A0A087XHJ9_POEFO Loading...

Angiopoietin-like 6

AlphaFold DB , UniProt , Accession A0A087XHJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	34.4	Very low	241 Å²	241	146.3 Å²	146.3	100%	1.187	83%	0.83	S	S	*	*				0	81.8	0	-77.4	177.4	173.3	0	0	106.2
2	D	34.3	Very low	34.3	Very low	167 Å²	167	149.3 Å²	149.3	89%	0.893	83%	0.827	S	S	*	*			trans	-128.7	116.8	175.6	-80.8	-45.6	0	0	0	106.4
3	S	32.9	Very low	34.2	Very low	110 Å²	110	152.5 Å²	152.5	77%	0.769	83%	0.828	S	S	*	*			trans	-137.7	89.1	171.2	57.8	0	0	0	0	108.1	L5	S3-L5 PolarHBondContact O-N 3.25Å
4	T	36.4	Very low	34.5	Very low	142 Å²	142	152.7 Å²	152.7	87%	0.871	83%	0.826	S	S	*	*			trans	-65.6	111.3	168.7	35.8	0	0	0	0	109.1	A6	T4-A6 PolarHBondContact O-N 3.45Å; T4-A6 VanDerWaalsContact O-N 3.11Å
5	L	35	Very low	34.6	Very low	159 Å²	159	153.3 Å²	153.3	83%	0.832	83%	0.827	S	S	*	*			trans	-68.3	104.6	173.7	-114.3	97.7	0	0	0	109.3	S3 T7	S3-L5 PolarHBondContact O-N 3.25Å; L5-T7 PolarHBondContact O-N 2.9Å
6	A	36.2	Very low	34.5	Very low	98 Å²	98	151.3 Å²	151.3	81%	0.81	83%	0.827	S	S	*	*			trans	-77.2	107.4	165.7	0	0	0	0	0	109.3	T4 S8	T4-A6 PolarHBondContact O-N 3.45Å; T4-A6 VanDerWaalsContact O-N 3.11Å; A6-S8 PolarHBondContact O-N 3.01Å
7	T	38.6	Very low	34.6	Very low	132 Å²	132	149.8 Å²	149.8	81%	0.81	82%	0.823	S	S	*	*			trans	-79.5	101	169.7	21.9	0	0	0	0	109.7	L5 L9	L5-T7 PolarHBondContact O-N 2.9Å; T7-L9 PolarHBondContact O-N 3.42Å
8	S	32.1	Very low	34.6	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	82%	0.818	S	S	*	*			trans	-74.5	116.1	172.6	-176	0	0	0	0	110.3	A6 K10	A6-S8 PolarHBondContact O-N 3.01Å; S8-K10 PolarHBondContact O-N 3.31Å
9	L	32.7	Very low	34.6	Very low	156 Å²	156	147 Å²	147	82%	0.817	82%	0.816	S	S	*	*			trans	-79.6	98.9	169.7	-134.8	90.4	0	0	0	108.4	T7	T7-L9 PolarHBondContact O-N 3.42Å
10	K	32.5	Very low	34.5	Very low	172 Å²	172	148.8 Å²	148.8	75%	0.748	82%	0.817	S	S	*	*			trans	-85.3	108.5	169.5	-78.1	-175.4	177.4	180	0	109.5	S8 F12	S8-K10 PolarHBondContact O-N 3.31Å; K10-F12 PolarHBondContact O-N 3.44Å
11	L	32.1	Very low	34.4	Very low	133 Å²	133	151.6 Å²	151.6	70%	0.696	82%	0.822	S	S	*	*			trans	-72.4	118.1	164.5	-100.4	95.4	0	0	0	109.1	F13	L11-F13 HydrophobicContact CD2-CE2 4.26Å
12	F	33.3	Very low	34.3	Very low	183 Å²	183	145.4 Å²	145.4	80%	0.803	81%	0.808	S	S	*	*			trans	-89.7	115	164	-93	-90.6	0	0	0	109.1	K10	K10-F12 PolarHBondContact O-N 3.44Å
13	F	33.7	Very low	34.2	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.833	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.2	118.9	166	-86.7	-87.3	0	0	0	108.8	L11	L11-F13 HydrophobicContact CD2-CE2 4.26Å
14	I	38.2	Very low	34.3	Very low	156 Å²	156	140.9 Å²	140.9	80%	0.8	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-100.4	120.2	166.9	-62.9	178.1	0	0	0	107.8	C16	I14-C16 PolarHBondContact O-N 3.28Å
15	L	36.3	Very low	34.1	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-60.6	125.6	170.7	-86.6	140.6	0	0	0	110.3	V17	L15-V17 PolarHBondContact O-N 2.87Å
16	C	32.8	Very low	34.1	Very low	122 Å²	122	137 Å²	137	82%	0.824	80%	0.801	S	S	*	*			trans	-65.2	114.4	165.7	-100.7	0	0	0	0	109.6	I14	I14-C16 PolarHBondContact O-N 3.28Å
17	V	35.9	Very low	34	Very low	126 Å²	126	135.7 Å²	135.7	76%	0.764	80%	0.797	S	S	*	*			trans	-94.2	109.3	163.5	177.3	0	0	0	0	107.4	L15 T19	L15-V17 PolarHBondContact O-N 2.87Å; V17-T19 HydrophobicContact CG1-CG2 4.25Å; V17-T19 PolarHBondContact O-N 3.09Å
18	T	34.1	Very low	34	Very low	118 Å²	118	138.7 Å²	138.7	72%	0.724	81%	0.807	S	S	*	*			trans	-82	100	170.6	40.1	0	0	0	0	109.5	H20	T18-H20 PolarHBondContact O-N 3.3Å
19	T	35.7	Very low	34.3	Very low	128 Å²	128	143.5 Å²	143.5	79%	0.785	82%	0.815	S	S	*	*			trans	-81.7	103.7	163.8	53.1	0	0	0	0	109	V17	V17-T19 HydrophobicContact CG1-CG2 4.25Å; V17-T19 PolarHBondContact O-N 3.09Å
20	H	32.9	Very low	34.6	Very low	183 Å²	183	140.8 Å²	140.8	85%	0.847	82%	0.816	S	S	*	*			trans	-75.2	123.5	167.8	-93.8	-76.2	0	0	0	109.9	T18	T18-H20 PolarHBondContact O-N 3.3Å
21	K	30.8	Very low	35	Very low	208 Å²	208	136.3 Å²	136.3	90%	0.904	82%	0.818	S	S	*	*			trans	-122	136.7	159.8	-130.8	177.9	-176.1	-179.8	0	108.8
22	A	35	Very low	35.4	Very low	110 Å²	110	141.6 Å²	141.6	91%	0.909	83%	0.829	S	S	*	*			trans	-67.5	144.5	-168	0	0	0	0	0	114.2
23	G	31.2	Very low	35.7	Very low	80 Å²	80	137.6 Å²	137.6	83%	0.825	82%	0.822	S	S	*	*			trans	170.7	121.7	170.4	0	0	0	0	0	112.1
24	A	34.2	Very low	36.1	Very low	103 Å²	103	133.8 Å²	133.8	85%	0.851	82%	0.819	S	S	*	*			trans	-45.6	156.6	-169.6	0	0	0	0	0	120.2
25	S	32.7	Very low	36.5	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	82%	0.816	S	S	*	*			trans	86.5	114	143.5	-178.2	0	0	0	0	120.7
26	S	35.8	Very low	36.7	Very low	114 Å²	114	133.6 Å²	133.6	80%	0.797	81%	0.812	S	S	*	*			trans	80.6	119.7	146.9	73.4	0	0	0	0	120.4
27	G	33.1	Very low	37	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	81%	0.811	S	S	*	*			trans	89.9	97	153.7	0	0	0	0	0	117	K29	G27-K29 PolarHBondContact O-N 2.84Å
28	L	39.7	Very low	37.7	Very low	196 Å²	196	137.9 Å²	137.9	100%	1.026	81%	0.812	S	S	*	*			trans	-61.6	97.6	163.3	-88.1	116.2	0	0	0	110
29	K	37	Very low	38	Very low	199 Å²	199	137.9 Å²	137.9	87%	0.865	81%	0.812	S	S	*	*			trans	-106.6	122.9	161.1	-76.9	-177.5	178.3	175.4	0	108.3	G27 G31	G27-K29 PolarHBondContact O-N 2.84Å; K29-G31 PolarHBondContact O-N 3.5Å
30	A	40.8	Very low	38.2	Very low	100 Å²	100	136.8 Å²	136.8	83%	0.826	81%	0.807	S	S	*	*			trans	-49.1	124.1	174.8	0	0	0	0	0	110.5	R32	A30-R32 PolarHBondContact O-N 2.93Å; A30-R32 VanDerWaalsContact O-N 3.08Å
31	G	40.5	Very low	38.7	Very low	77 Å²	77	136.8 Å²	136.8	79%	0.794	81%	0.807	S	S	*	*			trans	-60.7	111.3	178.5	0	0	0	0	0	110.6	K29 C33	K29-G31 PolarHBondContact O-N 3.5Å; G31-C33 PolarHBondContact O-N 3.13Å
32	R	39.1	Very low	39.5	Very low	245 Å²	245	135.4 Å²	135.4	93%	0.925	80%	0.804	S	S	*	*			trans	-72.5	114.2	168.7	-78.5	-178.8	169.4	169.2	-3.6	108.1	A30 S34	A30-R32 PolarHBondContact O-N 2.93Å; A30-R32 VanDerWaalsContact O-N 3.08Å; R32-S34 PolarHBondContact O-N 3.42Å
33	C	39.5	Very low	40	Very low	99 Å²	99	138.6 Å²	138.6	67%	0.669	80%	0.798	S	S	*	*			trans	-67.3	114.9	165.5	-69.6	0	0	0	0	108.2	G31 Y35	G31-C33 PolarHBondContact O-N 3.13Å; C33-Y35 HydrophobicContact CB-CE2 4.01Å
34	S	43.8	Very low	40.9	Very low	109 Å²	109	141.2 Å²	141.2	76%	0.762	79%	0.791	S	S	*	*			trans	-90.9	123.5	167.4	59.1	0	0	0	0	109.1	R32	R32-S34 PolarHBondContact O-N 3.42Å
35	Y	45.7	Very low	41.6	Very low	191 Å²	191	142.9 Å²	142.9	75%	0.749	79%	0.791	S	S	*	*			trans	-94.9	125.5	173.1	-66.3	-87.7	0	0	0	109.2	C33	C33-Y35 HydrophobicContact CB-CE2 4.01Å
36	T	40.7	Very low	42.5	Very low	122 Å²	122	140.2 Å²	140.2	75%	0.748	78%	0.78	S	S	*	*			trans	-106.5	114.6	173	-49.9	0	0	0	0	108.3	I38	T36-I38 PolarHBondContact O-N 3.47Å
37	F	38.6	Very low	43.2	Very low	184 Å²	184	139.6 Å²	139.6	81%	0.807	78%	0.782	S	S	*	*			trans	-79.2	112.1	172.7	-64.7	-88	0	0	0	108.8	V39	F37-V39 PolarHBondContact O-N 3.08Å
38	I	50.3	Low	43.7	Very low	154 Å²	154	142.3 Å²	142.3	79%	0.79	78%	0.779	S	S	*	*			trans	-86.9	99.6	168.5	-57.3	176.3	0	0	0	106.6	T36 P40	T36-I38 PolarHBondContact O-N 3.47Å; I38-P40 WeakPolarHBondContact O-CD 3.42Å
39	V	40.1	Very low	43.9	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.715	77%	0.77	S	S	*	*			trans	-75.4	120.3	170	-176.3	0	0	0	0	107.1	F37 Q41	F37-V39 PolarHBondContact O-N 3.08Å; V39-Q41 PolarHBondContact O-N 3.21Å
40	P	40.4	Very low	44.3	Very low	105 Å²	105	136.1 Å²	136.1	68%	0.682	76%	0.764	S	S	*	*			trans	-62.8	124.7	176.7	23.4	-29.4	0	0	0	108.7	I38 Q42	I38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-Q42 PolarHBondContact O-N 3.18Å
41	Q	43.6	Very low	44.4	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	76%	0.756	S	S	*	*			trans	-61.1	104.3	169.4	-77.6	-171.8	-15.5	0	0	108.1	V39 K43	V39-Q41 PolarHBondContact O-N 3.21Å; Q41-K43 PolarHBondContact O-N 2.96Å
42	Q	47.1	Very low	44.9	Very low	179 Å²	179	139.9 Å²	139.9	84%	0.836	76%	0.757	S	S	*	*			trans	-65.9	103	163.5	-74.8	-173	-24.5	0	0	107.1	P40 I44	P40-Q42 PolarHBondContact O-N 3.18Å; Q42-I44 PolarHBondContact O-N 3.19Å
43	K	45.4	Very low	45.2	Very low	178 Å²	178	135.1 Å²	135.1	77%	0.774	75%	0.745	S	S	*	*			trans	-65	105.7	163.9	-81.5	-175.7	175.9	-179.7	0	107	Q41 T45	Q41-K43 PolarHBondContact O-N 2.96Å; K43-T45 VanDerWaalsContact C-N 3.3Å; K43-T45 PolarHBondContact O-N 3.05Å
44	I	51.1	Low	45.9	Very low	134 Å²	134	136.2 Å²	136.2	69%	0.687	75%	0.754	S	S	*	*			trans	-68.6	93.7	169.4	-57.3	171.6	0	0	0	106.5	Q42 G46 L48	Q42-I44 PolarHBondContact O-N 3.19Å; I44-G46 PolarHBondContact O-N 3.06Å; I44-L48 HydrophobicContact CG2-CD1 4.47Å
45	T	49.1	Very low	46.3	Very low	139 Å²	139	135.7 Å²	135.7	85%	0.853	75%	0.75	S	S	*	*			trans	-88.9	84.3	167.6	47	0	0	0	0	108.3	K43	K43-T45 VanDerWaalsContact C-N 3.3Å; K43-T45 PolarHBondContact O-N 3.05Å
46	G	52.1	Low	47	Very low	49 Å²	49	134.5 Å²	134.5	51%	0.505	75%	0.754	S	S	.	*	S	Bend	trans	-169	140.3	173	0	0	0	0	0	108.6	I44 L48	I44-G46 PolarHBondContact O-N 3.06Å; G46-L48 PolarHBondContact O-N 3.2Å; G46-L48 VanDerWaalsContact O-N 3.12Å
47	A	50.7	Low	47.7	Very low	100 Å²	100	132.9 Å²	132.9	83%	0.826	75%	0.745	S	S	*	*			trans	-57.3	118.5	-179.3	0	0	0	0	0	110.3	C49	A47-C49 PolarHBondContact O-N 3.43Å; A47-C49 VanDerWaalsContact O-N 3.14Å
48	L	42.5	Very low	49	Very low	128 Å²	128	128.8 Å²	128.8	67%	0.67	73%	0.732	S	S	*	*			trans	-75.8	97.1	170.8	-120.4	108	0	0	0	107.8	I44 G46 L50	I44-L48 HydrophobicContact CG2-CD1 4.47Å; G46-L48 PolarHBondContact O-N 3.2Å; G46-L48 VanDerWaalsContact O-N 3.12Å; L48-L50 HydrophobicContact CD2-CG 4.35Å; L48-L50 PolarHBondContact O-N 3.38Å
49	C	43.8	Very low	49.8	Very low	123 Å²	123	129.4 Å²	129.4	83%	0.831	73%	0.731	S	S	*	*			trans	-73.5	93.9	166.2	-74.2	0	0	0	0	108.6	A47 N51	A47-C49 PolarHBondContact O-N 3.43Å; A47-C49 VanDerWaalsContact O-N 3.14Å; C49-N51 PolarHBondContact O-N 2.9Å; C49-N51 VanDerWaalsContact O-N 3.15Å
50	L	45	Very low	51.4	Low	142 Å²	142	127.3 Å²	127.3	74%	0.743	72%	0.722	S	S	*	*			trans	-73.7	97.6	166.3	-80.6	157.7	0	0	0	108.2	L48 T52	L48-L50 HydrophobicContact CD2-CG 4.35Å; L48-L50 PolarHBondContact O-N 3.38Å; L50-T52 PolarHBondContact O-N 3.44Å
51	N	43.1	Very low	53	Low	122 Å²	122	128.3 Å²	128.3	65%	0.652	72%	0.717	S	S	*	*			trans	-74.6	109	168.1	-162.9	7.5	0	0	0	108	C49 H53	C49-N51 PolarHBondContact O-N 2.9Å; C49-N51 VanDerWaalsContact O-N 3.15Å; N51-H53 PolarHBondContact O-N 2.91Å
52	T	50.5	Low	54.6	Low	134 Å²	134	122.5 Å²	122.5	82%	0.822	69%	0.694	S	S	*	*			trans	-82.1	19.3	179	50.7	0	0	0	0	113.4	L50	L50-T52 PolarHBondContact O-N 3.44Å
53	H	46.6	Very low	56.1	Low	145 Å²	145	116.4 Å²	116.4	67%	0.671	67%	0.674	S	S	*	*	S	Bend	trans	-89	121.1	166.7	-74.5	-71.6	0	0	0	109.1	N51 S55	N51-H53 PolarHBondContact O-N 2.91Å; H53-S55 PolarHBondContact O-N 3.23Å
54	S	53.4	Low	58	Low	121 Å²	121	110.7 Å²	110.7	85%	0.846	66%	0.661	S	S	*	*			trans	-63.5	78.5	166.4	56.8	0	0	0	0	109.2	M56	S54-M56 PolarHBondContact O-N 2.88Å
55	S	53.3	Low	59.3	Low	99 Å²	99	110.4 Å²	110.4	69%	0.692	66%	0.66	S	S	*	*			trans	-70	113.1	164.8	56.5	0	0	0	0	106.6	H53	H53-S55 PolarHBondContact O-N 3.23Å
56	M	60.1	Low	61	Low	166 Å²	166	108.9 Å²	108.9	82%	0.818	64%	0.643	S	S	*	*			trans	-43.8	132	167.2	-72.5	-70.5	-78.1	0	0	108.7	S54 N58	S54-M56 PolarHBondContact O-N 2.88Å; M56-N58 PolarHBondContact O-N 3.44Å; M56-N58 VanDerWaalsContact O-N 3.13Å
57	P	55.9	Low	62.8	Low	88 Å²	88	110.9 Å²	110.9	57%	0.571	64%	0.641	S	S	*	*			trans	-57	126.5	-177.1	22.5	-31.4	0	0	0	108.3	Q59 V62	P57-Q59 PolarHBondContact O-N 3.38Å; P57-V62 HydrophobicContact CB-CG2 3.85Å
58	N	64	Low	64.5	Low	98 Å²	98	108.3 Å²	108.3	52%	0.524	62%	0.621	S	S	.	*			trans	-60.2	105.2	178.8	-151.8	3.2	0	0	0	106.7	M56 S60 E61 V62	M56-N58 PolarHBondContact O-N 3.44Å; M56-N58 VanDerWaalsContact O-N 3.13Å; N58-S60 PolarHBondContact O-N 3.49Å; N58-E61 HydrophobicContact CB-CB 4.47Å; N58-E61 HydrophobicContact CB-CG 4.33Å; N58-E61 PolarHBondContact O-N 3.35Å; N58-V62 PolarHBondContact O-N 3.06Å
59	Q	68	Low	66.6	Low	167 Å²	167	106.8 Å²	106.8	78%	0.78	61%	0.612	S	S	*	*	H	α-helix	trans	-57.1	-26.5	-167.7	-77.8	-177.7	-13.6	0	0	112.2	P57 A63	P57-Q59 PolarHBondContact O-N 3.38Å; Q59-A63 WeakPolarHBondContact O-CB 3.47Å; Q59-A63 PolarHBondContact O-N 3Å
60	S	73	Confident	68.8	Low	74 Å²	74	108.7 Å²	108.7	52%	0.517	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-41.7	175.1	53.8	0	0	0	0	113.6	N58 A63 A64	N58-S60 PolarHBondContact O-N 3.49Å; S60-A63 PolarHBondContact O-N 3.46Å; S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.04Å
61	E	73.9	Confident	71	Confident	126 Å²	126	109.9 Å²	109.9	59%	0.589	60%	0.597	S	S	*	*	H	α-helix	trans	-72.3	-40.2	179.2	-71	179.5	-178.1	0	0	111.4	N58 A63 A64 L65	N58-E61 HydrophobicContact CB-CB 4.47Å; N58-E61 HydrophobicContact CB-CG 4.33Å; N58-E61 PolarHBondContact O-N 3.35Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A64 PolarHBondContact O-N 3.29Å; E61-L65 WeakPolarHBondContact O-CG 3.47Å; E61-L65 PolarHBondContact O-N 3.15Å
62	V	77.9	Confident	73.1	Confident	60 Å²	60	109.8 Å²	109.8	36%	0.364	59%	0.592	S	S	.	*	H	α-helix	trans	-64.3	-41	174.2	178.8	0	0	0	0	110.8	P57 N58 L65 Q66	P57-V62 HydrophobicContact CB-CG2 3.85Å; N58-V62 PolarHBondContact O-N 3.06Å; V62-L65 PolarHBondContact O-N 3.03Å; V62-Q66 WeakPolarHBondContact O-CB 3.33Å; V62-Q66 VanDerWaalsContact O-CG 3.29Å; V62-Q66 WeakPolarHBondContact O-CG 3.4Å; V62-Q66 PolarHBondContact O-N 2.73Å
63	A	79.9	Confident	75	Confident	51 Å²	51	108 Å²	108	42%	0.421	58%	0.575	S	S	.	*	H	α-helix	trans	-64.9	-39.5	175.2	0	0	0	0	0	112.3	Q59 S60 E61 Q66 L67	Q59-A63 WeakPolarHBondContact O-CB 3.47Å; Q59-A63 PolarHBondContact O-N 3Å; S60-A63 PolarHBondContact O-N 3.46Å; E61-A63 VanDerWaalsContact C-N 3.34Å; A63-Q66 PolarHBondContact O-N 3.07Å; A63-L67 WeakPolarHBondContact O-CB 3.46Å; A63-L67 PolarHBondContact O-N 3.18Å
64	A	83.7	Confident	77.2	Confident	59 Å²	59	108.5 Å²	108.5	49%	0.488	58%	0.575	S	S	.	*	H	α-helix	trans	-64.7	-42	176.3	0	0	0	0	0	112	S60 E61 L67 A68	S60-A64 WeakPolarHBondContact O-CB 3.47Å; S60-A64 PolarHBondContact O-N 3.04Å; E61-A64 PolarHBondContact O-N 3.29Å; A64-L67 PolarHBondContact O-N 3.48Å; A64-A68 WeakPolarHBondContact O-CB 3.41Å; A64-A68 PolarHBondContact O-N 3.28Å
65	L	79.3	Confident	78.8	Confident	127 Å²	127	108.8 Å²	108.8	67%	0.665	56%	0.563	S	S	*	*	H	α-helix	trans	-65.6	-41.6	174.9	-74.9	168.4	0	0	0	112	E61 V62 L67 A68 L69	E61-L65 WeakPolarHBondContact O-CG 3.47Å; E61-L65 PolarHBondContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.03Å; L65-L67 VanDerWaalsContact C-N 3.31Å; L65-L67 PolarHBondContact O-N 2.93Å; L65-A68 PolarHBondContact O-N 3.01Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 PolarHBondContact O-N 2.78Å
66	Q	84.6	Confident	80.2	Confident	108 Å²	108	109 Å²	109	51%	0.505	56%	0.556	S	S	.	*	H	α-helix	trans	-62.8	-38.1	174.5	-75.5	175.8	-7.7	0	0	112.1	V62 A63 R70	V62-Q66 WeakPolarHBondContact O-CB 3.33Å; V62-Q66 VanDerWaalsContact O-CG 3.29Å; V62-Q66 WeakPolarHBondContact O-CG 3.4Å; V62-Q66 PolarHBondContact O-N 2.73Å; A63-Q66 PolarHBondContact O-N 3.07Å; Q66-R70 WeakPolarHBondContact O-CG 3.44Å; Q66-R70 PolarHBondContact O-N 2.89Å
67	L	88.9	Confident	81.7	Confident	90 Å²	90	107 Å²	107	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-43.3	175	-166.3	85.1	0	0	0	111.5	A63 A64 L65 R70 R71	A63-L67 WeakPolarHBondContact O-CB 3.46Å; A63-L67 PolarHBondContact O-N 3.18Å; A64-L67 PolarHBondContact O-N 3.48Å; L65-L67 VanDerWaalsContact C-N 3.31Å; L65-L67 PolarHBondContact O-N 2.93Å; L67-R70 PolarHBondContact O-N 3.33Å; L67-R71 WeakPolarHBondContact O-CG 3.34Å; L67-R71 PolarHBondContact O-N 3Å
68	A	86.7	Confident	83.3	Confident	47 Å²	47	110.3 Å²	110.3	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.6	0	0	0	0	0	111.7	A64 L65 R70 R71 Q72	A64-A68 WeakPolarHBondContact O-CB 3.41Å; A64-A68 PolarHBondContact O-N 3.28Å; L65-A68 PolarHBondContact O-N 3.01Å; A68-R70 PolarHBondContact O-N 3.37Å; A68-R71 WeakPolarHBondContact O-CB 3.47Å; A68-R71 PolarHBondContact O-N 3.49Å; A68-Q72 PolarHBondContact O-N 3.34Å
69	L	87.6	Confident	84.1	Confident	95 Å²	95	110.5 Å²	110.5	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-62.1	-43.9	176.4	-174	66	0	0	0	111.6	L65 R71 Q72 Q73	L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 PolarHBondContact O-N 2.78Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.93Å; L69-Q72 PolarHBondContact O-N 3.5Å; L69-Q73 WeakPolarHBondContact O-CG 3.48Å; L69-Q73 PolarHBondContact O-N 3.31Å
70	R	90.3	Very high	84.8	Confident	163 Å²	163	108.1 Å²	108.1	62%	0.615	54%	0.539	S	S	*	.	H	α-helix	trans	-62.6	-36.3	175	-75	177.6	-177.2	174.7	2.8	112.5	Q66 L67 A68 K74	Q66-R70 WeakPolarHBondContact O-CG 3.44Å; Q66-R70 PolarHBondContact O-N 2.89Å; L67-R70 PolarHBondContact O-N 3.33Å; A68-R70 PolarHBondContact O-N 3.37Å; R70-K74 PolarHBondContact O-N 2.85Å; R70-K74 VanDerWaalsContact O-N 3.13Å
71	R	90.9	Very high	85.3	Confident	168 Å²	168	108 Å²	108	63%	0.634	54%	0.538	S	S	*	.	H	α-helix	trans	-66.2	-43.6	174.3	-74.6	177.8	-176.8	179.7	1.3	111.4	L67 A68 L69 K74 Q75	L67-R71 WeakPolarHBondContact O-CG 3.34Å; L67-R71 PolarHBondContact O-N 3Å; A68-R71 WeakPolarHBondContact O-CB 3.47Å; A68-R71 PolarHBondContact O-N 3.49Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.93Å; R71-K74 PolarHBondContact O-N 3.48Å; R71-Q75 PolarHBondContact O-N 3.3Å; R71-Q75 VanDerWaalsContact O-N 3.08Å
72	Q	87.3	Confident	85.8	Confident	120 Å²	120	107 Å²	107	56%	0.561	53%	0.533	S	S	*	.	H	α-helix	trans	-65.2	-39.5	176.3	-76.7	-169.7	-33.5	0	0	112.4	A68 L69 Q75 L76	A68-Q72 PolarHBondContact O-N 3.34Å; L69-Q72 PolarHBondContact O-N 3.5Å; Q72-Q75 PolarHBondContact O-N 3.4Å; Q72-L76 PolarHBondContact O-N 3.1Å
73	Q	89.1	Confident	85.7	Confident	97 Å²	97	110.4 Å²	110.4	45%	0.453	55%	0.547	S	S	.	.	H	α-helix	trans	-59.6	-46.6	174.5	-77.1	174.3	-26.9	0	0	111.8	L69 Q75 L76 E77	L69-Q73 WeakPolarHBondContact O-CG 3.48Å; L69-Q73 PolarHBondContact O-N 3.31Å; Q73-Q75 VanDerWaalsContact C-N 3.3Å; Q73-Q75 PolarHBondContact O-N 2.92Å; Q73-L76 PolarHBondContact O-N 2.77Å; Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.3Å
74	K	92.6	Very high	85.8	Confident	154 Å²	154	115 Å²	115	67%	0.67	56%	0.56	S	S	*	*	H	α-helix	trans	-61.3	-36.5	174.9	-79.9	-172.7	174.5	-173.7	0	113.4	R70 R71 K78	R70-K74 PolarHBondContact O-N 2.85Å; R70-K74 VanDerWaalsContact O-N 3.13Å; R71-K74 PolarHBondContact O-N 3.48Å; K74-K78 WeakPolarHBondContact O-CB 3.35Å; K74-K78 PolarHBondContact O-N 3.01Å; K74-K78 VanDerWaalsContact O-N 3.14Å
75	Q	88.3	Confident	85.8	Confident	128 Å²	128	119.5 Å²	119.5	60%	0.598	57%	0.571	S	S	*	*	H	α-helix	trans	-68.1	-40.3	175.7	-77.7	-178.4	-45.2	0	0	111.9	R71 Q72 Q73 K78 L79	R71-Q75 PolarHBondContact O-N 3.3Å; R71-Q75 VanDerWaalsContact O-N 3.08Å; Q72-Q75 PolarHBondContact O-N 3.4Å; Q73-Q75 VanDerWaalsContact C-N 3.3Å; Q73-Q75 PolarHBondContact O-N 2.92Å; Q75-K78 PolarHBondContact O-N 3.08Å; Q75-L79 PolarHBondContact O-N 3.27Å
76	L	83.2	Confident	85.8	Confident	103 Å²	103	119 Å²	119	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-44.7	175.8	-83.6	163.5	0	0	0	111.9	Q72 Q73 K78 L79 Q80	Q72-L76 PolarHBondContact O-N 3.1Å; Q73-L76 PolarHBondContact O-N 2.77Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 2.88Å; L76-L79 PolarHBondContact O-N 2.98Å; L76-Q80 WeakPolarHBondContact O-CB 3.5Å; L76-Q80 WeakPolarHBondContact O-CG 3.5Å; L76-Q80 PolarHBondContact O-N 3.49Å
77	E	89.7	Confident	85.7	Confident	125 Å²	125	115.6 Å²	115.6	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-60.4	-41.5	176	-73.9	171.6	178	0	0	111.8	Q73 Q80 S81	Q73-E77 WeakPolarHBondContact O-CG 3.37Å; Q73-E77 PolarHBondContact O-N 3.3Å; E77-Q80 PolarHBondContact O-N 3.08Å; E77-S81 PolarHBondContact O-N 2.9Å
78	K	90.6	Very high	85.6	Confident	156 Å²	156	115 Å²	115	68%	0.678	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-43.2	176.5	-171.6	177.3	179.8	-178.7	0	112.1	K74 Q75 L76 Q82	K74-K78 WeakPolarHBondContact O-CB 3.35Å; K74-K78 PolarHBondContact O-N 3.01Å; K74-K78 VanDerWaalsContact O-N 3.14Å; Q75-K78 PolarHBondContact O-N 3.08Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 2.88Å; K78-Q82 PolarHBondContact O-N 3.09Å; K78-Q82 VanDerWaalsContact O-N 3.16Å
79	L	81.3	Confident	85.6	Confident	102 Å²	102	117.8 Å²	117.8	53%	0.534	57%	0.57	S	S	.	*	H	α-helix	trans	-66.3	-40.4	176.8	-81.7	160.6	0	0	0	111.9	Q75 L76 Q82 M83	Q75-L79 PolarHBondContact O-N 3.27Å; L76-L79 PolarHBondContact O-N 2.98Å; L79-Q82 PolarHBondContact O-N 3.27Å; L79-M83 WeakPolarHBondContact O-CG 3.22Å; L79-M83 PolarHBondContact O-N 3.23Å
80	Q	81.3	Confident	85.3	Confident	117 Å²	117	115.1 Å²	115.1	55%	0.547	56%	0.562	S	S	.	*	H	α-helix	trans	-61.7	-46.6	176.2	-77.9	176.7	-23	0	0	111.7	L76 E77 Q82 M83 E84	L76-Q80 WeakPolarHBondContact O-CB 3.5Å; L76-Q80 WeakPolarHBondContact O-CG 3.5Å; L76-Q80 PolarHBondContact O-N 3.49Å; E77-Q80 PolarHBondContact O-N 3.08Å; Q80-Q82 VanDerWaalsContact C-N 3.29Å; Q80-Q82 PolarHBondContact O-N 3.46Å; Q80-M83 PolarHBondContact O-N 3.02Å; Q80-E84 WeakPolarHBondContact O-CG 3.46Å; Q80-E84 PolarHBondContact O-N 3.1Å
