O-N 3.17Å; E144-L147 WeakPolarHBondContact O-CB 3.28Å; E144-L147 PolarHBondContact O-N 3.4Å; E144-Q148 HydrophobicContact CG-CG 4.36Å; E144-Q148 VanDerWaalsContact O-CG 3.31Å; E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 3.49Å; E144-Q148 PolarHBondContact OE1-NE2 3.22Å; E144-R167 IonicContact OE1-NH1 2.97Å
145	K	92.6	Very high	83.2	Confident	73 Å²	73	75.9 Å²	75.9	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-55.2	-42.1	173.7	-73.3	167.8	-169.4	171	0	111.5	N141 E142 Q148 R149	N141-K145 VanDerWaalsContact O-CG 3.27Å; N141-K145 WeakPolarHBondContact O-CG 3.47Å; N141-K145 PolarHBondContact O-N 3.03Å; N141-K145 WeakPolarHBondContact OD1-CE 3.15Å; E142-K145 PolarHBondContact O-N 3.21Å; E142-K145 WeakPolarHBondContact OE1-CD 3.35Å; E142-K145 IonicContact OE1-NZ 2.8Å; E142-K145 PolarHBondContact OE1-NZ 3.12Å; E142-K145 WeakPolarHBondContact OE2-CD 3.44Å; K145-Q148 PolarHBondContact O-N 2.86Å; K145-R149 VanDerWaalsContact O-CG 3.3Å; K145-R149 WeakPolarHBondContact O-CG 3.42Å; K145-R149 PolarHBondContact O-N 2.7Å
146	E	94.6	Very high	85.3	Confident	67 Å²	67	72.7 Å²	72.7	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-71.8	-35	-178.4	-172.4	53.5	-154.4	0	0	112.8	E142 E144 R149 R150	E142-E146 VanDerWaalsContact O-CB 3.28Å; E142-E146 WeakPolarHBondContact O-CB 3.42Å; E142-E146 PolarHBondContact O-N 2.99Å; E144-E146 PolarHBondContact O-N 3.17Å; E146-R149 WeakPolarHBondContact OE2-CD 3.19Å; E146-R149 IonicContact OE2-CZ 3.51Å; E146-R149 IonicContact OE2-NH1 3.46Å; E146-R149 PolarHBondContact OE2-NH1 3.46Å; E146-R150 WeakPolarHBondContact O-CB 3.45Å; E146-R150 PolarHBondContact O-N 3.22Å; E146-R150 VanDerWaalsContact O-N 3.08Å; E146-R150 PolarHBondContact O-NH1 3.39Å; E146-R150 IonicContact OE1-CZ 2.69Å; E146-R150 IonicContact OE1-NH1 2.78Å; E146-R150 IonicContact OE1-NH2 3.42Å; E146-R150 PolarHBondContact OE1-NH2 2.61Å
147	L	95.9	Very high	87.4	Confident	12 Å²	12	72.3 Å²	72.3	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-60.2	-50.9	166	174.5	66.4	0	0	0	110.8	Q143 E144 R149 R150 L151 R167 G330 Q331	Q143-L147 WeakPolarHBondContact O-CB 3.46Å; Q143-L147 PolarHBondContact O-N 3.11Å; E144-L147 WeakPolarHBondContact O-CB 3.28Å; E144-L147 PolarHBondContact O-N 3.4Å; L147-R149 PolarHBondContact O-N 2.78Å; L147-R150 PolarHBondContact O-N 3.04Å; L147-L151 HydrophobicContact CD1-CD1 3.8Å; L147-L151 HydrophobicContact CD1-CD2 4.27Å; L147-L151 HydrophobicContact CD1-CG 3.84Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.27Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 2.95Å; L147-R167 HydrophobicContact CD2-CB 4.48Å; L147-R167 HydrophobicContact CD2-CG 4.3Å; L147-G330 VanDerWaalsContact CD1-C 3.41Å; L147-Q331 HydrophobicContact CD1-CG 4.15Å; L147-Q331 HydrophobicContact CD2-CG 4.36Å
148	Q	95.4	Very high	89.1	Confident	89 Å²	89	67.1 Å²	67.1	42%	0.416	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-43	-179.5	-70	175.8	12.5	0	0	112	E144 K145 K152	E144-Q148 HydrophobicContact CG-CG 4.36Å; E144-Q148 VanDerWaalsContact O-CG 3.31Å; E144-Q148 WeakPolarHBondContact O-CG 3.3Å; E144-Q148 PolarHBondContact O-N 3.49Å; E144-Q148 PolarHBondContact OE1-NE2 3.22Å; K145-Q148 PolarHBondContact O-N 2.86Å; Q148-K152 WeakPolarHBondContact O-CB 3.34Å; Q148-K152 PolarHBondContact O-N 3.16Å
149	R	96.6	Very high	90.4	Very high	133 Å²	133	67.4 Å²	67.4	50%	0.502	33%	0.333	S	S	.	.	H	α-helix	trans	-59.4	-49.9	173.7	-71.6	175.2	-158.3	125	2.3	111.7	E142 K145 E146 L147 K152 R153	E142-R149 IonicContact OE2-NH2 2.97Å; K145-R149 VanDerWaalsContact O-CG 3.3Å; K145-R149 WeakPolarHBondContact O-CG 3.42Å; K145-R149 PolarHBondContact O-N 2.7Å; E146-R149 WeakPolarHBondContact OE2-CD 3.19Å; E146-R149 IonicContact OE2-CZ 3.51Å; E146-R149 IonicContact OE2-NH1 3.46Å; E146-R149 PolarHBondContact OE2-NH1 3.46Å; L147-R149 PolarHBondContact O-N 2.78Å; R149-K152 PolarHBondContact O-N 2.81Å; R149-R153 WeakPolarHBondContact O-CB 3.34Å; R149-R153 PolarHBondContact O-N 3.38Å
150	R	97.5	Very high	91.7	Very high	20 Å²	20	67 Å²	67	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-42	-177.1	-172.4	171.8	-63.1	83.7	14.6	112.4	E146 L147 R153 L154 G330	E146-R150 WeakPolarHBondContact O-CB 3.45Å; E146-R150 PolarHBondContact O-N 3.22Å; E146-R150 VanDerWaalsContact O-N 3.08Å; E146-R150 PolarHBondContact O-NH1 3.39Å; E146-R150 IonicContact OE1-CZ 2.69Å; E146-R150 IonicContact OE1-NH1 2.78Å; E146-R150 IonicContact OE1-NH2 3.42Å; E146-R150 PolarHBondContact OE1-NH2 2.61Å; L147-R150 PolarHBondContact O-N 3.04Å; R150-R153 PolarHBondContact O-N 3.33Å; R150-L154 HydrophobicContact CG-CD1 3.86Å; R150-L154 HydrophobicContact CG-CG 4.38Å; R150-L154 WeakPolarHBondContact O-CB 3.22Å; R150-L154 VanDerWaalsContact O-CG 3.31Å; R150-L154 WeakPolarHBondContact O-CG 3.46Å; R150-L154 PolarHBondContact O-N 3.25Å; R150-G330 WeakPolarHBondContact CD-O 3.36Å; R150-G330 PolarHBondContact NH1-O 3.44Å
151	L	97.8	Very high	93.1	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-46.7	174.8	-67.8	-177.9	0	0	0	111.5	L147 R153 L154 Y155 L165 R167 F329	L147-L151 HydrophobicContact CD1-CD1 3.8Å; L147-L151 HydrophobicContact CD1-CD2 4.27Å; L147-L151 HydrophobicContact CD1-CG 3.84Å; L147-L151 HydrophobicContact CG-CD1 3.92Å; L147-L151 HydrophobicContact CG-CG 4.27Å; L147-L151 WeakPolarHBondContact O-CB 3.36Å; L147-L151 WeakPolarHBondContact O-CG 3.35Å; L147-L151 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 2.96Å; L151-L154 PolarHBondContact O-N 3.36Å; L151-Y155 HydrophobicContact CD2-CD2 4.03Å; L151-Y155 HydrophobicContact CD2-CE2 3.79Å; L151-Y155 PolarHBondContact O-N 2.9Å; L151-L165 HydrophobicContact CB-CD1 3.98Å; L151-L165 HydrophobicContact CD1-CB 4.44Å; L151-L165 HydrophobicContact CD1-CD1 4.02Å; L151-L165 HydrophobicContact CD2-CD1 4.16Å; L151-L165 HydrophobicContact CG-CD1 4.27Å; L151-R167 HydrophobicContact CD1-CG 4.03Å; L151-F329 WeakPolarHBondContact CD2-O 3.4Å
152	K	95.5	Very high	93.8	Very high	164 Å²	164	71.8 Å²	71.8	71%	0.713	34%	0.337	S	S	*	.	H	α-helix	trans	-65.3	-29.4	178.1	-170.8	171	-177.2	178.4	0	113.2	Q148 R149 P156	Q148-K152 WeakPolarHBondContact O-CB 3.34Å; Q148-K152 PolarHBondContact O-N 3.16Å; R149-K152 PolarHBondContact O-N 2.81Å; K152-P156 WeakPolarHBondContact O-CA 3.3Å
153	R	95.1	Very high	94	Very high	141 Å²	141	70.3 Å²	70.3	53%	0.532	33%	0.334	S	S	.	.	H	α-helix	trans	-74.7	-40.4	175.7	-170.9	176.8	69.2	168.5	3.3	112.8	R149 R150 L151 E339	R149-R153 WeakPolarHBondContact O-CB 3.34Å; R149-R153 PolarHBondContact O-N 3.38Å; R150-R153 PolarHBondContact O-N 3.33Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 2.96Å; R153-E339 WeakPolarHBondContact CD-OE1 3.39Å; R153-E339 IonicContact CZ-OE1 3.48Å; R153-E339 IonicContact CZ-OE2 2.7Å; R153-E339 VanDerWaalsContact CZ-OE2 3.27Å; R153-E339 IonicContact NE-OE1 3.92Å; R153-E339 PolarHBondContact NE-OE1 3.06Å; R153-E339 IonicContact NE-OE2 2.7Å; R153-E339 IonicContact NH1-OE1 3.59Å; R153-E339 IonicContact NH1-OE2 3.57Å; R153-E339 IonicContact NH2-OE1 3.41Å; R153-E339 PolarHBondContact NH2-OE1 3.36Å; R153-E339 IonicContact NH2-OE2 3.55Å; R153-E339 PolarHBondContact NH2-OE2 2.98Å
154	L	96.8	Very high	94.5	Very high	9 Å²	9	69.6 Å²	69.6	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-77.4	-37.7	179.8	-68.5	171.7	0	0	0	112.7	R150 L151 P156 F334 I338 E339 M342	R150-L154 HydrophobicContact CG-CD1 3.86Å; R150-L154 HydrophobicContact CG-CG 4.38Å; R150-L154 WeakPolarHBondContact O-CB 3.22Å; R150-L154 VanDerWaalsContact O-CG 3.31Å; R150-L154 WeakPolarHBondContact O-CG 3.46Å; R150-L154 PolarHBondContact O-N 3.25Å; L151-L154 PolarHBondContact O-N 3.36Å; L154-P156 WeakPolarHBondContact O-CD 3.29Å; L154-F334 HydrophobicContact CD1-CE2 3.78Å; L154-I338 HydrophobicContact CD2-CG2 3.87Å; L154-E339 HydrophobicContact CD2-CG 3.6Å; L154-M342 HydrophobicContact CB-CE 4.4Å; L154-M342 HydrophobicContact CD2-CE 4.35Å; L154-M342 HydrophobicContact CD2-SD 3.86Å
155	Y	96.1	Very high	94.9	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.016	31%	0.314	C	S	.	.			trans	-126.3	54.5	-169.7	-44.9	-54.3	0	0	0	111.8	L151 A157 V158 L165 C212 I214 Y215 Y216 M342	L151-Y155 HydrophobicContact CD2-CD2 4.03Å; L151-Y155 HydrophobicContact CD2-CE2 3.79Å; L151-Y155 PolarHBondContact O-N 2.9Å; Y155-A157 PolarHBondContact O-N 3.12Å; Y155-A157 VanDerWaalsContact O-N 3.12Å; Y155-V158 PolarHBondContact O-N 3.35Å; Y155-L165 HydrophobicContact CD2-CD1 3.81Å; Y155-L165 HydrophobicContact CD2-CD2 4.09Å; Y155-C212 HydrophobicContact CD1-CB 3.76Å; Y155-C212 HydrophobicContact CE1-CB 4.23Å; Y155-C212 HydrophobicContact CG-CB 4.36Å; Y155-I214 WeakPolarHBondContact CE1-O 3.41Å; Y155-Y215 HydrophobicContact CE1-CD2 4.01Å; Y155-Y215 AromaticContact CE2-CD2 3.97Å; Y155-Y215 HydrophobicContact CE2-CD2 3.97Å; Y155-Y215 AromaticContact CE2-CE2 3.98Å; Y155-Y215 HydrophobicContact CE2-CE2 3.98Å; Y155-Y215 AromaticContact CZ-CD2 3.54Å; Y155-Y215 AromaticContact CZ-CE2 3.9Å; Y155-Y215 WeakPolarHBondContact OH-CD2 3.37Å; Y155-Y216 PolarHBondContact OH-N 2.86Å; Y155-Y216 PolarHBondContact OH-O 2.86Å; Y155-Y216 VanDerWaalsContact OH-O 3.09Å; Y155-M342 HydrophobicContact CD1-CE 4.13Å; Y155-M342 HydrophobicContact CE1-CE 3.62Å
156	P	91.7	Very high	95.2	Very high	73 Å²	73	61.7 Å²	61.7	47%	0.474	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.2	-168.6	26.6	-36.3	0	0	0	114.5	K152 L154	K152-P156 WeakPolarHBondContact O-CA 3.3Å; L154-P156 WeakPolarHBondContact O-CD 3.29Å
157	A	90.7	Very high	95.3	Very high	42 Å²	42	61.4 Å²	61.4	35%	0.347	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.3	178.1	0	0	0	0	0	114.3	Y155 A720	Y155-A157 PolarHBondContact O-N 3.12Å; Y155-A157 VanDerWaalsContact O-N 3.12Å; A157-A720 HydrophobicContact CB-CB 4.28Å
158	V	93.1	Very high	95.5	Very high	19 Å²	19	62 Å²	62	12%	0.115	30%	0.301	C	S	.	.			trans	-87.3	114.5	178.1	-179.1	0	0	0	0	110.4	Y155 E160 T163 L165 P209 A211 C212	Y155-V158 PolarHBondContact O-N 3.35Å; V158-E160 HydrophobicContact CG1-CG 4.22Å; V158-E160 PolarHBondContact O-N 3.3Å; V158-T163 WeakPolarHBondContact CG1-O 3.22Å; V158-L165 HydrophobicContact CG1-CD1 4.38Å; V158-L165 HydrophobicContact CG1-CD2 4.29Å; V158-L165 HydrophobicContact CG1-CG 4.09Å; V158-P209 HydrophobicContact CG1-CB 4.21Å; V158-P209 HydrophobicContact CG1-CG 4.08Å; V158-P209 HydrophobicContact CG2-CB 4.38Å; V158-A211 VanDerWaalsContact CG2-C 3.49Å; V158-A211 HydrophobicContact CG2-CB 3.91Å; V158-C212 HydrophobicContact CG2-CB 4.48Å
159	D	91.9	Very high	95.6	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	28%	0.281	S	S	.	.			trans	-80.5	107.1	161	-167.8	-14.1	0	0	0	109.3	Q161 E162 T163	D159-Q161 PolarHBondContact O-N 3.47Å; D159-Q161 VanDerWaalsContact OD1-CB 3.24Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.46Å; D159-Q161 WeakPolarHBondContact OD1-CG 3.35Å; D159-Q161 PolarHBondContact OD1-N 3.02Å; D159-Q161 PolarHBondContact OD1-NE2 3.49Å; D159-E162 PolarHBondContact O-N 2.9Å; D159-T163 PolarHBondContact O-N 3.41Å; D159-T163 PolarHBondContact O-OG1 2.94Å
160	E	94.7	Very high	95.7	Very high	59 Å²	59	52.2 Å²	52.2	28%	0.276	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.2	176.3	-74.7	-168.9	-86.4	0	0	113.7	V158 P164 L165 R167	V158-E160 HydrophobicContact CG1-CG 4.22Å; V158-E160 PolarHBondContact O-N 3.3Å; E160-P164 WeakPolarHBondContact O-CA 3.46Å; E160-P164 WeakPolarHBondContact O-CB 3.49Å; E160-L165 HydrophobicContact CG-CB 4.44Å; E160-L165 HydrophobicContact CG-CD1 3.95Å; E160-L165 HydrophobicContact CG-CG 4.02Å; E160-L165 WeakPolarHBondContact OE2-CB 3.33Å; E160-L165 PolarHBondContact OE2-N 2.92Å; E160-R167 IonicContact OE1-CZ 3.6Å; E160-R167 IonicContact OE1-NE 2.66Å; E160-R167 IonicContact OE1-NH2 2.71Å; E160-R167 PolarHBondContact OE1-NH2 3.45Å; E160-R167 IonicContact OE2-CZ 3.34Å; E160-R167 IonicContact OE2-NE 3.5Å; E160-R167 PolarHBondContact OE2-NE 3.37Å; E160-R167 IonicContact OE2-NH2 2.66Å; E160-R167 PolarHBondContact OE2-NH2 3.03Å
161	Q	94.1	Very high	95.8	Very high	174 Å²	174	54.8 Å²	54.8	81%	0.813	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-35	169.2	-61.3	174	92.4	0	0	112.5	D159	D159-Q161 PolarHBondContact O-N 3.47Å; D159-Q161 VanDerWaalsContact OD1-CB 3.24Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.46Å; D159-Q161 WeakPolarHBondContact OD1-CG 3.35Å; D159-Q161 PolarHBondContact OD1-N 3.02Å; D159-Q161 PolarHBondContact OD1-NE2 3.49Å
162	E	91.9	Very high	95.8	Very high	106 Å²	106	64 Å²	64	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-44.3	173	-66.2	-165.4	165.3	0	0	111.2	D159 R713	D159-E162 PolarHBondContact O-N 2.9Å; E162-R713 IonicContact OE1-CZ 3.21Å; E162-R713 IonicContact OE1-NH1 3.2Å; E162-R713 PolarHBondContact OE1-NH1 3.22Å; E162-R713 VanDerWaalsContact OE2-CD 3.28Å; E162-R713 WeakPolarHBondContact OE2-CD 3.34Å; E162-R713 IonicContact OE2-CZ 2.73Å; E162-R713 IonicContact OE2-NE 3.15Å; E162-R713 IonicContact OE2-NH1 2.88Å; E162-R713 PolarHBondContact OE2-NH1 3.41Å
163	T	94.4	Very high	95.9	Very high	57 Å²	57	58.4 Å²	58.4	35%	0.35	30%	0.299	S	S	.	.	S	Bend	trans	-137.5	82.2	-174.1	53	0	0	0	0	111.1	V158 D159 P209	V158-T163 WeakPolarHBondContact CG1-O 3.22Å; D159-T163 PolarHBondContact O-N 3.41Å; D159-T163 PolarHBondContact O-OG1 2.94Å; T163-P209 WeakPolarHBondContact O-CG 3.5Å
164	P	97.6	Very high	96.1	Very high	50 Å²	50	54.2 Å²	54.2	33%	0.325	29%	0.285	S	S	.	.			trans	-64.7	139.7	-177.8	26.1	-35.3	0	0	0	112.1	E160 H206	E160-P164 WeakPolarHBondContact O-CA 3.46Å; E160-P164 WeakPolarHBondContact O-CB 3.49Å; P164-H206 VanDerWaalsContact O-CB 3.24Å; P164-H206 WeakPolarHBondContact O-CB 3.29Å; P164-H206 PolarHBondContact O-ND1 3.46Å
165	L	98.5	Very high	96.2	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	29%	0.294	C	S	.	.			trans	-72.5	151.8	-176.8	-72.5	160.4	0	0	0	111.9	L151 Y155 V158 E160 R167 H206 P209 Y215	L151-L165 HydrophobicContact CB-CD1 3.98Å; L151-L165 HydrophobicContact CD1-CB 4.44Å; L151-L165 HydrophobicContact CD1-CD1 4.02Å; L151-L165 HydrophobicContact CD2-CD1 4.16Å; L151-L165 HydrophobicContact CG-CD1 4.27Å; Y155-L165 HydrophobicContact CD2-CD1 3.81Å; Y155-L165 HydrophobicContact CD2-CD2 4.09Å; V158-L165 HydrophobicContact CG1-CD1 4.38Å; V158-L165 HydrophobicContact CG1-CD2 4.29Å; V158-L165 HydrophobicContact CG1-CG 4.09Å; E160-L165 HydrophobicContact CG-CB 4.44Å; E160-L165 HydrophobicContact CG-CD1 3.95Å; E160-L165 HydrophobicContact CG-CG 4.02Å; E160-L165 WeakPolarHBondContact OE2-CB 3.33Å; E160-L165 PolarHBondContact OE2-N 2.92Å; L165-R167 PolarHBondContact O-N 3.29Å; L165-R167 VanDerWaalsContact O-N 3.17Å; L165-H206 PolarHBondContact O-ND1 2.95Å; L165-P209 HydrophobicContact CD2-CG 3.94Å; L165-Y215 HydrophobicContact CD2-CE2 4.45Å
166	P	98.5	Very high	96.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.316	C	S	.	.			trans	-64.7	111.9	165.3	23.1	-29.9	0	0	0	109.9	A204 Y215 P314	P166-A204 HydrophobicContact CB-CB 3.55Å; P166-Y215 HydrophobicContact CG-CE2 4.07Å; P166-Y215 WeakPolarHBondContact CG-OH 3.28Å; P166-P314 HydrophobicContact CB-CG 4.13Å; P166-P314 HydrophobicContact CG-CG 4Å
167	R	98.3	Very high	96.6	Very high	62 Å²	62	58.9 Å²	58.9	23%	0.234	31%	0.305	C	S	.	.			trans	-110.1	-18.3	-178.6	-68.2	178.5	175.4	-149.9	0.3	113.6	E144 L147 L151 E160 L165 F329 Q331	E144-R167 IonicContact OE1-NH1 2.97Å; L147-R167 HydrophobicContact CD2-CB 4.48Å; L147-R167 HydrophobicContact CD2-CG 4.3Å; L151-R167 HydrophobicContact CD1-CG 4.03Å; E160-R167 IonicContact OE1-CZ 3.6Å; E160-R167 IonicContact OE1-NE 2.66Å; E160-R167 IonicContact OE1-NH2 2.71Å; E160-R167 PolarHBondContact OE1-NH2 3.45Å; E160-R167 IonicContact OE2-CZ 3.34Å; E160-R167 IonicContact OE2-NE 3.5Å; E160-R167 PolarHBondContact OE2-NE 3.37Å; E160-R167 IonicContact OE2-NH2 2.66Å; E160-R167 PolarHBondContact OE2-NH2 3.03Å; L165-R167 PolarHBondContact O-N 3.29Å; L165-R167 VanDerWaalsContact O-N 3.17Å; R167-F329 WeakPolarHBondContact O-CD2 3.49Å; R167-Q331 PolarHBondContact O-NE2 3.01Å
168	S	98.6	Very high	97	Very high	25 Å²	25	56.9 Å²	56.9	18%	0.175	29%	0.288	C	S	.	.	S	Bend	trans	-159.6	173.8	176.8	60.7	0	0	0	0	112	A204 T205	S168-A204 CarbonylContact O-C 3.54Å; S168-A204 WeakPolarHBondContact O-CA 3.47Å; S168-T205 PolarHBondContact O-N 3.37Å
169	W	98.9	Very high	97.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.6	175	-62.4	116.7	0	0	0	111.9	P171 L180 N184 L185 V187 V202 A204 F217 P314 V316 A327 F329	W169-P171 WeakPolarHBondContact O-CD 3.4Å; W169-L180 HydrophobicContact CB-CD1 3.96Å; W169-L180 HydrophobicContact CB-CD2 3.78Å; W169-L180 HydrophobicContact CG-CD2 4.3Å; W169-N184 VanDerWaalsContact CB-O 3.26Å; W169-N184 WeakPolarHBondContact CB-O 3.37Å; W169-N184 PolarHBondContact N-O 3.12Å; W169-N184 WeakPolarHBondContact O-CB 3.37Å; W169-L185 PolarHBondContact NE1-O 2.7Å; W169-V187 HydrophobicContact CD2-CG2 4.08Å; W169-V187 HydrophobicContact CG-CG2 3.77Å; W169-V202 HydrophobicContact CB-CG2 3.8Å; W169-V202 HydrophobicContact CD2-CG1 4.22Å; W169-V202 HydrophobicContact CD2-CG2 4.47Å; W169-V202 HydrophobicContact CE3-CG1 4.1Å; W169-V202 HydrophobicContact CE3-CG2 4.12Å; W169-V202 HydrophobicContact CG-CG1 4.45Å; W169-V202 HydrophobicContact CG-CG2 4.38Å; W169-A204 HydrophobicContact CE3-CB 4.47Å; W169-A204 HydrophobicContact CZ3-CB 4.49Å; W169-F217 HydrophobicContact CH2-CE2 4.34Å; W169-P314 HydrophobicContact CH2-CB 4.46Å; W169-P314 HydrophobicContact CZ3-CB 4.42Å; W169-P314 WeakPolarHBondContact CZ3-O 3.49Å; W169-V316 HydrophobicContact CD2-CG2 4.41Å; W169-V316 HydrophobicContact CE3-CG2 4.47Å; W169-V316 HydrophobicContact CH2-CB 4.2Å; W169-V316 HydrophobicContact CH2-CG1 3.69Å; W169-V316 HydrophobicContact CH2-CG2 3.78Å; W169-V316 HydrophobicContact CZ2-CB 4.31Å; W169-V316 HydrophobicContact CZ2-CG1 3.74Å; W169-V316 HydrophobicContact CZ2-CG2 3.63Å; W169-V316 HydrophobicContact CZ3-CG2 4.18Å; W169-A327 HydrophobicContact CZ2-CB 3.64Å; W169-A327 VanDerWaalsContact NE1-CB 3.26Å; W169-F329 HydrophobicContact CD2-CE2 4.3Å; W169-F329 AromaticContact CD2-CZ 3.97Å; W169-F329 HydrophobicContact CD2-CZ 3.97Å; W169-F329 AromaticContact CE2-CZ 3.75Å; W169-F329 HydrophobicContact CE3-CZ 4.09Å; W169-F329 HydrophobicContact CH2-CE1 4.35Å; W169-F329 AromaticContact CH2-CZ 3.77Å; W169-F329 HydrophobicContact CH2-CZ 3.77Å; W169-F329 HydrophobicContact CZ2-CE1 4.5Å; W169-F329 HydrophobicContact CZ2-CE2 4.37Å; W169-F329 AromaticContact CZ2-CZ 3.67Å; W169-F329 HydrophobicContact CZ2-CZ 3.67Å; W169-F329 AromaticContact CZ3-CZ 4Å; W169-F329 HydrophobicContact CZ3-CZ 4Å
170	S	98.8	Very high	97.6	Very high	15 Å²	15	54.4 Å²	54.4	11%	0.105	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.6	-178.2	-172	0	0	0	0	111	K172 D173 R203	S170-K172 PolarHBondContact O-N 3.25Å; S170-K172 PolarHBondContact OG-N 2.72Å; S170-D173 WeakPolarHBondContact OG-CB 3.47Å; S170-D173 PolarHBondContact OG-N 2.91Å; S170-R203 VanDerWaalsContact CB-O 3.25Å; S170-R203 WeakPolarHBondContact CB-O 3.34Å; S170-R203 PolarHBondContact N-O 2.74Å
171	P	98.4	Very high	97.8	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-16.2	173.9	29.5	-34.8	0	0	0	112.5	W169 K174 L180	W169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-K174 WeakPolarHBondContact O-CE 3.33Å; P171-L180 HydrophobicContact CB-CD1 4.4Å
172	K	98.3	Very high	97.9	Very high	195 Å²	195	51.3 Å²	51.3	85%	0.848	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	-47.5	178.8	-65.2	177.4	179.9	176.1	0	112.4	S170 K174	S170-K172 PolarHBondContact O-N 3.25Å; S170-K172 PolarHBondContact OG-N 2.72Å; K172-K174 PolarHBondContact O-N 3.33Å
173	D	98.6	Very high	98.1	Very high	45 Å²	45	51.6 Å²	51.6	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	71.6	-170.3	-164.1	7.5	0	0	0	112	S170 R203	S170-D173 WeakPolarHBondContact OG-CB 3.47Å; S170-D173 PolarHBondContact OG-N 2.91Å; D173-R203 PolarHBondContact O-N 3.43Å; D173-R203 VanDerWaalsContact O-N 3.08Å; D173-R203 IonicContact OD1-CZ 2.94Å; D173-R203 IonicContact OD1-NE 2.76Å; D173-R203 IonicContact OD1-NH2 3.72Å; D173-R203 PolarHBondContact OD1-NH2 2.85Å; D173-R203 IonicContact OD2-CZ 3.05Å; D173-R203 IonicContact OD2-NE 3.78Å; D173-R203 PolarHBondContact OD2-NE 3.09Å; D173-R203 IonicContact OD2-NH2 3.78Å; D173-R203 PolarHBondContact OD2-NH2 3.38Å
174	K	98.7	Very high	98.3	Very high	54 Å²	54	51.3 Å²	51.3	24%	0.235	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.1	-174.9	60.2	172.8	-155.9	69	0	111.2	P171 K172 I178 L180 S201 V202	P171-K174 WeakPolarHBondContact O-CE 3.33Å; K172-K174 PolarHBondContact O-N 3.33Å; K174-I178 HydrophobicContact CD-CB 4.35Å; K174-I178 HydrophobicContact CD-CG2 4.05Å; K174-I178 PolarHBondContact NZ-O 3.36Å; K174-L180 HydrophobicContact CD-CD1 4.11Å; K174-L180 HydrophobicContact CD-CG 4.25Å; K174-S201 CarbonylContact C-O 3.44Å; K174-S201 WeakPolarHBondContact CA-O 3.47Å; K174-V202 HydrophobicContact CB-CB 3.58Å; K174-V202 HydrophobicContact CB-CG2 3.66Å
175	F	98.6	Very high	98.4	Very high	53 Å²	53	50 Å²	50	23%	0.232	26%	0.257	C	S	.	.			trans	-74.5	164.1	171.7	-161.6	-125.9	0	0	0	112.8	Y177 I178 A200 S201 M241 N242	F175-Y177 VanDerWaalsContact C-N 3.32Å; F175-Y177 HydrophobicContact CD1-CD2 4.29Å; F175-Y177 HydrophobicContact CD1-CG 4.2Å; F175-Y177 AromaticContact CE1-CD2 3.9Å; F175-Y177 HydrophobicContact CE1-CD2 3.9Å; F175-Y177 HydrophobicContact CE1-CE2 4.31Å; F175-Y177 HydrophobicContact CE1-CG 4.06Å; F175-Y177 PolarHBondContact O-N 2.94Å; F175-I178 PolarHBondContact O-N 3.46Å; F175-A200 HydrophobicContact CB-CB 4.15Å; F175-A200 HydrophobicContact CD1-CB 3.87Å; F175-S201 PolarHBondContact N-O 3.11Å; F175-M241 HydrophobicContact CB-CB 3.99Å; F175-M241 WeakPolarHBondContact CB-O 3.48Å; F175-N242 HydrophobicContact CD1-CB 4.27Å; F175-N242 HydrophobicContact CD2-CB 3.96Å; F175-N242 HydrophobicContact CE1-CB 4.06Å; F175-N242 WeakPolarHBondContact CE1-OD1 3.37Å; F175-N242 HydrophobicContact CE2-CB 3.74Å; F175-N242 HydrophobicContact CG-CB 4.24Å; F175-N242 HydrophobicContact CZ-CB 3.8Å; F175-N242 VanDerWaalsContact CZ-CG 3.48Å
176	S	98.3	Very high	98.4	Very high	69 Å²	69	53.2 Å²	53.2	48%	0.483	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.3	-176.2	57.9	0	0	0	0	112.8	I178 K190	S176-I178 VanDerWaalsContact C-N 3.27Å; S176-I178 PolarHBondContact O-N 3.12Å; S176-K190 WeakPolarHBondContact O-CE 3.31Å
177	Y	98.6	Very high	98.4	Very high	62 Å²	62	53.2 Å²	53.2	24%	0.243	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4	178.7	-66.5	-9.1	0	0	0	114.5	F175 Y189 K190 G191 H192 D198	F175-Y177 VanDerWaalsContact C-N 3.32Å; F175-Y177 HydrophobicContact CD1-CD2 4.29Å; F175-Y177 HydrophobicContact CD1-CG 4.2Å; F175-Y177 AromaticContact CE1-CD2 3.9Å; F175-Y177 HydrophobicContact CE1-CD2 3.9Å; F175-Y177 HydrophobicContact CE1-CE2 4.31Å; F175-Y177 HydrophobicContact CE1-CG 4.06Å; F175-Y177 PolarHBondContact O-N 2.94Å; Y177-Y189 HydrophobicContact CD2-CE2 4.5Å; Y177-K190 WeakPolarHBondContact O-CG 3.2Å; Y177-K190 PolarHBondContact O-N 2.97Å; Y177-G191 VanDerWaalsContact CG-CA 3.44Å; Y177-H192 AromaticContact CZ-ND1 3.95Å; Y177-H192 PolarHBondContact OH-ND1 3.32Å; Y177-D198 HydrophobicContact CE2-CB 4.35Å
178	I	98.8	Very high	98.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	127.5	166	-67.3	-51.4	0	0	0	110.4	K174 F175 S176 L180 V187 K190 A200 V202 L318	K174-I178 HydrophobicContact CD-CB 4.35Å; K174-I178 HydrophobicContact CD-CG2 4.05Å; K174-I178 PolarHBondContact NZ-O 3.36Å; F175-I178 PolarHBondContact O-N 3.46Å; S176-I178 VanDerWaalsContact C-N 3.27Å; S176-I178 PolarHBondContact O-N 3.12Å; I178-L180 HydrophobicContact CG2-CD2 3.86Å; I178-L180 HydrophobicContact CG2-CG 4.31Å; I178-V187 HydrophobicContact CD1-CG1 3.86Å; I178-V187 HydrophobicContact CG1-CG1 4.47Å; I178-V187 HydrophobicContact CG2-CG1 3.67Å; I178-K190 WeakPolarHBondContact O-CE 3.06Å; I178-A200 HydrophobicContact CD1-CB 3.94Å; I178-A200 WeakPolarHBondContact CD1-O 3.49Å; I178-A200 HydrophobicContact CG1-CB 3.95Å; I178-V202 HydrophobicContact CG1-CG1 4.49Å; I178-V202 HydrophobicContact CG2-CB 4.21Å; I178-V202 HydrophobicContact CG2-CG1 4.12Å; I178-L318 HydrophobicContact CD1-CB 4.33Å; I178-L318 HydrophobicContact CD1-CD1 4.21Å; I178-L318 HydrophobicContact CD1-CG 4.33Å
179	G	98.7	Very high	98.5	Very high	6 Å²	6	52.5 Å²	52.5	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152.3	158.4	0	0	0	0	0	111.1	H188	G179-H188 WeakPolarHBondContact CA-NE2 3.41Å; G179-H188 PolarHBondContact N-O 3.17Å; G179-H188 PolarHBondContact O-N 2.98Å; G179-H188 PolarHBondContact O-ND1 3.33Å
180	L	98.9	Very high	98.4	Very high	33 Å²	33	58.5 Å²	58.5	17%	0.173	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.8	176.8	-61.1	-180	0	0	0	110.1	W169 P171 K174 I178 N184 R186 V187 H188	W169-L180 HydrophobicContact CB-CD1 3.96Å; W169-L180 HydrophobicContact CB-CD2 3.78Å; W169-L180 HydrophobicContact CG-CD2 4.3Å; P171-L180 HydrophobicContact CB-CD1 4.4Å; K174-L180 HydrophobicContact CD-CD1 4.11Å; K174-L180 HydrophobicContact CD-CG 4.25Å; I178-L180 HydrophobicContact CG2-CD2 3.86Å; I178-L180 HydrophobicContact CG2-CG 4.31Å; L180-N184 HydrophobicContact CD1-CB 4.13Å; L180-R186 CarbonylContact C-O 3.58Å; L180-R186 VanDerWaalsContact CA-O 3.29Å; L180-R186 WeakPolarHBondContact CA-O 3.33Å; L180-V187 HydrophobicContact CD2-CB 4.38Å; L180-V187 HydrophobicContact CD2-CG1 4.35Å; L180-V187 HydrophobicContact CD2-CG2 3.92Å; L180-H188 PolarHBondContact N-CE1 2.87Å
181	S	98.5	Very high	98.4	Very high	44 Å²	44	58.5 Å²	58.5	31%	0.308	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-174.7	170.4	59.9	0	0	0	0	110.4	N184 L185 R186	S181-N184 WeakPolarHBondContact O-CA 3.45Å; S181-N184 PolarHBondContact O-N 2.94Å; S181-L185 PolarHBondContact O-N 3.26Å; S181-R186 PolarHBondContact N-O 3.29Å; S181-R186 PolarHBondContact O-N 3.39Å
182	Q	96.8	Very high	98.3	Very high	124 Å²	124	60.5 Å²	60.5	58%	0.579	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	65.2	-178.9	-52.5	-58.7	-10.3	0	0	112.5	N184 L185 R186	Q182-N184 PolarHBondContact O-N 3.39Å; Q182-N184 VanDerWaalsContact O-N 3.14Å; Q182-L185 VanDerWaalsContact O-CB 3.31Å; Q182-L185 WeakPolarHBondContact O-CB 3.21Å; Q182-L185 PolarHBondContact O-N 2.8Å; Q182-R186 HydrophobicContact CB-CB 3.9Å; Q182-R186 HydrophobicContact CG-CB 3.83Å
183	N	96.2	Very high	98.2	Very high	112 Å²	112	51.2 Å²	51.2	60%	0.599	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	33.4	-177.8	-58.2	-16	0	0	0	114.2	L185	N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.45Å
184	N	98.5	Very high	97.9	Very high	51 Å²	51	57.3 Å²	57.3	27%	0.273	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	30.8	-172.4	-58.3	-30.2	0	0	0	114.2	W169 L180 S181 Q182	W169-N184 VanDerWaalsContact CB-O 3.26Å; W169-N184 WeakPolarHBondContact CB-O 3.37Å; W169-N184 PolarHBondContact N-O 3.12Å; W169-N184 WeakPolarHBondContact O-CB 3.37Å; L180-N184 HydrophobicContact CD1-CB 4.13Å; S181-N184 WeakPolarHBondContact O-CA 3.45Å; S181-N184 PolarHBondContact O-N 2.94Å; Q182-N184 PolarHBondContact O-N 3.39Å; Q182-N184 VanDerWaalsContact O-N 3.14Å
185	L	98.6	Very high	97.7	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.115	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-29.9	170.9	-58.1	176	0	0	0	112.2	W169 S181 Q182 N183 A327 F329 Q331	W169-L185 PolarHBondContact NE1-O 2.7Å; S181-L185 PolarHBondContact O-N 3.26Å; Q182-L185 VanDerWaalsContact O-CB 3.31Å; Q182-L185 WeakPolarHBondContact O-CB 3.21Å; Q182-L185 PolarHBondContact O-N 2.8Å; N183-L185 VanDerWaalsContact C-N 3.29Å; N183-L185 PolarHBondContact O-N 3.45Å; L185-A327 PolarHBondContact O-N 3.22Å; L185-F329 HydrophobicContact CD2-CD2 3.87Å; L185-F329 HydrophobicContact CD2-CE2 4.24Å; L185-Q331 HydrophobicContact CD1-CG 3.97Å
186	R	98.9	Very high	97.3	Very high	70 Å²	70	59 Å²	59	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126	175.2	-178.4	163.1	-70.7	-174.9	1	111.2	L180 S181 Q182 V324 V325 D326	L180-R186 CarbonylContact C-O 3.58Å; L180-R186 VanDerWaalsContact CA-O 3.29Å; L180-R186 WeakPolarHBondContact CA-O 3.33Å; S181-R186 PolarHBondContact N-O 3.29Å; S181-R186 PolarHBondContact O-N 3.39Å; Q182-R186 HydrophobicContact CB-CB 3.9Å; Q182-R186 HydrophobicContact CG-CB 3.83Å; R186-V324 HydrophobicContact CG-CG1 3.79Å; R186-V325 WeakPolarHBondContact CA-O 3.43Å; R186-D326 WeakPolarHBondContact CA-OD1 3.39Å; R186-D326 WeakPolarHBondContact CB-OD1 3.36Å; R186-D326 VanDerWaalsContact CG-OD1 3.24Å; R186-D326 WeakPolarHBondContact CG-OD1 3.49Å; R186-D326 IonicContact CZ-OD1 3.45Å; R186-D326 IonicContact CZ-OD2 3.83Å; R186-D326 IonicContact NE-OD1 3.5Å; R186-D326 PolarHBondContact NE-OD1 2.9Å; R186-D326 IonicContact NE-OD2 2.75Å; R186-D326 IonicContact NH2-OD1 3.16Å; R186-D326 PolarHBondContact NH2-OD1 3.45Å; R186-D326 IonicContact NH2-OD2 3.77Å; R186-D326 PolarHBondContact NH2-OD2 2.89Å
187	V	98.9	Very high	97.2	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135	173.1	-169.6	0	0	0	0	108.7	W169 I178 L180 V202 V316 L318 V324 V325	W169-V187 HydrophobicContact CD2-CG2 4.08Å; W169-V187 HydrophobicContact CG-CG2 3.77Å; I178-V187 HydrophobicContact CD1-CG1 3.86Å; I178-V187 HydrophobicContact CG1-CG1 4.47Å; I178-V187 HydrophobicContact CG2-CG1 3.67Å; L180-V187 HydrophobicContact CD2-CB 4.38Å; L180-V187 HydrophobicContact CD2-CG1 4.35Å; L180-V187 HydrophobicContact CD2-CG2 3.92Å; V187-V202 HydrophobicContact CG1-CG1 3.87Å; V187-V202 HydrophobicContact CG2-CG1 4.04Å; V187-V316 HydrophobicContact CB-CG2 4.36Å; V187-V316 HydrophobicContact CG1-CG2 4.28Å; V187-V316 HydrophobicContact CG2-CG2 3.83Å; V187-L318 HydrophobicContact CB-CD1 4.39Å; V187-L318 HydrophobicContact CG1-CD1 3.8Å; V187-V324 WeakPolarHBondContact O-CA 3.46Å; V187-V324 WeakPolarHBondContact O-CG1 3.46Å; V187-V325 HydrophobicContact CB-CG2 3.87Å; V187-V325 HydrophobicContact CG2-CG2 4.28Å; V187-V325 PolarHBondContact N-O 3.4Å; V187-V325 PolarHBondContact O-N 3.08Å
188	H	98.7	Very high	97.1	Very high	60 Å²	60	62 Å²	62	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.7	175.3	56.4	-88.1	0	0	0	111.9	G179 L180 V324	G179-H188 WeakPolarHBondContact CA-NE2 3.41Å; G179-H188 PolarHBondContact N-O 3.17Å; G179-H188 PolarHBondContact O-N 2.98Å; G179-H188 PolarHBondContact O-ND1 3.33Å; L180-H188 PolarHBondContact N-CE1 2.87Å; H188-V324 HydrophobicContact CB-CG1 4.43Å; H188-V324 HydrophobicContact CB-CG2 4.01Å
189	Y	98.8	Very high	97.1	Very high	13 Å²	13	62 Å²	62	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.7	177.5	-173.1	-93.9	0	0	0	111.5	Y177 G191 H192 G193 D198 A200 L318 Q319 T320 E323	Y177-Y189 HydrophobicContact CD2-CE2 4.5Å; Y189-G191 VanDerWaalsContact CE1-CA 3.43Å; Y189-G191 VanDerWaalsContact CE1-N 3.26Å; Y189-G191 WeakPolarHBondContact CE1-O 3.17Å; Y189-G191 VanDerWaalsContact CZ-CA 3.48Å; Y189-G191 WeakPolarHBondContact OH-CA 3.48Å; Y189-H192 PolarHBondContact OH-N 3.39Å; Y189-G193 WeakPolarHBondContact OH-CA 3.31Å; Y189-G193 PolarHBondContact OH-N 2.71Å; Y189-D198 VanDerWaalsContact CE2-O 3.27Å; Y189-D198 WeakPolarHBondContact CE2-O 3.22Å; Y189-D198 WeakPolarHBondContact OH-CB 3.4Å; Y189-D198 PolarHBondContact OH-O 3.34Å; Y189-A200 HydrophobicContact CD2-CB 4.22Å; Y189-A200 HydrophobicContact CE2-CB 3.94Å; Y189-L318 HydrophobicContact CD2-CB 3.93Å; Y189-L318 WeakPolarHBondContact CD2-O 3.36Å; Y189-L318 WeakPolarHBondContact CE2-O 3.33Å; Y189-L318 HydrophobicContact CG-CB 4.29Å; Y189-Q319 WeakPolarHBondContact CE1-O 3.49Å; Y189-Q319 PolarHBondContact OH-O 3.11Å; Y189-T320 VanDerWaalsContact CD1-O 3.25Å; Y189-T320 WeakPolarHBondContact CD1-O 3.29Å; Y189-E323 PolarHBondContact N-O 3.28Å
190	K	98.2	Very high	97.1	Very high	126 Å²	126	61.7 Å²	61.7	55%	0.548	31%	0.305	S	S	.	.			trans	-134.4	22.7	-179.8	61.3	165.9	-176.4	175.9	0	113.7	S176 Y177 I178	S176-K190 WeakPolarHBondContact O-CE 3.31Å; Y177-K190 WeakPolarHBondContact O-CG 3.2Å; Y177-K190 PolarHBondContact O-N 2.97Å; I178-K190 WeakPolarHBondContact O-CE 3.06Å
191	G	97.6	Very high	97.1	Very high	15 Å²	15	60.1 Å²	60.1	16%	0.155	30%	0.297	C	S	.	.	S	Bend	trans	-88.1	-168.8	170.2	0	0	0	0	0	112.7	Y177 Y189	Y177-G191 VanDerWaalsContact CG-CA 3.44Å; Y189-G191 VanDerWaalsContact CE1-CA 3.43Å; Y189-G191 VanDerWaalsContact CE1-N 3.26Å; Y189-G191 WeakPolarHBondContact CE1-O 3.17Å; Y189-G191 VanDerWaalsContact CZ-CA 3.48Å; Y189-G191 WeakPolarHBondContact OH-CA 3.48Å
192	H	96.5	Very high	97.1	Very high	116 Å²	116	58 Å²	58	54%	0.537	28%	0.282	S	S	.	.			trans	-84.7	-27.9	-179.6	-59.4	103.2	0	0	0	113.8	Y177 Y189 K194	Y177-H192 AromaticContact CZ-ND1 3.95Å; Y177-H192 PolarHBondContact OH-ND1 3.32Å; Y189-H192 PolarHBondContact OH-N 3.39Å; H192-K194 HydrophobicContact CB-CG 4.32Å; H192-K194 PolarHBondContact O-N 3.22Å
193	G	95.9	Very high	97.2	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	26%	0.256	C	S	.	.			trans	49.5	51.5	-180	0	0	0	0	0	114.9	Y189 R226 Q319	Y189-G193 WeakPolarHBondContact OH-CA 3.31Å; Y189-G193 PolarHBondContact OH-N 2.71Å; G193-R226 PolarHBondContact O-NH1 2.83Å; G193-R226 PolarHBondContact O-NH2 2.85Å; G193-Q319 WeakPolarHBondContact CA-O 3.28Å
194	K	92.7	Very high	97.3	Very high	172 Å²	172	47 Å²	47	75%	0.748	23%	0.227	S	C	*	.	S	Bend	trans	-99.2	-24	178.1	-67.8	-177.8	178.5	179.5	0	112.7	H192 D198	H192-K194 HydrophobicContact CB-CG 4.32Å; H192-K194 PolarHBondContact O-N 3.22Å; K194-D198 PolarHBondContact N-OD2 3.2Å
195	T	94.2	Very high	97.3	Very high	62 Å²	62	46.7 Å²	46.7	38%	0.38	23%	0.227	S	C	.	.	S	Bend	trans	-149.1	165.3	-171.2	67.2	0	0	0	0	111.2	K197 D198	T195-K197 PolarHBondContact O-N 3.47Å; T195-K197 PolarHBondContact OG1-N 2.89Å; T195-D198 PolarHBondContact N-OD2 2.86Å; T195-D198 WeakPolarHBondContact O-CB 3.36Å; T195-D198 PolarHBondContact O-N 3.32Å; T195-D198 PolarHBondContact OG1-OD2 2.83Å
196	P	91.4	Very high	97.3	Very high	81 Å²	81	48.7 Å²	48.7	53%	0.526	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-60.9	-8.9	168.6	-25.2	35.9	0	0	0	115.3	D198 W247	P196-D198 VanDerWaalsContact C-N 3.3Å; P196-W247 HydrophobicContact CB-CH2 4.1Å; P196-W247 HydrophobicContact CB-CZ3 4.46Å
197	K	94.9	Very high	97.3	Very high	174 Å²	174	47.1 Å²	47.1	76%	0.757	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-85.9	-2.1	172.8	-59.6	-176.7	179	-179.3	0	113.3	T195 N242	T195-K197 PolarHBondContact O-N 3.47Å; T195-K197 PolarHBondContact OG1-N 2.89Å; K197-N242 PolarHBondContact O-OD1 2.79Å
198	D	97.4	Very high	97.3	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.102	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-99.3	4.6	175.1	-59.4	-77.4	0	0	0	112.3	Y177 Y189 K194 T195 P196	Y177-D198 HydrophobicContact CE2-CB 4.35Å; Y189-D198 VanDerWaalsContact CE2-O 3.27Å; Y189-D198 WeakPolarHBondContact CE2-O 3.22Å; Y189-D198 WeakPolarHBondContact OH-CB 3.4Å; Y189-D198 PolarHBondContact OH-O 3.34Å; K194-D198 PolarHBondContact N-OD2 3.2Å; T195-D198 PolarHBondContact N-OD2 2.86Å; T195-D198 WeakPolarHBondContact O-CB 3.36Å; T195-D198 PolarHBondContact O-N 3.32Å; T195-D198 PolarHBondContact OG1-OD2 2.83Å; P196-D198 VanDerWaalsContact C-N 3.3Å
199	A	98.4	Very high	97.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.			trans	-65.9	141.3	179.1	0	0	0	0	0	112.4	N242 R243 L244 W247 Q319	A199-N242 CarbonylContact O-C 3.2Å; A199-N242 VanDerWaalsContact O-CA 3.3Å; A199-N242 WeakPolarHBondContact O-CA 3.38Å; A199-N242 PolarHBondContact O-OD1 2.97Å; A199-R243 PolarHBondContact O-N 2.73Å; A199-L244 HydrophobicContact CB-CD2 4.16Å; A199-L244 HydrophobicContact CB-CG 4.03Å; A199-W247 HydrophobicContact CB-CH2 4.29Å; A199-W247 HydrophobicContact CB-CZ3 3.8Å; A199-Q319 HydrophobicContact CB-CB 4.29Å; A199-Q319 HydrophobicContact CB-CG 4.31Å
200	A	98.8	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	122.1	-169.5	0	0	0	0	0	111.9	F175 I178 Y189 M241 G317 L318	F175-A200 HydrophobicContact CB-CB 4.15Å; F175-A200 HydrophobicContact CD1-CB 3.87Å; I178-A200 HydrophobicContact CD1-CB 3.94Å; I178-A200 WeakPolarHBondContact CD1-O 3.49Å; I178-A200 HydrophobicContact CG1-CB 3.95Å; Y189-A200 HydrophobicContact CD2-CB 4.22Å; Y189-A200 HydrophobicContact CE2-CB 3.94Å; A200-M241 CarbonylContact C-O 3.53Å; A200-M241 WeakPolarHBondContact CA-O 3.48Å; A200-G317 CarbonylContact O-C 3.56Å; A200-G317 WeakPolarHBondContact O-CA 3.47Å; A200-L318 PolarHBondContact N-O 3.49Å; A200-L318 PolarHBondContact O-N 2.81Å
201	S	98.9	Very high	96.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	162.9	179.1	-71.6	0	0	0	0	114.1	K174 F175 M241 R243 V316 G317	K174-S201 CarbonylContact C-O 3.44Å; K174-S201 WeakPolarHBondContact CA-O 3.47Å; F175-S201 PolarHBondContact N-O 3.11Å; S201-M241 PolarHBondContact N-O 2.84Å; S201-R243 WeakPolarHBondContact CB-O 3.41Å; S201-R243 PolarHBondContact OG-O 3.21Å; S201-V316 CarbonylContact C-O 3.56Å; S201-V316 VanDerWaalsContact CA-O 3.23Å; S201-V316 WeakPolarHBondContact CA-O 3.36Å; S201-G317 WeakPolarHBondContact OG-CA 3.43Å
202	V	98.9	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.2	170	50.8	0	0	0	0	110.2	W169 K174 I178 V187 T315 V316	W169-V202 HydrophobicContact CB-CG2 3.8Å; W169-V202 HydrophobicContact CD2-CG1 4.22Å; W169-V202 HydrophobicContact CD2-CG2 4.47Å; W169-V202 HydrophobicContact CE3-CG1 4.1Å; W169-V202 HydrophobicContact CE3-CG2 4.12Å; W169-V202 HydrophobicContact CG-CG1 4.45Å; W169-V202 HydrophobicContact CG-CG2 4.38Å; K174-V202 HydrophobicContact CB-CB 3.58Å; K174-V202 HydrophobicContact CB-CG2 3.66Å; I178-V202 HydrophobicContact CG1-CG1 4.49Å; I178-V202 HydrophobicContact CG2-CB 4.21Å; I178-V202 HydrophobicContact CG2-CG1 4.12Å; V187-V202 HydrophobicContact CG1-CG1 3.87Å; V187-V202 HydrophobicContact CG2-CG1 4.04Å; V202-T315 WeakPolarHBondContact O-CA 3.29Å; V202-T315 WeakPolarHBondContact O-CG2 3.4Å; V202-V316 HydrophobicContact CG1-CG2 3.72Å; V202-V316 PolarHBondContact N-O 3.19Å; V202-V316 PolarHBondContact O-N 3.01Å
203	R	98.9	Very high	96.8	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	156.3	168.3	-83.5	-177	-76	-89.6	-7.6	111.1	S170 D173 S235 A236 V239 M241 Y313 P314 T315	S170-R203 VanDerWaalsContact CB-O 3.25Å; S170-R203 WeakPolarHBondContact CB-O 3.34Å; S170-R203 PolarHBondContact N-O 2.74Å; D173-R203 PolarHBondContact O-N 3.43Å; D173-R203 VanDerWaalsContact O-N 3.08Å; D173-R203 IonicContact OD1-CZ 2.94Å; D173-R203 IonicContact OD1-NE 2.76Å; D173-R203 IonicContact OD1-NH2 3.72Å; D173-R203 PolarHBondContact OD1-NH2 2.85Å; D173-R203 IonicContact OD2-CZ 3.05Å; D173-R203 IonicContact OD2-NE 3.78Å; D173-R203 PolarHBondContact OD2-NE 3.09Å; D173-R203 IonicContact OD2-NH2 3.78Å; D173-R203 PolarHBondContact OD2-NH2 3.38Å; R203-S235 WeakPolarHBondContact CD-OG 3.21Å; R203-S235 WeakPolarHBondContact CG-OG 3.36Å; R203-S235 PolarHBondContact NH1-OG 2.87Å; R203-A236 PolarHBondContact NH1-O 2.9Å; R203-A236 VanDerWaalsContact NH1-O 3.07Å; R203-V239 PolarHBondContact NH1-O 3.14Å; R203-V239 PolarHBondContact NH2-O 3.49Å; R203-V239 VanDerWaalsContact NH2-O 3.13Å; R203-M241 HydrophobicContact CG-SD 4.21Å; R203-M241 VanDerWaalsContact NH1-CE 3.27Å; R203-Y313 HydrophobicContact CB-CD1 4.08Å; R203-Y313 HydrophobicContact CB-CG 4.26Å; R203-Y313 HydrophobicContact CG-CD1 4.46Å; R203-Y313 HydrophobicContact CG-CG 4.16Å; R203-P314 CarbonylContact C-O 3.56Å; R203-P314 WeakPolarHBondContact CA-O 3.46Å; R203-T315 HydrophobicContact CG-CG2 4.31Å
204	A	98.9	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	172.5	167.1	0	0	0	0	0	112.1	P166 S168 W169 H206 Y313 P314 F329	P166-A204 HydrophobicContact CB-CB 3.55Å; S168-A204 CarbonylContact O-C 3.54Å; S168-A204 WeakPolarHBondContact O-CA 3.47Å; W169-A204 HydrophobicContact CE3-CB 4.47Å; W169-A204 HydrophobicContact CZ3-CB 4.49Å; A204-H206 VanDerWaalsContact C-N 3.28Å; A204-H206 PolarHBondContact O-N 3.17Å; A204-Y313 WeakPolarHBondContact O-CD1 3.37Å; A204-P314 HydrophobicContact CB-CB 4.09Å; A204-P314 HydrophobicContact CB-CG 4.1Å; A204-P314 PolarHBondContact N-O 3.39Å; A204-F329 HydrophobicContact CB-CE1 4.42Å; A204-F329 HydrophobicContact CB-CZ 4.28Å
205	T	98.6	Very high	97.2	Very high	44 Å²	44	25 Å²	25	27%	0.27	14%	0.138	S	C	.	.	S	Bend	trans	-60.9	-33.5	178.1	51.8	0	0	0	0	114	S168	S168-T205 PolarHBondContact O-N 3.37Å