81	S	85.4	Confident	84.9	Confident	71 Å²	71	109.5 Å²	109.5	50%	0.497	55%	0.55	S	S	.	*	H	α-helix	trans	-59.5	-39.6	176.2	176	0	0	0	0	112.4	E77 E84 H85	E77-S81 PolarHBondContact O-N 2.9Å; S81-E84 PolarHBondContact O-N 3.32Å; S81-H85 PolarHBondContact O-N 3.43Å
82	Q	83.9	Confident	84.9	Confident	105 Å²	105	107.3 Å²	107.3	49%	0.491	55%	0.547	S	S	.	.	H	α-helix	trans	-68	-41.2	177.2	-167.4	171.5	-13.5	0	0	111.9	K78 L79 Q80 E84 H85 E86	K78-Q82 PolarHBondContact O-N 3.09Å; K78-Q82 VanDerWaalsContact O-N 3.16Å; L79-Q82 PolarHBondContact O-N 3.27Å; Q80-Q82 VanDerWaalsContact C-N 3.29Å; Q80-Q82 PolarHBondContact O-N 3.46Å; Q82-E84 VanDerWaalsContact C-N 3.35Å; Q82-E84 PolarHBondContact O-N 3.26Å; Q82-H85 PolarHBondContact O-N 3.16Å; Q82-E86 PolarHBondContact O-N 3.36Å
83	M	76.1	Confident	84.8	Confident	133 Å²	133	104.4 Å²	104.4	66%	0.655	54%	0.537	S	S	*	.	H	α-helix	trans	-64	-36.5	174.9	-75.6	-173.1	63.2	0	0	113	L79 Q80 G87	L79-M83 WeakPolarHBondContact O-CG 3.22Å; L79-M83 PolarHBondContact O-N 3.23Å; Q80-M83 PolarHBondContact O-N 3.02Å; M83-G87 PolarHBondContact O-N 2.81Å
84	E	80.6	Confident	84.4	Confident	148 Å²	148	107.2 Å²	107.2	69%	0.692	54%	0.544	S	S	*	.	H	α-helix	trans	-64.9	-40.9	175.3	-74.9	178.8	173.2	0	0	111.6	Q80 S81 Q82 G87 S88	Q80-E84 WeakPolarHBondContact O-CG 3.46Å; Q80-E84 PolarHBondContact O-N 3.1Å; S81-E84 PolarHBondContact O-N 3.32Å; Q82-E84 VanDerWaalsContact C-N 3.35Å; Q82-E84 PolarHBondContact O-N 3.26Å; E84-G87 PolarHBondContact O-N 3.26Å; E84-S88 PolarHBondContact O-N 3.28Å
85	H	83.2	Confident	84.2	Confident	153 Å²	153	102.5 Å²	102.5	71%	0.708	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-44.8	176.6	-129.4	73.7	0	0	0	112.1	S81 Q82 G87 S88 L89	S81-H85 PolarHBondContact O-N 3.43Å; Q82-H85 PolarHBondContact O-N 3.16Å; H85-G87 VanDerWaalsContact C-N 3.3Å; H85-G87 PolarHBondContact O-N 2.85Å; H85-S88 WeakPolarHBondContact O-CB 3.43Å; H85-S88 PolarHBondContact O-N 3.01Å; H85-L89 PolarHBondContact O-N 3.41Å
86	E	79.5	Confident	84	Confident	115 Å²	115	101.3 Å²	101.3	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-64.6	-35.1	174.1	-72.3	-179.6	-177.2	0	0	112	Q82 L89 A90	Q82-E86 PolarHBondContact O-N 3.36Å; E86-L89 PolarHBondContact O-N 3.26Å; E86-A90 VanDerWaalsContact O-CB 3.29Å; E86-A90 WeakPolarHBondContact O-CB 3.38Å; E86-A90 PolarHBondContact O-N 3.31Å
87	G	84	Confident	83.9	Confident	38 Å²	38	105 Å²	105	39%	0.392	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-41.4	173.7	0	0	0	0	0	112.9	M83 E84 H85 A90 A91	M83-G87 PolarHBondContact O-N 2.81Å; E84-G87 PolarHBondContact O-N 3.26Å; H85-G87 VanDerWaalsContact C-N 3.3Å; H85-G87 PolarHBondContact O-N 2.85Å; G87-A90 PolarHBondContact O-N 3.18Å; G87-A91 PolarHBondContact O-N 3.16Å
88	S	86.9	Confident	83.7	Confident	77 Å²	77	106.8 Å²	106.8	54%	0.538	54%	0.543	S	S	.	.	H	α-helix	trans	-63.6	-50	174.6	-172.1	0	0	0	0	111.5	E84 H85 A90 A91 E92	E84-S88 PolarHBondContact O-N 3.28Å; H85-S88 WeakPolarHBondContact O-CB 3.43Å; H85-S88 PolarHBondContact O-N 3.01Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 2.6Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 3.25Å; S88-E92 PolarHBondContact O-N 2.86Å
89	L	86	Confident	83.4	Confident	106 Å²	106	106 Å²	106	56%	0.555	54%	0.542	S	S	*	.	H	α-helix	trans	-58.8	-41.1	176.7	-176.7	65.7	0	0	0	111.7	H85 E86 A91 E92 V93	H85-L89 PolarHBondContact O-N 3.41Å; E86-L89 PolarHBondContact O-N 3.26Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 2.92Å; L89-E92 PolarHBondContact O-N 2.95Å; L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.95Å
90	A	80.4	Confident	83.7	Confident	38 Å²	38	103.9 Å²	103.9	31%	0.314	54%	0.535	S	S	.	.	H	α-helix	trans	-66.1	-31.7	176.6	0	0	0	0	0	113	E86 G87 S88 R94	E86-A90 VanDerWaalsContact O-CB 3.29Å; E86-A90 WeakPolarHBondContact O-CB 3.38Å; E86-A90 PolarHBondContact O-N 3.31Å; G87-A90 PolarHBondContact O-N 3.18Å; S88-A90 VanDerWaalsContact C-N 3.29Å; S88-A90 PolarHBondContact O-N 2.6Å; A90-R94 WeakPolarHBondContact O-CB 3.45Å; A90-R94 WeakPolarHBondContact O-CG 3.39Å; A90-R94 PolarHBondContact O-N 2.97Å; A90-R94 PolarHBondContact O-NE 2.7Å
91	A	83.8	Confident	83.4	Confident	46 Å²	46	101.6 Å²	101.6	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-70.2	-42.1	174.1	0	0	0	0	0	111.4	G87 S88 L89 R94 A95	G87-A91 PolarHBondContact O-N 3.16Å; S88-A91 WeakPolarHBondContact O-CB 3.46Å; S88-A91 PolarHBondContact O-N 3.25Å; L89-A91 VanDerWaalsContact C-N 3.31Å; L89-A91 PolarHBondContact O-N 2.92Å; A91-R94 WeakPolarHBondContact O-CB 3.45Å; A91-R94 PolarHBondContact O-N 2.76Å; A91-A95 PolarHBondContact O-N 2.9Å
92	E	90.6	Very high	83.3	Confident	121 Å²	121	99.7 Å²	99.7	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-44.2	177.8	-161.5	169.9	-155.9	0	0	111.8	S88 L89 R94 A95 L96	S88-E92 PolarHBondContact O-N 2.86Å; L89-E92 PolarHBondContact O-N 2.95Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 3.43Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 3.48Å; E92-A95 VanDerWaalsContact O-N 3.12Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 3.44Å
93	V	85.4	Confident	83.2	Confident	59 Å²	59	100.1 Å²	100.1	36%	0.358	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-37	173.5	171.9	0	0	0	0	111.9	L89 R97	L89-V93 WeakPolarHBondContact O-CG2 3.28Å; L89-V93 PolarHBondContact O-N 2.95Å; V93-R97 WeakPolarHBondContact O-CG 3.4Å; V93-R97 PolarHBondContact O-N 2.83Å
94	R	80.8	Confident	83.2	Confident	157 Å²	157	98.2 Å²	98.2	59%	0.592	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-39.8	174.4	-83.5	-176.2	-107.8	118.1	-1.9	112	A90 A91 E92 R97 K98	A90-R94 WeakPolarHBondContact O-CB 3.45Å; A90-R94 WeakPolarHBondContact O-CG 3.39Å; A90-R94 PolarHBondContact O-N 2.97Å; A90-R94 PolarHBondContact O-NE 2.7Å; A91-R94 WeakPolarHBondContact O-CB 3.45Å; A91-R94 PolarHBondContact O-N 2.76Å; E92-R94 VanDerWaalsContact C-N 3.29Å; E92-R94 PolarHBondContact O-N 3.43Å; R94-R97 PolarHBondContact O-N 3.24Å; R94-K98 PolarHBondContact O-N 3.05Å; R94-K98 VanDerWaalsContact O-N 3.09Å
95	A	87	Confident	83	Confident	54 Å²	54	94 Å²	94	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-48.2	175.3	0	0	0	0	0	111.2	A91 E92 R97 K98 E99	A91-A95 PolarHBondContact O-N 2.9Å; E92-A95 WeakPolarHBondContact O-CB 3.47Å; E92-A95 PolarHBondContact O-N 3.48Å; E92-A95 VanDerWaalsContact O-N 3.12Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 2.79Å; A95-K98 WeakPolarHBondContact O-CB 3.28Å; A95-K98 PolarHBondContact O-N 3.24Å; A95-E99 PolarHBondContact O-N 3.34Å
96	L	84.6	Confident	83.1	Confident	103 Å²	103	95.2 Å²	95.2	54%	0.539	51%	0.505	S	S	.	.	H	α-helix	trans	-60.6	-39.2	177.2	-71.6	171.3	0	0	0	112.8	E92 K98 E99 S100	E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 3.44Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.87Å; L96-E99 PolarHBondContact O-N 3.24Å; L96-S100 VanDerWaalsContact O-CB 3.29Å; L96-S100 WeakPolarHBondContact O-CB 3.24Å; L96-S100 PolarHBondContact O-N 3.05Å
97	R	80.9	Confident	83.5	Confident	181 Å²	181	93.2 Å²	93.2	68%	0.683	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-39.2	173.6	-79.1	-178.3	-179.6	156.8	2.5	112.3	V93 R94 A95 S100 S101	V93-R97 WeakPolarHBondContact O-CG 3.4Å; V93-R97 PolarHBondContact O-N 2.83Å; R94-R97 PolarHBondContact O-N 3.24Å; A95-R97 VanDerWaalsContact C-N 3.34Å; A95-R97 PolarHBondContact O-N 2.79Å; R97-S100 PolarHBondContact O-N 2.85Å; R97-S101 WeakPolarHBondContact O-CB 3.45Å; R97-S101 PolarHBondContact O-N 2.92Å
98	K	84.6	Confident	83.1	Confident	163 Å²	163	93.9 Å²	93.9	71%	0.709	50%	0.499	S	S	*	.	H	α-helix	trans	-65.5	-45.1	177.4	-167.3	179.1	-179.7	-176	0	110.7	R94 A95 L96 S101 G102	R94-K98 PolarHBondContact O-N 3.05Å; R94-K98 VanDerWaalsContact O-N 3.09Å; A95-K98 WeakPolarHBondContact O-CB 3.28Å; A95-K98 PolarHBondContact O-N 3.24Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.87Å; K98-S101 PolarHBondContact O-N 3.2Å; K98-S101 PolarHBondContact O-OG 3.02Å; K98-G102 PolarHBondContact O-N 2.94Å
99	E	86.3	Confident	83	Confident	140 Å²	140	96.1 Å²	96.1	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-63	-45.1	174.7	-73	-171.1	161.3	0	0	112.5	A95 L96 S101 G102 M103	A95-E99 PolarHBondContact O-N 3.34Å; L96-E99 PolarHBondContact O-N 3.24Å; E99-S101 VanDerWaalsContact C-N 3.31Å; E99-S101 PolarHBondContact O-N 3.34Å; E99-G102 CarbonylContact O-C 3.59Å; E99-G102 PolarHBondContact O-N 3.46Å; E99-G102 VanDerWaalsContact O-N 3.13Å; E99-M103 WeakPolarHBondContact O-CB 3.15Å; E99-M103 PolarHBondContact O-N 2.93Å
100	S	86.1	Confident	83.2	Confident	56 Å²	56	96.2 Å²	96.2	39%	0.392	50%	0.501	S	S	.	.	H	α-helix	trans	-58.7	-42	175.2	179.5	0	0	0	0	111.9	L96 R97 G102 M103 N104	L96-S100 VanDerWaalsContact O-CB 3.29Å; L96-S100 WeakPolarHBondContact O-CB 3.24Å; L96-S100 PolarHBondContact O-N 3.05Å; R97-S100 PolarHBondContact O-N 2.85Å; S100-G102 PolarHBondContact O-N 3.4Å; S100-M103 PolarHBondContact O-N 3.31Å; S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 VanDerWaalsContact O-CG 3.26Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.41Å
101	S	75.9	Confident	83.3	Confident	70 Å²	70	102.1 Å²	102.1	49%	0.49	52%	0.517	S	S	.	.	H	α-helix	trans	-63.8	-40	175.4	77.6	0	0	0	0	112.5	R97 K98 E99 N104 S105	R97-S101 WeakPolarHBondContact O-CB 3.45Å; R97-S101 PolarHBondContact O-N 2.92Å; K98-S101 PolarHBondContact O-N 3.2Å; K98-S101 PolarHBondContact O-OG 3.02Å; E99-S101 VanDerWaalsContact C-N 3.31Å; E99-S101 PolarHBondContact O-N 3.34Å; S101-N104 PolarHBondContact O-N 3.5Å; S101-S105 PolarHBondContact O-N 2.76Å
102	G	83.1	Confident	83.2	Confident	30 Å²	30	101.6 Å²	101.6	31%	0.309	51%	0.513	S	S	.	.	H	α-helix	trans	-69.3	-33.6	176.1	0	0	0	0	0	113	K98 E99 S100 S105 R106	K98-G102 PolarHBondContact O-N 2.94Å; E99-G102 CarbonylContact O-C 3.59Å; E99-G102 PolarHBondContact O-N 3.46Å; E99-G102 VanDerWaalsContact O-N 3.13Å; S100-G102 PolarHBondContact O-N 3.4Å; G102-S105 PolarHBondContact O-OG 2.6Å; G102-R106 WeakPolarHBondContact O-CG 3.38Å; G102-R106 PolarHBondContact O-N 3.33Å; G102-R106 VanDerWaalsContact O-N 3.15Å
103	M	82.4	Confident	83	Confident	115 Å²	115	102.1 Å²	102.1	57%	0.567	52%	0.515	S	S	*	.	H	α-helix	trans	-70.6	-41.8	173.9	-171.2	164.3	62.7	0	0	111.1	E99 S100 S105 R106 I107	E99-M103 WeakPolarHBondContact O-CB 3.15Å; E99-M103 PolarHBondContact O-N 2.93Å; S100-M103 PolarHBondContact O-N 3.31Å; M103-S105 VanDerWaalsContact C-N 3.34Å; M103-S105 PolarHBondContact O-N 2.64Å; M103-R106 PolarHBondContact O-N 3.4Å; M103-I107 HydrophobicContact CG-CD1 4.07Å; M103-I107 VanDerWaalsContact O-CG1 3.28Å; M103-I107 WeakPolarHBondContact O-CG1 3.42Å; M103-I107 PolarHBondContact O-N 3.38Å
104	N	74.6	Confident	83.3	Confident	92 Å²	92	104 Å²	104	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-63.5	-38	175.5	-73.7	-28.7	0	0	0	112.5	S100 S101 I107 A108	S100-N104 WeakPolarHBondContact O-CB 3.43Å; S100-N104 VanDerWaalsContact O-CG 3.26Å; S100-N104 PolarHBondContact O-N 3.44Å; S100-N104 PolarHBondContact O-ND2 3.41Å; S101-N104 PolarHBondContact O-N 3.5Å; N104-I107 PolarHBondContact O-N 2.88Å; N104-A108 WeakPolarHBondContact O-CB 3.47Å; N104-A108 PolarHBondContact O-N 2.77Å
105	S	77.8	Confident	83.5	Confident	59 Å²	59	100 Å²	100	41%	0.413	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-40.6	175.3	67.7	0	0	0	0	112	S101 G102 M103 A108 Q109	S101-S105 PolarHBondContact O-N 2.76Å; G102-S105 PolarHBondContact O-OG 2.6Å; M103-S105 VanDerWaalsContact C-N 3.34Å; M103-S105 PolarHBondContact O-N 2.64Å; S105-A108 PolarHBondContact O-N 3.45Å; S105-Q109 WeakPolarHBondContact O-CG 3.01Å; S105-Q109 PolarHBondContact O-N 3.3Å
106	R	85.3	Confident	83.4	Confident	180 Å²	180	102.2 Å²	102.2	68%	0.679	51%	0.513	S	S	*	.	H	α-helix	trans	-61.9	-43.6	172.4	-76.8	178.3	176.4	-177	-0.4	112.4	G102 M103 A108 Q109 L110	G102-R106 WeakPolarHBondContact O-CG 3.38Å; G102-R106 PolarHBondContact O-N 3.33Å; G102-R106 VanDerWaalsContact O-N 3.15Å; M103-R106 PolarHBondContact O-N 3.4Å; R106-A108 VanDerWaalsContact C-N 3.34Å; R106-A108 PolarHBondContact O-N 3.48Å; R106-Q109 PolarHBondContact O-N 3.26Å; R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 2.81Å
107	I	87	Confident	83.6	Confident	72 Å²	72	102 Å²	102	37%	0.369	51%	0.51	S	S	.	.	H	α-helix	trans	-60.9	-45.6	175.7	-70.3	166.5	0	0	0	109.9	M103 N104 Q109 L110 Y111	M103-I107 HydrophobicContact CG-CD1 4.07Å; M103-I107 VanDerWaalsContact O-CG1 3.28Å; M103-I107 WeakPolarHBondContact O-CG1 3.42Å; M103-I107 PolarHBondContact O-N 3.38Å; N104-I107 PolarHBondContact O-N 2.88Å; I107-Q109 VanDerWaalsContact C-N 3.33Å; I107-Q109 PolarHBondContact O-N 3.21Å; I107-L110 PolarHBondContact O-N 2.76Å; I107-Y111 HydrophobicContact CG2-CD2 3.61Å; I107-Y111 HydrophobicContact CG2-CE2 3.7Å; I107-Y111 WeakPolarHBondContact O-CD2 3.46Å; I107-Y111 PolarHBondContact O-N 2.89Å
108	A	76.7	Confident	83.9	Confident	53 Å²	53	97.4 Å²	97.4	44%	0.438	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-41	176.9	0	0	0	0	0	112.4	N104 S105 R106 Y111 A112	N104-A108 WeakPolarHBondContact O-CB 3.47Å; N104-A108 PolarHBondContact O-N 2.77Å; S105-A108 PolarHBondContact O-N 3.45Å; R106-A108 VanDerWaalsContact C-N 3.34Å; R106-A108 PolarHBondContact O-N 3.48Å; A108-Y111 PolarHBondContact O-N 2.96Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.11Å
109	Q	83.9	Confident	83.6	Confident	123 Å²	123	90.6 Å²	90.6	58%	0.575	47%	0.473	S	S	*	.	H	α-helix	trans	-62.8	-45.6	174.8	-75.5	174.6	-17.2	0	0	112.1	S105 R106 I107 Y111 A112 Q113	S105-Q109 WeakPolarHBondContact O-CG 3.01Å; S105-Q109 PolarHBondContact O-N 3.3Å; R106-Q109 PolarHBondContact O-N 3.26Å; I107-Q109 VanDerWaalsContact C-N 3.33Å; I107-Q109 PolarHBondContact O-N 3.21Å; Q109-Y111 PolarHBondContact O-N 3.32Å; Q109-A112 PolarHBondContact O-N 2.98Å; Q109-Q113 WeakPolarHBondContact O-CG 3.41Å; Q109-Q113 PolarHBondContact O-N 3.21Å
110	L	89.3	Confident	83.6	Confident	108 Å²	108	88.5 Å²	88.5	57%	0.565	46%	0.462	S	S	*	.	H	α-helix	trans	-63.5	-40.8	176.8	-72.8	170.6	0	0	0	111.8	R106 I107 A112 Q113 L114	R106-L110 WeakPolarHBondContact O-CG 3.33Å; R106-L110 PolarHBondContact O-N 2.81Å; I107-L110 PolarHBondContact O-N 2.76Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-A112 PolarHBondContact O-N 3.24Å; L110-Q113 PolarHBondContact O-N 2.9Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 PolarHBondContact O-N 2.84Å
111	Y	83.8	Confident	83.6	Confident	163 Å²	163	91.2 Å²	91.2	64%	0.639	47%	0.467	S	S	*	.	H	α-helix	trans	-62.2	-41.1	173.4	-94.2	-76.7	0	0	0	111.9	I107 A108 Q109 L115	I107-Y111 HydrophobicContact CG2-CD2 3.61Å; I107-Y111 HydrophobicContact CG2-CE2 3.7Å; I107-Y111 WeakPolarHBondContact O-CD2 3.46Å; I107-Y111 PolarHBondContact O-N 2.89Å; A108-Y111 PolarHBondContact O-N 2.96Å; Q109-Y111 PolarHBondContact O-N 3.32Å; Y111-L115 WeakPolarHBondContact O-CB 3.38Å; Y111-L115 PolarHBondContact O-N 3.15Å
112	A	81.1	Confident	84	Confident	35 Å²	35	94.9 Å²	94.9	29%	0.289	47%	0.474	S	S	.	.	H	α-helix	trans	-65.1	-42.9	176.5	0	0	0	0	0	111.8	A108 Q109 L110 L115 H116	A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.11Å; Q109-A112 PolarHBondContact O-N 2.98Å; L110-A112 VanDerWaalsContact C-N 3.33Å; L110-A112 PolarHBondContact O-N 3.24Å; A112-L115 PolarHBondContact O-N 3.27Å; A112-H116 WeakPolarHBondContact O-CB 3.28Å; A112-H116 PolarHBondContact O-N 3Å
113	Q	86.8	Confident	84	Confident	131 Å²	131	95.8 Å²	95.8	61%	0.612	47%	0.472	S	S	*	.	H	α-helix	trans	-62	-49.6	175.6	-76.4	179.2	-22	0	0	111.9	Q109 L110 L115 H116 E117	Q109-Q113 WeakPolarHBondContact O-CG 3.41Å; Q109-Q113 PolarHBondContact O-N 3.21Å; L110-Q113 PolarHBondContact O-N 2.9Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 2.99Å; Q113-H116 WeakPolarHBondContact O-CB 3.47Å; Q113-H116 PolarHBondContact O-N 2.87Å; Q113-E117 PolarHBondContact O-N 2.93Å
114	L	90.8	Very high	84.2	Confident	100 Å²	100	95.2 Å²	95.2	52%	0.524	47%	0.468	S	S	.	.	H	α-helix	trans	-61.1	-43.9	178.6	-179.7	64.8	0	0	0	111.2	L110 H116 E117 V118	L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 PolarHBondContact O-N 2.84Å; L114-H116 VanDerWaalsContact C-N 3.33Å; L114-H116 PolarHBondContact O-N 3.12Å; L114-E117 PolarHBondContact O-N 3.16Å; L114-V118 HydrophobicContact CD1-CG2 4.39Å; L114-V118 HydrophobicContact CG-CG2 4.45Å; L114-V118 WeakPolarHBondContact O-CB 3.41Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.3Å; L114-V118 PolarHBondContact O-N 3.17Å
115	L	86.5	Confident	84.8	Confident	71 Å²	71	94.7 Å²	94.7	37%	0.372	47%	0.468	S	S	.	.	H	α-helix	trans	-63.9	-42	178.7	-170.4	68.3	0	0	0	110.9	Y111 A112 Q113 E117 V118 I119 F313	Y111-L115 WeakPolarHBondContact O-CB 3.38Å; Y111-L115 PolarHBondContact O-N 3.15Å; A112-L115 PolarHBondContact O-N 3.27Å; Q113-L115 VanDerWaalsContact C-N 3.32Å; Q113-L115 PolarHBondContact O-N 2.99Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 2.91Å; L115-V118 PolarHBondContact O-N 2.93Å; L115-I119 HydrophobicContact CD1-CD1 4.45Å; L115-I119 HydrophobicContact CD2-CD1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.78Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CB 3.47Å; L115-I119 VanDerWaalsContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CD1 3.19Å; L115-I119 WeakPolarHBondContact O-CG1 3.07Å; L115-I119 PolarHBondContact O-N 3Å; L115-F313 HydrophobicContact CD2-CD1 3.35Å; L115-F313 HydrophobicContact CD2-CE1 3.46Å; L115-F313 VanDerWaalsContact CD2-CE1 3.46Å
116	H	83	Confident	85.3	Confident	102 Å²	102	96.6 Å²	96.6	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-58.6	-44.5	174.3	-169.7	78.5	0	0	0	111.6	A112 Q113 L114 I119 H120	A112-H116 WeakPolarHBondContact O-CB 3.28Å; A112-H116 PolarHBondContact O-N 3Å; Q113-H116 WeakPolarHBondContact O-CB 3.47Å; Q113-H116 PolarHBondContact O-N 2.87Å; L114-H116 VanDerWaalsContact C-N 3.33Å; L114-H116 PolarHBondContact O-N 3.12Å; H116-I119 PolarHBondContact O-N 3.49Å; H116-H120 VanDerWaalsContact O-CB 3.26Å; H116-H120 WeakPolarHBondContact O-CB 3.48Å; H116-H120 PolarHBondContact O-N 2.84Å
117	E	89.6	Confident	85.4	Confident	99 Å²	99	94.3 Å²	94.3	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-65.7	-41.1	178.1	-160.1	-173.9	151.4	0	0	112.2	Q113 L114 L115 H120 K121	Q113-E117 PolarHBondContact O-N 2.93Å; L114-E117 PolarHBondContact O-N 3.16Å; L115-E117 VanDerWaalsContact C-N 3.32Å; L115-E117 PolarHBondContact O-N 2.91Å; E117-H120 PolarHBondContact O-N 2.99Å; E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.37Å; E117-K121 IonicContact OE1-NZ 2.77Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å
118	V	87.4	Confident	85.5	Confident	83 Å²	83	96.3 Å²	96.3	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-45	175.9	169.8	0	0	0	0	111.1	L114 L115 K122	L114-V118 HydrophobicContact CD1-CG2 4.39Å; L114-V118 HydrophobicContact CG-CG2 4.45Å; L114-V118 WeakPolarHBondContact O-CB 3.41Å; L114-V118 VanDerWaalsContact O-CG2 3.28Å; L114-V118 WeakPolarHBondContact O-CG2 3.3Å; L114-V118 PolarHBondContact O-N 3.17Å; L115-V118 PolarHBondContact O-N 2.93Å; V118-K122 WeakPolarHBondContact O-CB 3.48Å; V118-K122 PolarHBondContact O-N 3.39Å
119	I	77.5	Confident	86	Confident	21 Å²	21	99.2 Å²	99.2	11%	0.108	48%	0.482	C	S	.	.	H	α-helix	trans	-60.5	-49.2	176.1	-69.7	157.1	0	0	0	109.6	L115 H116 K121 K122 D123 N311 R314	L115-I119 HydrophobicContact CD1-CD1 4.45Å; L115-I119 HydrophobicContact CD2-CD1 4.4Å; L115-I119 HydrophobicContact CG-CD1 3.78Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CB 3.47Å; L115-I119 VanDerWaalsContact O-CD1 3.26Å; L115-I119 WeakPolarHBondContact O-CD1 3.19Å; L115-I119 WeakPolarHBondContact O-CG1 3.07Å; L115-I119 PolarHBondContact O-N 3Å; H116-I119 PolarHBondContact O-N 3.49Å; I119-K121 PolarHBondContact O-N 3.24Å; I119-K122 PolarHBondContact O-N 3.49Å; I119-K122 VanDerWaalsContact O-N 3.16Å; I119-D123 WeakPolarHBondContact O-CB 3.38Å; I119-D123 PolarHBondContact O-N 2.95Å; I119-N311 WeakPolarHBondContact CD1-ND2 3.23Å; I119-N311 HydrophobicContact CG2-CB 4.31Å; I119-N311 WeakPolarHBondContact CG2-ND2 3.31Å; I119-R314 VanDerWaalsContact CG2-NH1 3.35Å
120	H	86.8	Confident	86.3	Confident	95 Å²	95	100.8 Å²	100.8	44%	0.44	48%	0.483	S	S	.	.	H	α-helix	trans	-60.5	-46.4	-178.6	-175.4	-89.1	0	0	0	111.7	H116 E117 K122 D123 Q124	H116-H120 VanDerWaalsContact O-CB 3.26Å; H116-H120 WeakPolarHBondContact O-CB 3.48Å; H116-H120 PolarHBondContact O-N 2.84Å; E117-H120 PolarHBondContact O-N 2.99Å; H120-K122 VanDerWaalsContact C-N 3.31Å; H120-K122 PolarHBondContact O-N 2.99Å; H120-D123 PolarHBondContact O-N 2.9Å; H120-Q124 PolarHBondContact CE1-NE2 3.48Å; H120-Q124 PolarHBondContact ND1-OE1 3.1Å; H120-Q124 WeakPolarHBondContact O-CB 3.17Å; H120-Q124 VanDerWaalsContact O-CG 3.32Å; H120-Q124 WeakPolarHBondContact O-CG 3.39Å; H120-Q124 PolarHBondContact O-N 3.2Å
121	K	85.7	Confident	86.5	Confident	113 Å²	113	100.9 Å²	100.9	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-62.3	-38.1	175.6	-78.5	-179.4	179.3	158.6	0	112.4	E117 I119 T125	E117-K121 WeakPolarHBondContact O-CB 3.48Å; E117-K121 WeakPolarHBondContact O-CG 3.39Å; E117-K121 PolarHBondContact O-N 3.37Å; E117-K121 IonicContact OE1-NZ 2.77Å; E117-K121 PolarHBondContact OE1-NZ 2.84Å; I119-K121 PolarHBondContact O-N 3.24Å; K121-T125 WeakPolarHBondContact O-CB 3.04Å; K121-T125 PolarHBondContact O-N 3Å; K121-T125 PolarHBondContact O-OG1 2.75Å
122	K	84.4	Confident	86.9	Confident	148 Å²	148	98.4 Å²	98.4	64%	0.643	48%	0.478	S	S	*	.	H	α-helix	trans	-66.8	-46.3	176.8	-177.9	173.4	174.7	166.8	0	111.7	V118 I119 H120 Q124 T125 L126	V118-K122 WeakPolarHBondContact O-CB 3.48Å; V118-K122 PolarHBondContact O-N 3.39Å; I119-K122 PolarHBondContact O-N 3.49Å; I119-K122 VanDerWaalsContact O-N 3.16Å; H120-K122 VanDerWaalsContact C-N 3.31Å; H120-K122 PolarHBondContact O-N 2.99Å; K122-Q124 VanDerWaalsContact C-N 3.33Å; K122-Q124 PolarHBondContact O-N 3.39Å; K122-T125 PolarHBondContact O-N 3.38Å; K122-L126 PolarHBondContact O-N 2.98Å
123	D	82.8	Confident	87.4	Confident	48 Å²	48	100.5 Å²	100.5	26%	0.257	49%	0.49	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.3	-71.8	-12.9	0	0	0	109.9	I119 H120 T125 L126 E127 R314	I119-D123 WeakPolarHBondContact O-CB 3.38Å; I119-D123 PolarHBondContact O-N 2.95Å; H120-D123 PolarHBondContact O-N 2.9Å; D123-T125 PolarHBondContact O-N 2.91Å; D123-L126 WeakPolarHBondContact O-CB 3.32Å; D123-L126 PolarHBondContact O-N 3.27Å; D123-E127 PolarHBondContact O-N 2.98Å; D123-R314 IonicContact OD1-NH2 3.6Å; D123-R314 IonicContact OD2-CZ 2.64Å; D123-R314 IonicContact OD2-NH1 2.6Å; D123-R314 PolarHBondContact OD2-NH1 3.24Å; D123-R314 IonicContact OD2-NH2 3.45Å; D123-R314 PolarHBondContact OD2-NH2 2.96Å
124	Q	87	Confident	87.8	Confident	103 Å²	103	99 Å²	99	48%	0.481	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-40.9	173.7	-74.9	-177.3	-42.1	0	0	113.4	H120 K122 L126 E127 H128	H120-Q124 PolarHBondContact CE1-NE2 3.48Å; H120-Q124 PolarHBondContact ND1-OE1 3.1Å; H120-Q124 WeakPolarHBondContact O-CB 3.17Å; H120-Q124 VanDerWaalsContact O-CG 3.32Å; H120-Q124 WeakPolarHBondContact O-CG 3.39Å; H120-Q124 PolarHBondContact O-N 3.2Å; K122-Q124 VanDerWaalsContact C-N 3.33Å; K122-Q124 PolarHBondContact O-N 3.39Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.44Å; Q124-E127 PolarHBondContact O-N 3.34Å; Q124-H128 WeakPolarHBondContact O-CB 3.27Å; Q124-H128 PolarHBondContact O-N 2.85Å
125	T	88	Confident	87.9	Confident	81 Å²	81	100 Å²	100	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-65.2	-39.3	178.4	-52.1	0	0	0	0	110.9	K121 K122 D123 H128 Q129	K121-T125 WeakPolarHBondContact O-CB 3.04Å; K121-T125 PolarHBondContact O-N 3Å; K121-T125 PolarHBondContact O-OG1 2.75Å; K122-T125 PolarHBondContact O-N 3.38Å; D123-T125 PolarHBondContact O-N 2.91Å; T125-H128 PolarHBondContact O-N 3.09Å; T125-Q129 WeakPolarHBondContact O-CG 3.21Å; T125-Q129 PolarHBondContact O-N 3.2Å
126	L	88.3	Confident	88.3	Confident	99 Å²	99	102.4 Å²	102.4	52%	0.518	50%	0.504	S	S	.	.	H	α-helix	trans	-65.9	-42.2	176.6	-172.4	72.8	0	0	0	111.6	K122 D123 Q124 Q129 R130	K122-L126 PolarHBondContact O-N 2.98Å; D123-L126 WeakPolarHBondContact O-CB 3.32Å; D123-L126 PolarHBondContact O-N 3.27Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.44Å; L126-Q129 PolarHBondContact O-N 2.93Å; L126-R130 PolarHBondContact O-N 2.96Å
127	E	87.3	Confident	88.8	Confident	133 Å²	133	101.7 Å²	101.7	62%	0.621	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-41.2	174.2	-73.3	-165.5	159.7	0	0	112.1	D123 Q124 Q129 R130 L131	D123-E127 PolarHBondContact O-N 2.98Å; Q124-E127 PolarHBondContact O-N 3.34Å; E127-Q129 PolarHBondContact O-N 2.88Å; E127-R130 WeakPolarHBondContact O-CB 3.5Å; E127-R130 PolarHBondContact O-N 3.08Å; E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 3.4Å
128	H	88	Confident	89	Confident	113 Å²	113	99.9 Å²	99.9	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-59.5	-47.7	175.9	-168.2	71.1	0	0	0	111.8	Q124 T125 R130 L131 E132	Q124-H128 WeakPolarHBondContact O-CB 3.27Å; Q124-H128 PolarHBondContact O-N 2.85Å; T125-H128 PolarHBondContact O-N 3.09Å; H128-R130 VanDerWaalsContact C-N 3.29Å; H128-R130 PolarHBondContact O-N 2.86Å; H128-L131 PolarHBondContact O-N 3.39Å; H128-E132 IonicContact CD2-OE1 3.24Å; H128-E132 IonicContact NE2-OE1 3.21Å; H128-E132 PolarHBondContact O-N 2.63Å
129	Q	87.8	Confident	89.3	Confident	114 Å²	114	99.3 Å²	99.3	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-60.7	-37.8	175.9	-73.8	179	-15.5	0	0	112.7	T125 L126 E127 E132 S133	T125-Q129 WeakPolarHBondContact O-CG 3.21Å; T125-Q129 PolarHBondContact O-N 3.2Å; L126-Q129 PolarHBondContact O-N 2.93Å; E127-Q129 PolarHBondContact O-N 2.88Å; Q129-E132 PolarHBondContact O-N 2.86Å; Q129-S133 PolarHBondContact O-N 3.29Å
130	R	91.3	Very high	90.2	Very high	156 Å²	156	101.9 Å²	101.9	59%	0.589	52%	0.519	S	S	*	.	H	α-helix	trans	-64.9	-43	176	-173	178.8	-179.1	-173.2	-1.7	111.4	L126 E127 H128 S133 L134	L126-R130 PolarHBondContact O-N 2.96Å; E127-R130 WeakPolarHBondContact O-CB 3.5Å; E127-R130 PolarHBondContact O-N 3.08Å; H128-R130 VanDerWaalsContact C-N 3.29Å; H128-R130 PolarHBondContact O-N 2.86Å; R130-S133 PolarHBondContact O-N 3.34Å; R130-L134 WeakPolarHBondContact O-CG 3.35Å; R130-L134 PolarHBondContact O-N 3.04Å
131	L	93.4	Very high	90.6	Very high	110 Å²	110	102.3 Å²	102.3	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-64.8	-41.9	176.4	-71.9	172.4	0	0	0	111.8	E127 H128 S133 L134 L135	E127-L131 WeakPolarHBondContact O-CG 3.49Å; E127-L131 PolarHBondContact O-N 3.4Å; H128-L131 PolarHBondContact O-N 3.39Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 2.91Å; L131-L134 PolarHBondContact O-N 2.82Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 2.89Å
132	E	91.4	Very high	90.9	Very high	111 Å²	111	99.9 Å²	99.9	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-59.2	-43.7	174.3	-74.8	-174.4	145.3	0	0	112	H128 Q129 L135 L136	H128-E132 IonicContact CD2-OE1 3.24Å; H128-E132 IonicContact NE2-OE1 3.21Å; H128-E132 PolarHBondContact O-N 2.63Å; Q129-E132 PolarHBondContact O-N 2.86Å; E132-L135 PolarHBondContact O-N 2.85Å; E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 PolarHBondContact O-N 2.87Å
133	S	91.7	Very high	91.5	Very high	79 Å²	79	98.6 Å²	98.6	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-42.4	176.7	177.9	0	0	0	0	112.3	Q129 R130 L131 L136 N137	Q129-S133 PolarHBondContact O-N 3.29Å; R130-S133 PolarHBondContact O-N 3.34Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-S133 PolarHBondContact O-N 2.91Å; S133-L136 PolarHBondContact O-N 2.75Å; S133-N137 WeakPolarHBondContact O-CB 3.38Å; S133-N137 PolarHBondContact O-N 3.17Å
134	L	95.1	Very high	92	Very high	100 Å²	100	101.9 Å²	101.9	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-43.1	176	-73.5	172.1	0	0	0	111.7	R130 L131 N137 A138	R130-L134 WeakPolarHBondContact O-CG 3.35Å; R130-L134 PolarHBondContact O-N 3.04Å; L131-L134 PolarHBondContact O-N 2.82Å; L134-N137 PolarHBondContact O-N 2.03Å; L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 3.18Å
135	L	93.4	Very high	92.5	Very high	121 Å²	121	101.7 Å²	101.7	63%	0.634	54%	0.541	S	S	*	.	H	α-helix	trans	-60.5	-48.1	176	-167.9	94.1	0	0	0	110.4	L131 E132 N137 A138 T139	L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 PolarHBondContact O-N 2.89Å; E132-L135 PolarHBondContact O-N 2.85Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.04Å; L135-A138 PolarHBondContact O-N 3.08Å; L135-T139 WeakPolarHBondContact O-CB 3.4Å; L135-T139 PolarHBondContact O-N 3.34Å; L135-T139 PolarHBondContact O-OG1 2.88Å
136	L	93.4	Very high	92.8	Very high	122 Å²	122	100.7 Å²	100.7	64%	0.639	54%	0.537	S	S	*	.	H	α-helix	trans	-59.1	-44.1	178.9	-173.7	67.8	0	0	0	111.5	E132 S133 T139 T140	E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 PolarHBondContact O-N 2.87Å; S133-L136 PolarHBondContact O-N 2.75Å; L136-T139 PolarHBondContact O-N 3.48Å; L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3Å
137	N	94.8	Very high	93.1	Very high	86 Å²	86	99.1 Å²	99.1	46%	0.46	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-47.1	177.1	-169.3	22.7	0	0	0	111.8	S133 L134 L135 T139 T140 H141	S133-N137 WeakPolarHBondContact O-CB 3.38Å; S133-N137 PolarHBondContact O-N 3.17Å; L134-N137 PolarHBondContact O-N 2.03Å; L135-N137 VanDerWaalsContact C-N 3.32Å; L135-N137 PolarHBondContact O-N 3.04Å; N137-T139 VanDerWaalsContact C-N 3.31Å; N137-T139 PolarHBondContact O-N 3.07Å; N137-T140 PolarHBondContact O-N 2.93Å; N137-H141 PolarHBondContact O-CD2 2.86Å; N137-H141 PolarHBondContact O-N 2.95Å; N137-H141 PolarHBondContact OD1-CD2 3.05Å; N137-H141 VanDerWaalsContact OD1-CD2 3.31Å
138	A	93.2	Very high	93.5	Very high	61 Å²	61	95.9 Å²	95.9	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-60.4	-40.9	177.2	0	0	0	0	0	112.1	L134 L135 T140 H141 A142	L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 3.18Å; L135-A138 PolarHBondContact O-N 3.08Å; A138-T140 VanDerWaalsContact C-N 3.35Å; A138-H141 PolarHBondContact O-N 3.02Å; A138-A142 WeakPolarHBondContact O-CB 3.39Å; A138-A142 PolarHBondContact O-N 3.03Å
139	T	94.9	Very high	93.9	Very high	71 Å²	71	98 Å²	98	44%	0.436	53%	0.531	S	S	.	.	H	α-helix	trans	-65.1	-40.6	177.5	-42.3	0	0	0	0	111	L135 L136 N137 A142 L143	L135-T139 WeakPolarHBondContact O-CB 3.4Å; L135-T139 PolarHBondContact O-N 3.34Å; L135-T139 PolarHBondContact O-OG1 2.88Å; L136-T139 PolarHBondContact O-N 3.48Å; N137-T139 VanDerWaalsContact C-N 3.31Å; N137-T139 PolarHBondContact O-N 3.07Å; T139-A142 PolarHBondContact O-N 2.94Å; T139-L143 WeakPolarHBondContact O-CG 3.43Å; T139-L143 PolarHBondContact O-N 3.36Å
140	T	95.4	Very high	94.3	Very high	76 Å²	76	100.7 Å²	100.7	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-63.7	-45.5	176.6	-54.1	0	0	0	0	111.2	L136 N137 A138 A142 L143 Q144	L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.12Å; L136-T140 PolarHBondContact O-OG1 3Å; N137-T140 PolarHBondContact O-N 2.93Å; A138-T140 VanDerWaalsContact C-N 3.35Å; T140-A142 PolarHBondContact O-N 3.3Å; T140-L143 PolarHBondContact O-N 2.84Å; T140-Q144 PolarHBondContact O-N 2.92Å
141	H	94.6	Very high	94.5	Very high	104 Å²	104	98.4 Å²	98.4	48%	0.481	53%	0.532	S	S	.	.	H	α-helix	trans	-60.9	-43.8	174.2	-88	-72.8	0	0	0	112.3	N137 A138 L143 Q144 V145	N137-H141 PolarHBondContact O-CD2 2.86Å; N137-H141 PolarHBondContact O-N 2.95Å; N137-H141 PolarHBondContact OD1-CD2 3.05Å; N137-H141 VanDerWaalsContact OD1-CD2 3.31Å; A138-H141 PolarHBondContact O-N 3.02Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.44Å; H141-Q144 PolarHBondContact O-N 3.3Å; H141-V145 WeakPolarHBondContact O-CG2 3.44Å; H141-V145 PolarHBondContact O-N 2.87Å
142	A	93.4	Very high	94.6	Very high	61 Å²	61	98.4 Å²	98.4	50%	0.504	53%	0.533	S	S	.	.	H	α-helix	trans	-61.7	-41.2	177.9	0	0	0	0	0	112.1	A138 T139 T140 Q144 V145 S146	A138-A142 WeakPolarHBondContact O-CB 3.39Å; A138-A142 PolarHBondContact O-N 3.03Å; T139-A142 PolarHBondContact O-N 2.94Å; T140-A142 PolarHBondContact O-N 3.3Å; A142-Q144 VanDerWaalsContact C-N 3.35Å; A142-V145 PolarHBondContact O-N 2.81Å; A142-S146 WeakPolarHBondContact O-CB 3.45Å; A142-S146 PolarHBondContact O-N 2.68Å
143	L	95.6	Very high	94.8	Very high	121 Å²	121	98.9 Å²	98.9	63%	0.634	54%	0.535	S	S	*	.	H	α-helix	trans	-62.8	-41.2	174.5	-74.6	170.6	0	0	0	112	T139 T140 H141 S146 S147	T139-L143 WeakPolarHBondContact O-CG 3.43Å; T139-L143 PolarHBondContact O-N 3.36Å; T140-L143 PolarHBondContact O-N 2.84Å; H141-L143 VanDerWaalsContact C-N 3.34Å; H141-L143 PolarHBondContact O-N 3.44Å; L143-S146 PolarHBondContact O-N 2.77Å; L143-S147 PolarHBondContact O-N 3.02Å; L143-S147 PolarHBondContact O-OG 3.11Å
144	Q	94.7	Very high	95	Very high	117 Å²	117	103 Å²	103	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-67.3	-37.9	178.1	-170.4	176.1	-3.6	0	0	112.6	T140 H141 A142 S147 S148	T140-Q144 PolarHBondContact O-N 2.92Å; H141-Q144 PolarHBondContact O-N 3.3Å; A142-Q144 VanDerWaalsContact C-N 3.35Å; Q144-S147 PolarHBondContact O-OG 3.26Å; Q144-S148 WeakPolarHBondContact O-CB 3.49Å; Q144-S148 PolarHBondContact O-N 3.05Å; Q144-S148 VanDerWaalsContact O-N 3.08Å; Q144-S148 PolarHBondContact O-OG 2.83Å
145	V	95.9	Very high	94.9	Very high	100 Å²	100	104.2 Å²	104.2	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-66.3	-43	173.5	172.2	0	0	0	0	110.4	H141 A142 S147 S148 Y149	H141-V145 WeakPolarHBondContact O-CG2 3.44Å; H141-V145 PolarHBondContact O-N 2.87Å; A142-V145 PolarHBondContact O-N 2.81Å; V145-S147 PolarHBondContact O-N 2.77Å; V145-S148 PolarHBondContact O-N 2.81Å; V145-Y149 WeakPolarHBondContact O-CB 3.42Å; V145-Y149 PolarHBondContact O-N 2.88Å
146	S	95.5	Very high	95	Very high	59 Å²	59	106.2 Å²	106.2	41%	0.413	54%	0.544	S	S	.	.	H	α-helix	trans	-61.8	-41.9	177.7	-172.7	0	0	0	0	112.4	A142 L143 Y149 R150	A142-S146 WeakPolarHBondContact O-CB 3.45Å; A142-S146 PolarHBondContact O-N 2.68Å; L143-S146 PolarHBondContact O-N 2.77Å; S146-Y149 PolarHBondContact O-N 3.21Å; S146-R150 PolarHBondContact O-N 2.88Å; S146-R150 VanDerWaalsContact O-N 3.09Å
147	S	95.1	Very high	95.1	Very high	67 Å²	67	102.4 Å²	102.4	47%	0.469	53%	0.534	S	S	.	.	H	α-helix	trans	-65.2	-41.7	176	66.8	0	0	0	0	111.9	L143 Q144 V145 Y149 R150 E151	L143-S147 PolarHBondContact O-N 3.02Å; L143-S147 PolarHBondContact O-OG 3.11Å; Q144-S147 PolarHBondContact O-OG 3.26Å; V145-S147 PolarHBondContact O-N 2.77Å; S147-Y149 VanDerWaalsContact C-N 3.33Å; S147-Y149 PolarHBondContact O-N 3.27Å; S147-R150 PolarHBondContact O-N 3.1Å; S147-E151 PolarHBondContact O-N 2.75Å; S147-E151 VanDerWaalsContact O-N 3.1Å
148	S	95.8	Very high	95.1	Very high	65 Å²	65	101.3 Å²	101.3	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-62.6	-40.2	176.1	-56.4	0	0	0	0	111.8	Q144 V145 E151 L152	Q144-S148 WeakPolarHBondContact O-CB 3.49Å; Q144-S148 PolarHBondContact O-N 3.05Å; Q144-S148 VanDerWaalsContact O-N 3.08Å; Q144-S148 PolarHBondContact O-OG 2.83Å; V145-S148 PolarHBondContact O-N 2.81Å; S148-E151 PolarHBondContact O-N 3.37Å; S148-L152 PolarHBondContact O-N 2.71Å
149	Y	94.9	Very high	95.2	Very high	156 Å²	156	103.5 Å²	103.5	61%	0.612	54%	0.54	S	S	*	.	H	α-helix	trans	-63.2	-44	176.4	-171.8	-91.3	0	0	0	111.9	V145 S146 S147 E151 L152 E153	V145-Y149 WeakPolarHBondContact O-CB 3.42Å; V145-Y149 PolarHBondContact O-N 2.88Å; S146-Y149 PolarHBondContact O-N 3.21Å; S147-Y149 VanDerWaalsContact C-N 3.33Å; S147-Y149 PolarHBondContact O-N 3.27Å; Y149-E151 VanDerWaalsContact C-N 3.28Å; Y149-E151 PolarHBondContact O-N 2.81Å; Y149-L152 WeakPolarHBondContact O-CB 3.38Å; Y149-L152 PolarHBondContact O-N 2.91Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; Y149-E153 PolarHBondContact O-N 3.33Å
150	R	96.3	Very high	95.2	Very high	171 Å²	171	103.6 Å²	103.6	65%	0.645	54%	0.54	S	S	*	.	H	α-helix	trans	-60.9	-36.7	175.1	-73.8	-178.6	179.3	-179	1	112.6	S146 S147 K154	S146-R150 PolarHBondContact O-N 2.88Å; S146-R150 VanDerWaalsContact O-N 3.09Å; S147-R150 PolarHBondContact O-N 3.1Å; R150-K154 PolarHBondContact O-N 3.43Å
151	E	95.7	Very high	95.1	Very high	108 Å²	108	103.6 Å²	103.6	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-68.3	-41.2	175.7	-163.7	-171.4	147.2	0	0	111.5	S147 S148 Y149 E153 K154 K155	S147-E151 PolarHBondContact O-N 2.75Å; S147-E151 VanDerWaalsContact O-N 3.1Å; S148-E151 PolarHBondContact O-N 3.37Å; Y149-E151 VanDerWaalsContact C-N 3.28Å; Y149-E151 PolarHBondContact O-N 2.81Å; E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.35Å; E151-K154 PolarHBondContact O-N 3.43Å; E151-K155 PolarHBondContact O-N 2.59Å; E151-K155 VanDerWaalsContact OE1-CE 3.22Å; E151-K155 WeakPolarHBondContact OE1-CE 3.37Å; E151-K155 IonicContact OE1-NZ 2.73Å; E151-K155 PolarHBondContact OE1-NZ 3.05Å
152	L	95.6	Very high	95.1	Very high	111 Å²	111	104 Å²	104	58%	0.581	55%	0.546	S	S	*	.	H	α-helix	trans	-62.6	-41.4	176.6	-170.3	64.1	0	0	0	111.7	S148 Y149 K154 K155 Y156	S148-L152 PolarHBondContact O-N 2.71Å; Y149-L152 WeakPolarHBondContact O-CB 3.38Å; Y149-L152 PolarHBondContact O-N 2.91Å; Y149-L152 VanDerWaalsContact O-N 3.16Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.43Å; L152-K155 PolarHBondContact O-N 3.39Å; L152-Y156 PolarHBondContact O-N 3.46Å
153	E	94.9	Very high	95.1	Very high	121 Å²	121	106.3 Å²	106.3	57%	0.565	55%	0.548	S	S	*	.	H	α-helix	trans	-60.4	-41.3	176.2	-169.1	172.7	-159.2	0	0	111.8	Y149 E151 Y156 G157	Y149-E153 PolarHBondContact O-N 3.33Å; E151-E153 VanDerWaalsContact C-N 3.33Å; E151-E153 PolarHBondContact O-N 3.35Å; E153-Y156 PolarHBondContact O-N 2.86Å; E153-G157 PolarHBondContact O-N 3.44Å
154	K	95.9	Very high	94.9	Very high	165 Å²	165	103.2 Å²	103.2	72%	0.717	54%	0.537	S	S	*	.	H	α-helix	trans	-62.4	-44.4	173.1	-73.8	-179.3	179.7	-178.1	0	112.5	R150 E151 L152 Y156 G157 A158	R150-K154 PolarHBondContact O-N 3.43Å; E151-K154 PolarHBondContact O-N 3.43Å; L152-K154 VanDerWaalsContact C-N 3.33Å; L152-K154 PolarHBondContact O-N 3.43Å; K154-Y156 VanDerWaalsContact C-N 3.32Å; K154-Y156 PolarHBondContact O-N 3.35Å; K154-G157 PolarHBondContact O-N 2.87Å; K154-A158 PolarHBondContact O-N 2.61Å
155	K	94.8	Very high	94.8	Very high	125 Å²	125	100.7 Å²	100.7	54%	0.543	53%	0.532	S	S	.	.	H	α-helix	trans	-62.5	-41.3	177.7	-72	176.3	-175.7	164.8	0	111.1	E151 L152 A158 L159	E151-K155 PolarHBondContact O-N 2.59Å; E151-K155 VanDerWaalsContact OE1-CE 3.22Å; E151-K155 WeakPolarHBondContact OE1-CE 3.37Å; E151-K155 IonicContact OE1-NZ 2.73Å; E151-K155 PolarHBondContact OE1-NZ 3.05Å; L152-K155 PolarHBondContact O-N 3.39Å; K155-A158 PolarHBondContact O-N 3.04Å; K155-L159 PolarHBondContact O-N 3.45Å
156	Y	95	Very high	94.7	Very high	164 Å²	164	101 Å²	101	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-64.7	-40.8	176.2	-168.3	-93.8	0	0	0	112.2	L152 E153 K154 A158 L159 T160	L152-Y156 PolarHBondContact O-N 3.46Å; E153-Y156 PolarHBondContact O-N 2.86Å; K154-Y156 VanDerWaalsContact C-N 3.32Å; K154-Y156 PolarHBondContact O-N 3.35Å; Y156-A158 PolarHBondContact O-N 3.27Å; Y156-L159 PolarHBondContact O-N 2.88Å; Y156-T160 PolarHBondContact O-N 3.13Å; Y156-T160 PolarHBondContact O-OG1 3.42Å
157	G	95.3	Very high	94.5	Very high	41 Å²	41	102.1 Å²	102.1	42%	0.423	53%	0.529	S	S	.	.	H	α-helix	trans	-59.3	-44.4	173	0	0	0	0	0	112.7	E153 K154 T160 S161	E153-G157 PolarHBondContact O-N 3.44Å; K154-G157 PolarHBondContact O-N 2.87Å; G157-T160 PolarHBondContact O-N 2.79Å; G157-S161 PolarHBondContact O-N 2.95Å; G157-S161 VanDerWaalsContact O-N 3.08Å
158	A	95.1	Very high	94.3	Very high	64 Å²	64	104.7 Å²	104.7	53%	0.529	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-42.7	176	0	0	0	0	0	112.4	K154 K155 Y156 T160 S161 M162	K154-A158 PolarHBondContact O-N 2.61Å; K155-A158 PolarHBondContact O-N 3.04Å; Y156-A158 PolarHBondContact O-N 3.27Å; A158-T160 PolarHBondContact O-N 2.82Å; A158-S161 PolarHBondContact O-N 2.73Å; A158-M162 PolarHBondContact O-N 2.96Å
159	L	95.3	Very high	94.1	Very high	107 Å²	107	105.3 Å²	105.3	56%	0.56	53%	0.534	S	S	*	.	H	α-helix	trans	-63.2	-41.8	176.8	-175.3	63.4	0	0	0	111.7	K155 Y156 S161 M162 M163	K155-L159 PolarHBondContact O-N 3.45Å; Y156-L159 PolarHBondContact O-N 2.88Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.15Å; L159-M162 WeakPolarHBondContact O-CB 3.42Å; L159-M162 PolarHBondContact O-N 2.54Å; L159-M162 VanDerWaalsContact O-N 3.1Å; L159-M163 PolarHBondContact O-N 2.95Å
160	T	94.3	Very high	93.9	Very high	73 Å²	73	101.8 Å²	101.8	45%	0.448	53%	0.525	S	S	.	.	H	α-helix	trans	-61.2	-40	176.9	-55	0	0	0	0	111.5	Y156 G157 A158 M162 M163 S164	Y156-T160 PolarHBondContact O-N 3.13Å; Y156-T160 PolarHBondContact O-OG1 3.42Å; G157-T160 PolarHBondContact O-N 2.79Å; A158-T160 PolarHBondContact O-N 2.82Å; T160-M162 VanDerWaalsContact C-N 3.34Å; T160-M163 PolarHBondContact O-N 2.71Å; T160-S164 PolarHBondContact O-N 2.8Å
161	S	94.2	Very high	93.5	Very high	76 Å²	76	96.9 Å²	96.9	53%	0.531	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-34	173.9	-174	0	0	0	0	113	G157 A158 L159 S164 S165	G157-S161 PolarHBondContact O-N 2.95Å; G157-S161 VanDerWaalsContact O-N 3.08Å; A158-S161 PolarHBondContact O-N 2.73Å; L159-S161 VanDerWaalsContact C-N 3.3Å; L159-S161 PolarHBondContact O-N 3.15Å; S161-S164 PolarHBondContact O-OG 3.26Å; S161-S165 WeakPolarHBondContact O-CB 3.48Å; S161-S165 PolarHBondContact O-N 3.44Å; S161-S165 VanDerWaalsContact O-N 3.15Å
162	M	94.3	Very high	93.1	Very high	111 Å²	111	98.6 Å²	98.6	55%	0.547	52%	0.52	S	S	.	.	H	α-helix	trans	-70	-43.9	176	-171.5	-178.4	-60.1	0	0	111.1	A158 L159 T160 S164 S165 Q166	A158-M162 PolarHBondContact O-N 2.96Å; L159-M162 WeakPolarHBondContact O-CB 3.42Å; L159-M162 PolarHBondContact O-N 2.54Å; L159-M162 VanDerWaalsContact O-N 3.1Å; T160-M162 VanDerWaalsContact C-N 3.34Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 3.26Å; M162-S165 WeakPolarHBondContact O-CB 3.3Å; M162-S165 PolarHBondContact O-N 3.49Å; M162-Q166 WeakPolarHBondContact O-CG 3.37Å; M162-Q166 PolarHBondContact O-N 2.65Å
163	M	92.6	Very high	92.6	Very high	110 Å²	110	97.8 Å²	97.8	54%	0.542	52%	0.515	S	S	.	.	H	α-helix	trans	-59.6	-42.8	176.1	-166.9	81.1	-177.2	0	0	111.5	L159 T160 Q166 N167	L159-M163 PolarHBondContact O-N 2.95Å; T160-M163 PolarHBondContact O-N 2.71Å; M163-Q166 PolarHBondContact O-N 2.95Å; M163-N167 WeakPolarHBondContact O-CB 3.39Å; M163-N167 PolarHBondContact O-N 3.33Å