206	H	98.7	Very high	97.4	Very high	64 Å²	64	22.1 Å²	22.1	30%	0.296	12%	0.12	S	C	.	.	S	Bend	trans	-137.2	156.1	-170.7	-55.6	132.6	0	0	0	111.1	P164 L165 A204 Y313	P164-H206 VanDerWaalsContact O-CB 3.24Å; P164-H206 WeakPolarHBondContact O-CB 3.29Å; P164-H206 PolarHBondContact O-ND1 3.46Å; L165-H206 PolarHBondContact O-ND1 2.95Å; A204-H206 VanDerWaalsContact C-N 3.28Å; A204-H206 PolarHBondContact O-N 3.17Å; H206-Y313 VanDerWaalsContact O-CD1 3.23Å; H206-Y313 WeakPolarHBondContact O-CD1 3.44Å
207	P	98.3	Very high	97.7	Very high	37 Å²	37	18.2 Å²	18.2	24%	0.24	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-69.5	164.3	167.3	32.4	-34.2	0	0	0	110	P209 N311 L312 Y313	P207-P209 VanDerWaalsContact O-CD 3.32Å; P207-P209 WeakPolarHBondContact O-CD 3.36Å; P207-N311 HydrophobicContact CB-CB 4.2Å; P207-N311 WeakPolarHBondContact CB-O 3.49Å; P207-L312 WeakPolarHBondContact CA-O 3.34Å; P207-Y313 HydrophobicContact CB-CD2 3.94Å; P207-Y313 HydrophobicContact CB-CE2 3.74Å; P207-Y313 HydrophobicContact CB-CG 4.42Å; P207-Y313 HydrophobicContact CG-CE2 4.31Å
208	I	98.3	Very high	97.9	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.015	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-72.4	121.5	171.7	-57.5	166.8	0	0	0	109	Y215 L234 V285 L287 L312 P314	I208-Y215 HydrophobicContact CB-CD1 4.5Å; I208-Y215 HydrophobicContact CB-CG 4.4Å; I208-Y215 HydrophobicContact CD1-CD1 3.45Å; I208-Y215 VanDerWaalsContact CD1-CD1 3.45Å; I208-Y215 HydrophobicContact CD1-CE1 3.99Å; I208-Y215 HydrophobicContact CD1-CG 4.1Å; I208-Y215 HydrophobicContact CG1-CD1 3.66Å; I208-Y215 HydrophobicContact CG1-CE1 3.96Å; I208-Y215 HydrophobicContact CG1-CG 4.03Å; I208-Y215 HydrophobicContact CG2-CD1 3.99Å; I208-Y215 HydrophobicContact CG2-CD2 3.93Å; I208-Y215 HydrophobicContact CG2-CG 3.47Å; I208-Y215 VanDerWaalsContact CG2-CG 3.47Å; I208-L234 HydrophobicContact CD1-CD2 3.94Å; I208-V285 HydrophobicContact CD1-CB 4.24Å; I208-V285 HydrophobicContact CD1-CG2 3.8Å; I208-L287 HydrophobicContact CG2-CD1 3.76Å; I208-L312 WeakPolarHBondContact CG1-O 3.49Å; I208-L312 PolarHBondContact N-O 3.18Å; I208-P314 HydrophobicContact CD1-CG 4.44Å; I208-P314 HydrophobicContact CG1-CG 4.2Å
209	P	96.5	Very high	98	Very high	7 Å²	7	9.3 Å²	9.3	5%	0.045	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-65.9	134.8	173.1	-20.9	33.9	0	0	0	111.9	V158 T163 L165 P207 A211 C212 L287	V158-P209 HydrophobicContact CG1-CB 4.21Å; V158-P209 HydrophobicContact CG1-CG 4.08Å; V158-P209 HydrophobicContact CG2-CB 4.38Å; T163-P209 WeakPolarHBondContact O-CG 3.5Å; L165-P209 HydrophobicContact CD2-CG 3.94Å; P207-P209 VanDerWaalsContact O-CD 3.32Å; P207-P209 WeakPolarHBondContact O-CD 3.36Å; P209-A211 PolarHBondContact O-N 3.13Å; P209-A211 VanDerWaalsContact O-N 3.15Å; P209-C212 WeakPolarHBondContact O-CB 3.32Å; P209-C212 PolarHBondContact O-N 3.38Å; P209-C212 PolarHBondContact O-SG 2.86Å; P209-L287 WeakPolarHBondContact O-CD1 3.36Å
210	A	94	Very high	98	Very high	19 Å²	19	14.5 Å²	14.5	16%	0.157	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.7	174.7	0	0	0	0	0	112.7	C212 G213	A210-C212 PolarHBondContact O-N 3.39Å; A210-C212 VanDerWaalsContact O-N 3.08Å; A210-G213 PolarHBondContact O-N 2.92Å
211	A	94.4	Very high	98	Very high	7 Å²	7	14.5 Å²	14.5	6%	0.058	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-63.2	-5.9	176.7	0	0	0	0	0	115.3	V158 P209 G213 A712 A720	V158-A211 VanDerWaalsContact CG2-C 3.49Å; V158-A211 HydrophobicContact CG2-CB 3.91Å; P209-A211 PolarHBondContact O-N 3.13Å; P209-A211 VanDerWaalsContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.29Å; A211-A712 HydrophobicContact CB-CB 3.98Å; A211-A720 WeakPolarHBondContact O-CB 3.11Å
212	C	97.1	Very high	98	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.014	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-68.1	-32.9	166.3	-55.6	0	0	0	0	111.4	Y155 V158 P209 A210 I214 L287	Y155-C212 HydrophobicContact CD1-CB 3.76Å; Y155-C212 HydrophobicContact CE1-CB 4.23Å; Y155-C212 HydrophobicContact CG-CB 4.36Å; V158-C212 HydrophobicContact CG2-CB 4.48Å; P209-C212 WeakPolarHBondContact O-CB 3.32Å; P209-C212 PolarHBondContact O-N 3.38Å; P209-C212 PolarHBondContact O-SG 2.86Å; A210-C212 PolarHBondContact O-N 3.39Å; A210-C212 VanDerWaalsContact O-N 3.08Å; C212-I214 WeakPolarHBondContact CB-O 3.36Å; C212-I214 PolarHBondContact O-N 3.18Å; C212-L287 HydrophobicContact CB-CD1 4.04Å
213	G	96.7	Very high	98	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	68.2	-52.5	-170.3	0	0	0	0	0	113.6	A210 A211 L287 G717	A210-G213 PolarHBondContact O-N 2.92Å; A211-G213 VanDerWaalsContact C-N 3.29Å; G213-L287 WeakPolarHBondContact O-CA 3.4Å; G213-L287 WeakPolarHBondContact O-CB 3.3Å; G213-L287 PolarHBondContact O-N 2.96Å; G213-G717 WeakPolarHBondContact CA-O 3.44Å
214	I	98.3	Very high	98	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.6	163.9	-64.3	170.1	0	0	0	106.8	Y155 C212 C284 V285 N286 I338 Y341 M342 W345 F721	Y155-I214 WeakPolarHBondContact CE1-O 3.41Å; C212-I214 WeakPolarHBondContact CB-O 3.36Å; C212-I214 PolarHBondContact O-N 3.18Å; I214-C284 WeakPolarHBondContact CG2-SG 3.28Å; I214-V285 CarbonylContact C-O 3.54Å; I214-V285 WeakPolarHBondContact CA-O 3.48Å; I214-N286 HydrophobicContact CG1-CB 4.38Å; I214-I338 HydrophobicContact CG2-CD1 4.1Å; I214-Y341 HydrophobicContact CD1-CD1 4.17Å; I214-Y341 HydrophobicContact CD1-CE1 3.85Å; I214-Y341 HydrophobicContact CG2-CD1 4.3Å; I214-Y341 HydrophobicContact CG2-CE1 4.2Å; I214-M342 HydrophobicContact CB-CE 4.16Å; I214-M342 HydrophobicContact CB-CG 4.36Å; I214-M342 HydrophobicContact CD1-CG 4.45Å; I214-M342 HydrophobicContact CG2-CE 4.16Å; I214-M342 HydrophobicContact CG2-CG 4.44Å; I214-M342 VanDerWaalsContact O-CE 3.31Å; I214-M342 WeakPolarHBondContact O-CE 3.34Å; I214-W345 HydrophobicContact CD1-CB 3.72Å; I214-W345 HydrophobicContact CD1-CD2 4.3Å; I214-W345 HydrophobicContact CD1-CG 3.56Å; I214-F721 HydrophobicContact CB-CZ 4.12Å; I214-F721 HydrophobicContact CD1-CE2 4.15Å; I214-F721 HydrophobicContact CD1-CZ 3.73Å; I214-F721 HydrophobicContact CG1-CE2 3.97Å; I214-F721 HydrophobicContact CG1-CZ 3.84Å
215	Y	98.7	Very high	98	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.8	174.9	178.4	-94.4	0	0	0	110.9	Y155 L165 P166 I208 F217 C284 V285 P314 F329	Y155-Y215 HydrophobicContact CE1-CD2 4.01Å; Y155-Y215 AromaticContact CE2-CD2 3.97Å; Y155-Y215 HydrophobicContact CE2-CD2 3.97Å; Y155-Y215 AromaticContact CE2-CE2 3.98Å; Y155-Y215 HydrophobicContact CE2-CE2 3.98Å; Y155-Y215 AromaticContact CZ-CD2 3.54Å; Y155-Y215 AromaticContact CZ-CE2 3.9Å; Y155-Y215 WeakPolarHBondContact OH-CD2 3.37Å; L165-Y215 HydrophobicContact CD2-CE2 4.45Å; P166-Y215 HydrophobicContact CG-CE2 4.07Å; P166-Y215 WeakPolarHBondContact CG-OH 3.28Å; I208-Y215 HydrophobicContact CB-CD1 4.5Å; I208-Y215 HydrophobicContact CB-CG 4.4Å; I208-Y215 HydrophobicContact CD1-CD1 3.45Å; I208-Y215 VanDerWaalsContact CD1-CD1 3.45Å; I208-Y215 HydrophobicContact CD1-CE1 3.99Å; I208-Y215 HydrophobicContact CD1-CG 4.1Å; I208-Y215 HydrophobicContact CG1-CD1 3.66Å; I208-Y215 HydrophobicContact CG1-CE1 3.96Å; I208-Y215 HydrophobicContact CG1-CG 4.03Å; I208-Y215 HydrophobicContact CG2-CD1 3.99Å; I208-Y215 HydrophobicContact CG2-CD2 3.93Å; I208-Y215 HydrophobicContact CG2-CG 3.47Å; I208-Y215 VanDerWaalsContact CG2-CG 3.47Å; Y215-F217 HydrophobicContact CD1-CD1 4.39Å; Y215-F217 HydrophobicContact CE1-CB 4.11Å; Y215-F217 AromaticContact CE1-CD1 3.72Å; Y215-F217 HydrophobicContact CE1-CD1 3.72Å; Y215-F217 HydrophobicContact CE1-CG 4.31Å; Y215-C284 CarbonylContact O-C 3.49Å; Y215-C284 WeakPolarHBondContact O-CA 3.3Å; Y215-V285 PolarHBondContact N-O 3.27Å; Y215-V285 PolarHBondContact O-N 3.43Å; Y215-P314 HydrophobicContact CE1-CG 3.96Å; Y215-F329 WeakPolarHBondContact OH-CD1 3.18Å
216	Y	98.9	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	140.8	-180	-169.9	-117.1	0	0	0	112.6	Y155 E218 G282 C283 C284 T295 F334 F336 I338	Y155-Y216 PolarHBondContact OH-N 2.86Å; Y155-Y216 PolarHBondContact OH-O 2.86Å; Y155-Y216 VanDerWaalsContact OH-O 3.09Å; Y216-E218 HydrophobicContact CE1-CG 3.6Å; Y216-E218 WeakPolarHBondContact CE1-OE1 3.44Å; Y216-E218 VanDerWaalsContact OH-CG 3.27Å; Y216-E218 WeakPolarHBondContact OH-CG 3.47Å; Y216-E218 PolarHBondContact OH-OE1 3.32Å; Y216-G282 WeakPolarHBondContact OH-CA 3.24Å; Y216-C283 WeakPolarHBondContact CD2-O 3.41Å; Y216-C284 HydrophobicContact CD2-CB 3.61Å; Y216-C284 HydrophobicContact CE2-CB 4.11Å; Y216-T295 HydrophobicContact CE2-CG2 4.03Å; Y216-T295 PolarHBondContact OH-OG1 2.87Å; Y216-F334 HydrophobicContact CD1-CB 4.35Å; Y216-F334 AromaticContact CD1-CD1 3.76Å; Y216-F334 HydrophobicContact CD1-CD1 3.76Å; Y216-F334 AromaticContact CD1-CD2 3.79Å; Y216-F334 HydrophobicContact CD1-CD2 3.79Å; Y216-F334 AromaticContact CD1-CE1 3.88Å; Y216-F334 HydrophobicContact CD1-CE1 3.88Å; Y216-F334 AromaticContact CD1-CE2 3.91Å; Y216-F334 HydrophobicContact CD1-CE2 3.91Å; Y216-F334 AromaticContact CD1-CG 3.7Å; Y216-F334 HydrophobicContact CD1-CG 3.7Å; Y216-F334 AromaticContact CD1-CZ 3.95Å; Y216-F334 HydrophobicContact CD1-CZ 3.95Å; Y216-F334 HydrophobicContact CE1-CB 3.88Å; Y216-F334 AromaticContact CE1-CD1 3.65Å; Y216-F334 HydrophobicContact CE1-CD1 3.65Å; Y216-F334 HydrophobicContact CE1-CD2 4.2Å; Y216-F334 HydrophobicContact CE1-CE1 4.18Å; Y216-F334 AromaticContact CE1-CG 3.66Å; Y216-F334 HydrophobicContact CE1-CG 3.66Å; Y216-F336 HydrophobicContact CE1-CB 4.05Å; Y216-F336 HydrophobicContact CE1-CD1 4.24Å; Y216-F336 HydrophobicContact CE2-CD1 4.13Å; Y216-F336 AromaticContact CZ-CD1 3.88Å; Y216-F336 WeakPolarHBondContact OH-CB 3.3Å; Y216-I338 HydrophobicContact CD1-CB 3.9Å; Y216-I338 HydrophobicContact CD1-CD1 4.44Å; Y216-I338 HydrophobicContact CD1-CG1 4.09Å; Y216-I338 HydrophobicContact CD1-CG2 4.17Å; Y216-I338 HydrophobicContact CD2-CD1 4.28Å; Y216-I338 HydrophobicContact CE1-CB 4.46Å; Y216-I338 HydrophobicContact CG-CB 4.23Å; Y216-I338 HydrophobicContact CG-CD1 3.91Å; Y216-I338 HydrophobicContact CG-CG1 3.95Å
217	F	98.9	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.9	168.1	73.9	-76	0	0	0	110.2	W169 Y215 V219 I232 L234 G282 C283 P314 F329	W169-F217 HydrophobicContact CH2-CE2 4.34Å; Y215-F217 HydrophobicContact CD1-CD1 4.39Å; Y215-F217 HydrophobicContact CE1-CB 4.11Å; Y215-F217 AromaticContact CE1-CD1 3.72Å; Y215-F217 HydrophobicContact CE1-CD1 3.72Å; Y215-F217 HydrophobicContact CE1-CG 4.31Å; F217-V219 HydrophobicContact CD2-CG2 3.92Å; F217-V219 HydrophobicContact CE2-CG2 3.7Å; F217-I232 HydrophobicContact CE2-CG2 4.47Å; F217-L234 HydrophobicContact CE1-CD2 4.31Å; F217-G282 WeakPolarHBondContact O-CA 3.3Å; F217-C283 HydrophobicContact CD1-CB 3.98Å; F217-C283 HydrophobicContact CE1-CB 3.42Å; F217-C283 VanDerWaalsContact CE1-CB 3.42Å; F217-C283 HydrophobicContact CE2-CB 4.5Å; F217-C283 HydrophobicContact CZ-CB 3.72Å; F217-C283 PolarHBondContact N-O 3.02Å; F217-C283 PolarHBondContact O-N 3.14Å; F217-P314 HydrophobicContact CD1-CB 4.13Å; F217-P314 HydrophobicContact CD1-CG 4.33Å; F217-P314 HydrophobicContact CD2-CB 4.33Å; F217-P314 HydrophobicContact CE1-CB 3.77Å; F217-P314 HydrophobicContact CE1-CG 4.27Å; F217-P314 HydrophobicContact CE2-CB 4.02Å; F217-P314 HydrophobicContact CG-CB 4.38Å; F217-P314 HydrophobicContact CZ-CB 3.73Å; F217-F329 HydrophobicContact CB-CD1 3.82Å; F217-F329 HydrophobicContact CB-CE1 4.21Å; F217-F329 HydrophobicContact CD2-CD1 4.45Å; F217-F329 HydrophobicContact CD2-CE1 4.01Å; F217-F329 HydrophobicContact CG-CD1 4.34Å; F217-F329 HydrophobicContact CG-CE1 4.23Å
218	E	98.9	Very high	97.9	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.028	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.6	177.5	-80.6	176.8	175.8	0	0	111.6	Y216 V280 A327 N328 F334 V335 F336	Y216-E218 HydrophobicContact CE1-CG 3.6Å; Y216-E218 WeakPolarHBondContact CE1-OE1 3.44Å; Y216-E218 VanDerWaalsContact OH-CG 3.27Å; Y216-E218 WeakPolarHBondContact OH-CG 3.47Å; Y216-E218 PolarHBondContact OH-OE1 3.32Å; E218-V280 HydrophobicContact CB-CG1 3.88Å; E218-V280 HydrophobicContact CG-CG1 4.03Å; E218-A327 CarbonylContact O-C 3.29Å; E218-A327 WeakPolarHBondContact O-CA 3.27Å; E218-N328 HydrophobicContact CB-CB 4.37Å; E218-N328 PolarHBondContact N-O 2.9Å; E218-N328 PolarHBondContact O-N 3.49Å; E218-F334 HydrophobicContact CB-CD1 4.03Å; E218-F334 HydrophobicContact CB-CE1 4.33Å; E218-F334 HydrophobicContact CG-CD1 3.79Å; E218-F334 HydrophobicContact CG-CE1 4.38Å; E218-F334 WeakPolarHBondContact OE2-CA 3.4Å; E218-V335 VanDerWaalsContact CD-N 3.34Å; E218-V335 PolarHBondContact OE1-N 3.47Å; E218-V335 PolarHBondContact OE2-N 2.87Å; E218-F336 PolarHBondContact OE1-N 3.32Å
219	V	99	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.8	178.3	178.4	0	0	0	0	108.5	F217 I232 I281 V316 V325 D326	F217-V219 HydrophobicContact CD2-CG2 3.92Å; F217-V219 HydrophobicContact CE2-CG2 3.7Å; V219-I232 HydrophobicContact CB-CD1 3.98Å; V219-I232 HydrophobicContact CB-CG1 4.47Å; V219-I232 HydrophobicContact CB-CG2 4.31Å; V219-I232 HydrophobicContact CG1-CD1 3.88Å; V219-I232 HydrophobicContact CG1-CG1 4.26Å; V219-I232 HydrophobicContact CG2-CG2 3.99Å; V219-I281 PolarHBondContact N-O 2.97Å; V219-I281 PolarHBondContact O-N 3.5Å; V219-V316 HydrophobicContact CG1-CG1 4.14Å; V219-V316 HydrophobicContact CG2-CG1 3.87Å; V219-V325 HydrophobicContact CG1-CB 3.68Å; V219-V325 HydrophobicContact CG1-CG1 4.22Å; V219-V325 HydrophobicContact CG1-CG2 3.91Å; V219-D326 CarbonylContact C-O 3.55Å; V219-D326 WeakPolarHBondContact CA-O 3.44Å
220	K	98.9	Very high	98.1	Very high	108 Å²	108	27.3 Å²	27.3	47%	0.47	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.8	176.3	-179.2	170.1	-175.9	170	0	110.5	V222 V280 V325 D326	K220-V222 PolarHBondContact O-N 2.89Å; K220-V222 VanDerWaalsContact O-N 3.17Å; K220-V280 HydrophobicContact CB-CG2 4.09Å; K220-V280 HydrophobicContact CD-CG2 4.31Å; K220-V280 HydrophobicContact CG-CG2 4.02Å; K220-V325 CarbonylContact O-C 3.59Å; K220-V325 VanDerWaalsContact O-CA 3.26Å; K220-V325 WeakPolarHBondContact O-CA 3.33Å; K220-D326 HydrophobicContact CB-CB 4.49Å; K220-D326 PolarHBondContact N-O 2.83Å; K220-D326 PolarHBondContact O-N 2.94Å
221	I	98.9	Very high	98.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	99.5	174.5	-45.8	-55.8	0	0	0	109.2	K224 M230 I232 F275 T276 G278 D279 V325	I221-K224 HydrophobicContact CG2-CB 4.35Å; I221-M230 HydrophobicContact CD1-CE 4.18Å; I221-M230 HydrophobicContact CD1-SD 4.32Å; I221-M230 HydrophobicContact CG1-CE 4.48Å; I221-M230 HydrophobicContact CG2-CE 3.72Å; I221-M230 HydrophobicContact CG2-SD 3.91Å; I221-I232 HydrophobicContact CD1-CD1 4.1Å; I221-F275 HydrophobicContact CD1-CD2 3.86Å; I221-F275 HydrophobicContact CD1-CE2 3.93Å; I221-F275 HydrophobicContact CG1-CD2 4.01Å; I221-T276 VanDerWaalsContact CB-O 3.31Å; I221-T276 WeakPolarHBondContact CB-O 3.38Å; I221-G278 PolarHBondContact O-N 3.21Å; I221-D279 HydrophobicContact CG1-CB 4.35Å; I221-D279 PolarHBondContact N-O 2.82Å; I221-V325 HydrophobicContact CD1-CG1 3.75Å
222	V	98.9	Very high	98.5	Very high	49 Å²	49	26.2 Å²	26.2	30%	0.297	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-35.6	177.2	-176.9	0	0	0	0	110.6	K220 V324 D326	K220-V222 PolarHBondContact O-N 2.89Å; K220-V222 VanDerWaalsContact O-N 3.17Å; V222-V324 WeakPolarHBondContact CA-O 3.26Å; V222-V324 HydrophobicContact CB-CB 4.07Å; V222-V324 HydrophobicContact CB-CG1 3.87Å; V222-V324 WeakPolarHBondContact CB-O 3.47Å; V222-V324 HydrophobicContact CG1-CB 4.46Å; V222-V324 HydrophobicContact CG1-CG1 4.12Å; V222-V324 HydrophobicContact CG2-CG1 4.29Å; V222-V324 PolarHBondContact N-O 3.12Å; V222-D326 HydrophobicContact CG2-CB 4.02Å; V222-D326 WeakPolarHBondContact CG2-OD2 3.28Å
223	S	98.8	Very high	98.6	Very high	39 Å²	39	26.1 Å²	26.1	27%	0.273	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	129.4	174.1	168	0	0	0	0	109.5	G225 G322 E323 V324	S223-G225 PolarHBondContact O-N 2.77Å; S223-G225 PolarHBondContact OG-N 2.82Å; S223-G225 VanDerWaalsContact OG-N 3.07Å; S223-G322 VanDerWaalsContact CB-O 3.29Å; S223-G322 WeakPolarHBondContact CB-O 3.27Å; S223-G322 PolarHBondContact OG-O 2.88Å; S223-E323 WeakPolarHBondContact O-CA 3.41Å; S223-V324 PolarHBondContact N-O 2.97Å; S223-V324 PolarHBondContact O-N 3.32Å
224	K	98.6	Very high	98.7	Very high	65 Å²	65	26.1 Å²	26.1	28%	0.283	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	1.5	170.7	79.8	110.6	179	166.5	0	114	I221 R226 D227 G228 M230 T277 E323	I221-K224 HydrophobicContact CG2-CB 4.35Å; K224-R226 PolarHBondContact NZ-O 3.48Å; K224-D227 WeakPolarHBondContact CD-O 3.5Å; K224-D227 PolarHBondContact NZ-O 3.01Å; K224-G228 VanDerWaalsContact O-CA 3.27Å; K224-G228 WeakPolarHBondContact O-CA 3.42Å; K224-G228 PolarHBondContact O-N 2.92Å; K224-G228 VanDerWaalsContact O-N 3.15Å; K224-M230 HydrophobicContact CB-CE 3.74Å; K224-M230 HydrophobicContact CB-SD 4.42Å; K224-T277 PolarHBondContact N-OG1 3.33Å; K224-E323 VanDerWaalsContact O-CG 3.26Å; K224-E323 WeakPolarHBondContact O-CG 3.37Å
225	G	98.4	Very high	98.7	Very high	24 Å²	24	26.1 Å²	26.1	25%	0.247	13%	0.128	C	C	.	.			trans	57.7	-138.6	-178.7	0	0	0	0	0	113.1	S223 P321 G322	S223-G225 PolarHBondContact O-N 2.77Å; S223-G225 PolarHBondContact OG-N 2.82Å; S223-G225 VanDerWaalsContact OG-N 3.07Å; G225-P321 WeakPolarHBondContact CA-O 3.4Å; G225-G322 VanDerWaalsContact CA-O 3.3Å; G225-G322 WeakPolarHBondContact CA-O 3.36Å; G225-G322 PolarHBondContact N-O 2.94Å
226	R	98.3	Very high	98.7	Very high	117 Å²	117	27 Å²	27	44%	0.442	14%	0.136	S	C	.	.	S	Bend	trans	-70.4	-66	179.7	-165.6	-170.7	65.7	-140.2	-2.2	111	G193 K224 T320 P321	G193-R226 PolarHBondContact O-NH1 2.83Å; G193-R226 PolarHBondContact O-NH2 2.85Å; K224-R226 PolarHBondContact NZ-O 3.48Å; R226-T320 PolarHBondContact N-OG1 3.34Å; R226-P321 PolarHBondContact N-O 3.49Å; R226-P321 VanDerWaalsContact N-O 3.11Å
227	D	98.3	Very high	98.7	Very high	51 Å²	51	34 Å²	34	27%	0.273	17%	0.169	S	C	.	.	S	Bend	trans	-100.8	-49.3	-169.5	-53.3	-21.2	0	0	0	111	K224 Y229 T320	K224-D227 WeakPolarHBondContact CD-O 3.5Å; K224-D227 PolarHBondContact NZ-O 3.01Å; D227-Y229 HydrophobicContact CB-CD1 4.36Å; D227-Y229 HydrophobicContact CB-CD2 3.8Å; D227-Y229 HydrophobicContact CB-CE1 4.13Å; D227-Y229 HydrophobicContact CB-CE2 3.53Å; D227-Y229 HydrophobicContact CB-CG 4.18Å; D227-Y229 WeakPolarHBondContact OD2-CE2 3.4Å; D227-T320 HydrophobicContact CB-CG2 3.93Å; D227-T320 PolarHBondContact N-OG1 3.49Å
228	G	98.2	Very high	98.7	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	20%	0.202	C	C	.	.			trans	108	25.1	-176.7	0	0	0	0	0	113.9	K224 M230 E323	K224-G228 VanDerWaalsContact O-CA 3.27Å; K224-G228 WeakPolarHBondContact O-CA 3.42Å; K224-G228 PolarHBondContact O-N 2.92Å; K224-G228 VanDerWaalsContact O-N 3.15Å; G228-M230 PolarHBondContact O-N 2.68Å; G228-E323 PolarHBondContact N-OE1 3.14Å
229	Y	98.6	Very high	98.6	Very high	80 Å²	80	37.9 Å²	37.9	31%	0.314	21%	0.206	S	C	.	.			trans	-75.7	67.4	-178.4	-62.9	-36.9	0	0	0	110.5	D227 D257 Q319 T320 E323	D227-Y229 HydrophobicContact CB-CD1 4.36Å; D227-Y229 HydrophobicContact CB-CD2 3.8Å; D227-Y229 HydrophobicContact CB-CE1 4.13Å; D227-Y229 HydrophobicContact CB-CE2 3.53Å; D227-Y229 HydrophobicContact CB-CG 4.18Å; D227-Y229 WeakPolarHBondContact OD2-CE2 3.4Å; Y229-D257 HydrophobicContact CD1-CB 3.81Å; Y229-D257 WeakPolarHBondContact CD1-OD2 3.42Å; Y229-D257 HydrophobicContact CE1-CB 4.05Å; Y229-D257 WeakPolarHBondContact CE1-OD2 3.38Å; Y229-Q319 HydrophobicContact CD2-CG 4.33Å; Y229-Q319 VanDerWaalsContact CD2-NE2 3.27Å; Y229-Q319 PolarHBondContact O-N 3.34Å; Y229-T320 HydrophobicContact CD2-CG2 3.33Å; Y229-T320 HydrophobicContact CE2-CG2 4.04Å; Y229-T320 HydrophobicContact CG-CG2 4.12Å; Y229-E323 PolarHBondContact N-OE1 2.95Å
230	M	98.8	Very high	98.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.226	C	C	.	.			trans	-115.4	116.5	-171.8	-56.9	174.2	-63.9	0	0	109.2	I221 K224 G228 H255 G256 F275 G317 L318 E323 V325	I221-M230 HydrophobicContact CD1-CE 4.18Å; I221-M230 HydrophobicContact CD1-SD 4.32Å; I221-M230 HydrophobicContact CG1-CE 4.48Å; I221-M230 HydrophobicContact CG2-CE 3.72Å; I221-M230 HydrophobicContact CG2-SD 3.91Å; K224-M230 HydrophobicContact CB-CE 3.74Å; K224-M230 HydrophobicContact CB-SD 4.42Å; G228-M230 PolarHBondContact O-N 2.68Å; M230-H255 WeakPolarHBondContact O-CA 3.42Å; M230-G256 PolarHBondContact O-N 3.46Å; M230-F275 HydrophobicContact CB-CE2 4.38Å; M230-F275 HydrophobicContact CE-CD2 4.41Å; M230-F275 HydrophobicContact CE-CE2 4.42Å; M230-F275 WeakPolarHBondContact O-CZ 3.31Å; M230-G317 CarbonylContact C-O 3.55Å; M230-G317 WeakPolarHBondContact CA-O 3.34Å; M230-L318 HydrophobicContact CB-CD2 4.1Å; M230-L318 HydrophobicContact CG-CD2 3.77Å; M230-L318 HydrophobicContact SD-CD2 4.43Å; M230-E323 HydrophobicContact CG-CB 4.37Å; M230-E323 HydrophobicContact CG-CG 3.93Å; M230-E323 HydrophobicContact SD-CB 4.43Å; M230-E323 HydrophobicContact SD-CG 4.11Å; M230-V325 HydrophobicContact SD-CG1 4.21Å
231	G	98.8	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.9	176	0	0	0	0	0	111.3	P245 Y254 V316 G317	G231-P245 WeakPolarHBondContact O-CG 3.43Å; G231-Y254 WeakPolarHBondContact CA-O 3.42Å; G231-V316 CarbonylContact O-C 3.59Å; G231-V316 WeakPolarHBondContact O-CA 3.39Å; G231-G317 PolarHBondContact N-O 3.18Å; G231-G317 PolarHBondContact O-N 3.38Å
232	I	98.9	Very high	98.5	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.5	179	-59.6	167.2	0	0	0	108.1	F217 V219 I221 G253 Y254 F275 I281 Y294 V316	F217-I232 HydrophobicContact CE2-CG2 4.47Å; V219-I232 HydrophobicContact CB-CD1 3.98Å; V219-I232 HydrophobicContact CB-CG1 4.47Å; V219-I232 HydrophobicContact CB-CG2 4.31Å; V219-I232 HydrophobicContact CG1-CD1 3.88Å; V219-I232 HydrophobicContact CG1-CG1 4.26Å; V219-I232 HydrophobicContact CG2-CG2 3.99Å; I221-I232 HydrophobicContact CD1-CD1 4.1Å; I232-G253 CarbonylContact O-C 3.44Å; I232-G253 WeakPolarHBondContact O-CA 3.49Å; I232-Y254 PolarHBondContact N-O 3.5Å; I232-Y254 PolarHBondContact O-N 3.21Å; I232-F275 HydrophobicContact CD1-CE2 3.69Å; I232-F275 HydrophobicContact CD1-CZ 3.73Å; I232-F275 HydrophobicContact CG1-CE2 4.4Å; I232-F275 HydrophobicContact CG1-CZ 4.2Å; I232-I281 HydrophobicContact CD1-CB 3.71Å; I232-I281 HydrophobicContact CD1-CG1 4.08Å; I232-I281 HydrophobicContact CD1-CG2 3.92Å; I232-I281 HydrophobicContact CG2-CG2 4.44Å; I232-Y294 HydrophobicContact CG2-CE1 4.43Å; I232-Y294 WeakPolarHBondContact O-CE1 3.24Å; I232-Y294 PolarHBondContact O-OH 3.42Å; I232-V316 HydrophobicContact CG1-CG1 4.16Å; I232-V316 HydrophobicContact CG2-CG1 4.31Å
233	G	98.9	Very high	98.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-131.2	176.6	0	0	0	0	0	114.6	Y252 Y294 T315	G233-Y252 CarbonylContact C-O 3.55Å; G233-Y252 WeakPolarHBondContact CA-O 3.41Å; G233-Y294 WeakPolarHBondContact CA-OH 3.26Å; G233-T315 CarbonylContact C-O 3.56Å; G233-T315 PolarHBondContact N-O 3.39Å; G233-T315 PolarHBondContact O-N 3Å; G233-T315 VanDerWaalsContact O-O 3.1Å
234	L	98.9	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.8	-166.5	-55.2	172.4	0	0	0	111.6	I208 F217 Y252 V285 C292 L308 L312 Y313	I208-L234 HydrophobicContact CD1-CD2 3.94Å; F217-L234 HydrophobicContact CE1-CD2 4.31Å; L234-Y252 HydrophobicContact CB-CD2 4.4Å; L234-Y252 PolarHBondContact N-O 3.44Å; L234-Y252 PolarHBondContact O-N 3.2Å; L234-Y252 VanDerWaalsContact O-O 3.09Å; L234-V285 HydrophobicContact CD1-CG1 4.27Å; L234-V285 HydrophobicContact CD1-CG2 3.68Å; L234-V285 HydrophobicContact CD2-CG2 3.84Å; L234-V285 HydrophobicContact CG-CG2 4.33Å; L234-C292 HydrophobicContact CD1-CB 4.5Å; L234-L308 HydrophobicContact CD1-CD1 4.16Å; L234-L312 HydrophobicContact CB-CB 4.22Å; L234-L312 HydrophobicContact CB-CD1 4.12Å; L234-L312 HydrophobicContact CB-CD2 4.48Å; L234-L312 HydrophobicContact CD1-CD1 3.82Å; L234-Y313 VanDerWaalsContact CA-O 3.32Å; L234-Y313 WeakPolarHBondContact CA-O 3.46Å
235	S	98.9	Very high	98.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.2	167.1	68.3	0	0	0	0	112.4	R203 Y313 T315	R203-S235 WeakPolarHBondContact CD-OG 3.21Å; R203-S235 WeakPolarHBondContact CG-OG 3.36Å; R203-S235 PolarHBondContact NH1-OG 2.87Å; S235-Y313 PolarHBondContact N-O 3.1Å; S235-Y313 WeakPolarHBondContact O-CB 3.37Å; S235-Y313 PolarHBondContact O-N 2.97Å; S235-T315 PolarHBondContact N-OG1 2.98Å; S235-T315 VanDerWaalsContact N-OG1 3.09Å; S235-T315 PolarHBondContact OG-OG1 3.12Å
236	A	98.7	Very high	98.5	Very high	21 Å²	21	34.7 Å²	34.7	17%	0.174	18%	0.181	C	C	.	.			trans	-70.1	162	172.1	0	0	0	0	0	111.6	R203 G238 V239 H250 L312	R203-A236 PolarHBondContact NH1-O 2.9Å; R203-A236 VanDerWaalsContact NH1-O 3.07Å; A236-G238 PolarHBondContact O-N 2.73Å; A236-V239 HydrophobicContact CB-CG2 4.04Å; A236-V239 WeakPolarHBondContact O-CB 3.39Å; A236-V239 WeakPolarHBondContact O-CG2 3.34Å; A236-V239 PolarHBondContact O-N 3.47Å; A236-H250 HydrophobicContact CB-CB 3.8Å; A236-H250 PolarHBondContact N-O 3.11Å; A236-L312 HydrophobicContact CB-CD2 4.21Å
237	Q	98.5	Very high	98.5	Very high	147 Å²	147	30.8 Å²	30.8	69%	0.687	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	138.5	174.1	-160.9	-178.3	23.8	0	0	111	V239 Y313	Q237-V239 PolarHBondContact O-N 3.19Å; Q237-Y313 HydrophobicContact CB-CE2 3.87Å; Q237-Y313 HydrophobicContact CG-CE2 4.26Å
238	G	97.7	Very high	98.5	Very high	68 Å²	68	30.4 Å²	30.4	70%	0.701	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	-4.1	175.9	0	0	0	0	0	115.9	A236 N240	A236-G238 PolarHBondContact O-N 2.73Å; G238-N240 PolarHBondContact O-N 2.57Å
239	V	98.2	Very high	98.5	Very high	19 Å²	19	37.1 Å²	37.1	12%	0.115	19%	0.193	C	C	.	.			trans	-56.7	139	168.5	171.8	0	0	0	0	109.5	R203 A236 Q237 M241 D248 H250	R203-V239 PolarHBondContact NH1-O 3.14Å; R203-V239 PolarHBondContact NH2-O 3.49Å; R203-V239 VanDerWaalsContact NH2-O 3.13Å; A236-V239 HydrophobicContact CB-CG2 4.04Å; A236-V239 WeakPolarHBondContact O-CB 3.39Å; A236-V239 WeakPolarHBondContact O-CG2 3.34Å; A236-V239 PolarHBondContact O-N 3.47Å; Q237-V239 PolarHBondContact O-N 3.19Å; V239-M241 PolarHBondContact O-N 2.76Å; V239-D248 HydrophobicContact CG1-CB 4.31Å; V239-H250 HydrophobicContact CG2-CB 4.36Å
240	N	98.2	Very high	98.5	Very high	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.202	S	C	.	.			trans	-59.9	126.2	-176.5	177.1	16.7	0	0	0	111.9	G238 N242 R243	G238-N240 PolarHBondContact O-N 2.57Å; N240-N242 PolarHBondContact OD1-N 2.71Å; N240-R243 HydrophobicContact CB-CG 4.22Å; N240-R243 WeakPolarHBondContact ND2-CG 3.19Å
241	M	98.6	Very high	98.5	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.074	20%	0.203	C	C	.	.	S	Bend	trans	-90.6	-5.6	-179	-63.3	-76.1	83.5	0	0	114.1	F175 A200 S201 R203 V239 R243 T315	F175-M241 HydrophobicContact CB-CB 3.99Å; F175-M241 WeakPolarHBondContact CB-O 3.48Å; A200-M241 CarbonylContact C-O 3.53Å; A200-M241 WeakPolarHBondContact CA-O 3.48Å; S201-M241 PolarHBondContact N-O 2.84Å; R203-M241 HydrophobicContact CG-SD 4.21Å; R203-M241 VanDerWaalsContact NH1-CE 3.27Å; V239-M241 PolarHBondContact O-N 2.76Å; M241-R243 PolarHBondContact O-N 2.91Å; M241-T315 HydrophobicContact CE-CG2 4.1Å
242	N	98.3	Very high	98.5	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	21%	0.206	S	C	.	.	S	Bend	trans	-83.9	49.3	170.8	-168.5	8.4	0	0	0	111.3	F175 K197 A199 N240	F175-N242 HydrophobicContact CD1-CB 4.27Å; F175-N242 HydrophobicContact CD2-CB 3.96Å; F175-N242 HydrophobicContact CE1-CB 4.06Å; F175-N242 WeakPolarHBondContact CE1-OD1 3.37Å; F175-N242 HydrophobicContact CE2-CB 3.74Å; F175-N242 HydrophobicContact CG-CB 4.24Å; F175-N242 HydrophobicContact CZ-CB 3.8Å; F175-N242 VanDerWaalsContact CZ-CG 3.48Å; K197-N242 PolarHBondContact O-OD1 2.79Å; A199-N242 CarbonylContact O-C 3.2Å; A199-N242 VanDerWaalsContact O-CA 3.3Å; A199-N242 WeakPolarHBondContact O-CA 3.38Å; A199-N242 PolarHBondContact O-OD1 2.97Å; N240-N242 PolarHBondContact OD1-N 2.71Å
243	R	98.4	Very high	98.5	Very high	71 Å²	71	39.2 Å²	39.2	27%	0.268	21%	0.205	S	C	.	.	S	Bend	trans	-157	164.2	-171.4	-54.5	-65.1	-94.3	140.9	2.5	108.8	A199 S201 N240 M241 W247 D248	A199-R243 PolarHBondContact O-N 2.73Å; S201-R243 WeakPolarHBondContact CB-O 3.41Å; S201-R243 PolarHBondContact OG-O 3.21Å; N240-R243 HydrophobicContact CB-CG 4.22Å; N240-R243 WeakPolarHBondContact ND2-CG 3.19Å; M241-R243 PolarHBondContact O-N 2.91Å; R243-W247 HydrophobicContact CB-CE3 4.16Å; R243-W247 VanDerWaalsContact NH1-CE3 3.28Å; R243-W247 PolarHBondContact NH2-O 3.07Å; R243-D248 WeakPolarHBondContact CG-OD2 3.21Å; R243-D248 IonicContact CZ-OD1 2.74Å; R243-D248 IonicContact NE-OD1 3.35Å; R243-D248 PolarHBondContact NE-OD1 3.28Å; R243-D248 IonicContact NE-OD2 2.71Å; R243-D248 PolarHBondContact NE-OD2 3.12Å; R243-D248 IonicContact NH2-OD1 2.74Å; R243-D248 PolarHBondContact NH2-OD1 3.25Å
244	L	98.7	Very high	98.5	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.205	C	C	.	.			trans	-87.2	156.2	160.8	-62.4	-175.8	0	0	0	110.6	A199 W247 H255 Q319	A199-L244 HydrophobicContact CB-CD2 4.16Å; A199-L244 HydrophobicContact CB-CG 4.03Å; L244-W247 HydrophobicContact CB-CD2 4.03Å; L244-W247 HydrophobicContact CB-CE3 4.19Å; L244-W247 HydrophobicContact CB-CH2 4.37Å; L244-W247 HydrophobicContact CB-CZ2 4.2Å; L244-W247 HydrophobicContact CB-CZ3 4.37Å; L244-W247 HydrophobicContact CD1-CH2 3.98Å; L244-W247 HydrophobicContact CD1-CZ2 3.76Å; L244-W247 HydrophobicContact CG-CH2 3.96Å; L244-W247 HydrophobicContact CG-CZ2 4.06Å; L244-W247 HydrophobicContact CG-CZ3 4.2Å; L244-W247 PolarHBondContact O-N 3.27Å; L244-H255 VanDerWaalsContact CB-CE1 3.42Å; L244-H255 WeakPolarHBondContact CB-CE1 3.32Å; L244-Q319 HydrophobicContact CD2-CB 4.36Å
245	P	98.8	Very high	98.5	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	144.2	174.8	-26.3	36	0	0	0	112.2	G231 W247 Y252 H255 T315	G231-P245 WeakPolarHBondContact O-CG 3.43Å; P245-W247 PolarHBondContact O-N 3.44Å; P245-Y252 WeakPolarHBondContact CB-O 3.49Å; P245-H255 PolarHBondContact O-NE2 2.87Å; P245-T315 HydrophobicContact CG-CG2 3.92Å
246	G	98.7	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	-27.8	-177.9	0	0	0	0	0	116	D248 S251 F262 S264 S265	G246-D248 PolarHBondContact O-N 3.29Å; G246-S251 VanDerWaalsContact CA-C 3.49Å; G246-S251 WeakPolarHBondContact CA-O 3.46Å; G246-S251 PolarHBondContact N-OG 3.05Å; G246-F262 WeakPolarHBondContact CA-O 3.33Å; G246-S264 CarbonylContact O-C 3.55Å; G246-S264 WeakPolarHBondContact O-CA 3.25Å; G246-S264 PolarHBondContact O-N 2.95Å; G246-S264 VanDerWaalsContact O-N 3.15Å; G246-S265 PolarHBondContact O-N 2.83Å; G246-S265 VanDerWaalsContact O-O 3.06Å
247	W	98.3	Very high	98.4	Very high	34 Å²	34	41.7 Å²	41.7	13%	0.129	22%	0.216	C	C	.	.	S	Bend	trans	-71.9	-22.2	-171.1	-75.7	-1.4	0	0	0	116.7	P196 A199 R243 L244 P245 H255 F262 S265 G266	P196-W247 HydrophobicContact CB-CH2 4.1Å; P196-W247 HydrophobicContact CB-CZ3 4.46Å; A199-W247 HydrophobicContact CB-CH2 4.29Å; A199-W247 HydrophobicContact CB-CZ3 3.8Å; R243-W247 HydrophobicContact CB-CE3 4.16Å; R243-W247 VanDerWaalsContact NH1-CE3 3.28Å; R243-W247 PolarHBondContact NH2-O 3.07Å; L244-W247 HydrophobicContact CB-CD2 4.03Å; L244-W247 HydrophobicContact CB-CE3 4.19Å; L244-W247 HydrophobicContact CB-CH2 4.37Å; L244-W247 HydrophobicContact CB-CZ2 4.2Å; L244-W247 HydrophobicContact CB-CZ3 4.37Å; L244-W247 HydrophobicContact CD1-CH2 3.98Å; L244-W247 HydrophobicContact CD1-CZ2 3.76Å; L244-W247 HydrophobicContact CG-CH2 3.96Å; L244-W247 HydrophobicContact CG-CZ2 4.06Å; L244-W247 HydrophobicContact CG-CZ3 4.2Å; L244-W247 PolarHBondContact O-N 3.27Å; P245-W247 PolarHBondContact O-N 3.44Å; W247-H255 AromaticContact CD1-CE1 3.94Å; W247-H255 AromaticContact CE2-CE1 3.94Å; W247-H255 AromaticContact NE1-CE1 3.38Å; W247-H255 PolarHBondContact NE1-CE1 3Å; W247-F262 AromaticContact CD1-CD1 3.5Å; W247-F262 AromaticContact CD1-CE1 3.88Å; W247-F262 AromaticContact NE1-CD1 3.66Å; W247-F262 AromaticContact NE1-CE1 3.55Å; W247-S265 WeakPolarHBondContact CA-O 3.39Å; W247-S265 CarbonylContact O-C 3.58Å; W247-G266 PolarHBondContact O-N 3.02Å
248	D	98	Very high	98.4	Very high	43 Å²	43	37.3 Å²	37.3	23%	0.23	20%	0.197	C	C	.	.	S	Bend	trans	-120.5	158.8	-177.5	-79.4	6.7	0	0	0	110.5	V239 R243 G246 H250 S251 S264	V239-D248 HydrophobicContact CG1-CB 4.31Å; R243-D248 WeakPolarHBondContact CG-OD2 3.21Å; R243-D248 IonicContact CZ-OD1 2.74Å; R243-D248 IonicContact NE-OD1 3.35Å; R243-D248 PolarHBondContact NE-OD1 3.28Å; R243-D248 IonicContact NE-OD2 2.71Å; R243-D248 PolarHBondContact NE-OD2 3.12Å; R243-D248 IonicContact NH2-OD1 2.74Å; R243-D248 PolarHBondContact NH2-OD1 3.25Å; G246-D248 PolarHBondContact O-N 3.29Å; D248-H250 PolarHBondContact O-N 2.88Å; D248-S251 WeakPolarHBondContact O-CB 3.42Å; D248-S251 PolarHBondContact O-N 2.92Å; D248-S264 WeakPolarHBondContact O-CA 3.44Å
249	K	97.7	Very high	98.5	Very high	145 Å²	145	34.1 Å²	34.1	63%	0.63	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	137.1	-178.8	-165	-168.8	179.8	-171.3	0	112.1	S251	K249-S251 PolarHBondContact O-N 3.27Å
250	H	97.9	Very high	98.5	Very high	108 Å²	108	35.9 Å²	35.9	50%	0.5	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	28.6	-174.5	-49.5	-59.7	0	0	0	113.3	A236 V239 D248 S264	A236-H250 HydrophobicContact CB-CB 3.8Å; A236-H250 PolarHBondContact N-O 3.11Å; V239-H250 HydrophobicContact CG2-CB 4.36Å; D248-H250 PolarHBondContact O-N 2.88Å; H250-S264 PolarHBondContact N-OG 3.3Å
251	S	98.8	Very high	98.5	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.1	170.5	-155.6	0	0	0	0	109.2	G246 D248 K249 S264	G246-S251 VanDerWaalsContact CA-C 3.49Å; G246-S251 WeakPolarHBondContact CA-O 3.46Å; G246-S251 PolarHBondContact N-OG 3.05Å; D248-S251 WeakPolarHBondContact O-CB 3.42Å; D248-S251 PolarHBondContact O-N 2.92Å; K249-S251 PolarHBondContact O-N 3.27Å; S251-S264 WeakPolarHBondContact O-CA 3.26Å; S251-S264 PolarHBondContact O-N 3.33Å; S251-S264 PolarHBondContact O-OG 2.77Å
252	Y	98.9	Very high	98.5	Very high	16 Å²	16	32.7 Å²	32.7	6%	0.063	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	133.3	-174.6	-54.6	-89.2	0	0	0	108.6	G233 L234 P245 F262 F305 L308 P309 L312	G233-Y252 CarbonylContact C-O 3.55Å; G233-Y252 WeakPolarHBondContact CA-O 3.41Å; L234-Y252 HydrophobicContact CB-CD2 4.4Å; L234-Y252 PolarHBondContact N-O 3.44Å; L234-Y252 PolarHBondContact O-N 3.2Å; L234-Y252 VanDerWaalsContact O-O 3.09Å; P245-Y252 WeakPolarHBondContact CB-O 3.49Å; Y252-F262 WeakPolarHBondContact CA-O 3.23Å; Y252-F305 HydrophobicContact CD1-CB 4.4Å; Y252-F305 HydrophobicContact CD1-CD1 4.19Å; Y252-F305 HydrophobicContact CD1-CD2 4.19Å; Y252-F305 AromaticContact CD1-CG 4Å; Y252-F305 HydrophobicContact CD1-CG 4Å; Y252-F305 HydrophobicContact CG-CD2 4.38Å; Y252-L308 HydrophobicContact CD1-CD2 3.56Å; Y252-L308 HydrophobicContact CD2-CD2 3.95Å; Y252-L308 HydrophobicContact CE1-CD2 3.5Å; Y252-L308 VanDerWaalsContact CE1-CD2 3.5Å; Y252-L308 HydrophobicContact CE2-CD2 3.91Å; Y252-L308 HydrophobicContact CG-CD2 3.79Å; Y252-P309 HydrophobicContact CE2-CG 4.22Å; Y252-P309 WeakPolarHBondContact OH-CD 3.41Å; Y252-L312 HydrophobicContact CD2-CD1 4.11Å; Y252-L312 HydrophobicContact CD2-CD2 4.18Å; Y252-L312 HydrophobicContact CE2-CD1 4.1Å; Y252-L312 HydrophobicContact CE2-CD2 4.03Å
253	G	98.8	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	154.2	-174.5	0	0	0	0	0	115.3	I232 S261 F262 Y294	I232-G253 CarbonylContact O-C 3.44Å; I232-G253 WeakPolarHBondContact O-CA 3.49Å; G253-S261 CarbonylContact O-C 3.56Å; G253-S261 WeakPolarHBondContact O-CA 3.41Å; G253-F262 PolarHBondContact N-O 2.95Å; G253-F262 PolarHBondContact O-N 3.14Å; G253-Y294 WeakPolarHBondContact CA-OH 3.32Å
254	Y	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.5	173.1	166	-139.9	0	0	0	108.1	G231 I232 H260 Y271 P273 F275 I281 Y294 L301	G231-Y254 WeakPolarHBondContact CA-O 3.42Å; I232-Y254 PolarHBondContact N-O 3.5Å; I232-Y254 PolarHBondContact O-N 3.21Å; Y254-H260 WeakPolarHBondContact CA-O 3.38Å; Y254-Y271 HydrophobicContact CD1-CE1 4.4Å; Y254-Y271 AromaticContact CD2-CD1 3.75Å; Y254-Y271 HydrophobicContact CD2-CD1 3.75Å; Y254-Y271 HydrophobicContact CD2-CE1 4.16Å; Y254-Y271 AromaticContact CE2-CD1 3.95Å; Y254-Y271 HydrophobicContact CE2-CD1 3.95Å; Y254-Y271 HydrophobicContact CE2-CE1 4.32Å; Y254-Y271 HydrophobicContact CG-CD1 4.2Å; Y254-Y271 HydrophobicContact CG-CE1 4.2Å; Y254-P273 WeakPolarHBondContact OH-CD 3.45Å; Y254-P273 PolarHBondContact OH-O 3.33Å; Y254-F275 HydrophobicContact CD1-CD1 4.33Å; Y254-F275 AromaticContact CD1-CE1 3.74Å; Y254-F275 HydrophobicContact CD1-CE1 3.74Å; Y254-F275 HydrophobicContact CD2-CE1 4.11Å; Y254-F275 AromaticContact CE1-CD1 3.8Å; Y254-F275 HydrophobicContact CE1-CD1 3.8Å; Y254-F275 AromaticContact CE1-CE1 3.69Å; Y254-F275 HydrophobicContact CE1-CE1 3.69Å; Y254-F275 HydrophobicContact CE2-CD1 4.2Å; Y254-F275 HydrophobicContact CE2-CE1 4.05Å; Y254-F275 AromaticContact CG-CE1 3.97Å; Y254-F275 HydrophobicContact CG-CE1 3.97Å; Y254-F275 AromaticContact CZ-CD1 3.73Å; Y254-F275 AromaticContact CZ-CE1 3.86Å; Y254-I281 HydrophobicContact CD1-CG2 3.87Å; Y254-I281 HydrophobicContact CE1-CD1 4.26Å; Y254-I281 HydrophobicContact CE1-CG2 3.89Å; Y254-Y294 AromaticContact CD1-CD1 3.68Å; Y254-Y294 HydrophobicContact CD1-CD1 3.68Å; Y254-Y294 HydrophobicContact CD1-CD2 4.04Å; Y254-Y294 HydrophobicContact CD1-CE1 4.3Å; Y254-Y294 AromaticContact CD1-CG 3.53Å; Y254-Y294 HydrophobicContact CD1-CG 3.53Å; Y254-Y294 HydrophobicContact CE1-CG 4.31Å; Y254-Y294 HydrophobicContact CG-CD1 4.34Å; Y254-Y294 HydrophobicContact CG-CD2 4.17Å; Y254-Y294 HydrophobicContact CG-CE2 4.43Å; Y254-Y294 HydrophobicContact CG-CG 4.12Å; Y254-L301 HydrophobicContact CE1-CD1 3.64Å; Y254-L301 WeakPolarHBondContact OH-CD1 3.31Å
255	H	98.9	Very high	98.4	Very high	4 Å²	4	34 Å²	34	2%	0.019	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	140.9	-165.6	-70.8	-138.9	0	0	0	111.8	M230 L244 P245 W247 G259 H260 F262	M230-H255 WeakPolarHBondContact O-CA 3.42Å; L244-H255 VanDerWaalsContact CB-CE1 3.42Å; L244-H255 WeakPolarHBondContact CB-CE1 3.32Å; P245-H255 PolarHBondContact O-NE2 2.87Å; W247-H255 AromaticContact CD1-CE1 3.94Å; W247-H255 AromaticContact CE2-CE1 3.94Å; W247-H255 AromaticContact NE1-CE1 3.38Å; W247-H255 PolarHBondContact NE1-CE1 3Å; H255-G259 VanDerWaalsContact O-CA 3.29Å; H255-G259 WeakPolarHBondContact O-CA 3.46Å; H255-G259 PolarHBondContact O-N 3.03Å; H255-H260 PolarHBondContact N-O 3.49Å; H255-H260 VanDerWaalsContact N-O 3.11Å; H255-F262 HydrophobicContact CB-CD2 4.32Å; H255-F262 HydrophobicContact CB-CE2 3.86Å; H255-F262 AromaticContact CD2-CD2 3.3Å; H255-F262 WeakPolarHBondContact CD2-CD2 3.37Å; H255-F262 AromaticContact CD2-CE2 3.67Å; H255-F262 AromaticContact CE1-CD2 3.98Å; H255-F262 AromaticContact CG-CD2 3.71Å; H255-F262 AromaticContact CG-CE2 3.54Å; H255-F262 AromaticContact ND1-CE2 3.82Å; H255-F262 AromaticContact NE2-CD2 3.53Å; H255-F262 AromaticContact NE2-CG 3.86Å
256	G	98.6	Very high	98.2	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-28.7	-166.8	0	0	0	0	0	115.8	M230 T274 F275	M230-G256 PolarHBondContact O-N 3.46Å; G256-T274 CarbonylContact O-C 3.59Å; G256-T274 VanDerWaalsContact O-CA 3.32Å; G256-T274 WeakPolarHBondContact O-CA 3.33Å; G256-T274 WeakPolarHBondContact O-CB 3.5Å; G256-F275 VanDerWaalsContact CA-CE1 3.47Å; G256-F275 VanDerWaalsContact CA-CE2 3.43Å; G256-F275 VanDerWaalsContact N-CZ 3.28Å; G256-F275 PolarHBondContact O-N 3.15Å
257	D	98.4	Very high	98.1	Very high	67 Å²	67	41.1 Å²	41.1	36%	0.358	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-32.3	-176.1	57.9	-69.8	0	0	0	113.8	Y229 T274	Y229-D257 HydrophobicContact CD1-CB 3.81Å; Y229-D257 WeakPolarHBondContact CD1-OD2 3.42Å; Y229-D257 HydrophobicContact CE1-CB 4.05Å; Y229-D257 WeakPolarHBondContact CE1-OD2 3.38Å; D257-T274 VanDerWaalsContact O-CG2 3.24Å; D257-T274 WeakPolarHBondContact O-CG2 3.45Å
258	D	98.5	Very high	98.1	Very high	55 Å²	55	40.1 Å²	40.1	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-14.9	-178.4	71	0.8	0	0	0	114.2	H260	D258-H260 PolarHBondContact O-CE1 3.23Å; D258-H260 PolarHBondContact O-N 3.4Å; D258-H260 PolarHBondContact O-ND1 3.2Å; D258-H260 WeakPolarHBondContact OD1-CB 3.38Å; D258-H260 IonicContact OD1-CG 3.85Å; D258-H260 PolarHBondContact OD1-N 3.09Å; D258-H260 IonicContact OD1-ND1 2.74Å; D258-H260 WeakPolarHBondContact OD2-CB 3.43Å; D258-H260 IonicContact OD2-CG 3.89Å; D258-H260 IonicContact OD2-ND1 3.75Å