164	S	91.2	Very high	92	Very high	57 Å²	57	97 Å²	97	40%	0.399	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-39.5	177.1	70.9	0	0	0	0	112.2	T160 S161 M162 N167 Q168	T160-S164 PolarHBondContact O-N 2.8Å; S161-S164 PolarHBondContact O-OG 3.26Å; M162-S164 VanDerWaalsContact C-N 3.33Å; M162-S164 PolarHBondContact O-N 3.26Å; S164-N167 PolarHBondContact O-N 2.93Å; S164-Q168 WeakPolarHBondContact O-CG 3.21Å; S164-Q168 PolarHBondContact O-N 2.82Å
165	S	94	Very high	91.2	Very high	63 Å²	63	96.2 Å²	96.2	44%	0.441	51%	0.508	S	S	.	.	H	α-helix	trans	-63	-45.2	174	-174.9	0	0	0	0	111.8	S161 M162 N167 Q168 V169	S161-S165 WeakPolarHBondContact O-CB 3.48Å; S161-S165 PolarHBondContact O-N 3.44Å; S161-S165 VanDerWaalsContact O-N 3.15Å; M162-S165 WeakPolarHBondContact O-CB 3.3Å; M162-S165 PolarHBondContact O-N 3.49Å; S165-N167 PolarHBondContact O-N 2.64Å; S165-Q168 WeakPolarHBondContact O-CB 3.38Å; S165-Q168 PolarHBondContact O-N 3.32Å; S165-V169 WeakPolarHBondContact O-CG2 3.28Å; S165-V169 PolarHBondContact O-N 3.1Å; S165-V169 VanDerWaalsContact O-N 3.08Å
166	Q	93.3	Very high	90.4	Very high	106 Å²	106	96.8 Å²	96.8	50%	0.495	51%	0.513	S	S	.	.	H	α-helix	trans	-61.3	-43.9	175	-74.3	-178.9	-19.6	0	0	111.6	M162 M163 Q168 V169 I170	M162-Q166 WeakPolarHBondContact O-CG 3.37Å; M162-Q166 PolarHBondContact O-N 2.65Å; M163-Q166 PolarHBondContact O-N 2.95Å; Q166-Q168 VanDerWaalsContact C-N 3.29Å; Q166-Q168 PolarHBondContact O-N 3.15Å; Q166-V169 WeakPolarHBondContact O-CB 3.48Å; Q166-V169 PolarHBondContact O-N 3.28Å; Q166-I170 WeakPolarHBondContact O-CG1 3.22Å; Q166-I170 PolarHBondContact O-N 3Å
167	N	91.3	Very high	89.2	Confident	84 Å²	84	93.1 Å²	93.1	45%	0.449	51%	0.51	S	S	.	.	H	α-helix	trans	-61	-35.9	175.8	-78.7	-12.6	0	0	0	112.7	M163 S164 S165 V169 T171	M163-N167 WeakPolarHBondContact O-CB 3.39Å; M163-N167 PolarHBondContact O-N 3.33Å; S164-N167 PolarHBondContact O-N 2.93Å; S165-N167 PolarHBondContact O-N 2.64Å; N167-V169 VanDerWaalsContact C-N 3.35Å; N167-T171 WeakPolarHBondContact O-CB 3.37Å; N167-T171 WeakPolarHBondContact O-CG2 3.46Å; N167-T171 PolarHBondContact O-N 2.86Å; N167-T171 PolarHBondContact O-OG1 2.82Å
168	Q	91.3	Very high	87.6	Confident	121 Å²	121	98.4 Å²	98.4	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-66.9	-35.4	173.3	-72.7	176.3	4.7	0	0	112.6	S164 S165 Q166 T171 K172	S164-Q168 WeakPolarHBondContact O-CG 3.21Å; S164-Q168 PolarHBondContact O-N 2.82Å; S165-Q168 WeakPolarHBondContact O-CB 3.38Å; S165-Q168 PolarHBondContact O-N 3.32Å; Q166-Q168 VanDerWaalsContact C-N 3.29Å; Q166-Q168 PolarHBondContact O-N 3.15Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.21Å; Q168-T171 PolarHBondContact O-OG1 2.98Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; Q168-K172 WeakPolarHBondContact O-CG 3.34Å; Q168-K172 PolarHBondContact O-N 3.14Å
169	V	91.6	Very high	85.6	Confident	77 Å²	77	100.6 Å²	100.6	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-69.9	-45.5	175.2	174.6	0	0	0	0	110.6	S165 Q166 N167 T171 K172 L173	S165-V169 WeakPolarHBondContact O-CG2 3.28Å; S165-V169 PolarHBondContact O-N 3.1Å; S165-V169 VanDerWaalsContact O-N 3.08Å; Q166-V169 WeakPolarHBondContact O-CB 3.48Å; Q166-V169 PolarHBondContact O-N 3.28Å; N167-V169 VanDerWaalsContact C-N 3.35Å; V169-T171 PolarHBondContact O-N 2.88Å; V169-K172 PolarHBondContact O-N 2.58Å; V169-L173 HydrophobicContact CG1-CD1 3.95Å; V169-L173 HydrophobicContact CG1-CG 4.44Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 3.17Å
170	I	90.2	Very high	83.5	Confident	82 Å²	82	106 Å²	106	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-57.2	-50.3	177.3	-67.9	165.3	0	0	0	110.2	Q166 K172 L173 E174	Q166-I170 WeakPolarHBondContact O-CG1 3.22Å; Q166-I170 PolarHBondContact O-N 3Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.13Å; I170-L173 PolarHBondContact O-N 2.86Å; I170-L173 VanDerWaalsContact O-N 3.09Å; I170-E174 HydrophobicContact CG2-CG 4.3Å; I170-E174 WeakPolarHBondContact O-CG 3.35Å; I170-E174 PolarHBondContact O-N 3Å
171	T	88.3	Confident	81.1	Confident	68 Å²	68	109.8 Å²	109.8	42%	0.417	56%	0.564	S	S	.	*	H	α-helix	trans	-63	-32	178.7	44.6	0	0	0	0	113.6	N167 Q168 V169 K175	N167-T171 WeakPolarHBondContact O-CB 3.37Å; N167-T171 WeakPolarHBondContact O-CG2 3.46Å; N167-T171 PolarHBondContact O-N 2.86Å; N167-T171 PolarHBondContact O-OG1 2.82Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.21Å; Q168-T171 PolarHBondContact O-OG1 2.98Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; V169-T171 PolarHBondContact O-N 2.88Å; T171-K175 WeakPolarHBondContact O-CG 3.22Å; T171-K175 PolarHBondContact O-N 2.88Å
172	K	86.4	Confident	78.7	Confident	145 Å²	145	111.4 Å²	111.4	63%	0.63	58%	0.576	S	S	*	*	H	α-helix	trans	-68.1	-42.6	171.8	-78.5	178.2	-178.8	179.1	0	112	Q168 V169 I170 K175 Q176	Q168-K172 WeakPolarHBondContact O-CG 3.34Å; Q168-K172 PolarHBondContact O-N 3.14Å; V169-K172 PolarHBondContact O-N 2.58Å; I170-K172 VanDerWaalsContact C-N 3.3Å; I170-K172 PolarHBondContact O-N 3.13Å; K172-K175 PolarHBondContact O-N 2.84Å; K172-Q176 PolarHBondContact O-N 3.23Å
173	L	84.5	Confident	76.1	Confident	93 Å²	93	111.5 Å²	111.5	49%	0.487	59%	0.587	S	S	.	*	H	α-helix	trans	-66.2	-41.7	177.4	-71	169.9	0	0	0	111.6	V169 I170 K175 Q176 C177	V169-L173 HydrophobicContact CG1-CD1 3.95Å; V169-L173 HydrophobicContact CG1-CG 4.44Å; V169-L173 WeakPolarHBondContact O-CG 3.48Å; V169-L173 PolarHBondContact O-N 3.17Å; I170-L173 PolarHBondContact O-N 2.86Å; I170-L173 VanDerWaalsContact O-N 3.09Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.92Å; L173-Q176 WeakPolarHBondContact O-CB 3.25Å; L173-Q176 PolarHBondContact O-N 3.1Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; L173-C177 PolarHBondContact O-N 2.76Å; L173-C177 PolarHBondContact O-SG 2.98Å
174	E	82.3	Confident	73.4	Confident	106 Å²	106	115.3 Å²	115.3	50%	0.495	60%	0.604	S	S	.	*	H	α-helix	trans	-58.4	-43.4	174.6	-74.7	173.8	166.5	0	0	111.9	I170 Q176 C177 Q178	I170-E174 HydrophobicContact CG2-CG 4.3Å; I170-E174 WeakPolarHBondContact O-CG 3.35Å; I170-E174 PolarHBondContact O-N 3Å; E174-Q176 PolarHBondContact O-N 3Å; E174-C177 PolarHBondContact O-N 3.27Å; E174-Q178 PolarHBondContact O-N 2.98Å
175	K	81.1	Confident	71.8	Confident	147 Å²	147	117.6 Å²	117.6	64%	0.639	62%	0.618	S	S	*	*	H	α-helix	trans	-63.7	-38.9	174.2	-76.4	-178.3	178.4	-176.8	0	112.6	T171 K172 L173 C177 Q178 C179	T171-K175 WeakPolarHBondContact O-CG 3.22Å; T171-K175 PolarHBondContact O-N 2.88Å; K172-K175 PolarHBondContact O-N 2.84Å; L173-K175 VanDerWaalsContact C-N 3.33Å; L173-K175 PolarHBondContact O-N 2.92Å; K175-C177 VanDerWaalsContact C-N 3.34Å; K175-Q178 PolarHBondContact O-N 3.37Å; K175-C179 PolarHBondContact O-N 3.03Å; K175-C179 PolarHBondContact O-SG 3.35Å
176	Q	77.6	Confident	68.9	Low	137 Å²	137	120.7 Å²	120.7	64%	0.64	64%	0.639	S	S	*	*	H	α-helix	trans	-66.2	-35	174.6	-95.8	176.9	-34.7	0	0	112.5	K172 L173 E174	K172-Q176 PolarHBondContact O-N 3.23Å; L173-Q176 WeakPolarHBondContact O-CB 3.25Å; L173-Q176 PolarHBondContact O-N 3.1Å; L173-Q176 VanDerWaalsContact O-N 3.13Å; E174-Q176 PolarHBondContact O-N 3Å
177	C	69.6	Low	66.1	Low	88 Å²	88	122.6 Å²	122.6	60%	0.595	66%	0.658	S	S	*	*	H	α-helix	trans	-71.3	-40.2	174.9	-71.6	0	0	0	0	112.3	L173 E174 K175 C179 R180	L173-C177 PolarHBondContact O-N 2.76Å; L173-C177 PolarHBondContact O-SG 2.98Å; E174-C177 PolarHBondContact O-N 3.27Å; K175-C177 VanDerWaalsContact C-N 3.34Å; C177-C179 VanDerWaalsContact C-N 3.25Å; C177-C179 PolarHBondContact O-N 3.46Å; C177-R180 PolarHBondContact O-N 3.21Å
178	Q	62.3	Low	63.4	Low	152 Å²	152	122.6 Å²	122.6	71%	0.71	67%	0.67	S	S	*	*	H	α-helix	trans	-65.5	-24.3	176.9	-86.6	163	-11.2	0	0	113.9	E174 K175 R180	E174-Q178 PolarHBondContact O-N 2.98Å; K175-Q178 PolarHBondContact O-N 3.37Å; Q178-R180 PolarHBondContact O-N 3.44Å
179	C	52	Low	60.5	Low	109 Å²	109	124.4 Å²	124.4	74%	0.736	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-4.3	172.1	-69.4	0	0	0	0	114.1	K175 C177	K175-C179 PolarHBondContact O-N 3.03Å; K175-C179 PolarHBondContact O-SG 3.35Å; C177-C179 VanDerWaalsContact C-N 3.25Å; C177-C179 PolarHBondContact O-N 3.46Å
180	R	50.7	Low	57.6	Low	221 Å²	221	125.7 Å²	125.7	83%	0.834	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-6.9	-177.3	-145.2	176.7	-175.8	-163.4	-0.2	114.2	C177 Q178	C177-R180 PolarHBondContact O-N 3.21Å; Q178-R180 PolarHBondContact O-N 3.44Å
181	D	44.6	Very low	54.7	Low	152 Å²	152	130.6 Å²	130.6	81%	0.813	71%	0.709	S	S	*	*			trans	-104.7	43.6	-173	-111.9	-4.8	0	0	0	113.8
182	S	44.6	Very low	52.4	Low	111 Å²	111	132.4 Å²	132.4	78%	0.776	72%	0.722	S	S	*	*			trans	-121.2	60.4	167.4	45.3	0	0	0	0	111.6
183	S	39.1	Very low	50.9	Low	112 Å²	112	130.3 Å²	130.3	78%	0.783	72%	0.723	S	S	*	*	S	Bend	trans	-156.1	114.5	153.4	37.9	0	0	0	0	111.1
184	Q	34.4	Very low	48.2	Very low	190 Å²	190	134.5 Å²	134.5	89%	0.888	74%	0.738	S	S	*	*			trans	-55.3	-174.6	-177.1	-83.3	177	-48	0	0	116.7
185	P	57.9	Low	45.6	Very low	106 Å²	106	136.8 Å²	136.8	69%	0.688	75%	0.753	S	S	*	*			cis	-134.3	167.6	-46.5	37.2	-21.1	0	0	0	112.3
186	S	33.6	Very low	43.2	Very low	128 Å²	128	140.4 Å²	140.4	90%	0.895	76%	0.763	S	S	*	*			trans	-179.4	149.3	139.8	28.3	0	0	0	0	113.2
187	V	35.6	Very low	41	Very low	145 Å²	145	139.2 Å²	139.2	88%	0.879	77%	0.77	S	S	*	*			trans	-92.5	156.4	-163.9	169.8	0	0	0	0	111.7
188	A	33.3	Very low	39.1	Very low	85 Å²	85	141 Å²	141	70%	0.702	77%	0.773	S	S	*	*			trans	134.8	135	140.2	0	0	0	0	0	110.8
189	M	31.6	Very low	37.4	Very low	158 Å²	158	141.3 Å²	141.3	78%	0.778	78%	0.775	S	S	*	*			cis	-169.8	146.3	10.1	-125.8	-176.1	106.1	0	0	110
190	T	29.7	Very low	36.4	Very low	104 Å²	104	144.1 Å²	144.1	64%	0.638	78%	0.777	S	S	*	*			trans	62.3	104.4	141.7	37.2	0	0	0	0	124
191	E	30.3	Very low	35.3	Very low	185 Å²	185	139.6 Å²	139.6	86%	0.864	78%	0.779	S	S	*	*				64.3	153	113.2	-80.3	-151.3	136	0	0	125.5
192	P	39.6	Very low	34.5	Very low	106 Å²	106	139.6 Å²	139.6	69%	0.688	78%	0.779	S	S	*	*			trans	-123.4	-140.7	-155.4	42.6	-20.8	0	0	0	111.1
193	P	54.3	Low	33.6	Very low	102 Å²	102	145.5 Å²	145.5	66%	0.662	79%	0.786	S	S	*	*			cis	-132.4	-166	-35.4	33.1	-11.6	0	0	0	113.8
194	K	29	Very low	33	Very low	181 Å²	181	144.5 Å²	144.5	79%	0.787	78%	0.779	S	S	*	*			trans	108	136.1	158	-61	176.8	-176.9	176.1	0	114.4
195	N	26.9	Very low	32.9	Very low	153 Å²	153	142.1 Å²	142.1	82%	0.818	78%	0.777	S	S	*	*			cis	-159.9	155.5	20.5	-132.4	0.7	0	0	0	112
196	R	30.8	Very low	31.4	Very low	224 Å²	224	145.9 Å²	145.9	85%	0.845	78%	0.783	S	S	*	*			trans	-76.8	150.1	174.8	-81	174	164.5	172.6	-5.8	113.5
197	S	30.4	Very low	31.1	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	78%	0.777	S	S	*	*				-164.8	106.2	127.1	49.7	0	0	0	0	107.3
198	N	29.9	Very low	30.6	Very low	124 Å²	124	143.3 Å²	143.3	66%	0.663	77%	0.772	S	S	*	*				48	127.2	90.6	-87.3	32.6	0	0	0	112.1
199	E	27.7	Very low	30.4	Very low	159 Å²	159	145 Å²	145	74%	0.743	77%	0.773	S	S	*	*			cis	-159.7	130.5	24.9	-99.5	150.2	-160.7	0	0	108.2
200	H	30.3	Very low	30.2	Very low	169 Å²	169	145.5 Å²	145.5	78%	0.782	78%	0.778	S	S	*	*				54.9	116.3	103.5	-79.1	36.4	0	0	0	117.8
201	S	27.6	Very low	30.1	Very low	126 Å²	126	146.4 Å²	146.4	88%	0.881	78%	0.783	S	S	*	*				-160.5	116.6	123.5	-80	0	0	0	0	111.2
202	N	28.1	Very low	30.2	Very low	152 Å²	152	144.7 Å²	144.7	81%	0.813	78%	0.78	S	S	*	*			trans	-71	140.2	172.6	-76.2	-31.8	0	0	0	110.9
203	Y	26.7	Very low	29.6	Very low	234 Å²	234	147.9 Å²	147.9	92%	0.918	79%	0.791	S	S	*	*			trans	-125.1	127.1	147.9	-141.6	-92.6	0	0	0	109.9
204	S	26.5	Very low	28.5	Very low	91 Å²	91	149.2 Å²	149.2	64%	0.636	80%	0.797	S	S	*	*			trans	-85.4	128.7	-165.8	176.8	0	0	0	0	111.1
205	V	30.3	Very low	28.5	Very low	140 Å²	140	149.8 Å²	149.8	85%	0.848	80%	0.803	S	S	*	*			trans	-91.5	105.8	165.6	178.1	0	0	0	0	107.3	A207	V205-A207 PolarHBondContact O-N 3.04Å
206	K	26.7	Very low	28.5	Very low	186 Å²	186	153.2 Å²	153.2	81%	0.809	80%	0.804	S	S	*	*			trans	-83.3	104.9	166.9	-85.4	-177	176	178.6	0	109.1
207	A	27.3	Very low	28.3	Very low	94 Å²	94	149.2 Å²	149.2	78%	0.777	80%	0.8	S	S	*	*			trans	-82.8	114.7	156.3	0	0	0	0	0	107.8	V205	V205-A207 PolarHBondContact O-N 3.04Å
208	T	26.8	Very low	28.2	Very low	125 Å²	125	151.8 Å²	151.8	77%	0.767	80%	0.799	S	S	*	*			trans	-91.7	117.2	174.5	-38.2	0	0	0	0	108.7
209	V	29	Very low	28.1	Very low	121 Å²	121	151.4 Å²	151.4	73%	0.733	81%	0.806	S	S	*	*			trans	-58.2	132.2	168.1	174.2	0	0	0	0	109.4
210	L	27.4	Very low	28	Very low	167 Å²	167	148.3 Å²	148.3	87%	0.874	81%	0.808	S	S	*	*			trans	-119.4	114.9	162.1	-81.6	165.6	0	0	0	108.6
211	T	27.6	Very low	28.2	Very low	123 Å²	123	145.6 Å²	145.6	76%	0.755	81%	0.805	S	S	*	*			trans	-74.3	143.9	167.9	36	0	0	0	0	110.6
212	N	32.4	Very low	28.1	Very low	150 Å²	150	146.6 Å²	146.6	80%	0.802	80%	0.8	S	S	*	*			trans	-65.7	142.5	170.6	-69.6	-31.4	0	0	0	111.2
213	D	26.6	Very low	28.1	Very low	172 Å²	172	148.2 Å²	148.2	92%	0.92	80%	0.802	S	S	*	*			trans	-152.9	137.2	138.5	-90.2	-39.5	0	0	0	110.4
214	V	30.2	Very low	28	Very low	130 Å²	130	144.9 Å²	144.9	79%	0.788	80%	0.795	S	S	*	*			trans	-97.1	130.4	179.6	168.1	0	0	0	0	108.2
215	Q	29.6	Very low	27.9	Very low	193 Å²	193	147.7 Å²	147.7	90%	0.902	80%	0.802	S	S	*	*			trans	-155.3	135	148.5	-155.3	95.4	-19.1	0	0	111.5
216	R	26.8	Very low	27.6	Very low	226 Å²	226	149.6 Å²	149.6	85%	0.853	80%	0.802	S	S	*	*			trans	-82.6	134.8	178.5	169.9	-165.7	-117.4	158.4	-4.6	110.3
217	D	25.8	Very low	27.4	Very low	139 Å²	139	145.5 Å²	145.5	74%	0.743	80%	0.803	S	S	*	*				-174.3	164.7	122.6	-130.2	-18.3	0	0	0	115.3
218	Q	29.1	Very low	27.2	Very low	167 Å²	167	150 Å²	150	78%	0.78	81%	0.808	S	S	*	*			trans	-75.1	160.3	-164.7	-60.9	161.3	21.2	0	0	116.8
219	S	27.4	Very low	26.9	Very low	115 Å²	115	150.7 Å²	150.7	80%	0.804	81%	0.812	S	S	*	*			trans	135.1	126.3	132.5	-54.9	0	0	0	0	114.7
220	A	25.5	Very low	26.8	Very low	95 Å²	95	151.7 Å²	151.7	79%	0.785	82%	0.818	S	S	*	*			trans	-72.7	-176.9	169.2	0	0	0	0	0	111.4
221	P	35.6	Very low	26.6	Very low	111 Å²	111	146.9 Å²	146.9	72%	0.721	81%	0.809	S	S	*	*			cis	-143.7	176.5	9.6	36.7	-13.3	0	0	0	118.1
222	L	24.6	Very low	26.3	Very low	148 Å²	148	148.8 Å²	148.8	78%	0.775	81%	0.814	S	S	*	*			trans	8.8	134.4	159.1	-82.3	97.5	0	0	0	120.6
223	H	27.5	Very low	26	Very low	186 Å²	186	151 Å²	151	86%	0.861	82%	0.82	S	S	*	*			trans	-149.4	130.4	130.9	-112.3	-81.5	0	0	0	112.5
224	Q	24.7	Very low	25.9	Very low	164 Å²	164	147.6 Å²	147.6	77%	0.766	81%	0.81	S	S	*	*			trans	-69.2	150.9	166.9	-65	166.5	-34.3	0	0	110.7
225	L	25.2	Very low	25.8	Very low	149 Å²	149	151.6 Å²	151.6	78%	0.78	82%	0.817	S	S	*	*			trans	-172.2	101.6	144.9	-90.6	137.6	0	0	0	106.3
226	Q	23.6	Very low	25.5	Very low	181 Å²	181	146.9 Å²	146.9	85%	0.846	81%	0.805	S	S	*	*				78.2	126.2	91.9	-83.4	-178.9	-12.2	0	0	114
227	A	22.9	Very low	25.4	Very low	100 Å²	100	142.4 Å²	142.4	83%	0.826	80%	0.803	S	S	*	*			trans	-66.3	146.1	177	0	0	0	0	0	111.7
228	E	22.9	Very low	25.6	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.883	81%	0.808	S	S	*	*			trans	-144.9	123.1	149.4	-110.3	175.2	-162.6	0	0	111.4
229	T	21.4	Very low	25.8	Very low	139 Å²	139	140.5 Å²	140.5	85%	0.853	81%	0.805	S	S	*	*			trans	-56.2	133.6	165.9	11	0	0	0	0	112.5
230	V	25.3	Very low	26	Very low	142 Å²	142	140.5 Å²	140.5	86%	0.861	80%	0.802	S	S	*	*			trans	-133.5	125	153.5	178.2	0	0	0	0	108.3
231	G	23.8	Very low	26.5	Very low	66 Å²	66	141.8 Å²	141.8	68%	0.68	80%	0.802	S	S	*	*			trans	-80.1	151.3	-178.2	0	0	0	0	0	114.1
232	D	21.1	Very low	26.4	Very low	163 Å²	163	142.4 Å²	142.4	87%	0.872	80%	0.804	S	S	*	*			trans	49.5	105.4	136.9	-118.7	0.6	0	0	0	119.3
233	Q	26.9	Very low	26.8	Very low	196 Å²	196	144.2 Å²	144.2	92%	0.916	81%	0.809	S	S	*	*				-152.9	131.3	128.8	-107.7	177.9	21.5	0	0	111.4
234	S	23.9	Very low	27.3	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	80%	0.799	S	S	*	*			trans	-60.5	137.6	-175.3	52.6	0	0	0	0	115.7
235	F	27.6	Very low	28	Very low	213 Å²	213	139.9 Å²	139.9	93%	0.934	80%	0.803	S	S	*	*			trans	-145.9	144.3	139.4	-102.6	-81.7	0	0	0	111
236	S	23.8	Very low	28.8	Very low	95 Å²	95	136.6 Å²	136.6	66%	0.664	79%	0.786	S	S	*	*			trans	-78	157.1	-159.3	-30.6	0	0	0	0	115.3
237	T	24.6	Very low	29.5	Very low	132 Å²	132	133.4 Å²	133.4	81%	0.81	78%	0.779	S	S	*	*			trans	63.3	97.9	149	31.2	0	0	0	0	118.4
238	I	29.8	Very low	30.6	Very low	164 Å²	164	131.1 Å²	131.1	84%	0.841	77%	0.765	S	S	*	*				-147.9	125.1	122.1	-54.4	-173.6	0	0	0	107.6
239	S	33.2	Very low	32.1	Very low	102 Å²	102	123.3 Å²	123.3	71%	0.713	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.7	172.3	43.6	0	0	0	0	111.8
240	P	32.7	Very low	33.9	Very low	115 Å²	115	121.6 Å²	121.6	75%	0.747	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-73.5	140.7	173.5	29	-30.4	0	0	0	109.9	T242	P240-T242 PolarHBondContact O-N 3.49Å
241	P	35.4	Very low	35.6	Very low	122 Å²	122	118.8 Å²	118.8	79%	0.792	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-64.3	128.5	165.8	27	-28.7	0	0	0	108.2	E243	P241-E243 PolarHBondContact O-N 3.38Å; P241-E243 VanDerWaalsContact O-N 3.08Å
242	T	32.8	Very low	37.4	Very low	124 Å²	124	119.5 Å²	119.5	76%	0.761	69%	0.691	S	S	*	*			trans	-29.9	108.7	169.2	-51.5	0	0	0	0	112.1	P240 L244	P240-T242 PolarHBondContact O-N 3.49Å; T242-L244 PolarHBondContact O-N 2.91Å; T242-L244 VanDerWaalsContact O-N 3.16Å
243	E	33	Very low	39.4	Very low	186 Å²	186	115.1 Å²	115.1	87%	0.869	66%	0.664	S	S	*	*			trans	-60.7	113.9	166	-85.6	-179.4	142.4	0	0	109.1	P241	P241-E243 PolarHBondContact O-N 3.38Å; P241-E243 VanDerWaalsContact O-N 3.08Å
244	L	39	Very low	41.1	Very low	126 Å²	126	110.5 Å²	110.5	66%	0.66	65%	0.653	S	S	*	*			trans	-93.4	117.5	158.6	-73.1	156.5	0	0	0	106.9	T242 L246	T242-L244 PolarHBondContact O-N 2.91Å; T242-L244 VanDerWaalsContact O-N 3.16Å; L244-L246 HydrophobicContact CB-CB 4.3Å; L244-L246 HydrophobicContact CB-CD1 4.18Å; L244-L246 HydrophobicContact CB-CG 4.44Å; L244-L246 HydrophobicContact CD1-CD1 4.02Å; L244-L246 HydrophobicContact CD2-CD1 3.97Å; L244-L246 HydrophobicContact CG-CD1 4.28Å; L244-L246 PolarHBondContact O-N 3.49Å
245	P	38.6	Very low	42.9	Very low	132 Å²	132	111 Å²	111	86%	0.857	65%	0.654	S	S	*	*			trans	-79.8	63.5	156.6	32.8	-28.6	0	0	0	107.7	V247	P245-V247 PolarHBondContact O-N 3Å
246	L	41.8	Very low	44.7	Very low	80 Å²	80	102.7 Å²	102.7	42%	0.419	63%	0.629	S	S	.	*			trans	-82.4	111.5	165.7	-97.2	158.2	0	0	0	106.3	L244 G248	L244-L246 HydrophobicContact CB-CB 4.3Å; L244-L246 HydrophobicContact CB-CD1 4.18Å; L244-L246 HydrophobicContact CB-CG 4.44Å; L244-L246 HydrophobicContact CD1-CD1 4.02Å; L244-L246 HydrophobicContact CD2-CD1 3.97Å; L244-L246 HydrophobicContact CG-CD1 4.28Å; L244-L246 PolarHBondContact O-N 3.49Å; L246-G248 PolarHBondContact O-N 2.92Å
247	V	39.2	Very low	47.5	Very low	114 Å²	114	101.3 Å²	101.3	69%	0.691	62%	0.617	S	S	*	*			trans	-62.8	83.2	154	-179.9	0	0	0	0	105.8	P245 F249	P245-V247 PolarHBondContact O-N 3Å; V247-F249 HydrophobicContact CG1-CE2 4.35Å; V247-F249 HydrophobicContact CG1-CZ 4.26Å; V247-F249 PolarHBondContact O-N 3.17Å
248	G	45.5	Very low	50.6	Low	53 Å²	53	97 Å²	97	55%	0.546	59%	0.586	S	S	.	*			trans	-73.9	109.4	-176	0	0	0	0	0	109.2	L246	L246-G248 PolarHBondContact O-N 2.92Å
249	F	54.7	Low	53.6	Low	24 Å²	24	94.6 Å²	94.6	11%	0.105	57%	0.567	C	S	.	*	P	Polyproline II helix	trans	-70	143.9	165.1	-64.2	-83.8	0	0	0	108.2	V247 L251 I274 Q287 N325 L326	V247-F249 HydrophobicContact CG1-CE2 4.35Å; V247-F249 HydrophobicContact CG1-CZ 4.26Å; V247-F249 PolarHBondContact O-N 3.17Å; F249-L251 PolarHBondContact O-N 2.94Å; F249-I274 HydrophobicContact CB-CD1 3.61Å; F249-I274 HydrophobicContact CG-CD1 4.1Å; F249-Q287 PolarHBondContact O-NE2 2.86Å; F249-N325 HydrophobicContact CE1-CB 4.24Å; F249-N325 WeakPolarHBondContact CE1-OD1 3.39Å; F249-N325 HydrophobicContact CZ-CB 4.27Å; F249-L326 HydrophobicContact CD2-CB 4Å; F249-L326 HydrophobicContact CD2-CD1 3.71Å; F249-L326 HydrophobicContact CD2-CG 3.88Å; F249-L326 HydrophobicContact CE2-CB 4.22Å; F249-L326 HydrophobicContact CE2-CD1 4.24Å; F249-L326 HydrophobicContact CE2-CG 3.97Å; F249-L326 HydrophobicContact CG-CB 4.32Å; F249-L326 HydrophobicContact CG-CD1 4.49Å
250	P	59.7	Low	56.5	Low	103 Å²	103	90.1 Å²	90.1	67%	0.669	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-57.2	118.5	178	21	-29.9	0	0	0	109	T252	P250-T252 PolarHBondContact O-N 3.12Å
251	L	61	Low	59.5	Low	83 Å²	83	84.7 Å²	84.7	44%	0.435	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-58.8	123.7	176	-76.3	163.7	0	0	0	107.8	F249 K253 L276 Q287	F249-L251 PolarHBondContact O-N 2.94Å; L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.24Å; L251-L276 HydrophobicContact CD2-CB 3.9Å; L251-Q287 HydrophobicContact CD2-CG 4.49Å
252	T	60.3	Low	62.4	Low	81 Å²	81	80.4 Å²	80.4	50%	0.497	47%	0.469	S	S	.	.	S	Bend	trans	-75.5	-22.5	-177.5	43.3	0	0	0	0	112.1	P250 I274	P250-T252 PolarHBondContact O-N 3.12Å; T252-I274 PolarHBondContact N-O 3.27Å; T252-I274 PolarHBondContact OG1-N 3.15Å; T252-I274 VanDerWaalsContact OG1-N 3.17Å; T252-I274 PolarHBondContact OG1-O 3.02Å
253	K	63.2	Low	65.4	Low	72 Å²	72	77.1 Å²	77.1	31%	0.313	45%	0.445	S	S	.	.	S	Bend	trans	-157.3	152.4	-179.3	-58.3	-169.1	-174	-172.2	0	113.5	L251 E269 T271 Y275	L251-K253 VanDerWaalsContact C-N 3.31Å; L251-K253 PolarHBondContact O-N 3.24Å; K253-E269 WeakPolarHBondContact CD-OE2 3.43Å; K253-E269 WeakPolarHBondContact CE-OE2 3.46Å; K253-E269 IonicContact NZ-OE2 3.3Å; K253-E269 PolarHBondContact NZ-OE2 2.91Å; K253-T271 PolarHBondContact NZ-OG1 2.81Å; K253-Y275 HydrophobicContact CB-CE1 4.22Å; K253-Y275 HydrophobicContact CD-CE1 4.48Å
254	S	64.1	Low	68.3	Low	99 Å²	99	68.3 Å²	68.3	69%	0.692	40%	0.404	S	S	*	.			trans	-158.9	148.8	164.7	95.3	0	0	0	0	112.5
255	P	60.3	Low	70.9	Confident	110 Å²	110	64 Å²	64	71%	0.714	38%	0.381	S	S	*	.	S	Bend		-125.6	145.1	62.5	37.2	-26.1	0	0	0	116.3
256	G	65.4	Low	73.6	Confident	40 Å²	40	63 Å²	63	41%	0.412	37%	0.369	S	S	.	.	S	Bend	trans	106.6	134.3	163.6	0	0	0	0	0	114.7	W258	G256-W258 VanDerWaalsContact O-CD1 3.27Å; G256-W258 PolarHBondContact O-NE1 3.4Å; G256-W258 VanDerWaalsContact O-NE1 3.07Å
257	P	82.8	Confident	75.9	Confident	65 Å²	65	61.7 Å²	61.7	42%	0.422	37%	0.366	S	S	.	.			trans	-79.1	131.1	175.4	35.3	-34.8	0	0	0	110	L276 H278 L285	P257-L276 WeakPolarHBondContact CA-O 3.35Å; P257-L276 HydrophobicContact CB-CD2 4.26Å; P257-L276 HydrophobicContact CB-CG 4.3Å; P257-H278 HydrophobicContact CB-CB 3.96Å; P257-H278 HydrophobicContact CG-CB 4.27Å; P257-L285 HydrophobicContact CB-CD2 3.42Å; P257-L285 VanDerWaalsContact CB-CD2 3.42Å; P257-L285 HydrophobicContact CG-CD2 3.92Å
258	W	90.6	Very high	78.4	Confident	42 Å²	42	58.8 Å²	58.8	16%	0.159	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-93.1	158.4	-174.3	-53.8	94	0	0	0	110.6	G256 D260 H263 V264 S267 L276 I277 H278	G256-W258 VanDerWaalsContact O-CD1 3.27Å; G256-W258 PolarHBondContact O-NE1 3.4Å; G256-W258 VanDerWaalsContact O-NE1 3.07Å; W258-D260 VanDerWaalsContact C-N 3.34Å; W258-H263 HydrophobicContact CB-CB 4.31Å; W258-H263 HydrophobicContact CE3-CB 4.4Å; W258-H263 AromaticContact CE3-CD2 3.81Å; W258-H263 AromaticContact CE3-CE1 3.58Å; W258-H263 AromaticContact CE3-CG 3.69Å; W258-H263 AromaticContact CE3-ND1 3.55Å; W258-H263 AromaticContact CE3-NE2 3.77Å; W258-H263 AromaticContact CZ3-CE1 3.93Å; W258-H263 AromaticContact CZ3-NE2 3.82Å; W258-V264 HydrophobicContact CB-CG2 3.54Å; W258-V264 HydrophobicContact CD2-CG2 4.03Å; W258-V264 HydrophobicContact CG-CB 4.24Å; W258-V264 HydrophobicContact CG-CG2 3.31Å; W258-S267 WeakPolarHBondContact CH2-OG 3.4Å; W258-S267 VanDerWaalsContact CZ2-OG 3.32Å; W258-S267 WeakPolarHBondContact CZ2-OG 3.27Å; W258-S267 WeakPolarHBondContact CZ3-OG 3.17Å; W258-L276 PolarHBondContact N-O 3.43Å; W258-I277 HydrophobicContact CB-CD1 4.11Å; W258-I277 CarbonylContact O-C 3.4Å; W258-I277 VanDerWaalsContact O-CA 3.23Å; W258-I277 WeakPolarHBondContact O-CA 3.39Å; W258-I277 WeakPolarHBondContact O-CG2 3.4Å; W258-H278 PolarHBondContact O-N 2.9Å
259	R	92.7	Very high	80.6	Confident	113 Å²	113	58.8 Å²	58.8	43%	0.426	35%	0.345	S	S	.	.	S	Bend	trans	-71.6	-36.2	178.3	-70.2	-167.4	-64.8	-106.9	-1	111.8	H263 I277 Q280 Q343	R259-H263 HydrophobicContact CB-CB 4.39Å; R259-H263 PolarHBondContact N-ND1 3.06Å; R259-I277 WeakPolarHBondContact O-CG2 3.25Å; R259-Q280 VanDerWaalsContact CD-NE2 3.28Å; R259-Q280 HydrophobicContact CG-CG 4.06Å; R259-Q343 PolarHBondContact O-NE2 2.89Å
260	D	94.8	Very high	82.3	Confident	9 Å²	9	62.2 Å²	62.2	5%	0.048	37%	0.368	C	S	.	.	S	Bend	trans	-162.7	-177.8	177.5	53.7	35.3	0	0	0	108.6	W258 Q262 H263 V264 Y346 P472	W258-D260 VanDerWaalsContact C-N 3.34Å; D260-Q262 VanDerWaalsContact C-N 3.25Å; D260-Q262 PolarHBondContact O-N 3.12Å; D260-Q262 WeakPolarHBondContact OD1-CA 3.22Å; D260-Q262 WeakPolarHBondContact OD1-CB 3.48Å; D260-Q262 PolarHBondContact OD1-N 2.97Å; D260-H263 PolarHBondContact O-N 3.12Å; D260-H263 PolarHBondContact OD1-N 2.95Å; D260-V264 PolarHBondContact O-N 3.4Å; D260-Y346 HydrophobicContact CB-CE1 4.38Å; D260-Y346 PolarHBondContact OD2-OH 3.26Å; D260-P472 WeakPolarHBondContact OD2-CG 3.45Å
261	C	95.6	Very high	83.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-72.3	-17	-179.6	-66.2	0	0	0	0	113.8	V264 L265 C290 Q292 G298 W299 T300	C261-V264 WeakPolarHBondContact O-CB 3.24Å; C261-L265 PolarHBondContact O-N 3.25Å; C261-L265 VanDerWaalsContact O-N 3.11Å; C261-C290 VanDerWaalsContact CA-SG 3.51Å; C261-C290 HydrophobicContact CB-CB 3.5Å; C261-C290 WeakPolarHBondContact CB-SG 3Å; C261-C290 WeakPolarHBondContact SG-CA 3Å; C261-C290 WeakPolarHBondContact SG-CB 3.4Å; C261-C290 CovalentContact SG-SG 2.03Å; C261-C290 PolarHBondContact SG-SG 2.96Å; C261-Q292 PolarHBondContact O-NE2 3.11Å; C261-G298 WeakPolarHBondContact O-CA 3.44Å; C261-W299 WeakPolarHBondContact CB-O 3.39Å; C261-T300 VanDerWaalsContact CB-OG1 3.25Å; C261-T300 WeakPolarHBondContact CB-OG1 3.48Å; C261-T300 PolarHBondContact N-OG1 2.78Å; C261-T300 VanDerWaalsContact SG-CA 3.58Å; C261-T300 PolarHBondContact SG-OG1 3.36Å
262	Q	96.1	Very high	85.5	Confident	32 Å²	32	58 Å²	58	15%	0.15	35%	0.346	C	S	.	.	H	α-helix	trans	-71.7	-42.9	171.1	-178.7	61.2	44.9	0	0	109.9	D260 V264 L265 D266 G298 P472	D260-Q262 VanDerWaalsContact C-N 3.25Å; D260-Q262 PolarHBondContact O-N 3.12Å; D260-Q262 WeakPolarHBondContact OD1-CA 3.22Å; D260-Q262 WeakPolarHBondContact OD1-CB 3.48Å; D260-Q262 PolarHBondContact OD1-N 2.97Å; Q262-V264 PolarHBondContact O-N 3.34Å; Q262-L265 WeakPolarHBondContact O-CA 3.4Å; Q262-L265 WeakPolarHBondContact O-CB 3.22Å; Q262-L265 PolarHBondContact O-N 2.87Å; Q262-D266 PolarHBondContact NE2-OD1 3.14Å; Q262-D266 PolarHBondContact O-N 3.35Å; Q262-G298 PolarHBondContact N-O 3.35Å; Q262-P472 HydrophobicContact CB-CG 3.59Å; Q262-P472 HydrophobicContact CG-CG 3.95Å
263	H	94.6	Very high	87.1	Confident	56 Å²	56	54.4 Å²	54.4	26%	0.259	32%	0.324	S	S	.	.	H	α-helix	trans	-61.9	-32.4	174.1	-171.7	-154.1	0	0	0	112.2	W258 R259 D260 S267	W258-H263 HydrophobicContact CB-CB 4.31Å; W258-H263 HydrophobicContact CE3-CB 4.4Å; W258-H263 AromaticContact CE3-CD2 3.81Å; W258-H263 AromaticContact CE3-CE1 3.58Å; W258-H263 AromaticContact CE3-CG 3.69Å; W258-H263 AromaticContact CE3-ND1 3.55Å; W258-H263 AromaticContact CE3-NE2 3.77Å; W258-H263 AromaticContact CZ3-CE1 3.93Å; W258-H263 AromaticContact CZ3-NE2 3.82Å; R259-H263 HydrophobicContact CB-CB 4.39Å; R259-H263 PolarHBondContact N-ND1 3.06Å; D260-H263 PolarHBondContact O-N 3.12Å; D260-H263 PolarHBondContact OD1-N 2.95Å; H263-S267 PolarHBondContact O-N 3.22Å
264	V	94.1	Very high	88.6	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-46.4	169.1	178.2	0	0	0	0	110.8	W258 D260 C261 Q262 D266 S267 E269 Y275 I277 Q292	W258-V264 HydrophobicContact CB-CG2 3.54Å; W258-V264 HydrophobicContact CD2-CG2 4.03Å; W258-V264 HydrophobicContact CG-CB 4.24Å; W258-V264 HydrophobicContact CG-CG2 3.31Å; D260-V264 PolarHBondContact O-N 3.4Å; C261-V264 WeakPolarHBondContact O-CB 3.24Å; Q262-V264 PolarHBondContact O-N 3.34Å; V264-D266 VanDerWaalsContact C-N 3.35Å; V264-D266 PolarHBondContact O-N 3.33Å; V264-S267 PolarHBondContact O-N 2.85Å; V264-S267 PolarHBondContact O-OG 2.85Å; V264-E269 HydrophobicContact CG1-CB 3.54Å; V264-E269 HydrophobicContact CG1-CG 4.44Å; V264-E269 WeakPolarHBondContact O-CB 3.42Å; V264-E269 PolarHBondContact O-N 3.44Å; V264-Y275 HydrophobicContact CG1-CD1 3.6Å; V264-Y275 HydrophobicContact CG1-CD2 4.22Å; V264-Y275 HydrophobicContact CG1-CE1 3.47Å; V264-Y275 VanDerWaalsContact CG1-CE1 3.47Å; V264-Y275 HydrophobicContact CG1-CE2 4.12Å; V264-Y275 HydrophobicContact CG1-CG 3.97Å; V264-Y275 HydrophobicContact CG2-CD1 4.11Å; V264-Y275 HydrophobicContact CG2-CG 4.09Å; V264-I277 HydrophobicContact CG2-CD1 4.25Å; V264-Q292 VanDerWaalsContact CG1-NE2 3.28Å
265	L	94.5	Very high	90	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-42.8	-179.8	-174	63.2	0	0	0	111.4	C261 Q262 S267 G268 T270 Q292 Q296	C261-L265 PolarHBondContact O-N 3.25Å; C261-L265 VanDerWaalsContact O-N 3.11Å; Q262-L265 WeakPolarHBondContact O-CA 3.4Å; Q262-L265 WeakPolarHBondContact O-CB 3.22Å; Q262-L265 PolarHBondContact O-N 2.87Å; L265-S267 PolarHBondContact O-N 3.31Å; L265-G268 PolarHBondContact O-N 2.93Å; L265-T270 HydrophobicContact CD1-CG2 4.09Å; L265-Q292 HydrophobicContact CD1-CB 4.44Å; L265-Q296 WeakPolarHBondContact CD2-O 3.27Å
266	D	94.4	Very high	91.5	Very high	112 Å²	112	43.5 Å²	43.5	60%	0.599	26%	0.255	S	S	*	.	H	α-helix	trans	-64.1	-24.6	-179.3	-62.8	-20.9	0	0	0	112.5	Q262 V264 G268	Q262-D266 PolarHBondContact NE2-OD1 3.14Å; Q262-D266 PolarHBondContact O-N 3.35Å; V264-D266 VanDerWaalsContact C-N 3.35Å; V264-D266 PolarHBondContact O-N 3.33Å; D266-G268 PolarHBondContact O-N 3.4Å
267	S	91.4	Very high	92.8	Very high	53 Å²	53	41.6 Å²	41.6	37%	0.371	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.1	175	74.9	0	0	0	0	114.4	W258 H263 V264 L265	W258-S267 WeakPolarHBondContact CH2-OG 3.4Å; W258-S267 VanDerWaalsContact CZ2-OG 3.32Å; W258-S267 WeakPolarHBondContact CZ2-OG 3.27Å; W258-S267 WeakPolarHBondContact CZ3-OG 3.17Å; H263-S267 PolarHBondContact O-N 3.22Å; V264-S267 PolarHBondContact O-N 2.85Å; V264-S267 PolarHBondContact O-OG 2.85Å; L265-S267 PolarHBondContact O-N 3.31Å
268	G	91	Very high	93.2	Very high	53 Å²	53	40.6 Å²	40.6	55%	0.546	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	0.5	179.7	0	0	0	0	0	114.1	L265 D266 T270	L265-G268 PolarHBondContact O-N 2.93Å; D266-G268 PolarHBondContact O-N 3.4Å; G268-T270 PolarHBondContact O-N 3.04Å; G268-T270 VanDerWaalsContact O-N 3.16Å
269	E	90.8	Very high	93.1	Very high	52 Å²	52	38.7 Å²	38.7	24%	0.243	22%	0.218	C	C	.	.			trans	-81	94.4	177.3	-73.1	-68.7	177.2	0	0	111.5	K253 V264 Y275	K253-E269 WeakPolarHBondContact CD-OE2 3.43Å; K253-E269 WeakPolarHBondContact CE-OE2 3.46Å; K253-E269 IonicContact NZ-OE2 3.3Å; K253-E269 PolarHBondContact NZ-OE2 2.91Å; V264-E269 HydrophobicContact CG1-CB 3.54Å; V264-E269 HydrophobicContact CG1-CG 4.44Å; V264-E269 WeakPolarHBondContact O-CB 3.42Å; V264-E269 PolarHBondContact O-N 3.44Å; E269-Y275 HydrophobicContact CB-CE1 4.07Å; E269-Y275 HydrophobicContact CG-CE1 4.19Å; E269-Y275 PolarHBondContact OE2-OH 3.4Å
270	T	91.6	Very high	92.6	Very high	96 Å²	96	38.2 Å²	38.2	59%	0.589	22%	0.221	S	C	*	.			trans	-94.2	0.5	-175.3	54.6	0	0	0	0	114.6	L265 G268 Q292	L265-T270 HydrophobicContact CD1-CG2 4.09Å; G268-T270 PolarHBondContact O-N 3.04Å; G268-T270 VanDerWaalsContact O-N 3.16Å; T270-Q292 VanDerWaalsContact O-CB 3.24Å; T270-Q292 WeakPolarHBondContact O-CB 3.4Å
271	T	92.9	Very high	91.7	Very high	69 Å²	69	41 Å²	41	42%	0.423	24%	0.24	S	C	.	.	S	Bend	trans	-90.8	130.2	-178.6	-47.4	0	0	0	0	110.8	K253 Y275 Q292	K253-T271 PolarHBondContact NZ-OG1 2.81Å; T271-Y275 WeakPolarHBondContact O-CE2 3.41Å; T271-Y275 PolarHBondContact O-OH 3.42Å; T271-Q292 WeakPolarHBondContact O-CG 3.38Å
272	S	95.1	Very high	91	Very high	30 Å²	30	42.2 Å²	42.2	21%	0.21	25%	0.251	C	S	.	.			trans	-68.8	136.4	172	-56.5	0	0	0	0	110.9	C290 E291 Q292 S293	S272-C290 WeakPolarHBondContact CA-O 3.42Å; S272-C290 WeakPolarHBondContact CB-O 3.38Å; S272-E291 PolarHBondContact OG-OE1 3.37Å; S272-Q292 PolarHBondContact OG-N 2.9Å; S272-S293 PolarHBondContact OG-N 3.39Å
273	G	93.9	Very high	90.4	Very high	5 Å²	5	46.8 Å²	46.8	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-170	-175.5	0	0	0	0	0	113.3	Y275 W289 C290	G273-Y275 WeakPolarHBondContact O-CD2 3.32Å; G273-W289 CarbonylContact O-C 3.57Å; G273-W289 WeakPolarHBondContact O-CA 3.26Å; G273-C290 PolarHBondContact N-O 3.12Å; G273-C290 VanDerWaalsContact N-O 3.12Å; G273-C290 PolarHBondContact O-N 3.04Å
274	I	94	Very high	90	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.6	-179.8	-59.5	175.4	0	0	0	109.3	F249 T252 Q287 A288 W289 L326 N327	F249-I274 HydrophobicContact CB-CD1 3.61Å; F249-I274 HydrophobicContact CG-CD1 4.1Å; T252-I274 PolarHBondContact N-O 3.27Å; T252-I274 PolarHBondContact OG1-N 3.15Å; T252-I274 VanDerWaalsContact OG1-N 3.17Å; T252-I274 PolarHBondContact OG1-O 3.02Å; I274-Q287 HydrophobicContact CG2-CB 3.96Å; I274-Q287 HydrophobicContact CG2-CG 4.41Å; I274-A288 WeakPolarHBondContact CA-O 3.07Å; I274-W289 HydrophobicContact CG1-CE3 3.96Å; I274-W289 HydrophobicContact CG1-CZ3 4.46Å; I274-L326 HydrophobicContact CD1-CB 3.57Å; I274-L326 HydrophobicContact CD1-CD1 4.41Å; I274-L326 HydrophobicContact CG1-CB 4Å; I274-L326 HydrophobicContact CG2-CD1 3.97Å; I274-N327 VanDerWaalsContact CD1-OD1 3.26Å; I274-N327 WeakPolarHBondContact CD1-OD1 3.46Å
275	Y	92.6	Very high	89.8	Confident	3 Å²	3	54.2 Å²	54.2	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	155.6	178.5	-68.7	-95.6	0	0	0	110.8	K253 V264 E269 T271 G273 Q287 A288 C290	K253-Y275 HydrophobicContact CB-CE1 4.22Å; K253-Y275 HydrophobicContact CD-CE1 4.48Å; V264-Y275 HydrophobicContact CG1-CD1 3.6Å; V264-Y275 HydrophobicContact CG1-CD2 4.22Å; V264-Y275 HydrophobicContact CG1-CE1 3.47Å; V264-Y275 VanDerWaalsContact CG1-CE1 3.47Å; V264-Y275 HydrophobicContact CG1-CE2 4.12Å; V264-Y275 HydrophobicContact CG1-CG 3.97Å; V264-Y275 HydrophobicContact CG2-CD1 4.11Å; V264-Y275 HydrophobicContact CG2-CG 4.09Å; E269-Y275 HydrophobicContact CB-CE1 4.07Å; E269-Y275 HydrophobicContact CG-CE1 4.19Å; E269-Y275 PolarHBondContact OE2-OH 3.4Å; T271-Y275 WeakPolarHBondContact O-CE2 3.41Å; T271-Y275 PolarHBondContact O-OH 3.42Å; G273-Y275 WeakPolarHBondContact O-CD2 3.32Å; Y275-Q287 WeakPolarHBondContact O-CA 3.36Å; Y275-A288 PolarHBondContact N-O 2.95Å; Y275-A288 PolarHBondContact O-N 2.99Å; Y275-C290 HydrophobicContact CD2-CB 3.64Å; Y275-C290 HydrophobicContact CE2-CB 4.08Å
276	L	92.7	Very high	89.7	Confident	48 Å²	48	52.8 Å²	52.8	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	123	174.2	-167	66.7	0	0	0	109.6	L251 P257 W258 L285 Q287	L251-L276 HydrophobicContact CD2-CB 3.9Å; P257-L276 WeakPolarHBondContact CA-O 3.35Å; P257-L276 HydrophobicContact CB-CD2 4.26Å; P257-L276 HydrophobicContact CB-CG 4.3Å; W258-L276 PolarHBondContact N-O 3.43Å; L276-L285 HydrophobicContact CD1-CB 4.32Å; L276-L285 HydrophobicContact CD2-CD1 4.46Å; L276-L285 HydrophobicContact CD2-CD2 4.39Å; L276-L285 HydrophobicContact CG-CD2 4.31Å; L276-Q287 HydrophobicContact CD1-CG 4.09Å
277	I	92.8	Very high	89.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	-176.8	-52.9	-57.2	0	0	0	109.7	W258 R259 V264 L285 F286 A288 L340	W258-I277 HydrophobicContact CB-CD1 4.11Å; W258-I277 CarbonylContact O-C 3.4Å; W258-I277 VanDerWaalsContact O-CA 3.23Å; W258-I277 WeakPolarHBondContact O-CA 3.39Å; W258-I277 WeakPolarHBondContact O-CG2 3.4Å; R259-I277 WeakPolarHBondContact O-CG2 3.25Å; V264-I277 HydrophobicContact CG2-CD1 4.25Å; I277-L285 VanDerWaalsContact O-CA 3.31Å; I277-L285 WeakPolarHBondContact O-CA 3.37Å; I277-F286 HydrophobicContact CB-CD1 4.11Å; I277-F286 HydrophobicContact CB-CE1 3.54Å; I277-F286 HydrophobicContact CB-CE2 4.4Å; I277-F286 HydrophobicContact CB-CZ 3.69Å; I277-F286 HydrophobicContact CG1-CZ 4.21Å; I277-F286 HydrophobicContact CG2-CD1 4.4Å; I277-F286 HydrophobicContact CG2-CE1 3.46Å; I277-F286 VanDerWaalsContact CG2-CE1 3.46Å; I277-F286 HydrophobicContact CG2-CZ 3.68Å; I277-F286 PolarHBondContact N-O 3Å; I277-F286 PolarHBondContact O-N 3.44Å; I277-A288 HydrophobicContact CG1-CB 3.92Å; I277-L340 HydrophobicContact CG2-CD2 4.28Å
278	H	91.2	Very high	89.8	Confident	44 Å²	44	45.9 Å²	45.9	20%	0.204	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.1	176.1	-176.3	-127.1	0	0	0	110.9	P257 W258 Q280 N283 R284 L285	P257-H278 HydrophobicContact CB-CB 3.96Å; P257-H278 HydrophobicContact CG-CB 4.27Å; W258-H278 PolarHBondContact O-N 2.9Å; H278-Q280 PolarHBondContact O-N 3.48Å; H278-N283 PolarHBondContact NE2-OD1 2.86Å; H278-R284 WeakPolarHBondContact CA-O 3.23Å; H278-L285 HydrophobicContact CB-CD2 3.7Å
279	L	88.6	Confident	90	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	98	171.6	-61.9	170.2	0	0	0	108.3	S281 A282 N283 R284 F286 W339 L340	L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.19Å; L279-A282 HydrophobicContact CB-CB 4.18Å; L279-A282 PolarHBondContact O-N 3.35Å; L279-N283 WeakPolarHBondContact O-CA 3.43Å; L279-N283 PolarHBondContact O-N 3.3Å; L279-R284 HydrophobicContact CB-CB 4.41Å; L279-R284 HydrophobicContact CD1-CB 4.14Å; L279-R284 PolarHBondContact N-O 2.76Å; L279-R284 PolarHBondContact O-N 3.32Å; L279-F286 HydrophobicContact CD1-CD1 3.75Å; L279-F286 HydrophobicContact CD1-CE1 3.97Å; L279-F286 HydrophobicContact CD2-CD1 4.16Å; L279-F286 HydrophobicContact CD2-CE1 3.51Å; L279-F286 HydrophobicContact CD2-CZ 4.37Å; L279-F286 HydrophobicContact CG-CD1 3.71Å; L279-F286 HydrophobicContact CG-CE1 3.57Å; L279-W339 HydrophobicContact CB-CB 4.27Å; L279-W339 HydrophobicContact CD1-CB 3.86Å; L279-W339 HydrophobicContact CD2-CB 3.93Å; L279-W339 HydrophobicContact CG-CB 4.24Å; L279-L340 HydrophobicContact CD2-CB 4.35Å; L279-L340 HydrophobicContact CD2-CD2 3.59Å; L279-L340 HydrophobicContact CD2-CG 3.62Å
280	Q	81.6	Confident	90.3	Very high	104 Å²	104	43.1 Å²	43.1	49%	0.486	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-59.1	-44	-174.1	-60.9	-164.7	-43.3	0	0	112.1	R259 H278 A282 N283	R259-Q280 VanDerWaalsContact CD-NE2 3.28Å; R259-Q280 HydrophobicContact CG-CG 4.06Å; H278-Q280 PolarHBondContact O-N 3.48Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 3.32Å; Q280-N283 PolarHBondContact O-N 2.86Å
281	S	76.9	Confident	90.5	Very high	66 Å²	66	39.6 Å²	39.6	46%	0.462	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-66.4	-27.8	-177.2	-51	0	0	0	0	114	L279	L279-S281 VanDerWaalsContact C-N 3.32Å; L279-S281 PolarHBondContact O-N 3.19Å
282	A	81.1	Confident	90.6	Very high	26 Å²	26	36.9 Å²	36.9	22%	0.215	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-103.5	-9.1	-180	0	0	0	0	0	113.3	L279 Q280 R284 W339	L279-A282 HydrophobicContact CB-CB 4.18Å; L279-A282 PolarHBondContact O-N 3.35Å; Q280-A282 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 3.32Å; A282-R284 VanDerWaalsContact C-N 3.26Å; A282-R284 HydrophobicContact CB-CB 4.22Å; A282-R284 HydrophobicContact CB-CG 4.1Å; A282-R284 PolarHBondContact O-N 2.6Å; A282-W339 HydrophobicContact CB-CB 4.32Å; A282-W339 HydrophobicContact CB-CD2 3.58Å; A282-W339 HydrophobicContact CB-CE3 4Å; A282-W339 HydrophobicContact CB-CG 3.7Å; A282-W339 HydrophobicContact CB-CZ2 4.36Å
283	N	83.1	Confident	90.5	Very high	128 Å²	128	39.8 Å²	39.8	68%	0.684	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	47	47.5	-165.9	-165.4	29.6	0	0	0	113.1	H278 L279 Q280	H278-N283 PolarHBondContact NE2-OD1 2.86Å; L279-N283 WeakPolarHBondContact O-CA 3.43Å; L279-N283 PolarHBondContact O-N 3.3Å; Q280-N283 PolarHBondContact O-N 2.86Å
284	R	86.9	Confident	90.2	Very high	129 Å²	129	43.8 Å²	43.8	49%	0.487	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.5	-178.5	-75.2	-177.2	178.9	-174.7	0.4	111.6	H278 L279 A282	H278-R284 WeakPolarHBondContact CA-O 3.23Å; L279-R284 HydrophobicContact CB-CB 4.41Å; L279-R284 HydrophobicContact CD1-CB 4.14Å; L279-R284 PolarHBondContact N-O 2.76Å; L279-R284 PolarHBondContact O-N 3.32Å; A282-R284 VanDerWaalsContact C-N 3.26Å; A282-R284 HydrophobicContact CB-CB 4.22Å; A282-R284 HydrophobicContact CB-CG 4.1Å; A282-R284 PolarHBondContact O-N 2.6Å
285	L	89.8	Confident	89.9	Confident	83 Å²	83	45.9 Å²	45.9	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.6	174.9	-66.7	168.4	0	0	0	109.7	P257 L276 I277 H278	P257-L285 HydrophobicContact CB-CD2 3.42Å; P257-L285 VanDerWaalsContact CB-CD2 3.42Å; P257-L285 HydrophobicContact CG-CD2 3.92Å; L276-L285 HydrophobicContact CD1-CB 4.32Å; L276-L285 HydrophobicContact CD2-CD1 4.46Å; L276-L285 HydrophobicContact CD2-CD2 4.39Å; L276-L285 HydrophobicContact CG-CD2 4.31Å; I277-L285 VanDerWaalsContact O-CA 3.31Å; I277-L285 WeakPolarHBondContact O-CA 3.37Å; H278-L285 HydrophobicContact CB-CD2 3.7Å
286	F	91.2	Very high	89.8	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.4	172.7	75.4	-74.5	0	0	0	110.5	I277 L279 A288 L332 H336 L340	I277-F286 HydrophobicContact CB-CD1 4.11Å; I277-F286 HydrophobicContact CB-CE1 3.54Å; I277-F286 HydrophobicContact CB-CE2 4.4Å; I277-F286 HydrophobicContact CB-CZ 3.69Å; I277-F286 HydrophobicContact CG1-CZ 4.21Å; I277-F286 HydrophobicContact CG2-CD1 4.4Å; I277-F286 HydrophobicContact CG2-CE1 3.46Å; I277-F286 VanDerWaalsContact CG2-CE1 3.46Å; I277-F286 HydrophobicContact CG2-CZ 3.68Å; I277-F286 PolarHBondContact N-O 3Å; I277-F286 PolarHBondContact O-N 3.44Å; L279-F286 HydrophobicContact CD1-CD1 3.75Å; L279-F286 HydrophobicContact CD1-CE1 3.97Å; L279-F286 HydrophobicContact CD2-CD1 4.16Å; L279-F286 HydrophobicContact CD2-CE1 3.51Å; L279-F286 HydrophobicContact CD2-CZ 4.37Å; L279-F286 HydrophobicContact CG-CD1 3.71Å; L279-F286 HydrophobicContact CG-CE1 3.57Å; F286-A288 HydrophobicContact CD2-CB 4.43Å; F286-A288 HydrophobicContact CE2-CB 3.76Å; F286-A288 HydrophobicContact CZ-CB 4.42Å; F286-L332 HydrophobicContact CD2-CD1 3.98Å; F286-L332 HydrophobicContact CD2-CG 4.46Å; F286-L332 HydrophobicContact CE2-CD1 3.78Å; F286-L332 HydrophobicContact CE2-CD2 3.81Å; F286-L332 HydrophobicContact CE2-CG 4.1Å; F286-L332 HydrophobicContact CZ-CD2 4.48Å; F286-H336 HydrophobicContact CD2-CB 4.41Å; F286-H336 HydrophobicContact CE2-CB 4.5Å; F286-L340 HydrophobicContact CE1-CD2 4.12Å; F286-L340 HydrophobicContact CE1-CG 4.35Å; F286-L340 HydrophobicContact CE2-CD1 4.41Å; F286-L340 HydrophobicContact CZ-CD1 3.76Å; F286-L340 HydrophobicContact CZ-CD2 3.89Å; F286-L340 HydrophobicContact CZ-CG 3.99Å