259	G	98.7	Very high	98.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	25%	0.247	C	C	.	.			trans	71.4	10	-176	0	0	0	0	0	114.5	H255 G272 P273	H255-G259 VanDerWaalsContact O-CA 3.29Å; H255-G259 WeakPolarHBondContact O-CA 3.46Å; H255-G259 PolarHBondContact O-N 3.03Å; G259-G272 PolarHBondContact O-N 3.08Å; G259-P273 WeakPolarHBondContact CA-O 3.46Å
260	H	98.8	Very high	98.2	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.259	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	152.7	-174.7	-70.7	48.1	0	0	0	112.3	Y254 H255 D258 F262 Q269	Y254-H260 WeakPolarHBondContact CA-O 3.38Å; H255-H260 PolarHBondContact N-O 3.49Å; H255-H260 VanDerWaalsContact N-O 3.11Å; D258-H260 PolarHBondContact O-CE1 3.23Å; D258-H260 PolarHBondContact O-N 3.4Å; D258-H260 PolarHBondContact O-ND1 3.2Å; D258-H260 WeakPolarHBondContact OD1-CB 3.38Å; D258-H260 IonicContact OD1-CG 3.85Å; D258-H260 PolarHBondContact OD1-N 3.09Å; D258-H260 IonicContact OD1-ND1 2.74Å; D258-H260 WeakPolarHBondContact OD2-CB 3.43Å; D258-H260 IonicContact OD2-CG 3.89Å; D258-H260 IonicContact OD2-ND1 3.75Å; H260-F262 HydrophobicContact CB-CD2 4.39Å; H260-F262 HydrophobicContact CB-CE2 3.79Å; H260-F262 HydrophobicContact CB-CZ 4.41Å; H260-Q269 CarbonylContact C-O 3.6Å; H260-Q269 WeakPolarHBondContact CA-O 3.45Å; H260-Q269 VanDerWaalsContact CB-O 3.26Å; H260-Q269 WeakPolarHBondContact CB-O 3.36Å
261	S	98.7	Very high	98.2	Very high	13 Å²	13	39 Å²	39	9%	0.091	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.5	167.8	68.9	0	0	0	0	110.6	G253 G268 Q269	G253-S261 CarbonylContact O-C 3.56Å; G253-S261 WeakPolarHBondContact O-CA 3.41Å; S261-G268 CarbonylContact O-C 3.56Å; S261-G268 VanDerWaalsContact O-CA 3.23Å; S261-G268 WeakPolarHBondContact O-CA 3.42Å; S261-Q269 PolarHBondContact N-O 3.3Å; S261-Q269 PolarHBondContact O-N 3.06Å
262	F	98.7	Very high	98.2	Very high	14 Å²	14	40 Å²	40	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.1	-178.2	-69.7	-104.1	0	0	0	108.1	G246 W247 Y252 G253 H255 H260	G246-F262 WeakPolarHBondContact CA-O 3.33Å; W247-F262 AromaticContact CD1-CD1 3.5Å; W247-F262 AromaticContact CD1-CE1 3.88Å; W247-F262 AromaticContact NE1-CD1 3.66Å; W247-F262 AromaticContact NE1-CE1 3.55Å; Y252-F262 WeakPolarHBondContact CA-O 3.23Å; G253-F262 PolarHBondContact N-O 2.95Å; G253-F262 PolarHBondContact O-N 3.14Å; H255-F262 HydrophobicContact CB-CD2 4.32Å; H255-F262 HydrophobicContact CB-CE2 3.86Å; H255-F262 AromaticContact CD2-CD2 3.3Å; H255-F262 WeakPolarHBondContact CD2-CD2 3.37Å; H255-F262 AromaticContact CD2-CE2 3.67Å; H255-F262 AromaticContact CE1-CD2 3.98Å; H255-F262 AromaticContact CG-CD2 3.71Å; H255-F262 AromaticContact CG-CE2 3.54Å; H255-F262 AromaticContact ND1-CE2 3.82Å; H255-F262 AromaticContact NE2-CD2 3.53Å; H255-F262 AromaticContact NE2-CG 3.86Å; H260-F262 HydrophobicContact CB-CD2 4.39Å; H260-F262 HydrophobicContact CB-CE2 3.79Å; H260-F262 HydrophobicContact CB-CZ 4.41Å
263	C	98.3	Very high	98.2	Very high	65 Å²	65	42.1 Å²	42.1	44%	0.439	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	96.3	-176.3	-170.9	0	0	0	0	110.1	S265 F305	C263-S265 WeakPolarHBondContact O-CB 3.27Å; C263-S265 PolarHBondContact O-N 2.69Å; C263-F305 HydrophobicContact CB-CD1 3.71Å; C263-F305 HydrophobicContact CB-CE1 3.7Å
264	S	97.9	Very high	98.2	Very high	40 Å²	40	45.9 Å²	45.9	28%	0.28	29%	0.285	S	S	.	.	S	Bend	trans	49	32.7	180	-72.3	0	0	0	0	115.1	G246 D248 H250 S251	G246-S264 CarbonylContact O-C 3.55Å; G246-S264 WeakPolarHBondContact O-CA 3.25Å; G246-S264 PolarHBondContact O-N 2.95Å; G246-S264 VanDerWaalsContact O-N 3.15Å; D248-S264 WeakPolarHBondContact O-CA 3.44Å; H250-S264 PolarHBondContact N-OG 3.3Å; S251-S264 WeakPolarHBondContact O-CA 3.26Å; S251-S264 PolarHBondContact O-N 3.33Å; S251-S264 PolarHBondContact O-OG 2.77Å
265	S	96.4	Very high	98.2	Very high	47 Å²	47	46.1 Å²	46.1	33%	0.329	29%	0.286	S	S	.	.	S	Bend	trans	-152.6	142	-168.8	177.5	0	0	0	0	111	G246 W247 C263 T267	G246-S265 PolarHBondContact O-N 2.83Å; G246-S265 VanDerWaalsContact O-O 3.06Å; W247-S265 WeakPolarHBondContact CA-O 3.39Å; W247-S265 CarbonylContact O-C 3.58Å; C263-S265 WeakPolarHBondContact O-CB 3.27Å; C263-S265 PolarHBondContact O-N 2.69Å; S265-T267 PolarHBondContact O-N 2.78Å; S265-T267 PolarHBondContact OG-N 3.35Å; S265-T267 VanDerWaalsContact OG-N 3.11Å; S265-T267 PolarHBondContact OG-O 2.9Å
266	G	94.5	Very high	98.2	Very high	49 Å²	49	49 Å²	49	51%	0.505	30%	0.304	S	S	.	.	S	Bend	trans	-74	-3.1	170.8	0	0	0	0	0	114.5	W247	W247-G266 PolarHBondContact O-N 3.02Å
267	T	97.2	Very high	98.2	Very high	100 Å²	100	52.5 Å²	52.5	61%	0.613	33%	0.325	S	S	*	.	S	Bend	trans	-106.6	113	175.5	-55.6	0	0	0	0	109.3	S265	S265-T267 PolarHBondContact O-N 2.78Å; S265-T267 PolarHBondContact OG-N 3.35Å; S265-T267 VanDerWaalsContact OG-N 3.11Å; S265-T267 PolarHBondContact OG-O 2.9Å
268	G	97.5	Very high	98.2	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	33%	0.332	C	S	.	.			trans	-74.1	165.1	176.3	0	0	0	0	0	112.7	S261	S261-G268 CarbonylContact O-C 3.56Å; S261-G268 VanDerWaalsContact O-CA 3.23Å; S261-G268 WeakPolarHBondContact O-CA 3.42Å
269	Q	98.3	Very high	98.2	Very high	119 Å²	119	49.9 Å²	49.9	56%	0.556	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	143	172.1	-63.3	-63.8	-80.4	0	0	109.8	H260 S261 Y271	H260-Q269 CarbonylContact C-O 3.6Å; H260-Q269 WeakPolarHBondContact CA-O 3.45Å; H260-Q269 VanDerWaalsContact CB-O 3.26Å; H260-Q269 WeakPolarHBondContact CB-O 3.36Å; S261-Q269 PolarHBondContact N-O 3.3Å; S261-Q269 PolarHBondContact O-N 3.06Å; Q269-Y271 PolarHBondContact O-N 2.98Å
270	P	98.5	Very high	98.2	Very high	106 Å²	106	50.8 Å²	50.8	69%	0.688	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	130.1	176	-24.4	33.6	0	0	0	111.2
271	Y	98.7	Very high	98.2	Very high	48 Å²	48	48.1 Å²	48.1	19%	0.188	32%	0.315	C	S	.	.			trans	-142.7	-64.2	-173.7	168.4	-113	0	0	0	112.6	Y254 Q269 Y294 L301 G302 A304	Y254-Y271 HydrophobicContact CD1-CE1 4.4Å; Y254-Y271 AromaticContact CD2-CD1 3.75Å; Y254-Y271 HydrophobicContact CD2-CD1 3.75Å; Y254-Y271 HydrophobicContact CD2-CE1 4.16Å; Y254-Y271 AromaticContact CE2-CD1 3.95Å; Y254-Y271 HydrophobicContact CE2-CD1 3.95Å; Y254-Y271 HydrophobicContact CE2-CE1 4.32Å; Y254-Y271 HydrophobicContact CG-CD1 4.2Å; Y254-Y271 HydrophobicContact CG-CE1 4.2Å; Q269-Y271 PolarHBondContact O-N 2.98Å; Y271-Y294 AromaticContact CE1-CD2 3.62Å; Y271-Y294 HydrophobicContact CE1-CD2 3.62Å; Y271-Y294 HydrophobicContact CE1-CG 4.23Å; Y271-Y294 AromaticContact CZ-CD2 3.99Å; Y271-Y294 PolarHBondContact OH-N 3.39Å; Y271-L301 HydrophobicContact CE1-CB 4.21Å; Y271-L301 HydrophobicContact CE1-CD1 4.33Å; Y271-L301 HydrophobicContact CE2-CB 4.49Å; Y271-L301 WeakPolarHBondContact OH-CB 3.33Å; Y271-G302 WeakPolarHBondContact CE2-O 3.44Å; Y271-G302 PolarHBondContact OH-O 2.99Å; Y271-A304 HydrophobicContact CD1-CB 4.48Å; Y271-A304 HydrophobicContact CD2-CB 4.15Å; Y271-A304 HydrophobicContact CE1-CB 4.04Å; Y271-A304 HydrophobicContact CE2-CB 3.68Å
272	G	98.4	Very high	98.2	Very high	24 Å²	24	47.5 Å²	47.5	25%	0.247	31%	0.311	C	S	.	.	S	Bend	trans	-121.8	179.6	-174.1	0	0	0	0	0	113.3	G259	G259-G272 PolarHBondContact O-N 3.08Å
273	P	98.6	Very high	98.2	Very high	62 Å²	62	46.8 Å²	46.8	40%	0.403	31%	0.308	S	S	.	.			trans	-67.7	165.1	164.6	32.2	-36.5	0	0	0	111.1	Y254 G259 K296 L301	Y254-P273 WeakPolarHBondContact OH-CD 3.45Å; Y254-P273 PolarHBondContact OH-O 3.33Å; G259-P273 WeakPolarHBondContact CA-O 3.46Å; P273-K296 HydrophobicContact CG-CD 3.78Å; P273-L301 HydrophobicContact CG-CD2 4.37Å
274	T	98.8	Very high	98.3	Very high	78 Å²	78	43.7 Å²	43.7	48%	0.479	29%	0.287	S	S	.	.			trans	-66.9	161.1	165.6	51.9	0	0	0	0	111.4	G256 D257 K296	G256-T274 CarbonylContact O-C 3.59Å; G256-T274 VanDerWaalsContact O-CA 3.32Å; G256-T274 WeakPolarHBondContact O-CA 3.33Å; G256-T274 WeakPolarHBondContact O-CB 3.5Å; D257-T274 VanDerWaalsContact O-CG2 3.24Å; D257-T274 WeakPolarHBondContact O-CG2 3.45Å; T274-K296 PolarHBondContact O-NZ 3.08Å
275	F	98.9	Very high	98.3	Very high	5 Å²	5	42 Å²	42	2%	0.022	27%	0.274	C	S	.	.			trans	-139.9	147	176.5	60.9	-104.2	0	0	0	113.8	I221 M230 I232 Y254 G256 D279 I281	I221-F275 HydrophobicContact CD1-CD2 3.86Å; I221-F275 HydrophobicContact CD1-CE2 3.93Å; I221-F275 HydrophobicContact CG1-CD2 4.01Å; M230-F275 HydrophobicContact CB-CE2 4.38Å; M230-F275 HydrophobicContact CE-CD2 4.41Å; M230-F275 HydrophobicContact CE-CE2 4.42Å; M230-F275 WeakPolarHBondContact O-CZ 3.31Å; I232-F275 HydrophobicContact CD1-CE2 3.69Å; I232-F275 HydrophobicContact CD1-CZ 3.73Å; I232-F275 HydrophobicContact CG1-CE2 4.4Å; I232-F275 HydrophobicContact CG1-CZ 4.2Å; Y254-F275 HydrophobicContact CD1-CD1 4.33Å; Y254-F275 AromaticContact CD1-CE1 3.74Å; Y254-F275 HydrophobicContact CD1-CE1 3.74Å; Y254-F275 HydrophobicContact CD2-CE1 4.11Å; Y254-F275 AromaticContact CE1-CD1 3.8Å; Y254-F275 HydrophobicContact CE1-CD1 3.8Å; Y254-F275 AromaticContact CE1-CE1 3.69Å; Y254-F275 HydrophobicContact CE1-CE1 3.69Å; Y254-F275 HydrophobicContact CE2-CD1 4.2Å; Y254-F275 HydrophobicContact CE2-CE1 4.05Å; Y254-F275 AromaticContact CG-CE1 3.97Å; Y254-F275 HydrophobicContact CG-CE1 3.97Å; Y254-F275 AromaticContact CZ-CD1 3.73Å; Y254-F275 AromaticContact CZ-CE1 3.86Å; G256-F275 VanDerWaalsContact CA-CE1 3.47Å; G256-F275 VanDerWaalsContact CA-CE2 3.43Å; G256-F275 VanDerWaalsContact N-CZ 3.28Å; G256-F275 PolarHBondContact O-N 3.15Å; F275-D279 VanDerWaalsContact CA-OD2 3.29Å; F275-D279 WeakPolarHBondContact CA-OD2 3.45Å; F275-D279 HydrophobicContact CB-CB 4.23Å; F275-I281 HydrophobicContact CB-CD1 3.77Å; F275-I281 HydrophobicContact CB-CG1 4.03Å; F275-I281 HydrophobicContact CD1-CD1 3.85Å; F275-I281 HydrophobicContact CD1-CG1 3.8Å; F275-I281 HydrophobicContact CD2-CG1 3.9Å; F275-I281 HydrophobicContact CE1-CG1 4.17Å; F275-I281 HydrophobicContact CE2-CG1 4.27Å; F275-I281 HydrophobicContact CG-CD1 3.83Å; F275-I281 HydrophobicContact CG-CG1 3.65Å; F275-I281 HydrophobicContact CZ-CG1 4.39Å
276	T	98.9	Very high	98.4	Very high	66 Å²	66	39.7 Å²	39.7	41%	0.405	26%	0.259	S	S	.	.			trans	-150.2	-179.6	-163.4	-168.1	0	0	0	0	112.2	I221 G278 D279	I221-T276 VanDerWaalsContact CB-O 3.31Å; I221-T276 WeakPolarHBondContact CB-O 3.38Å; T276-G278 PolarHBondContact O-N 3.05Å; T276-D279 PolarHBondContact N-OD2 3.19Å; T276-D279 WeakPolarHBondContact O-CB 3.29Å; T276-D279 PolarHBondContact O-N 3.05Å
277	T	98.9	Very high	98.5	Very high	75 Å²	75	38.3 Å²	38.3	46%	0.46	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	121.5	178.5	-55.9	0	0	0	0	112.1	K224	K224-T277 PolarHBondContact N-OG1 3.33Å
278	G	98.7	Very high	98.4	Very high	49 Å²	49	35.6 Å²	35.6	51%	0.505	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.5	-26.5	-179.3	0	0	0	0	0	114.4	I221 T276	I221-G278 PolarHBondContact O-N 3.21Å; T276-G278 PolarHBondContact O-N 3.05Å
279	D	98.9	Very high	98.3	Very high	18 Å²	18	38.2 Å²	38.2	10%	0.096	23%	0.232	C	C	.	.			trans	-66.4	152	178.2	-72.1	-45.7	0	0	0	112.3	I221 F275 T276 K296 N297	I221-D279 HydrophobicContact CG1-CB 4.35Å; I221-D279 PolarHBondContact N-O 2.82Å; F275-D279 VanDerWaalsContact CA-OD2 3.29Å; F275-D279 WeakPolarHBondContact CA-OD2 3.45Å; F275-D279 HydrophobicContact CB-CB 4.23Å; T276-D279 PolarHBondContact N-OD2 3.19Å; T276-D279 WeakPolarHBondContact O-CB 3.29Å; T276-D279 PolarHBondContact O-N 3.05Å; D279-K296 VanDerWaalsContact CG-NZ 3.28Å; D279-K296 WeakPolarHBondContact OD1-CE 3.38Å; D279-K296 IonicContact OD1-NZ 2.62Å; D279-K296 PolarHBondContact OD1-NZ 2.98Å; D279-K296 WeakPolarHBondContact OD2-CE 3.49Å; D279-K296 IonicContact OD2-NZ 3.27Å; D279-K296 PolarHBondContact OD2-NZ 3.33Å; D279-N297 WeakPolarHBondContact CA-OD1 3.41Å; D279-N297 PolarHBondContact OD1-ND2 3.42Å
280	V	98.9	Very high	98.2	Very high	19 Å²	19	35.9 Å²	35.9	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	121.7	168.1	-179	0	0	0	0	108.4	E218 K220 N297 V335	E218-V280 HydrophobicContact CB-CG1 3.88Å; E218-V280 HydrophobicContact CG-CG1 4.03Å; K220-V280 HydrophobicContact CB-CG2 4.09Å; K220-V280 HydrophobicContact CD-CG2 4.31Å; K220-V280 HydrophobicContact CG-CG2 4.02Å; V280-N297 PolarHBondContact N-OD1 3.03Å; V280-N297 PolarHBondContact O-N 3.24Å; V280-N297 PolarHBondContact O-OD1 3.49Å; V280-V335 HydrophobicContact CB-CG2 4.22Å; V280-V335 HydrophobicContact CG1-CG2 3.98Å; V280-V335 HydrophobicContact CG2-CG2 4.2Å
281	I	98.9	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.8	178.1	-59.1	-53.6	0	0	0	109.2	V219 I232 Y254 F275 Y294 T295 K296	V219-I281 PolarHBondContact N-O 2.97Å; V219-I281 PolarHBondContact O-N 3.5Å; I232-I281 HydrophobicContact CD1-CB 3.71Å; I232-I281 HydrophobicContact CD1-CG1 4.08Å; I232-I281 HydrophobicContact CD1-CG2 3.92Å; I232-I281 HydrophobicContact CG2-CG2 4.44Å; Y254-I281 HydrophobicContact CD1-CG2 3.87Å; Y254-I281 HydrophobicContact CE1-CD1 4.26Å; Y254-I281 HydrophobicContact CE1-CG2 3.89Å; F275-I281 HydrophobicContact CB-CD1 3.77Å; F275-I281 HydrophobicContact CB-CG1 4.03Å; F275-I281 HydrophobicContact CD1-CD1 3.85Å; F275-I281 HydrophobicContact CD1-CG1 3.8Å; F275-I281 HydrophobicContact CD2-CG1 3.9Å; F275-I281 HydrophobicContact CE1-CG1 4.17Å; F275-I281 HydrophobicContact CE2-CG1 4.27Å; F275-I281 HydrophobicContact CG-CD1 3.83Å; F275-I281 HydrophobicContact CG-CG1 3.65Å; F275-I281 HydrophobicContact CZ-CG1 4.39Å; I281-Y294 HydrophobicContact CG2-CD1 4.16Å; I281-T295 WeakPolarHBondContact CA-O 3.21Å; I281-K296 HydrophobicContact CD1-CB 3.8Å; I281-K296 HydrophobicContact CD1-CD 4.08Å; I281-K296 HydrophobicContact CD1-CG 3.72Å
282	G	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	155.9	171.9	0	0	0	0	0	112.5	Y216 F217 Y294 T295	Y216-G282 WeakPolarHBondContact OH-CA 3.24Å; F217-G282 WeakPolarHBondContact O-CA 3.3Å; G282-Y294 CarbonylContact O-C 3.59Å; G282-Y294 WeakPolarHBondContact O-CA 3.26Å; G282-Y294 WeakPolarHBondContact O-CB 3.46Å; G282-Y294 VanDerWaalsContact O-CD1 3.31Å; G282-Y294 WeakPolarHBondContact O-CD1 3.47Å; G282-T295 WeakPolarHBondContact CA-OG1 3.35Å; G282-T295 PolarHBondContact N-O 3.24Å; G282-T295 PolarHBondContact N-OG1 3.18Å; G282-T295 VanDerWaalsContact N-OG1 3.11Å; G282-T295 PolarHBondContact O-N 2.91Å
283	C	98.9	Very high	98.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	114.1	173.3	177.7	0	0	0	0	108.3	Y216 F217 C292 Y294	Y216-C283 WeakPolarHBondContact CD2-O 3.41Å; F217-C283 HydrophobicContact CD1-CB 3.98Å; F217-C283 HydrophobicContact CE1-CB 3.42Å; F217-C283 VanDerWaalsContact CE1-CB 3.42Å; F217-C283 HydrophobicContact CE2-CB 4.5Å; F217-C283 HydrophobicContact CZ-CB 3.72Å; F217-C283 PolarHBondContact N-O 3.02Å; F217-C283 PolarHBondContact O-N 3.14Å; C283-C292 VanDerWaalsContact SG-SG 3.63Å; C283-Y294 HydrophobicContact CB-CD1 3.87Å; C283-Y294 HydrophobicContact CB-CE1 3.8Å
284	C	98.9	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.5	-178.3	-168	0	0	0	0	110	I214 Y215 Y216 C292 F293	I214-C284 WeakPolarHBondContact CG2-SG 3.28Å; Y215-C284 CarbonylContact O-C 3.49Å; Y215-C284 WeakPolarHBondContact O-CA 3.3Å; Y216-C284 HydrophobicContact CD2-CB 3.61Å; Y216-C284 HydrophobicContact CE2-CB 4.11Å; C284-C292 WeakPolarHBondContact O-CA 3.36Å; C284-C292 PolarHBondContact O-SG 3.34Å; C284-F293 HydrophobicContact CB-CD1 3.82Å; C284-F293 HydrophobicContact CB-CD2 4.08Å; C284-F293 HydrophobicContact CB-CE1 3.42Å; C284-F293 VanDerWaalsContact CB-CE1 3.42Å; C284-F293 HydrophobicContact CB-CE2 3.73Å; C284-F293 HydrophobicContact CB-CG 4.14Å; C284-F293 HydrophobicContact CB-CZ 3.38Å; C284-F293 PolarHBondContact N-O 3.11Å; C284-F293 PolarHBondContact O-N 3.22Å; C284-F293 WeakPolarHBondContact SG-CE1 3.48Å; C284-F293 VanDerWaalsContact SG-CZ 3.52Å
285	V	98.7	Very high	98.2	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.1	-177.1	-167.8	0	0	0	0	108.6	I208 I214 Y215 L234 L287 L308	I208-V285 HydrophobicContact CD1-CB 4.24Å; I208-V285 HydrophobicContact CD1-CG2 3.8Å; I214-V285 CarbonylContact C-O 3.54Å; I214-V285 WeakPolarHBondContact CA-O 3.48Å; Y215-V285 PolarHBondContact N-O 3.27Å; Y215-V285 PolarHBondContact O-N 3.43Å; L234-V285 HydrophobicContact CD1-CG1 4.27Å; L234-V285 HydrophobicContact CD1-CG2 3.68Å; L234-V285 HydrophobicContact CD2-CG2 3.84Å; L234-V285 HydrophobicContact CG-CG2 4.33Å; V285-L287 HydrophobicContact CG1-CD2 4.03Å; V285-L287 HydrophobicContact CG1-CG 4.42Å; V285-L308 HydrophobicContact CG1-CD1 4.18Å
286	N	97.9	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.4	176.1	-175.8	-36.5	0	0	0	109.1	I214 I288 N289 N290 T291 W345	I214-N286 HydrophobicContact CG1-CB 4.38Å; N286-I288 WeakPolarHBondContact OD1-CA 3.27Å; N286-I288 WeakPolarHBondContact OD1-CB 3.48Å; N286-I288 PolarHBondContact OD1-N 3.03Å; N286-N289 VanDerWaalsContact CB-OD1 3.27Å; N286-N289 WeakPolarHBondContact CB-OD1 3.46Å; N286-N289 PolarHBondContact O-OD1 2.97Å; N286-N289 PolarHBondContact OD1-N 3.15Å; N286-N289 PolarHBondContact OD1-OD1 3.15Å; N286-N289 VanDerWaalsContact OD1-OD1 3.1Å; N286-N290 CarbonylContact O-C 3.54Å; N286-N290 WeakPolarHBondContact O-CA 3.4Å; N286-N290 PolarHBondContact O-N 2.69Å; N286-T291 PolarHBondContact N-O 3.37Å; N286-T291 PolarHBondContact O-N 3.47Å; N286-W345 WeakPolarHBondContact ND2-CZ2 3.5Å
287	L	96.7	Very high	98.2	Very high	20 Å²	20	22.9 Å²	22.9	11%	0.105	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	2	-174.5	-57.5	158.5	0	0	0	111.8	I208 P209 C212 G213 V285 G717	I208-L287 HydrophobicContact CG2-CD1 3.76Å; P209-L287 WeakPolarHBondContact O-CD1 3.36Å; C212-L287 HydrophobicContact CB-CD1 4.04Å; G213-L287 WeakPolarHBondContact O-CA 3.4Å; G213-L287 WeakPolarHBondContact O-CB 3.3Å; G213-L287 PolarHBondContact O-N 2.96Å; V285-L287 HydrophobicContact CG1-CD2 4.03Å; V285-L287 HydrophobicContact CG1-CG 4.42Å; L287-G717 PolarHBondContact O-N 2.98Å
288	I	94.7	Very high	98.2	Very high	43 Å²	43	20.3 Å²	20.3	22%	0.221	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-43.3	169.1	-48.7	162.2	0	0	0	109.6	N286 W345 I349 F721	N286-I288 WeakPolarHBondContact OD1-CA 3.27Å; N286-I288 WeakPolarHBondContact OD1-CB 3.48Å; N286-I288 PolarHBondContact OD1-N 3.03Å; I288-W345 HydrophobicContact CD1-CD2 4.2Å; I288-W345 HydrophobicContact CD1-CE3 3.51Å; I288-W345 HydrophobicContact CD1-CZ3 4.01Å; I288-W345 HydrophobicContact CG2-CZ3 4.49Å; I288-I349 HydrophobicContact CG2-CD1 4.36Å; I288-F721 HydrophobicContact CD1-CD2 3.8Å; I288-F721 HydrophobicContact CD1-CE2 3.79Å; I288-F721 HydrophobicContact CG1-CD2 4.48Å; I288-F721 HydrophobicContact CG1-CE2 4.47Å
289	N	95.3	Very high	98.2	Very high	67 Å²	67	24.5 Å²	24.5	36%	0.358	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	6.7	-175.1	73.4	-8.7	0	0	0	114.1	N286 T291	N286-N289 VanDerWaalsContact CB-OD1 3.27Å; N286-N289 WeakPolarHBondContact CB-OD1 3.46Å; N286-N289 PolarHBondContact O-OD1 2.97Å; N286-N289 PolarHBondContact OD1-N 3.15Å; N286-N289 PolarHBondContact OD1-OD1 3.15Å; N286-N289 VanDerWaalsContact OD1-OD1 3.1Å; N289-T291 PolarHBondContact ND2-OG1 3.43Å; N289-T291 PolarHBondContact O-N 3.31Å; N289-T291 PolarHBondContact OD1-N 2.88Å; N289-T291 PolarHBondContact OD1-OG1 3.49Å
290	N	96.8	Very high	98.2	Very high	71 Å²	71	26.7 Å²	26.7	38%	0.38	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	41.7	178.5	-54.7	-44.5	0	0	0	113.9	N286 T306 D307 L308	N286-N290 CarbonylContact O-C 3.54Å; N286-N290 WeakPolarHBondContact O-CA 3.4Å; N286-N290 PolarHBondContact O-N 2.69Å; N290-T306 CarbonylContact O-C 3.54Å; N290-D307 PolarHBondContact O-N 3.17Å; N290-L308 HydrophobicContact CB-CB 4.4Å; N290-L308 WeakPolarHBondContact O-CB 3.46Å; N290-L308 WeakPolarHBondContact O-CG 3.27Å; N290-L308 PolarHBondContact O-N 2.83Å
291	T	98.5	Very high	98.2	Very high	10 Å²	10	27.9 Å²	27.9	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	161.4	178.9	66	0	0	0	0	112.8	N286 N289 I303 F305 T306	N286-T291 PolarHBondContact N-O 3.37Å; N286-T291 PolarHBondContact O-N 3.47Å; N289-T291 PolarHBondContact ND2-OG1 3.43Å; N289-T291 PolarHBondContact O-N 3.31Å; N289-T291 PolarHBondContact OD1-N 2.88Å; N289-T291 PolarHBondContact OD1-OG1 3.49Å; T291-I303 HydrophobicContact CG2-CG2 4.48Å; T291-F305 CarbonylContact C-O 3.59Å; T291-F305 VanDerWaalsContact CA-O 3.24Å; T291-F305 WeakPolarHBondContact CA-O 3.41Å; T291-F305 WeakPolarHBondContact CB-O 3.44Å; T291-T306 HydrophobicContact CG2-CG2 4.04Å
292	C	98.8	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.4	171.4	170.9	0	0	0	0	111.2	L234 C283 C284 A304 F305 L308	L234-C292 HydrophobicContact CD1-CB 4.5Å; C283-C292 VanDerWaalsContact SG-SG 3.63Å; C284-C292 WeakPolarHBondContact O-CA 3.36Å; C284-C292 PolarHBondContact O-SG 3.34Å; C292-A304 PolarHBondContact O-N 3.4Å; C292-F305 HydrophobicContact CB-CD2 4.11Å; C292-F305 PolarHBondContact N-O 3.47Å; C292-F305 PolarHBondContact O-N 2.88Å; C292-L308 HydrophobicContact CB-CD1 3.59Å
293	F	98.8	Very high	98.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.7	165	65.6	-84.8	0	0	0	110.7	C284 T295 S300 G302 I303 F336 Y341	C284-F293 HydrophobicContact CB-CD1 3.82Å; C284-F293 HydrophobicContact CB-CD2 4.08Å; C284-F293 HydrophobicContact CB-CE1 3.42Å; C284-F293 VanDerWaalsContact CB-CE1 3.42Å; C284-F293 HydrophobicContact CB-CE2 3.73Å; C284-F293 HydrophobicContact CB-CG 4.14Å; C284-F293 HydrophobicContact CB-CZ 3.38Å; C284-F293 PolarHBondContact N-O 3.11Å; C284-F293 PolarHBondContact O-N 3.22Å; C284-F293 WeakPolarHBondContact SG-CE1 3.48Å; C284-F293 VanDerWaalsContact SG-CZ 3.52Å; F293-T295 HydrophobicContact CD2-CG2 4.19Å; F293-T295 HydrophobicContact CE2-CG2 3.9Å; F293-S300 WeakPolarHBondContact CD2-OG 3.24Å; F293-G302 WeakPolarHBondContact CB-O 3.29Å; F293-I303 HydrophobicContact CB-CD1 4.28Å; F293-I303 HydrophobicContact CD1-CD1 4.33Å; F293-F336 HydrophobicContact CE2-CE1 4.12Å; F293-F336 HydrophobicContact CE2-CZ 4.03Å; F293-F336 HydrophobicContact CZ-CE1 4.14Å; F293-F336 HydrophobicContact CZ-CZ 4.19Å; F293-Y341 HydrophobicContact CE1-CD1 4.26Å; F293-Y341 AromaticContact CE1-CE1 3.51Å; F293-Y341 HydrophobicContact CE1-CE1 3.51Å; F293-Y341 HydrophobicContact CE1-CE2 4.09Å; F293-Y341 AromaticContact CE1-CZ 3.41Å; F293-Y341 VanDerWaalsContact CE1-CZ 3.41Å; F293-Y341 WeakPolarHBondContact CE1-OH 3.44Å; F293-Y341 HydrophobicContact CZ-CD1 4Å; F293-Y341 HydrophobicContact CZ-CD2 4.35Å; F293-Y341 AromaticContact CZ-CE1 3.72Å; F293-Y341 HydrophobicContact CZ-CE1 3.72Å; F293-Y341 HydrophobicContact CZ-CE2 4.09Å; F293-Y341 HydrophobicContact CZ-CG 4.3Å; F293-Y341 AromaticContact CZ-CZ 3.77Å
294	Y	98.9	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	159.1	170.3	-64	-92	0	0	0	110.7	I232 G233 G253 Y254 Y271 I281 G282 C283 L301 A304 F305	I232-Y294 HydrophobicContact CG2-CE1 4.43Å; I232-Y294 WeakPolarHBondContact O-CE1 3.24Å; I232-Y294 PolarHBondContact O-OH 3.42Å; G233-Y294 WeakPolarHBondContact CA-OH 3.26Å; G253-Y294 WeakPolarHBondContact CA-OH 3.32Å; Y254-Y294 AromaticContact CD1-CD1 3.68Å; Y254-Y294 HydrophobicContact CD1-CD1 3.68Å; Y254-Y294 HydrophobicContact CD1-CD2 4.04Å; Y254-Y294 HydrophobicContact CD1-CE1 4.3Å; Y254-Y294 AromaticContact CD1-CG 3.53Å; Y254-Y294 HydrophobicContact CD1-CG 3.53Å; Y254-Y294 HydrophobicContact CE1-CG 4.31Å; Y254-Y294 HydrophobicContact CG-CD1 4.34Å; Y254-Y294 HydrophobicContact CG-CD2 4.17Å; Y254-Y294 HydrophobicContact CG-CE2 4.43Å; Y254-Y294 HydrophobicContact CG-CG 4.12Å; Y271-Y294 AromaticContact CE1-CD2 3.62Å; Y271-Y294 HydrophobicContact CE1-CD2 3.62Å; Y271-Y294 HydrophobicContact CE1-CG 4.23Å; Y271-Y294 AromaticContact CZ-CD2 3.99Å; Y271-Y294 PolarHBondContact OH-N 3.39Å; I281-Y294 HydrophobicContact CG2-CD1 4.16Å; G282-Y294 CarbonylContact O-C 3.59Å; G282-Y294 WeakPolarHBondContact O-CA 3.26Å; G282-Y294 WeakPolarHBondContact O-CB 3.46Å; G282-Y294 VanDerWaalsContact O-CD1 3.31Å; G282-Y294 WeakPolarHBondContact O-CD1 3.47Å; C283-Y294 HydrophobicContact CB-CD1 3.87Å; C283-Y294 HydrophobicContact CB-CE1 3.8Å; Y294-L301 WeakPolarHBondContact O-CB 3.39Å; Y294-L301 PolarHBondContact O-N 3.29Å; Y294-A304 HydrophobicContact CD2-CB 3.84Å; Y294-A304 HydrophobicContact CE2-CB 3.81Å; Y294-F305 HydrophobicContact CE2-CD2 4.47Å; Y294-F305 AromaticContact CE2-CE2 3.69Å; Y294-F305 HydrophobicContact CE2-CE2 3.69Å; Y294-F305 HydrophobicContact CE2-CZ 4.29Å
295	T	98.9	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.6	168.1	73.4	0	0	0	0	109.2	Y216 I281 G282 F293 H299 F336	Y216-T295 HydrophobicContact CE2-CG2 4.03Å; Y216-T295 PolarHBondContact OH-OG1 2.87Å; I281-T295 WeakPolarHBondContact CA-O 3.21Å; G282-T295 WeakPolarHBondContact CA-OG1 3.35Å; G282-T295 PolarHBondContact N-O 3.24Å; G282-T295 PolarHBondContact N-OG1 3.18Å; G282-T295 VanDerWaalsContact N-OG1 3.11Å; G282-T295 PolarHBondContact O-N 2.91Å; F293-T295 HydrophobicContact CD2-CG2 4.19Å; F293-T295 HydrophobicContact CE2-CG2 3.9Å; T295-H299 CarbonylContact C-O 3.57Å; T295-H299 WeakPolarHBondContact CA-O 3.38Å; T295-H299 WeakPolarHBondContact CB-O 3.35Å; T295-F336 HydrophobicContact CG2-CB 4.14Å; T295-F336 HydrophobicContact CG2-CD1 4.03Å; T295-F336 HydrophobicContact CG2-CD2 3.9Å; T295-F336 HydrophobicContact CG2-CE1 4.41Å; T295-F336 HydrophobicContact CG2-CE2 4.29Å; T295-F336 HydrophobicContact CG2-CG 3.77Å
296	K	98.9	Very high	98.1	Very high	36 Å²	36	38.4 Å²	38.4	16%	0.157	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.2	165.7	179.4	168.4	-170.5	178	0	109.4	P273 T274 D279 I281 G298 H299 L301	P273-K296 HydrophobicContact CG-CD 3.78Å; T274-K296 PolarHBondContact O-NZ 3.08Å; D279-K296 VanDerWaalsContact CG-NZ 3.28Å; D279-K296 WeakPolarHBondContact OD1-CE 3.38Å; D279-K296 IonicContact OD1-NZ 2.62Å; D279-K296 PolarHBondContact OD1-NZ 2.98Å; D279-K296 WeakPolarHBondContact OD2-CE 3.49Å; D279-K296 IonicContact OD2-NZ 3.27Å; D279-K296 PolarHBondContact OD2-NZ 3.33Å; I281-K296 HydrophobicContact CD1-CB 3.8Å; I281-K296 HydrophobicContact CD1-CD 4.08Å; I281-K296 HydrophobicContact CD1-CG 3.72Å; K296-G298 PolarHBondContact O-N 2.85Å; K296-G298 VanDerWaalsContact O-N 3.14Å; K296-H299 PolarHBondContact N-O 3.03Å; K296-H299 PolarHBondContact O-N 2.89Å; K296-L301 HydrophobicContact CB-CD1 4.17Å; K296-L301 HydrophobicContact CB-CD2 4.31Å; K296-L301 HydrophobicContact CB-CG 4.49Å
297	N	98.8	Very high	98.1	Very high	66 Å²	66	44.2 Å²	44.2	35%	0.353	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	39	175.1	-56.5	-23.1	0	0	0	113.5	D279 V280	D279-N297 WeakPolarHBondContact CA-OD1 3.41Å; D279-N297 PolarHBondContact OD1-ND2 3.42Å; V280-N297 PolarHBondContact N-OD1 3.03Å; V280-N297 PolarHBondContact O-N 3.24Å; V280-N297 PolarHBondContact O-OD1 3.49Å
298	G	98.5	Very high	98.1	Very high	20 Å²	20	43.7 Å²	43.7	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	0.3	-179.6	0	0	0	0	0	116	K296 V335 F336	K296-G298 PolarHBondContact O-N 2.85Å; K296-G298 VanDerWaalsContact O-N 3.14Å; G298-V335 WeakPolarHBondContact CA-O 3.23Å; G298-F336 WeakPolarHBondContact O-CD2 3.38Å
299	H	98.7	Very high	98.2	Very high	138 Å²	138	43.2 Å²	43.2	64%	0.639	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.8	178.2	-56.5	-66.4	0	0	0	111.9	T295 K296	T295-H299 CarbonylContact C-O 3.57Å; T295-H299 WeakPolarHBondContact CA-O 3.38Å; T295-H299 WeakPolarHBondContact CB-O 3.35Å; K296-H299 PolarHBondContact N-O 3.03Å; K296-H299 PolarHBondContact O-N 2.89Å
300	S	98.5	Very high	98.1	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.8	175.5	-178	0	0	0	0	112	F293 G302	F293-S300 WeakPolarHBondContact CD2-OG 3.24Å; S300-G302 PolarHBondContact OG-N 3.07Å
301	L	98.7	Very high	98.1	Very high	44 Å²	44	45.7 Å²	45.7	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	6.4	178.4	-57.5	176	0	0	0	112.8	Y254 Y271 P273 Y294 K296	Y254-L301 HydrophobicContact CE1-CD1 3.64Å; Y254-L301 WeakPolarHBondContact OH-CD1 3.31Å; Y271-L301 HydrophobicContact CE1-CB 4.21Å; Y271-L301 HydrophobicContact CE1-CD1 4.33Å; Y271-L301 HydrophobicContact CE2-CB 4.49Å; Y271-L301 WeakPolarHBondContact OH-CB 3.33Å; P273-L301 HydrophobicContact CG-CD2 4.37Å; Y294-L301 WeakPolarHBondContact O-CB 3.39Å; Y294-L301 PolarHBondContact O-N 3.29Å; K296-L301 HydrophobicContact CB-CD1 4.17Å; K296-L301 HydrophobicContact CB-CD2 4.31Å; K296-L301 HydrophobicContact CB-CG 4.49Å
302	G	98.4	Very high	98.1	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.1	172.5	-176.1	0	0	0	0	0	113.8	Y271 F293 S300 A304	Y271-G302 WeakPolarHBondContact CE2-O 3.44Å; Y271-G302 PolarHBondContact OH-O 2.99Å; F293-G302 WeakPolarHBondContact CB-O 3.29Å; S300-G302 PolarHBondContact OG-N 3.07Å; G302-A304 PolarHBondContact O-N 2.85Å
303	I	98.6	Very high	98.1	Very high	86 Å²	86	46.6 Å²	46.6	44%	0.441	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	124.2	-174.8	-55.4	-57.5	0	0	0	110.9	T291 F293 F305 T306	T291-I303 HydrophobicContact CG2-CG2 4.48Å; F293-I303 HydrophobicContact CB-CD1 4.28Å; F293-I303 HydrophobicContact CD1-CD1 4.33Å; I303-F305 VanDerWaalsContact CG2-O 3.27Å; I303-F305 WeakPolarHBondContact CG2-O 3.44Å; I303-T306 HydrophobicContact CG2-CG2 4.17Å
304	A	98.7	Very high	98.1	Very high	19 Å²	19	46.4 Å²	46.4	16%	0.157	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-38.5	172.3	0	0	0	0	0	112.1	Y271 C292 Y294 G302	Y271-A304 HydrophobicContact CD1-CB 4.48Å; Y271-A304 HydrophobicContact CD2-CB 4.15Å; Y271-A304 HydrophobicContact CE1-CB 4.04Å; Y271-A304 HydrophobicContact CE2-CB 3.68Å; C292-A304 PolarHBondContact O-N 3.4Å; Y294-A304 HydrophobicContact CD2-CB 3.84Å; Y294-A304 HydrophobicContact CE2-CB 3.81Å; G302-A304 PolarHBondContact O-N 2.85Å
305	F	98.6	Very high	98.1	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.1	-173.5	-46.6	-58.6	0	0	0	112	Y252 C263 T291 C292 Y294 I303 L308	Y252-F305 HydrophobicContact CD1-CB 4.4Å; Y252-F305 HydrophobicContact CD1-CD1 4.19Å; Y252-F305 HydrophobicContact CD1-CD2 4.19Å; Y252-F305 AromaticContact CD1-CG 4Å; Y252-F305 HydrophobicContact CD1-CG 4Å; Y252-F305 HydrophobicContact CG-CD2 4.38Å; C263-F305 HydrophobicContact CB-CD1 3.71Å; C263-F305 HydrophobicContact CB-CE1 3.7Å; T291-F305 CarbonylContact C-O 3.59Å; T291-F305 VanDerWaalsContact CA-O 3.24Å; T291-F305 WeakPolarHBondContact CA-O 3.41Å; T291-F305 WeakPolarHBondContact CB-O 3.44Å; C292-F305 HydrophobicContact CB-CD2 4.11Å; C292-F305 PolarHBondContact N-O 3.47Å; C292-F305 PolarHBondContact O-N 2.88Å; Y294-F305 HydrophobicContact CE2-CD2 4.47Å; Y294-F305 AromaticContact CE2-CE2 3.69Å; Y294-F305 HydrophobicContact CE2-CE2 3.69Å; Y294-F305 HydrophobicContact CE2-CZ 4.29Å; I303-F305 VanDerWaalsContact CG2-O 3.27Å; I303-F305 WeakPolarHBondContact CG2-O 3.44Å; F305-L308 HydrophobicContact CB-CD2 3.88Å; F305-L308 HydrophobicContact CB-CG 4.37Å
306	T	98.2	Very high	98.1	Very high	79 Å²	79	46.5 Å²	46.5	49%	0.485	27%	0.269	S	S	.	.			trans	-117.3	173.8	167.7	60.6	0	0	0	0	109.8	N290 T291 I303 L308	N290-T306 CarbonylContact O-C 3.54Å; T291-T306 HydrophobicContact CG2-CG2 4.04Å; I303-T306 HydrophobicContact CG2-CG2 4.17Å; T306-L308 PolarHBondContact O-N 3.17Å; T306-L308 VanDerWaalsContact O-N 3.14Å
307	D	97.1	Very high	98.1	Very high	121 Å²	121	44.8 Å²	44.8	65%	0.647	26%	0.262	S	S	*	.	S	Bend	trans	57.4	33.3	169.8	-50.4	-78.5	0	0	0	113.9	N290	N290-D307 PolarHBondContact O-N 3.17Å
308	L	97.9	Very high	98.1	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-65.3	137.7	-179.9	-66.9	177.4	0	0	0	111.9	L234 Y252 V285 N290 C292 F305 T306 L312	L234-L308 HydrophobicContact CD1-CD1 4.16Å; Y252-L308 HydrophobicContact CD1-CD2 3.56Å; Y252-L308 HydrophobicContact CD2-CD2 3.95Å; Y252-L308 HydrophobicContact CE1-CD2 3.5Å; Y252-L308 VanDerWaalsContact CE1-CD2 3.5Å; Y252-L308 HydrophobicContact CE2-CD2 3.91Å; Y252-L308 HydrophobicContact CG-CD2 3.79Å; V285-L308 HydrophobicContact CG1-CD1 4.18Å; N290-L308 HydrophobicContact CB-CB 4.4Å; N290-L308 WeakPolarHBondContact O-CB 3.46Å; N290-L308 WeakPolarHBondContact O-CG 3.27Å; N290-L308 PolarHBondContact O-N 2.83Å; C292-L308 HydrophobicContact CB-CD1 3.59Å; F305-L308 HydrophobicContact CB-CD2 3.88Å; F305-L308 HydrophobicContact CB-CG 4.37Å; T306-L308 PolarHBondContact O-N 3.17Å; T306-L308 VanDerWaalsContact O-N 3.14Å; L308-L312 HydrophobicContact CB-CD1 4.12Å; L308-L312 HydrophobicContact CD1-CD1 4.46Å; L308-L312 HydrophobicContact CD2-CD1 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.5Å
309	P	96.2	Very high	98.1	Very high	34 Å²	34	41.3 Å²	41.3	22%	0.221	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.2	154.6	170	30.5	-35.5	0	0	0	111.2	Y252 L312	Y252-P309 HydrophobicContact CE2-CG 4.22Å; Y252-P309 WeakPolarHBondContact OH-CD 3.41Å; P309-L312 HydrophobicContact CG-CD1 4.32Å; P309-L312 HydrophobicContact CG-CD2 4.11Å; P309-L312 HydrophobicContact CG-CG 4.26Å; P309-L312 WeakPolarHBondContact O-CD1 3.41Å; P309-L312 WeakPolarHBondContact O-CG 3.41Å
310	P	94	Very high	98.1	Very high	87 Å²	87	34.8 Å²	34.8	57%	0.565	21%	0.208	S	C	*	.	S	Bend	trans	-69.7	171.7	172.3	31.5	-36.6	0	0	0	111.9	L312	P310-L312 VanDerWaalsContact C-N 3.27Å; P310-L312 PolarHBondContact O-N 3.23Å
311	N	95.8	Very high	98.1	Very high	102 Å²	102	34.4 Å²	34.4	55%	0.545	20%	0.204	S	C	.	.	S	Bend	trans	60.3	30.3	174.8	-53.3	-40.6	0	0	0	114.7	P207	P207-N311 HydrophobicContact CB-CB 4.2Å; P207-N311 WeakPolarHBondContact CB-O 3.49Å
312	L	98.6	Very high	98.1	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-71.7	142.8	170.4	-72	173	0	0	0	111.2	P207 I208 L234 A236 Y252 L308 P309 P310	P207-L312 WeakPolarHBondContact CA-O 3.34Å; I208-L312 WeakPolarHBondContact CG1-O 3.49Å; I208-L312 PolarHBondContact N-O 3.18Å; L234-L312 HydrophobicContact CB-CB 4.22Å; L234-L312 HydrophobicContact CB-CD1 4.12Å; L234-L312 HydrophobicContact CB-CD2 4.48Å; L234-L312 HydrophobicContact CD1-CD1 3.82Å; A236-L312 HydrophobicContact CB-CD2 4.21Å; Y252-L312 HydrophobicContact CD2-CD1 4.11Å; Y252-L312 HydrophobicContact CD2-CD2 4.18Å; Y252-L312 HydrophobicContact CE2-CD1 4.1Å; Y252-L312 HydrophobicContact CE2-CD2 4.03Å; L308-L312 HydrophobicContact CB-CD1 4.12Å; L308-L312 HydrophobicContact CD1-CD1 4.46Å; L308-L312 HydrophobicContact CD2-CD1 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.5Å; P309-L312 HydrophobicContact CG-CD1 4.32Å; P309-L312 HydrophobicContact CG-CD2 4.11Å; P309-L312 HydrophobicContact CG-CG 4.26Å; P309-L312 WeakPolarHBondContact O-CD1 3.41Å; P309-L312 WeakPolarHBondContact O-CG 3.41Å; P310-L312 VanDerWaalsContact C-N 3.27Å; P310-L312 PolarHBondContact O-N 3.23Å
313	Y	98.9	Very high	98.1	Very high	24 Å²	24	32.7 Å²	32.7	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	138.4	174	-69.8	-114.5	0	0	0	109.7	R203 A204 H206 P207 L234 S235 Q237 T315	R203-Y313 HydrophobicContact CB-CD1 4.08Å; R203-Y313 HydrophobicContact CB-CG 4.26Å; R203-Y313 HydrophobicContact CG-CD1 4.46Å; R203-Y313 HydrophobicContact CG-CG 4.16Å; A204-Y313 WeakPolarHBondContact O-CD1 3.37Å; H206-Y313 VanDerWaalsContact O-CD1 3.23Å; H206-Y313 WeakPolarHBondContact O-CD1 3.44Å; P207-Y313 HydrophobicContact CB-CD2 3.94Å; P207-Y313 HydrophobicContact CB-CE2 3.74Å; P207-Y313 HydrophobicContact CB-CG 4.42Å; P207-Y313 HydrophobicContact CG-CE2 4.31Å; L234-Y313 VanDerWaalsContact CA-O 3.32Å; L234-Y313 WeakPolarHBondContact CA-O 3.46Å; S235-Y313 PolarHBondContact N-O 3.1Å; S235-Y313 WeakPolarHBondContact O-CB 3.37Å; S235-Y313 PolarHBondContact O-N 2.97Å; Q237-Y313 HydrophobicContact CB-CE2 3.87Å; Q237-Y313 HydrophobicContact CG-CE2 4.26Å; Y313-T315 PolarHBondContact O-N 2.72Å; Y313-T315 PolarHBondContact O-OG1 3.24Å
314	P	98.9	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	133.5	160.4	-22.6	34	0	0	0	109.3	P166 W169 R203 A204 I208 Y215 F217 F329	P166-P314 HydrophobicContact CB-CG 4.13Å; P166-P314 HydrophobicContact CG-CG 4Å; W169-P314 HydrophobicContact CH2-CB 4.46Å; W169-P314 HydrophobicContact CZ3-CB 4.42Å; W169-P314 WeakPolarHBondContact CZ3-O 3.49Å; R203-P314 CarbonylContact C-O 3.56Å; R203-P314 WeakPolarHBondContact CA-O 3.46Å; A204-P314 HydrophobicContact CB-CB 4.09Å; A204-P314 HydrophobicContact CB-CG 4.1Å; A204-P314 PolarHBondContact N-O 3.39Å; I208-P314 HydrophobicContact CD1-CG 4.44Å; I208-P314 HydrophobicContact CG1-CG 4.2Å; Y215-P314 HydrophobicContact CE1-CG 3.96Å; F217-P314 HydrophobicContact CD1-CB 4.13Å; F217-P314 HydrophobicContact CD1-CG 4.33Å; F217-P314 HydrophobicContact CD2-CB 4.33Å; F217-P314 HydrophobicContact CE1-CB 3.77Å; F217-P314 HydrophobicContact CE1-CG 4.27Å; F217-P314 HydrophobicContact CE2-CB 4.02Å; F217-P314 HydrophobicContact CG-CB 4.38Å; F217-P314 HydrophobicContact CZ-CB 3.73Å; P314-F329 HydrophobicContact CB-CE1 3.85Å; P314-F329 HydrophobicContact CG-CE1 4.19Å
315	T	99	Very high	98.1	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135.2	-174.6	-49.3	0	0	0	0	110	V202 R203 G233 S235 M241 P245 Y313	V202-T315 WeakPolarHBondContact O-CA 3.29Å; V202-T315 WeakPolarHBondContact O-CG2 3.4Å; R203-T315 HydrophobicContact CG-CG2 4.31Å; G233-T315 CarbonylContact C-O 3.56Å; G233-T315 PolarHBondContact N-O 3.39Å; G233-T315 PolarHBondContact O-N 3Å; G233-T315 VanDerWaalsContact O-O 3.1Å; S235-T315 PolarHBondContact N-OG1 2.98Å; S235-T315 VanDerWaalsContact N-OG1 3.09Å; S235-T315 PolarHBondContact OG-OG1 3.12Å; M241-T315 HydrophobicContact CE-CG2 4.1Å; P245-T315 HydrophobicContact CG-CG2 3.92Å; Y313-T315 PolarHBondContact O-N 2.72Å; Y313-T315 PolarHBondContact O-OG1 3.24Å
316	V	98.9	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	164.2	-66.9	0	0	0	0	110.2	W169 V187 S201 V202 V219 G231 I232 V325	W169-V316 HydrophobicContact CD2-CG2 4.41Å; W169-V316 HydrophobicContact CE3-CG2 4.47Å; W169-V316 HydrophobicContact CH2-CB 4.2Å; W169-V316 HydrophobicContact CH2-CG1 3.69Å; W169-V316 HydrophobicContact CH2-CG2 3.78Å; W169-V316 HydrophobicContact CZ2-CB 4.31Å; W169-V316 HydrophobicContact CZ2-CG1 3.74Å; W169-V316 HydrophobicContact CZ2-CG2 3.63Å; W169-V316 HydrophobicContact CZ3-CG2 4.18Å; V187-V316 HydrophobicContact CB-CG2 4.36Å; V187-V316 HydrophobicContact CG1-CG2 4.28Å; V187-V316 HydrophobicContact CG2-CG2 3.83Å; S201-V316 CarbonylContact C-O 3.56Å; S201-V316 VanDerWaalsContact CA-O 3.23Å; S201-V316 WeakPolarHBondContact CA-O 3.36Å; V202-V316 HydrophobicContact CG1-CG2 3.72Å; V202-V316 PolarHBondContact N-O 3.19Å; V202-V316 PolarHBondContact O-N 3.01Å; V219-V316 HydrophobicContact CG1-CG1 4.14Å; V219-V316 HydrophobicContact CG2-CG1 3.87Å; G231-V316 CarbonylContact O-C 3.59Å; G231-V316 WeakPolarHBondContact O-CA 3.39Å; I232-V316 HydrophobicContact CG1-CG1 4.16Å; I232-V316 HydrophobicContact CG2-CG1 4.31Å; V316-V325 HydrophobicContact CG2-CG2 4.27Å
317	G	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.7	171.6	0	0	0	0	0	112.3	A200 S201 M230 G231	A200-G317 CarbonylContact O-C 3.56Å; A200-G317 WeakPolarHBondContact O-CA 3.47Å; S201-G317 WeakPolarHBondContact OG-CA 3.43Å; M230-G317 CarbonylContact C-O 3.55Å; M230-G317 WeakPolarHBondContact CA-O 3.34Å; G231-G317 PolarHBondContact N-O 3.18Å; G231-G317 PolarHBondContact O-N 3.38Å
318	L	98.8	Very high	98.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	155.4	-179.9	-49.7	175.6	0	0	0	108.5	I178 V187 Y189 A200 M230 E323 V325	I178-L318 HydrophobicContact CD1-CB 4.33Å; I178-L318 HydrophobicContact CD1-CD1 4.21Å; I178-L318 HydrophobicContact CD1-CG 4.33Å; V187-L318 HydrophobicContact CB-CD1 4.39Å; V187-L318 HydrophobicContact CG1-CD1 3.8Å; Y189-L318 HydrophobicContact CD2-CB 3.93Å; Y189-L318 WeakPolarHBondContact CD2-O 3.36Å; Y189-L318 WeakPolarHBondContact CE2-O 3.33Å; Y189-L318 HydrophobicContact CG-CB 4.29Å; A200-L318 PolarHBondContact N-O 3.49Å; A200-L318 PolarHBondContact O-N 2.81Å; M230-L318 HydrophobicContact CB-CD2 4.1Å; M230-L318 HydrophobicContact CG-CD2 3.77Å; M230-L318 HydrophobicContact SD-CD2 4.43Å; L318-E323 HydrophobicContact CB-CB 4.22Å; L318-E323 HydrophobicContact CD1-CB 4.34Å; L318-E323 HydrophobicContact CD2-CB 4.27Å; L318-V325 HydrophobicContact CD2-CG1 4.06Å; L318-V325 HydrophobicContact CD2-CG2 4.27Å
319	Q	98.6	Very high	98.3	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.061	14%	0.136	C	C	.	.			trans	-138.6	-17.4	-175.5	176	178.3	-56.6	0	0	114.5	Y189 G193 A199 Y229 L244 E323	Y189-Q319 WeakPolarHBondContact CE1-O 3.49Å; Y189-Q319 PolarHBondContact OH-O 3.11Å; G193-Q319 WeakPolarHBondContact CA-O 3.28Å; A199-Q319 HydrophobicContact CB-CB 4.29Å; A199-Q319 HydrophobicContact CB-CG 4.31Å; Y229-Q319 HydrophobicContact CD2-CG 4.33Å; Y229-Q319 VanDerWaalsContact CD2-NE2 3.27Å; Y229-Q319 PolarHBondContact O-N 3.34Å; L244-Q319 HydrophobicContact CD2-CB 4.36Å; Q319-E323 PolarHBondContact N-OE2 2.93Å