287	Q	92.2	Very high	89.9	Confident	21 Å²	21	51.9 Å²	51.9	10%	0.098	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	138.6	177.5	-66.6	-177.3	-35.9	0	0	110.3	F249 L251 I274 Y275 L276 L326	F249-Q287 PolarHBondContact O-NE2 2.86Å; L251-Q287 HydrophobicContact CD2-CG 4.49Å; I274-Q287 HydrophobicContact CG2-CB 3.96Å; I274-Q287 HydrophobicContact CG2-CG 4.41Å; Y275-Q287 WeakPolarHBondContact O-CA 3.36Å; L276-Q287 HydrophobicContact CD1-CG 4.09Å; Q287-L326 HydrophobicContact CB-CD1 3.46Å; Q287-L326 VanDerWaalsContact CB-CD1 3.46Å; Q287-L326 WeakPolarHBondContact O-CD1 3.43Å
288	A	95.2	Very high	90	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	176.6	0	0	0	0	0	111.1	I274 Y275 I277 F286 T300 L332	I274-A288 WeakPolarHBondContact CA-O 3.07Å; Y275-A288 PolarHBondContact N-O 2.95Å; Y275-A288 PolarHBondContact O-N 2.99Å; I277-A288 HydrophobicContact CG1-CB 3.92Å; F286-A288 HydrophobicContact CD2-CB 4.43Å; F286-A288 HydrophobicContact CE2-CB 3.76Å; F286-A288 HydrophobicContact CZ-CB 4.42Å; A288-T300 HydrophobicContact CB-CG2 4Å; A288-L332 HydrophobicContact CB-CD1 4.34Å
289	W	96.3	Very high	90.3	Very high	47 Å²	47	49.9 Å²	49.9	18%	0.178	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.3	166.1	-176	-80.7	0	0	0	109.7	G273 I274 V301 N327 Y330	G273-W289 CarbonylContact O-C 3.57Å; G273-W289 WeakPolarHBondContact O-CA 3.26Å; I274-W289 HydrophobicContact CG1-CE3 3.96Å; I274-W289 HydrophobicContact CG1-CZ3 4.46Å; W289-V301 HydrophobicContact CB-CB 4.31Å; W289-V301 PolarHBondContact O-N 2.84Å; W289-N327 WeakPolarHBondContact CZ3-OD1 3.41Å; W289-Y330 HydrophobicContact CB-CE1 4.42Å; W289-Y330 WeakPolarHBondContact CB-OH 3.33Å
290	C	96.1	Very high	90.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.4	171	-62.9	0	0	0	0	109.8	C261 S272 G273 Y275 Q292 W299	C261-C290 VanDerWaalsContact CA-SG 3.51Å; C261-C290 HydrophobicContact CB-CB 3.5Å; C261-C290 WeakPolarHBondContact CB-SG 3Å; C261-C290 WeakPolarHBondContact SG-CA 3Å; C261-C290 WeakPolarHBondContact SG-CB 3.4Å; C261-C290 CovalentContact SG-SG 2.03Å; C261-C290 PolarHBondContact SG-SG 2.96Å; S272-C290 WeakPolarHBondContact CA-O 3.42Å; S272-C290 WeakPolarHBondContact CB-O 3.38Å; G273-C290 PolarHBondContact N-O 3.12Å; G273-C290 VanDerWaalsContact N-O 3.12Å; G273-C290 PolarHBondContact O-N 3.04Å; Y275-C290 HydrophobicContact CD2-CB 3.64Å; Y275-C290 HydrophobicContact CE2-CB 4.08Å; C290-Q292 HydrophobicContact CB-CG 4.35Å; C290-W299 WeakPolarHBondContact CA-O 3.39Å
291	E	96.7	Very high	91.6	Very high	21 Å²	21	45 Å²	45	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.1	171.2	-179.3	55.7	-112.3	0	0	109.2	S272 S293 Q294 G297 G298 W299 V301	S272-E291 PolarHBondContact OG-OE1 3.37Å; E291-S293 WeakPolarHBondContact OE1-CB 3.1Å; E291-S293 PolarHBondContact OE1-N 2.76Å; E291-S293 PolarHBondContact OE1-OG 2.9Å; E291-Q294 HydrophobicContact CG-CB 3.9Å; E291-Q294 HydrophobicContact CG-CG 4.18Å; E291-Q294 PolarHBondContact OE1-N 3Å; E291-G297 CarbonylContact O-C 3.53Å; E291-G297 WeakPolarHBondContact O-CA 3.21Å; E291-G298 PolarHBondContact O-N 3.13Å; E291-W299 HydrophobicContact CB-CB 4.05Å; E291-W299 PolarHBondContact N-O 2.84Å; E291-W299 PolarHBondContact O-N 3.36Å; E291-W299 VanDerWaalsContact O-N 3.15Å; E291-V301 HydrophobicContact CB-CG2 4Å
292	Q	94.9	Very high	92.6	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.056	22%	0.217	C	C	.	.			trans	-103.2	-19.2	-177.1	-55.4	-60.4	17.4	0	0	113.1	C261 V264 L265 T270 T271 S272 C290 G297	C261-Q292 PolarHBondContact O-NE2 3.11Å; V264-Q292 VanDerWaalsContact CG1-NE2 3.28Å; L265-Q292 HydrophobicContact CD1-CB 4.44Å; T270-Q292 VanDerWaalsContact O-CB 3.24Å; T270-Q292 WeakPolarHBondContact O-CB 3.4Å; T271-Q292 WeakPolarHBondContact O-CG 3.38Å; S272-Q292 PolarHBondContact OG-N 2.9Å; C290-Q292 HydrophobicContact CB-CG 4.35Å; Q292-G297 VanDerWaalsContact O-CA 3.28Å; Q292-G297 WeakPolarHBondContact O-CA 3.08Å
293	S	92.6	Very high	93.4	Very high	91 Å²	91	40.7 Å²	40.7	64%	0.636	21%	0.207	S	C	*	.	S	Bend	trans	-89.7	-23.8	-172.9	72.8	0	0	0	0	114	S272 E291	S272-S293 PolarHBondContact OG-N 3.39Å; E291-S293 WeakPolarHBondContact OE1-CB 3.1Å; E291-S293 PolarHBondContact OE1-N 2.76Å; E291-S293 PolarHBondContact OE1-OG 2.9Å
294	Q	87.4	Confident	94.2	Very high	89 Å²	89	35.8 Å²	35.8	42%	0.416	18%	0.179	S	C	.	.	S	Bend	trans	-105.1	147.1	-174.6	-60.9	-177.2	2.4	0	0	112.4	E291 Q296 G297	E291-Q294 HydrophobicContact CG-CB 3.9Å; E291-Q294 HydrophobicContact CG-CG 4.18Å; E291-Q294 PolarHBondContact OE1-N 3Å; Q294-Q296 VanDerWaalsContact C-N 3.3Å; Q294-Q296 PolarHBondContact O-N 3.26Å; Q294-G297 WeakPolarHBondContact O-CA 3.18Å; Q294-G297 PolarHBondContact O-N 3.41Å
295	A	87.9	Confident	94.7	Very high	45 Å²	45	29.9 Å²	29.9	37%	0.372	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	49	171.9	0	0	0	0	0	113.9	G297 W299	A295-G297 PolarHBondContact O-N 3.45Å; A295-W299 PolarHBondContact O-NE1 2.99Å
296	Q	90.6	Very high	95	Very high	177 Å²	177	29 Å²	29	83%	0.827	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	12.9	-178	-51.5	171.8	-1.5	0	0	115.5	L265 Q294	L265-Q296 WeakPolarHBondContact CD2-O 3.27Å; Q294-Q296 VanDerWaalsContact C-N 3.3Å; Q294-Q296 PolarHBondContact O-N 3.26Å
297	G	93.9	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	65.9	-172.1	175.1	0	0	0	0	0	114.5	E291 Q292 Q294 A295 W299 K471	E291-G297 CarbonylContact O-C 3.53Å; E291-G297 WeakPolarHBondContact O-CA 3.21Å; Q292-G297 VanDerWaalsContact O-CA 3.28Å; Q292-G297 WeakPolarHBondContact O-CA 3.08Å; Q294-G297 WeakPolarHBondContact O-CA 3.18Å; Q294-G297 PolarHBondContact O-N 3.41Å; A295-G297 PolarHBondContact O-N 3.45Å; G297-W299 VanDerWaalsContact C-N 3.34Å; G297-W299 VanDerWaalsContact O-CD1 3.31Å; G297-K471 PolarHBondContact O-NZ 3.13Å
298	G	96.3	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.			trans	79.1	18.3	177.2	0	0	0	0	0	114.1	C261 Q262 E291	C261-G298 WeakPolarHBondContact O-CA 3.44Å; Q262-G298 PolarHBondContact N-O 3.35Å; E291-G298 PolarHBondContact O-N 3.13Å
299	W	97.9	Very high	95.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.6	-174.7	-69.7	101.6	0	0	0	110.9	C261 C290 E291 A295 G297 K347 R349 M469 K471	C261-W299 WeakPolarHBondContact CB-O 3.39Å; C290-W299 WeakPolarHBondContact CA-O 3.39Å; E291-W299 HydrophobicContact CB-CB 4.05Å; E291-W299 PolarHBondContact N-O 2.84Å; E291-W299 PolarHBondContact O-N 3.36Å; E291-W299 VanDerWaalsContact O-N 3.15Å; A295-W299 PolarHBondContact O-NE1 2.99Å; G297-W299 VanDerWaalsContact C-N 3.34Å; G297-W299 VanDerWaalsContact O-CD1 3.31Å; W299-K347 HydrophobicContact CH2-CD 4.05Å; W299-K347 HydrophobicContact CH2-CG 4.15Å; W299-K347 HydrophobicContact CZ3-CG 4.32Å; W299-R349 HydrophobicContact CE3-CB 4.2Å; W299-R349 HydrophobicContact CH2-CB 3.47Å; W299-R349 VanDerWaalsContact CH2-CB 3.47Å; W299-R349 HydrophobicContact CH2-CG 4.42Å; W299-R349 HydrophobicContact CZ2-CB 4.12Å; W299-R349 HydrophobicContact CZ3-CB 3.52Å; W299-M469 HydrophobicContact CB-CB 4.07Å; W299-M469 HydrophobicContact CB-CG 4.08Å; W299-M469 HydrophobicContact CB-SD 3.59Å; W299-M469 VanDerWaalsContact CB-SD 3.59Å; W299-M469 HydrophobicContact CD2-CG 3.93Å; W299-M469 HydrophobicContact CD2-SD 3.92Å; W299-M469 HydrophobicContact CE3-CB 4.09Å; W299-M469 HydrophobicContact CE3-CG 3.61Å; W299-M469 HydrophobicContact CE3-SD 4.24Å; W299-M469 HydrophobicContact CG-CG 4.16Å; W299-M469 HydrophobicContact CG-SD 3.64Å; W299-M469 HydrophobicContact CZ3-CG 4.33Å; W299-K471 HydrophobicContact CD2-CB 3.85Å; W299-K471 HydrophobicContact CD2-CD 4.16Å; W299-K471 HydrophobicContact CE3-CB 3.43Å; W299-K471 VanDerWaalsContact CE3-CB 3.43Å; W299-K471 HydrophobicContact CH2-CB 4.03Å; W299-K471 HydrophobicContact CZ2-CB 4.39Å; W299-K471 HydrophobicContact CZ2-CD 4.12Å; W299-K471 HydrophobicContact CZ3-CB 3.53Å
300	T	97.8	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.8	168.8	-58.6	0	0	0	0	108.7	C261 A288 I302 L340 M469 I470	C261-T300 VanDerWaalsContact CB-OG1 3.25Å; C261-T300 WeakPolarHBondContact CB-OG1 3.48Å; C261-T300 PolarHBondContact N-OG1 2.78Å; C261-T300 VanDerWaalsContact SG-CA 3.58Å; C261-T300 PolarHBondContact SG-OG1 3.36Å; A288-T300 HydrophobicContact CB-CG2 4Å; T300-I302 PolarHBondContact O-N 2.84Å; T300-L340 HydrophobicContact CG2-CD1 4.28Å; T300-M469 CarbonylContact O-C 3.59Å; T300-M469 WeakPolarHBondContact O-CA 3.32Å; T300-M469 WeakPolarHBondContact O-CB 3.41Å; T300-I470 PolarHBondContact N-O 2.74Å; T300-I470 PolarHBondContact O-N 3Å
301	V	98.2	Very high	95.1	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	125.6	179.1	-180	0	0	0	0	109.2	W289 E291 R304 Y330 M469	W289-V301 HydrophobicContact CB-CB 4.31Å; W289-V301 PolarHBondContact O-N 2.84Å; E291-V301 HydrophobicContact CB-CG2 4Å; V301-R304 HydrophobicContact CG1-CB 4.3Å; V301-Y330 VanDerWaalsContact C-OH 3.24Å; V301-Y330 WeakPolarHBondContact CB-OH 3.02Å; V301-Y330 HydrophobicContact CG1-CE1 4.24Å; V301-Y330 VanDerWaalsContact CG1-OH 3.27Å; V301-Y330 WeakPolarHBondContact CG1-OH 3.28Å; V301-Y330 PolarHBondContact O-OH 2.93Å; V301-M469 HydrophobicContact CG2-CB 4.11Å
302	I	98.4	Very high	95.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-22.9	-174.8	60.4	164.1	0	0	0	112.7	T300 L332 L337 L348 F367 M468 I470	T300-I302 PolarHBondContact O-N 2.84Å; I302-L332 HydrophobicContact CB-CB 4.44Å; I302-L332 HydrophobicContact CB-CD2 4.44Å; I302-L332 HydrophobicContact CG2-CD2 3.96Å; I302-L332 WeakPolarHBondContact O-CB 3.41Å; I302-L332 PolarHBondContact O-N 3.48Å; I302-L337 HydrophobicContact CB-CD1 4.49Å; I302-L337 HydrophobicContact CB-CD2 3.82Å; I302-L337 HydrophobicContact CB-CG 4.4Å; I302-L337 HydrophobicContact CD1-CD2 3.61Å; I302-L337 HydrophobicContact CG1-CD2 4.3Å; I302-L337 HydrophobicContact CG2-CD2 3.62Å; I302-L337 HydrophobicContact CG2-CG 4.36Å; I302-L348 HydrophobicContact CD1-CD1 4.11Å; I302-F367 HydrophobicContact CD1-CE1 4.21Å; I302-F367 HydrophobicContact CD1-CZ 4.06Å; I302-M468 HydrophobicContact CD1-CB 3.99Å; I302-M468 HydrophobicContact CD1-CE 4.37Å; I302-M468 HydrophobicContact CG1-CB 3.68Å; I302-M468 VanDerWaalsContact CG1-O 3.22Å; I302-M468 WeakPolarHBondContact CG1-O 3.44Å; I302-M468 PolarHBondContact N-O 3.28Å; I302-I470 HydrophobicContact CD1-CG2 4Å; I302-I470 HydrophobicContact CG2-CD1 4.01Å; I302-I470 HydrophobicContact CG2-CG1 3.89Å; I302-I470 HydrophobicContact CG2-CG2 4.37Å
303	Q	98.6	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.8	176.3	-171.2	-96	43.5	0	0	109.2	F312 Y330 W331 L433 N434 S467 M468	Q303-F312 HydrophobicContact CG-CE1 4.13Å; Q303-Y330 WeakPolarHBondContact CA-O 3.17Å; Q303-W331 HydrophobicContact CB-CE3 3.81Å; Q303-W331 HydrophobicContact CB-CZ3 4.01Å; Q303-W331 HydrophobicContact CG-CE3 3.71Å; Q303-W331 HydrophobicContact CG-CZ3 4.12Å; Q303-L433 PolarHBondContact NE2-O 3.42Å; Q303-N434 PolarHBondContact NE2-OD1 3.43Å; Q303-S467 WeakPolarHBondContact O-CA 3.39Å; Q303-M468 HydrophobicContact CB-CB 4.04Å; Q303-M468 HydrophobicContact CB-CG 4.22Å; Q303-M468 HydrophobicContact CB-SD 4.11Å; Q303-M468 PolarHBondContact N-O 2.95Å; Q303-M468 PolarHBondContact O-N 2.99Å
304	R	98.5	Very high	95.5	Very high	25 Å²	25	32.3 Å²	32.3	9%	0.094	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.9	173.2	-173.1	164.9	60.9	-159.9	-5.5	112.2	V301 L326 N327 G328 E329 Y330 V466	V301-R304 HydrophobicContact CG1-CB 4.3Å; R304-L326 PolarHBondContact NH2-O 2.97Å; R304-N327 VanDerWaalsContact NH2-C 3.28Å; R304-G328 VanDerWaalsContact CZ-O 3.23Å; R304-G328 PolarHBondContact NE-O 3.19Å; R304-G328 PolarHBondContact NH2-O 2.97Å; R304-E329 VanDerWaalsContact O-CA 3.23Å; R304-E329 WeakPolarHBondContact O-CA 3.18Å; R304-E329 WeakPolarHBondContact O-CB 3.4Å; R304-Y330 HydrophobicContact CB-CD1 4.28Å; R304-Y330 HydrophobicContact CB-CE1 4.2Å; R304-Y330 PolarHBondContact N-O 3.25Å; R304-Y330 PolarHBondContact O-N 2.71Å; R304-V466 WeakPolarHBondContact CA-O 3.42Å
305	R	98.4	Very high	96	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.5	170.6	-44.7	-59.3	-63	-86	7.1	109.3	F312 E329 L433 G435 V451 K465 V466	R305-F312 VanDerWaalsContact CD-CE2 3.5Å; R305-E329 WeakPolarHBondContact CA-OE1 3.31Å; R305-E329 IonicContact NE-OE2 3.53Å; R305-L433 PolarHBondContact NH1-O 2.86Å; R305-G435 PolarHBondContact NH1-O 3.4Å; R305-G435 PolarHBondContact NH2-O 3Å; R305-V451 HydrophobicContact CG-CG1 4.44Å; R305-K465 CarbonylContact O-C 3.57Å; R305-K465 VanDerWaalsContact O-CA 3.24Å; R305-K465 WeakPolarHBondContact O-CA 3.4Å; R305-V466 HydrophobicContact CB-CB 4.09Å; R305-V466 HydrophobicContact CG-CB 4.14Å; R305-V466 PolarHBondContact N-O 2.95Å; R305-V466 PolarHBondContact O-N 3.3Å; R305-V466 VanDerWaalsContact O-O 3.13Å
306	Q	96.5	Very high	96.5	Very high	65 Å²	65	27.8 Å²	27.8	30%	0.304	15%	0.15	S	C	.	.	S	Bend	trans	-157.2	-26.8	-178.8	67.8	-176.3	20.7	0	0	115.1	E329 K464 K465	Q306-E329 HydrophobicContact CG-CG 3.92Å; Q306-E329 PolarHBondContact N-OE1 3.29Å; Q306-K464 CarbonylContact C-O 3.58Å; Q306-K464 WeakPolarHBondContact CA-O 3.47Å; Q306-K465 HydrophobicContact CB-CG 4.26Å
307	D	94.8	Very high	96.8	Very high	69 Å²	69	23.7 Å²	23.7	37%	0.369	13%	0.13	S	C	.	.	S	Bend	trans	-149.1	-5.8	-166.9	57.1	24.9	0	0	0	115	S309 E329	D307-S309 VanDerWaalsContact C-N 3.26Å; D307-S309 PolarHBondContact O-N 2.92Å; D307-S309 WeakPolarHBondContact OD1-CB 3.32Å; D307-S309 PolarHBondContact OD1-N 2.79Å; D307-S309 PolarHBondContact OD1-OG 2.72Å; D307-E329 PolarHBondContact N-OE1 2.83Å; D307-E329 VanDerWaalsContact OD1-CD 3.31Å; D307-E329 WeakPolarHBondContact OD1-CG 3.34Å
308	G	94.4	Very high	97	Very high	33 Å²	33	26.5 Å²	26.5	34%	0.34	14%	0.143	S	C	.	.	S	Bend	trans	69.4	19.8	-177.2	0	0	0	0	0	114.2	V310 E329	G308-V310 VanDerWaalsContact C-N 3.28Å; G308-V310 PolarHBondContact O-N 3.22Å; G308-E329 WeakPolarHBondContact CA-OE2 3.41Å; G308-E329 VanDerWaalsContact N-CD 3.31Å; G308-E329 PolarHBondContact N-OE1 3.13Å; G308-E329 PolarHBondContact N-OE2 2.8Å
309	S	93.4	Very high	97.1	Very high	60 Å²	60	26.5 Å²	26.5	42%	0.42	14%	0.143	S	C	.	.			trans	-68	-25.6	178.9	55.9	0	0	0	0	113.5	D307 E329	D307-S309 VanDerWaalsContact C-N 3.26Å; D307-S309 PolarHBondContact O-N 2.92Å; D307-S309 WeakPolarHBondContact OD1-CB 3.32Å; D307-S309 PolarHBondContact OD1-N 2.79Å; D307-S309 PolarHBondContact OD1-OG 2.72Å; S309-E329 PolarHBondContact N-OE2 2.82Å
310	V	95.7	Very high	97.1	Very high	22 Å²	22	28.1 Å²	28.1	13%	0.133	15%	0.151	C	C	.	.	S	Bend	trans	-114.1	134.5	-177.7	176.2	0	0	0	0	110.5	G308 F312 F323 E329	G308-V310 VanDerWaalsContact C-N 3.28Å; G308-V310 PolarHBondContact O-N 3.22Å; V310-F312 HydrophobicContact CB-CD2 4.47Å; V310-F312 HydrophobicContact CB-CE2 4.01Å; V310-F312 HydrophobicContact CG1-CD2 4.25Å; V310-F312 HydrophobicContact CG1-CE2 3.95Å; V310-F312 WeakPolarHBondContact O-CD2 3.47Å; V310-F323 HydrophobicContact CG1-CD2 3.77Å; V310-F323 HydrophobicContact CG1-CE2 4.05Å; V310-E329 HydrophobicContact CB-CB 3.91Å; V310-E329 HydrophobicContact CG2-CB 3.94Å; V310-E329 WeakPolarHBondContact CG2-O 3.2Å; V310-E329 PolarHBondContact N-OE2 3.08Å
311	N	94.9	Very high	97.1	Very high	30 Å²	30	32.6 Å²	32.6	16%	0.16	17%	0.171	C	C	.	.			trans	-78	124.7	172.1	172.9	39.3	0	0	0	111.2	I119 F313 R314	I119-N311 WeakPolarHBondContact CD1-ND2 3.23Å; I119-N311 HydrophobicContact CG2-CB 4.31Å; I119-N311 WeakPolarHBondContact CG2-ND2 3.31Å; N311-F313 PolarHBondContact ND2-O 3.37Å; N311-F313 PolarHBondContact OD1-N 3.06Å; N311-R314 VanDerWaalsContact O-CG 3.29Å; N311-R314 WeakPolarHBondContact O-CG 3.44Å; N311-R314 PolarHBondContact O-NE 3Å
312	F	98.1	Very high	97	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	18%	0.182	C	C	.	.			trans	-99.8	-5.9	177	-79.5	-112.4	0	0	0	113.3	Q303 R305 V310 R314 Y319 F323 E329 W331 N434	Q303-F312 HydrophobicContact CG-CE1 4.13Å; R305-F312 VanDerWaalsContact CD-CE2 3.5Å; V310-F312 HydrophobicContact CB-CD2 4.47Å; V310-F312 HydrophobicContact CB-CE2 4.01Å; V310-F312 HydrophobicContact CG1-CD2 4.25Å; V310-F312 HydrophobicContact CG1-CE2 3.95Å; V310-F312 WeakPolarHBondContact O-CD2 3.47Å; F312-R314 VanDerWaalsContact C-N 3.32Å; F312-R314 PolarHBondContact O-N 2.91Å; F312-Y319 WeakPolarHBondContact O-CE2 3.46Å; F312-Y319 PolarHBondContact O-OH 2.88Å; F312-F323 HydrophobicContact CB-CE2 4.45Å; F312-F323 HydrophobicContact CB-CZ 4.41Å; F312-F323 AromaticContact CD1-CE2 3.8Å; F312-F323 HydrophobicContact CD1-CE2 3.8Å; F312-F323 AromaticContact CD1-CZ 3.74Å; F312-F323 HydrophobicContact CD1-CZ 3.74Å; F312-F323 HydrophobicContact CD2-CE2 4.03Å; F312-F323 AromaticContact CE1-CE2 3.95Å; F312-F323 HydrophobicContact CE1-CE2 3.95Å; F312-F323 HydrophobicContact CE1-CZ 4.12Å; F312-F323 HydrophobicContact CE2-CE2 4.17Å; F312-F323 AromaticContact CG-CE2 3.84Å; F312-F323 HydrophobicContact CG-CE2 3.84Å; F312-F323 HydrophobicContact CG-CZ 4.05Å; F312-F323 HydrophobicContact CZ-CE2 4.13Å; F312-E329 HydrophobicContact CE2-CB 4.18Å; F312-W331 HydrophobicContact CE1-CB 4.2Å; F312-N434 WeakPolarHBondContact CB-O 3.37Å; F312-N434 HydrophobicContact CD1-CB 4.11Å
313	F	97.7	Very high	97	Very high	18 Å²	18	35 Å²	35	8%	0.079	19%	0.188	C	C	.	.			trans	-81.1	83.6	170.3	-168.1	-127.6	0	0	0	109.9	L115 N311 L402 A416 K420	L115-F313 HydrophobicContact CD2-CD1 3.35Å; L115-F313 HydrophobicContact CD2-CE1 3.46Å; L115-F313 VanDerWaalsContact CD2-CE1 3.46Å; N311-F313 PolarHBondContact ND2-O 3.37Å; N311-F313 PolarHBondContact OD1-N 3.06Å; F313-L402 HydrophobicContact CD1-CD2 4.27Å; F313-L402 HydrophobicContact CD2-CB 4.41Å; F313-L402 HydrophobicContact CD2-CD2 4.07Å; F313-L402 HydrophobicContact CE1-CD2 4.09Å; F313-L402 HydrophobicContact CE2-CB 3.54Å; F313-L402 HydrophobicContact CE2-CD2 3.88Å; F313-L402 HydrophobicContact CE2-CG 4.37Å; F313-L402 HydrophobicContact CG-CD2 4.28Å; F313-L402 HydrophobicContact CZ-CB 3.66Å; F313-L402 HydrophobicContact CZ-CD2 3.9Å; F313-L402 HydrophobicContact CZ-CG 4.36Å; F313-A416 VanDerWaalsContact CE2-O 3.3Å; F313-A416 WeakPolarHBondContact CE2-O 3.47Å; F313-K420 WeakPolarHBondContact CB-O 3.43Å; F313-K420 VanDerWaalsContact CD2-C 3.4Å; F313-K420 HydrophobicContact CD2-CB 4.22Å; F313-K420 HydrophobicContact CE2-CD 4.3Å; F313-K420 HydrophobicContact CG-CB 4.49Å; F313-K420 HydrophobicContact CZ-CD 4.32Å
314	R	96.5	Very high	96.9	Very high	32 Å²	32	36.9 Å²	36.9	12%	0.121	21%	0.207	C	C	.	.			trans	-129.2	163	-168.1	-63.4	-68.1	-173	176.9	3.4	111.2	I119 D123 N311 F312 Q318 Y319 F323 L402	I119-R314 VanDerWaalsContact CG2-NH1 3.35Å; D123-R314 IonicContact OD1-NH2 3.6Å; D123-R314 IonicContact OD2-CZ 2.64Å; D123-R314 IonicContact OD2-NH1 2.6Å; D123-R314 PolarHBondContact OD2-NH1 3.24Å; D123-R314 IonicContact OD2-NH2 3.45Å; D123-R314 PolarHBondContact OD2-NH2 2.96Å; N311-R314 VanDerWaalsContact O-CG 3.29Å; N311-R314 WeakPolarHBondContact O-CG 3.44Å; N311-R314 PolarHBondContact O-NE 3Å; F312-R314 VanDerWaalsContact C-N 3.32Å; F312-R314 PolarHBondContact O-N 2.91Å; R314-Q318 HydrophobicContact CB-CB 3.95Å; R314-Q318 VanDerWaalsContact CB-OE1 3.28Å; R314-Q318 VanDerWaalsContact CD-OE1 3.27Å; R314-Y319 HydrophobicContact CB-CD2 4.11Å; R314-Y319 HydrophobicContact CB-CE2 3.89Å; R314-F323 HydrophobicContact CB-CE1 4.2Å; R314-F323 HydrophobicContact CG-CD1 4.38Å; R314-F323 HydrophobicContact CG-CE1 4.16Å; R314-F323 HydrophobicContact CG-CE2 4.3Å; R314-F323 HydrophobicContact CG-CZ 4.12Å; R314-L402 WeakPolarHBondContact O-CD2 3.11Å
315	T	97.1	Very high	96.6	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.221	22%	0.216	C	C	.	.			trans	-77.3	170.4	-178.2	61.4	0	0	0	0	112.7	E317 Q318 Y319 L402 D403	T315-E317 PolarHBondContact O-N 2.79Å; T315-Q318 PolarHBondContact O-N 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.3Å; T315-Q318 PolarHBondContact OG1-OE1 3.36Å; T315-Y319 PolarHBondContact O-N 2.85Å; T315-Y319 VanDerWaalsContact O-N 3.08Å; T315-L402 HydrophobicContact CG2-CD1 4.46Å; T315-D403 VanDerWaalsContact CA-OD1 3.31Å; T315-D403 WeakPolarHBondContact CA-OD1 3.46Å; T315-D403 WeakPolarHBondContact CB-OD2 3.35Å
316	W	98.2	Very high	96.4	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-54	-50.3	176.5	179.9	-93.9	0	0	0	112.3	Q318 Y319 K320 E372 W375 Y376 F399 T401 D403 R404	W316-Q318 VanDerWaalsContact C-N 3.26Å; W316-Q318 PolarHBondContact O-N 3.09Å; W316-Y319 PolarHBondContact O-N 2.92Å; W316-Y319 VanDerWaalsContact O-N 3.13Å; W316-K320 WeakPolarHBondContact O-CB 3.33Å; W316-K320 PolarHBondContact O-N 2.91Å; W316-E372 HydrophobicContact CZ2-CG 4.17Å; W316-E372 PolarHBondContact NE1-OE1 3.29Å; W316-W375 HydrophobicContact CH2-CB 4.33Å; W316-W375 AromaticContact CH2-CE3 3.9Å; W316-W375 HydrophobicContact CH2-CE3 3.9Å; W316-W375 HydrophobicContact CZ2-CE3 4.5Å; W316-W375 HydrophobicContact CZ3-CE3 4.15Å; W316-Y376 AromaticContact CH2-CD2 3.82Å; W316-Y376 HydrophobicContact CH2-CD2 3.82Å; W316-Y376 HydrophobicContact CH2-CE2 4.36Å; W316-Y376 AromaticContact CZ2-CD2 3.58Å; W316-Y376 HydrophobicContact CZ2-CD2 3.58Å; W316-Y376 AromaticContact CZ2-CE2 3.66Å; W316-Y376 HydrophobicContact CZ2-CE2 3.66Å; W316-F399 HydrophobicContact CE3-CD1 4.43Å; W316-F399 HydrophobicContact CH2-CB 4.29Å; W316-F399 HydrophobicContact CZ3-CB 4.07Å; W316-F399 HydrophobicContact CZ3-CD1 4.06Å; W316-F399 WeakPolarHBondContact CZ3-O 3.26Å; W316-T401 HydrophobicContact CE3-CG2 4.19Å; W316-T401 PolarHBondContact N-OG1 2.94Å; W316-D403 PolarHBondContact N-OD1 2.8Å; W316-D403 PolarHBondContact N-OD2 3.2Å; W316-R404 HydrophobicContact CB-CB 4.28Å; W316-R404 VanDerWaalsContact CB-CD 3.5Å; W316-R404 HydrophobicContact CB-CG 4.03Å; W316-R404 HydrophobicContact CD2-CB 4.32Å; W316-R404 VanDerWaalsContact CD2-CD 3.43Å; W316-R404 HydrophobicContact CD2-CG 4.43Å; W316-R404 HydrophobicContact CE3-CB 3.87Å; W316-R404 HydrophobicContact CE3-CG 4.47Å; W316-R404 HydrophobicContact CG-CG 4.25Å