320	T	98.5	Very high	98.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-124.5	150.7	-176.1	86	0	0	0	0	115.7	Y189 R226 D227 Y229 G322 E323	Y189-T320 VanDerWaalsContact CD1-O 3.25Å; Y189-T320 WeakPolarHBondContact CD1-O 3.29Å; R226-T320 PolarHBondContact N-OG1 3.34Å; D227-T320 HydrophobicContact CB-CG2 3.93Å; D227-T320 PolarHBondContact N-OG1 3.49Å; Y229-T320 HydrophobicContact CD2-CG2 3.33Å; Y229-T320 HydrophobicContact CE2-CG2 4.04Å; Y229-T320 HydrophobicContact CG-CG2 4.12Å; T320-G322 PolarHBondContact O-N 3.42Å; T320-E323 VanDerWaalsContact CB-OE1 3.29Å; T320-E323 WeakPolarHBondContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.32Å; T320-E323 VanDerWaalsContact N-CD 3.26Å; T320-E323 PolarHBondContact N-OE1 3.42Å; T320-E323 PolarHBondContact N-OE2 2.96Å; T320-E323 WeakPolarHBondContact O-CB 3.49Å; T320-E323 WeakPolarHBondContact O-CG 3.35Å; T320-E323 PolarHBondContact O-N 2.8Å; T320-E323 VanDerWaalsContact OG1-CD 3.25Å; T320-E323 PolarHBondContact OG1-OE1 3.46Å
321	P	98.4	Very high	98.5	Very high	57 Å²	57	16.8 Å²	16.8	37%	0.37	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	135.3	-177.8	-26.5	36.7	0	0	0	112.9	G225 R226 E323	G225-P321 WeakPolarHBondContact CA-O 3.4Å; R226-P321 PolarHBondContact N-O 3.49Å; R226-P321 VanDerWaalsContact N-O 3.11Å; P321-E323 VanDerWaalsContact C-N 3.34Å
322	G	98.4	Very high	98.6	Very high	41 Å²	41	16.6 Å²	16.6	42%	0.423	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-0	-179.8	0	0	0	0	0	115	S223 G225 T320 V324	S223-G322 VanDerWaalsContact CB-O 3.29Å; S223-G322 WeakPolarHBondContact CB-O 3.27Å; S223-G322 PolarHBondContact OG-O 2.88Å; G225-G322 VanDerWaalsContact CA-O 3.3Å; G225-G322 WeakPolarHBondContact CA-O 3.36Å; G225-G322 PolarHBondContact N-O 2.94Å; T320-G322 PolarHBondContact O-N 3.42Å; G322-V324 PolarHBondContact O-N 3.41Å
323	E	98.9	Very high	98.6	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.6	170	-76	166.3	-168.2	0	0	110.3	Y189 S223 K224 G228 Y229 M230 L318 Q319 T320 P321	Y189-E323 PolarHBondContact N-O 3.28Å; S223-E323 WeakPolarHBondContact O-CA 3.41Å; K224-E323 VanDerWaalsContact O-CG 3.26Å; K224-E323 WeakPolarHBondContact O-CG 3.37Å; G228-E323 PolarHBondContact N-OE1 3.14Å; Y229-E323 PolarHBondContact N-OE1 2.95Å; M230-E323 HydrophobicContact CG-CB 4.37Å; M230-E323 HydrophobicContact CG-CG 3.93Å; M230-E323 HydrophobicContact SD-CB 4.43Å; M230-E323 HydrophobicContact SD-CG 4.11Å; L318-E323 HydrophobicContact CB-CB 4.22Å; L318-E323 HydrophobicContact CD1-CB 4.34Å; L318-E323 HydrophobicContact CD2-CB 4.27Å; Q319-E323 PolarHBondContact N-OE2 2.93Å; T320-E323 VanDerWaalsContact CB-OE1 3.29Å; T320-E323 WeakPolarHBondContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.32Å; T320-E323 VanDerWaalsContact N-CD 3.26Å; T320-E323 PolarHBondContact N-OE1 3.42Å; T320-E323 PolarHBondContact N-OE2 2.96Å; T320-E323 WeakPolarHBondContact O-CB 3.49Å; T320-E323 WeakPolarHBondContact O-CG 3.35Å; T320-E323 PolarHBondContact O-N 2.8Å; T320-E323 VanDerWaalsContact OG1-CD 3.25Å; T320-E323 PolarHBondContact OG1-OE1 3.46Å; P321-E323 VanDerWaalsContact C-N 3.34Å
324	V	98.9	Very high	98.6	Very high	27 Å²	27	21.4 Å²	21.4	16%	0.164	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.4	-178.4	-174	0	0	0	0	109.5	R186 V187 H188 V222 S223 G322	R186-V324 HydrophobicContact CG-CG1 3.79Å; V187-V324 WeakPolarHBondContact O-CA 3.46Å; V187-V324 WeakPolarHBondContact O-CG1 3.46Å; H188-V324 HydrophobicContact CB-CG1 4.43Å; H188-V324 HydrophobicContact CB-CG2 4.01Å; V222-V324 WeakPolarHBondContact CA-O 3.26Å; V222-V324 HydrophobicContact CB-CB 4.07Å; V222-V324 HydrophobicContact CB-CG1 3.87Å; V222-V324 WeakPolarHBondContact CB-O 3.47Å; V222-V324 HydrophobicContact CG1-CB 4.46Å; V222-V324 HydrophobicContact CG1-CG1 4.12Å; V222-V324 HydrophobicContact CG2-CG1 4.29Å; V222-V324 PolarHBondContact N-O 3.12Å; S223-V324 PolarHBondContact N-O 2.97Å; S223-V324 PolarHBondContact O-N 3.32Å; G322-V324 PolarHBondContact O-N 3.41Å
325	V	98.9	Very high	98.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	147.6	176.5	-57	0	0	0	0	111.4	R186 V187 V219 K220 I221 M230 V316 L318	R186-V325 WeakPolarHBondContact CA-O 3.43Å; V187-V325 HydrophobicContact CB-CG2 3.87Å; V187-V325 HydrophobicContact CG2-CG2 4.28Å; V187-V325 PolarHBondContact N-O 3.4Å; V187-V325 PolarHBondContact O-N 3.08Å; V219-V325 HydrophobicContact CG1-CB 3.68Å; V219-V325 HydrophobicContact CG1-CG1 4.22Å; V219-V325 HydrophobicContact CG1-CG2 3.91Å; K220-V325 CarbonylContact O-C 3.59Å; K220-V325 VanDerWaalsContact O-CA 3.26Å; K220-V325 WeakPolarHBondContact O-CA 3.33Å; I221-V325 HydrophobicContact CD1-CG1 3.75Å; M230-V325 HydrophobicContact SD-CG1 4.21Å; V316-V325 HydrophobicContact CG2-CG2 4.27Å; L318-V325 HydrophobicContact CD2-CG1 4.06Å; L318-V325 HydrophobicContact CD2-CG2 4.27Å
326	D	98.9	Very high	98.6	Very high	38 Å²	38	26.6 Å²	26.6	20%	0.203	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.5	174.5	-73.3	-22.1	0	0	0	110.1	R186 V219 K220 V222	R186-D326 WeakPolarHBondContact CA-OD1 3.39Å; R186-D326 WeakPolarHBondContact CB-OD1 3.36Å; R186-D326 VanDerWaalsContact CG-OD1 3.24Å; R186-D326 WeakPolarHBondContact CG-OD1 3.49Å; R186-D326 IonicContact CZ-OD1 3.45Å; R186-D326 IonicContact CZ-OD2 3.83Å; R186-D326 IonicContact NE-OD1 3.5Å; R186-D326 PolarHBondContact NE-OD1 2.9Å; R186-D326 IonicContact NE-OD2 2.75Å; R186-D326 IonicContact NH2-OD1 3.16Å; R186-D326 PolarHBondContact NH2-OD1 3.45Å; R186-D326 IonicContact NH2-OD2 3.77Å; R186-D326 PolarHBondContact NH2-OD2 2.89Å; V219-D326 CarbonylContact C-O 3.55Å; V219-D326 WeakPolarHBondContact CA-O 3.44Å; K220-D326 HydrophobicContact CB-CB 4.49Å; K220-D326 PolarHBondContact N-O 2.83Å; K220-D326 PolarHBondContact O-N 2.94Å; V222-D326 HydrophobicContact CG2-CB 4.02Å; V222-D326 WeakPolarHBondContact CG2-OD2 3.28Å
327	A	98.9	Very high	98.5	Very high	9 Å²	9	31.2 Å²	31.2	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.6	173.6	0	0	0	0	0	112.9	W169 L185 E218 F329	W169-A327 HydrophobicContact CZ2-CB 3.64Å; W169-A327 VanDerWaalsContact NE1-CB 3.26Å; L185-A327 PolarHBondContact O-N 3.22Å; E218-A327 CarbonylContact O-C 3.29Å; E218-A327 WeakPolarHBondContact O-CA 3.27Å; A327-F329 HydrophobicContact CB-CD2 4.01Å; A327-F329 HydrophobicContact CB-CE2 3.5Å; A327-F329 VanDerWaalsContact CB-CE2 3.5Å; A327-F329 HydrophobicContact CB-CZ 3.82Å
328	N	98.8	Very high	98.5	Very high	16 Å²	16	31.4 Å²	31.4	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.6	161	-177.5	18	0	0	0	108.3	E218 G330 Q331 H332 P333 F334	E218-N328 HydrophobicContact CB-CB 4.37Å; E218-N328 PolarHBondContact N-O 2.9Å; E218-N328 PolarHBondContact O-N 3.49Å; N328-G330 WeakPolarHBondContact OD1-CA 3.47Å; N328-G330 PolarHBondContact OD1-N 2.87Å; N328-Q331 PolarHBondContact OD1-N 2.96Å; N328-H332 PolarHBondContact ND2-O 3.27Å; N328-H332 PolarHBondContact OD1-N 3.37Å; N328-H332 PolarHBondContact OD1-O 3.38Å; N328-P333 PolarHBondContact ND2-O 2.9Å; N328-F334 HydrophobicContact CB-CE1 4.33Å; N328-F334 WeakPolarHBondContact ND2-CD1 3.48Å; N328-F334 WeakPolarHBondContact O-CE1 3.36Å
329	F	98.7	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-99.1	14.6	172.2	-62.9	-69.8	0	0	0	111.8	L151 R167 W169 L185 A204 Y215 F217 P314 A327	L151-F329 WeakPolarHBondContact CD2-O 3.4Å; R167-F329 WeakPolarHBondContact O-CD2 3.49Å; W169-F329 HydrophobicContact CD2-CE2 4.3Å; W169-F329 AromaticContact CD2-CZ 3.97Å; W169-F329 HydrophobicContact CD2-CZ 3.97Å; W169-F329 AromaticContact CE2-CZ 3.75Å; W169-F329 HydrophobicContact CE3-CZ 4.09Å; W169-F329 HydrophobicContact CH2-CE1 4.35Å; W169-F329 AromaticContact CH2-CZ 3.77Å; W169-F329 HydrophobicContact CH2-CZ 3.77Å; W169-F329 HydrophobicContact CZ2-CE1 4.5Å; W169-F329 HydrophobicContact CZ2-CE2 4.37Å; W169-F329 AromaticContact CZ2-CZ 3.67Å; W169-F329 HydrophobicContact CZ2-CZ 3.67Å; W169-F329 AromaticContact CZ3-CZ 4Å; W169-F329 HydrophobicContact CZ3-CZ 4Å; L185-F329 HydrophobicContact CD2-CD2 3.87Å; L185-F329 HydrophobicContact CD2-CE2 4.24Å; A204-F329 HydrophobicContact CB-CE1 4.42Å; A204-F329 HydrophobicContact CB-CZ 4.28Å; Y215-F329 WeakPolarHBondContact OH-CD1 3.18Å; F217-F329 HydrophobicContact CB-CD1 3.82Å; F217-F329 HydrophobicContact CB-CE1 4.21Å; F217-F329 HydrophobicContact CD2-CD1 4.45Å; F217-F329 HydrophobicContact CD2-CE1 4.01Å; F217-F329 HydrophobicContact CG-CD1 4.34Å; F217-F329 HydrophobicContact CG-CE1 4.23Å; P314-F329 HydrophobicContact CB-CE1 3.85Å; P314-F329 HydrophobicContact CG-CE1 4.19Å; A327-F329 HydrophobicContact CB-CD2 4.01Å; A327-F329 HydrophobicContact CB-CE2 3.5Å; A327-F329 VanDerWaalsContact CB-CE2 3.5Å; A327-F329 HydrophobicContact CB-CZ 3.82Å
330	G	98.3	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	115.8	2.6	-173.3	0	0	0	0	0	114.4	L147 R150 N328 H332	L147-G330 VanDerWaalsContact CD1-C 3.41Å; R150-G330 WeakPolarHBondContact CD-O 3.36Å; R150-G330 PolarHBondContact NH1-O 3.44Å; N328-G330 WeakPolarHBondContact OD1-CA 3.47Å; N328-G330 PolarHBondContact OD1-N 2.87Å; G330-H332 PolarHBondContact O-N 3.45Å
331	Q	97.5	Very high	98.3	Very high	15 Å²	15	40.1 Å²	40.1	7%	0.07	23%	0.226	C	C	.	.	S	Bend	trans	-62.5	-29.2	173.6	-72	80.2	11.2	0	0	112.4	L147 R167 L185 N328	L147-Q331 HydrophobicContact CD1-CG 4.15Å; L147-Q331 HydrophobicContact CD2-CG 4.36Å; R167-Q331 PolarHBondContact O-NE2 3.01Å; L185-Q331 HydrophobicContact CD1-CG 3.97Å; N328-Q331 PolarHBondContact OD1-N 2.96Å
332	H	97.3	Very high	98.3	Very high	99 Å²	99	37.7 Å²	37.7	46%	0.458	21%	0.21	S	C	.	.	S	Bend	trans	-130.9	161.7	-179	-58.5	-61.7	0	0	0	110	N328 G330	N328-H332 PolarHBondContact ND2-O 3.27Å; N328-H332 PolarHBondContact OD1-N 3.37Å; N328-H332 PolarHBondContact OD1-O 3.38Å; G330-H332 PolarHBondContact O-N 3.45Å
333	P	98.1	Very high	98.1	Very high	98 Å²	98	42.4 Å²	42.4	64%	0.636	22%	0.215	S	C	*	.			trans	-51.7	144.3	164.1	-24.2	34.8	0	0	0	111.2	N328	N328-P333 PolarHBondContact ND2-O 2.9Å
334	F	98.7	Very high	97.9	Very high	33 Å²	33	47.9 Å²	47.9	15%	0.145	24%	0.24	C	C	.	.			trans	-81.9	160.4	174.3	-68.8	-62.6	0	0	0	111.1	L154 Y216 E218 N328 F336 I338	L154-F334 HydrophobicContact CD1-CE2 3.78Å; Y216-F334 HydrophobicContact CD1-CB 4.35Å; Y216-F334 AromaticContact CD1-CD1 3.76Å; Y216-F334 HydrophobicContact CD1-CD1 3.76Å; Y216-F334 AromaticContact CD1-CD2 3.79Å; Y216-F334 HydrophobicContact CD1-CD2 3.79Å; Y216-F334 AromaticContact CD1-CE1 3.88Å; Y216-F334 HydrophobicContact CD1-CE1 3.88Å; Y216-F334 AromaticContact CD1-CE2 3.91Å; Y216-F334 HydrophobicContact CD1-CE2 3.91Å; Y216-F334 AromaticContact CD1-CG 3.7Å; Y216-F334 HydrophobicContact CD1-CG 3.7Å; Y216-F334 AromaticContact CD1-CZ 3.95Å; Y216-F334 HydrophobicContact CD1-CZ 3.95Å; Y216-F334 HydrophobicContact CE1-CB 3.88Å; Y216-F334 AromaticContact CE1-CD1 3.65Å; Y216-F334 HydrophobicContact CE1-CD1 3.65Å; Y216-F334 HydrophobicContact CE1-CD2 4.2Å; Y216-F334 HydrophobicContact CE1-CE1 4.18Å; Y216-F334 AromaticContact CE1-CG 3.66Å; Y216-F334 HydrophobicContact CE1-CG 3.66Å; E218-F334 HydrophobicContact CB-CD1 4.03Å; E218-F334 HydrophobicContact CB-CE1 4.33Å; E218-F334 HydrophobicContact CG-CD1 3.79Å; E218-F334 HydrophobicContact CG-CE1 4.38Å; E218-F334 WeakPolarHBondContact OE2-CA 3.4Å; N328-F334 HydrophobicContact CB-CE1 4.33Å; N328-F334 WeakPolarHBondContact ND2-CD1 3.48Å; N328-F334 WeakPolarHBondContact O-CE1 3.36Å; F334-F336 WeakPolarHBondContact CB-O 3.4Å; F334-I338 HydrophobicContact CD2-CG2 3.67Å; F334-I338 HydrophobicContact CE2-CG2 4.22Å
335	V	98.8	Very high	97.7	Very high	79 Å²	79	47.8 Å²	47.8	48%	0.479	24%	0.237	S	C	.	.	S	Bend	trans	-83.1	-31.4	173.5	-171.8	0	0	0	0	111	E218 V280 G298	E218-V335 VanDerWaalsContact CD-N 3.34Å; E218-V335 PolarHBondContact OE1-N 3.47Å; E218-V335 PolarHBondContact OE2-N 2.87Å; V280-V335 HydrophobicContact CB-CG2 4.22Å; V280-V335 HydrophobicContact CG1-CG2 3.98Å; V280-V335 HydrophobicContact CG2-CG2 4.2Å; G298-V335 WeakPolarHBondContact CA-O 3.23Å
336	F	98.7	Very high	97.4	Very high	29 Å²	29	51.9 Å²	51.9	13%	0.127	25%	0.252	C	S	.	.	S	Bend	trans	-85.6	139.5	168.5	-179.9	-115.2	0	0	0	111.4	Y216 E218 F293 T295 G298 F334 I338 Y341	Y216-F336 HydrophobicContact CE1-CB 4.05Å; Y216-F336 HydrophobicContact CE1-CD1 4.24Å; Y216-F336 HydrophobicContact CE2-CD1 4.13Å; Y216-F336 AromaticContact CZ-CD1 3.88Å; Y216-F336 WeakPolarHBondContact OH-CB 3.3Å; E218-F336 PolarHBondContact OE1-N 3.32Å; F293-F336 HydrophobicContact CE2-CE1 4.12Å; F293-F336 HydrophobicContact CE2-CZ 4.03Å; F293-F336 HydrophobicContact CZ-CE1 4.14Å; F293-F336 HydrophobicContact CZ-CZ 4.19Å; T295-F336 HydrophobicContact CG2-CB 4.14Å; T295-F336 HydrophobicContact CG2-CD1 4.03Å; T295-F336 HydrophobicContact CG2-CD2 3.9Å; T295-F336 HydrophobicContact CG2-CE1 4.41Å; T295-F336 HydrophobicContact CG2-CE2 4.29Å; T295-F336 HydrophobicContact CG2-CG 3.77Å; G298-F336 WeakPolarHBondContact O-CD2 3.38Å; F334-F336 WeakPolarHBondContact CB-O 3.4Å; F336-I338 VanDerWaalsContact C-N 3.29Å; F336-I338 HydrophobicContact CD1-CB 4.14Å; F336-I338 HydrophobicContact CD1-CD1 4.42Å; F336-I338 HydrophobicContact CE1-CB 4.49Å; F336-I338 HydrophobicContact CE1-CD1 4.16Å; F336-I338 PolarHBondContact O-N 2.79Å; F336-Y341 HydrophobicContact CE1-CG 4.34Å; F336-Y341 HydrophobicContact CZ-CG 4.33Å
337	D	98.3	Very high	97.1	Very high	99 Å²	99	54.5 Å²	54.5	53%	0.529	27%	0.27	S	S	.	.			trans	-77.3	82.4	170.6	-161.7	-26.4	0	0	0	110.9	E339 D340 Y341	D337-E339 PolarHBondContact O-N 3.41Å; D337-E339 PolarHBondContact OD1-N 3.34Å; D337-D340 HydrophobicContact CB-CB 4.35Å; D337-D340 PolarHBondContact OD1-N 3.13Å; D337-Y341 PolarHBondContact O-N 2.95Å
338	I	98.5	Very high	96.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-24.2	174.1	-173.5	61.1	0	0	0	112.4	L154 I214 Y216 F334 F336 Y341 M342	L154-I338 HydrophobicContact CD2-CG2 3.87Å; I214-I338 HydrophobicContact CG2-CD1 4.1Å; Y216-I338 HydrophobicContact CD1-CB 3.9Å; Y216-I338 HydrophobicContact CD1-CD1 4.44Å; Y216-I338 HydrophobicContact CD1-CG1 4.09Å; Y216-I338 HydrophobicContact CD1-CG2 4.17Å; Y216-I338 HydrophobicContact CD2-CD1 4.28Å; Y216-I338 HydrophobicContact CE1-CB 4.46Å; Y216-I338 HydrophobicContact CG-CB 4.23Å; Y216-I338 HydrophobicContact CG-CD1 3.91Å; Y216-I338 HydrophobicContact CG-CG1 3.95Å; F334-I338 HydrophobicContact CD2-CG2 3.67Å; F334-I338 HydrophobicContact CE2-CG2 4.22Å; F336-I338 VanDerWaalsContact C-N 3.29Å; F336-I338 HydrophobicContact CD1-CB 4.14Å; F336-I338 HydrophobicContact CD1-CD1 4.42Å; F336-I338 HydrophobicContact CE1-CB 4.49Å; F336-I338 HydrophobicContact CE1-CD1 4.16Å; F336-I338 PolarHBondContact O-N 2.79Å; I338-Y341 HydrophobicContact CD1-CD1 4.08Å; I338-M342 HydrophobicContact CD1-CE 4.36Å; I338-M342 HydrophobicContact CD1-CG 4.49Å; I338-M342 HydrophobicContact CG1-CE 3.86Å; I338-M342 HydrophobicContact CG1-CG 4.35Å; I338-M342 HydrophobicContact CG1-SD 4.1Å; I338-M342 WeakPolarHBondContact O-CB 3.45Å; I338-M342 WeakPolarHBondContact O-CG 3.37Å; I338-M342 PolarHBondContact O-N 3.32Å
339	E	97.4	Very high	96.6	Very high	63 Å²	63	58 Å²	58	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-76.8	-34.8	-176.4	-67.4	-174.5	101.5	0	0	111.5	R153 L154 D337 R343	R153-E339 WeakPolarHBondContact CD-OE1 3.39Å; R153-E339 IonicContact CZ-OE1 3.48Å; R153-E339 IonicContact CZ-OE2 2.7Å; R153-E339 VanDerWaalsContact CZ-OE2 3.27Å; R153-E339 IonicContact NE-OE1 3.92Å; R153-E339 PolarHBondContact NE-OE1 3.06Å; R153-E339 IonicContact NE-OE2 2.7Å; R153-E339 IonicContact NH1-OE1 3.59Å; R153-E339 IonicContact NH1-OE2 3.57Å; R153-E339 IonicContact NH2-OE1 3.41Å; R153-E339 PolarHBondContact NH2-OE1 3.36Å; R153-E339 IonicContact NH2-OE2 3.55Å; R153-E339 PolarHBondContact NH2-OE2 2.98Å; L154-E339 HydrophobicContact CD2-CG 3.6Å; D337-E339 PolarHBondContact O-N 3.41Å; D337-E339 PolarHBondContact OD1-N 3.34Å; E339-R343 WeakPolarHBondContact O-CB 3.47Å; E339-R343 PolarHBondContact O-N 3.3Å
340	D	97.3	Very high	96.3	Very high	92 Å²	92	60.2 Å²	60.2	49%	0.492	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-43.7	169.3	-164	57.2	0	0	0	112.3	D337 M342 R343 E344	D337-D340 HydrophobicContact CB-CB 4.35Å; D337-D340 PolarHBondContact OD1-N 3.13Å; D340-M342 VanDerWaalsContact C-N 3.3Å; D340-M342 PolarHBondContact O-N 3.03Å; D340-R343 WeakPolarHBondContact O-CA 3.33Å; D340-R343 WeakPolarHBondContact O-CB 3.34Å; D340-R343 PolarHBondContact O-N 2.9Å; D340-R343 IonicContact OD1-NE 3.15Å; D340-R343 PolarHBondContact OD1-NE 3.46Å; D340-E344 PolarHBondContact O-N 3.4Å; D340-E344 VanDerWaalsContact O-N 3.09Å
341	Y	97.3	Very high	96.1	Very high	41 Å²	41	61.6 Å²	61.6	16%	0.161	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-39.9	173.9	-176.8	-105.4	0	0	0	112.6	I214 F293 F336 D337 I338 R343 W345	I214-Y341 HydrophobicContact CD1-CD1 4.17Å; I214-Y341 HydrophobicContact CD1-CE1 3.85Å; I214-Y341 HydrophobicContact CG2-CD1 4.3Å; I214-Y341 HydrophobicContact CG2-CE1 4.2Å; F293-Y341 HydrophobicContact CE1-CD1 4.26Å; F293-Y341 AromaticContact CE1-CE1 3.51Å; F293-Y341 HydrophobicContact CE1-CE1 3.51Å; F293-Y341 HydrophobicContact CE1-CE2 4.09Å; F293-Y341 AromaticContact CE1-CZ 3.41Å; F293-Y341 VanDerWaalsContact CE1-CZ 3.41Å; F293-Y341 WeakPolarHBondContact CE1-OH 3.44Å; F293-Y341 HydrophobicContact CZ-CD1 4Å; F293-Y341 HydrophobicContact CZ-CD2 4.35Å; F293-Y341 AromaticContact CZ-CE1 3.72Å; F293-Y341 HydrophobicContact CZ-CE1 3.72Å; F293-Y341 HydrophobicContact CZ-CE2 4.09Å; F293-Y341 HydrophobicContact CZ-CG 4.3Å; F293-Y341 AromaticContact CZ-CZ 3.77Å; F336-Y341 HydrophobicContact CE1-CG 4.34Å; F336-Y341 HydrophobicContact CZ-CG 4.33Å; D337-Y341 PolarHBondContact O-N 2.95Å; I338-Y341 HydrophobicContact CD1-CD1 4.08Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.9Å; Y341-W345 AromaticContact CE1-CD1 3.91Å; Y341-W345 AromaticContact CE1-NE1 3.84Å; Y341-W345 AromaticContact CE2-NE1 3.75Å; Y341-W345 AromaticContact CZ-CD1 3.75Å; Y341-W345 AromaticContact CZ-NE1 3.29Å; Y341-W345 VanDerWaalsContact CZ-NE1 3.29Å; Y341-W345 PolarHBondContact O-N 3.03Å; Y341-W345 PolarHBondContact OH-NE1 2.66Å; Y341-W345 VanDerWaalsContact OH-NE1 3.08Å
342	M	97.3	Very high	95.8	Very high	7 Å²	7	66.5 Å²	66.5	3%	0.034	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-27.4	172.1	-76.7	171.7	169	0	0	113.1	L154 Y155 I214 I338 D340 R346 F721	L154-M342 HydrophobicContact CB-CE 4.4Å; L154-M342 HydrophobicContact CD2-CE 4.35Å; L154-M342 HydrophobicContact CD2-SD 3.86Å; Y155-M342 HydrophobicContact CD1-CE 4.13Å; Y155-M342 HydrophobicContact CE1-CE 3.62Å; I214-M342 HydrophobicContact CB-CE 4.16Å; I214-M342 HydrophobicContact CB-CG 4.36Å; I214-M342 HydrophobicContact CD1-CG 4.45Å; I214-M342 HydrophobicContact CG2-CE 4.16Å; I214-M342 HydrophobicContact CG2-CG 4.44Å; I214-M342 VanDerWaalsContact O-CE 3.31Å; I214-M342 WeakPolarHBondContact O-CE 3.34Å; I338-M342 HydrophobicContact CD1-CE 4.36Å; I338-M342 HydrophobicContact CD1-CG 4.49Å; I338-M342 HydrophobicContact CG1-CE 3.86Å; I338-M342 HydrophobicContact CG1-CG 4.35Å; I338-M342 HydrophobicContact CG1-SD 4.1Å; I338-M342 WeakPolarHBondContact O-CB 3.45Å; I338-M342 WeakPolarHBondContact O-CG 3.37Å; I338-M342 PolarHBondContact O-N 3.32Å; D340-M342 VanDerWaalsContact C-N 3.3Å; D340-M342 PolarHBondContact O-N 3.03Å; M342-R346 PolarHBondContact O-N 2.71Å; M342-F721 HydrophobicContact CB-CE1 4.19Å; M342-F721 HydrophobicContact CG-CE1 4.44Å; M342-F721 HydrophobicContact CG-CZ 4.42Å; M342-F721 WeakPolarHBondContact O-CE1 3Å
343	R	95.2	Very high	95.5	Very high	140 Å²	140	65.3 Å²	65.3	53%	0.528	32%	0.324	S	S	.	.	H	α-helix	trans	-69.2	-44.1	176.3	-164.6	-169.2	-49.4	-74.1	-9	111.3	E339 D340 Y341 W345 R346 T347	E339-R343 WeakPolarHBondContact O-CB 3.47Å; E339-R343 PolarHBondContact O-N 3.3Å; D340-R343 WeakPolarHBondContact O-CA 3.33Å; D340-R343 WeakPolarHBondContact O-CB 3.34Å; D340-R343 PolarHBondContact O-N 2.9Å; D340-R343 IonicContact OD1-NE 3.15Å; D340-R343 PolarHBondContact OD1-NE 3.46Å; Y341-R343 VanDerWaalsContact C-N 3.29Å; Y341-R343 PolarHBondContact O-N 2.9Å; R343-W345 VanDerWaalsContact C-N 3.3Å; R343-W345 PolarHBondContact O-N 2.88Å; R343-R346 PolarHBondContact O-N 3.35Å; R343-T347 PolarHBondContact O-N 2.91Å; R343-T347 PolarHBondContact O-OG1 3.48Å; R343-T347 VanDerWaalsContact O-OG1 3.14Å
344	E	94.8	Very high	95.1	Very high	114 Å²	114	65.6 Å²	65.6	53%	0.533	32%	0.32	S	S	.	.	H	α-helix	trans	-54.2	-48.5	174.3	-167.4	-154.1	142.8	0	0	110.7	D340 T347 K348	D340-E344 PolarHBondContact O-N 3.4Å; D340-E344 VanDerWaalsContact O-N 3.09Å; E344-T347 PolarHBondContact O-N 2.92Å; E344-K348 VanDerWaalsContact O-CB 3.32Å; E344-K348 WeakPolarHBondContact O-CB 3.34Å; E344-K348 PolarHBondContact O-N 2.98Å
345	W	94	Very high	94.7	Very high	25 Å²	25	73.8 Å²	73.8	10%	0.095	35%	0.35	C	S	.	.	H	α-helix	trans	-68.2	-35.8	178.8	-79.4	90.5	0	0	0	113.5	I214 N286 I288 Y341 R343 K348 I349	I214-W345 HydrophobicContact CD1-CB 3.72Å; I214-W345 HydrophobicContact CD1-CD2 4.3Å; I214-W345 HydrophobicContact CD1-CG 3.56Å; N286-W345 WeakPolarHBondContact ND2-CZ2 3.5Å; I288-W345 HydrophobicContact CD1-CD2 4.2Å; I288-W345 HydrophobicContact CD1-CE3 3.51Å; I288-W345 HydrophobicContact CD1-CZ3 4.01Å; I288-W345 HydrophobicContact CG2-CZ3 4.49Å; Y341-W345 AromaticContact CE1-CD1 3.91Å; Y341-W345 AromaticContact CE1-NE1 3.84Å; Y341-W345 AromaticContact CE2-NE1 3.75Å; Y341-W345 AromaticContact CZ-CD1 3.75Å; Y341-W345 AromaticContact CZ-NE1 3.29Å; Y341-W345 VanDerWaalsContact CZ-NE1 3.29Å; Y341-W345 PolarHBondContact O-N 3.03Å; Y341-W345 PolarHBondContact OH-NE1 2.66Å; Y341-W345 VanDerWaalsContact OH-NE1 3.08Å; R343-W345 VanDerWaalsContact C-N 3.3Å; R343-W345 PolarHBondContact O-N 2.88Å; W345-K348 HydrophobicContact CE3-CD 4.13Å; W345-K348 HydrophobicContact CZ3-CD 4.26Å; W345-K348 PolarHBondContact O-N 3Å; W345-I349 WeakPolarHBondContact O-CG1 3.48Å; W345-I349 PolarHBondContact O-N 3.13Å
346	R	92.9	Very high	94.3	Very high	89 Å²	89	77.2 Å²	77.2	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-59.5	-52.7	171.8	-171.9	173.9	-76.5	98.1	0.1	111.1	M342 R343 K348 I349 Q350 F721	M342-R346 PolarHBondContact O-N 2.71Å; R343-R346 PolarHBondContact O-N 3.35Å; R346-K348 PolarHBondContact O-N 2.77Å; R346-I349 PolarHBondContact O-N 3.41Å; R346-Q350 VanDerWaalsContact O-CB 3.29Å; R346-Q350 WeakPolarHBondContact O-CB 3.49Å; R346-Q350 PolarHBondContact O-N 3.17Å; R346-F721 HydrophobicContact CB-CD1 3.89Å; R346-F721 HydrophobicContact CG-CD1 4.49Å
347	T	93.4	Very high	93.7	Very high	92 Å²	92	80.7 Å²	80.7	56%	0.564	38%	0.384	S	S	*	.	H	α-helix	trans	-57.6	-38.4	178	-56.4	0	0	0	0	111.9	R343 E344 A351	R343-T347 PolarHBondContact O-N 2.91Å; R343-T347 PolarHBondContact O-OG1 3.48Å; R343-T347 VanDerWaalsContact O-OG1 3.14Å; E344-T347 PolarHBondContact O-N 2.92Å; T347-A351 VanDerWaalsContact O-CB 3.31Å; T347-A351 WeakPolarHBondContact O-CB 3.39Å; T347-A351 PolarHBondContact O-N 2.92Å
348	K	94	Very high	92.9	Very high	90 Å²	90	81.2 Å²	81.2	39%	0.391	39%	0.386	S	S	.	.	H	α-helix	trans	-69.3	-41.7	178.3	-175.8	178.7	-178.5	177.8	0	113.6	E344 W345 R346 Q352	E344-K348 VanDerWaalsContact O-CB 3.32Å; E344-K348 WeakPolarHBondContact O-CB 3.34Å; E344-K348 PolarHBondContact O-N 2.98Å; W345-K348 HydrophobicContact CE3-CD 4.13Å; W345-K348 HydrophobicContact CZ3-CD 4.26Å; W345-K348 PolarHBondContact O-N 3Å; R346-K348 PolarHBondContact O-N 2.77Å; K348-Q352 WeakPolarHBondContact O-CG 3.39Å; K348-Q352 PolarHBondContact O-N 3.44Å
349	I	92.8	Very high	92	Very high	9 Å²	9	83.3 Å²	83.3	5%	0.046	41%	0.408	C	S	.	.	H	α-helix	trans	-69.7	-43.2	175.8	-67.1	-61.8	0	0	0	110.3	I288 W345 R346 A351 Q352 I353 F721	I288-I349 HydrophobicContact CG2-CD1 4.36Å; W345-I349 WeakPolarHBondContact O-CG1 3.48Å; W345-I349 PolarHBondContact O-N 3.13Å; R346-I349 PolarHBondContact O-N 3.41Å; I349-A351 PolarHBondContact O-N 3.41Å; I349-Q352 WeakPolarHBondContact O-CB 3.43Å; I349-Q352 PolarHBondContact O-N 3.14Å; I349-I353 HydrophobicContact CG2-CD1 4.05Å; I349-I353 WeakPolarHBondContact O-CG1 3.46Å; I349-I353 PolarHBondContact O-N 3.12Å; I349-I353 VanDerWaalsContact O-N 3.08Å; I349-F721 HydrophobicContact CB-CB 4.03Å; I349-F721 HydrophobicContact CG1-CB 4.07Å; I349-F721 HydrophobicContact CG2-CB 4.1Å
350	Q	91.8	Very high	91	Very high	47 Å²	47	88.7 Å²	88.7	22%	0.22	44%	0.439	C	S	.	.	H	α-helix	trans	-54.1	-54.6	174.3	-175.8	56.4	39.7	0	0	111.2	R346 Q352 I353 D354 Y727	R346-Q350 VanDerWaalsContact O-CB 3.29Å; R346-Q350 WeakPolarHBondContact O-CB 3.49Å; R346-Q350 PolarHBondContact O-N 3.17Å; Q350-Q352 PolarHBondContact O-N 3.04Å; Q350-Q352 VanDerWaalsContact O-N 3.09Å; Q350-I353 PolarHBondContact O-N 3.25Å; Q350-D354 WeakPolarHBondContact CG-OD2 3.34Å; Q350-D354 PolarHBondContact NE2-OD1 3.21Å; Q350-D354 PolarHBondContact NE2-OD2 3.37Å; Q350-D354 PolarHBondContact O-N 2.89Å; Q350-Y727 PolarHBondContact NE2-OH 3.04Å; Q350-Y727 PolarHBondContact OE1-OH 3.38Å
351	A	93	Very high	90.3	Very high	29 Å²	29	89.6 Å²	89.6	24%	0.24	44%	0.436	C	S	.	.	H	α-helix	trans	-65.5	-12.9	177.6	0	0	0	0	0	114.7	T347 I349 R355	T347-A351 VanDerWaalsContact O-CB 3.31Å; T347-A351 WeakPolarHBondContact O-CB 3.39Å; T347-A351 PolarHBondContact O-N 2.92Å; I349-A351 PolarHBondContact O-N 3.41Å; A351-R355 WeakPolarHBondContact O-CB 3.4Å; A351-R355 VanDerWaalsContact O-CD 3.26Å; A351-R355 WeakPolarHBondContact O-CD 3.31Å; A351-R355 WeakPolarHBondContact O-CG 3.35Å
352	Q	92.7	Very high	89.5	Confident	118 Å²	118	93.5 Å²	93.5	55%	0.551	46%	0.455	S	S	*	.	H	α-helix	trans	-84.7	-30.9	169.2	-78.5	-178.9	-24.7	0	0	112.6	K348 I349 Q350 F356	K348-Q352 WeakPolarHBondContact O-CG 3.39Å; K348-Q352 PolarHBondContact O-N 3.44Å; I349-Q352 WeakPolarHBondContact O-CB 3.43Å; I349-Q352 PolarHBondContact O-N 3.14Å; Q350-Q352 PolarHBondContact O-N 3.04Å; Q350-Q352 VanDerWaalsContact O-N 3.09Å; Q352-F356 PolarHBondContact O-N 2.98Å
353	I	90.9	Very high	88.9	Confident	73 Å²	73	95.5 Å²	95.5	37%	0.374	48%	0.477	S	S	.	.	H	α-helix	trans	-74.3	-50.1	175	-63.4	164.1	0	0	0	109.7	I349 Q350 R355 F356 A722 Y727	I349-I353 HydrophobicContact CG2-CD1 4.05Å; I349-I353 WeakPolarHBondContact O-CG1 3.46Å; I349-I353 PolarHBondContact O-N 3.12Å; I349-I353 VanDerWaalsContact O-N 3.08Å; Q350-I353 PolarHBondContact O-N 3.25Å; I353-R355 PolarHBondContact O-N 3.12Å; I353-R355 VanDerWaalsContact O-N 3.13Å; I353-F356 VanDerWaalsContact O-CB 3.24Å; I353-F356 WeakPolarHBondContact O-CB 3.46Å; I353-F356 PolarHBondContact O-N 3.37Å; I353-A722 HydrophobicContact CD1-CB 3.67Å; I353-Y727 WeakPolarHBondContact CD1-OH 3.39Å; I353-Y727 HydrophobicContact CG2-CE1 4.29Å; I353-Y727 WeakPolarHBondContact CG2-OH 3.21Å
354	D	89.4	Confident	88.6	Confident	104 Å²	104	93.9 Å²	93.9	56%	0.556	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.1	-179.3	-61.4	-35.7	0	0	0	113.4	Q350	Q350-D354 WeakPolarHBondContact CG-OD2 3.34Å; Q350-D354 PolarHBondContact NE2-OD1 3.21Å; Q350-D354 PolarHBondContact NE2-OD2 3.37Å; Q350-D354 PolarHBondContact O-N 2.89Å
355	R	91.2	Very high	88.3	Confident	206 Å²	206	93.2 Å²	93.2	78%	0.777	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	9.7	178.6	-59.6	178.1	-176.4	170.7	0.6	113	A351 I353	A351-R355 WeakPolarHBondContact O-CB 3.4Å; A351-R355 VanDerWaalsContact O-CD 3.26Å; A351-R355 WeakPolarHBondContact O-CD 3.31Å; A351-R355 WeakPolarHBondContact O-CG 3.35Å; I353-R355 PolarHBondContact O-N 3.12Å; I353-R355 VanDerWaalsContact O-N 3.13Å
356	F	89.5	Confident	88.2	Confident	151 Å²	151	96.4 Å²	96.4	66%	0.662	48%	0.484	S	S	*	.			trans	-68.9	127.8	-179.5	-167.7	-87.9	0	0	0	110.4	Q352 I353 I358	Q352-F356 PolarHBondContact O-N 2.98Å; I353-F356 VanDerWaalsContact O-CB 3.24Å; I353-F356 WeakPolarHBondContact O-CB 3.46Å; I353-F356 PolarHBondContact O-N 3.37Å; F356-I358 PolarHBondContact O-N 2.96Å
357	P	86.8	Confident	88.1	Confident	101 Å²	101	94.8 Å²	94.8	66%	0.656	49%	0.485	S	S	*	.			trans	-71.8	108	-173.1	27.6	-34.5	0	0	0	111.8	G359	P357-G359 PolarHBondContact O-N 3.42Å
358	I	81.1	Confident	88.1	Confident	111 Å²	111	94.2 Å²	94.2	57%	0.569	48%	0.476	S	S	*	.			trans	-65.8	-22.9	173.5	-62.7	176.8	0	0	0	111.7	F356 W365	F356-I358 PolarHBondContact O-N 2.96Å; I358-W365 HydrophobicContact CG2-CG 4.12Å
359	G	78.3	Confident	88	Confident	48 Å²	48	94.2 Å²	94.2	50%	0.495	48%	0.48	S	S	.	.			trans	74.9	-173	179.7	0	0	0	0	0	113.3	P357 R361	P357-G359 PolarHBondContact O-N 3.42Å; G359-R361 PolarHBondContact O-N 3.42Å
360	D	78	Confident	88.1	Confident	176 Å²	176	96.2 Å²	96.2	94%	0.941	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	0.5	-174.1	-45.7	-57.5	0	0	0	114.6	E362	D360-E362 VanDerWaalsContact C-N 3.33Å
361	R	81	Confident	88.2	Confident	110 Å²	110	99.6 Å²	99.6	42%	0.415	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.8	-177.1	-61.9	-175.4	67.1	-140	-6.3	113.7	G359 G363 E364 W365	G359-R361 PolarHBondContact O-N 3.42Å; R361-G363 VanDerWaalsContact C-N 3.29Å; R361-G363 PolarHBondContact O-N 2.96Å; R361-E364 HydrophobicContact CB-CB 4.48Å; R361-E364 IonicContact CZ-OE2 3.06Å; R361-E364 IonicContact NE-OE2 2.94Å; R361-E364 PolarHBondContact NE-OE2 3.2Å; R361-E364 IonicContact NH2-OE2 2.68Å; R361-E364 PolarHBondContact NH2-OE2 3.17Å; R361-E364 WeakPolarHBondContact O-CA 3.43Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.85Å; R361-W365 PolarHBondContact O-N 2.96Å
362	E	80.9	Confident	88.2	Confident	124 Å²	124	100 Å²	100	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-48.4	-47.6	-176.9	-169.9	-174.9	169.8	0	0	112.9	D360 E364 W365 Q366	D360-E362 VanDerWaalsContact C-N 3.33Å; E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 3.29Å; E362-W365 PolarHBondContact O-N 3.4Å; E362-W365 VanDerWaalsContact O-N 3.14Å; E362-Q366 HydrophobicContact CG-CG 4.44Å; E362-Q366 WeakPolarHBondContact O-CG 3.22Å; E362-Q366 PolarHBondContact O-N 3.35Å
363	G	85.9	Confident	88.4	Confident	48 Å²	48	96.4 Å²	96.4	50%	0.495	49%	0.486	S	S	.	.	H	α-helix	trans	-63.4	-31	177.2	0	0	0	0	0	114.3	R361 T367	R361-G363 VanDerWaalsContact C-N 3.29Å; R361-G363 PolarHBondContact O-N 2.96Å; G363-T367 WeakPolarHBondContact O-CB 3.39Å; G363-T367 PolarHBondContact O-N 2.81Å; G363-T367 VanDerWaalsContact O-N 3.09Å; G363-T367 PolarHBondContact O-OG1 3.08Å
364	E	88.5	Confident	88.5	Confident	107 Å²	107	93.3 Å²	93.3	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-70	-42.3	172.9	-60	-177.9	-170.1	0	0	110.9	R361 E362 T367 M368	R361-E364 HydrophobicContact CB-CB 4.48Å; R361-E364 IonicContact CZ-OE2 3.06Å; R361-E364 IonicContact NE-OE2 2.94Å; R361-E364 PolarHBondContact NE-OE2 3.2Å; R361-E364 IonicContact NH2-OE2 2.68Å; R361-E364 PolarHBondContact NH2-OE2 3.17Å; R361-E364 WeakPolarHBondContact O-CA 3.43Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.85Å; E362-E364 VanDerWaalsContact C-N 3.31Å; E362-E364 PolarHBondContact O-N 3.29Å; E364-T367 PolarHBondContact O-N 3.27Å; E364-M368 WeakPolarHBondContact O-CB 3.47Å; E364-M368 PolarHBondContact O-N 2.9Å
365	W	89.2	Confident	88.7	Confident	99 Å²	99	90.2 Å²	90.2	38%	0.375	46%	0.458	S	S	.	.	H	α-helix	trans	-66.1	-44.1	177.4	-67.8	116.7	0	0	0	112	I358 R361 E362 T367 M368 I369	I358-W365 HydrophobicContact CG2-CG 4.12Å; R361-W365 PolarHBondContact O-N 2.96Å; E362-W365 PolarHBondContact O-N 3.4Å; E362-W365 VanDerWaalsContact O-N 3.14Å; W365-T367 VanDerWaalsContact C-N 3.33Å; W365-T367 PolarHBondContact O-N 3.4Å; W365-M368 HydrophobicContact CE3-CE 4.32Å; W365-M368 HydrophobicContact CE3-SD 3.95Å; W365-M368 HydrophobicContact CZ3-CE 4.19Å; W365-M368 HydrophobicContact CZ3-SD 3.79Å; W365-M368 WeakPolarHBondContact O-CB 3.42Å; W365-M368 PolarHBondContact O-N 3.31Å; W365-M368 VanDerWaalsContact O-N 3.11Å; W365-I369 WeakPolarHBondContact O-CB 3.37Å; W365-I369 VanDerWaalsContact O-CG1 3.29Å; W365-I369 WeakPolarHBondContact O-CG1 3.47Å; W365-I369 PolarHBondContact O-N 3.12Å
366	Q	90.6	Very high	88.9	Confident	92 Å²	92	84 Å²	84	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-57.5	-46.3	172.8	-67.5	-69	0.1	0	0	111	E362 M368 I369 Q370	E362-Q366 HydrophobicContact CG-CG 4.44Å; E362-Q366 WeakPolarHBondContact O-CG 3.22Å; E362-Q366 PolarHBondContact O-N 3.35Å; Q366-M368 VanDerWaalsContact C-N 3.3Å; Q366-M368 PolarHBondContact O-N 3.33Å; Q366-I369 PolarHBondContact O-N 3.34Å; Q366-Q370 WeakPolarHBondContact O-CB 3.46Å; Q366-Q370 VanDerWaalsContact O-CG 3.22Å; Q366-Q370 WeakPolarHBondContact O-CG 3.46Å; Q366-Q370 PolarHBondContact O-N 2.92Å
367	T	91.5	Very high	89.1	Confident	55 Å²	55	77.8 Å²	77.8	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-36.7	175.5	-57.6	0	0	0	0	112.2	G363 E364 W365 K371	G363-T367 WeakPolarHBondContact O-CB 3.39Å; G363-T367 PolarHBondContact O-N 2.81Å; G363-T367 VanDerWaalsContact O-N 3.09Å; G363-T367 PolarHBondContact O-OG1 3.08Å; E364-T367 PolarHBondContact O-N 3.27Å; W365-T367 VanDerWaalsContact C-N 3.33Å; W365-T367 PolarHBondContact O-N 3.4Å; T367-K371 HydrophobicContact CG2-CD 4.34Å; T367-K371 WeakPolarHBondContact O-CG 3.36Å; T367-K371 PolarHBondContact O-N 3.15Å; T367-K371 VanDerWaalsContact O-N 3.17Å
368	M	92.2	Very high	89.4	Confident	80 Å²	80	73.8 Å²	73.8	39%	0.394	38%	0.382	S	S	.	.	H	α-helix	trans	-69.7	-46.6	177.9	-170.9	179.6	-62.7	0	0	111.6	E364 W365 Q366 Q370 K371 M372	E364-M368 WeakPolarHBondContact O-CB 3.47Å; E364-M368 PolarHBondContact O-N 2.9Å; W365-M368 HydrophobicContact CE3-CE 4.32Å; W365-M368 HydrophobicContact CE3-SD 3.95Å; W365-M368 HydrophobicContact CZ3-CE 4.19Å; W365-M368 HydrophobicContact CZ3-SD 3.79Å; W365-M368 WeakPolarHBondContact O-CB 3.42Å; W365-M368 PolarHBondContact O-N 3.31Å; W365-M368 VanDerWaalsContact O-N 3.11Å; Q366-M368 VanDerWaalsContact C-N 3.3Å; Q366-M368 PolarHBondContact O-N 3.33Å; M368-Q370 VanDerWaalsContact C-N 3.34Å; M368-Q370 PolarHBondContact O-N 3.41Å; M368-K371 WeakPolarHBondContact O-CB 3.29Å; M368-K371 PolarHBondContact O-N 3.28Å; M368-M372 HydrophobicContact CG-SD 4Å; M368-M372 VanDerWaalsContact O-CG 3.28Å; M368-M372 WeakPolarHBondContact O-CG 3.3Å; M368-M372 PolarHBondContact O-N 2.96Å
369	I	92.9	Very high	90	Very high	90 Å²	90	69 Å²	69	46%	0.462	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-44.7	176.7	-68.2	163.6	0	0	0	110.1	W365 Q366 K371 M372 V373	W365-I369 WeakPolarHBondContact O-CB 3.37Å; W365-I369 VanDerWaalsContact O-CG1 3.29Å; W365-I369 WeakPolarHBondContact O-CG1 3.47Å; W365-I369 PolarHBondContact O-N 3.12Å; Q366-I369 PolarHBondContact O-N 3.34Å; I369-K371 VanDerWaalsContact C-N 3.33Å; I369-K371 PolarHBondContact O-N 3.3Å; I369-M372 PolarHBondContact O-N 3Å; I369-M372 VanDerWaalsContact O-N 3.13Å; I369-V373 HydrophobicContact CG2-CG2 4.37Å; I369-V373 WeakPolarHBondContact O-CG2 3.5Å; I369-V373 PolarHBondContact O-N 3.03Å
370	Q	94.7	Very high	90.7	Very high	52 Å²	52	68.8 Å²	68.8	24%	0.243	34%	0.343	C	S	.	.	H	α-helix	trans	-58.1	-42.8	175.1	-71.5	168.5	10.5	0	0	112.3	Q366 M368 V373 S374 F389 T393 Q395	Q366-Q370 WeakPolarHBondContact O-CB 3.46Å; Q366-Q370 VanDerWaalsContact O-CG 3.22Å; Q366-Q370 WeakPolarHBondContact O-CG 3.46Å; Q366-Q370 PolarHBondContact O-N 2.92Å; M368-Q370 VanDerWaalsContact C-N 3.34Å; M368-Q370 PolarHBondContact O-N 3.41Å; Q370-V373 PolarHBondContact O-N 2.71Å; Q370-S374 VanDerWaalsContact O-CB 3.3Å; Q370-S374 WeakPolarHBondContact O-CB 3.22Å; Q370-S374 PolarHBondContact O-N 3.28Å; Q370-F389 HydrophobicContact CB-CE1 4.23Å; Q370-F389 HydrophobicContact CB-CZ 4.22Å; Q370-F389 HydrophobicContact CG-CZ 4.17Å; Q370-F389 WeakPolarHBondContact O-CE1 3.24Å; Q370-T393 HydrophobicContact CG-CG2 4.07Å; Q370-Q395 HydrophobicContact CB-CG 4.18Å
371	K	93.6	Very high	91.4	Very high	118 Å²	118	60.6 Å²	60.6	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-40	174.6	-73.3	168.9	-177.9	173.5	0	112.5	T367 M368 I369 S375	T367-K371 HydrophobicContact CG2-CD 4.34Å; T367-K371 WeakPolarHBondContact O-CG 3.36Å; T367-K371 PolarHBondContact O-N 3.15Å; T367-K371 VanDerWaalsContact O-N 3.17Å; M368-K371 WeakPolarHBondContact O-CB 3.29Å; M368-K371 PolarHBondContact O-N 3.28Å; I369-K371 VanDerWaalsContact C-N 3.33Å; I369-K371 PolarHBondContact O-N 3.3Å; K371-S375 VanDerWaalsContact O-CB 3.24Å; K371-S375 WeakPolarHBondContact O-CB 3.2Å; K371-S375 PolarHBondContact O-N 3.43Å
372	M	94.5	Very high	91.9	Very high	36 Å²	36	57.7 Å²	57.7	18%	0.177	29%	0.29	C	S	.	.	H	α-helix	trans	-66.1	-43.7	177.8	-68.9	169.1	65.9	0	0	111.7	M368 I369 S375 Y376 P696 L697 A700	M368-M372 HydrophobicContact CG-SD 4Å; M368-M372 VanDerWaalsContact O-CG 3.28Å; M368-M372 WeakPolarHBondContact O-CG 3.3Å; M368-M372 PolarHBondContact O-N 2.96Å; I369-M372 PolarHBondContact O-N 3Å; I369-M372 VanDerWaalsContact O-N 3.13Å; M372-S375 PolarHBondContact O-N 3.19Å; M372-Y376 WeakPolarHBondContact O-CB 3.16Å; M372-Y376 PolarHBondContact O-N 3.23Å; M372-P696 HydrophobicContact CG-CB 4.24Å; M372-L697 HydrophobicContact CB-CB 4.35Å; M372-L697 HydrophobicContact CE-CB 4.43Å; M372-L697 HydrophobicContact CE-CD1 4.1Å; M372-A700 HydrophobicContact CE-CB 3.68Å
373	V	95.1	Very high	92.3	Very high	43 Å²	43	52.2 Å²	52.2	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-48.5	174.3	172.8	0	0	0	0	110.9	I369 Q370 S375 Y376 L377 F389	I369-V373 HydrophobicContact CG2-CG2 4.37Å; I369-V373 WeakPolarHBondContact O-CG2 3.5Å; I369-V373 PolarHBondContact O-N 3.03Å; Q370-V373 PolarHBondContact O-N 2.71Å; V373-S375 VanDerWaalsContact C-N 3.28Å; V373-S375 PolarHBondContact O-N 3.44Å; V373-Y376 WeakPolarHBondContact O-CB 3.47Å; V373-Y376 PolarHBondContact O-N 3.31Å; V373-Y376 VanDerWaalsContact O-N 3.12Å; V373-L377 HydrophobicContact CG1-CD1 4.03Å; V373-L377 HydrophobicContact CG1-CG 4.28Å; V373-L377 WeakPolarHBondContact O-CG 3.5Å; V373-L377 PolarHBondContact O-N 3.14Å; V373-F389 HydrophobicContact CB-CE1 4.27Å; V373-F389 HydrophobicContact CB-CE2 4.44Å; V373-F389 HydrophobicContact CB-CZ 3.91Å; V373-F389 HydrophobicContact CG1-CD2 4.25Å; V373-F389 HydrophobicContact CG1-CE1 4.12Å; V373-F389 HydrophobicContact CG1-CE2 3.77Å; V373-F389 HydrophobicContact CG1-CZ 3.7Å
374	S	94.3	Very high	92.5	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-39.3	177.3	-170.8	0	0	0	0	112	Q370 V378	Q370-S374 VanDerWaalsContact O-CB 3.3Å; Q370-S374 WeakPolarHBondContact O-CB 3.22Å; Q370-S374 PolarHBondContact O-N 3.28Å; S374-V378 VanDerWaalsContact O-CG2 3.29Å; S374-V378 WeakPolarHBondContact O-CG2 3.33Å; S374-V378 PolarHBondContact O-N 3.28Å; S374-V378 VanDerWaalsContact O-N 3.11Å
375	S	93.3	Very high	92.8	Very high	39 Å²	39	50.1 Å²	50.1	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-41.1	174.9	-180	0	0	0	0	112.2	K371 M372 V373 V378 H379 P696	K371-S375 VanDerWaalsContact O-CB 3.24Å; K371-S375 WeakPolarHBondContact O-CB 3.2Å; K371-S375 PolarHBondContact O-N 3.43Å; M372-S375 PolarHBondContact O-N 3.19Å; V373-S375 VanDerWaalsContact C-N 3.28Å; V373-S375 PolarHBondContact O-N 3.44Å; S375-V378 PolarHBondContact O-N 3.22Å; S375-H379 VanDerWaalsContact O-CB 3.26Å; S375-H379 WeakPolarHBondContact O-CB 3.39Å; S375-H379 PolarHBondContact O-N 3.22Å; S375-P696 VanDerWaalsContact OG-CD 3.27Å; S375-P696 WeakPolarHBondContact OG-CD 3.46Å
376	Y	94.9	Very high	93	Very high	76 Å²	76	45.5 Å²	45.5	30%	0.298	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-47.9	174.5	-178.6	-86.4	0	0	0	112.1	M372 V373 V378 H379 H380 Y382 P695 L697	M372-Y376 WeakPolarHBondContact O-CB 3.16Å; M372-Y376 PolarHBondContact O-N 3.23Å; V373-Y376 WeakPolarHBondContact O-CB 3.47Å; V373-Y376 PolarHBondContact O-N 3.31Å; V373-Y376 VanDerWaalsContact O-N 3.12Å; Y376-V378 VanDerWaalsContact C-N 3.33Å; Y376-V378 PolarHBondContact O-N 3.03Å; Y376-H379 PolarHBondContact O-N 2.82Å; Y376-H380 AromaticContact CD2-CD2 3.74Å; Y376-H380 AromaticContact CD2-NE2 3.91Å; Y376-H380 AromaticContact CE1-CD2 3.97Å; Y376-H380 AromaticContact CE2-CD2 3.46Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.46Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H380 AromaticContact CE2-NE2 3.34Å; Y376-H380 VanDerWaalsContact CE2-NE2 3.34Å; Y376-H380 WeakPolarHBondContact CE2-NE2 3.44Å; Y376-H380 AromaticContact CZ-CD2 3.56Å; Y376-H380 AromaticContact CZ-NE2 3.7Å; Y376-H380 PolarHBondContact O-CD2 2.94Å; Y376-H380 PolarHBondContact O-N 3.08Å; Y376-Y382 AromaticContact CE1-CE2 3.98Å; Y376-Y382 HydrophobicContact CE1-CE2 3.98Å; Y376-P695 HydrophobicContact CD2-CB 4.05Å; Y376-P695 HydrophobicContact CD2-CG 3.58Å; Y376-P695 HydrophobicContact CE2-CG 4.24Å; Y376-P695 HydrophobicContact CG-CG 4.45Å; Y376-L697 HydrophobicContact CD2-CD2 4.25Å; Y376-L697 HydrophobicContact CG-CD2 4.28Å
377	L	94.4	Very high	93	Very high	21 Å²	21	44.7 Å²	44.7	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-40.6	179.2	-66.1	174.1	0	0	0	112	V373 G381 Y382 T385 A386 F389	V373-L377 HydrophobicContact CG1-CD1 4.03Å; V373-L377 HydrophobicContact CG1-CG 4.28Å; V373-L377 WeakPolarHBondContact O-CG 3.5Å; V373-L377 PolarHBondContact O-N 3.14Å; L377-G381 PolarHBondContact O-N 3.03Å; L377-Y382 HydrophobicContact CD2-CD2 3.93Å; L377-Y382 HydrophobicContact CD2-CG 4.48Å; L377-Y382 PolarHBondContact O-N 3.09Å; L377-T385 HydrophobicContact CD1-CG2 4.13Å; L377-T385 HydrophobicContact CD2-CG2 3.97Å; L377-A386 HydrophobicContact CB-CB 3.81Å; L377-F389 HydrophobicContact CD1-CB 3.87Å; L377-F389 HydrophobicContact CD1-CD1 4.45Å; L377-F389 HydrophobicContact CD1-CD2 4.46Å; L377-F389 HydrophobicContact CD1-CG 4.01Å
378	V	93.5	Very high	93.1	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-48.3	175.7	173.1	0	0	0	0	111.1	S374 S375 Y376 H380 G381 A386 V397 E399 I404 R407	S374-V378 VanDerWaalsContact O-CG2 3.29Å; S374-V378 WeakPolarHBondContact O-CG2 3.33Å; S374-V378 PolarHBondContact O-N 3.28Å; S374-V378 VanDerWaalsContact O-N 3.11Å; S375-V378 PolarHBondContact O-N 3.22Å; Y376-V378 VanDerWaalsContact C-N 3.33Å; Y376-V378 PolarHBondContact O-N 3.03Å; V378-H380 PolarHBondContact O-N 3.11Å; V378-G381 PolarHBondContact O-N 3.42Å; V378-A386 HydrophobicContact CG2-CB 3.96Å; V378-V397 HydrophobicContact CG2-CB 4.49Å; V378-V397 HydrophobicContact CG2-CG1 3.81Å; V378-V397 HydrophobicContact CG2-CG2 4.05Å; V378-E399 HydrophobicContact CG1-CB 3.96Å; V378-E399 WeakPolarHBondContact CG1-OE2 3.38Å; V378-I404 HydrophobicContact CG1-CD1 4.04Å; V378-I404 HydrophobicContact CG1-CG1 4.4Å; V378-R407 PolarHBondContact O-NH2 3.21Å
379	H	93.4	Very high	93.3	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.046	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-51.1	179.9	178.1	-72.5	0	0	0	111.5	S375 Y376 G381 R407 N682 L686 P692 K693 P695	S375-H379 VanDerWaalsContact O-CB 3.26Å; S375-H379 WeakPolarHBondContact O-CB 3.39Å; S375-H379 PolarHBondContact O-N 3.22Å; Y376-H379 PolarHBondContact O-N 2.82Å; H379-G381 VanDerWaalsContact C-N 3.26Å; H379-G381 PolarHBondContact O-N 3.41Å; H379-R407 PolarHBondContact O-NH1 3.17Å; H379-N682 PolarHBondContact CE1-ND2 3.47Å; H379-N682 PolarHBondContact O-ND2 3.47Å; H379-L686 WeakPolarHBondContact CD2-CD1 3.48Å; H379-L686 WeakPolarHBondContact NE2-CD1 3.49Å; H379-P692 PolarHBondContact CD2-O 2.98Å; H379-K693 PolarHBondContact NE2-O 2.97Å; H379-P695 HydrophobicContact CB-CB 4.19Å
380	H	92.6	Very high	93.3	Very high	44 Å²	44	39.1 Å²	39.1	20%	0.204	21%	0.211	C	C	.	.	H	α-helix	trans	-77.3	-7.1	180	-74.5	-90.2	0	0	0	114.3	Y376 V378 Y382 Q411	Y376-H380 AromaticContact CD2-CD2 3.74Å; Y376-H380 AromaticContact CD2-NE2 3.91Å; Y376-H380 AromaticContact CE1-CD2 3.97Å; Y376-H380 AromaticContact CE2-CD2 3.46Å; Y376-H380 VanDerWaalsContact CE2-CD2 3.46Å; Y376-H380 WeakPolarHBondContact CE2-CD2 3.43Å; Y376-H380 AromaticContact CE2-NE2 3.34Å; Y376-H380 VanDerWaalsContact CE2-NE2 3.34Å; Y376-H380 WeakPolarHBondContact CE2-NE2 3.44Å; Y376-H380 AromaticContact CZ-CD2 3.56Å; Y376-H380 AromaticContact CZ-NE2 3.7Å; Y376-H380 PolarHBondContact O-CD2 2.94Å; Y376-H380 PolarHBondContact O-N 3.08Å; V378-H380 PolarHBondContact O-N 3.11Å; H380-Y382 HydrophobicContact CB-CD2 3.81Å; H380-Y382 HydrophobicContact CB-CE1 4.44Å; H380-Y382 HydrophobicContact CB-CE2 3.29Å; H380-Q411 PolarHBondContact O-NE2 3.37Å
381	G	91.7	Very high	93.2	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	21.9	174.4	0	0	0	0	0	114.6	L377 V378 H379 C383 Q408	L377-G381 PolarHBondContact O-N 3.03Å; V378-G381 PolarHBondContact O-N 3.42Å; H379-G381 VanDerWaalsContact C-N 3.26Å; H379-G381 PolarHBondContact O-N 3.41Å; G381-C383 PolarHBondContact O-N 2.97Å; G381-Q408 WeakPolarHBondContact O-CG 3.27Å; G381-Q408 PolarHBondContact O-NE2 3.4Å
382	Y	92	Very high	93.3	Very high	49 Å²	49	43.2 Å²	43.2	19%	0.192	23%	0.234	C	C	.	.			trans	-78.5	55.2	176.2	-53.3	-49.1	0	0	0	111.6	Y376 L377 H380 A384 T385 A386 F580	Y376-Y382 AromaticContact CE1-CE2 3.98Å; Y376-Y382 HydrophobicContact CE1-CE2 3.98Å; L377-Y382 HydrophobicContact CD2-CD2 3.93Å; L377-Y382 HydrophobicContact CD2-CG 4.48Å; L377-Y382 PolarHBondContact O-N 3.09Å; H380-Y382 HydrophobicContact CB-CD2 3.81Å; H380-Y382 HydrophobicContact CB-CE1 4.44Å; H380-Y382 HydrophobicContact CB-CE2 3.29Å; Y382-A384 PolarHBondContact O-N 3.35Å; Y382-T385 CarbonylContact O-C 3.54Å; Y382-T385 WeakPolarHBondContact O-CA 3.4Å; Y382-T385 WeakPolarHBondContact O-CB 3.17Å; Y382-T385 PolarHBondContact O-N 2.89Å; Y382-A386 PolarHBondContact O-N 2.93Å; Y382-F580 AromaticContact CE1-CD1 3.83Å; Y382-F580 HydrophobicContact CE1-CD1 3.83Å; Y382-F580 AromaticContact CE1-CE1 3.96Å; Y382-F580 HydrophobicContact CE1-CE1 3.96Å; Y382-F580 AromaticContact CZ-CE1 3.74Å; Y382-F580 WeakPolarHBondContact OH-CE1 3.34Å; Y382-F580 WeakPolarHBondContact OH-CZ 3.35Å
383	C	89.7	Confident	93.2	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-52.3	-49.4	-165.2	-174	0	0	0	0	114.7	G381 T385 A386 E387 L401 I404 Q408	G381-C383 PolarHBondContact O-N 2.97Å; C383-T385 VanDerWaalsContact C-N 3.32Å; C383-T385 PolarHBondContact O-N 3.27Å; C383-A386 PolarHBondContact O-N 3.23Å; C383-E387 WeakPolarHBondContact O-CG 3.31Å; C383-E387 PolarHBondContact O-N 3.28Å; C383-L401 WeakPolarHBondContact SG-CD1 3.48Å; C383-I404 HydrophobicContact CB-CG2 3.86Å; C383-Q408 VanDerWaalsContact CB-NE2 3.35Å
384	A	91	Very high	93	Very high	46 Å²	46	48.1 Å²	48.1	38%	0.38	26%	0.26	S	S	.	.	H	α-helix	trans	-61.3	-40.2	178.5	0	0	0	0	0	112.3	Y382 A388	Y382-A384 PolarHBondContact O-N 3.35Å; A384-A388 WeakPolarHBondContact O-CB 3.21Å; A384-A388 PolarHBondContact O-N 3.06Å
385	T	93.8	Very high	92.8	Very high	66 Å²	66	49 Å²	49	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-67.8	-42.4	174.7	-40.7	0	0	0	0	111.4	L377 Y382 C383 A388 F389	L377-T385 HydrophobicContact CD1-CG2 4.13Å; L377-T385 HydrophobicContact CD2-CG2 3.97Å; Y382-T385 CarbonylContact O-C 3.54Å; Y382-T385 WeakPolarHBondContact O-CA 3.4Å; Y382-T385 WeakPolarHBondContact O-CB 3.17Å; Y382-T385 PolarHBondContact O-N 2.89Å; C383-T385 VanDerWaalsContact C-N 3.32Å; C383-T385 PolarHBondContact O-N 3.27Å; T385-A388 PolarHBondContact O-N 3.42Å; T385-F389 WeakPolarHBondContact O-CB 3.49Å; T385-F389 PolarHBondContact O-N 2.97Å
386	A	92.9	Very high	92.4	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-44.7	176.7	0	0	0	0	0	111.6	L377 V378 Y382 C383 A390	L377-A386 HydrophobicContact CB-CB 3.81Å; V378-A386 HydrophobicContact CG2-CB 3.96Å; Y382-A386 PolarHBondContact O-N 2.93Å; C383-A386 PolarHBondContact O-N 3.23Å; A386-A390 WeakPolarHBondContact O-CB 3.49Å; A386-A390 PolarHBondContact O-N 3.09Å
387	E	91.2	Very high	91.8	Very high	74 Å²	74	51.4 Å²	51.4	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-42.5	174.7	-75.9	-173.7	-158.1	0	0	112.8	C383 R391	C383-E387 WeakPolarHBondContact O-CG 3.31Å; C383-E387 PolarHBondContact O-N 3.28Å; E387-R391 WeakPolarHBondContact O-CG 3.12Å; E387-R391 PolarHBondContact O-N 3.09Å; E387-R391 VanDerWaalsContact O-N 3.07Å; E387-R391 PolarHBondContact O-NE 2.98Å; E387-R391 IonicContact OE2-NH1 3.09Å; E387-R391 PolarHBondContact OE2-NH1 2.59Å; E387-R391 VanDerWaalsContact OE2-NH1 3.09Å
388	A	94.5	Very high	91.2	Very high	46 Å²	46	58.1 Å²	58.1	38%	0.38	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-46	177.9	0	0	0	0	0	111.3	A384 T385 R391 S392	A384-A388 WeakPolarHBondContact O-CB 3.21Å; A384-A388 PolarHBondContact O-N 3.06Å; T385-A388 PolarHBondContact O-N 3.42Å; A388-R391 PolarHBondContact O-N 3.38Å; A388-S392 PolarHBondContact O-N 2.91Å; A388-S392 VanDerWaalsContact O-N 3.15Å; A388-S392 PolarHBondContact O-OG 2.79Å
389	F	95.1	Very high	90.8	Very high	50 Å²	50	58.3 Å²	58.3	22%	0.219	32%	0.32	C	S	.	.	H	α-helix	trans	-62.4	-45.7	176.9	-173.5	-90.1	0	0	0	111.7	Q370 V373 L377 T385 R391 S392 T393	Q370-F389 HydrophobicContact CB-CE1 4.23Å; Q370-F389 HydrophobicContact CB-CZ 4.22Å; Q370-F389 HydrophobicContact CG-CZ 4.17Å; Q370-F389 WeakPolarHBondContact O-CE1 3.24Å; V373-F389 HydrophobicContact CB-CE1 4.27Å; V373-F389 HydrophobicContact CB-CE2 4.44Å; V373-F389 HydrophobicContact CB-CZ 3.91Å; V373-F389 HydrophobicContact CG1-CD2 4.25Å; V373-F389 HydrophobicContact CG1-CE1 4.12Å; V373-F389 HydrophobicContact CG1-CE2 3.77Å; V373-F389 HydrophobicContact CG1-CZ 3.7Å; L377-F389 HydrophobicContact CD1-CB 3.87Å; L377-F389 HydrophobicContact CD1-CD1 4.45Å; L377-F389 HydrophobicContact CD1-CD2 4.46Å; L377-F389 HydrophobicContact CD1-CG 4.01Å; T385-F389 WeakPolarHBondContact O-CB 3.49Å; T385-F389 PolarHBondContact O-N 2.97Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.19Å; F389-S392 CarbonylContact O-C 3.38Å; F389-S392 PolarHBondContact O-N 3.33Å; F389-S392 PolarHBondContact O-OG 3.08Å; F389-T393 HydrophobicContact CD1-CG2 4.43Å; F389-T393 HydrophobicContact CE1-CG2 4.04Å; F389-T393 WeakPolarHBondContact CE1-OG1 3.47Å; F389-T393 HydrophobicContact CE2-CG2 4.17Å; F389-T393 HydrophobicContact CZ-CG2 3.9Å; F389-T393 PolarHBondContact O-N 3.36Å; F389-T393 PolarHBondContact O-OG1 2.94Å
390	A	92.7	Very high	90.5	Very high	13 Å²	13	64.7 Å²	64.7	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-45.8	175.6	0	0	0	0	0	111.8	A386 S392 T393 D394 Q395 V397	A386-A390 WeakPolarHBondContact O-CB 3.49Å; A386-A390 PolarHBondContact O-N 3.09Å; A390-S392 VanDerWaalsContact C-N 3.26Å; A390-S392 PolarHBondContact O-N 2.88Å; A390-T393 PolarHBondContact O-N 3.5Å; A390-D394 PolarHBondContact O-N 3.21Å; A390-Q395 WeakPolarHBondContact CB-O 3.44Å; A390-Q395 PolarHBondContact O-N 2.93Å; A390-V397 HydrophobicContact CB-CG2 4.22Å
391	R	93.3	Very high	90.2	Very high	168 Å²	168	66 Å²	66	63%	0.634	36%	0.358	S	S	*	.	H	α-helix	trans	-65.6	-22	175.7	-73.1	-176.1	-63.2	-104.2	-0.3	114.3	E387 A388 F389	E387-R391 WeakPolarHBondContact O-CG 3.12Å; E387-R391 PolarHBondContact O-N 3.09Å; E387-R391 VanDerWaalsContact O-N 3.07Å; E387-R391 PolarHBondContact O-NE 2.98Å; E387-R391 IonicContact OE2-NH1 3.09Å; E387-R391 PolarHBondContact OE2-NH1 2.59Å; E387-R391 VanDerWaalsContact OE2-NH1 3.09Å; A388-R391 PolarHBondContact O-N 3.38Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.19Å
392	S	94.9	Very high	90.2	Very high	88 Å²	88	67.9 Å²	67.9	62%	0.615	37%	0.373	S	S	*	.	H	α-helix	trans	-99.7	-3.4	179	66	0	0	0	0	114.4	A388 F389 A390	A388-S392 PolarHBondContact O-N 2.91Å; A388-S392 VanDerWaalsContact O-N 3.15Å; A388-S392 PolarHBondContact O-OG 2.79Å; F389-S392 CarbonylContact O-C 3.38Å; F389-S392 PolarHBondContact O-N 3.33Å; F389-S392 PolarHBondContact O-OG 3.08Å; A390-S392 VanDerWaalsContact C-N 3.26Å; A390-S392 PolarHBondContact O-N 2.88Å
393	T	93.6	Very high	90.2	Very high	26 Å²	26	66.4 Å²	66.4	16%	0.16	37%	0.37	C	S	.	.	H	α-helix	trans	-137	10.5	-175	57.3	0	0	0	0	113.7	Q370 F389 A390 Q395	Q370-T393 HydrophobicContact CG-CG2 4.07Å; F389-T393 HydrophobicContact CD1-CG2 4.43Å; F389-T393 HydrophobicContact CE1-CG2 4.04Å; F389-T393 WeakPolarHBondContact CE1-OG1 3.47Å; F389-T393 HydrophobicContact CE2-CG2 4.17Å; F389-T393 HydrophobicContact CZ-CG2 3.9Å; F389-T393 PolarHBondContact O-N 3.36Å; F389-T393 PolarHBondContact O-OG1 2.94Å; A390-T393 PolarHBondContact O-N 3.5Å; T393-Q395 PolarHBondContact O-N 3.21Å; T393-Q395 VanDerWaalsContact O-N 3.08Å; T393-Q395 PolarHBondContact O-NE2 3.4Å; T393-Q395 WeakPolarHBondContact OG1-CG 3.31Å
394	D	90.7	Very high	90.2	Very high	155 Å²	155	66.2 Å²	66.2	83%	0.829	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	29.8	-176.3	-67.7	-43.4	0	0	0	114.7	A390	A390-D394 PolarHBondContact O-N 3.21Å
395	Q	88.8	Confident	90.3	Very high	28 Å²	28	69.3 Å²	69.3	13%	0.131	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-86.4	145.4	178.5	-59.4	-54.1	-44.2	0	0	112.1	Q370 A390 T393	Q370-Q395 HydrophobicContact CB-CG 4.18Å; A390-Q395 WeakPolarHBondContact CB-O 3.44Å; A390-Q395 PolarHBondContact O-N 2.93Å; T393-Q395 PolarHBondContact O-N 3.21Å; T393-Q395 VanDerWaalsContact O-N 3.08Å; T393-Q395 PolarHBondContact O-NE2 3.4Å; T393-Q395 WeakPolarHBondContact OG1-CG 3.31Å
396	T	85.9	Confident	90.4	Very high	110 Å²	110	68.8 Å²	68.8	68%	0.675	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-96.7	120.6	178.4	54.6	0	0	0	0	111.9	L398	T396-L398 PolarHBondContact O-N 3.44Å
397	V	82.9	Confident	90.5	Very high	55 Å²	55	68.8 Å²	68.8	33%	0.333	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-75.6	118.6	167.7	175.8	0	0	0	0	109.1	V378 A390 I404	V378-V397 HydrophobicContact CG2-CB 4.49Å; V378-V397 HydrophobicContact CG2-CG1 3.81Å; V378-V397 HydrophobicContact CG2-CG2 4.05Å; A390-V397 HydrophobicContact CB-CG2 4.22Å; V397-I404 HydrophobicContact CG1-CD1 4.11Å
398	L	81.2	Confident	90.7	Very high	161 Å²	161	67.2 Å²	67.2	84%	0.843	36%	0.36	S	S	*	.			trans	-89.1	-22.1	-176.1	-62.9	177.1	0	0	0	114.3	T396	T396-L398 PolarHBondContact O-N 3.44Å
399	E	86.1	Confident	90.7	Very high	21 Å²	21	71.5 Å²	71.5	10%	0.098	37%	0.366	C	S	.	.	S	Bend	trans	-87.3	137.9	179	-170.7	-175.7	164.5	0	0	110.9	V378 S403 I404 R407 L691	V378-E399 HydrophobicContact CG1-CB 3.96Å; V378-E399 WeakPolarHBondContact CG1-OE2 3.38Å; E399-S403 VanDerWaalsContact OE1-CB 3.22Å; E399-S403 WeakPolarHBondContact OE1-CB 3.36Å; E399-S403 PolarHBondContact OE1-OG 2.98Å; E399-I404 HydrophobicContact CB-CD1 4.3Å; E399-I404 HydrophobicContact CB-CG1 4.17Å; E399-I404 HydrophobicContact CG-CG1 3.92Å; E399-I404 PolarHBondContact OE1-N 3.05Å; E399-R407 VanDerWaalsContact CD-NH2 3.32Å; E399-R407 IonicContact OE1-CZ 2.69Å; E399-R407 IonicContact OE1-NE 3.68Å; E399-R407 PolarHBondContact OE1-NE 2.89Å; E399-R407 IonicContact OE1-NH2 3.91Å; E399-R407 PolarHBondContact OE1-NH2 3.13Å; E399-R407 IonicContact OE2-CZ 3.95Å; E399-R407 IonicContact OE2-NE 3.53Å; E399-R407 IonicContact OE2-NH2 3.83Å; E399-R407 PolarHBondContact OE2-NH2 3.48Å; E399-L691 HydrophobicContact CB-CD1 4.46Å; E399-L691 HydrophobicContact CG-CD1 3.94Å
400	E	87	Confident	90.8	Very high	143 Å²	143	69.3 Å²	69.3	67%	0.668	36%	0.357	S	S	*	.			trans	-64.8	136	178.2	-167.2	-173.9	164.5	0	0	112	A402 S403 I404	E400-A402 HydrophobicContact CG-CB 4.29Å; E400-A402 PolarHBondContact O-N 3.27Å; E400-S403 WeakPolarHBondContact O-CB 3.49Å; E400-S403 PolarHBondContact O-N 3.43Å; E400-I404 PolarHBondContact O-N 2.95Å; E400-I404 VanDerWaalsContact O-N 3.16Å
401	L	86.2	Confident	91	Very high	72 Å²	72	69.9 Å²	69.9	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-49.4	-33.7	177.1	-176.8	60	0	0	0	113.7	C383 K405	C383-L401 WeakPolarHBondContact SG-CD1 3.48Å; L401-K405 HydrophobicContact CD1-CD 4.33Å; L401-K405 HydrophobicContact CG-CD 4.18Å; L401-K405 WeakPolarHBondContact O-CB 3.31Å; L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.28Å; L401-K405 PolarHBondContact O-N 2.99Å
402	A	90.2	Very high	91.1	Very high	43 Å²	43	69 Å²	69	36%	0.355	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-42.9	175.7	0	0	0	0	0	112.6	E400 K405 N406	E400-A402 HydrophobicContact CG-CB 4.29Å; E400-A402 PolarHBondContact O-N 3.27Å; A402-K405 PolarHBondContact O-N 3.26Å; A402-N406 WeakPolarHBondContact O-CB 3.37Å; A402-N406 VanDerWaalsContact O-CG 3.27Å; A402-N406 PolarHBondContact O-N 2.66Å; A402-N406 PolarHBondContact O-ND2 2.86Å
403	S	91.8	Very high	91.3	Very high	19 Å²	19	65.4 Å²	65.4	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-46.4	175.9	179.7	0	0	0	0	111.1	E399 E400 K405 N406 R407	E399-S403 VanDerWaalsContact OE1-CB 3.22Å; E399-S403 WeakPolarHBondContact OE1-CB 3.36Å; E399-S403 PolarHBondContact OE1-OG 2.98Å; E400-S403 WeakPolarHBondContact O-CB 3.49Å; E400-S403 PolarHBondContact O-N 3.43Å; S403-K405 VanDerWaalsContact C-N 3.32Å; S403-K405 PolarHBondContact O-N 3.36Å; S403-N406 WeakPolarHBondContact O-CB 3.46Å; S403-N406 PolarHBondContact O-N 3.08Å; S403-N406 VanDerWaalsContact O-N 3.16Å; S403-R407 WeakPolarHBondContact O-CG 3.43Å; S403-R407 PolarHBondContact O-N 3.29Å
404	I	91.7	Very high	91.5	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.021	32%	0.324	C	S	.	.	H	α-helix	trans	-58.4	-45.1	177.4	-54.9	173.2	0	0	0	110.5	V378 C383 V397 E399 E400 R407 Q408	V378-I404 HydrophobicContact CG1-CD1 4.04Å; V378-I404 HydrophobicContact CG1-CG1 4.4Å; C383-I404 HydrophobicContact CB-CG2 3.86Å; V397-I404 HydrophobicContact CG1-CD1 4.11Å; E399-I404 HydrophobicContact CB-CD1 4.3Å; E399-I404 HydrophobicContact CB-CG1 4.17Å; E399-I404 HydrophobicContact CG-CG1 3.92Å; E399-I404 PolarHBondContact OE1-N 3.05Å; E400-I404 PolarHBondContact O-N 2.95Å; E400-I404 VanDerWaalsContact O-N 3.16Å; I404-R407 PolarHBondContact O-N 2.91Å; I404-Q408 WeakPolarHBondContact O-CG 3.27Å; I404-Q408 PolarHBondContact O-N 3.08Å
405	K	92.3	Very high	91.7	Very high	111 Å²	111	59.8 Å²	59.8	48%	0.483	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-36.2	177.6	-75.6	174.1	178.6	175.5	0	113.3	L401 A402 S403 Q408 R409	L401-K405 HydrophobicContact CD1-CD 4.33Å; L401-K405 HydrophobicContact CG-CD 4.18Å; L401-K405 WeakPolarHBondContact O-CB 3.31Å; L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.28Å; L401-K405 PolarHBondContact O-N 2.99Å; A402-K405 PolarHBondContact O-N 3.26Å; S403-K405 VanDerWaalsContact C-N 3.32Å; S403-K405 PolarHBondContact O-N 3.36Å; K405-Q408 PolarHBondContact O-N 3.45Å; K405-R409 PolarHBondContact O-N 2.98Å
406	N	94.7	Very high	92	Very high	56 Å²	56	60.6 Å²	60.6	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-64.5	-43.6	173.9	-76.6	-15.3	0	0	0	111.6	A402 S403 R409 I410 L429 Y430	A402-N406 WeakPolarHBondContact O-CB 3.37Å; A402-N406 VanDerWaalsContact O-CG 3.27Å; A402-N406 PolarHBondContact O-N 2.66Å; A402-N406 PolarHBondContact O-ND2 2.86Å; S403-N406 WeakPolarHBondContact O-CB 3.46Å; S403-N406 PolarHBondContact O-N 3.08Å; S403-N406 VanDerWaalsContact O-N 3.16Å; N406-R409 PolarHBondContact O-N 2.82Å; N406-I410 PolarHBondContact O-N 2.65Å; N406-L429 HydrophobicContact CB-CD1 3.96Å; N406-Y430 WeakPolarHBondContact CB-OH 3.34Å
407	R	95.5	Very high	92.5	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-46.8	173.9	-65.6	-173.4	-56.6	96	-6.3	111.6	V378 H379 E399 S403 I404 R409 I410 Q411 N682 I685	V378-R407 PolarHBondContact O-NH2 3.21Å; H379-R407 PolarHBondContact O-NH1 3.17Å; E399-R407 VanDerWaalsContact CD-NH2 3.32Å; E399-R407 IonicContact OE1-CZ 2.69Å; E399-R407 IonicContact OE1-NE 3.68Å; E399-R407 PolarHBondContact OE1-NE 2.89Å; E399-R407 IonicContact OE1-NH2 3.91Å; E399-R407 PolarHBondContact OE1-NH2 3.13Å; E399-R407 IonicContact OE2-CZ 3.95Å; E399-R407 IonicContact OE2-NE 3.53Å; E399-R407 IonicContact OE2-NH2 3.83Å; E399-R407 PolarHBondContact OE2-NH2 3.48Å; S403-R407 WeakPolarHBondContact O-CG 3.43Å; S403-R407 PolarHBondContact O-N 3.29Å; I404-R407 PolarHBondContact O-N 2.91Å; R407-R409 VanDerWaalsContact C-N 3.28Å; R407-R409 PolarHBondContact O-N 2.92Å; R407-I410 PolarHBondContact O-N 3.27Å; R407-I410 VanDerWaalsContact O-N 3.12Å; R407-Q411 VanDerWaalsContact O-CG 3.28Å; R407-Q411 WeakPolarHBondContact O-CG 3.2Å; R407-Q411 PolarHBondContact O-N 3.17Å; R407-Q411 PolarHBondContact O-OE1 2.96Å; R407-N682 WeakPolarHBondContact CD-OD1 3.49Å; R407-N682 PolarHBondContact NH1-OD1 3.03Å; R407-I685 HydrophobicContact CG-CG2 3.76Å
408	Q	94.8	Very high	93.1	Very high	42 Å²	42	57 Å²	57	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-52.1	-43.5	173.9	-78.3	-179.1	-25.4	0	0	112.9	G381 C383 I404 K405 Q411 K412	G381-Q408 WeakPolarHBondContact O-CG 3.27Å; G381-Q408 PolarHBondContact O-NE2 3.4Å; C383-Q408 VanDerWaalsContact CB-NE2 3.35Å; I404-Q408 WeakPolarHBondContact O-CG 3.27Å; I404-Q408 PolarHBondContact O-N 3.08Å; K405-Q408 PolarHBondContact O-N 3.45Å; Q408-Q411 PolarHBondContact O-N 3.29Å; Q408-K412 WeakPolarHBondContact O-CB 3.27Å; Q408-K412 WeakPolarHBondContact O-CG 3.47Å; Q408-K412 PolarHBondContact O-N 3.45Å
409	R	96.2	Very high	93.9	Very high	136 Å²	136	49.3 Å²	49.3	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-47.4	178.8	-178.7	179.4	170.9	167.8	-2.9	111.2	K405 N406 R407 L413 T425	K405-R409 PolarHBondContact O-N 2.98Å; N406-R409 PolarHBondContact O-N 2.82Å; R407-R409 VanDerWaalsContact C-N 3.28Å; R407-R409 PolarHBondContact O-N 2.92Å; R409-L413 WeakPolarHBondContact O-CG 3.44Å; R409-L413 PolarHBondContact O-N 3.36Å; R409-T425 HydrophobicContact CG-CG2 4.22Å
410	I	97.2	Very high	94.3	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-45.3	178.4	-66.7	164.8	0	0	0	110.9	N406 R407 K412 L413 V414 T425 L429 Y430 L681 I685	N406-I410 PolarHBondContact O-N 2.65Å; R407-I410 PolarHBondContact O-N 3.27Å; R407-I410 VanDerWaalsContact O-N 3.12Å; I410-K412 PolarHBondContact O-N 3.22Å; I410-L413 PolarHBondContact O-N 3.17Å; I410-L413 VanDerWaalsContact O-N 3.12Å; I410-V414 PolarHBondContact O-N 3.35Å; I410-T425 HydrophobicContact CD1-CG2 4.49Å; I410-T425 HydrophobicContact CG1-CG2 3.74Å; I410-L429 HydrophobicContact CD1-CD1 4.28Å; I410-Y430 HydrophobicContact CD1-CD2 3.95Å; I410-Y430 HydrophobicContact CD1-CE2 3.66Å; I410-L681 HydrophobicContact CG2-CD2 3.48Å; I410-L681 VanDerWaalsContact CG2-CD2 3.48Å; I410-L681 HydrophobicContact CG2-CG 4.18Å; I410-I685 HydrophobicContact CD1-CD1 3.87Å; I410-I685 HydrophobicContact CG2-CD1 4.45Å
411	Q	96.3	Very high	94.8	Very high	25 Å²	25	43.8 Å²	43.8	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-57.8	-45.7	177.9	-69.2	170	-60.8	0	0	111.6	H380 R407 Q408 L413 V414 L415	H380-Q411 PolarHBondContact O-NE2 3.37Å; R407-Q411 VanDerWaalsContact O-CG 3.28Å; R407-Q411 WeakPolarHBondContact O-CG 3.2Å; R407-Q411 PolarHBondContact O-N 3.17Å; R407-Q411 PolarHBondContact O-OE1 2.96Å; Q408-Q411 PolarHBondContact O-N 3.29Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.35Å; Q411-V414 PolarHBondContact O-N 3.2Å; Q411-L415 WeakPolarHBondContact O-CB 3.24Å; Q411-L415 WeakPolarHBondContact O-CG 3.21Å; Q411-L415 PolarHBondContact O-N 3.12Å
412	K	96.1	Very high	95.4	Very high	149 Å²	149	40.3 Å²	40.3	65%	0.648	20%	0.197	S	C	*	.	H	α-helix	trans	-59.5	-37	175.7	-78	-180	175	-173.1	0	113	Q408 I410 A416	Q408-K412 WeakPolarHBondContact O-CB 3.27Å; Q408-K412 WeakPolarHBondContact O-CG 3.47Å; Q408-K412 PolarHBondContact O-N 3.45Å; I410-K412 PolarHBondContact O-N 3.22Å; K412-A416 WeakPolarHBondContact O-CB 3.4Å; K412-A416 PolarHBondContact O-N 2.88Å; K412-A416 VanDerWaalsContact O-N 3.12Å
413	L	97.5	Very high	95.7	Very high	13 Å²	13	38.4 Å²	38.4	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-47.6	176.4	-66.7	168.8	0	0	0	111.3	R409 I410 Q411 A416 G417 R418 E421 A422 T425	R409-L413 WeakPolarHBondContact O-CG 3.44Å; R409-L413 PolarHBondContact O-N 3.36Å; I410-L413 PolarHBondContact O-N 3.17Å; I410-L413 VanDerWaalsContact O-N 3.12Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.35Å; L413-A416 PolarHBondContact O-N 2.93Å; L413-G417 PolarHBondContact O-N 3.08Å; L413-R418 HydrophobicContact CB-CB 4.35Å; L413-R418 HydrophobicContact CD2-CB 4.13Å; L413-R418 WeakPolarHBondContact O-CA 3.28Å; L413-R418 WeakPolarHBondContact O-CB 3.36Å; L413-R418 PolarHBondContact O-N 3.46Å; L413-E421 HydrophobicContact CD1-CB 4.24Å; L413-E421 HydrophobicContact CD2-CB 4.03Å; L413-A422 HydrophobicContact CB-CB 3.72Å; L413-T425 HydrophobicContact CD1-CG2 4.3Å; L413-T425 WeakPolarHBondContact CD1-OG1 3.09Å
414	V	97.5	Very high	96	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-48.8	177.3	176.5	0	0	0	0	111.7	I410 Q411 A416 G417 M419 A422 R674 C678 L681	I410-V414 PolarHBondContact O-N 3.35Å; Q411-V414 PolarHBondContact O-N 3.2Å; V414-A416 VanDerWaalsContact C-N 3.28Å; V414-A416 PolarHBondContact O-N 2.91Å; V414-G417 PolarHBondContact O-N 3.46Å; V414-M419 HydrophobicContact CB-SD 4.32Å; V414-M419 HydrophobicContact CG1-CE 4.2Å; V414-M419 HydrophobicContact CG1-SD 3.9Å; V414-M419 HydrophobicContact CG2-CE 4.29Å; V414-M419 HydrophobicContact CG2-SD 4.42Å; V414-A422 HydrophobicContact CG2-CB 3.64Å; V414-R674 WeakPolarHBondContact O-CD 3.2Å; V414-C678 HydrophobicContact CB-CB 4.31Å; V414-C678 HydrophobicContact CG1-CB 3.7Å; V414-L681 HydrophobicContact CG2-CD2 4.09Å
415	L	95.5	Very high	96.3	Very high	62 Å²	62	43.8 Å²	43.8	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-26.5	-178.3	-65.6	173.3	0	0	0	112.8	Q411 G417 R674 E675 C678	Q411-L415 WeakPolarHBondContact O-CB 3.24Å; Q411-L415 WeakPolarHBondContact O-CG 3.21Å; Q411-L415 PolarHBondContact O-N 3.12Å; L415-G417 VanDerWaalsContact C-N 3.26Å; L415-G417 PolarHBondContact O-N 3.01Å; L415-R674 HydrophobicContact CD2-CB 4.31Å; L415-R674 WeakPolarHBondContact O-CD 3.37Å; L415-R674 PolarHBondContact O-NH1 3.28Å; L415-E675 HydrophobicContact CD2-CG 4.06Å; L415-C678 HydrophobicContact CD2-CB 4.16Å
416	A	95.4	Very high	96.5	Very high	45 Å²	45	38.5 Å²	38.5	37%	0.372	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.2	170.3	0	0	0	0	0	114.2	K412 L413 V414 R418	K412-A416 WeakPolarHBondContact O-CB 3.4Å; K412-A416 PolarHBondContact O-N 2.88Å; K412-A416 VanDerWaalsContact O-N 3.12Å; L413-A416 PolarHBondContact O-N 2.93Å; V414-A416 VanDerWaalsContact C-N 3.28Å; V414-A416 PolarHBondContact O-N 2.91Å; A416-R418 VanDerWaalsContact C-N 3.29Å; A416-R418 HydrophobicContact CB-CG 4.08Å
417	G	95.7	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	12.7	-174.6	0	0	0	0	0	114.3	L413 V414 L415 M419 E451	L413-G417 PolarHBondContact O-N 3.08Å; V414-G417 PolarHBondContact O-N 3.46Å; L415-G417 VanDerWaalsContact C-N 3.26Å; L415-G417 PolarHBondContact O-N 3.01Å; G417-M419 VanDerWaalsContact C-N 3.27Å; G417-M419 PolarHBondContact O-N 3.08Å; G417-M419 VanDerWaalsContact O-N 3.12Å; G417-E451 WeakPolarHBondContact O-CB 3.19Å
418	R	96.5	Very high	96.7	Very high	90 Å²	90	46.6 Å²	46.6	34%	0.34	22%	0.217	S	C	.	.			trans	-88.1	63.8	179.2	-58.5	-161.8	-81.7	160.9	-21	110.2	L413 A416 E421 A422	L413-R418 HydrophobicContact CB-CB 4.35Å; L413-R418 HydrophobicContact CD2-CB 4.13Å; L413-R418 WeakPolarHBondContact O-CA 3.28Å; L413-R418 WeakPolarHBondContact O-CB 3.36Å; L413-R418 PolarHBondContact O-N 3.46Å; A416-R418 VanDerWaalsContact C-N 3.29Å; A416-R418 HydrophobicContact CB-CG 4.08Å; R418-E421 HydrophobicContact CB-CB 4.27Å; R418-E421 VanDerWaalsContact CD-OE1 3.31Å; R418-E421 WeakPolarHBondContact CD-OE1 3.47Å; R418-E421 IonicContact CZ-OE2 3.97Å; R418-E421 IonicContact NE-OE2 2.9Å; R418-E421 IonicContact NH1-OE1 3.57Å; R418-E421 IonicContact NH1-OE2 2.83Å; R418-E421 PolarHBondContact NH1-OE2 2.92Å; R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.48Å; R418-A422 PolarHBondContact O-N 3.05Å
419	M	96.9	Very high	96.8	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-70	-36.5	-170	-61.1	-57.7	-51.1	0	0	112.6	V414 G417 A422 I423 L444 R447 Q448 E451 D457 V677	V414-M419 HydrophobicContact CB-SD 4.32Å; V414-M419 HydrophobicContact CG1-CE 4.2Å; V414-M419 HydrophobicContact CG1-SD 3.9Å; V414-M419 HydrophobicContact CG2-CE 4.29Å; V414-M419 HydrophobicContact CG2-SD 4.42Å; G417-M419 VanDerWaalsContact C-N 3.27Å; G417-M419 PolarHBondContact O-N 3.08Å; G417-M419 VanDerWaalsContact O-N 3.12Å; M419-A422 PolarHBondContact O-N 3.32Å; M419-I423 WeakPolarHBondContact O-CD1 3.32Å; M419-I423 WeakPolarHBondContact O-CG1 3.49Å; M419-I423 PolarHBondContact O-N 3.12Å; M419-L444 HydrophobicContact CE-CD2 3.58Å; M419-R447 HydrophobicContact CE-CB 4.06Å; M419-R447 HydrophobicContact CE-CG 4.03Å; M419-R447 HydrophobicContact CG-CG 4.06Å; M419-R447 HydrophobicContact SD-CB 4.45Å; M419-R447 HydrophobicContact SD-CG 3.82Å; M419-Q448 HydrophobicContact CB-CB 3.58Å; M419-Q448 HydrophobicContact CB-CG 3.92Å; M419-Q448 HydrophobicContact CG-CB 4.38Å; M419-E451 HydrophobicContact CG-CB 4.33Å; M419-E451 HydrophobicContact CG-CG 3.76Å; M419-D457 PolarHBondContact N-OD2 3.13Å; M419-V677 HydrophobicContact CE-CG1 4.14Å
420	G	96.1	Very high	96.8	Very high	3 Å²	3	41.4 Å²	41.4	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-57.1	173	0	0	0	0	0	111.7	A422 I423 E424 Q448 D457	G420-A422 VanDerWaalsContact C-N 3.26Å; G420-A422 PolarHBondContact O-N 2.91Å; G420-I423 PolarHBondContact O-N 2.86Å; G420-I423 VanDerWaalsContact O-N 3.1Å; G420-E424 WeakPolarHBondContact O-CG 3.37Å; G420-E424 PolarHBondContact O-N 3.15Å; G420-Q448 VanDerWaalsContact CA-NE2 3.28Å; G420-D457 PolarHBondContact N-OD2 2.93Å
421	E	97.2	Very high	96.6	Very high	44 Å²	44	45.8 Å²	45.8	21%	0.206	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-36.2	177	-63	169.3	-127.9	0	0	112.4	L413 R418 T425 S458 R461	L413-E421 HydrophobicContact CD1-CB 4.24Å; L413-E421 HydrophobicContact CD2-CB 4.03Å; R418-E421 HydrophobicContact CB-CB 4.27Å; R418-E421 VanDerWaalsContact CD-OE1 3.31Å; R418-E421 WeakPolarHBondContact CD-OE1 3.47Å; R418-E421 IonicContact CZ-OE2 3.97Å; R418-E421 IonicContact NE-OE2 2.9Å; R418-E421 IonicContact NH1-OE1 3.57Å; R418-E421 IonicContact NH1-OE2 2.83Å; R418-E421 PolarHBondContact NH1-OE2 2.92Å; E421-T425 WeakPolarHBondContact O-CB 3.42Å; E421-T425 PolarHBondContact O-N 2.96Å; E421-T425 PolarHBondContact O-OG1 3.38Å; E421-S458 WeakPolarHBondContact OE1-CB 3.42Å; E421-R461 IonicContact OE1-NH1 2.68Å
422	A	98.1	Very high	96.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.9	-41.6	176.5	0	0	0	0	0	112.6	L413 V414 R418 M419 G420 T426	L413-A422 HydrophobicContact CB-CB 3.72Å; V414-A422 HydrophobicContact CG2-CB 3.64Å; R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.48Å; R418-A422 PolarHBondContact O-N 3.05Å; M419-A422 PolarHBondContact O-N 3.32Å; G420-A422 VanDerWaalsContact C-N 3.26Å; G420-A422 PolarHBondContact O-N 2.91Å; A422-T426 WeakPolarHBondContact O-CB 3.48Å; A422-T426 PolarHBondContact O-N 3.38Å; A422-T426 PolarHBondContact O-OG1 2.99Å
423	I	97.6	Very high	96.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-65.1	-48.6	176.9	-70.5	164.1	0	0	0	109.8	M419 G420 T426 Q427 L434 L441 L444 K445	M419-I423 WeakPolarHBondContact O-CD1 3.32Å; M419-I423 WeakPolarHBondContact O-CG1 3.49Å; M419-I423 PolarHBondContact O-N 3.12Å; G420-I423 PolarHBondContact O-N 2.86Å; G420-I423 VanDerWaalsContact O-N 3.1Å; I423-T426 WeakPolarHBondContact O-CB 3.41Å; I423-T426 PolarHBondContact O-N 3.37Å; I423-Q427 WeakPolarHBondContact O-CG 3.38Å; I423-Q427 PolarHBondContact O-N 2.97Å; I423-L434 HydrophobicContact CG2-CD1 3.93Å; I423-L441 HydrophobicContact CG2-CD1 4.15Å; I423-L444 HydrophobicContact CD1-CB 3.92Å; I423-L444 HydrophobicContact CG1-CB 4.02Å; I423-L444 HydrophobicContact CG1-CD1 4.41Å; I423-K445 HydrophobicContact CD1-CD 3.88Å; I423-K445 HydrophobicContact CD1-CG 4.22Å
424	E	97.2	Very high	96.4	Very high	126 Å²	126	38.8 Å²	38.8	59%	0.589	20%	0.201	S	C	*	.	H	α-helix	trans	-60.2	-48.4	177.5	-69.8	170.1	-174.4	0	0	112	G420 T426 Q427 Q428	G420-E424 WeakPolarHBondContact O-CG 3.37Å; G420-E424 PolarHBondContact O-N 3.15Å; E424-T426 VanDerWaalsContact C-N 3.26Å; E424-T426 PolarHBondContact O-N 3.35Å; E424-Q427 PolarHBondContact O-N 3.21Å; E424-Q427 VanDerWaalsContact O-N 3.14Å; E424-Q428 WeakPolarHBondContact O-CB 3.41Å; E424-Q428 PolarHBondContact O-N 3.24Å
425	T	97.7	Very high	96.1	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-36.4	176.5	-58.4	0	0	0	0	111.2	R409 I410 L413 E421 L429	R409-T425 HydrophobicContact CG-CG2 4.22Å; I410-T425 HydrophobicContact CD1-CG2 4.49Å; I410-T425 HydrophobicContact CG1-CG2 3.74Å; L413-T425 HydrophobicContact CD1-CG2 4.3Å; L413-T425 WeakPolarHBondContact CD1-OG1 3.09Å; E421-T425 WeakPolarHBondContact O-CB 3.42Å; E421-T425 PolarHBondContact O-N 2.96Å; E421-T425 PolarHBondContact O-OG1 3.38Å; T425-L429 HydrophobicContact CG2-CD1 3.69Å; T425-L429 HydrophobicContact CG2-CG 4.32Å; T425-L429 WeakPolarHBondContact O-CB 3.42Å; T425-L429 WeakPolarHBondContact O-CG 3.34Å; T425-L429 PolarHBondContact O-N 2.97Å
426	T	97.7	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.9	-44.9	174.3	-58.4	0	0	0	0	111.5	A422 I423 E424 Q428 L429 Y430 L433 L434 L681	A422-T426 WeakPolarHBondContact O-CB 3.48Å; A422-T426 PolarHBondContact O-N 3.38Å; A422-T426 PolarHBondContact O-OG1 2.99Å; I423-T426 WeakPolarHBondContact O-CB 3.41Å; I423-T426 PolarHBondContact O-N 3.37Å; E424-T426 VanDerWaalsContact C-N 3.26Å; E424-T426 PolarHBondContact O-N 3.35Å; T426-Q428 VanDerWaalsContact C-N 3.32Å; T426-Q428 PolarHBondContact O-N 2.99Å; T426-L429 PolarHBondContact O-N 2.89Å; T426-Y430 CarbonylContact O-C 3.59Å; T426-Y430 WeakPolarHBondContact O-CA 3.12Å; T426-Y430 PolarHBondContact O-N 3.05Å; T426-L433 HydrophobicContact CG2-CD2 4.29Å; T426-L434 HydrophobicContact CG2-CD1 3.97Å; T426-L434 HydrophobicContact CG2-CD2 4.31Å; T426-L434 HydrophobicContact CG2-CG 3.93Å; T426-L681 HydrophobicContact CG2-CD1 3.89Å
427	Q	97	Very high	96	Very high	88 Å²	88	51.9 Å²	51.9	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-34.7	178.8	-68.7	175.4	-74.1	0	0	112.2	I423 E424 L434	I423-Q427 WeakPolarHBondContact O-CG 3.38Å; I423-Q427 PolarHBondContact O-N 2.97Å; E424-Q427 PolarHBondContact O-N 3.21Å; E424-Q427 VanDerWaalsContact O-N 3.14Å; Q427-L434 HydrophobicContact CG-CD1 4.07Å
428	Q	97	Very high	95.9	Very high	138 Å²	138	54.1 Å²	54.1	65%	0.645	26%	0.261	S	S	*	.	H	α-helix	trans	-69.4	-45.5	176.2	-172.5	-177.5	23.7	0	0	112.6	E424 T426	E424-Q428 WeakPolarHBondContact O-CB 3.41Å; E424-Q428 PolarHBondContact O-N 3.24Å; T426-Q428 VanDerWaalsContact C-N 3.32Å; T426-Q428 PolarHBondContact O-N 2.99Å
429	L	96.2	Very high	95.7	Very high	50 Å²	50	52.5 Å²	52.5	26%	0.262	26%	0.259	S	S	.	.	H	α-helix	trans	-85.2	-28.7	-175.4	-63.6	176.5	0	0	0	113.1	N406 I410 T425 T426	N406-L429 HydrophobicContact CB-CD1 3.96Å; I410-L429 HydrophobicContact CD1-CD1 4.28Å; T425-L429 HydrophobicContact CG2-CD1 3.69Å; T425-L429 HydrophobicContact CG2-CG 4.32Å; T425-L429 WeakPolarHBondContact O-CB 3.42Å; T425-L429 WeakPolarHBondContact O-CG 3.34Å; T425-L429 PolarHBondContact O-N 2.97Å; T426-L429 PolarHBondContact O-N 2.89Å
430	Y	95.7	Very high	95.7	Very high	19 Å²	19	53.6 Å²	53.6	8%	0.075	27%	0.265	C	S	.	.	S	Bend	trans	-132.9	72.1	-178	-53	-67.3	0	0	0	111.7	N406 I410 T426 L433 I685 H689	N406-Y430 WeakPolarHBondContact CB-OH 3.34Å; I410-Y430 HydrophobicContact CD1-CD2 3.95Å; I410-Y430 HydrophobicContact CD1-CE2 3.66Å; T426-Y430 CarbonylContact O-C 3.59Å; T426-Y430 WeakPolarHBondContact O-CA 3.12Å; T426-Y430 PolarHBondContact O-N 3.05Å; Y430-L433 HydrophobicContact CG-CD1 4.18Å; Y430-L433 WeakPolarHBondContact O-CB 3.21Å; Y430-L433 PolarHBondContact O-N 2.74Å; Y430-L433 VanDerWaalsContact O-N 3.15Å; Y430-I685 HydrophobicContact CD1-CG2 4.21Å; Y430-I685 HydrophobicContact CD2-CD1 4.11Å; Y430-I685 HydrophobicContact CD2-CG1 3.91Å; Y430-I685 HydrophobicContact CD2-CG2 3.92Å; Y430-I685 HydrophobicContact CE1-CG2 3.78Å; Y430-I685 HydrophobicContact CE2-CB 4.42Å; Y430-I685 HydrophobicContact CE2-CD1 3.96Å; Y430-I685 HydrophobicContact CE2-CG1 4.04Å; Y430-I685 HydrophobicContact CE2-CG2 3.45Å; Y430-I685 VanDerWaalsContact CE2-CG2 3.45Å; Y430-I685 HydrophobicContact CG-CG2 4.27Å; Y430-H689 AromaticContact CD1-CE1 3.66Å; Y430-H689 AromaticContact CE1-CE1 3.42Å; Y430-H689 VanDerWaalsContact CE1-CE1 3.42Å; Y430-H689 WeakPolarHBondContact CE1-CE1 3.48Å; Y430-H689 AromaticContact CE1-NE2 3.96Å
431	P	94.4	Very high	95.7	Very high	96 Å²	96	55 Å²	55	62%	0.623	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	141.6	-179.2	-28	36.2	0	0	0	113.6	L433	P431-L433 PolarHBondContact O-N 3.34Å; P431-L433 VanDerWaalsContact O-N 3.15Å
432	S	92.4	Very high	95.7	Very high	34 Å²	34	53 Å²	53	24%	0.238	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-1.6	-173.5	76.9	0	0	0	0	118	L434 E435 R436	S432-L434 PolarHBondContact O-N 3.46Å; S432-E435 VanDerWaalsContact CA-OE2 3.27Å; S432-E435 WeakPolarHBondContact CA-OE2 3.27Å; S432-E435 VanDerWaalsContact CB-OE2 3.26Å; S432-E435 WeakPolarHBondContact CB-OE2 3.42Å; S432-E435 PolarHBondContact O-N 2.62Å; S432-R436 WeakPolarHBondContact O-CB 3.5Å; S432-R436 VanDerWaalsContact O-CG 3.25Å; S432-R436 WeakPolarHBondContact O-CG 3.41Å; S432-R436 PolarHBondContact O-N 3.05Å; S432-R436 PolarHBondContact OG-NE 3.32Å; S432-R436 PolarHBondContact OG-NH2 3Å; S432-R436 VanDerWaalsContact OG-NH2 3.15Å
433	L	96	Very high	95.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-50	179.3	-175.4	160.8	0	0	0	112	T426 Y430 P431 N437 L440 L681 A684 I685 T688	T426-L433 HydrophobicContact CG2-CD2 4.29Å; Y430-L433 HydrophobicContact CG-CD1 4.18Å; Y430-L433 WeakPolarHBondContact O-CB 3.21Å; Y430-L433 PolarHBondContact O-N 2.74Å; Y430-L433 VanDerWaalsContact O-N 3.15Å; P431-L433 PolarHBondContact O-N 3.34Å; P431-L433 VanDerWaalsContact O-N 3.15Å; L433-N437 WeakPolarHBondContact O-CB 3.33Å; L433-N437 PolarHBondContact O-N 2.99Å; L433-N437 PolarHBondContact O-ND2 3.35Å; L433-L440 HydrophobicContact CD2-CD2 4.25Å; L433-L681 HydrophobicContact CD2-CD1 4.37Å; L433-A684 HydrophobicContact CD2-CB 4.19Å; L433-I685 HydrophobicContact CD1-CB 4.21Å; L433-I685 HydrophobicContact CD1-CG1 3.56Å; L433-T688 HydrophobicContact CB-CG2 4.49Å; L433-T688 HydrophobicContact CD1-CG2 4Å; L433-T688 HydrophobicContact CG-CG2 4.08Å
434	L	96.2	Very high	95.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-76.5	-24.7	-179.2	-65.2	-177.3	0	0	0	113.2	I423 T426 Q427 S432 N437 L440 L441 L444 L681	I423-L434 HydrophobicContact CG2-CD1 3.93Å; T426-L434 HydrophobicContact CG2-CD1 3.97Å; T426-L434 HydrophobicContact CG2-CD2 4.31Å; T426-L434 HydrophobicContact CG2-CG 3.93Å; Q427-L434 HydrophobicContact CG-CD1 4.07Å; S432-L434 PolarHBondContact O-N 3.46Å; L434-N437 CarbonylContact O-C 3.45Å; L434-N437 VanDerWaalsContact O-C 3.29Å; L434-N437 PolarHBondContact O-N 3.15Å; L434-L440 HydrophobicContact CD2-CD2 4.05Å; L434-L440 HydrophobicContact CD2-CG 4.18Å; L434-L441 HydrophobicContact CB-CB 4.24Å; L434-L441 HydrophobicContact CB-CD1 4.19Å; L434-L441 HydrophobicContact CD1-CD1 3.96Å; L434-L444 HydrophobicContact CD1-CD1 4.22Å; L434-L444 HydrophobicContact CD2-CD1 3.55Å; L434-L681 HydrophobicContact CD2-CD1 4.31Å
435	E	92.7	Very high	95.6	Very high	137 Å²	137	51.2 Å²	51.2	64%	0.64	26%	0.256	S	S	*	.	H	α-helix	trans	-70	-42.4	174.5	-62.5	167.3	178.2	0	0	111.1	S432 N437	S432-E435 VanDerWaalsContact CA-OE2 3.27Å; S432-E435 WeakPolarHBondContact CA-OE2 3.27Å; S432-E435 VanDerWaalsContact CB-OE2 3.26Å; S432-E435 WeakPolarHBondContact CB-OE2 3.42Å; S432-E435 PolarHBondContact O-N 2.62Å; E435-N437 VanDerWaalsContact C-N 3.26Å; E435-N437 PolarHBondContact O-N 2.84Å
436	R	93.3	Very high	95.6	Very high	189 Å²	189	50.8 Å²	50.8	71%	0.713	25%	0.253	S	S	*	.	H	α-helix	trans	-70.8	-20.5	174.4	-66.1	173.1	-164.4	-153.6	3.4	113	S432 P438	S432-R436 WeakPolarHBondContact O-CB 3.5Å; S432-R436 VanDerWaalsContact O-CG 3.25Å; S432-R436 WeakPolarHBondContact O-CG 3.41Å; S432-R436 PolarHBondContact O-N 3.05Å; S432-R436 PolarHBondContact OG-NE 3.32Å; S432-R436 PolarHBondContact OG-NH2 3Å; S432-R436 VanDerWaalsContact OG-NH2 3.15Å; R436-P438 WeakPolarHBondContact O-CD 3.36Å
437	N	94	Very high	95.5	Very high	57 Å²	57	51.3 Å²	51.3	31%	0.305	26%	0.255	S	S	.	.			trans	-120.5	63.5	-178.3	-66.9	-79.2	0	0	0	111.7	L433 L434 E435 N439 L440 L441	L433-N437 WeakPolarHBondContact O-CB 3.33Å; L433-N437 PolarHBondContact O-N 2.99Å; L433-N437 PolarHBondContact O-ND2 3.35Å; L434-N437 CarbonylContact O-C 3.45Å; L434-N437 VanDerWaalsContact O-C 3.29Å; L434-N437 PolarHBondContact O-N 3.15Å; E435-N437 VanDerWaalsContact C-N 3.26Å; E435-N437 PolarHBondContact O-N 2.84Å; N437-N439 PolarHBondContact O-N 2.76Å; N437-N439 VanDerWaalsContact O-N 3.17Å; N437-L440 HydrophobicContact CB-CB 3.91Å; N437-L440 HydrophobicContact CB-CD2 4.41Å; N437-L440 WeakPolarHBondContact O-CA 3.45Å; N437-L440 WeakPolarHBondContact O-CB 3.45Å; N437-L440 PolarHBondContact O-N 3.13Å; N437-L441 PolarHBondContact O-N 2.8Å