317	E	98	Very high	96.1	Very high	90 Å²	90	39.3 Å²	39.3	42%	0.421	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-37.2	-176.2	-170.2	56.6	-147.5	0	0	111.5	T315 K320 Q321	T315-E317 PolarHBondContact O-N 2.79Å; E317-K320 WeakPolarHBondContact O-CB 3.44Å; E317-K320 PolarHBondContact O-N 3.1Å; E317-Q321 WeakPolarHBondContact O-CG 3.41Å; E317-Q321 PolarHBondContact O-N 2.04Å; E317-Q321 WeakPolarHBondContact OE1-CG 3.2Å; E317-Q321 PolarHBondContact OE1-NE2 2.7Å
318	Q	97.8	Very high	96.1	Very high	59 Å²	59	36.3 Å²	36.3	28%	0.276	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-42.9	175.6	-68.2	175.4	-42.6	0	0	111.6	R314 T315 W316 K320 G322 F323	R314-Q318 HydrophobicContact CB-CB 3.95Å; R314-Q318 VanDerWaalsContact CB-OE1 3.28Å; R314-Q318 VanDerWaalsContact CD-OE1 3.27Å; T315-Q318 PolarHBondContact O-N 3.38Å; T315-Q318 WeakPolarHBondContact OG1-CG 3.3Å; T315-Q318 PolarHBondContact OG1-OE1 3.36Å; W316-Q318 VanDerWaalsContact C-N 3.26Å; W316-Q318 PolarHBondContact O-N 3.09Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 3.24Å; Q318-G322 CarbonylContact O-C 3.6Å; Q318-G322 WeakPolarHBondContact O-CA 3.31Å; Q318-G322 PolarHBondContact O-N 3.14Å; Q318-F323 HydrophobicContact CB-CD1 4.37Å
319	Y	98.7	Very high	96.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-31.4	174.1	-92	-77.9	0	0	0	113.1	F312 R314 T315 W316 F323 W331 G333 L334 F399 T401 G422	F312-Y319 WeakPolarHBondContact O-CE2 3.46Å; F312-Y319 PolarHBondContact O-OH 2.88Å; R314-Y319 HydrophobicContact CB-CD2 4.11Å; R314-Y319 HydrophobicContact CB-CE2 3.89Å; T315-Y319 PolarHBondContact O-N 2.85Å; T315-Y319 VanDerWaalsContact O-N 3.08Å; W316-Y319 PolarHBondContact O-N 2.92Å; W316-Y319 VanDerWaalsContact O-N 3.13Å; Y319-F323 AromaticContact CD1-CE1 3.87Å; Y319-F323 HydrophobicContact CD1-CE1 3.87Å; Y319-F323 HydrophobicContact CD1-CZ 4.41Å; Y319-F323 HydrophobicContact CD2-CE1 4.16Å; Y319-F323 AromaticContact CE1-CE1 3.8Å; Y319-F323 HydrophobicContact CE1-CE1 3.8Å; Y319-F323 AromaticContact CE1-CZ 3.88Å; Y319-F323 HydrophobicContact CE1-CZ 3.88Å; Y319-F323 HydrophobicContact CE2-CE1 4.09Å; Y319-F323 HydrophobicContact CE2-CZ 4.28Å; Y319-F323 HydrophobicContact CG-CE1 4.05Å; Y319-F323 AromaticContact CZ-CE1 3.9Å; Y319-F323 AromaticContact CZ-CZ 3.79Å; Y319-W331 AromaticContact CD1-CD1 3.71Å; Y319-W331 HydrophobicContact CD1-CD2 4.09Å; Y319-W331 AromaticContact CD1-CE2 3.83Å; Y319-W331 HydrophobicContact CD1-CG 4.04Å; Y319-W331 HydrophobicContact CD1-CZ2 4.45Å; Y319-W331 AromaticContact CD1-NE1 3.58Å; Y319-W331 HydrophobicContact CE1-CD2 4.17Å; Y319-W331 HydrophobicContact CE1-CG 4.18Å; Y319-W331 PolarHBondContact O-NE1 3.16Å; Y319-G333 WeakPolarHBondContact O-CA 3.5Å; Y319-L334 WeakPolarHBondContact O-CG 3.42Å; Y319-L334 PolarHBondContact O-N 2.86Å; Y319-F399 AromaticContact CD1-CE1 3.77Å; Y319-F399 HydrophobicContact CD1-CE1 3.77Å; Y319-F399 AromaticContact CD1-CZ 3.54Å; Y319-F399 HydrophobicContact CD1-CZ 3.54Å; Y319-F399 HydrophobicContact CD2-CE1 4.37Å; Y319-F399 HydrophobicContact CE1-CE1 4.42Å; Y319-F399 AromaticContact CE1-CZ 3.94Å; Y319-F399 HydrophobicContact CE1-CZ 3.94Å; Y319-F399 AromaticContact CG-CE1 3.74Å; Y319-F399 HydrophobicContact CG-CE1 3.74Å; Y319-F399 HydrophobicContact CG-CZ 4.02Å; Y319-T401 HydrophobicContact CD2-CG2 3.67Å; Y319-T401 HydrophobicContact CE2-CG2 4.39Å; Y319-T401 HydrophobicContact CG-CG2 4.15Å; Y319-G422 VanDerWaalsContact CZ-CA 3.5Å; Y319-G422 PolarHBondContact OH-N 3.14Å
320	K	98.1	Very high	96.5	Very high	36 Å²	36	32 Å²	32	16%	0.157	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-51.5	175.7	176.3	174	175.1	179.2	0	111.8	W316 E317 Q318 G333 L334 E335 E372 Y376	W316-K320 WeakPolarHBondContact O-CB 3.33Å; W316-K320 PolarHBondContact O-N 2.91Å; E317-K320 WeakPolarHBondContact O-CB 3.44Å; E317-K320 PolarHBondContact O-N 3.1Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 3.24Å; K320-G333 CarbonylContact O-C 3.55Å; K320-G333 WeakPolarHBondContact O-CA 3.47Å; K320-L334 PolarHBondContact O-N 2.76Å; K320-L334 VanDerWaalsContact O-N 3.1Å; K320-E335 HydrophobicContact CG-CB 4.23Å; K320-E335 PolarHBondContact O-N 3.09Å; K320-E335 VanDerWaalsContact O-N 3.14Å; K320-E372 WeakPolarHBondContact CE-OE2 3.31Å; K320-E372 IonicContact NZ-OE1 3.37Å; K320-E372 PolarHBondContact NZ-OE1 3.47Å; K320-E372 IonicContact NZ-OE2 2.66Å; K320-E372 PolarHBondContact NZ-OE2 2.93Å; K320-Y376 WeakPolarHBondContact CG-OH 3.29Å
321	Q	96.3	Very high	96.7	Very high	94 Å²	94	31.1 Å²	31.1	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-77.2	-31.2	-177	-60.1	-60.4	-18.8	0	0	113.4	E317 H336	E317-Q321 WeakPolarHBondContact O-CG 3.41Å; E317-Q321 PolarHBondContact O-N 2.04Å; E317-Q321 WeakPolarHBondContact OE1-CG 3.2Å; E317-Q321 PolarHBondContact OE1-NE2 2.7Å; Q321-H336 PolarHBondContact O-CE1 3.42Å; Q321-H336 VanDerWaalsContact O-CE1 3.32Å
322	G	97.4	Very high	96.8	Very high	23 Å²	23	30.1 Å²	30.1	24%	0.237	16%	0.163	C	C	.	.			trans	99.6	157.7	-170.2	0	0	0	0	0	112.2	Q318 W331	Q318-G322 CarbonylContact O-C 3.6Å; Q318-G322 WeakPolarHBondContact O-CA 3.31Å; Q318-G322 PolarHBondContact O-N 3.14Å; G322-W331 CarbonylContact C-O 3.58Å; G322-W331 WeakPolarHBondContact CA-O 3.32Å
323	F	97.9	Very high	96.8	Very high	33 Å²	33	30 Å²	30	15%	0.145	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	163.2	-179.2	58.9	-95.8	0	0	0	111.7	V310 F312 R314 Q318 Y319 Y330 W331	V310-F323 HydrophobicContact CG1-CD2 3.77Å; V310-F323 HydrophobicContact CG1-CE2 4.05Å; F312-F323 HydrophobicContact CB-CE2 4.45Å; F312-F323 HydrophobicContact CB-CZ 4.41Å; F312-F323 AromaticContact CD1-CE2 3.8Å; F312-F323 HydrophobicContact CD1-CE2 3.8Å; F312-F323 AromaticContact CD1-CZ 3.74Å; F312-F323 HydrophobicContact CD1-CZ 3.74Å; F312-F323 HydrophobicContact CD2-CE2 4.03Å; F312-F323 AromaticContact CE1-CE2 3.95Å; F312-F323 HydrophobicContact CE1-CE2 3.95Å; F312-F323 HydrophobicContact CE1-CZ 4.12Å; F312-F323 HydrophobicContact CE2-CE2 4.17Å; F312-F323 AromaticContact CG-CE2 3.84Å; F312-F323 HydrophobicContact CG-CE2 3.84Å; F312-F323 HydrophobicContact CG-CZ 4.05Å; F312-F323 HydrophobicContact CZ-CE2 4.13Å; R314-F323 HydrophobicContact CB-CE1 4.2Å; R314-F323 HydrophobicContact CG-CD1 4.38Å; R314-F323 HydrophobicContact CG-CE1 4.16Å; R314-F323 HydrophobicContact CG-CE2 4.3Å; R314-F323 HydrophobicContact CG-CZ 4.12Å; Q318-F323 HydrophobicContact CB-CD1 4.37Å; Y319-F323 AromaticContact CD1-CE1 3.87Å; Y319-F323 HydrophobicContact CD1-CE1 3.87Å; Y319-F323 HydrophobicContact CD1-CZ 4.41Å; Y319-F323 HydrophobicContact CD2-CE1 4.16Å; Y319-F323 AromaticContact CE1-CE1 3.8Å; Y319-F323 HydrophobicContact CE1-CE1 3.8Å; Y319-F323 AromaticContact CE1-CZ 3.88Å; Y319-F323 HydrophobicContact CE1-CZ 3.88Å; Y319-F323 HydrophobicContact CE2-CE1 4.09Å; Y319-F323 HydrophobicContact CE2-CZ 4.28Å; Y319-F323 HydrophobicContact CG-CE1 4.05Å; Y319-F323 AromaticContact CZ-CE1 3.9Å; Y319-F323 AromaticContact CZ-CZ 3.79Å; F323-Y330 CarbonylContact O-C 3.55Å; F323-Y330 VanDerWaalsContact O-CA 3.28Å; F323-Y330 WeakPolarHBondContact O-CA 3.28Å; F323-Y330 VanDerWaalsContact O-CB 3.31Å; F323-Y330 WeakPolarHBondContact O-CB 3.44Å; F323-W331 HydrophobicContact CD1-CB 4.11Å; F323-W331 HydrophobicContact CD2-CB 4.39Å; F323-W331 HydrophobicContact CE1-CB 3.7Å; F323-W331 AromaticContact CE1-CD1 3.95Å; F323-W331 HydrophobicContact CE1-CG 4.03Å; F323-W331 HydrophobicContact CE2-CB 4Å; F323-W331 HydrophobicContact CG-CB 4.44Å; F323-W331 HydrophobicContact CZ-CB 3.64Å; F323-W331 HydrophobicContact CZ-CG 4.29Å; F323-W331 PolarHBondContact N-O 3.01Å; F323-W331 PolarHBondContact O-N 2.9Å
324	G	96.3	Very high	96.8	Very high	38 Å²	38	29.2 Å²	29.2	39%	0.392	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	100.5	-156.5	176.7	0	0	0	0	0	113.1	E329	G324-E329 WeakPolarHBondContact CA-O 3.45Å
325	N	92.9	Very high	96.8	Very high	51 Å²	51	29 Å²	29	27%	0.273	16%	0.16	S	C	.	.			trans	-123.1	121.6	-175.2	-174.9	-19.4	0	0	0	110.7	F249 N327 G328 E329 Y330	F249-N325 HydrophobicContact CE1-CB 4.24Å; F249-N325 WeakPolarHBondContact CE1-OD1 3.39Å; F249-N325 HydrophobicContact CZ-CB 4.27Å; N325-N327 PolarHBondContact O-N 3.43Å; N325-N327 VanDerWaalsContact O-N 3.1Å; N325-N327 WeakPolarHBondContact OD1-CB 3.37Å; N325-N327 PolarHBondContact OD1-N 2.82Å; N325-G328 CarbonylContact O-C 3.59Å; N325-G328 WeakPolarHBondContact O-CA 3.19Å; N325-G328 PolarHBondContact O-N 3.08Å; N325-E329 PolarHBondContact N-O 3.46Å; N325-Y330 WeakPolarHBondContact O-CD1 3.33Å
326	L	93.5	Very high	96.8	Very high	14 Å²	14	29 Å²	29	7%	0.073	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.7	178.6	-70.1	179.2	0	0	0	113.7	F249 I274 Q287 R304 Y330	F249-L326 HydrophobicContact CD2-CB 4Å; F249-L326 HydrophobicContact CD2-CD1 3.71Å; F249-L326 HydrophobicContact CD2-CG 3.88Å; F249-L326 HydrophobicContact CE2-CB 4.22Å; F249-L326 HydrophobicContact CE2-CD1 4.24Å; F249-L326 HydrophobicContact CE2-CG 3.97Å; F249-L326 HydrophobicContact CG-CB 4.32Å; F249-L326 HydrophobicContact CG-CD1 4.49Å; I274-L326 HydrophobicContact CD1-CB 3.57Å; I274-L326 HydrophobicContact CD1-CD1 4.41Å; I274-L326 HydrophobicContact CG1-CB 4Å; I274-L326 HydrophobicContact CG2-CD1 3.97Å; Q287-L326 HydrophobicContact CB-CD1 3.46Å; Q287-L326 VanDerWaalsContact CB-CD1 3.46Å; Q287-L326 WeakPolarHBondContact O-CD1 3.43Å; R304-L326 PolarHBondContact NH2-O 2.97Å; L326-Y330 HydrophobicContact CD2-CD1 4.26Å; L326-Y330 HydrophobicContact CD2-CD2 3.71Å; L326-Y330 HydrophobicContact CD2-CE1 4.08Å; L326-Y330 HydrophobicContact CD2-CE2 3.54Å; L326-Y330 HydrophobicContact CD2-CG 4.06Å
327	N	90.8	Very high	96.7	Very high	81 Å²	81	28.8 Å²	28.8	43%	0.433	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.4	170.8	-67.7	-45.7	0	0	0	113.6	I274 W289 R304 N325	I274-N327 VanDerWaalsContact CD1-OD1 3.26Å; I274-N327 WeakPolarHBondContact CD1-OD1 3.46Å; W289-N327 WeakPolarHBondContact CZ3-OD1 3.41Å; R304-N327 VanDerWaalsContact NH2-C 3.28Å; N325-N327 PolarHBondContact O-N 3.43Å; N325-N327 VanDerWaalsContact O-N 3.1Å; N325-N327 WeakPolarHBondContact OD1-CB 3.37Å; N325-N327 PolarHBondContact OD1-N 2.82Å
328	G	94.4	Very high	96.7	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.143	C	C	.	.	S	Bend	trans	-138.7	-134.3	-178.6	0	0	0	0	0	111.9	R304 N325	R304-G328 VanDerWaalsContact CZ-O 3.23Å; R304-G328 PolarHBondContact NE-O 3.19Å; R304-G328 PolarHBondContact NH2-O 2.97Å; N325-G328 CarbonylContact O-C 3.59Å; N325-G328 WeakPolarHBondContact O-CA 3.19Å; N325-G328 PolarHBondContact O-N 3.08Å
329	E	98	Very high	96.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-80.9	137	173.5	-61.7	-167.2	151.6	0	0	111.9	R304 R305 Q306 D307 G308 S309 V310 F312 G324 N325	R304-E329 VanDerWaalsContact O-CA 3.23Å; R304-E329 WeakPolarHBondContact O-CA 3.18Å; R304-E329 WeakPolarHBondContact O-CB 3.4Å; R305-E329 WeakPolarHBondContact CA-OE1 3.31Å; R305-E329 IonicContact NE-OE2 3.53Å; Q306-E329 HydrophobicContact CG-CG 3.92Å; Q306-E329 PolarHBondContact N-OE1 3.29Å; D307-E329 PolarHBondContact N-OE1 2.83Å; D307-E329 VanDerWaalsContact OD1-CD 3.31Å; D307-E329 WeakPolarHBondContact OD1-CG 3.34Å; G308-E329 WeakPolarHBondContact CA-OE2 3.41Å; G308-E329 VanDerWaalsContact N-CD 3.31Å; G308-E329 PolarHBondContact N-OE1 3.13Å; G308-E329 PolarHBondContact N-OE2 2.8Å; S309-E329 PolarHBondContact N-OE2 2.82Å; V310-E329 HydrophobicContact CB-CB 3.91Å; V310-E329 HydrophobicContact CG2-CB 3.94Å; V310-E329 WeakPolarHBondContact CG2-O 3.2Å; V310-E329 PolarHBondContact N-OE2 3.08Å; F312-E329 HydrophobicContact CE2-CB 4.18Å; G324-E329 WeakPolarHBondContact CA-O 3.45Å; N325-E329 PolarHBondContact N-O 3.46Å
330	Y	98.4	Very high	96.4	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	165.6	176.8	72.5	-85.1	0	0	0	113	W289 V301 Q303 R304 F323 N325 L326 L332	W289-Y330 HydrophobicContact CB-CE1 4.42Å; W289-Y330 WeakPolarHBondContact CB-OH 3.33Å; V301-Y330 VanDerWaalsContact C-OH 3.24Å; V301-Y330 WeakPolarHBondContact CB-OH 3.02Å; V301-Y330 HydrophobicContact CG1-CE1 4.24Å; V301-Y330 VanDerWaalsContact CG1-OH 3.27Å; V301-Y330 WeakPolarHBondContact CG1-OH 3.28Å; V301-Y330 PolarHBondContact O-OH 2.93Å; Q303-Y330 WeakPolarHBondContact CA-O 3.17Å; R304-Y330 HydrophobicContact CB-CD1 4.28Å; R304-Y330 HydrophobicContact CB-CE1 4.2Å; R304-Y330 PolarHBondContact N-O 3.25Å; R304-Y330 PolarHBondContact O-N 2.71Å; F323-Y330 CarbonylContact O-C 3.55Å; F323-Y330 VanDerWaalsContact O-CA 3.28Å; F323-Y330 WeakPolarHBondContact O-CA 3.28Å; F323-Y330 VanDerWaalsContact O-CB 3.31Å; F323-Y330 WeakPolarHBondContact O-CB 3.44Å; N325-Y330 WeakPolarHBondContact O-CD1 3.33Å; L326-Y330 HydrophobicContact CD2-CD1 4.26Å; L326-Y330 HydrophobicContact CD2-CD2 3.71Å; L326-Y330 HydrophobicContact CD2-CE1 4.08Å; L326-Y330 HydrophobicContact CD2-CE2 3.54Å; L326-Y330 HydrophobicContact CD2-CG 4.06Å; Y330-L332 HydrophobicContact CE2-CB 4.23Å; Y330-L332 HydrophobicContact CE2-CD1 4.13Å
331	W	98.7	Very high	96.2	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.011	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.8	165.2	174.2	-103.7	0	0	0	108.4	Q303 F312 Y319 G322 F323 G333 L334 L337 F399 W424	Q303-W331 HydrophobicContact CB-CE3 3.81Å; Q303-W331 HydrophobicContact CB-CZ3 4.01Å; Q303-W331 HydrophobicContact CG-CE3 3.71Å; Q303-W331 HydrophobicContact CG-CZ3 4.12Å; F312-W331 HydrophobicContact CE1-CB 4.2Å; Y319-W331 AromaticContact CD1-CD1 3.71Å; Y319-W331 HydrophobicContact CD1-CD2 4.09Å; Y319-W331 AromaticContact CD1-CE2 3.83Å; Y319-W331 HydrophobicContact CD1-CG 4.04Å; Y319-W331 HydrophobicContact CD1-CZ2 4.45Å; Y319-W331 AromaticContact CD1-NE1 3.58Å; Y319-W331 HydrophobicContact CE1-CD2 4.17Å; Y319-W331 HydrophobicContact CE1-CG 4.18Å; Y319-W331 PolarHBondContact O-NE1 3.16Å; G322-W331 CarbonylContact C-O 3.58Å; G322-W331 WeakPolarHBondContact CA-O 3.32Å; F323-W331 HydrophobicContact CD1-CB 4.11Å; F323-W331 HydrophobicContact CD2-CB 4.39Å; F323-W331 HydrophobicContact CE1-CB 3.7Å; F323-W331 AromaticContact CE1-CD1 3.95Å; F323-W331 HydrophobicContact CE1-CG 4.03Å; F323-W331 HydrophobicContact CE2-CB 4Å; F323-W331 HydrophobicContact CG-CB 4.44Å; F323-W331 HydrophobicContact CZ-CB 3.64Å; F323-W331 HydrophobicContact CZ-CG 4.29Å; F323-W331 PolarHBondContact N-O 3.01Å; F323-W331 PolarHBondContact O-N 2.9Å; W331-G333 VanDerWaalsContact C-N 3.29Å; W331-G333 VanDerWaalsContact CD1-N 3.33Å; W331-G333 PolarHBondContact O-N 2.98Å; W331-L334 HydrophobicContact CZ2-CD2 3.7Å; W331-L334 HydrophobicContact CZ2-CG 4.01Å; W331-L337 HydrophobicContact CH2-CD1 3.91Å; W331-L337 HydrophobicContact CZ2-CD1 3.61Å; W331-F399 HydrophobicContact CH2-CE2 4.45Å; W331-F399 HydrophobicContact CZ2-CE2 4.36Å; W331-F399 HydrophobicContact CZ2-CZ 4.4Å; W331-W424 AromaticContact CH2-CH2 3.95Å; W331-W424 HydrophobicContact CH2-CH2 3.95Å
332	L	98	Very high	96.1	Very high	9 Å²	9	24.4 Å²	24.4	5%	0.047	13%	0.133	C	C	.	.			trans	-67.1	-28.4	-171.4	-170.5	69.9	0	0	0	113.8	F286 A288 I302 Y330 H336 L340	F286-L332 HydrophobicContact CD2-CD1 3.98Å; F286-L332 HydrophobicContact CD2-CG 4.46Å; F286-L332 HydrophobicContact CE2-CD1 3.78Å; F286-L332 HydrophobicContact CE2-CD2 3.81Å; F286-L332 HydrophobicContact CE2-CG 4.1Å; F286-L332 HydrophobicContact CZ-CD2 4.48Å; A288-L332 HydrophobicContact CB-CD1 4.34Å; I302-L332 HydrophobicContact CB-CB 4.44Å; I302-L332 HydrophobicContact CB-CD2 4.44Å; I302-L332 HydrophobicContact CG2-CD2 3.96Å; I302-L332 WeakPolarHBondContact O-CB 3.41Å; I302-L332 PolarHBondContact O-N 3.48Å; Y330-L332 HydrophobicContact CE2-CB 4.23Å; Y330-L332 HydrophobicContact CE2-CD1 4.13Å; L332-H336 HydrophobicContact CD2-CB 4.39Å; L332-H336 HydrophobicContact CG-CB 4.25Å; L332-H336 PolarHBondContact O-ND1 3.03Å; L332-L340 HydrophobicContact CD2-CD1 3.87Å
333	G	98.1	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.			trans	109.7	130.1	-175	0	0	0	0	0	112.2	Y319 K320 W331 E335 H336 L337	Y319-G333 WeakPolarHBondContact O-CA 3.5Å; K320-G333 CarbonylContact O-C 3.55Å; K320-G333 WeakPolarHBondContact O-CA 3.47Å; W331-G333 VanDerWaalsContact C-N 3.29Å; W331-G333 VanDerWaalsContact CD1-N 3.33Å; W331-G333 PolarHBondContact O-N 2.98Å; G333-E335 VanDerWaalsContact C-N 3.25Å; G333-E335 PolarHBondContact O-N 2.82Å; G333-H336 PolarHBondContact O-N 3.47Å; G333-L337 WeakPolarHBondContact O-CD1 3.39Å; G333-L337 PolarHBondContact O-N 2.85Å
334	L	98.5	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-35.2	-178.8	-68	159.3	0	0	0	112	Y319 K320 W331 L337 Y338 L369 Y376 F399 W424	Y319-L334 WeakPolarHBondContact O-CG 3.42Å; Y319-L334 PolarHBondContact O-N 2.86Å; K320-L334 PolarHBondContact O-N 2.76Å; K320-L334 VanDerWaalsContact O-N 3.1Å; W331-L334 HydrophobicContact CZ2-CD2 3.7Å; W331-L334 HydrophobicContact CZ2-CG 4.01Å; L334-L337 WeakPolarHBondContact O-CB 3.43Å; L334-L337 PolarHBondContact O-N 2.87Å; L334-Y338 WeakPolarHBondContact O-CB 3.16Å; L334-Y338 PolarHBondContact O-N 3.32Å; L334-L369 HydrophobicContact CD2-CD1 4.06Å; L334-Y376 HydrophobicContact CB-CD1 3.89Å; L334-Y376 HydrophobicContact CB-CD2 3.8Å; L334-Y376 HydrophobicContact CB-CE1 3.94Å; L334-Y376 HydrophobicContact CB-CE2 3.84Å; L334-Y376 HydrophobicContact CB-CG 3.8Å; L334-Y376 HydrophobicContact CD1-CD2 3.69Å; L334-Y376 HydrophobicContact CD1-CE2 4.09Å; L334-Y376 HydrophobicContact CD1-CG 4.23Å; L334-Y376 HydrophobicContact CD2-CD2 4.49Å; L334-Y376 HydrophobicContact CD2-CG 4.21Å; L334-Y376 HydrophobicContact CG-CD2 4.2Å; L334-Y376 HydrophobicContact CG-CG 4.31Å; L334-F399 HydrophobicContact CD1-CD1 3.6Å; L334-F399 HydrophobicContact CD1-CD2 4.42Å; L334-F399 HydrophobicContact CD1-CE1 3.76Å; L334-F399 HydrophobicContact CD1-CG 3.94Å; L334-F399 HydrophobicContact CD1-CZ 4.22Å; L334-F399 HydrophobicContact CD2-CD1 4.47Å; L334-F399 HydrophobicContact CD2-CD2 3.81Å; L334-F399 HydrophobicContact CD2-CE2 3.91Å; L334-F399 HydrophobicContact CD2-CG 4.08Å; L334-F399 HydrophobicContact CD2-CZ 4.28Å; L334-W424 HydrophobicContact CD2-CZ2 4.32Å
335	E	96.4	Very high	95.6	Very high	28 Å²	28	29.4 Å²	29.4	13%	0.131	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-44	179.5	-168.4	64.7	-169.2	0	0	111.1	K320 G333 Y338 W339 Y376	K320-E335 HydrophobicContact CG-CB 4.23Å; K320-E335 PolarHBondContact O-N 3.09Å; K320-E335 VanDerWaalsContact O-N 3.14Å; G333-E335 VanDerWaalsContact C-N 3.25Å; G333-E335 PolarHBondContact O-N 2.82Å; E335-Y338 PolarHBondContact O-N 3.38Å; E335-W339 PolarHBondContact O-N 3.46Å; E335-W339 VanDerWaalsContact O-N 3.14Å; E335-W339 PolarHBondContact OE1-NE1 3.16Å; E335-Y376 PolarHBondContact OE2-OH 3.32Å
336	H	95.7	Very high	95.8	Very high	36 Å²	36	27.1 Å²	27.1	17%	0.167	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-43.9	174.8	-58.7	130.3	0	0	0	111.4	F286 Q321 L332 G333 W339 L340	F286-H336 HydrophobicContact CD2-CB 4.41Å; F286-H336 HydrophobicContact CE2-CB 4.5Å; Q321-H336 PolarHBondContact O-CE1 3.42Å; Q321-H336 VanDerWaalsContact O-CE1 3.32Å; L332-H336 HydrophobicContact CD2-CB 4.39Å; L332-H336 HydrophobicContact CG-CB 4.25Å; L332-H336 PolarHBondContact O-ND1 3.03Å; G333-H336 PolarHBondContact O-N 3.47Å; H336-W339 PolarHBondContact O-N 3.06Å; H336-L340 WeakPolarHBondContact O-CB 3.47Å; H336-L340 VanDerWaalsContact O-CG 3.32Å; H336-L340 WeakPolarHBondContact O-CG 3.42Å; H336-L340 PolarHBondContact O-N 3.16Å
337	L	96.9	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.2	-87.4	151.6	0	0	0	112.9	I302 W331 G333 L334 L340 T341 F367 L369	I302-L337 HydrophobicContact CB-CD1 4.49Å; I302-L337 HydrophobicContact CB-CD2 3.82Å; I302-L337 HydrophobicContact CB-CG 4.4Å; I302-L337 HydrophobicContact CD1-CD2 3.61Å; I302-L337 HydrophobicContact CG1-CD2 4.3Å; I302-L337 HydrophobicContact CG2-CD2 3.62Å; I302-L337 HydrophobicContact CG2-CG 4.36Å; W331-L337 HydrophobicContact CH2-CD1 3.91Å; W331-L337 HydrophobicContact CZ2-CD1 3.61Å; G333-L337 WeakPolarHBondContact O-CD1 3.39Å; G333-L337 PolarHBondContact O-N 2.85Å; L334-L337 WeakPolarHBondContact O-CB 3.43Å; L334-L337 PolarHBondContact O-N 2.87Å; L337-L340 PolarHBondContact O-N 3.46Å; L337-T341 WeakPolarHBondContact O-CG2 3.35Å; L337-T341 PolarHBondContact O-N 2.88Å; L337-T341 PolarHBondContact O-OG1 2.74Å; L337-F367 HydrophobicContact CD2-CE1 3.78Å; L337-F367 HydrophobicContact CD2-CZ 4.04Å; L337-L369 HydrophobicContact CB-CD1 3.65Å