438	P	94	Very high	95.5	Very high	46 Å²	46	47.3 Å²	47.3	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-66.5	-23.8	-171.4	29.1	-37.3	0	0	0	113.2	R436 F442 L634	R436-P438 WeakPolarHBondContact O-CD 3.36Å; P438-F442 WeakPolarHBondContact O-CB 3.49Å; P438-F442 PolarHBondContact O-N 2.67Å; P438-L634 HydrophobicContact CB-CD2 3.98Å; P438-L634 HydrophobicContact CG-CD2 4.12Å
439	N	93.3	Very high	95.5	Very high	56 Å²	56	40.7 Å²	40.7	30%	0.299	21%	0.206	S	C	.	.	H	α-helix	trans	-68.5	-38.1	169.6	-75.7	-77.9	0	0	0	112.5	N437 F442 T443 N641 N644	N437-N439 PolarHBondContact O-N 2.76Å; N437-N439 VanDerWaalsContact O-N 3.17Å; N439-F442 PolarHBondContact O-N 2.95Å; N439-T443 PolarHBondContact O-N 2.84Å; N439-T443 PolarHBondContact O-OG1 2.85Å; N439-T443 VanDerWaalsContact O-OG1 3.12Å; N439-N641 PolarHBondContact OD1-ND2 2.95Å; N439-N644 PolarHBondContact OD1-ND2 2.99Å
440	L	95.4	Very high	95.4	Very high	23 Å²	23	38.8 Å²	38.8	12%	0.12	20%	0.195	C	C	.	.	H	α-helix	trans	-67.9	-44	174.7	175.5	62.7	0	0	0	110.8	L433 L434 N437 F442 T443 L444 A680 L681 A684	L433-L440 HydrophobicContact CD2-CD2 4.25Å; L434-L440 HydrophobicContact CD2-CD2 4.05Å; L434-L440 HydrophobicContact CD2-CG 4.18Å; N437-L440 HydrophobicContact CB-CB 3.91Å; N437-L440 HydrophobicContact CB-CD2 4.41Å; N437-L440 WeakPolarHBondContact O-CA 3.45Å; N437-L440 WeakPolarHBondContact O-CB 3.45Å; N437-L440 PolarHBondContact O-N 3.13Å; L440-F442 VanDerWaalsContact C-N 3.26Å; L440-F442 PolarHBondContact O-N 3.02Å; L440-T443 PolarHBondContact O-N 3.48Å; L440-L444 HydrophobicContact CD1-CD1 4.28Å; L440-L444 HydrophobicContact CD1-CG 4.36Å; L440-L444 HydrophobicContact CG-CD1 4Å; L440-L444 WeakPolarHBondContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CG 3.46Å; L440-L444 PolarHBondContact O-N 2.97Å; L440-A680 HydrophobicContact CD1-CB 4.08Å; L440-L681 HydrophobicContact CD2-CD1 4.17Å; L440-A684 HydrophobicContact CD2-CB 3.51Å
441	L	96.8	Very high	95.4	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-40	173.6	179.7	61.9	0	0	0	111.3	I423 L434 N437 L444 K445 M630	I423-L441 HydrophobicContact CG2-CD1 4.15Å; L434-L441 HydrophobicContact CB-CB 4.24Å; L434-L441 HydrophobicContact CB-CD1 4.19Å; L434-L441 HydrophobicContact CD1-CD1 3.96Å; N437-L441 PolarHBondContact O-N 2.8Å; L441-L444 PolarHBondContact O-N 2.9Å; L441-K445 HydrophobicContact CD1-CG 4.24Å; L441-K445 WeakPolarHBondContact O-CB 3.47Å; L441-K445 VanDerWaalsContact O-CG 3.31Å; L441-K445 WeakPolarHBondContact O-CG 3.42Å; L441-K445 PolarHBondContact O-N 3.22Å; L441-M630 HydrophobicContact CB-CE 4.06Å; L441-M630 HydrophobicContact CD2-CE 3.84Å; L441-M630 HydrophobicContact CG-CE 3.77Å
442	F	96.2	Very high	95.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-46	174.7	-177.8	-102.8	0	0	0	112.4	P438 N439 L440 L444 K445 V446 L627 M630 L634 N644 M647 L648	P438-F442 WeakPolarHBondContact O-CB 3.49Å; P438-F442 PolarHBondContact O-N 2.67Å; N439-F442 PolarHBondContact O-N 2.95Å; L440-F442 VanDerWaalsContact C-N 3.26Å; L440-F442 PolarHBondContact O-N 3.02Å; F442-L444 VanDerWaalsContact C-N 3.33Å; F442-L444 PolarHBondContact O-N 3.44Å; F442-K445 CarbonylContact O-C 3.54Å; F442-K445 PolarHBondContact O-N 2.92Å; F442-K445 VanDerWaalsContact O-N 3.17Å; F442-V446 HydrophobicContact CD1-CG2 4.19Å; F442-V446 HydrophobicContact CE1-CG2 3.75Å; F442-V446 HydrophobicContact CE2-CG2 4.15Å; F442-V446 HydrophobicContact CZ-CG2 3.74Å; F442-V446 WeakPolarHBondContact O-CG2 3.27Å; F442-V446 PolarHBondContact O-N 3.24Å; F442-L627 HydrophobicContact CD2-CD1 3.95Å; F442-L627 HydrophobicContact CE2-CD1 3.71Å; F442-L627 HydrophobicContact CE2-CG 4.28Å; F442-M630 HydrophobicContact CB-CE 3.93Å; F442-M630 HydrophobicContact CB-SD 4.19Å; F442-M630 HydrophobicContact CD2-CB 4.42Å; F442-M630 HydrophobicContact CD2-CG 4.13Å; F442-M630 HydrophobicContact CD2-SD 3.89Å; F442-L634 HydrophobicContact CB-CD1 3.49Å; F442-L634 VanDerWaalsContact CB-CD1 3.49Å; F442-L634 HydrophobicContact CD1-CD1 4.37Å; F442-L634 HydrophobicContact CD2-CD1 3.99Å; F442-L634 HydrophobicContact CG-CD1 3.69Å; F442-N644 HydrophobicContact CD1-CB 4.02Å; F442-N644 HydrophobicContact CE1-CB 3.6Å; F442-N644 HydrophobicContact CZ-CB 4.49Å; F442-M647 HydrophobicContact CD1-CE 3.6Å; F442-M647 HydrophobicContact CE1-CE 3.65Å; F442-L648 HydrophobicContact CZ-CB 4.22Å; F442-L648 HydrophobicContact CZ-CD1 4.16Å; F442-L648 HydrophobicContact CZ-CD2 4.48Å
443	T	96.3	Very high	95.3	Very high	37 Å²	37	31.8 Å²	31.8	23%	0.227	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-45.1	173.5	-58.7	0	0	0	0	112	N439 L440 K445 V446 R447 M647 V677	N439-T443 PolarHBondContact O-N 2.84Å; N439-T443 PolarHBondContact O-OG1 2.85Å; N439-T443 VanDerWaalsContact O-OG1 3.12Å; L440-T443 PolarHBondContact O-N 3.48Å; T443-K445 VanDerWaalsContact C-N 3.35Å; T443-K445 PolarHBondContact O-N 3.01Å; T443-V446 PolarHBondContact O-N 3.11Å; T443-R447 PolarHBondContact O-N 3.25Å; T443-M647 HydrophobicContact CG2-CE 4.45Å; T443-M647 HydrophobicContact CG2-SD 4.04Å; T443-V677 HydrophobicContact CG2-CG1 4.37Å; T443-V677 HydrophobicContact CG2-CG2 4.1Å
444	L	97.5	Very high	95	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-41.2	175.8	-71.5	164.4	0	0	0	111.8	M419 I423 L434 L440 L441 F442 R447 Q448 V677 L681	M419-L444 HydrophobicContact CE-CD2 3.58Å; I423-L444 HydrophobicContact CD1-CB 3.92Å; I423-L444 HydrophobicContact CG1-CB 4.02Å; I423-L444 HydrophobicContact CG1-CD1 4.41Å; L434-L444 HydrophobicContact CD1-CD1 4.22Å; L434-L444 HydrophobicContact CD2-CD1 3.55Å; L440-L444 HydrophobicContact CD1-CD1 4.28Å; L440-L444 HydrophobicContact CD1-CG 4.36Å; L440-L444 HydrophobicContact CG-CD1 4Å; L440-L444 WeakPolarHBondContact O-CB 3.23Å; L440-L444 WeakPolarHBondContact O-CG 3.46Å; L440-L444 PolarHBondContact O-N 2.97Å; L441-L444 PolarHBondContact O-N 2.9Å; F442-L444 VanDerWaalsContact C-N 3.33Å; F442-L444 PolarHBondContact O-N 3.44Å; L444-R447 PolarHBondContact O-N 3.31Å; L444-Q448 PolarHBondContact O-N 3.1Å; L444-V677 HydrophobicContact CD2-CG1 3.53Å; L444-V677 HydrophobicContact CG-CG1 4.28Å; L444-L681 HydrophobicContact CD1-CD1 4.32Å; L444-L681 HydrophobicContact CD1-CD2 4.32Å; L444-L681 HydrophobicContact CD2-CD2 3.98Å
445	K	97.5	Very high	94.6	Very high	56 Å²	56	34.4 Å²	34.4	24%	0.243	17%	0.171	C	C	.	.	H	α-helix	trans	-72.5	-35.1	177.6	-72.4	-71.4	180	-171.9	0	113.1	I423 L441 F442 T443 Q448 F449 F623 L627	I423-K445 HydrophobicContact CD1-CD 3.88Å; I423-K445 HydrophobicContact CD1-CG 4.22Å; L441-K445 HydrophobicContact CD1-CG 4.24Å; L441-K445 WeakPolarHBondContact O-CB 3.47Å; L441-K445 VanDerWaalsContact O-CG 3.31Å; L441-K445 WeakPolarHBondContact O-CG 3.42Å; L441-K445 PolarHBondContact O-N 3.22Å; F442-K445 CarbonylContact O-C 3.54Å; F442-K445 PolarHBondContact O-N 2.92Å; F442-K445 VanDerWaalsContact O-N 3.17Å; T443-K445 VanDerWaalsContact C-N 3.35Å; T443-K445 PolarHBondContact O-N 3.01Å; K445-Q448 PolarHBondContact O-N 2.9Å; K445-F449 PolarHBondContact O-N 3.04Å; K445-F623 HydrophobicContact CB-CZ 4.24Å; K445-F623 HydrophobicContact CD-CE1 4.47Å; K445-F623 HydrophobicContact CD-CE2 4.01Å; K445-F623 HydrophobicContact CD-CZ 3.49Å; K445-F623 VanDerWaalsContact CD-CZ 3.49Å; K445-F623 HydrophobicContact CG-CZ 4.49Å; K445-F623 VanDerWaalsContact O-CE1 3.27Å; K445-F623 WeakPolarHBondContact O-CE1 3.41Å; K445-L627 HydrophobicContact CB-CD1 3.82Å
446	V	97.1	Very high	94.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-40.4	169.7	-175.5	0	0	0	0	110.6	F442 T443 Q448 F449 I450 L627 M647 L648 A651	F442-V446 HydrophobicContact CD1-CG2 4.19Å; F442-V446 HydrophobicContact CE1-CG2 3.75Å; F442-V446 HydrophobicContact CE2-CG2 4.15Å; F442-V446 HydrophobicContact CZ-CG2 3.74Å; F442-V446 WeakPolarHBondContact O-CG2 3.27Å; F442-V446 PolarHBondContact O-N 3.24Å; T443-V446 PolarHBondContact O-N 3.11Å; V446-Q448 PolarHBondContact O-N 3.47Å; V446-F449 WeakPolarHBondContact O-CB 3.48Å; V446-F449 PolarHBondContact O-N 3.06Å; V446-I450 HydrophobicContact CG1-CD1 4.23Å; V446-I450 WeakPolarHBondContact O-CG1 3.4Å; V446-I450 PolarHBondContact O-N 3.49Å; V446-I450 VanDerWaalsContact O-N 3.08Å; V446-L627 HydrophobicContact CB-CD2 4.44Å; V446-L627 HydrophobicContact CG2-CD1 3.86Å; V446-L627 HydrophobicContact CG2-CD2 4.05Å; V446-L627 HydrophobicContact CG2-CG 4.31Å; V446-M647 HydrophobicContact CB-CE 4.43Å; V446-M647 HydrophobicContact CB-CG 4.03Å; V446-M647 HydrophobicContact CB-SD 4.28Å; V446-M647 HydrophobicContact CG1-CG 3.75Å; V446-M647 HydrophobicContact CG2-CE 4.02Å; V446-M647 HydrophobicContact CG2-CG 4.15Å; V446-M647 HydrophobicContact CG2-SD 4.46Å; V446-L648 HydrophobicContact CG2-CD1 4.44Å; V446-A651 HydrophobicContact CG1-CB 3.48Å; V446-A651 VanDerWaalsContact CG1-CB 3.48Å
447	R	96.8	Very high	94.3	Very high	11 Å²	11	20.6 Å²	20.6	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-40.3	173.7	-172.4	69	-162.9	179.8	4.4	111.7	M419 T443 L444 F449 I450 E451 Q668 D670 V677	M419-R447 HydrophobicContact CE-CB 4.06Å; M419-R447 HydrophobicContact CE-CG 4.03Å; M419-R447 HydrophobicContact CG-CG 4.06Å; M419-R447 HydrophobicContact SD-CB 4.45Å; M419-R447 HydrophobicContact SD-CG 3.82Å; T443-R447 PolarHBondContact O-N 3.25Å; L444-R447 PolarHBondContact O-N 3.31Å; R447-F449 VanDerWaalsContact C-N 3.31Å; R447-F449 PolarHBondContact O-N 3.11Å; R447-I450 PolarHBondContact O-N 3.2Å; R447-I450 VanDerWaalsContact O-N 3.11Å; R447-E451 HydrophobicContact CG-CG 4.37Å; R447-E451 IonicContact CZ-OE1 2.63Å; R447-E451 IonicContact NE-OE1 3.72Å; R447-E451 PolarHBondContact NE-OE1 2.86Å; R447-E451 IonicContact NH2-OE1 3.38Å; R447-E451 PolarHBondContact NH2-OE1 3.39Å; R447-E451 WeakPolarHBondContact O-CG 3.31Å; R447-E451 PolarHBondContact O-N 3.43Å; R447-Q668 PolarHBondContact NH1-O 3.23Å; R447-Q668 PolarHBondContact NH2-O 2.83Å; R447-D670 PolarHBondContact NH2-O 3.25Å; R447-V677 HydrophobicContact CB-CG1 4.47Å; R447-V677 HydrophobicContact CB-CG2 4.37Å; R447-V677 HydrophobicContact CG-CG2 4.44Å
448	Q	97	Very high	93.9	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-55.8	-46	172.9	-174	172.5	12.8	0	0	111.3	M419 G420 L444 K445 V446 I450 E451 M452 D457 F623	M419-Q448 HydrophobicContact CB-CB 3.58Å; M419-Q448 HydrophobicContact CB-CG 3.92Å; M419-Q448 HydrophobicContact CG-CB 4.38Å; G420-Q448 VanDerWaalsContact CA-NE2 3.28Å; L444-Q448 PolarHBondContact O-N 3.1Å; K445-Q448 PolarHBondContact O-N 2.9Å; V446-Q448 PolarHBondContact O-N 3.47Å; Q448-I450 VanDerWaalsContact C-N 3.33Å; Q448-I450 PolarHBondContact O-N 2.79Å; Q448-E451 CarbonylContact O-C 3.57Å; Q448-E451 PolarHBondContact O-N 2.97Å; Q448-M452 HydrophobicContact CG-CG 4.45Å; Q448-M452 HydrophobicContact CG-SD 4.32Å; Q448-M452 VanDerWaalsContact O-CG 3.3Å; Q448-M452 WeakPolarHBondContact O-CG 3.46Å; Q448-M452 PolarHBondContact O-N 3.08Å; Q448-D457 WeakPolarHBondContact CG-OD1 3.47Å; Q448-D457 PolarHBondContact NE2-OD1 3.3Å; Q448-F623 HydrophobicContact CB-CE1 4.47Å; Q448-F623 HydrophobicContact CB-CE2 4.48Å; Q448-F623 HydrophobicContact CB-CZ 3.8Å; Q448-F623 VanDerWaalsContact CD-CE2 3.48Å; Q448-F623 HydrophobicContact CG-CE2 3.97Å; Q448-F623 HydrophobicContact CG-CZ 3.78Å; Q448-F623 VanDerWaalsContact OE1-CE2 3.32Å
449	F	96.5	Very high	93.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-40.2	175.4	178.8	-90.9	0	0	0	113.1	K445 V446 R447 M452 V453 M620 F623 L627 A651 F652 L655	K445-F449 PolarHBondContact O-N 3.04Å; V446-F449 WeakPolarHBondContact O-CB 3.48Å; V446-F449 PolarHBondContact O-N 3.06Å; R447-F449 VanDerWaalsContact C-N 3.31Å; R447-F449 PolarHBondContact O-N 3.11Å; F449-M452 WeakPolarHBondContact O-CB 3.16Å; F449-M452 PolarHBondContact O-N 3.42Å; F449-V453 HydrophobicContact CD1-CG2 4.24Å; F449-V453 HydrophobicContact CE1-CG2 3.78Å; F449-V453 HydrophobicContact CZ-CG2 4.11Å; F449-V453 WeakPolarHBondContact O-CG2 3.44Å; F449-V453 PolarHBondContact O-N 2.88Å; F449-M620 HydrophobicContact CD2-CG 4.2Å; F449-M620 HydrophobicContact CE2-CG 3.64Å; F449-M620 HydrophobicContact CZ-CG 4.17Å; F449-F623 HydrophobicContact CB-CD1 3.99Å; F449-F623 HydrophobicContact CB-CE1 3.86Å; F449-F623 HydrophobicContact CD2-CD1 4.04Å; F449-L627 HydrophobicContact CB-CD2 3.88Å; F449-L627 HydrophobicContact CG-CD2 4.2Å; F449-A651 HydrophobicContact CD1-CB 4.19Å; F449-F652 HydrophobicContact CD1-CD1 4.32Å; F449-F652 HydrophobicContact CD1-CE1 4.5Å; F449-F652 HydrophobicContact CD2-CE1 4.5Å; F449-F652 AromaticContact CE1-CD1 3.76Å; F449-F652 HydrophobicContact CE1-CD1 3.76Å; F449-F652 HydrophobicContact CE1-CE1 4.23Å; F449-F652 HydrophobicContact CE2-CD1 4.38Å; F449-F652 HydrophobicContact CE2-CE1 4.2Å; F449-F652 AromaticContact CZ-CD1 3.79Å; F449-F652 HydrophobicContact CZ-CD1 3.79Å; F449-F652 HydrophobicContact CZ-CE1 4.07Å; F449-L655 HydrophobicContact CZ-CD1 4.01Å; F449-L655 HydrophobicContact CZ-CD2 4.06Å; F449-L655 HydrophobicContact CZ-CG 4.09Å
450	I	95.3	Very high	92.8	Very high	9 Å²	9	17.6 Å²	17.6	5%	0.046	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-39.4	176.3	-65	164.4	0	0	0	111.3	V446 R447 Q448 M452 V453 N454 A651 L654 Q668 L669	V446-I450 HydrophobicContact CG1-CD1 4.23Å; V446-I450 WeakPolarHBondContact O-CG1 3.4Å; V446-I450 PolarHBondContact O-N 3.49Å; V446-I450 VanDerWaalsContact O-N 3.08Å; R447-I450 PolarHBondContact O-N 3.2Å; R447-I450 VanDerWaalsContact O-N 3.11Å; Q448-I450 VanDerWaalsContact C-N 3.33Å; Q448-I450 PolarHBondContact O-N 2.79Å; I450-M452 VanDerWaalsContact C-N 3.34Å; I450-V453 WeakPolarHBondContact O-CB 3.49Å; I450-V453 PolarHBondContact O-N 3.03Å; I450-N454 WeakPolarHBondContact O-CB 3.48Å; I450-N454 PolarHBondContact O-N 3.43Å; I450-A651 HydrophobicContact CD1-CB 4.02Å; I450-A651 HydrophobicContact CG1-CB 3.89Å; I450-L654 HydrophobicContact CG1-CD1 4.22Å; I450-L654 HydrophobicContact CG2-CD1 4.34Å; I450-Q668 HydrophobicContact CD1-CB 4.44Å; I450-Q668 HydrophobicContact CG2-CB 4.49Å; I450-L669 HydrophobicContact CG2-CD2 4.06Å
451	E	94.6	Very high	92	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-72	-26.5	174	-59.5	-64.7	168.7	0	0	112.2	G417 M419 R447 Q448 N454 G455 T456 D457 R674	G417-E451 WeakPolarHBondContact O-CB 3.19Å; M419-E451 HydrophobicContact CG-CB 4.33Å; M419-E451 HydrophobicContact CG-CG 3.76Å; R447-E451 HydrophobicContact CG-CG 4.37Å; R447-E451 IonicContact CZ-OE1 2.63Å; R447-E451 IonicContact NE-OE1 3.72Å; R447-E451 PolarHBondContact NE-OE1 2.86Å; R447-E451 IonicContact NH2-OE1 3.38Å; R447-E451 PolarHBondContact NH2-OE1 3.39Å; R447-E451 WeakPolarHBondContact O-CG 3.31Å; R447-E451 PolarHBondContact O-N 3.43Å; Q448-E451 CarbonylContact O-C 3.57Å; Q448-E451 PolarHBondContact O-N 2.97Å; E451-N454 CarbonylContact O-C 3.59Å; E451-N454 PolarHBondContact O-N 2.87Å; E451-G455 PolarHBondContact O-N 3.49Å; E451-G455 VanDerWaalsContact O-N 3.12Å; E451-T456 WeakPolarHBondContact CA-OG1 3.33Å; E451-T456 WeakPolarHBondContact CB-OG1 3.36Å; E451-T456 PolarHBondContact O-N 3.08Å; E451-T456 PolarHBondContact O-OG1 3.4Å; E451-T456 WeakPolarHBondContact OE2-CB 3.38Å; E451-T456 PolarHBondContact OE2-OG1 2.87Å; E451-D457 HydrophobicContact CB-CB 3.96Å; E451-D457 PolarHBondContact O-N 2.88Å; E451-R674 WeakPolarHBondContact OE1-CG 3.45Å; E451-R674 IonicContact OE1-CZ 2.7Å; E451-R674 IonicContact OE1-NE 2.81Å; E451-R674 PolarHBondContact OE1-NE 3.19Å; E451-R674 IonicContact OE1-NH2 3.52Å; E451-R674 PolarHBondContact OE1-NH2 3.35Å; E451-R674 IonicContact OE2-CZ 3.97Å; E451-R674 IonicContact OE2-NE 3.6Å; E451-R674 IonicContact OE2-NH2 3.22Å; E451-R674 PolarHBondContact OE2-NH2 3.45Å
452	M	94	Very high	90.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-46.6	168.9	-69.6	172.7	78.7	0	0	111.3	Q448 F449 I450 N454 G455 D457 E459 V460 C610 R619 M620 F623	Q448-M452 HydrophobicContact CG-CG 4.45Å; Q448-M452 HydrophobicContact CG-SD 4.32Å; Q448-M452 VanDerWaalsContact O-CG 3.3Å; Q448-M452 WeakPolarHBondContact O-CG 3.46Å; Q448-M452 PolarHBondContact O-N 3.08Å; F449-M452 WeakPolarHBondContact O-CB 3.16Å; F449-M452 PolarHBondContact O-N 3.42Å; I450-M452 VanDerWaalsContact C-N 3.34Å; M452-N454 PolarHBondContact O-N 3.48Å; M452-G455 PolarHBondContact O-N 2.98Å; M452-D457 HydrophobicContact CG-CB 3.89Å; M452-E459 HydrophobicContact CE-CB 3.89Å; M452-E459 HydrophobicContact CG-CB 4.48Å; M452-E459 HydrophobicContact SD-CB 4.37Å; M452-V460 HydrophobicContact CB-CG1 3.92Å; M452-V460 HydrophobicContact CB-CG2 4.28Å; M452-V460 HydrophobicContact CE-CG1 3.84Å; M452-V460 HydrophobicContact CG-CG1 4.05Å; M452-V460 HydrophobicContact CG-CG2 4.39Å; M452-C610 PolarHBondContact O-SG 2.95Å; M452-R619 HydrophobicContact CE-CB 4.34Å; M452-M620 HydrophobicContact CB-CG 4.49Å; M452-M620 HydrophobicContact CE-CB 4.28Å; M452-F623 HydrophobicContact CE-CB 3.9Å; M452-F623 HydrophobicContact CE-CD2 4.28Å; M452-F623 HydrophobicContact CE-CG 4.21Å; M452-F623 HydrophobicContact SD-CB 3.96Å; M452-F623 HydrophobicContact SD-CD1 4.08Å; M452-F623 HydrophobicContact SD-CD2 3.66Å; M452-F623 HydrophobicContact SD-CE1 4.5Å; M452-F623 HydrophobicContact SD-CE2 4.09Å; M452-F623 HydrophobicContact SD-CG 3.64Å; M452-F623 HydrophobicContact SD-CZ 4.48Å
453	V	91.9	Very high	89.6	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-52.9	-42.2	172.4	167.7	0	0	0	0	111.1	F449 I450 G455 L609 C610 M620 L654 L655 P660 L669	F449-V453 HydrophobicContact CD1-CG2 4.24Å; F449-V453 HydrophobicContact CE1-CG2 3.78Å; F449-V453 HydrophobicContact CZ-CG2 4.11Å; F449-V453 WeakPolarHBondContact O-CG2 3.44Å; F449-V453 PolarHBondContact O-N 2.88Å; I450-V453 WeakPolarHBondContact O-CB 3.49Å; I450-V453 PolarHBondContact O-N 3.03Å; V453-G455 VanDerWaalsContact C-N 3.3Å; V453-G455 PolarHBondContact O-N 2.91Å; V453-L609 HydrophobicContact CG1-CD2 4.02Å; V453-C610 PolarHBondContact O-N 3.47Å; V453-M620 HydrophobicContact CB-SD 4.32Å; V453-M620 HydrophobicContact CG2-CG 4.44Å; V453-M620 HydrophobicContact CG2-SD 3.51Å; V453-M620 VanDerWaalsContact CG2-SD 3.51Å; V453-L654 HydrophobicContact CG1-CB 4.25Å; V453-L654 HydrophobicContact CG1-CD1 4.34Å; V453-L655 HydrophobicContact CG2-CD2 4.24Å; V453-P660 HydrophobicContact CG1-CB 4.31Å; V453-P660 HydrophobicContact CG1-CG 4.26Å; V453-L669 HydrophobicContact CG1-CD2 3.98Å
454	N	88.9	Confident	87.7	Confident	37 Å²	37	29.4 Å²	29.4	20%	0.198	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.7	179.9	-158.9	18.2	0	0	0	114.3	I450 E451 M452 T456 W661 L669	I450-N454 WeakPolarHBondContact O-CB 3.48Å; I450-N454 PolarHBondContact O-N 3.43Å; E451-N454 CarbonylContact O-C 3.59Å; E451-N454 PolarHBondContact O-N 2.87Å; M452-N454 PolarHBondContact O-N 3.48Å; N454-T456 HydrophobicContact CB-CG2 4.41Å; N454-T456 PolarHBondContact O-N 3.21Å; N454-W661 WeakPolarHBondContact OD1-CZ2 3.24Å; N454-L669 HydrophobicContact CB-CD2 3.99Å
455	G	88.1	Confident	85.3	Confident	24 Å²	24	32.6 Å²	32.6	25%	0.247	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	9.7	-176.3	0	0	0	0	0	115.1	E451 M452 V453	E451-G455 PolarHBondContact O-N 3.49Å; E451-G455 VanDerWaalsContact O-N 3.12Å; M452-G455 PolarHBondContact O-N 2.98Å; V453-G455 VanDerWaalsContact C-N 3.3Å; V453-G455 PolarHBondContact O-N 2.91Å
456	T	87.2	Confident	82.5	Confident	35 Å²	35	40 Å²	40	22%	0.215	23%	0.232	C	C	.	.			trans	-91.7	-26.3	-173.6	41.8	0	0	0	0	113.6	E451 N454 R461	E451-T456 WeakPolarHBondContact CA-OG1 3.33Å; E451-T456 WeakPolarHBondContact CB-OG1 3.36Å; E451-T456 PolarHBondContact O-N 3.08Å; E451-T456 PolarHBondContact O-OG1 3.4Å; E451-T456 WeakPolarHBondContact OE2-CB 3.38Å; E451-T456 PolarHBondContact OE2-OG1 2.87Å; N454-T456 HydrophobicContact CB-CG2 4.41Å; N454-T456 PolarHBondContact O-N 3.21Å; T456-R461 PolarHBondContact O-NH2 2.91Å
457	D	91.4	Very high	79.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-76.6	152.8	178.4	-165.8	-113	0	0	0	113	M419 G420 Q448 E451 M452 E459 V460 R461	M419-D457 PolarHBondContact N-OD2 3.13Å; G420-D457 PolarHBondContact N-OD2 2.93Å; Q448-D457 WeakPolarHBondContact CG-OD1 3.47Å; Q448-D457 PolarHBondContact NE2-OD1 3.3Å; E451-D457 HydrophobicContact CB-CB 3.96Å; E451-D457 PolarHBondContact O-N 2.88Å; M452-D457 HydrophobicContact CG-CB 3.89Å; D457-E459 PolarHBondContact O-N 2.86Å; D457-V460 VanDerWaalsContact O-CG2 3.22Å; D457-V460 WeakPolarHBondContact O-CG2 3.35Å; D457-V460 PolarHBondContact O-N 3.23Å; D457-R461 WeakPolarHBondContact O-CB 3.41Å; D457-R461 PolarHBondContact O-N 2.69Å
458	S	85.8	Confident	76.4	Confident	28 Å²	28	50 Å²	50	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-33	-174.6	46.9	0	0	0	0	114.2	E421 V460	E421-S458 WeakPolarHBondContact OE1-CB 3.42Å; S458-V460 PolarHBondContact O-N 3.01Å
459	E	81.5	Confident	73.4	Confident	65 Å²	65	58.9 Å²	58.9	30%	0.304	34%	0.338	S	S	.	.	H	α-helix	trans	-55.4	-29.9	175.6	-86.3	-83.8	176	0	0	113.5	M452 D457 R619	M452-E459 HydrophobicContact CE-CB 3.89Å; M452-E459 HydrophobicContact CG-CB 4.48Å; M452-E459 HydrophobicContact SD-CB 4.37Å; D457-E459 PolarHBondContact O-N 2.86Å; E459-R619 IonicContact OE1-NH2 3.45Å; E459-R619 PolarHBondContact OE1-NH2 3.01Å; E459-R619 IonicContact OE2-CZ 3.56Å; E459-R619 IonicContact OE2-NE 2.73Å; E459-R619 PolarHBondContact OE2-NE 3.03Å; E459-R619 IonicContact OE2-NH2 3.53Å; E459-R619 PolarHBondContact OE2-NH2 3.06Å
460	V	83.2	Confident	70.8	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.018	38%	0.376	C	S	.	.	H	α-helix	trans	-108.2	-34.4	-178.8	-67.8	0	0	0	0	113.1	M452 D457 S458 C462 L463 G464 A616	M452-V460 HydrophobicContact CB-CG1 3.92Å; M452-V460 HydrophobicContact CB-CG2 4.28Å; M452-V460 HydrophobicContact CE-CG1 3.84Å; M452-V460 HydrophobicContact CG-CG1 4.05Å; M452-V460 HydrophobicContact CG-CG2 4.39Å; D457-V460 VanDerWaalsContact O-CG2 3.22Å; D457-V460 WeakPolarHBondContact O-CG2 3.35Å; D457-V460 PolarHBondContact O-N 3.23Å; S458-V460 PolarHBondContact O-N 3.01Å; V460-C462 VanDerWaalsContact C-N 3.3Å; V460-C462 PolarHBondContact O-N 3.44Å; V460-L463 WeakPolarHBondContact O-CA 3.14Å; V460-L463 WeakPolarHBondContact O-CB 3.4Å; V460-L463 PolarHBondContact O-N 2.63Å; V460-G464 PolarHBondContact O-N 3.04Å; V460-A616 HydrophobicContact CB-CB 3.86Å; V460-A616 HydrophobicContact CG1-CB 3.9Å
461	R	77.8	Confident	67.9	Low	111 Å²	111	73.3 Å²	73.3	42%	0.419	42%	0.418	S	S	.	.	H	α-helix	trans	-57.8	-42.4	-175.6	-167.9	-163.6	-56.9	134.5	4.4	112.1	E421 T456 D457 L463 G464	E421-R461 IonicContact OE1-NH1 2.68Å; T456-R461 PolarHBondContact O-NH2 2.91Å; D457-R461 WeakPolarHBondContact O-CB 3.41Å; D457-R461 PolarHBondContact O-N 2.69Å; R461-L463 PolarHBondContact O-N 2.95Å; R461-G464 PolarHBondContact O-N 3.42Å
462	C	71.1	Confident	65.2	Low	111 Å²	111	81.1 Å²	81.1	75%	0.75	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.2	179.5	-62.4	0	0	0	0	113.7	V460	V460-C462 VanDerWaalsContact C-N 3.3Å; V460-C462 PolarHBondContact O-N 3.44Å
463	L	71.3	Confident	62.6	Low	67 Å²	67	85 Å²	85	35%	0.351	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.6	174.9	-55.5	176.7	0	0	0	112	V460 R461 G465 S613 A615 A616 R619	V460-L463 WeakPolarHBondContact O-CA 3.14Å; V460-L463 WeakPolarHBondContact O-CB 3.4Å; V460-L463 PolarHBondContact O-N 2.63Å; R461-L463 PolarHBondContact O-N 2.95Å; L463-G465 VanDerWaalsContact C-N 3.3Å; L463-G465 PolarHBondContact O-N 3.42Å; L463-S613 WeakPolarHBondContact O-CB 2.93Å; L463-S613 PolarHBondContact O-OG 3.47Å; L463-A615 HydrophobicContact CB-CB 4.33Å; L463-A615 HydrophobicContact CD1-CB 4.17Å; L463-A616 HydrophobicContact CB-CB 4.17Å; L463-R619 HydrophobicContact CD1-CB 4.45Å; L463-R619 HydrophobicContact CD1-CG 3.65Å
464	G	56.8	Low	60	Low	53 Å²	53	95.1 Å²	95.1	55%	0.546	53%	0.527	S	S	.	.	S	Bend	trans	-83.4	45	179.6	0	0	0	0	0	115.3	V460 R461	V460-G464 PolarHBondContact O-N 3.04Å; R461-G464 PolarHBondContact O-N 3.42Å
465	G	46.6	Very low	57.5	Low	67 Å²	67	99.3 Å²	99.3	69%	0.691	56%	0.556	S	S	*	*			trans	53	83.7	157.4	0	0	0	0	0	119.8	L463	L463-G465 VanDerWaalsContact C-N 3.3Å; L463-G465 PolarHBondContact O-N 3.42Å
466	R	39.5	Very low	55.1	Low	213 Å²	213	105.1 Å²	105.1	80%	0.804	59%	0.586	S	S	*	*			trans	-115.2	145.8	136.9	-80.2	-167.2	174.1	-166	0.4	109.4
467	S	33.7	Very low	52.8	Low	93 Å²	93	108.7 Å²	108.7	65%	0.65	61%	0.613	S	S	*	*			trans	-78	132.5	-164.6	-174.6	0	0	0	0	113.1	K469	S467-K469 PolarHBondContact O-N 3.21Å; S467-K469 VanDerWaalsContact O-N 3.1Å
468	P	32.5	Very low	50.1	Low	127 Å²	127	114.3 Å²	114.3	83%	0.825	65%	0.649	S	S	*	*			trans	-75.2	97.5	171.5	30.3	-33.1	0	0	0	110.4
469	K	33.9	Very low	47.9	Very low	191 Å²	191	124.6 Å²	124.6	83%	0.83	68%	0.683	S	S	*	*			trans	-123.6	65.6	175.9	-84.2	-165.9	174	-176	0	113.4	S467	S467-K469 PolarHBondContact O-N 3.21Å; S467-K469 VanDerWaalsContact O-N 3.1Å
470	S	42.9	Very low	45.8	Very low	114 Å²	114	126.7 Å²	126.7	80%	0.797	70%	0.702	S	S	*	*			trans	-156.9	78.4	156.3	53.3	0	0	0	0	109.1	D472	S470-D472 PolarHBondContact O-N 3.48Å
471	Q	33.5	Very low	43.4	Very low	198 Å²	198	135.8 Å²	135.8	93%	0.925	74%	0.742	S	S	*	*			trans	-71.6	114.8	157.3	-77.2	-174.8	-58.9	0	0	107.2
472	D	38	Very low	41.4	Very low	163 Å²	163	135.7 Å²	135.7	87%	0.872	76%	0.758	S	S	*	*			trans	-143.5	156.9	147.8	-120.1	-40.8	0	0	0	110.2	S470	S470-D472 PolarHBondContact O-N 3.48Å
473	S	38.5	Very low	39.8	Very low	82 Å²	82	135.8 Å²	135.8	57%	0.573	76%	0.761	S	S	*	*			trans	-93.8	150.8	-155.5	-61.9	0	0	0	0	114.7
474	Y	37.6	Very low	38.3	Very low	216 Å²	216	138.8 Å²	138.8	85%	0.847	78%	0.784	S	S	*	*				157.4	131.1	109.6	-77.9	-59.6	0	0	0	112
475	P	37	Very low	37.3	Very low	125 Å²	125	140.6 Å²	140.6	81%	0.812	79%	0.788	S	S	*	*			trans	-99.9	125.3	-179.5	35.3	-30.4	0	0	0	113.4
476	V	38.3	Very low	37	Very low	146 Å²	146	145.6 Å²	145.6	89%	0.885	80%	0.796	S	S	*	*			trans	-138.4	142.6	167.7	-177.2	0	0	0	0	111.2
477	S	38.7	Very low	36.9	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	79%	0.793	S	S	*	*			trans	-69	157.7	-169.5	-56.5	0	0	0	0	116.2
478	P	35.2	Very low	37.3	Very low	117 Å²	117	142.6 Å²	142.6	76%	0.76	80%	0.804	S	S	*	*			trans	-83.9	152.4	-178.2	34.1	-37.1	0	0	0	114.5
479	R	38	Very low	37.4	Very low	245 Å²	245	141.7 Å²	141.7	93%	0.925	80%	0.801	S	S	*	*			trans	-163.1	159.9	149.5	-105.2	154.4	-158	-95	0.3	111.1
480	P	37.4	Very low	37.7	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	81%	0.807	S	S	*	*			trans	-115.8	-175.5	-165.9	34.1	-17.2	0	0	0	115
481	F	34	Very low	37.4	Very low	194 Å²	194	140 Å²	140	85%	0.851	80%	0.801	S	S	*	*			trans	98.7	140.9	165.1	-86	-84.7	0	0	0	121.1
482	S	35.5	Very low	37.8	Very low	109 Å²	109	139 Å²	139	76%	0.762	80%	0.798	S	S	*	*			trans	83.7	114.9	155.2	-58.9	0	0	0	0	120.3
483	S	37	Very low	37.7	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	79%	0.792	S	S	*	*			trans	-68.4	168.3	159.2	-41.2	0	0	0	0	111.7
484	P	40.7	Very low	37.6	Very low	130 Å²	130	140.1 Å²	140.1	84%	0.844	80%	0.796	S	S	*	*				-144.2	171.3	100.7	38.6	-24.7	0	0	0	115.4
485	S	35.2	Very low	37.7	Very low	91 Å²	91	137.6 Å²	137.6	64%	0.636	79%	0.792	S	S	*	*			trans	-87.8	150	169.8	169.1	0	0	0	0	111.6
486	M	40.9	Very low	37.7	Very low	171 Å²	171	138 Å²	138	84%	0.842	79%	0.787	S	S	*	*			trans	-165.5	153.6	136.8	-93.4	-45.5	105.5	0	0	110.9
487	S	37.5	Very low	37.7	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	78%	0.784	S	S	*	*			trans	-124.2	159.2	171.1	-50.4	0	0	0	0	110.8
488	P	40.4	Very low	37.6	Very low	136 Å²	136	138.1 Å²	138.1	88%	0.883	79%	0.787	S	S	*	*			trans	-138.3	169.9	141.6	33.5	-17.7	0	0	0	113.9
489	S	36.5	Very low	37.6	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	80%	0.795	S	S	*	*			trans	-135.5	143.5	-163.5	52.5	0	0	0	0	115.6
490	H	39.6	Very low	37.6	Very low	205 Å²	205	131 Å²	131	95%	0.949	79%	0.791	S	S	*	*			trans	-165.4	161.1	164.2	-83.9	-63.6	0	0	0	109.7
491	G	36.6	Very low	37.4	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	80%	0.803	S	S	*	*			cis	166.8	101.5	-11.5	0	0	0	0	0	116.5
492	M	40.9	Very low	37.6	Very low	175 Å²	175	131 Å²	131	86%	0.862	80%	0.802	S	S	*	*			trans	76.8	153.9	154.5	-70.2	-64.9	-173.8	0	0	123.4
493	N	35.9	Very low	37.7	Very low	140 Å²	140	130.5 Å²	130.5	75%	0.749	80%	0.799	S	S	*	*			trans	70.7	131.2	169.4	-62.1	-20.7	0	0	0	119
494	I	36.3	Very low	37.7	Very low	130 Å²	130	131.3 Å²	131.3	67%	0.667	80%	0.799	S	S	*	*			cis	112.2	141.9	10.7	-65.5	171.4	0	0	0	114.3
495	H	40.7	Very low	37.5	Very low	162 Å²	162	129.2 Å²	129.2	75%	0.75	79%	0.792	S	S	*	*			trans	90.2	143.7	-176.8	-63.1	-68.6	0	0	0	116
496	N	37.2	Very low	37.6	Very low	134 Å²	134	133.2 Å²	133.2	72%	0.717	80%	0.801	S	S	*	*			cis	-152.4	178.3	-3.5	-129.1	6.9	0	0	0	114.3
497	L	36.9	Very low	37.4	Very low	158 Å²	158	134.8 Å²	134.8	83%	0.827	80%	0.803	S	S	*	*			trans	-73.5	155.2	-177.7	-68.2	61.2	0	0	0	115
498	A	38.4	Very low	37.3	Very low	100 Å²	100	134.6 Å²	134.6	83%	0.826	80%	0.802	S	S	*	*				-175.1	165.4	125.6	0	0	0	0	0	112.5
499	S	33.9	Very low	37.2	Very low	133 Å²	133	131.5 Å²	131.5	93%	0.93	79%	0.794	S	S	*	*			trans	-129.7	154.5	179.8	-53	0	0	0	0	112.8
500	G	38.2	Very low	37.2	Very low	81 Å²	81	135.4 Å²	135.4	84%	0.835	80%	0.798	S	S	*	*			trans	-154.6	155.4	173.5	0	0	0	0	0	112.4
501	K	34.1	Very low	37	Very low	221 Å²	221	132.7 Å²	132.7	96%	0.961	79%	0.786	S	S	*	*			trans	-132	151.5	-176.7	-84.8	-172.3	174.9	-177.5	0	112.4
502	G	37.2	Very low	37	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	78%	0.78	S	S	*	*			trans	116	152.9	163.5	0	0	0	0	0	114
503	S	37.9	Very low	36.6	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	78%	0.775	S	S	*	*			cis	-166.2	148.5	-12.4	-172.8	0	0	0	0	110.3
504	T	35.9	Very low	36.5	Very low	130 Å²	130	128.4 Å²	128.4	80%	0.798	77%	0.772	S	S	*	*			trans	42.7	131.3	151.9	48	0	0	0	0	120.2
505	A	38.4	Very low	36.5	Very low	86 Å²	86	130.3 Å²	130.3	71%	0.711	78%	0.784	S	S	*	*				-175	150.5	69	0	0	0	0	0	116
506	H	36.9	Very low	36.2	Very low	176 Å²	176	126 Å²	126	82%	0.815	78%	0.783	S	S	*	*			trans	30.4	123.8	148	-67.8	-90	0	0	0	124.1
507	F	37	Very low	36.2	Very low	204 Å²	204	125.6 Å²	125.6	90%	0.895	79%	0.785	S	S	*	*				-155.1	168.2	103.6	-140.5	-98	0	0	0	111.4
508	S	34.7	Very low	36.2	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	79%	0.785	S	S	*	*			trans	-158.1	144.1	-166.6	55.8	0	0	0	0	117.4
509	G	37.1	Very low	35.9	Very low	70 Å²	70	126 Å²	126	72%	0.722	78%	0.781	S	S	*	*			trans	-179.9	127.6	163.9	0	0	0	0	0	109.2
510	F	36.6	Very low	36	Very low	191 Å²	191	127.5 Å²	127.5	84%	0.838	78%	0.779	S	S	*	*				82.3	124.2	68.8	177.7	-85.5	0	0	0	112.3
511	E	36.2	Very low	35.9	Very low	149 Å²	149	132.8 Å²	132.8	70%	0.696	78%	0.779	S	S	*	*			cis	-173.6	174.6	-17.1	-125	-166.1	-77.2	0	0	108.3
512	S	36.5	Very low	35.8	Very low	77 Å²	77	126.3 Å²	126.3	54%	0.538	77%	0.766	S	S	.	*			cis	-163.5	159.4	-7.1	-151.7	0	0	0	0	111.3
513	C	33.5	Very low	35.6	Very low	115 Å²	115	131.8 Å²	131.8	78%	0.777	77%	0.77	S	S	*	*			trans	57.9	171.1	158.4	-64.5	0	0	0	0	121.6
514	S	33.3	Very low	35.3	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	78%	0.775	S	S	*	*				177.6	154.6	-65.1	-88.6	0	0	0	0	112.3
515	N	37	Very low	35.1	Very low	170 Å²	170	134.9 Å²	134.9	91%	0.909	78%	0.778	S	S	*	*			trans	74.6	147.3	175.9	-43.3	-44.6	0	0	0	115.2
516	G	34.1	Very low	34.6	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	79%	0.785	S	S	*	*			cis	-176	-176	-5	0	0	0	0	0	107.9
517	V	37	Very low	34.2	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	78%	0.781	S	S	*	*			cis	-166.9	140.7	24.7	164.2	0	0	0	0	110.3
518	I	37.1	Very low	34	Very low	161 Å²	161	137.2 Å²	137.2	83%	0.826	78%	0.78	S	S	*	*			trans	68.4	149.1	160.5	-72.5	165.1	0	0	0	120.2
519	S	30.6	Very low	33.6	Very low	105 Å²	105	138 Å²	138	73%	0.734	79%	0.786	S	S	*	*			trans	-130.7	156.6	179.2	171.1	0	0	0	0	109.7
520	N	37.8	Very low	33.3	Very low	165 Å²	165	142.6 Å²	142.6	88%	0.882	79%	0.794	S	S	*	*			trans	-132.7	154.8	167.9	-124.1	-21.8	0	0	0	111.4
521	K	34.7	Very low	33	Very low	192 Å²	192	142 Å²	142	84%	0.835	79%	0.791	S	S	*	*			trans	-134.1	128.4	-144.5	-160.7	179.7	-171.8	179.2	0	114.7
522	A	32.2	Very low	32.8	Very low	84 Å²	84	142.4 Å²	142.4	69%	0.694	79%	0.793	S	S	*	*			trans	53.9	130	153.1	0	0	0	0	0	120.7
523	H	33.8	Very low	32.6	Very low	194 Å²	194	146.5 Å²	146.5	90%	0.898	80%	0.803	S	S	*	*				-146.6	136.3	120.9	-116.6	-77.9	0	0	0	110.7
524	Q	30.9	Very low	32.1	Very low	171 Å²	171	146.6 Å²	146.6	80%	0.799	81%	0.805	S	S	*	*			trans	-108.5	147.2	167.8	-75.7	-177.1	-13	0	0	109.5
525	S	32.7	Very low	31.9	Very low	125 Å²	125	147 Å²	147	87%	0.874	81%	0.808	S	S	*	*			trans	-142.1	113.9	162.2	46.7	0	0	0	0	110
526	Y	26.1	Very low	31.3	Very low	216 Å²	216	146.8 Å²	146.8	85%	0.847	81%	0.807	S	S	*	*			trans	-94.8	128	176.4	-111.2	-95.1	0	0	0	109.8
527	C	29.8	Very low	31	Very low	109 Å²	109	151.1 Å²	151.1	74%	0.736	81%	0.812	S	S	*	*			trans	-160.5	108.3	149.4	52.8	0	0	0	0	115.2
528	H	32.2	Very low	30.5	Very low	189 Å²	189	152.6 Å²	152.6	88%	0.875	82%	0.816	S	S	*	*			trans	62.6	125.4	136	-67	85.2	0	0	0	121.9
529	S	26.6	Very low	30.2	Very low	120 Å²	120	151.8 Å²	151.8	84%	0.839	82%	0.818	S	S	*	*			trans	-77.1	158.4	175.1	-34.5	0	0	0	0	113
530	N	31.1	Very low	30.1	Very low	166 Å²	166	151.7 Å²	151.7	89%	0.888	82%	0.815	S	S	*	*			trans	-143.9	150.3	148.7	-144.7	-7.2	0	0	0	111.1
531	K	30	Very low	29.4	Very low	179 Å²	179	150.6 Å²	150.6	78%	0.778	81%	0.805	S	S	*	*			trans	-93.3	147.6	179.2	-66.4	174.7	177.6	176.6	0	110
532	H	33	Very low	29.2	Very low	158 Å²	158	149.5 Å²	149.5	73%	0.731	81%	0.807	S	S	*	*				172.3	148.8	114.3	-102.3	-95.4	0	0	0	113.8
533	Q	30.6	Very low	28.8	Very low	162 Å²	162	150.3 Å²	150.3	76%	0.757	80%	0.8	S	S	*	*			trans	53.6	95.9	150	-75.1	162.1	-20.1	0	0	121
534	S	24.3	Very low	28.3	Very low	118 Å²	118	145.9 Å²	145.9	83%	0.825	79%	0.791	S	S	*	*			trans	-0.6	122.6	131.4	56.1	0	0	0	0	119.5
535	S	29.3	Very low	28.4	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	80%	0.797	S	S	*	*			trans	-150.7	144	150.6	58.6	0	0	0	0	110.4
536	N	23.7	Very low	28.1	Very low	165 Å²	165	146.5 Å²	146.5	88%	0.882	79%	0.787	S	S	*	*			trans	-72.6	135.1	-177.8	-54.3	-44.9	0	0	0	111.8
537	L	28.6	Very low	28.3	Very low	162 Å²	162	142.3 Å²	142.3	85%	0.848	78%	0.777	S	S	*	*			trans	-142.5	140.3	165.4	-76	178.4	0	0	0	111.6
538	N	25.2	Very low	28.4	Very low	157 Å²	157	142.7 Å²	142.7	84%	0.84	78%	0.781	S	S	*	*			trans	-64.9	149.4	166.5	-72.7	-20.9	0	0	0	110.4	P540	N538-P540 WeakPolarHBondContact O-CD 3.29Å
539	V	31	Very low	28.3	Very low	144 Å²	144	143.5 Å²	143.5	87%	0.873	78%	0.776	S	S	*	*			trans	-93.5	113.6	159.4	-178.8	0	0	0	0	107.7
540	P	28.3	Very low	28.6	Very low	103 Å²	103	143.6 Å²	143.6	67%	0.669	78%	0.777	S	S	*	*			trans	-84.7	162	-178.3	34.2	-35.3	0	0	0	113	N538	N538-P540 WeakPolarHBondContact O-CD 3.29Å
541	E	24	Very low	28.4	Very low	143 Å²	143	142.6 Å²	142.6	67%	0.668	77%	0.767	S	S	*	*			trans	-55.4	135.8	169.4	-171.1	179	168.5	0	0	112.1
542	L	30.5	Very low	28.5	Very low	168 Å²	168	143.8 Å²	143.8	88%	0.88	78%	0.775	S	S	*	*			trans	-123	107.3	176.6	-92.2	171.5	0	0	0	111
543	N	23.4	Very low	28.2	Very low	102 Å²	102	141.4 Å²	141.4	55%	0.545	77%	0.772	S	S	.	*			trans	-127	149.7	170.3	-109.1	-40.1	0	0	0	109.1
544	S	23.9	Very low	28.2	Very low	101 Å²	101	141.1 Å²	141.1	71%	0.706	78%	0.775	S	S	*	*			trans	67.1	97.7	164.8	-53.6	0	0	0	0	119.4
545	I	32.4	Very low	28.2	Very low	183 Å²	183	142.1 Å²	142.1	94%	0.938	77%	0.771	S	S	*	*			trans	-128.6	150.9	143.5	-60	-176.6	0	0	0	107.8
546	N	25.8	Very low	28.3	Very low	125 Å²	125	146.8 Å²	146.8	67%	0.668	78%	0.779	S	S	*	*			trans	-139.3	154.8	-155.6	-165.7	10.8	0	0	0	113.3
547	M	30.7	Very low	28.3	Very low	129 Å²	129	145.4 Å²	145.4	64%	0.635	78%	0.776	S	S	*	*			trans	60.4	124.8	167.6	-62.2	-67.5	152.8	0	0	120.1	P73	P73-M547 HydrophobicContact CG-CE 4.02Å
548	S	31.8	Very low	28.4	Very low	116 Å²	116	143 Å²	143	81%	0.811	77%	0.774	S	S	*	*				167.5	87.8	107.5	-72.4	0	0	0	0	115.9
549	R	30.4	Very low	28.5	Very low	206 Å²	206	142.3 Å²	142.3	78%	0.777	77%	0.77	S	S	*	*			trans	-3.6	127.7	149.6	-179.4	-171.2	-172.3	179.1	4.3	119.4
550	S	32.3	Very low	28.5	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	76%	0.764	S	S	*	*			trans	-149.7	151.7	134.3	65.3	0	0	0	0	110.7
551	Q	26.7	Very low	28.9	Very low	146 Å²	146	143.2 Å²	143.2	68%	0.682	77%	0.768	S	S	*	*			trans	-120.3	140.2	-173.5	-63.7	166.3	-93.1	0	0	110.5
552	Q	32.8	Very low	29.1	Very low	203 Å²	203	144.3 Å²	144.3	95%	0.949	78%	0.779	S	S	*	*			trans	-151.6	153.4	146.6	-117.4	169.1	8.6	0	0	110.8
553	V	26.9	Very low	29.4	Very low	109 Å²	109	145.2 Å²	145.2	66%	0.661	78%	0.781	S	S	*	*			trans	-125.2	143.4	-165	-178	0	0	0	0	109.3
554	N	29.9	Very low	29.6	Very low	155 Å²	155	149.4 Å²	149.4	83%	0.829	80%	0.797	S	S	*	*			trans	-151.6	128.6	153.5	-97.6	-33.2	0	0	0	110.1
555	N	25.7	Very low	30	Very low	139 Å²	139	151.1 Å²	151.1	74%	0.743	80%	0.804	S	S	*	*			trans	-85.1	140.4	174.3	-69.8	-11.6	0	0	0	110.1
556	F	29.6	Very low	29.9	Very low	204 Å²	204	149.7 Å²	149.7	90%	0.895	80%	0.798	S	S	*	*			trans	-133	126.3	152.6	-88.1	-80.6	0	0	0	109.8
557	T	23.8	Very low	30	Very low	136 Å²	136	152.8 Å²	152.8	83%	0.834	81%	0.808	S	S	*	*			trans	-102.9	131.9	174.1	49.6	0	0	0	0	109.4
558	S	30.9	Very low	29.9	Very low	113 Å²	113	157.4 Å²	157.4	79%	0.79	82%	0.82	S	S	*	*			trans	-137.4	146.2	158.2	-169.7	0	0	0	0	109
559	N	27.3	Very low	29.7	Very low	141 Å²	141	157.3 Å²	157.3	75%	0.754	82%	0.819	S	S	*	*			trans	-75.6	164.7	166.8	-35.5	-53.8	0	0	0	108.5
560	D	32.4	Very low	29.7	Very low	141 Å²	141	154.7 Å²	154.7	75%	0.754	82%	0.821	S	S	*	*				-171.7	168.1	97.3	-122	-54.4	0	0	0	114.5
561	V	35.6	Very low	29.4	Very low	126 Å²	126	152.6 Å²	152.6	76%	0.764	82%	0.818	S	S	*	*			trans	50.3	117.7	163.7	-63.5	0	0	0	0	121.8
562	D	28.5	Very low	29.6	Very low	165 Å²	165	152.3 Å²	152.3	88%	0.882	83%	0.826	S	S	*	*			trans	-67.7	154.4	151.9	-66.9	-75.2	0	0	0	111.8
563	M	36.3	Very low	29.3	Very low	188 Å²	188	145.4 Å²	145.4	93%	0.926	81%	0.809	S	S	*	*			trans	-147.4	121.3	158.7	-145.8	174.7	-163.6	0	0	110.6
564	E	28.9	Very low	29.4	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	82%	0.818	S	S	*	*			trans	-71.4	154.1	179.2	-63.2	175.1	120.2	0	0	111.4
565	T	32.4	Very low	29.2	Very low	138 Å²	138	147.9 Å²	147.9	85%	0.847	82%	0.818	S	S	*	*			trans	-148.4	116	168.5	-64.3	0	0	0	0	109.5
566	D	29.3	Very low	29.4	Very low	153 Å²	153	147 Å²	147	82%	0.818	82%	0.823	S	S	*	*			trans	-66.2	149.8	-177.8	-82	-63.9	0	0	0	113.6	Y568	D566-Y568 PolarHBondContact O-N 3.14Å
567	H	28.2	Very low	29.5	Very low	189 Å²	189	142.3 Å²	142.3	88%	0.875	82%	0.815	S	S	*	*			trans	-69	126.9	171.7	-74.9	-69.5	0	0	0	112
568	Y	28.8	Very low	29.9	Very low	226 Å²	226	142.9 Å²	142.9	89%	0.886	81%	0.813	S	S	*	*			trans	-124.9	123.5	149	-100.3	-87.7	0	0	0	110.9	D566	D566-Y568 PolarHBondContact O-N 3.14Å
569	S	26.7	Very low	30	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	81%	0.808	S	S	*	*			trans	-84.6	130.4	174.5	-177.7	0	0	0	0	109.8
570	N	30.1	Very low	30.7	Very low	152 Å²	152	139.8 Å²	139.8	81%	0.813	80%	0.798	S	S	*	*			trans	-132.7	121.6	166.3	-99.4	-26.5	0	0	0	108.9
571	G	26.1	Very low	30.8	Very low	77 Å²	77	141.3 Å²	141.3	79%	0.794	81%	0.805	S	S	*	*			trans	-80.1	128.7	170.1	0	0	0	0	0	110
572	V	30.6	Very low	30.8	Very low	140 Å²	140	138.9 Å²	138.9	85%	0.848	79%	0.788	S	S	*	*			trans	-102.4	111.7	177.3	-176.3	0	0	0	0	109.5
573	G	26.6	Very low	31	Very low	58 Å²	58	134.3 Å²	134.3	60%	0.598	78%	0.779	S	S	*	*			trans	-96.4	168.3	156.1	0	0	0	0	0	110.5
574	E	29.6	Very low	30.9	Very low	179 Å²	179	130.7 Å²	130.7	84%	0.836	77%	0.773	S	S	*	*	S	Bend	trans	66.3	92.2	159.7	-54.9	-171.2	169.5	0	0	117.5
575	T	26.3	Very low	31.3	Very low	138 Å²	138	127.2 Å²	127.2	85%	0.847	77%	0.769	S	S	*	*			trans	40.5	93.6	133.6	55.2	0	0	0	0	118.3
576	S	28.8	Very low	31.4	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	77%	0.771	S	S	*	*			trans	-100.2	110	159.4	-68.3	0	0	0	0	110.6
577	S	32.7	Very low	31.7	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	77%	0.77	S	S	*	*			trans	-98.9	115.6	170.8	47.7	0	0	0	0	110.1	G579	S577-G579 PolarHBondContact O-N 2.99Å
578	N	31.3	Very low	31.8	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	76%	0.763	S	S	*	*			trans	-73.9	90.4	-177.1	-82.5	-18.1	0	0	0	111.6	F580	N578-F580 PolarHBondContact O-N 3.33Å
579	G	32.8	Very low	32.3	Very low	65 Å²	65	126.6 Å²	126.6	67%	0.67	76%	0.761	S	S	*	*			trans	-65.4	125.2	179.1	0	0	0	0	0	113.6	S577 L581	S577-G579 PolarHBondContact O-N 2.99Å; G579-L581 PolarHBondContact O-N 3.38Å
580	F	42.7	Very low	32.5	Very low	123 Å²	123	130 Å²	130	54%	0.539	76%	0.764	S	S	.	*			trans	-74	81	-176.3	-62.4	-72.4	0	0	0	114.3	Y382 N578 N582	Y382-F580 AromaticContact CE1-CD1 3.83Å; Y382-F580 HydrophobicContact CE1-CD1 3.83Å; Y382-F580 AromaticContact CE1-CE1 3.96Å; Y382-F580 HydrophobicContact CE1-CE1 3.96Å; Y382-F580 AromaticContact CZ-CE1 3.74Å; Y382-F580 WeakPolarHBondContact OH-CE1 3.34Å; Y382-F580 WeakPolarHBondContact OH-CZ 3.35Å; N578-F580 PolarHBondContact O-N 3.33Å; F580-N582 PolarHBondContact O-N 2.73Å
581	L	34.6	Very low	32.9	Very low	173 Å²	173	131.6 Å²	131.6	91%	0.906	77%	0.769	S	S	*	*			trans	-89	92.1	167	-75.9	171.6	0	0	0	111.4	G579	G579-L581 PolarHBondContact O-N 3.38Å
582	N	36.4	Very low	33.2	Very low	76 Å²	76	137.7 Å²	137.7	41%	0.406	78%	0.777	S	S	.	*			trans	-87.2	113.6	171.4	-172.2	13.3	0	0	0	110.9	F580 S584	F580-N582 PolarHBondContact O-N 2.73Å; N582-S584 PolarHBondContact O-N 3.33Å
583	G	31.1	Very low	33.5	Very low	68 Å²	68	138.6 Å²	138.6	70%	0.701	78%	0.776	S	S	*	*			trans	-63.9	113.8	-176.5	0	0	0	0	0	112.7
584	S	35.8	Very low	33.8	Very low	113 Å²	113	140.8 Å²	140.8	79%	0.79	78%	0.781	S	S	*	*			trans	-93	112.9	178	-58.1	0	0	0	0	110.5	N582	N582-S584 PolarHBondContact O-N 3.33Å
585	S	35.8	Very low	33.9	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	78%	0.783	S	S	*	*			trans	-68.5	141.3	170.2	53	0	0	0	0	110.7	H587	S585-H587 PolarHBondContact O-N 3.06Å
586	K	34.9	Very low	34.4	Very low	205 Å²	205	136.9 Å²	136.9	89%	0.891	76%	0.764	S	S	*	*			trans	-58.7	130.6	-174.3	-61.4	-176.5	178.4	-173.4	0	112.9
587	H	35	Very low	34.6	Very low	173 Å²	173	140.1 Å²	140.1	80%	0.801	77%	0.766	S	S	*	*			trans	-147	134.4	147	-163	-61.7	0	0	0	108.1	S585	S585-H587 PolarHBondContact O-N 3.06Å
588	D	31.9	Very low	35	Very low	136 Å²	136	142.2 Å²	142.2	73%	0.727	77%	0.766	S	S	*	*			trans	-73.3	137.1	-173.1	-49.1	-80.6	0	0	0	112.2
589	H	37.8	Very low	35.1	Very low	180 Å²	180	144.4 Å²	144.4	83%	0.833	77%	0.771	S	S	*	*			trans	-163	139.7	141.2	-108	-62.8	0	0	0	109.5
590	E	30.9	Very low	35.2	Very low	185 Å²	185	147.3 Å²	147.3	86%	0.864	78%	0.776	S	S	*	*			trans	-78.5	129.1	-169.1	-60.7	142.9	130.5	0	0	112.6
591	M	39	Very low	34.8	Very low	186 Å²	186	147 Å²	147	92%	0.916	78%	0.78	S	S	*	*			trans	-141.6	134.2	143	-79.5	-146	-61.6	0	0	108.3
592	E	31.9	Very low	35.3	Very low	205 Å²	205	142.8 Å²	142.8	96%	0.958	77%	0.765	S	S	*	*			trans	-71.2	127.1	174.1	-61.5	169.9	112.6	0	0	109.6
593	D	36.9	Very low	35.9	Very low	158 Å²	158	143.1 Å²	143.1	85%	0.845	77%	0.773	S	S	*	*			trans	-125.1	141.8	154.6	-154	-12.8	0	0	0	107.7	D595	D593-D595 PolarHBondContact O-N 2.96Å
594	C	33.4	Very low	36.7	Very low	104 Å²	104	146 Å²	146	70%	0.703	77%	0.768	S	S	*	*			trans	-103.2	83.6	-159.8	-169.7	0	0	0	0	111.2	T596	C594-T596 PolarHBondContact O-N 3.48Å
595	D	31.5	Very low	37.4	Very low	161 Å²	161	145.8 Å²	145.8	86%	0.861	76%	0.758	S	S	*	*			trans	-60	107.1	169.1	-78.4	-42.3	0	0	0	110	D593	D593-D595 PolarHBondContact O-N 2.96Å
596	T	37.1	Very low	38.2	Very low	75 Å²	75	150.3 Å²	150.3	46%	0.46	76%	0.757	S	S	.	*			trans	-124.2	88.1	168.1	-57.9	0	0	0	0	108.4	C594 M598	C594-T596 PolarHBondContact O-N 3.48Å; T596-M598 HydrophobicContact CG2-CG 4.48Å; T596-M598 PolarHBondContact O-N 2.79Å
597	E	33.4	Very low	39.6	Very low	187 Å²	187	146.7 Å²	146.7	87%	0.874	74%	0.738	S	S	*	*			trans	-61.7	121.7	170	-63.3	-171.8	134.3	0	0	110
598	M	40.7	Very low	41.2	Very low	150 Å²	150	143.8 Å²	143.8	74%	0.739	73%	0.725	S	S	*	*			trans	-139	90.1	161.7	-76.7	-168.9	176.2	0	0	108.2	T596 V600	T596-M598 HydrophobicContact CG2-CG 4.48Å; T596-M598 PolarHBondContact O-N 2.79Å; M598-V600 PolarHBondContact O-N 3.36Å
599	E	33.4	Very low	43.3	Very low	194 Å²	194	139.1 Å²	139.1	91%	0.907	70%	0.7	S	S	*	*			trans	-61.4	125	159.7	-66.8	-165	116	0	0	109.3
600	V	34.2	Very low	45.1	Very low	127 Å²	127	130.8 Å²	130.8	77%	0.77	66%	0.662	S	S	*	*	S	Bend	trans	172.6	134.3	141.7	149.3	0	0	0	0	108.5	M598 S602	M598-V600 PolarHBondContact O-N 3.36Å; V600-S602 PolarHBondContact O-N 3.09Å; V600-S602 VanDerWaalsContact O-N 3.12Å
601	D	35.3	Very low	46.9	Very low	115 Å²	115	123.8 Å²	123.8	62%	0.615	64%	0.639	S	S	*	*	S	Bend	trans	57.7	19	165.7	-136.4	8.9	0	0	0	120.3	S603	D601-S603 VanDerWaalsContact C-N 3.27Å; D601-S603 PolarHBondContact O-N 2.64Å
602	S	45.2	Very low	48.6	Very low	85 Å²	85	116.6 Å²	116.6	59%	0.594	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-3.5	-179.4	-69.1	0	0	0	0	116.1	V600	V600-S602 PolarHBondContact O-N 3.09Å; V600-S602 VanDerWaalsContact O-N 3.12Å
603	S	48.4	Very low	50.9	Low	83 Å²	83	108.2 Å²	108.2	58%	0.58	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-20.8	-171.1	64.8	0	0	0	0	114.6	D601	D601-S603 VanDerWaalsContact C-N 3.27Å; D601-S603 PolarHBondContact O-N 2.64Å
604	Q	47.9	Very low	53.3	Low	128 Å²	128	107.3 Å²	107.3	60%	0.598	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-39	179.6	-59	-167.9	35.3	0	0	112.7	R606 R607	Q604-R606 VanDerWaalsContact C-N 3.29Å; Q604-R606 PolarHBondContact O-N 3.3Å; Q604-R607 PolarHBondContact O-N 3.37Å; Q604-R607 VanDerWaalsContact O-N 3.14Å
605	L	50	Low	56	Low	110 Å²	110	104.5 Å²	104.5	58%	0.576	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-62.1	-34.9	179.6	-87.7	75.3	0	0	0	112.5	R607 Q608	L605-R607 PolarHBondContact O-N 3.02Å; L605-Q608 PolarHBondContact O-N 2.84Å
606	R	54.1	Low	58.7	Low	210 Å²	210	96.9 Å²	96.9	79%	0.792	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-62.8	-8.6	176.3	-90.5	-170.5	174.6	-179	1.5	115.3	Q604	Q604-R606 VanDerWaalsContact C-N 3.29Å; Q604-R606 PolarHBondContact O-N 3.3Å
607	R	63.2	Low	61.2	Low	129 Å²	129	95.7 Å²	95.7	49%	0.487	50%	0.501	S	S	.	.	G	3₁₀ helix	trans	-97.4	-11.8	179	-63.6	176.7	177.7	-95.7	-0.3	113.9	Q604 L605 D659 P660	Q604-R607 PolarHBondContact O-N 3.37Å; Q604-R607 VanDerWaalsContact O-N 3.14Å; L605-R607 PolarHBondContact O-N 3.02Å; R607-D659 IonicContact NH1-OD2 3.49Å; R607-D659 PolarHBondContact NH1-OD2 2.83Å; R607-P660 WeakPolarHBondContact O-CD 3.38Å
608	Q	68.5	Low	63.9	Low	111 Å²	111	92 Å²	92	52%	0.519	48%	0.484	S	S	.	.	S	Bend	trans	-90.8	143.9	-179.3	-61.9	-173	5.7	0	0	111.3	L605 C610 G611	L605-Q608 PolarHBondContact O-N 2.84Å; Q608-C610 PolarHBondContact O-N 2.84Å; Q608-G611 PolarHBondContact O-N 3.33Å
609	L	76.8	Confident	66.4	Low	38 Å²	38	89.3 Å²	89.3	20%	0.199	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-48.6	121.7	174.1	-71.9	167.2	0	0	0	110.9	V453 G611 G612 L655 P660	V453-L609 HydrophobicContact CG1-CD2 4.02Å; L609-G611 PolarHBondContact O-N 2.86Å; L609-G611 VanDerWaalsContact O-N 3.11Å; L609-G612 PolarHBondContact O-N 3.44Å; L609-L655 HydrophobicContact CD2-CD2 4.15Å; L609-P660 HydrophobicContact CD2-CG 3.54Å; L609-P660 HydrophobicContact CG-CG 4.09Å
610	C	74.4	Confident	69.2	Low	6 Å²	6	80.2 Å²	80.2	4%	0.041	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	52.4	27.9	-177.4	-55.7	0	0	0	0	114.6	M452 V453 Q608 G612 A616 I617 M620	M452-C610 PolarHBondContact O-SG 2.95Å; V453-C610 PolarHBondContact O-N 3.47Å; Q608-C610 PolarHBondContact O-N 2.84Å; C610-G612 PolarHBondContact O-N 3.15Å; C610-A616 HydrophobicContact CB-CB 3.61Å; C610-I617 HydrophobicContact CB-CG1 3.99Å; C610-M620 PolarHBondContact SG-SD 3.17Å
611	G	70.6	Confident	72	Confident	37 Å²	37	77.8 Å²	77.8	38%	0.381	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	65.8	18.2	-174.7	0	0	0	0	0	114.7	Q608 L609 S613	Q608-G611 PolarHBondContact O-N 3.33Å; L609-G611 PolarHBondContact O-N 2.86Å; L609-G611 VanDerWaalsContact O-N 3.11Å; G611-S613 VanDerWaalsContact C-N 3.35Å; G611-S613 PolarHBondContact O-N 3.18Å
612	G	72.9	Confident	74.8	Confident	36 Å²	36	76.3 Å²	76.3	37%	0.371	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	82.5	0.3	178	0	0	0	0	0	115.6	L609 C610 Q614	L609-G612 PolarHBondContact O-N 3.44Å; C610-G612 PolarHBondContact O-N 3.15Å; G612-Q614 PolarHBondContact O-N 2.93Å
613	S	82	Confident	77.2	Confident	28 Å²	28	73 Å²	73	20%	0.196	37%	0.369	C	S	.	.			trans	-73.6	116.6	177.6	176.5	0	0	0	0	111.7	L463 G611 A615 A616 I617	L463-S613 WeakPolarHBondContact O-CB 2.93Å; L463-S613 PolarHBondContact O-OG 3.47Å; G611-S613 VanDerWaalsContact C-N 3.35Å; G611-S613 PolarHBondContact O-N 3.18Å; S613-A615 VanDerWaalsContact C-N 3.29Å; S613-A615 PolarHBondContact O-N 2.9Å; S613-A616 WeakPolarHBondContact O-CB 3.26Å; S613-A616 PolarHBondContact O-N 3.3Å; S613-A616 VanDerWaalsContact O-N 3.09Å; S613-I617 WeakPolarHBondContact O-CG1 3.39Å; S613-I617 PolarHBondContact O-N 3.19Å
614	Q	86	Confident	79.5	Confident	140 Å²	140	69.5 Å²	69.5	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-54.8	-43.9	178	-179.2	-176.7	-26.7	0	0	112.1	G612 A616 I617 E618	G612-Q614 PolarHBondContact O-N 2.93Å; Q614-A616 VanDerWaalsContact C-N 3.31Å; Q614-A616 PolarHBondContact O-N 3Å; Q614-I617 PolarHBondContact O-N 2.82Å; Q614-E618 HydrophobicContact CG-CG 4.5Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.15Å; Q614-E618 PolarHBondContact NE2-OE1 3.11Å; Q614-E618 WeakPolarHBondContact O-CG 3.43Å; Q614-E618 PolarHBondContact O-N 3.14Å
615	A	89.7	Confident	81.8	Confident	45 Å²	45	72 Å²	72	37%	0.372	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-36.7	179.2	0	0	0	0	0	112.2	L463 S613 E618 R619	L463-A615 HydrophobicContact CB-CB 4.33Å; L463-A615 HydrophobicContact CD1-CB 4.17Å; S613-A615 VanDerWaalsContact C-N 3.29Å; S613-A615 PolarHBondContact O-N 2.9Å; A615-E618 PolarHBondContact O-N 2.85Å; A615-R619 WeakPolarHBondContact O-CG 3.47Å; A615-R619 PolarHBondContact O-N 2.82Å
616	A	89.1	Confident	84	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-68.5	-40.8	174.4	0	0	0	0	0	112	V460 L463 C610 S613 Q614 E618 R619 M620	V460-A616 HydrophobicContact CB-CB 3.86Å; V460-A616 HydrophobicContact CG1-CB 3.9Å; L463-A616 HydrophobicContact CB-CB 4.17Å; C610-A616 HydrophobicContact CB-CB 3.61Å; S613-A616 WeakPolarHBondContact O-CB 3.26Å; S613-A616 PolarHBondContact O-N 3.3Å; S613-A616 VanDerWaalsContact O-N 3.09Å; Q614-A616 VanDerWaalsContact C-N 3.31Å; Q614-A616 PolarHBondContact O-N 3Å; A616-E618 VanDerWaalsContact C-N 3.35Å; A616-E618 PolarHBondContact O-N 3.09Å; A616-R619 PolarHBondContact O-N 3.3Å; A616-M620 WeakPolarHBondContact O-CB 3.2Å; A616-M620 PolarHBondContact O-N 2.68Å
617	I	88.6	Confident	86	Confident	50 Å²	50	61.8 Å²	61.8	26%	0.256	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-41.3	174.7	-65.2	170.4	0	0	0	110.8	C610 S613 Q614 M620 I621	C610-I617 HydrophobicContact CB-CG1 3.99Å; S613-I617 WeakPolarHBondContact O-CG1 3.39Å; S613-I617 PolarHBondContact O-N 3.19Å; Q614-I617 PolarHBondContact O-N 2.82Å; I617-M620 HydrophobicContact CG2-CE 4.17Å; I617-M620 PolarHBondContact O-N 2.94Å; I617-I621 HydrophobicContact CG2-CD1 3.81Å; I617-I621 HydrophobicContact CG2-CG1 4.5Å; I617-I621 WeakPolarHBondContact O-CB 3.32Å; I617-I621 VanDerWaalsContact O-CG1 3.26Å; I617-I621 WeakPolarHBondContact O-CG1 3.23Å; I617-I621 PolarHBondContact O-N 3.36Å
618	E	91.5	Very high	87.5	Confident	109 Å²	109	59 Å²	59	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-42.7	175.6	-74.5	174.9	-164.3	0	0	112.3	Q614 A615 A616 I621 H622	Q614-E618 HydrophobicContact CG-CG 4.5Å; Q614-E618 WeakPolarHBondContact CG-OE1 3.15Å; Q614-E618 PolarHBondContact NE2-OE1 3.11Å; Q614-E618 WeakPolarHBondContact O-CG 3.43Å; Q614-E618 PolarHBondContact O-N 3.14Å; A615-E618 PolarHBondContact O-N 2.85Å; A616-E618 VanDerWaalsContact C-N 3.35Å; A616-E618 PolarHBondContact O-N 3.09Å; E618-I621 PolarHBondContact O-N 2.89Å; E618-H622 PolarHBondContact O-N 2.95Å
619	R	92.5	Very high	88.8	Confident	95 Å²	95	56.4 Å²	56.4	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-62.9	-43.8	172.3	-72.4	-63	-65.6	164.2	-3.9	112.2	M452 E459 L463 A615 A616 I621 H622 F623	M452-R619 HydrophobicContact CE-CB 4.34Å; E459-R619 IonicContact OE1-NH2 3.45Å; E459-R619 PolarHBondContact OE1-NH2 3.01Å; E459-R619 IonicContact OE2-CZ 3.56Å; E459-R619 IonicContact OE2-NE 2.73Å; E459-R619 PolarHBondContact OE2-NE 3.03Å; E459-R619 IonicContact OE2-NH2 3.53Å; E459-R619 PolarHBondContact OE2-NH2 3.06Å; L463-R619 HydrophobicContact CD1-CB 4.45Å; L463-R619 HydrophobicContact CD1-CG 3.65Å; A615-R619 WeakPolarHBondContact O-CG 3.47Å; A615-R619 PolarHBondContact O-N 2.82Å; A616-R619 PolarHBondContact O-N 3.3Å; R619-I621 VanDerWaalsContact C-N 3.34Å; R619-I621 PolarHBondContact O-N 2.66Å; R619-H622 WeakPolarHBondContact O-CB 3.43Å; R619-H622 PolarHBondContact O-N 3.05Å; R619-F623 WeakPolarHBondContact O-CB 3.43Å; R619-F623 PolarHBondContact O-N 3Å
620	M	92.7	Very high	89.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-59.6	-42.6	175	178.2	-167.6	65.4	0	0	111.9	F449 M452 V453 C610 A616 I617 F623 G624 L655	F449-M620 HydrophobicContact CD2-CG 4.2Å; F449-M620 HydrophobicContact CE2-CG 3.64Å; F449-M620 HydrophobicContact CZ-CG 4.17Å; M452-M620 HydrophobicContact CB-CG 4.49Å; M452-M620 HydrophobicContact CE-CB 4.28Å; V453-M620 HydrophobicContact CB-SD 4.32Å; V453-M620 HydrophobicContact CG2-CG 4.44Å; V453-M620 HydrophobicContact CG2-SD 3.51Å; V453-M620 VanDerWaalsContact CG2-SD 3.51Å; C610-M620 PolarHBondContact SG-SD 3.17Å; A616-M620 WeakPolarHBondContact O-CB 3.2Å; A616-M620 PolarHBondContact O-N 2.68Å; I617-M620 HydrophobicContact CG2-CE 4.17Å; I617-M620 PolarHBondContact O-N 2.94Å; M620-F623 PolarHBondContact O-N 2.86Å; M620-G624 PolarHBondContact O-N 3.3Å; M620-L655 HydrophobicContact CE-CD2 3.48Å; M620-L655 VanDerWaalsContact CE-CD2 3.48Å; M620-L655 HydrophobicContact SD-CD2 3.75Å
621	I	92.6	Very high	90.6	Very high	75 Å²	75	57.4 Å²	57.4	39%	0.385	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-37.6	176.5	-70.1	166.5	0	0	0	111.4	I617 E618 R619 R625	I617-I621 HydrophobicContact CG2-CD1 3.81Å; I617-I621 HydrophobicContact CG2-CG1 4.5Å; I617-I621 WeakPolarHBondContact O-CB 3.32Å; I617-I621 VanDerWaalsContact O-CG1 3.26Å; I617-I621 WeakPolarHBondContact O-CG1 3.23Å; I617-I621 PolarHBondContact O-N 3.36Å; E618-I621 PolarHBondContact O-N 2.89Å; R619-I621 VanDerWaalsContact C-N 3.34Å; R619-I621 PolarHBondContact O-N 2.66Å; I621-R625 WeakPolarHBondContact O-CG 3.47Å; I621-R625 PolarHBondContact O-N 2.9Å
622	H	94.8	Very high	91.7	Very high	85 Å²	85	58.5 Å²	58.5	39%	0.394	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-52.8	173	-170.1	-78.3	0	0	0	111.1	E618 R619 G624 R625 E626	E618-H622 PolarHBondContact O-N 2.95Å; R619-H622 WeakPolarHBondContact O-CB 3.43Å; R619-H622 PolarHBondContact O-N 3.05Å; H622-G624 VanDerWaalsContact C-N 3.28Å; H622-G624 PolarHBondContact O-N 3.29Å; H622-R625 WeakPolarHBondContact O-CB 3.32Å; H622-R625 PolarHBondContact O-N 2.94Å; H622-E626 IonicContact CE1-OE1 2.76Å; H622-E626 PolarHBondContact CE1-OE1 3.49Å; H622-E626 IonicContact CE1-OE2 3.97Å; H622-E626 PolarHBondContact CE1-OE2 3Å; H622-E626 IonicContact ND1-OE1 3.3Å; H622-E626 IonicContact ND1-OE2 3.84Å; H622-E626 PolarHBondContact ND1-OE2 3.41Å; H622-E626 PolarHBondContact O-N 3.1Å; H622-E626 VanDerWaalsContact O-N 3.17Å
623	F	96.1	Very high	92.7	Very high	15 Å²	15	60.6 Å²	60.6	7%	0.066	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-39.9	178.7	-169.4	-75.1	0	0	0	112.1	K445 Q448 F449 M452 R619 M620 R625 E626 L627	K445-F623 HydrophobicContact CB-CZ 4.24Å; K445-F623 HydrophobicContact CD-CE1 4.47Å; K445-F623 HydrophobicContact CD-CE2 4.01Å; K445-F623 HydrophobicContact CD-CZ 3.49Å; K445-F623 VanDerWaalsContact CD-CZ 3.49Å; K445-F623 HydrophobicContact CG-CZ 4.49Å; K445-F623 VanDerWaalsContact O-CE1 3.27Å; K445-F623 WeakPolarHBondContact O-CE1 3.41Å; Q448-F623 HydrophobicContact CB-CE1 4.47Å; Q448-F623 HydrophobicContact CB-CE2 4.48Å; Q448-F623 HydrophobicContact CB-CZ 3.8Å; Q448-F623 VanDerWaalsContact CD-CE2 3.48Å; Q448-F623 HydrophobicContact CG-CE2 3.97Å; Q448-F623 HydrophobicContact CG-CZ 3.78Å; Q448-F623 VanDerWaalsContact OE1-CE2 3.32Å; F449-F623 HydrophobicContact CB-CD1 3.99Å; F449-F623 HydrophobicContact CB-CE1 3.86Å; F449-F623 HydrophobicContact CD2-CD1 4.04Å; M452-F623 HydrophobicContact CE-CB 3.9Å; M452-F623 HydrophobicContact CE-CD2 4.28Å; M452-F623 HydrophobicContact CE-CG 4.21Å; M452-F623 HydrophobicContact SD-CB 3.96Å; M452-F623 HydrophobicContact SD-CD1 4.08Å; M452-F623 HydrophobicContact SD-CD2 3.66Å; M452-F623 HydrophobicContact SD-CE1 4.5Å; M452-F623 HydrophobicContact SD-CE2 4.09Å; M452-F623 HydrophobicContact SD-CG 3.64Å; M452-F623 HydrophobicContact SD-CZ 4.48Å; R619-F623 WeakPolarHBondContact O-CB 3.43Å; R619-F623 PolarHBondContact O-N 3Å; M620-F623 PolarHBondContact O-N 2.86Å; F623-R625 VanDerWaalsContact C-N 3.26Å; F623-R625 PolarHBondContact O-N 3.34Å; F623-E626 WeakPolarHBondContact CA-OE2 3.46Å; F623-E626 PolarHBondContact O-N 3.49Å; F623-L627 HydrophobicContact CD1-CB 4.43Å; F623-L627 HydrophobicContact CE1-CB 4.46Å; F623-L627 HydrophobicContact CE1-CD2 4.39Å; F623-L627 VanDerWaalsContact O-CB 3.29Å; F623-L627 WeakPolarHBondContact O-CB 3.29Å; F623-L627 PolarHBondContact O-N 3.47Å
624	G	95.9	Very high	93.2	Very high	10 Å²	10	60 Å²	60	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-34.2	174.3	0	0	0	0	0	113.5	M620 H622 Q628 F652	M620-G624 PolarHBondContact O-N 3.3Å; H622-G624 VanDerWaalsContact C-N 3.28Å; H622-G624 PolarHBondContact O-N 3.29Å; G624-Q628 WeakPolarHBondContact O-CB 3.46Å; G624-Q628 PolarHBondContact O-N 3.38Å; G624-F652 WeakPolarHBondContact O-CZ 3.5Å
625	R	96.2	Very high	93.5	Very high	180 Å²	180	60 Å²	60	68%	0.679	29%	0.288	S	S	*	.	H	α-helix	trans	-72.5	-40.5	175.1	-64.9	169.5	-179.4	179.1	1.3	111.9	I621 H622 F623 L627 Q628 A629	I621-R625 WeakPolarHBondContact O-CG 3.47Å; I621-R625 PolarHBondContact O-N 2.9Å; H622-R625 WeakPolarHBondContact O-CB 3.32Å; H622-R625 PolarHBondContact O-N 2.94Å; F623-R625 VanDerWaalsContact C-N 3.26Å; F623-R625 PolarHBondContact O-N 3.34Å; R625-L627 VanDerWaalsContact C-N 3.34Å; R625-Q628 PolarHBondContact O-N 3.4Å; R625-A629 PolarHBondContact O-N 3.28Å
626	E	96.3	Very high	93.6	Very high	102 Å²	102	64.6 Å²	64.6	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.1	-65.6	170.6	119.8	0	0	111	H622 F623 A629 M630	H622-E626 IonicContact CE1-OE1 2.76Å; H622-E626 PolarHBondContact CE1-OE1 3.49Å; H622-E626 IonicContact CE1-OE2 3.97Å; H622-E626 PolarHBondContact CE1-OE2 3Å; H622-E626 IonicContact ND1-OE1 3.3Å; H622-E626 IonicContact ND1-OE2 3.84Å; H622-E626 PolarHBondContact ND1-OE2 3.41Å; H622-E626 PolarHBondContact O-N 3.1Å; H622-E626 VanDerWaalsContact O-N 3.17Å; F623-E626 WeakPolarHBondContact CA-OE2 3.46Å; F623-E626 PolarHBondContact O-N 3.49Å; E626-A629 PolarHBondContact O-N 3.01Å; E626-M630 WeakPolarHBondContact O-CB 3.21Å; E626-M630 PolarHBondContact O-N 3.22Å
627	L	95.6	Very high	93.7	Very high	4 Å²	4	69.8 Å²	69.8	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-40	176.4	-173.3	64.3	0	0	0	112.6	F442 K445 V446 F449 F623 R625 M630 S631 L648 F652	F442-L627 HydrophobicContact CD2-CD1 3.95Å; F442-L627 HydrophobicContact CE2-CD1 3.71Å; F442-L627 HydrophobicContact CE2-CG 4.28Å; K445-L627 HydrophobicContact CB-CD1 3.82Å; V446-L627 HydrophobicContact CB-CD2 4.44Å; V446-L627 HydrophobicContact CG2-CD1 3.86Å; V446-L627 HydrophobicContact CG2-CD2 4.05Å; V446-L627 HydrophobicContact CG2-CG 4.31Å; F449-L627 HydrophobicContact CB-CD2 3.88Å; F449-L627 HydrophobicContact CG-CD2 4.2Å; F623-L627 HydrophobicContact CD1-CB 4.43Å; F623-L627 HydrophobicContact CE1-CB 4.46Å; F623-L627 HydrophobicContact CE1-CD2 4.39Å; F623-L627 VanDerWaalsContact O-CB 3.29Å; F623-L627 WeakPolarHBondContact O-CB 3.29Å; F623-L627 PolarHBondContact O-N 3.47Å; R625-L627 VanDerWaalsContact C-N 3.34Å; L627-M630 PolarHBondContact O-N 3.02Å; L627-S631 PolarHBondContact O-N 3.01Å; L627-L648 HydrophobicContact CD2-CD1 3.75Å; L627-L648 HydrophobicContact CG-CD1 3.68Å; L627-F652 HydrophobicContact CD2-CE1 4.06Å; L627-F652 HydrophobicContact CD2-CZ 4.39Å
628	Q	95.6	Very high	93.6	Very high	71 Å²	71	71.1 Å²	71.1	33%	0.332	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-47	171	172.2	62.3	29	0	0	111.2	G624 R625 M630 S631 E632 F652	G624-Q628 WeakPolarHBondContact O-CB 3.46Å; G624-Q628 PolarHBondContact O-N 3.38Å; R625-Q628 PolarHBondContact O-N 3.4Å; Q628-M630 VanDerWaalsContact C-N 3.33Å; Q628-M630 PolarHBondContact O-N 3.12Å; Q628-S631 PolarHBondContact O-N 3.05Å; Q628-E632 PolarHBondContact NE2-OE1 3.14Å; Q628-E632 PolarHBondContact O-N 3.26Å; Q628-F652 HydrophobicContact CB-CE2 4.41Å; Q628-F652 HydrophobicContact CB-CZ 4.43Å
629	A	95.9	Very high	93.5	Very high	55 Å²	55	67.4 Å²	67.4	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-41.2	177.5	0	0	0	0	0	111.9	R625 E626 E632 Q633	R625-A629 PolarHBondContact O-N 3.28Å; E626-A629 PolarHBondContact O-N 3.01Å; A629-E632 PolarHBondContact O-N 3.38Å; A629-Q633 PolarHBondContact O-N 3.3Å
630	M	94.6	Very high	93.1	Very high	45 Å²	45	72.5 Å²	72.5	22%	0.222	35%	0.352	C	S	.	.	H	α-helix	trans	-62.5	-42.9	174	-168.4	-172.9	-178.8	0	0	112	L441 F442 E626 L627 Q628 E632 Q633 L634	L441-M630 HydrophobicContact CB-CE 4.06Å; L441-M630 HydrophobicContact CD2-CE 3.84Å; L441-M630 HydrophobicContact CG-CE 3.77Å; F442-M630 HydrophobicContact CB-CE 3.93Å; F442-M630 HydrophobicContact CB-SD 4.19Å; F442-M630 HydrophobicContact CD2-CB 4.42Å; F442-M630 HydrophobicContact CD2-CG 4.13Å; F442-M630 HydrophobicContact CD2-SD 3.89Å; E626-M630 WeakPolarHBondContact O-CB 3.21Å; E626-M630 PolarHBondContact O-N 3.22Å; L627-M630 PolarHBondContact O-N 3.02Å; Q628-M630 VanDerWaalsContact C-N 3.33Å; Q628-M630 PolarHBondContact O-N 3.12Å; M630-E632 VanDerWaalsContact C-N 3.29Å; M630-E632 PolarHBondContact O-N 3.16Å; M630-Q633 PolarHBondContact O-N 3.36Å; M630-L634 HydrophobicContact CE-CD1 4.4Å; M630-L634 PolarHBondContact O-N 3Å
631	S	93.9	Very high	92.9	Very high	21 Å²	21	75.4 Å²	75.4	15%	0.147	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-34.9	175.7	-175.3	0	0	0	0	112.6	L627 Q628 R635	L627-S631 PolarHBondContact O-N 3.01Å; Q628-S631 PolarHBondContact O-N 3.05Å; S631-R635 WeakPolarHBondContact O-CB 3.48Å; S631-R635 PolarHBondContact O-N 2.96Å
632	E	93.7	Very high	92.8	Very high	59 Å²	59	77.3 Å²	77.3	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-72.5	-35.7	175.1	-71.6	-173.9	-163.8	0	0	112.4	Q628 A629 M630 R635 R636	Q628-E632 PolarHBondContact NE2-OE1 3.14Å; Q628-E632 PolarHBondContact O-N 3.26Å; A629-E632 PolarHBondContact O-N 3.38Å; M630-E632 VanDerWaalsContact C-N 3.29Å; M630-E632 PolarHBondContact O-N 3.16Å; E632-R635 WeakPolarHBondContact O-CB 3.46Å; E632-R635 PolarHBondContact O-N 2.85Å; E632-R636 WeakPolarHBondContact O-CG 3.36Å; E632-R636 PolarHBondContact O-N 3.35Å; E632-R636 VanDerWaalsContact O-N 3.08Å; E632-R636 IonicContact OE2-NH2 2.84Å; E632-R636 PolarHBondContact OE2-NH2 2.92Å
633	Q	93.4	Very high	92.6	Very high	81 Å²	81	76.2 Å²	76.2	38%	0.379	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-48.6	177.6	-169.7	56	28.3	0	0	111.1	A629 M630 R635 R636 D637	A629-Q633 PolarHBondContact O-N 3.3Å; M630-Q633 PolarHBondContact O-N 3.36Å; Q633-R635 PolarHBondContact O-N 3.01Å; Q633-R635 VanDerWaalsContact O-N 3.13Å; Q633-R636 WeakPolarHBondContact O-CA 3.43Å; Q633-R636 WeakPolarHBondContact O-CB 3.23Å; Q633-R636 PolarHBondContact O-N 2.89Å; Q633-D637 WeakPolarHBondContact CG-OD2 3.44Å; Q633-D637 PolarHBondContact NE2-OD1 2.88Å; Q633-D637 PolarHBondContact NE2-OD2 2.89Å; Q633-D637 VanDerWaalsContact O-CG 3.32Å; Q633-D637 PolarHBondContact O-N 3.35Å
634	L	92.6	Very high	92.3	Very high	14 Å²	14	76.1 Å²	76.1	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-54.1	-33.3	169.9	-87.4	167.3	0	0	0	113.1	P438 F442 M630 C638	P438-L634 HydrophobicContact CB-CD2 3.98Å; P438-L634 HydrophobicContact CG-CD2 4.12Å; F442-L634 HydrophobicContact CB-CD1 3.49Å; F442-L634 VanDerWaalsContact CB-CD1 3.49Å; F442-L634 HydrophobicContact CD1-CD1 4.37Å; F442-L634 HydrophobicContact CD2-CD1 3.99Å; F442-L634 HydrophobicContact CG-CD1 3.69Å; M630-L634 HydrophobicContact CE-CD1 4.4Å; M630-L634 PolarHBondContact O-N 3Å; L634-C638 WeakPolarHBondContact O-CA 3.24Å; L634-C638 WeakPolarHBondContact O-CB 3.19Å; L634-C638 PolarHBondContact O-N 2.81Å
635	R	92.5	Very high	92.2	Very high	141 Å²	141	83.3 Å²	83.3	53%	0.532	42%	0.417	S	S	.	.	H	α-helix	trans	-73.7	-26	176.5	-171.1	-171.5	65.2	-167.9	-6.7	113.3	S631 E632 Q633 G639	S631-R635 WeakPolarHBondContact O-CB 3.48Å; S631-R635 PolarHBondContact O-N 2.96Å; E632-R635 WeakPolarHBondContact O-CB 3.46Å; E632-R635 PolarHBondContact O-N 2.85Å; Q633-R635 PolarHBondContact O-N 3.01Å; Q633-R635 VanDerWaalsContact O-N 3.13Å; R635-G639 WeakPolarHBondContact CA-O 3.5Å; R635-G639 WeakPolarHBondContact O-CA 3.32Å; R635-G639 PolarHBondContact O-N 3.06Å
636	R	91.8	Very high	92	Very high	141 Å²	141	81.1 Å²	81.1	53%	0.532	41%	0.413	S	S	.	.	H	α-helix	trans	-75.8	-48.3	171.1	-65	168.4	-166.2	109	12.3	110	E632 Q633	E632-R636 WeakPolarHBondContact O-CG 3.36Å; E632-R636 PolarHBondContact O-N 3.35Å; E632-R636 VanDerWaalsContact O-N 3.08Å; E632-R636 IonicContact OE2-NH2 2.84Å; E632-R636 PolarHBondContact OE2-NH2 2.92Å; Q633-R636 WeakPolarHBondContact O-CA 3.43Å; Q633-R636 WeakPolarHBondContact O-CB 3.23Å; Q633-R636 PolarHBondContact O-N 2.89Å
637	D	90.4	Very high	91.8	Very high	109 Å²	109	78.4 Å²	78.4	58%	0.583	40%	0.401	S	S	*	.	H	α-helix	trans	-85.6	-32.2	-166.7	-55.6	-17.8	0	0	0	113.3	Q633	Q633-D637 WeakPolarHBondContact CG-OD2 3.44Å; Q633-D637 PolarHBondContact NE2-OD1 2.88Å; Q633-D637 PolarHBondContact NE2-OD2 2.89Å; Q633-D637 VanDerWaalsContact O-CG 3.32Å; Q633-D637 PolarHBondContact O-N 3.35Å
638	C	86.5	Confident	91.8	Very high	79 Å²	79	78.7 Å²	78.7	53%	0.534	40%	0.402	S	S	.	.	S	Bend	trans	-121.4	4.1	-177.7	-54	0	0	0	0	113.6	L634	L634-C638 WeakPolarHBondContact O-CA 3.24Å; L634-C638 WeakPolarHBondContact O-CB 3.19Å; L634-C638 PolarHBondContact O-N 2.81Å
639	G	88.8	Confident	91.7	Very high	31 Å²	31	81.9 Å²	81.9	32%	0.32	42%	0.415	S	S	.	.			trans	73.8	-159.3	179.5	0	0	0	0	0	115.2	R635 N641	R635-G639 WeakPolarHBondContact CA-O 3.5Å; R635-G639 WeakPolarHBondContact O-CA 3.32Å; R635-G639 PolarHBondContact O-N 3.06Å; G639-N641 PolarHBondContact O-N 2.81Å; G639-N641 VanDerWaalsContact O-N 3.11Å
640	K	85.7	Confident	91.6	Very high	202 Å²	202	80.4 Å²	80.4	88%	0.878	40%	0.399	S	S	*	.			trans	-83	88.4	-168.6	-66.4	177.7	-175.5	169.7	0	112.9
641	N	87.8	Confident	91.6	Very high	63 Å²	63	78.2 Å²	78.2	34%	0.337	39%	0.389	S	S	.	.			trans	-81.3	115.6	167.6	-175.1	-27.3	0	0	0	111.3	N439 G639 A643 N644 K645	N439-N641 PolarHBondContact OD1-ND2 2.95Å; G639-N641 PolarHBondContact O-N 2.81Å; G639-N641 VanDerWaalsContact O-N 3.11Å; N641-A643 WeakPolarHBondContact OD1-CB 3.32Å; N641-A643 PolarHBondContact OD1-N 2.82Å; N641-N644 HydrophobicContact CB-CB 4.05Å; N641-N644 PolarHBondContact ND2-ND2 3Å; N641-N644 PolarHBondContact ND2-OD1 3.17Å; N641-N644 PolarHBondContact OD1-N 2.85Å; N641-K645 PolarHBondContact O-N 2.88Å
642	T	90.9	Very high	91.6	Very high	116 Å²	116	80 Å²	80	71%	0.712	39%	0.393	S	S	*	.	H	α-helix	trans	-74.8	-35.3	179.9	47.4	0	0	0	0	113.3	K645 K646	T642-K645 PolarHBondContact O-N 2.85Å; T642-K646 PolarHBondContact O-N 3.38Å
643	A	90.1	Very high	91.7	Very high	61 Å²	61	78.8 Å²	78.8	50%	0.504	39%	0.392	S	S	.	.	H	α-helix	trans	-65.3	-46.4	177	0	0	0	0	0	110.9	N641 K645 K646 M647	N641-A643 WeakPolarHBondContact OD1-CB 3.32Å; N641-A643 PolarHBondContact OD1-N 2.82Å; A643-K645 VanDerWaalsContact C-N 3.3Å; A643-K645 PolarHBondContact O-N 2.81Å; A643-K646 PolarHBondContact O-N 2.76Å; A643-K646 VanDerWaalsContact O-N 3.15Å; A643-M647 VanDerWaalsContact O-CB 3.31Å; A643-M647 WeakPolarHBondContact O-CB 3.31Å; A643-M647 PolarHBondContact O-N 3.3Å
644	N	90.7	Very high	91.6	Very high	13 Å²	13	74.9 Å²	74.9	7%	0.07	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-43.4	175.1	-69.6	10.3	0	0	0	111.5	N439 F442 N641 L648	N439-N644 PolarHBondContact OD1-ND2 2.99Å; F442-N644 HydrophobicContact CD1-CB 4.02Å; F442-N644 HydrophobicContact CE1-CB 3.6Å; F442-N644 HydrophobicContact CZ-CB 4.49Å; N641-N644 HydrophobicContact CB-CB 4.05Å; N641-N644 PolarHBondContact ND2-ND2 3Å; N641-N644 PolarHBondContact ND2-OD1 3.17Å; N641-N644 PolarHBondContact OD1-N 2.85Å; N644-L648 WeakPolarHBondContact O-CB 3.49Å; N644-L648 PolarHBondContact O-N 3.32Å
645	K	92.1	Very high	91.5	Very high	161 Å²	161	77.5 Å²	77.5	70%	0.7	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-40.2	177	-175.1	-176.8	175.4	-172	0	112.5	N641 T642 A643 K649	N641-K645 PolarHBondContact O-N 2.88Å; T642-K645 PolarHBondContact O-N 2.85Å; A643-K645 VanDerWaalsContact C-N 3.3Å; A643-K645 PolarHBondContact O-N 2.81Å; K645-K649 WeakPolarHBondContact O-CB 3.47Å; K645-K649 PolarHBondContact O-N 2.8Å; K645-K649 VanDerWaalsContact O-N 3.15Å
646	K	93.1	Very high	91.3	Very high	134 Å²	134	74.6 Å²	74.6	58%	0.583	39%	0.394	S	S	*	.	H	α-helix	trans	-65.2	-54.5	175.7	-179.7	-179.4	-176.3	-61.4	0	110.4	T642 A643 L648 K649 D650	T642-K646 PolarHBondContact O-N 3.38Å; A643-K646 PolarHBondContact O-N 2.76Å; A643-K646 VanDerWaalsContact O-N 3.15Å; K646-L648 VanDerWaalsContact C-N 3.31Å; K646-L648 PolarHBondContact O-N 2.8Å; K646-K649 PolarHBondContact O-N 2.8Å; K646-K649 VanDerWaalsContact O-N 3.08Å; K646-D650 WeakPolarHBondContact CE-OD2 3.43Å; K646-D650 WeakPolarHBondContact CG-OD2 3.26Å; K646-D650 IonicContact NZ-OD2 2.71Å; K646-D650 PolarHBondContact NZ-OD2 3.39Å; K646-D650 WeakPolarHBondContact O-CB 3.26Å; K646-D650 PolarHBondContact O-N 3.38Å
647	M	92.6	Very high	91.2	Very high	46 Å²	46	72.5 Å²	72.5	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-53.5	-44.7	-179.8	179.9	170.2	63.4	0	0	112.3	F442 T443 V446 A643 A651	F442-M647 HydrophobicContact CD1-CE 3.6Å; F442-M647 HydrophobicContact CE1-CE 3.65Å; T443-M647 HydrophobicContact CG2-CE 4.45Å; T443-M647 HydrophobicContact CG2-SD 4.04Å; V446-M647 HydrophobicContact CB-CE 4.43Å; V446-M647 HydrophobicContact CB-CG 4.03Å; V446-M647 HydrophobicContact CB-SD 4.28Å; V446-M647 HydrophobicContact CG1-CG 3.75Å; V446-M647 HydrophobicContact CG2-CE 4.02Å; V446-M647 HydrophobicContact CG2-CG 4.15Å; V446-M647 HydrophobicContact CG2-SD 4.46Å; A643-M647 VanDerWaalsContact O-CB 3.31Å; A643-M647 WeakPolarHBondContact O-CB 3.31Å; A643-M647 PolarHBondContact O-N 3.3Å; M647-A651 VanDerWaalsContact O-CB 3.3Å; M647-A651 WeakPolarHBondContact O-CB 3.47Å; M647-A651 PolarHBondContact O-N 3.3Å
648	L	94.3	Very high	90.8	Very high	10 Å²	10	72.9 Å²	72.9	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-44.6	176	-171.1	67.7	0	0	0	112.9	F442 V446 L627 N644 K646 F652	F442-L648 HydrophobicContact CZ-CB 4.22Å; F442-L648 HydrophobicContact CZ-CD1 4.16Å; F442-L648 HydrophobicContact CZ-CD2 4.48Å; V446-L648 HydrophobicContact CG2-CD1 4.44Å; L627-L648 HydrophobicContact CD2-CD1 3.75Å; L627-L648 HydrophobicContact CG-CD1 3.68Å; N644-L648 WeakPolarHBondContact O-CB 3.49Å; N644-L648 PolarHBondContact O-N 3.32Å; K646-L648 VanDerWaalsContact C-N 3.31Å; K646-L648 PolarHBondContact O-N 2.8Å; L648-F652 HydrophobicContact CD1-CD1 4.48Å; L648-F652 HydrophobicContact CD1-CD2 4.26Å; L648-F652 HydrophobicContact CD1-CE1 3.91Å; L648-F652 HydrophobicContact CD1-CE2 3.64Å; L648-F652 HydrophobicContact CD1-CZ 3.45Å; L648-F652 VanDerWaalsContact CD1-CZ 3.45Å; L648-F652 HydrophobicContact CD2-CE2 4.07Å; L648-F652 HydrophobicContact CG-CD2 4.02Å; L648-F652 HydrophobicContact CG-CE2 3.68Å; L648-F652 HydrophobicContact CG-CZ 4.05Å; L648-F652 WeakPolarHBondContact O-CB 3.42Å; L648-F652 WeakPolarHBondContact O-CG 3.2Å; L648-F652 PolarHBondContact O-N 2.83Å
649	K	94.2	Very high	90.8	Very high	138 Å²	138	70.7 Å²	70.7	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-62.2	-45.4	178.7	-174.2	-150.6	168.4	-157.3	0	110.9	K645 K646 F652 S653	K645-K649 WeakPolarHBondContact O-CB 3.47Å; K645-K649 PolarHBondContact O-N 2.8Å; K645-K649 VanDerWaalsContact O-N 3.15Å; K646-K649 PolarHBondContact O-N 2.8Å; K646-K649 VanDerWaalsContact O-N 3.08Å; K649-F652 PolarHBondContact O-N 2.87Å; K649-S653 WeakPolarHBondContact O-CB 3.41Å; K649-S653 PolarHBondContact O-N 2.85Å; K649-S653 PolarHBondContact O-OG 2.81Å
650	D	93.2	Very high	90.8	Very high	23 Å²	23	69.4 Å²	69.4	12%	0.123	37%	0.367	C	S	.	.	H	α-helix	trans	-70.4	-37.9	-175.6	-61.9	-10.1	0	0	0	110.5	K646 S653 Q668	K646-D650 WeakPolarHBondContact CE-OD2 3.43Å; K646-D650 WeakPolarHBondContact CG-OD2 3.26Å; K646-D650 IonicContact NZ-OD2 2.71Å; K646-D650 PolarHBondContact NZ-OD2 3.39Å; K646-D650 WeakPolarHBondContact O-CB 3.26Å; K646-D650 PolarHBondContact O-N 3.38Å; D650-S653 PolarHBondContact O-N 2.77Å; D650-Q668 VanDerWaalsContact C-NE2 3.33Å; D650-Q668 PolarHBondContact O-NE2 3.17Å
651	A	94.6	Very high	91	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-48.2	171.9	0	0	0	0	0	112.6	V446 F449 I450 M647 S653 L654	V446-A651 HydrophobicContact CG1-CB 3.48Å; V446-A651 VanDerWaalsContact CG1-CB 3.48Å; F449-A651 HydrophobicContact CD1-CB 4.19Å; I450-A651 HydrophobicContact CD1-CB 4.02Å; I450-A651 HydrophobicContact CG1-CB 3.89Å; M647-A651 VanDerWaalsContact O-CB 3.3Å; M647-A651 WeakPolarHBondContact O-CB 3.47Å; M647-A651 PolarHBondContact O-N 3.3Å; A651-S653 PolarHBondContact O-N 2.98Å; A651-L654 WeakPolarHBondContact O-CB 3.14Å; A651-L654 PolarHBondContact O-N 2.85Å
652	F	95.5	Very high	91.1	Very high	57 Å²	57	67.5 Å²	67.5	25%	0.25	36%	0.358	C	S	.	.	H	α-helix	trans	-67	-24.2	176.7	-70.5	-13.3	0	0	0	113.2	F449 G624 L627 Q628 L648 K649 L654 L655	F449-F652 HydrophobicContact CD1-CD1 4.32Å; F449-F652 HydrophobicContact CD1-CE1 4.5Å; F449-F652 HydrophobicContact CD2-CE1 4.5Å; F449-F652 AromaticContact CE1-CD1 3.76Å; F449-F652 HydrophobicContact CE1-CD1 3.76Å; F449-F652 HydrophobicContact CE1-CE1 4.23Å; F449-F652 HydrophobicContact CE2-CD1 4.38Å; F449-F652 HydrophobicContact CE2-CE1 4.2Å; F449-F652 AromaticContact CZ-CD1 3.79Å; F449-F652 HydrophobicContact CZ-CD1 3.79Å; F449-F652 HydrophobicContact CZ-CE1 4.07Å; G624-F652 WeakPolarHBondContact O-CZ 3.5Å; L627-F652 HydrophobicContact CD2-CE1 4.06Å; L627-F652 HydrophobicContact CD2-CZ 4.39Å; Q628-F652 HydrophobicContact CB-CE2 4.41Å; Q628-F652 HydrophobicContact CB-CZ 4.43Å; L648-F652 HydrophobicContact CD1-CD1 4.48Å; L648-F652 HydrophobicContact CD1-CD2 4.26Å; L648-F652 HydrophobicContact CD1-CE1 3.91Å; L648-F652 HydrophobicContact CD1-CE2 3.64Å; L648-F652 HydrophobicContact CD1-CZ 3.45Å; L648-F652 VanDerWaalsContact CD1-CZ 3.45Å; L648-F652 HydrophobicContact CD2-CE2 4.07Å; L648-F652 HydrophobicContact CG-CD2 4.02Å; L648-F652 HydrophobicContact CG-CE2 3.68Å; L648-F652 HydrophobicContact CG-CZ 4.05Å; L648-F652 WeakPolarHBondContact O-CB 3.42Å; L648-F652 WeakPolarHBondContact O-CG 3.2Å; L648-F652 PolarHBondContact O-N 2.83Å; K649-F652 PolarHBondContact O-N 2.87Å; F652-L654 PolarHBondContact O-N 3.01Å; F652-L655 WeakPolarHBondContact O-CB 3.45Å; F652-L655 PolarHBondContact O-N 3.11Å; F652-L655 VanDerWaalsContact O-N 3.14Å
653	S	94.3	Very high	91	Very high	34 Å²	34	62.5 Å²	62.5	24%	0.238	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-21.9	177.3	-62.6	0	0	0	0	112.8	K649 D650 A651 L655 A656 Y657	K649-S653 WeakPolarHBondContact O-CB 3.41Å; K649-S653 PolarHBondContact O-N 2.85Å; K649-S653 PolarHBondContact O-OG 2.81Å; D650-S653 PolarHBondContact O-N 2.77Å; A651-S653 PolarHBondContact O-N 2.98Å; S653-L655 PolarHBondContact O-N 2.83Å; S653-A656 WeakPolarHBondContact O-CB 3.24Å; S653-A656 PolarHBondContact O-N 3.09Å; S653-Y657 WeakPolarHBondContact O-CD2 3.31Å
654	L	92.1	Very high	91.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.2	172.4	-65.5	167.2	0	0	0	112.5	I450 V453 A651 F652 A656 P660 V665 L669	I450-L654 HydrophobicContact CG1-CD1 4.22Å; I450-L654 HydrophobicContact CG2-CD1 4.34Å; V453-L654 HydrophobicContact CG1-CB 4.25Å; V453-L654 HydrophobicContact CG1-CD1 4.34Å; A651-L654 WeakPolarHBondContact O-CB 3.14Å; A651-L654 PolarHBondContact O-N 2.85Å; F652-L654 PolarHBondContact O-N 3.01Å; L654-A656 PolarHBondContact O-N 3.05Å; L654-P660 HydrophobicContact CB-CB 4.44Å; L654-P660 HydrophobicContact CD2-CB 4.2Å; L654-V665 HydrophobicContact CD2-CG2 3.95Å; L654-V665 HydrophobicContact CG-CG2 4.28Å; L654-L669 HydrophobicContact CD1-CD2 4.2Å; L654-L669 HydrophobicContact CD2-CD1 4.2Å; L654-L669 HydrophobicContact CD2-CG 4.29Å
655	L	90	Very high	91.2	Very high	69 Å²	69	65.2 Å²	65.2	36%	0.361	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-69.7	-14.7	178.4	-59.4	-174.3	0	0	0	113.8	F449 V453 L609 M620 F652 S653 Y657	F449-L655 HydrophobicContact CZ-CD1 4.01Å; F449-L655 HydrophobicContact CZ-CD2 4.06Å; F449-L655 HydrophobicContact CZ-CG 4.09Å; V453-L655 HydrophobicContact CG2-CD2 4.24Å; L609-L655 HydrophobicContact CD2-CD2 4.15Å; M620-L655 HydrophobicContact CE-CD2 3.48Å; M620-L655 VanDerWaalsContact CE-CD2 3.48Å; M620-L655 HydrophobicContact SD-CD2 3.75Å; F652-L655 WeakPolarHBondContact O-CB 3.45Å; F652-L655 PolarHBondContact O-N 3.11Å; F652-L655 VanDerWaalsContact O-N 3.14Å; S653-L655 PolarHBondContact O-N 2.83Å; L655-Y657 VanDerWaalsContact C-N 3.26Å; L655-Y657 PolarHBondContact O-N 3.37Å
656	A	89.7	Confident	91.1	Very high	80 Å²	80	57.8 Å²	57.8	66%	0.661	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-82.5	-0.6	-177.8	0	0	0	0	0	113.7	S653 L654	S653-A656 WeakPolarHBondContact O-CB 3.24Å; S653-A656 PolarHBondContact O-N 3.09Å; L654-A656 PolarHBondContact O-N 3.05Å
657	Y	88.6	Confident	91.1	Very high	97 Å²	97	56.7 Å²	56.7	38%	0.38	31%	0.31	S	S	.	.			trans	-128.6	133.7	-173	-62	-91.2	0	0	0	111.2	S653 L655 D659 S663 P664	S653-Y657 WeakPolarHBondContact O-CD2 3.31Å; L655-Y657 VanDerWaalsContact C-N 3.26Å; L655-Y657 PolarHBondContact O-N 3.37Å; Y657-D659 VanDerWaalsContact C-N 3.28Å; Y657-D659 PolarHBondContact O-N 3.01Å; Y657-S663 VanDerWaalsContact CG-CB 3.48Å; Y657-P664 WeakPolarHBondContact OH-CD 3.46Å
658	S	82.9	Confident	91.1	Very high	117 Å²	117	55.7 Å²	55.7	82%	0.818	31%	0.305	S	S	*	.	S	Bend	trans	-66.8	-28.7	179	-45.5	0	0	0	0	113.4
659	D	86.1	Confident	91	Very high	32 Å²	32	55.3 Å²	55.3	17%	0.171	30%	0.303	C	S	.	.	S	Bend	trans	-119.5	101.3	165.4	179.8	-13.4	0	0	0	107.5	R607 Y657 W661 N662	R607-D659 IonicContact NH1-OD2 3.49Å; R607-D659 PolarHBondContact NH1-OD2 2.83Å; Y657-D659 VanDerWaalsContact C-N 3.28Å; Y657-D659 PolarHBondContact O-N 3.01Å; D659-W661 PolarHBondContact O-N 2.84Å; D659-W661 WeakPolarHBondContact OD1-CB 3.38Å; D659-W661 PolarHBondContact OD1-N 2.91Å; D659-N662 HydrophobicContact CB-CB 4.3Å; D659-N662 PolarHBondContact O-N 2.93Å; D659-N662 PolarHBondContact OD2-ND2 3.34Å
660	P	89.2	Confident	91	Very high	5 Å²	5	52 Å²	52	3%	0.032	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.3	-179.4	-28.8	38	0	0	0	114.8	V453 R607 L609 L654 N662 S663 G666 L669	V453-P660 HydrophobicContact CG1-CB 4.31Å; V453-P660 HydrophobicContact CG1-CG 4.26Å; R607-P660 WeakPolarHBondContact O-CD 3.38Å; L609-P660 HydrophobicContact CD2-CG 3.54Å; L609-P660 HydrophobicContact CG-CG 4.09Å; L654-P660 HydrophobicContact CB-CB 4.44Å; L654-P660 HydrophobicContact CD2-CB 4.2Å; P660-N662 VanDerWaalsContact C-N 3.32Å; P660-S663 VanDerWaalsContact O-CB 3.29Å; P660-S663 WeakPolarHBondContact O-CB 3.35Å; P660-S663 PolarHBondContact O-N 2.94Å; P660-S663 PolarHBondContact O-OG 3.35Å; P660-G666 VanDerWaalsContact O-CA 3.28Å; P660-G666 WeakPolarHBondContact O-CA 3.49Å; P660-L669 HydrophobicContact CB-CD1 3.74Å
661	W	89	Confident	91	Very high	103 Å²	103	54 Å²	54	39%	0.39	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-69.7	-32.3	177.8	-68.1	93.7	0	0	0	112	N454 D659 S663 L669	N454-W661 WeakPolarHBondContact OD1-CZ2 3.24Å; D659-W661 PolarHBondContact O-N 2.84Å; D659-W661 WeakPolarHBondContact OD1-CB 3.38Å; D659-W661 PolarHBondContact OD1-N 2.91Å; W661-S663 PolarHBondContact O-N 2.84Å; W661-L669 HydrophobicContact CD2-CB 4.06Å; W661-L669 HydrophobicContact CD2-CD1 3.77Å; W661-L669 HydrophobicContact CE3-CB 3.9Å; W661-L669 HydrophobicContact CE3-CD1 4.23Å; W661-L669 HydrophobicContact CG-CD1 3.9Å; W661-L669 HydrophobicContact CH2-CB 3.53Å; W661-L669 WeakPolarHBondContact CH2-O 3.45Å; W661-L669 HydrophobicContact CZ2-CB 3.69Å; W661-L669 HydrophobicContact CZ2-CD1 4.5Å; W661-L669 HydrophobicContact CZ3-CB 3.64Å
662	N	89.2	Confident	91.1	Very high	122 Å²	122	58 Å²	58	65%	0.652	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-83.1	7.6	175	-83.2	-58.8	0	0	0	113.5	D659 P660	D659-N662 HydrophobicContact CB-CB 4.3Å; D659-N662 PolarHBondContact O-N 2.93Å; D659-N662 PolarHBondContact OD2-ND2 3.34Å; P660-N662 VanDerWaalsContact C-N 3.32Å
663	S	90.2	Very high	91	Very high	11 Å²	11	59.3 Å²	59.3	8%	0.077	33%	0.334	C	S	.	.	S	Bend	trans	-80.9	157.2	175.8	76.3	0	0	0	0	112.4	Y657 P660 W661 V665 G666	Y657-S663 VanDerWaalsContact CG-CB 3.48Å; P660-S663 VanDerWaalsContact O-CB 3.29Å; P660-S663 WeakPolarHBondContact O-CB 3.35Å; P660-S663 PolarHBondContact O-N 2.94Å; P660-S663 PolarHBondContact O-OG 3.35Å; W661-S663 PolarHBondContact O-N 2.84Å; S663-V665 PolarHBondContact O-N 2.93Å; S663-V665 PolarHBondContact OG-N 2.74Å; S663-G666 PolarHBondContact O-N 2.95Å; S663-G666 WeakPolarHBondContact OG-CA 3.43Å; S663-G666 PolarHBondContact OG-N 2.88Å
664	P	92.3	Very high	91.2	Very high	104 Å²	104	58.8 Å²	58.8	68%	0.675	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-4.7	173.4	-23.4	34.8	0	0	0	115.4	Y657	Y657-P664 WeakPolarHBondContact OH-CD 3.46Å
665	V	91.2	Very high	91.3	Very high	27 Å²	27	63 Å²	63	16%	0.164	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	17.6	177.9	-60.3	0	0	0	0	112	L654 S663 N667 Q668	L654-V665 HydrophobicContact CD2-CG2 3.95Å; L654-V665 HydrophobicContact CG-CG2 4.28Å; S663-V665 PolarHBondContact O-N 2.93Å; S663-V665 PolarHBondContact OG-N 2.74Å; V665-N667 PolarHBondContact O-N 3.01Å; V665-N667 PolarHBondContact O-OD1 2.92Å; V665-Q668 WeakPolarHBondContact O-CB 3Å; V665-Q668 WeakPolarHBondContact O-CG 3.3Å; V665-Q668 PolarHBondContact O-N 2.82Å; V665-Q668 VanDerWaalsContact O-N 3.12Å; V665-Q668 PolarHBondContact O-NE2 2.87Å; V665-Q668 VanDerWaalsContact O-NE2 3.15Å
666	G	91.3	Very high	91.5	Very high	5 Å²	5	63.7 Å²	63.7	5%	0.052	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-65	-22.1	-178.5	0	0	0	0	0	113.4	P660 S663 Q668 L669	P660-G666 VanDerWaalsContact O-CA 3.28Å; P660-G666 WeakPolarHBondContact O-CA 3.49Å; S663-G666 PolarHBondContact O-N 2.95Å; S663-G666 WeakPolarHBondContact OG-CA 3.43Å; S663-G666 PolarHBondContact OG-N 2.88Å; G666-Q668 PolarHBondContact O-N 3.2Å; G666-Q668 VanDerWaalsContact O-N 3.08Å; G666-L669 WeakPolarHBondContact O-CB 3.13Å; G666-L669 PolarHBondContact O-N 2.94Å
667	N	93	Very high	91.8	Very high	110 Å²	110	60.6 Å²	60.6	59%	0.588	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58.1	-17.7	170.5	65.5	-14.2	0	0	0	114	V665 L669 D670 Q673	V665-N667 PolarHBondContact O-N 3.01Å; V665-N667 PolarHBondContact O-OD1 2.92Å; N667-L669 PolarHBondContact O-N 3.22Å; N667-D670 VanDerWaalsContact O-CB 3.3Å; N667-D670 WeakPolarHBondContact O-CB 3.36Å; N667-D670 PolarHBondContact O-N 3.45Å; N667-Q673 VanDerWaalsContact O-CG 3.3Å; N667-Q673 WeakPolarHBondContact O-CG 3.49Å
668	Q	92.5	Very high	92.2	Very high	26 Å²	26	56.4 Å²	56.4	12%	0.121	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.1	170.9	-69.4	177.3	110.8	0	0	113.1	R447 I450 D650 V665 G666 D670	R447-Q668 PolarHBondContact NH1-O 3.23Å; R447-Q668 PolarHBondContact NH2-O 2.83Å; I450-Q668 HydrophobicContact CD1-CB 4.44Å; I450-Q668 HydrophobicContact CG2-CB 4.49Å; D650-Q668 VanDerWaalsContact C-NE2 3.33Å; D650-Q668 PolarHBondContact O-NE2 3.17Å; V665-Q668 WeakPolarHBondContact O-CB 3Å; V665-Q668 WeakPolarHBondContact O-CG 3.3Å; V665-Q668 PolarHBondContact O-N 2.82Å; V665-Q668 VanDerWaalsContact O-N 3.12Å; V665-Q668 PolarHBondContact O-NE2 2.87Å; V665-Q668 VanDerWaalsContact O-NE2 3.15Å; G666-Q668 PolarHBondContact O-N 3.2Å; G666-Q668 VanDerWaalsContact O-N 3.08Å; Q668-D670 VanDerWaalsContact C-N 3.26Å; Q668-D670 PolarHBondContact O-N 2.88Å
669	L	92.5	Very high	92.8	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-76.8	-15.3	-178	-61.3	161.8	0	0	0	112.7	I450 V453 N454 L654 P660 W661 G666 N667	I450-L669 HydrophobicContact CG2-CD2 4.06Å; V453-L669 HydrophobicContact CG1-CD2 3.98Å; N454-L669 HydrophobicContact CB-CD2 3.99Å; L654-L669 HydrophobicContact CD1-CD2 4.2Å; L654-L669 HydrophobicContact CD2-CD1 4.2Å; L654-L669 HydrophobicContact CD2-CG 4.29Å; P660-L669 HydrophobicContact CB-CD1 3.74Å; W661-L669 HydrophobicContact CD2-CB 4.06Å; W661-L669 HydrophobicContact CD2-CD1 3.77Å; W661-L669 HydrophobicContact CE3-CB 3.9Å; W661-L669 HydrophobicContact CE3-CD1 4.23Å; W661-L669 HydrophobicContact CG-CD1 3.9Å; W661-L669 HydrophobicContact CH2-CB 3.53Å; W661-L669 WeakPolarHBondContact CH2-O 3.45Å; W661-L669 HydrophobicContact CZ2-CB 3.69Å; W661-L669 HydrophobicContact CZ2-CD1 4.5Å; W661-L669 HydrophobicContact CZ3-CB 3.64Å; G666-L669 WeakPolarHBondContact O-CB 3.13Å; G666-L669 PolarHBondContact O-N 2.94Å; N667-L669 PolarHBondContact O-N 3.22Å
670	D	93.8	Very high	93.3	Very high	68 Å²	68	53.9 Å²	53.9	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-56.7	132.4	176.7	-168.7	-42.6	0	0	0	110.9	R447 N667 Q668 I672 Q673	R447-D670 PolarHBondContact NH2-O 3.25Å; N667-D670 VanDerWaalsContact O-CB 3.3Å; N667-D670 WeakPolarHBondContact O-CB 3.36Å; N667-D670 PolarHBondContact O-N 3.45Å; Q668-D670 VanDerWaalsContact C-N 3.26Å; Q668-D670 PolarHBondContact O-N 2.88Å; D670-I672 HydrophobicContact CB-CG2 4.18Å; D670-I672 PolarHBondContact O-N 2.7Å; D670-I672 WeakPolarHBondContact OD1-CB 3.37Å; D670-I672 VanDerWaalsContact OD1-CG2 3.29Å; D670-I672 WeakPolarHBondContact OD1-CG2 3.42Å; D670-I672 PolarHBondContact OD1-N 2.88Å; D670-Q673 HydrophobicContact CB-CG 4.26Å; D670-Q673 WeakPolarHBondContact O-CB 3.42Å; D670-Q673 PolarHBondContact O-N 2.7Å; D670-Q673 VanDerWaalsContact O-N 3.17Å
671	P	94	Very high	93.6	Very high	67 Å²	67	53.8 Å²	53.8	44%	0.435	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-52.8	-30.6	172.8	-28.9	36.9	0	0	0	115.2	Q673 R674	P671-Q673 PolarHBondContact O-N 2.95Å; P671-R674 WeakPolarHBondContact O-CB 3.41Å; P671-R674 WeakPolarHBondContact O-CD 3.43Å; P671-R674 VanDerWaalsContact O-CG 3.23Å; P671-R674 WeakPolarHBondContact O-CG 3.49Å; P671-R674 PolarHBondContact O-N 3.41Å
672	I	94.7	Very high	94	Very high	82 Å²	82	49 Å²	49	42%	0.421	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-60.6	-29.2	179.6	-156.6	173.3	0	0	0	112	D670 R674 E675 P676	D670-I672 HydrophobicContact CB-CG2 4.18Å; D670-I672 PolarHBondContact O-N 2.7Å; D670-I672 WeakPolarHBondContact OD1-CB 3.37Å; D670-I672 VanDerWaalsContact OD1-CG2 3.29Å; D670-I672 WeakPolarHBondContact OD1-CG2 3.42Å; D670-I672 PolarHBondContact OD1-N 2.88Å; I672-R674 PolarHBondContact O-N 3.02Å; I672-R674 VanDerWaalsContact O-N 3.07Å; I672-E675 WeakPolarHBondContact O-CB 3.39Å; I672-E675 PolarHBondContact O-N 3.48Å; I672-P676 WeakPolarHBondContact O-CD 3.43Å
673	Q	95.1	Very high	94.3	Very high	85 Å²	85	44 Å²	44	40%	0.397	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-70.4	-2.6	177.7	-58.2	-63.9	-40.5	0	0	113.2	N667 D670 P671	N667-Q673 VanDerWaalsContact O-CG 3.3Å; N667-Q673 WeakPolarHBondContact O-CG 3.49Å; D670-Q673 HydrophobicContact CB-CG 4.26Å; D670-Q673 WeakPolarHBondContact O-CB 3.42Å; D670-Q673 PolarHBondContact O-N 2.7Å; D670-Q673 VanDerWaalsContact O-N 3.17Å; P671-Q673 PolarHBondContact O-N 2.95Å
674	R	96.8	Very high	94.6	Very high	23 Å²	23	43.8 Å²	43.8	9%	0.087	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-79.2	-28.8	168.4	-60	168.4	178.8	160.6	4.8	112.1	V414 L415 E451 P671 I672 V677 C678	V414-R674 WeakPolarHBondContact O-CD 3.2Å; L415-R674 HydrophobicContact CD2-CB 4.31Å; L415-R674 WeakPolarHBondContact O-CD 3.37Å; L415-R674 PolarHBondContact O-NH1 3.28Å; E451-R674 WeakPolarHBondContact OE1-CG 3.45Å; E451-R674 IonicContact OE1-CZ 2.7Å; E451-R674 IonicContact OE1-NE 2.81Å; E451-R674 PolarHBondContact OE1-NE 3.19Å; E451-R674 IonicContact OE1-NH2 3.52Å; E451-R674 PolarHBondContact OE1-NH2 3.35Å; E451-R674 IonicContact OE2-CZ 3.97Å; E451-R674 IonicContact OE2-NE 3.6Å; E451-R674 IonicContact OE2-NH2 3.22Å; E451-R674 PolarHBondContact OE2-NH2 3.45Å; P671-R674 WeakPolarHBondContact O-CB 3.41Å; P671-R674 WeakPolarHBondContact O-CD 3.43Å; P671-R674 VanDerWaalsContact O-CG 3.23Å; P671-R674 WeakPolarHBondContact O-CG 3.49Å; P671-R674 PolarHBondContact O-N 3.41Å; I672-R674 PolarHBondContact O-N 3.02Å; I672-R674 VanDerWaalsContact O-N 3.07Å; R674-V677 PolarHBondContact O-N 3.14Å; R674-C678 WeakPolarHBondContact O-CB 3.23Å; R674-C678 PolarHBondContact O-N 3.15Å
675	E	95.5	Very high	94.7	Very high	90 Å²	90	38.9 Å²	38.9	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-64.3	-43.5	-172.3	-60.3	-176.2	169.3	0	0	114	L415 I672 V677 C678 S679	L415-E675 HydrophobicContact CD2-CG 4.06Å; I672-E675 WeakPolarHBondContact O-CB 3.39Å; I672-E675 PolarHBondContact O-N 3.48Å; E675-V677 VanDerWaalsContact C-N 3.27Å; E675-V677 PolarHBondContact O-N 3.34Å; E675-C678 WeakPolarHBondContact O-CB 3.25Å; E675-C678 PolarHBondContact O-N 3.03Å; E675-S679 WeakPolarHBondContact O-CB 3.34Å; E675-S679 PolarHBondContact O-N 2.89Å
676	P	94.9	Very high	94.8	Very high	83 Å²	83	37.9 Å²	37.9	54%	0.539	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-36.3	176.8	-22.9	34.8	0	0	0	112.3	I672 A680	I672-P676 WeakPolarHBondContact O-CD 3.43Å; P676-A680 WeakPolarHBondContact O-CB 3.2Å; P676-A680 PolarHBondContact O-N 2.81Å
677	V	95.9	Very high	94.9	Very high	14 Å²	14	40.9 Å²	40.9	9%	0.085	23%	0.229	C	C	.	.	H	α-helix	trans	-71.1	-41.7	177.9	-174.7	0	0	0	0	110.7	M419 T443 L444 R447 R674 E675 A680 L681	M419-V677 HydrophobicContact CE-CG1 4.14Å; T443-V677 HydrophobicContact CG2-CG1 4.37Å; T443-V677 HydrophobicContact CG2-CG2 4.1Å; L444-V677 HydrophobicContact CD2-CG1 3.53Å; L444-V677 HydrophobicContact CG-CG1 4.28Å; R447-V677 HydrophobicContact CB-CG1 4.47Å; R447-V677 HydrophobicContact CB-CG2 4.37Å; R447-V677 HydrophobicContact CG-CG2 4.44Å; R674-V677 PolarHBondContact O-N 3.14Å; E675-V677 VanDerWaalsContact C-N 3.27Å; E675-V677 PolarHBondContact O-N 3.34Å; V677-A680 PolarHBondContact O-N 3.5Å; V677-L681 WeakPolarHBondContact O-CB 3.37Å; V677-L681 PolarHBondContact O-N 3.47Å
678	C	97.1	Very high	94.7	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-45.2	174.5	-165.9	0	0	0	0	111.8	V414 L415 R674 E675 L681 N682	V414-C678 HydrophobicContact CB-CB 4.31Å; V414-C678 HydrophobicContact CG1-CB 3.7Å; L415-C678 HydrophobicContact CD2-CB 4.16Å; R674-C678 WeakPolarHBondContact O-CB 3.23Å; R674-C678 PolarHBondContact O-N 3.15Å; E675-C678 WeakPolarHBondContact O-CB 3.25Å; E675-C678 PolarHBondContact O-N 3.03Å; C678-L681 PolarHBondContact O-N 2.94Å; C678-N682 WeakPolarHBondContact O-CB 3.49Å; C678-N682 PolarHBondContact O-N 3.21Å
679	S	94.6	Very high	94.5	Very high	52 Å²	52	41.8 Å²	41.8	36%	0.364	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-43.8	178.1	-173.6	0	0	0	0	112.1	E675 L681 N682 S683	E675-S679 WeakPolarHBondContact O-CB 3.34Å; E675-S679 PolarHBondContact O-N 2.89Å; S679-L681 PolarHBondContact O-N 3.27Å; S679-N682 PolarHBondContact O-N 2.91Å; S679-S683 WeakPolarHBondContact O-CB 3.27Å; S679-S683 PolarHBondContact O-N 3.06Å; S679-S683 PolarHBondContact O-OG 2.81Å
680	A	95.6	Very high	94.4	Very high	44 Å²	44	49.1 Å²	49.1	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-62.5	-40.9	176.1	0	0	0	0	0	112.3	L440 P676 V677 A684	L440-A680 HydrophobicContact CD1-CB 4.08Å; P676-A680 WeakPolarHBondContact O-CB 3.2Å; P676-A680 PolarHBondContact O-N 2.81Å; V677-A680 PolarHBondContact O-N 3.5Å; A680-A684 PolarHBondContact O-N 2.97Å; A680-A684 VanDerWaalsContact O-N 3.11Å
681	L	97.1	Very high	94.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-68	-44.8	175.6	177.5	54.5	0	0	0	112.2	I410 V414 T426 L433 L434 L440 L444 V677 C678 S679 S683 A684 I685	I410-L681 HydrophobicContact CG2-CD2 3.48Å; I410-L681 VanDerWaalsContact CG2-CD2 3.48Å; I410-L681 HydrophobicContact CG2-CG 4.18Å; V414-L681 HydrophobicContact CG2-CD2 4.09Å; T426-L681 HydrophobicContact CG2-CD1 3.89Å; L433-L681 HydrophobicContact CD2-CD1 4.37Å; L434-L681 HydrophobicContact CD2-CD1 4.31Å; L440-L681 HydrophobicContact CD2-CD1 4.17Å; L444-L681 HydrophobicContact CD1-CD1 4.32Å; L444-L681 HydrophobicContact CD1-CD2 4.32Å; L444-L681 HydrophobicContact CD2-CD2 3.98Å; V677-L681 WeakPolarHBondContact O-CB 3.37Å; V677-L681 PolarHBondContact O-N 3.47Å; C678-L681 PolarHBondContact O-N 2.94Å; S679-L681 PolarHBondContact O-N 3.27Å; L681-S683 VanDerWaalsContact C-N 3.32Å; L681-S683 PolarHBondContact O-N 3.45Å; L681-A684 PolarHBondContact O-N 2.8Å; L681-I685 HydrophobicContact CD1-CD1 4.04Å; L681-I685 HydrophobicContact CD1-CG1 4.27Å; L681-I685 HydrophobicContact CG-CD1 4.05Å; L681-I685 WeakPolarHBondContact O-CG1 3.29Å; L681-I685 PolarHBondContact O-N 3.48Å
682	N	96.4	Very high	94.1	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-41.5	176.1	-172.9	61.5	0	0	0	111.8	H379 R407 C678 S679 A684 I685 L686	H379-N682 PolarHBondContact CE1-ND2 3.47Å; H379-N682 PolarHBondContact O-ND2 3.47Å; R407-N682 WeakPolarHBondContact CD-OD1 3.49Å; R407-N682 PolarHBondContact NH1-OD1 3.03Å; C678-N682 WeakPolarHBondContact O-CB 3.49Å; C678-N682 PolarHBondContact O-N 3.21Å; S679-N682 PolarHBondContact O-N 2.91Å; N682-A684 PolarHBondContact O-N 3.31Å; N682-I685 PolarHBondContact O-N 3.07Å; N682-L686 WeakPolarHBondContact O-CG 3.29Å; N682-L686 PolarHBondContact O-N 2.83Å
683	S	95.3	Very high	94	Very high	17 Å²	17	50.6 Å²	50.6	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-56	-50.5	173.2	-54.8	0	0	0	0	111.3	S679 L681 I685 L686 E687 K693	S679-S683 WeakPolarHBondContact O-CB 3.27Å; S679-S683 PolarHBondContact O-N 3.06Å; S679-S683 PolarHBondContact O-OG 2.81Å; L681-S683 VanDerWaalsContact C-N 3.32Å; L681-S683 PolarHBondContact O-N 3.45Å; S683-I685 VanDerWaalsContact C-N 3.3Å; S683-I685 PolarHBondContact O-N 3.38Å; S683-L686 PolarHBondContact O-N 2.75Å; S683-L686 VanDerWaalsContact O-N 3.14Å; S683-E687 WeakPolarHBondContact O-CG 3.33Å; S683-E687 PolarHBondContact O-N 2.82Å; S683-K693 PolarHBondContact OG-O 2.93Å
684	A	96.2	Very high	93.8	Very high	6 Å²	6	51.6 Å²	51.6	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-28.3	-179.4	0	0	0	0	0	113.8	L433 L440 A680 L681 N682 T688	L433-A684 HydrophobicContact CD2-CB 4.19Å; L440-A684 HydrophobicContact CD2-CB 3.51Å; A680-A684 PolarHBondContact O-N 2.97Å; A680-A684 VanDerWaalsContact O-N 3.11Å; L681-A684 PolarHBondContact O-N 2.8Å; N682-A684 PolarHBondContact O-N 3.31Å; A684-T688 PolarHBondContact O-N 2.9Å
685	I	95.8	Very high	93.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-73.4	-38.1	172.8	-64.4	161.9	0	0	0	111.2	R407 I410 Y430 L433 L681 N682 S683 E687 T688 H689	R407-I685 HydrophobicContact CG-CG2 3.76Å; I410-I685 HydrophobicContact CD1-CD1 3.87Å; I410-I685 HydrophobicContact CG2-CD1 4.45Å; Y430-I685 HydrophobicContact CD1-CG2 4.21Å; Y430-I685 HydrophobicContact CD2-CD1 4.11Å; Y430-I685 HydrophobicContact CD2-CG1 3.91Å; Y430-I685 HydrophobicContact CD2-CG2 3.92Å; Y430-I685 HydrophobicContact CE1-CG2 3.78Å; Y430-I685 HydrophobicContact CE2-CB 4.42Å; Y430-I685 HydrophobicContact CE2-CD1 3.96Å; Y430-I685 HydrophobicContact CE2-CG1 4.04Å; Y430-I685 HydrophobicContact CE2-CG2 3.45Å; Y430-I685 VanDerWaalsContact CE2-CG2 3.45Å; Y430-I685 HydrophobicContact CG-CG2 4.27Å; L433-I685 HydrophobicContact CD1-CB 4.21Å; L433-I685 HydrophobicContact CD1-CG1 3.56Å; L681-I685 HydrophobicContact CD1-CD1 4.04Å; L681-I685 HydrophobicContact CD1-CG1 4.27Å; L681-I685 HydrophobicContact CG-CD1 4.05Å; L681-I685 WeakPolarHBondContact O-CG1 3.29Å; L681-I685 PolarHBondContact O-N 3.48Å; N682-I685 PolarHBondContact O-N 3.07Å; S683-I685 VanDerWaalsContact C-N 3.3Å; S683-I685 PolarHBondContact O-N 3.38Å; I685-E687 VanDerWaalsContact C-N 3.33Å; I685-T688 PolarHBondContact O-N 3.35Å; I685-T688 PolarHBondContact O-OG1 2.89Å; I685-H689 PolarHBondContact O-ND1 3.19Å
686	L	93.6	Very high	93.5	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-38.6	174.9	-69.1	168.5	0	0	0	111	H379 N682 S683 T688 H689 N690 L691	H379-L686 WeakPolarHBondContact CD2-CD1 3.48Å; H379-L686 WeakPolarHBondContact NE2-CD1 3.49Å; N682-L686 WeakPolarHBondContact O-CG 3.29Å; N682-L686 PolarHBondContact O-N 2.83Å; S683-L686 PolarHBondContact O-N 2.75Å; S683-L686 VanDerWaalsContact O-N 3.14Å; L686-T688 PolarHBondContact O-N 3.08Å; L686-H689 CarbonylContact O-C 3.51Å; L686-H689 PolarHBondContact O-N 2.97Å; L686-H689 VanDerWaalsContact O-N 3.08Å; L686-N690 PolarHBondContact O-N 2.84Å; L686-L691 HydrophobicContact CB-CB 3.93Å; L686-L691 HydrophobicContact CD2-CB 3.86Å; L686-L691 HydrophobicContact CD2-CD1 3.69Å; L686-L691 HydrophobicContact CD2-CG 4.44Å; L686-L691 HydrophobicContact CG-CB 4.49Å; L686-L691 WeakPolarHBondContact O-CB 3.39Å; L686-L691 PolarHBondContact O-N 2.98Å
687	E	91.8	Very high	93.4	Very high	69 Å²	69	47.6 Å²	47.6	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-58	-41.2	175.6	-73.6	177.6	-135.8	0	0	114.2	S683 I685 H689 N690 K693	S683-E687 WeakPolarHBondContact O-CG 3.33Å; S683-E687 PolarHBondContact O-N 2.82Å; I685-E687 VanDerWaalsContact C-N 3.33Å; E687-H689 PolarHBondContact O-N 2.83Å; E687-H689 VanDerWaalsContact O-N 3.08Å; E687-N690 PolarHBondContact O-N 3.28Å; E687-K693 HydrophobicContact CG-CD 4.21Å; E687-K693 HydrophobicContact CG-CG 3.64Å; E687-K693 WeakPolarHBondContact OE1-CD 3.39Å; E687-K693 VanDerWaalsContact OE1-CE 3.24Å; E687-K693 WeakPolarHBondContact OE1-CE 3.49Å; E687-K693 IonicContact OE1-NZ 2.76Å; E687-K693 PolarHBondContact OE1-NZ 3.07Å; E687-K693 WeakPolarHBondContact OE2-CE 3.41Å; E687-K693 IonicContact OE2-NZ 3.51Å; E687-K693 PolarHBondContact OE2-NZ 3.31Å
688	T	90.1	Very high	93.2	Very high	67 Å²	67	48.9 Å²	48.9	41%	0.411	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.7	179.2	54.7	0	0	0	0	113.4	L433 A684 I685 L686	L433-T688 HydrophobicContact CB-CG2 4.49Å; L433-T688 HydrophobicContact CD1-CG2 4Å; L433-T688 HydrophobicContact CG-CG2 4.08Å; A684-T688 PolarHBondContact O-N 2.9Å; I685-T688 PolarHBondContact O-N 3.35Å; I685-T688 PolarHBondContact O-OG1 2.89Å; L686-T688 PolarHBondContact O-N 3.08Å
689	H	88.2	Confident	93	Very high	87 Å²	87	51.9 Å²	51.9	40%	0.403	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	8.2	175.2	-57.2	81.7	0	0	0	112.6	Y430 I685 L686 E687 L691	Y430-H689 AromaticContact CD1-CE1 3.66Å; Y430-H689 AromaticContact CE1-CE1 3.42Å; Y430-H689 VanDerWaalsContact CE1-CE1 3.42Å; Y430-H689 WeakPolarHBondContact CE1-CE1 3.48Å; Y430-H689 AromaticContact CE1-NE2 3.96Å; I685-H689 PolarHBondContact O-ND1 3.19Å; L686-H689 CarbonylContact O-C 3.51Å; L686-H689 PolarHBondContact O-N 2.97Å; L686-H689 VanDerWaalsContact O-N 3.08Å; E687-H689 PolarHBondContact O-N 2.83Å; E687-H689 VanDerWaalsContact O-N 3.08Å; H689-L691 HydrophobicContact CB-CD1 4.11Å; H689-L691 HydrophobicContact CB-CG 4.11Å; H689-L691 PolarHBondContact O-N 2.92Å
690	N	90.1	Very high	92.9	Very high	156 Å²	156	51.2 Å²	51.2	83%	0.834	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	25.4	-172.4	-52	-78.9	0	0	0	114.3	L686 E687	L686-N690 PolarHBondContact O-N 2.84Å; E687-N690 PolarHBondContact O-N 3.28Å
691	L	91.4	Very high	92.7	Very high	54 Å²	54	52.4 Å²	52.4	28%	0.283	29%	0.287	S	S	.	.			trans	-86.8	154.8	174.9	-63.5	173.7	0	0	0	110.9	E399 L686 H689 K693	E399-L691 HydrophobicContact CB-CD1 4.46Å; E399-L691 HydrophobicContact CG-CD1 3.94Å; L686-L691 HydrophobicContact CB-CB 3.93Å; L686-L691 HydrophobicContact CD2-CB 3.86Å; L686-L691 HydrophobicContact CD2-CD1 3.69Å; L686-L691 HydrophobicContact CD2-CG 4.44Å; L686-L691 HydrophobicContact CG-CB 4.49Å; L686-L691 WeakPolarHBondContact O-CB 3.39Å; L686-L691 PolarHBondContact O-N 2.98Å; H689-L691 HydrophobicContact CB-CD1 4.11Å; H689-L691 HydrophobicContact CB-CG 4.11Å; H689-L691 PolarHBondContact O-N 2.92Å; L691-K693 PolarHBondContact O-N 3.48Å
692	P	90.2	Very high	92.5	Very high	79 Å²	79	54 Å²	54	51%	0.513	30%	0.304	S	S	.	.			trans	-60.1	128.6	-175.5	-25.8	35.5	0	0	0	113.7	H379 Q694	H379-P692 PolarHBondContact CD2-O 2.98Å; P692-Q694 PolarHBondContact O-N 3.41Å
693	K	91.7	Very high	92.4	Very high	115 Å²	115	60.2 Å²	60.2	50%	0.5	33%	0.333	S	S	.	.	S	Bend	trans	-53.3	-38.1	175.5	-60.3	-172.4	178.1	-121.4	0	112.8	H379 S683 E687 L691	H379-K693 PolarHBondContact NE2-O 2.97Å; S683-K693 PolarHBondContact OG-O 2.93Å; E687-K693 HydrophobicContact CG-CD 4.21Å; E687-K693 HydrophobicContact CG-CG 3.64Å; E687-K693 WeakPolarHBondContact OE1-CD 3.39Å; E687-K693 VanDerWaalsContact OE1-CE 3.24Å; E687-K693 WeakPolarHBondContact OE1-CE 3.49Å; E687-K693 IonicContact OE1-NZ 2.76Å; E687-K693 PolarHBondContact OE1-NZ 3.07Å; E687-K693 WeakPolarHBondContact OE2-CE 3.41Å; E687-K693 IonicContact OE2-NZ 3.51Å; E687-K693 PolarHBondContact OE2-NZ 3.31Å; L691-K693 PolarHBondContact O-N 3.48Å
694	Q	91.2	Very high	92.2	Very high	105 Å²	105	61.5 Å²	61.5	49%	0.491	34%	0.344	S	S	.	.	S	Bend	trans	-132.9	146.2	-177	-69.1	178.4	-22.9	0	0	109.4	P692 L699	P692-Q694 PolarHBondContact O-N 3.41Å; Q694-L699 HydrophobicContact CB-CD1 4.48Å; Q694-L699 HydrophobicContact CB-CD2 4.48Å; Q694-L699 HydrophobicContact CB-CG 4.21Å; Q694-L699 VanDerWaalsContact OE1-CD2 3.28Å
695	P	93	Very high	92	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.026	36%	0.363	C	S	.	.			trans	-70.8	143.5	175.9	29.5	-32.6	0	0	0	110.3	Y376 H379 L697 A698 L699	Y376-P695 HydrophobicContact CD2-CB 4.05Å; Y376-P695 HydrophobicContact CD2-CG 3.58Å; Y376-P695 HydrophobicContact CE2-CG 4.24Å; Y376-P695 HydrophobicContact CG-CG 4.45Å; H379-P695 HydrophobicContact CB-CB 4.19Å; P695-L697 PolarHBondContact O-N 2.89Å; P695-A698 HydrophobicContact CG-CB 4.02Å; P695-A698 PolarHBondContact O-N 2.99Å; P695-L699 PolarHBondContact O-N 2.68Å
696	P	93.5	Very high	91.8	Very high	53 Å²	53	70.3 Å²	70.3	34%	0.344	39%	0.39	S	S	.	.	H	α-helix	trans	-56	-27.3	-178.6	-28.4	36.6	0	0	0	114.8	M372 S375 L699 A700	M372-P696 HydrophobicContact CG-CB 4.24Å; S375-P696 VanDerWaalsContact OG-CD 3.27Å; S375-P696 WeakPolarHBondContact OG-CD 3.46Å; P696-L699 PolarHBondContact O-N 2.93Å; P696-A700 WeakPolarHBondContact O-CB 3.34Å; P696-A700 PolarHBondContact O-N 3.38Å
697	L	92.8	Very high	91.8	Very high	55 Å²	55	73.3 Å²	73.3	29%	0.288	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-48.1	174.6	-176.3	59.1	0	0	0	112.5	M372 Y376 P695 L699 A700 M701	M372-L697 HydrophobicContact CB-CB 4.35Å; M372-L697 HydrophobicContact CE-CB 4.43Å; M372-L697 HydrophobicContact CE-CD1 4.1Å; Y376-L697 HydrophobicContact CD2-CD2 4.25Å; Y376-L697 HydrophobicContact CG-CD2 4.28Å; P695-L697 PolarHBondContact O-N 2.89Å; L697-L699 VanDerWaalsContact C-N 3.32Å; L697-L699 PolarHBondContact O-N 3.11Å; L697-A700 PolarHBondContact O-N 3.45Å; L697-M701 HydrophobicContact CG-SD 4.39Å; L697-M701 WeakPolarHBondContact O-CG 3.33Å; L697-M701 PolarHBondContact O-N 3.48Å
698	A	91.2	Very high	91.7	Very high	42 Å²	42	71.9 Å²	71.9	35%	0.347	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-34.7	178.6	0	0	0	0	0	111.9	P695 G702	P695-A698 HydrophobicContact CG-CB 4.02Å; P695-A698 PolarHBondContact O-N 2.99Å; A698-G702 PolarHBondContact O-N 3.47Å
699	L	92.9	Very high	91.6	Very high	73 Å²	73	69.9 Å²	69.9	38%	0.382	40%	0.397	S	S	.	.	H	α-helix	trans	-64.4	-45	173.1	-72.2	169.5	0	0	0	111.6	Q694 P695 P696 L697 G702 Q703	Q694-L699 HydrophobicContact CB-CD1 4.48Å; Q694-L699 HydrophobicContact CB-CD2 4.48Å; Q694-L699 HydrophobicContact CB-CG 4.21Å; Q694-L699 VanDerWaalsContact OE1-CD2 3.28Å; P695-L699 PolarHBondContact O-N 2.68Å; P696-L699 PolarHBondContact O-N 2.93Å; L697-L699 VanDerWaalsContact C-N 3.32Å; L697-L699 PolarHBondContact O-N 3.11Å; L699-G702 PolarHBondContact O-N 3.43Å; L699-Q703 WeakPolarHBondContact O-CB 3.49Å; L699-Q703 VanDerWaalsContact O-CG 3.23Å; L699-Q703 WeakPolarHBondContact O-CG 3.43Å; L699-Q703 PolarHBondContact O-N 3.29Å
700	A	92.9	Very high	91.7	Very high	37 Å²	37	70.4 Å²	70.4	31%	0.306	40%	0.402	S	S	.	.	H	α-helix	trans	-62.8	-43.4	177.9	0	0	0	0	0	112.2	M372 P696 L697 Q703 A704	M372-A700 HydrophobicContact CE-CB 3.68Å; P696-A700 WeakPolarHBondContact O-CB 3.34Å; P696-A700 PolarHBondContact O-N 3.38Å; L697-A700 PolarHBondContact O-N 3.45Å; A700-Q703 PolarHBondContact O-N 2.71Å; A700-A704 WeakPolarHBondContact O-CB 3.36Å; A700-A704 PolarHBondContact O-N 2.74Å
701	M	91.5	Very high	91.8	Very high	70 Å²	70	65.6 Å²	65.6	35%	0.345	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-48.3	174	-69.3	170.3	64.5	0	0	111.7	L697 Q703 A704 T705 L728	L697-M701 HydrophobicContact CG-SD 4.39Å; L697-M701 WeakPolarHBondContact O-CG 3.33Å; L697-M701 PolarHBondContact O-N 3.48Å; M701-Q703 VanDerWaalsContact C-N 3.32Å; M701-Q703 PolarHBondContact O-N 3.13Å; M701-A704 PolarHBondContact O-N 2.64Å; M701-T705 PolarHBondContact O-N 2.96Å; M701-T705 VanDerWaalsContact O-N 3.09Å; M701-T705 PolarHBondContact O-OG1 3.39Å; M701-L728 HydrophobicContact CE-CD1 3.59Å; M701-L728 HydrophobicContact CE-CD2 3.63Å; M701-L728 HydrophobicContact CE-CG 4.28Å
702	G	91.9	Very high	91.6	Very high	36 Å²	36	63.9 Å²	63.9	37%	0.371	37%	0.369	S	S	.	.	H	α-helix	trans	-61.5	-38.9	176.8	0	0	0	0	0	113	A698 L699 Q706	A698-G702 PolarHBondContact O-N 3.47Å; L699-G702 PolarHBondContact O-N 3.43Å; G702-Q706 WeakPolarHBondContact O-CG 3.39Å; G702-Q706 PolarHBondContact O-N 3.39Å
703	Q	94.3	Very high	91.4	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	37%	0.367	S	S	*	.	H	α-helix	trans	-66.4	-38.9	175	-74.8	171.2	-1.5	0	0	112.3	L699 A700 M701 Q706 C707	L699-Q703 WeakPolarHBondContact O-CB 3.49Å; L699-Q703 VanDerWaalsContact O-CG 3.23Å; L699-Q703 WeakPolarHBondContact O-CG 3.43Å; L699-Q703 PolarHBondContact O-N 3.29Å; A700-Q703 PolarHBondContact O-N 2.71Å; M701-Q703 VanDerWaalsContact C-N 3.32Å; M701-Q703 PolarHBondContact O-N 3.13Å; Q703-Q706 PolarHBondContact O-N 2.74Å; Q703-C707 VanDerWaalsContact O-CB 3.31Å; Q703-C707 WeakPolarHBondContact O-CB 3.26Å; Q703-C707 PolarHBondContact O-N 3.35Å
704	A	92.9	Very high	91.3	Very high	43 Å²	43	64.7 Å²	64.7	36%	0.355	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-46.5	175.3	0	0	0	0	0	111.8	A700 M701 Q706 C707 L708 V724	A700-A704 WeakPolarHBondContact O-CB 3.36Å; A700-A704 PolarHBondContact O-N 2.74Å; M701-A704 PolarHBondContact O-N 2.64Å; A704-Q706 VanDerWaalsContact C-N 3.34Å; A704-Q706 PolarHBondContact O-N 3.33Å; A704-C707 WeakPolarHBondContact O-CB 3.43Å; A704-C707 PolarHBondContact O-N 3.06Å; A704-C707 VanDerWaalsContact O-N 3.11Å; A704-L708 PolarHBondContact O-N 2.81Å; A704-V724 HydrophobicContact CB-CG2 3.85Å
705	T	91.3	Very high	91.1	Very high	74 Å²	74	61.5 Å²	61.5	45%	0.454	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-41.5	175.3	-55	0	0	0	0	112	M701 C707 L708 G709 V724	M701-T705 PolarHBondContact O-N 2.96Å; M701-T705 VanDerWaalsContact O-N 3.09Å; M701-T705 PolarHBondContact O-OG1 3.39Å; T705-C707 VanDerWaalsContact C-N 3.35Å; T705-L708 PolarHBondContact O-N 3.32Å; T705-G709 PolarHBondContact O-N 2.8Å; T705-V724 WeakPolarHBondContact OG1-CG2 3.27Å
706	Q	91.8	Very high	90.9	Very high	119 Å²	119	64.8 Å²	64.8	56%	0.556	38%	0.384	S	S	*	.	H	α-helix	trans	-68.8	-32	174.6	-69	-59.3	-45.9	0	0	112.8	G702 Q703 A704 G709 L710	G702-Q706 WeakPolarHBondContact O-CG 3.39Å; G702-Q706 PolarHBondContact O-N 3.39Å; Q703-Q706 PolarHBondContact O-N 2.74Å; A704-Q706 VanDerWaalsContact C-N 3.34Å; A704-Q706 PolarHBondContact O-N 3.33Å; Q706-G709 PolarHBondContact O-N 2.76Å; Q706-L710 WeakPolarHBondContact O-CG 3.29Å; Q706-L710 PolarHBondContact O-N 2.83Å
707	C	93.2	Very high	90.7	Very high	67 Å²	67	62.4 Å²	62.4	45%	0.453	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-45.6	174.7	-168.8	0	0	0	0	111.3	Q703 A704 T705 G709 L710 M711	Q703-C707 VanDerWaalsContact O-CB 3.31Å; Q703-C707 WeakPolarHBondContact O-CB 3.26Å; Q703-C707 PolarHBondContact O-N 3.35Å; A704-C707 WeakPolarHBondContact O-CB 3.43Å; A704-C707 PolarHBondContact O-N 3.06Å; A704-C707 VanDerWaalsContact O-N 3.11Å; T705-C707 VanDerWaalsContact C-N 3.35Å; C707-G709 VanDerWaalsContact C-N 3.33Å; C707-G709 PolarHBondContact O-N 2.88Å; C707-L710 CarbonylContact O-C 3.6Å; C707-L710 WeakPolarHBondContact O-CA 3.43Å; C707-L710 WeakPolarHBondContact O-CB 3.37Å; C707-L710 PolarHBondContact O-N 2.89Å; C707-L710 VanDerWaalsContact O-N 3.08Å; C707-M711 WeakPolarHBondContact O-CG 3.45Å; C707-M711 PolarHBondContact O-N 3.44Å
708	L	90.2	Very high	90.6	Very high	40 Å²	40	61.3 Å²	61.3	21%	0.209	37%	0.366	C	S	.	.	H	α-helix	trans	-58.6	-42.8	173.9	-68.5	167	0	0	0	112	A704 T705 L710 M711 A712 C719 A722 V724	A704-L708 PolarHBondContact O-N 2.81Å; T705-L708 PolarHBondContact O-N 3.32Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 3.18Å; L708-M711 HydrophobicContact CD2-SD 4.24Å; L708-M711 WeakPolarHBondContact O-CB 3.25Å; L708-M711 PolarHBondContact O-N 3.2Å; L708-A712 PolarHBondContact O-N 2.84Å; L708-C719 HydrophobicContact CD2-CB 4.07Å; L708-A722 WeakPolarHBondContact CD1-O 3.45Å; L708-A722 HydrophobicContact CD2-CB 4.4Å; L708-V724 HydrophobicContact CD1-CG2 3.97Å
709	G	87.4	Confident	90.6	Very high	25 Å²	25	59.7 Å²	59.7	26%	0.258	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-32.3	173.9	0	0	0	0	0	114	T705 Q706 C707 R713	T705-G709 PolarHBondContact O-N 2.8Å; Q706-G709 PolarHBondContact O-N 2.76Å; C707-G709 VanDerWaalsContact C-N 3.33Å; C707-G709 PolarHBondContact O-N 2.88Å; G709-R713 PolarHBondContact O-N 3.35Å; G709-R713 PolarHBondContact O-NE 3.48Å
710	L	91.2	Very high	90.5	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	34%	0.336	S	S	.	.	H	α-helix	trans	-72.7	-38	171.8	-72	167.5	0	0	0	112	Q706 C707 L708 A712 R713 S714	Q706-L710 WeakPolarHBondContact O-CG 3.29Å; Q706-L710 PolarHBondContact O-N 2.83Å; C707-L710 CarbonylContact O-C 3.6Å; C707-L710 WeakPolarHBondContact O-CA 3.43Å; C707-L710 WeakPolarHBondContact O-CB 3.37Å; C707-L710 PolarHBondContact O-N 2.89Å; C707-L710 VanDerWaalsContact O-N 3.08Å; L708-L710 VanDerWaalsContact C-N 3.33Å; L708-L710 PolarHBondContact O-N 3.18Å; L710-A712 VanDerWaalsContact C-N 3.35Å; L710-R713 PolarHBondContact O-N 3.15Å; L710-S714 VanDerWaalsContact O-CB 3.29Å; L710-S714 WeakPolarHBondContact O-CB 3.39Å; L710-S714 PolarHBondContact O-N 3.23Å; L710-S714 PolarHBondContact O-OG 2.93Å
711	M	91.4	Very high	90.5	Very high	55 Å²	55	55 Å²	55	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-60.1	-44.8	173.3	-70.7	170.6	69.3	0	0	111.1	C707 L708 S714 G715 I716 C719	C707-M711 WeakPolarHBondContact O-CG 3.45Å; C707-M711 PolarHBondContact O-N 3.44Å; L708-M711 HydrophobicContact CD2-SD 4.24Å; L708-M711 WeakPolarHBondContact O-CB 3.25Å; L708-M711 PolarHBondContact O-N 3.2Å; M711-S714 CarbonylContact O-C 3.55Å; M711-S714 PolarHBondContact O-N 2.84Å; M711-S714 VanDerWaalsContact O-N 3.11Å; M711-G715 PolarHBondContact O-N 2.57Å; M711-I716 HydrophobicContact CB-CB 4.13Å; M711-I716 HydrophobicContact CB-CD1 4.29Å; M711-I716 HydrophobicContact CE-CG2 3.93Å; M711-I716 HydrophobicContact CG-CD1 4.2Å; M711-I716 WeakPolarHBondContact O-CB 3.3Å; M711-I716 PolarHBondContact O-N 2.78Å; M711-C719 HydrophobicContact CB-CB 3.82Å; M711-C719 HydrophobicContact CE-CB 4.22Å
712	A	86.5	Confident	90.3	Very high	18 Å²	18	52.2 Å²	52.2	15%	0.149	31%	0.311	C	S	.	.	H	α-helix	trans	-56.1	-53.8	175.6	0	0	0	0	0	112.2	A211 L708 L710 S714 G715 C719	A211-A712 HydrophobicContact CB-CB 3.98Å; L708-A712 PolarHBondContact O-N 2.84Å; L710-A712 VanDerWaalsContact C-N 3.35Å; A712-S714 PolarHBondContact O-N 2.97Å; A712-G715 PolarHBondContact O-N 3.3Å; A712-G715 VanDerWaalsContact O-N 3.14Å; A712-C719 WeakPolarHBondContact CA-SG 3.3Å; A712-C719 PolarHBondContact N-SG 2.84Å; A712-C719 VanDerWaalsContact N-SG 3.43Å
713	R	86.2	Confident	89.9	Confident	126 Å²	126	53.2 Å²	53.2	48%	0.475	31%	0.31	S	S	.	.	H	α-helix	trans	-64	-25.6	175.2	-76.8	-176.7	-74.3	-96	-1	113.8	E162 G709 L710 G715	E162-R713 IonicContact OE1-CZ 3.21Å; E162-R713 IonicContact OE1-NH1 3.2Å; E162-R713 PolarHBondContact OE1-NH1 3.22Å; E162-R713 VanDerWaalsContact OE2-CD 3.28Å; E162-R713 WeakPolarHBondContact OE2-CD 3.34Å; E162-R713 IonicContact OE2-CZ 2.73Å; E162-R713 IonicContact OE2-NE 3.15Å; E162-R713 IonicContact OE2-NH1 2.88Å; E162-R713 PolarHBondContact OE2-NH1 3.41Å; G709-R713 PolarHBondContact O-N 3.35Å; G709-R713 PolarHBondContact O-NE 3.48Å; L710-R713 PolarHBondContact O-N 3.15Å; R713-G715 VanDerWaalsContact C-N 3.27Å; R713-G715 PolarHBondContact O-N 3.39Å
714	S	89.5	Confident	89.5	Confident	86 Å²	86	48.2 Å²	48.2	60%	0.601	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	0.2	176.3	-54.3	0	0	0	0	113.7	L710 M711 A712	L710-S714 VanDerWaalsContact O-CB 3.29Å; L710-S714 WeakPolarHBondContact O-CB 3.39Å; L710-S714 PolarHBondContact O-N 3.23Å; L710-S714 PolarHBondContact O-OG 2.93Å; M711-S714 CarbonylContact O-C 3.55Å; M711-S714 PolarHBondContact O-N 2.84Å; M711-S714 VanDerWaalsContact O-N 3.11Å; A712-S714 PolarHBondContact O-N 2.97Å
715	G	87	Confident	89.1	Confident	37 Å²	37	53.5 Å²	53.5	38%	0.381	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	10.1	178.8	0	0	0	0	0	115.3	M711 A712 R713 G717	M711-G715 PolarHBondContact O-N 2.57Å; A712-G715 PolarHBondContact O-N 3.3Å; A712-G715 VanDerWaalsContact O-N 3.14Å; R713-G715 VanDerWaalsContact C-N 3.27Å; R713-G715 PolarHBondContact O-N 3.39Å; G715-G717 PolarHBondContact O-N 3.47Å
716	I	89.7	Confident	88.7	Confident	74 Å²	74	53 Å²	53	38%	0.379	30%	0.3	S	S	.	.			trans	-88.6	87.7	-172.7	-54.2	175.8	0	0	0	109.8	M711 S718 C719	M711-I716 HydrophobicContact CB-CB 4.13Å; M711-I716 HydrophobicContact CB-CD1 4.29Å; M711-I716 HydrophobicContact CE-CG2 3.93Å; M711-I716 HydrophobicContact CG-CD1 4.2Å; M711-I716 WeakPolarHBondContact O-CB 3.3Å; M711-I716 PolarHBondContact O-N 2.78Å; I716-S718 WeakPolarHBondContact CG2-OG 3.45Å; I716-S718 PolarHBondContact O-N 2.9Å; I716-C719 PolarHBondContact O-N 3.3Å; I716-C719 PolarHBondContact O-SG 3.11Å
717	G	88.9	Confident	88	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.2	-15.8	-171.7	0	0	0	0	0	116.7	G213 L287 G715 C719 A720	G213-G717 WeakPolarHBondContact CA-O 3.44Å; L287-G717 PolarHBondContact O-N 2.98Å; G715-G717 PolarHBondContact O-N 3.47Å; G717-C719 VanDerWaalsContact C-N 3.25Å; G717-C719 PolarHBondContact O-N 2.99Å; G717-A720 PolarHBondContact O-N 2.86Å
718	S	91.4	Very high	87.2	Confident	33 Å²	33	53.3 Å²	53.3	23%	0.231	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-66.4	-23.1	176	49.1	0	0	0	0	113.8	I716 A720 F721	I716-S718 WeakPolarHBondContact CG2-OG 3.45Å; I716-S718 PolarHBondContact O-N 2.9Å; S718-A720 PolarHBondContact O-N 2.89Å; S718-F721 PolarHBondContact O-N 3.2Å; S718-F721 VanDerWaalsContact O-N 3.12Å
719	C	90.5	Very high	85.6	Confident	7 Å²	7	62.5 Å²	62.5	5%	0.047	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65.5	-16.9	177.7	71.6	0	0	0	0	113.5	L708 M711 A712 I716 G717 F721	L708-C719 HydrophobicContact CD2-CB 4.07Å; M711-C719 HydrophobicContact CB-CB 3.82Å; M711-C719 HydrophobicContact CE-CB 4.22Å; A712-C719 WeakPolarHBondContact CA-SG 3.3Å; A712-C719 PolarHBondContact N-SG 2.84Å; A712-C719 VanDerWaalsContact N-SG 3.43Å; I716-C719 PolarHBondContact O-N 3.3Å; I716-C719 PolarHBondContact O-SG 3.11Å; G717-C719 VanDerWaalsContact C-N 3.25Å; G717-C719 PolarHBondContact O-N 2.99Å; C719-F721 PolarHBondContact O-N 2.67Å
720	A	91.9	Very high	85.5	Confident	7 Å²	7	64.4 Å²	64.4	6%	0.058	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-69.7	-13.3	175	0	0	0	0	0	113.5	A157 A211 G717 S718	A157-A720 HydrophobicContact CB-CB 4.28Å; A211-A720 WeakPolarHBondContact O-CB 3.11Å; G717-A720 PolarHBondContact O-N 2.86Å; S718-A720 PolarHBondContact O-N 2.89Å
721	F	92.1	Very high	85.2	Confident	5 Å²	5	62.6 Å²	62.6	2%	0.022	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-115.7	14.3	-176.6	-65.1	-77.4	0	0	0	113.4	I214 I288 M342 R346 I349 S718 C719	I214-F721 HydrophobicContact CB-CZ 4.12Å; I214-F721 HydrophobicContact CD1-CE2 4.15Å; I214-F721 HydrophobicContact CD1-CZ 3.73Å; I214-F721 HydrophobicContact CG1-CE2 3.97Å; I214-F721 HydrophobicContact CG1-CZ 3.84Å; I288-F721 HydrophobicContact CD1-CD2 3.8Å; I288-F721 HydrophobicContact CD1-CE2 3.79Å; I288-F721 HydrophobicContact CG1-CD2 4.48Å; I288-F721 HydrophobicContact CG1-CE2 4.47Å; M342-F721 HydrophobicContact CB-CE1 4.19Å; M342-F721 HydrophobicContact CG-CE1 4.44Å; M342-F721 HydrophobicContact CG-CZ 4.42Å; M342-F721 WeakPolarHBondContact O-CE1 3Å; R346-F721 HydrophobicContact CB-CD1 3.89Å; R346-F721 HydrophobicContact CG-CD1 4.49Å; I349-F721 HydrophobicContact CB-CB 4.03Å; I349-F721 HydrophobicContact CG1-CB 4.07Å; I349-F721 HydrophobicContact CG2-CB 4.1Å; S718-F721 PolarHBondContact O-N 3.2Å; S718-F721 VanDerWaalsContact O-N 3.12Å; C719-F721 PolarHBondContact O-N 2.67Å
722	A	87.4	Confident	84.9	Confident	12 Å²	12	63.1 Å²	63.1	10%	0.099	33%	0.334	C	S	.	.			trans	-141.1	119.4	172.7	0	0	0	0	0	109.6	I353 L708	I353-A722 HydrophobicContact CD1-CB 3.67Å; L708-A722 WeakPolarHBondContact CD1-O 3.45Å; L708-A722 HydrophobicContact CD2-CB 4.4Å
723	T	84.1	Confident	84.8	Confident	57 Å²	57	65.7 Å²	65.7	35%	0.35	34%	0.344	S	S	.	.			trans	-110.2	163.8	165.8	78.4	0	0	0	0	109.6	E725 D726 Y727	T723-E725 VanDerWaalsContact C-N 3.28Å; T723-E725 PolarHBondContact OG1-N 3.21Å; T723-D726 WeakPolarHBondContact CA-OD2 3.49Å; T723-D726 VanDerWaalsContact CB-OD2 3.28Å; T723-D726 WeakPolarHBondContact CB-OD2 3.33Å; T723-D726 WeakPolarHBondContact CG2-OD2 3.42Å; T723-D726 PolarHBondContact N-OD2 2.79Å; T723-D726 PolarHBondContact OG1-N 3.04Å; T723-D726 VanDerWaalsContact OG1-N 3.12Å; T723-D726 PolarHBondContact OG1-OD2 2.76Å; T723-Y727 VanDerWaalsContact O-CD2 3.27Å; T723-Y727 WeakPolarHBondContact O-CD2 3.12Å; T723-Y727 WeakPolarHBondContact O-CE2 3.16Å
724	V	85.6	Confident	84.7	Confident	28 Å²	28	61.9 Å²	61.9	17%	0.17	34%	0.336	C	S	.	.	S	Bend	trans	-72.5	-28.2	169.8	-176.1	0	0	0	0	110.5	A704 T705 L708 D726 Y727 L728	A704-V724 HydrophobicContact CB-CG2 3.85Å; T705-V724 WeakPolarHBondContact OG1-CG2 3.27Å; L708-V724 HydrophobicContact CD1-CG2 3.97Å; V724-D726 VanDerWaalsContact C-N 3.31Å; V724-D726 PolarHBondContact O-N 3.5Å; V724-Y727 PolarHBondContact O-N 3.05Å; V724-Y727 VanDerWaalsContact O-N 3.13Å; V724-L728 HydrophobicContact CG1-CD1 4.16Å; V724-L728 HydrophobicContact CG1-CG 4.47Å; V724-L728 WeakPolarHBondContact O-CG 3.4Å
725	E	84.5	Confident	84.4	Confident	155 Å²	155	60.3 Å²	60.3	72%	0.724	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-66.6	-30.6	-178	-63.9	175.9	-170.6	0	0	112.6	T723 Y727 L728	T723-E725 VanDerWaalsContact C-N 3.28Å; T723-E725 PolarHBondContact OG1-N 3.21Å; E725-Y727 PolarHBondContact O-N 2.97Å; E725-L728 PolarHBondContact O-N 3.32Å
726	D	81.5	Confident	84.2	Confident	64 Å²	64	62 Å²	62	34%	0.342	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.1	-11	172.9	-59.3	-59.8	0	0	0	113.5	T723 V724	T723-D726 WeakPolarHBondContact CA-OD2 3.49Å; T723-D726 VanDerWaalsContact CB-OD2 3.28Å; T723-D726 WeakPolarHBondContact CB-OD2 3.33Å; T723-D726 WeakPolarHBondContact CG2-OD2 3.42Å; T723-D726 PolarHBondContact N-OD2 2.79Å; T723-D726 PolarHBondContact OG1-N 3.04Å; T723-D726 VanDerWaalsContact OG1-N 3.12Å; T723-D726 PolarHBondContact OG1-OD2 2.76Å; V724-D726 VanDerWaalsContact C-N 3.31Å; V724-D726 PolarHBondContact O-N 3.5Å
727	Y	78.7	Confident	83.7	Confident	95 Å²	95	61.1 Å²	61.1	37%	0.373	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-119	12	-178.1	-59.3	-105.2	0	0	0	112.8	Q350 I353 T723 V724 E725	Q350-Y727 PolarHBondContact NE2-OH 3.04Å; Q350-Y727 PolarHBondContact OE1-OH 3.38Å; I353-Y727 WeakPolarHBondContact CD1-OH 3.39Å; I353-Y727 HydrophobicContact CG2-CE1 4.29Å; I353-Y727 WeakPolarHBondContact CG2-OH 3.21Å; T723-Y727 VanDerWaalsContact O-CD2 3.27Å; T723-Y727 WeakPolarHBondContact O-CD2 3.12Å; T723-Y727 WeakPolarHBondContact O-CE2 3.16Å; V724-Y727 PolarHBondContact O-N 3.05Å; V724-Y727 VanDerWaalsContact O-N 3.13Å; E725-Y727 PolarHBondContact O-N 2.97Å
728	L	75.3	Confident	83.3	Confident	97 Å²	97	66 Å²	66	51%	0.508	33%	0.333	S	S	.	.			trans	-115.8	36.9	-176.7	-64	176	0	0	0	113	M701 V724 E725	M701-L728 HydrophobicContact CE-CD1 3.59Å; M701-L728 HydrophobicContact CE-CD2 3.63Å; M701-L728 HydrophobicContact CE-CG 4.28Å; V724-L728 HydrophobicContact CG1-CD1 4.16Å; V724-L728 HydrophobicContact CG1-CG 4.47Å; V724-L728 WeakPolarHBondContact O-CG 3.4Å; E725-L728 PolarHBondContact O-N 3.32Å
729	H	57.2	Low	82.6	Confident	232 Å²	232	69 Å²	69	100%	1.074	34%	0.342	S	S	*	.			trans	-71.4	0	177.7	-65	-27.5	0	0	0	113.6

Retrieved 729 of 729 residues in 326.6 ms (Link to these results)

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