338	Y	97.1	Very high	96.4	Very high	35 Å²	35	25.1 Å²	25.1	14%	0.137	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-56.5	175.8	168	-107	0	0	0	110.1	L334 E335 L340 T341 Q342 L369 E370 P371	L334-Y338 WeakPolarHBondContact O-CB 3.16Å; L334-Y338 PolarHBondContact O-N 3.32Å; E335-Y338 PolarHBondContact O-N 3.38Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; Y338-L340 PolarHBondContact O-N 3.41Å; Y338-T341 PolarHBondContact O-N 2.92Å; Y338-T341 VanDerWaalsContact O-N 3.12Å; Y338-T341 PolarHBondContact O-OG1 3.21Å; Y338-T341 VanDerWaalsContact O-OG1 3.11Å; Y338-Q342 HydrophobicContact CD2-CG 4.16Å; Y338-Q342 HydrophobicContact CE1-CG 4.31Å; Y338-Q342 HydrophobicContact CE2-CG 3.73Å; Y338-Q342 WeakPolarHBondContact O-CG 3.44Å; Y338-Q342 PolarHBondContact O-N 3.42Å; Y338-Q342 VanDerWaalsContact O-N 3.12Å; Y338-L369 VanDerWaalsContact CD2-O 3.31Å; Y338-L369 WeakPolarHBondContact CD2-O 3.47Å; Y338-E370 WeakPolarHBondContact CD2-O 3.13Å; Y338-P371 HydrophobicContact CD2-CB 4.5Å; Y338-P371 HydrophobicContact CE1-CB 4.49Å; Y338-P371 HydrophobicContact CE2-CB 3.81Å; Y338-P371 HydrophobicContact CE2-CG 4.39Å
339	W	95.6	Very high	96.5	Very high	60 Å²	60	27.3 Å²	27.3	23%	0.227	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-35.8	-178.2	-69.3	117.2	0	0	0	113.8	L279 A282 E335 H336 Q342	L279-W339 HydrophobicContact CB-CB 4.27Å; L279-W339 HydrophobicContact CD1-CB 3.86Å; L279-W339 HydrophobicContact CD2-CB 3.93Å; L279-W339 HydrophobicContact CG-CB 4.24Å; A282-W339 HydrophobicContact CB-CB 4.32Å; A282-W339 HydrophobicContact CB-CD2 3.58Å; A282-W339 HydrophobicContact CB-CE3 4Å; A282-W339 HydrophobicContact CB-CG 3.7Å; A282-W339 HydrophobicContact CB-CZ2 4.36Å; E335-W339 PolarHBondContact O-N 3.46Å; E335-W339 VanDerWaalsContact O-N 3.14Å; E335-W339 PolarHBondContact OE1-NE1 3.16Å; H336-W339 PolarHBondContact O-N 3.06Å; W339-Q342 PolarHBondContact O-N 2.78Å
340	L	94.4	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-49.8	172.1	-79.8	172.6	0	0	0	110.6	I277 L279 F286 T300 L332 H336 L337 Y338 Q342 Q343 Y346 I470	I277-L340 HydrophobicContact CG2-CD2 4.28Å; L279-L340 HydrophobicContact CD2-CB 4.35Å; L279-L340 HydrophobicContact CD2-CD2 3.59Å; L279-L340 HydrophobicContact CD2-CG 3.62Å; F286-L340 HydrophobicContact CE1-CD2 4.12Å; F286-L340 HydrophobicContact CE1-CG 4.35Å; F286-L340 HydrophobicContact CE2-CD1 4.41Å; F286-L340 HydrophobicContact CZ-CD1 3.76Å; F286-L340 HydrophobicContact CZ-CD2 3.89Å; F286-L340 HydrophobicContact CZ-CG 3.99Å; T300-L340 HydrophobicContact CG2-CD1 4.28Å; L332-L340 HydrophobicContact CD2-CD1 3.87Å; H336-L340 WeakPolarHBondContact O-CB 3.47Å; H336-L340 VanDerWaalsContact O-CG 3.32Å; H336-L340 WeakPolarHBondContact O-CG 3.42Å; H336-L340 PolarHBondContact O-N 3.16Å; L337-L340 PolarHBondContact O-N 3.46Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; Y338-L340 PolarHBondContact O-N 3.41Å; L340-Q342 PolarHBondContact O-N 3.17Å; L340-Q343 VanDerWaalsContact O-CG 3.28Å; L340-Q343 WeakPolarHBondContact O-CG 3.34Å; L340-Q343 PolarHBondContact O-N 3.27Å; L340-Y346 WeakPolarHBondContact O-CE2 3.25Å; L340-I470 HydrophobicContact CB-CD1 4.26Å; L340-I470 HydrophobicContact CD1-CD1 4.12Å
341	T	94.8	Very high	96.6	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.049	13%	0.13	C	C	.	.	H	α-helix	trans	-75.3	-7.1	-175	59.5	0	0	0	0	114.2	L337 Y338 A344 F367 H368 L369 I470	L337-T341 WeakPolarHBondContact O-CG2 3.35Å; L337-T341 PolarHBondContact O-N 2.88Å; L337-T341 PolarHBondContact O-OG1 2.74Å; Y338-T341 PolarHBondContact O-N 2.92Å; Y338-T341 VanDerWaalsContact O-N 3.12Å; Y338-T341 PolarHBondContact O-OG1 3.21Å; Y338-T341 VanDerWaalsContact O-OG1 3.11Å; T341-A344 VanDerWaalsContact O-O 3.13Å; T341-F367 HydrophobicContact CG2-CD1 3.77Å; T341-F367 HydrophobicContact CG2-CE1 3.89Å; T341-H368 HydrophobicContact CG2-CB 4.46Å; T341-L369 PolarHBondContact OG1-N 3.33Å; T341-I470 HydrophobicContact CG2-CD1 4.27Å
342	Q	93.6	Very high	96.6	Very high	83 Å²	83	27.7 Å²	27.7	39%	0.388	13%	0.13	S	C	.	.	H	α-helix	trans	-86.9	-20	172.3	-69.7	-58.9	-41	0	0	113.8	Y338 W339 L340	Y338-Q342 HydrophobicContact CD2-CG 4.16Å; Y338-Q342 HydrophobicContact CE1-CG 4.31Å; Y338-Q342 HydrophobicContact CE2-CG 3.73Å; Y338-Q342 WeakPolarHBondContact O-CG 3.44Å; Y338-Q342 PolarHBondContact O-N 3.42Å; Y338-Q342 VanDerWaalsContact O-N 3.12Å; W339-Q342 PolarHBondContact O-N 2.78Å; L340-Q342 PolarHBondContact O-N 3.17Å
343	Q	91.4	Very high	96.6	Very high	40 Å²	40	28.4 Å²	28.4	19%	0.187	13%	0.133	C	C	.	.	H	α-helix	trans	-83.2	-21.7	-174.8	80.4	-162.1	-16.9	0	0	113.6	R259 L340 Y346	R259-Q343 PolarHBondContact O-NE2 2.89Å; L340-Q343 VanDerWaalsContact O-CG 3.28Å; L340-Q343 WeakPolarHBondContact O-CG 3.34Å; L340-Q343 PolarHBondContact O-N 3.27Å; Q343-Y346 HydrophobicContact CG-CE2 4.06Å; Q343-Y346 WeakPolarHBondContact CG-OH 3.4Å; Q343-Y346 PolarHBondContact NE2-OH 2.82Å
344	A	93.4	Very high	96.6	Very high	45 Å²	45	28.4 Å²	28.4	37%	0.372	13%	0.133	S	C	.	.	S	Bend	trans	-160.9	173.8	176.9	0	0	0	0	0	110.3	T341 Y346	T341-A344 VanDerWaalsContact O-O 3.13Å; A344-Y346 HydrophobicContact CB-CD2 4.4Å; A344-Y346 HydrophobicContact CB-CE2 3.77Å; A344-Y346 WeakPolarHBondContact O-CD2 3.35Å
345	K	96.2	Very high	96.5	Very high	115 Å²	115	31.4 Å²	31.4	50%	0.5	14%	0.144	S	C	.	.			trans	-77	125.6	166.6	-172.4	-178.1	176.3	-170.9	0	108.8	D365 P472 T473	K345-D365 WeakPolarHBondContact CE-O 3.48Å; K345-P472 WeakPolarHBondContact O-CA 3.21Å; K345-T473 WeakPolarHBondContact CG-OG1 3.29Å; K345-T473 PolarHBondContact O-N 2.87Å; K345-T473 PolarHBondContact O-OG1 3.26Å
346	Y	97.8	Very high	96.6	Very high	2 Å²	2	36 Å²	36	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.8	176.5	-74.1	-99.7	0	0	0	110.8	D260 L340 Q343 A344 S366 F367 I470 K471 P472	D260-Y346 HydrophobicContact CB-CE1 4.38Å; D260-Y346 PolarHBondContact OD2-OH 3.26Å; L340-Y346 WeakPolarHBondContact O-CE2 3.25Å; Q343-Y346 HydrophobicContact CG-CE2 4.06Å; Q343-Y346 WeakPolarHBondContact CG-OH 3.4Å; Q343-Y346 PolarHBondContact NE2-OH 2.82Å; A344-Y346 HydrophobicContact CB-CD2 4.4Å; A344-Y346 HydrophobicContact CB-CE2 3.77Å; A344-Y346 WeakPolarHBondContact O-CD2 3.35Å; Y346-S366 CarbonylContact O-C 3.44Å; Y346-S366 VanDerWaalsContact O-CA 3.27Å; Y346-S366 WeakPolarHBondContact O-CA 3.35Å; Y346-F367 PolarHBondContact O-N 3.08Å; Y346-I470 HydrophobicContact CD1-CB 4.08Å; Y346-I470 HydrophobicContact CD1-CD1 3.92Å; Y346-I470 HydrophobicContact CD1-CG1 3.96Å; Y346-I470 HydrophobicContact CE1-CD1 4.43Å; Y346-I470 HydrophobicContact CG-CD1 4.29Å; Y346-K471 CarbonylContact C-O 3.59Å; Y346-K471 WeakPolarHBondContact CA-O 3.39Å; Y346-K471 VanDerWaalsContact CD1-C 3.4Å; Y346-P472 HydrophobicContact CD1-CB 4.43Å; Y346-P472 HydrophobicContact CE1-CB 4.06Å; Y346-P472 HydrophobicContact CE1-CG 4.29Å
347	K	97.9	Very high	96.6	Very high	54 Å²	54	37.5 Å²	37.5	24%	0.235	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	153.9	161.6	57.5	175.7	175.8	-178.3	0	110	W299 Y364 I470 K471 T473	W299-K347 HydrophobicContact CH2-CD 4.05Å; W299-K347 HydrophobicContact CH2-CG 4.15Å; W299-K347 HydrophobicContact CZ3-CG 4.32Å; K347-Y364 VanDerWaalsContact CA-O 3.28Å; K347-Y364 WeakPolarHBondContact CA-O 3.35Å; K347-Y364 WeakPolarHBondContact CB-O 3.22Å; K347-I470 VanDerWaalsContact O-CA 3.22Å; K347-I470 WeakPolarHBondContact O-CA 3.49Å; K347-K471 HydrophobicContact CG-CB 4.34Å; K347-K471 WeakPolarHBondContact CG-O 3.42Å; K347-K471 PolarHBondContact N-O 3.28Å; K347-K471 PolarHBondContact O-N 3.14Å; K347-K471 VanDerWaalsContact O-N 3.08Å; K347-T473 HydrophobicContact CB-CG2 3.48Å; K347-T473 VanDerWaalsContact CB-CG2 3.48Å; K347-T473 HydrophobicContact CD-CG2 3.9Å; K347-T473 HydrophobicContact CG-CG2 3.55Å
348	L	98.5	Very high	96.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.5	174.9	172.2	70	0	0	0	109.5	I302 V350 E363 Y364 F367 L380 L391 M468 I470	I302-L348 HydrophobicContact CD1-CD1 4.11Å; L348-V350 HydrophobicContact CD1-CG2 4.31Å; L348-V350 HydrophobicContact CD2-CG2 3.99Å; L348-V350 HydrophobicContact CG-CG2 4.01Å; L348-E363 CarbonylContact O-C 3.2Å; L348-E363 WeakPolarHBondContact O-CA 3.2Å; L348-Y364 HydrophobicContact CD2-CD2 3.98Å; L348-Y364 HydrophobicContact CG-CD2 4.4Å; L348-Y364 PolarHBondContact N-O 3.31Å; L348-Y364 PolarHBondContact O-N 3.43Å; L348-F367 HydrophobicContact CB-CB 3.65Å; L348-F367 HydrophobicContact CB-CD2 4.13Å; L348-F367 HydrophobicContact CB-CG 3.92Å; L348-F367 HydrophobicContact CD2-CD2 3.78Å; L348-F367 HydrophobicContact CD2-CE2 4.18Å; L348-F367 HydrophobicContact CD2-CG 4.42Å; L348-F367 HydrophobicContact CG-CD2 4.38Å; L348-L380 HydrophobicContact CD2-CD2 4.11Å; L348-L391 HydrophobicContact CD2-CD2 3.69Å; L348-M468 HydrophobicContact CD1-CB 4.25Å; L348-M468 HydrophobicContact CD1-CE 4.13Å; L348-M468 HydrophobicContact CD2-CE 4.13Å; L348-I470 HydrophobicContact CB-CG2 4.47Å; L348-I470 HydrophobicContact CD1-CG2 3.91Å
349	R	98.3	Very high	96.7	Very high	53 Å²	53	48 Å²	48	20%	0.2	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.1	164.9	-178.5	177.9	-175.8	96	5.5	109.1	W299 V351 S361 A362 E363 M469	W299-R349 HydrophobicContact CE3-CB 4.2Å; W299-R349 HydrophobicContact CH2-CB 3.47Å; W299-R349 VanDerWaalsContact CH2-CB 3.47Å; W299-R349 HydrophobicContact CH2-CG 4.42Å; W299-R349 HydrophobicContact CZ2-CB 4.12Å; W299-R349 HydrophobicContact CZ3-CB 3.52Å; R349-V351 HydrophobicContact CG-CG2 4.06Å; R349-S361 PolarHBondContact NH2-OG 2.54Å; R349-A362 CarbonylContact C-O 3.55Å; R349-E363 HydrophobicContact CB-CG 3.85Å; R349-E363 WeakPolarHBondContact CD-OE1 3.44Å; R349-E363 HydrophobicContact CG-CG 3.72Å; R349-E363 IonicContact CZ-OE1 2.74Å; R349-E363 IonicContact NE-OE1 3.74Å; R349-E363 IonicContact NH1-OE1 3.8Å; R349-E363 PolarHBondContact NH1-OE1 2.82Å; R349-M469 HydrophobicContact CB-CG 4.1Å; R349-M469 HydrophobicContact CG-CE 4.36Å; R349-M469 PolarHBondContact N-O 3.49Å; R349-M469 PolarHBondContact O-N 2.92Å
350	V	98.6	Very high	96.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.2	173.8	-172.8	0	0	0	0	107.7	L348 L352 S361 A362 L433 W453 S467 M468	L348-V350 HydrophobicContact CD1-CG2 4.31Å; L348-V350 HydrophobicContact CD2-CG2 3.99Å; L348-V350 HydrophobicContact CG-CG2 4.01Å; V350-L352 HydrophobicContact CG1-CD2 3.64Å; V350-L352 HydrophobicContact CG1-CG 4.22Å; V350-S361 CarbonylContact O-C 3.6Å; V350-S361 WeakPolarHBondContact O-CA 3.41Å; V350-A362 HydrophobicContact CB-CB 4.33Å; V350-A362 PolarHBondContact N-O 3.18Å; V350-A362 PolarHBondContact O-N 3.49Å; V350-L433 HydrophobicContact CG1-CD1 3.69Å; V350-W453 HydrophobicContact CG1-CZ3 4.29Å; V350-S467 WeakPolarHBondContact CA-O 3.36Å; V350-M468 HydrophobicContact CG1-CG 4.21Å; V350-M468 HydrophobicContact CG2-CE 4.42Å; V350-M468 HydrophobicContact CG2-CG 4.18Å
351	V	98.3	Very high	97	Very high	13 Å²	13	46.7 Å²	46.7	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.4	176.5	179.5	0	0	0	0	108.8	R349 Q359 V466 S467 M469	R349-V351 HydrophobicContact CG-CG2 4.06Å; V351-Q359 HydrophobicContact CG1-CG 3.69Å; V351-V466 CarbonylContact O-C 3.56Å; V351-V466 WeakPolarHBondContact O-CA 3.42Å; V351-S467 PolarHBondContact N-O 3.39Å; V351-S467 PolarHBondContact O-N 3.13Å; V351-M469 HydrophobicContact CB-CE 4.23Å; V351-M469 HydrophobicContact CG2-CE 3.42Å; V351-M469 VanDerWaalsContact CG2-CE 3.42Å
352	L	98.5	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	-174.7	-50.6	173.2	0	0	0	109	V350 Q359 V360 A387 L433 W453 L463 V466	V350-L352 HydrophobicContact CG1-CD2 3.64Å; V350-L352 HydrophobicContact CG1-CG 4.22Å; L352-Q359 VanDerWaalsContact O-CA 3.28Å; L352-Q359 WeakPolarHBondContact O-CA 3.37Å; L352-V360 HydrophobicContact CB-CG2 3.86Å; L352-V360 HydrophobicContact CD1-CG2 4.1Å; L352-V360 HydrophobicContact CG-CG2 4.44Å; L352-V360 PolarHBondContact N-O 2.66Å; L352-V360 PolarHBondContact O-N 3.34Å; L352-A387 HydrophobicContact CD1-CB 4.03Å; L352-L433 HydrophobicContact CD2-CD2 4.01Å; L352-W453 HydrophobicContact CD1-CB 3.72Å; L352-W453 HydrophobicContact CD1-CD2 3.63Å; L352-W453 HydrophobicContact CD1-CE3 4.04Å; L352-W453 HydrophobicContact CD1-CG 3.5Å; L352-L463 HydrophobicContact CB-CD1 4.02Å; L352-L463 HydrophobicContact CD1-CD1 4.22Å; L352-L463 HydrophobicContact CD2-CD1 3.7Å; L352-L463 HydrophobicContact CG-CD1 4.19Å; L352-V466 HydrophobicContact CD2-CB 4.38Å; L352-V466 HydrophobicContact CD2-CG1 3.92Å; L352-V466 HydrophobicContact CD2-CG2 3.87Å
353	E	98.5	Very high	97.3	Very high	25 Å²	25	43.4 Å²	43.4	12%	0.117	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.2	174.7	-170.2	-171.3	125.7	0	0	109.4	R358 K464 K465	E353-R358 WeakPolarHBondContact CA-O 3.41Å; E353-K464 PolarHBondContact O-N 2.84Å; E353-K464 IonicContact OE1-NZ 4Å; E353-K465 HydrophobicContact CB-CB 3.92Å; E353-K465 HydrophobicContact CB-CG 4.34Å; E353-K465 PolarHBondContact N-O 3.25Å; E353-K465 PolarHBondContact O-N 3.19Å; E353-K465 VanDerWaalsContact O-N 3.16Å; E353-K465 IonicContact OE1-NZ 3.41Å; E353-K465 PolarHBondContact OE1-NZ 3.04Å; E353-K465 WeakPolarHBondContact OE2-CD 3.39Å; E353-K465 WeakPolarHBondContact OE2-CE 3.38Å; E353-K465 IonicContact OE2-NZ 3.03Å; E353-K465 PolarHBondContact OE2-NZ 3.02Å
354	D	98	Very high	97.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.			trans	-84.9	179.6	173.4	78.4	8.2	0	0	0	112.6	Q356 A357 R358 F456 H457 Y461	D354-Q356 PolarHBondContact O-N 3.37Å; D354-Q356 VanDerWaalsContact OD1-CA 3.28Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.19Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.48Å; D354-Q356 PolarHBondContact OD1-N 3.46Å; D354-A357 PolarHBondContact O-N 3.28Å; D354-A357 PolarHBondContact OD1-N 2.74Å; D354-R358 PolarHBondContact N-O 3.32Å; D354-R358 WeakPolarHBondContact OD1-CB 3.42Å; D354-R358 PolarHBondContact OD1-N 3.02Å; D354-R358 WeakPolarHBondContact OD2-CB 3.2Å; D354-R358 IonicContact OD2-NE 2.76Å; D354-F456 HydrophobicContact CB-CE1 4.07Å; D354-F456 HydrophobicContact CB-CZ 4.18Å; D354-H457 WeakPolarHBondContact CB-NE2 3.39Å; D354-H457 IonicContact OD2-CE1 2.92Å; D354-H457 PolarHBondContact OD2-CE1 2.66Å; D354-H457 IonicContact OD2-NE2 2.8Å; D354-H457 PolarHBondContact OD2-NE2 3Å; D354-Y461 HydrophobicContact CB-CE1 4Å
355	W	97.8	Very high	97.9	Very high	62 Å²	62	42 Å²	42	24%	0.235	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.7	-178.9	-68.6	81.2	0	0	0	113.9	A357 W437 Y438 R439 G440 G441 Y461 S462 K464	W355-A357 VanDerWaalsContact C-N 3.35Å; W355-W437 AromaticContact CH2-CH2 3.4Å; W355-W437 HydrophobicContact CH2-CH2 3.4Å; W355-W437 VanDerWaalsContact CH2-CH2 3.4Å; W355-W437 AromaticContact CH2-CZ2 3.43Å; W355-W437 HydrophobicContact CH2-CZ2 3.43Å; W355-W437 VanDerWaalsContact CH2-CZ2 3.43Å; W355-W437 HydrophobicContact CH2-CZ3 4.3Å; W355-W437 AromaticContact CZ2-CH2 3.83Å; W355-W437 HydrophobicContact CZ2-CH2 3.83Å; W355-W437 AromaticContact CZ2-CZ2 3.51Å; W355-W437 HydrophobicContact CZ2-CZ2 3.51Å; W355-Y438 WeakPolarHBondContact CZ2-O 3.37Å; W355-R439 HydrophobicContact CH2-CB 4.13Å; W355-R439 HydrophobicContact CH2-CG 3.64Å; W355-R439 HydrophobicContact CZ2-CG 4.47Å; W355-R439 HydrophobicContact CZ3-CG 3.99Å; W355-G440 VanDerWaalsContact CH2-N 3.3Å; W355-G441 VanDerWaalsContact CD1-N 3.27Å; W355-G441 VanDerWaalsContact NE1-CA 3.32Å; W355-Y461 WeakPolarHBondContact CB-OH 3.46Å; W355-Y461 AromaticContact CD1-CE1 3.79Å; W355-Y461 AromaticContact CD1-CZ 3.77Å; W355-Y461 PolarHBondContact N-OH 3.28Å; W355-S462 PolarHBondContact NE1-O 2.95Å; W355-K464 HydrophobicContact CD2-CB 3.92Å; W355-K464 HydrophobicContact CD2-CD 4.29Å; W355-K464 HydrophobicContact CD2-CG 4.12Å; W355-K464 HydrophobicContact CE3-CB 4.48Å; W355-K464 HydrophobicContact CE3-CD 4.12Å; W355-K464 HydrophobicContact CE3-CG 4.18Å; W355-K464 HydrophobicContact CG-CB 4.12Å; W355-K464 HydrophobicContact CH2-CG 4.22Å; W355-K464 HydrophobicContact CZ2-CB 4.16Å; W355-K464 HydrophobicContact CZ2-CG 4.17Å; W355-K464 HydrophobicContact CZ3-CD 4.43Å; W355-K464 HydrophobicContact CZ3-CG 4.24Å
356	Q	97	Very high	98	Very high	124 Å²	124	37.6 Å²	37.6	58%	0.579	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	13.3	174	-67	75.3	28.5	0	0	111.8	D354 R358 Y461	D354-Q356 PolarHBondContact O-N 3.37Å; D354-Q356 VanDerWaalsContact OD1-CA 3.28Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.19Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.48Å; D354-Q356 PolarHBondContact OD1-N 3.46Å; Q356-R358 PolarHBondContact O-N 2.97Å; Q356-Y461 PolarHBondContact OE1-OH 2.79Å
357	A	96.5	Very high	98	Very high	68 Å²	68	37.5 Å²	37.5	56%	0.562	18%	0.183	S	C	*	.			trans	61.6	19.1	-178.8	0	0	0	0	0	114.5	D354 W355 Q359	D354-A357 PolarHBondContact O-N 3.28Å; D354-A357 PolarHBondContact OD1-N 2.74Å; W355-A357 VanDerWaalsContact C-N 3.35Å; A357-Q359 PolarHBondContact O-N 3.14Å
358	R	97.6	Very high	98	Very high	145 Å²	145	37.9 Å²	37.9	55%	0.547	19%	0.185	S	C	.	.			trans	-75.1	124.1	169.9	-169	-173.8	-57.9	160.6	5.7	108.5	E353 D354 Q356 F456	E353-R358 WeakPolarHBondContact CA-O 3.41Å; D354-R358 PolarHBondContact N-O 3.32Å; D354-R358 WeakPolarHBondContact OD1-CB 3.42Å; D354-R358 PolarHBondContact OD1-N 3.02Å; D354-R358 WeakPolarHBondContact OD2-CB 3.2Å; D354-R358 IonicContact OD2-NE 2.76Å; Q356-R358 PolarHBondContact O-N 2.97Å; R358-F456 HydrophobicContact CB-CZ 4.42Å; R358-F456 HydrophobicContact CG-CZ 4.29Å
359	Q	97.5	Very high	97.9	Very high	112 Å²	112	37.9 Å²	37.9	52%	0.523	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.9	178.1	-169	178	70.6	0	0	110.8	V351 L352 A357	V351-Q359 HydrophobicContact CG1-CG 3.69Å; L352-Q359 VanDerWaalsContact O-CA 3.28Å; L352-Q359 WeakPolarHBondContact O-CA 3.37Å; A357-Q359 PolarHBondContact O-N 3.14Å
360	V	98.2	Very high	97.9	Very high	13 Å²	13	37.5 Å²	37.5	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.4	172.8	-62.6	0	0	0	0	109.8	L352 N386 A387 F456	L352-V360 HydrophobicContact CB-CG2 3.86Å; L352-V360 HydrophobicContact CD1-CG2 4.1Å; L352-V360 HydrophobicContact CG-CG2 4.44Å; L352-V360 PolarHBondContact N-O 2.66Å; L352-V360 PolarHBondContact O-N 3.34Å; V360-N386 WeakPolarHBondContact CA-OD1 3.29Å; V360-N386 WeakPolarHBondContact CB-OD1 3.45Å; V360-A387 HydrophobicContact CB-CB 3.9Å; V360-A387 HydrophobicContact CG2-CB 3.57Å; V360-F456 HydrophobicContact CG1-CD2 4.31Å; V360-F456 HydrophobicContact CG1-CE2 3.84Å; V360-F456 HydrophobicContact CG1-CZ 3.99Å; V360-F456 HydrophobicContact CG2-CD1 3.64Å; V360-F456 HydrophobicContact CG2-CD2 4.16Å; V360-F456 HydrophobicContact CG2-CE1 3.64Å; V360-F456 HydrophobicContact CG2-CE2 4.15Å; V360-F456 HydrophobicContact CG2-CG 3.93Å; V360-F456 HydrophobicContact CG2-CZ 3.91Å
361	S	97.9	Very high	97.9	Very high	19 Å²	19	39.6 Å²	39.6	13%	0.133	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.9	177.8	59	0	0	0	0	112.7	R349 V350 G385 N386 A387	R349-S361 PolarHBondContact NH2-OG 2.54Å; V350-S361 CarbonylContact O-C 3.6Å; V350-S361 WeakPolarHBondContact O-CA 3.41Å; S361-G385 VanDerWaalsContact O-CA 3.3Å; S361-G385 WeakPolarHBondContact O-CA 3.22Å; S361-N386 PolarHBondContact N-OD1 3.23Å; S361-N386 PolarHBondContact O-N 2.92Å; S361-N386 PolarHBondContact O-OD1 2.92Å; S361-A387 PolarHBondContact O-N 3.33Å
362	A	98.4	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.2	167.3	0	0	0	0	0	108.4	R349 V350 Y364 Y383 A387 W453	R349-A362 CarbonylContact C-O 3.55Å; V350-A362 HydrophobicContact CB-CB 4.33Å; V350-A362 PolarHBondContact N-O 3.18Å; V350-A362 PolarHBondContact O-N 3.49Å; A362-Y364 HydrophobicContact CB-CE2 4.13Å; A362-Y383 HydrophobicContact CB-CD2 4.32Å; A362-Y383 HydrophobicContact CB-CE2 3.64Å; A362-A387 HydrophobicContact CB-CB 4.17Å; A362-W453 HydrophobicContact CB-CH2 3.79Å; A362-W453 HydrophobicContact CB-CZ2 3.59Å
363	E	98.2	Very high	97.8	Very high	21 Å²	21	48.8 Å²	48.8	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.9	174.2	-70.9	-159.3	170.5	0	0	110.6	L348 R349 Y383 H384	L348-E363 CarbonylContact O-C 3.2Å; L348-E363 WeakPolarHBondContact O-CA 3.2Å; R349-E363 HydrophobicContact CB-CG 3.85Å; R349-E363 WeakPolarHBondContact CD-OE1 3.44Å; R349-E363 HydrophobicContact CG-CG 3.72Å; R349-E363 IonicContact CZ-OE1 2.74Å; R349-E363 IonicContact NE-OE1 3.74Å; R349-E363 IonicContact NH1-OE1 3.8Å; R349-E363 PolarHBondContact NH1-OE1 2.82Å; E363-Y383 CarbonylContact O-C 3.5Å; E363-Y383 WeakPolarHBondContact O-CA 3.33Å; E363-H384 WeakPolarHBondContact CA-O 2.96Å; E363-H384 WeakPolarHBondContact CB-CE1 3.37Å; E363-H384 WeakPolarHBondContact CB-NE2 3.18Å; E363-H384 PolarHBondContact N-O 3.27Å; E363-H384 PolarHBondContact O-N 2.89Å; E363-H384 IonicContact OE2-CD2 2.79Å; E363-H384 IonicContact OE2-CE1 3.48Å; E363-H384 PolarHBondContact OE2-CE1 3.36Å; E363-H384 IonicContact OE2-NE2 2.9Å; E363-H384 PolarHBondContact OE2-NE2 2.88Å
364	Y	98.5	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.5	176.1	-59.3	-94.5	0	0	0	108.4	K347 L348 A362 S366 L380 Q382 Y383 D389 L391	K347-Y364 VanDerWaalsContact CA-O 3.28Å; K347-Y364 WeakPolarHBondContact CA-O 3.35Å; K347-Y364 WeakPolarHBondContact CB-O 3.22Å; L348-Y364 HydrophobicContact CD2-CD2 3.98Å; L348-Y364 HydrophobicContact CG-CD2 4.4Å; L348-Y364 PolarHBondContact N-O 3.31Å; L348-Y364 PolarHBondContact O-N 3.43Å; A362-Y364 HydrophobicContact CB-CE2 4.13Å; Y364-S366 PolarHBondContact O-N 2.8Å; Y364-S366 VanDerWaalsContact O-N 3.15Å; Y364-L380 HydrophobicContact CD1-CB 4.37Å; Y364-L380 HydrophobicContact CD1-CD1 4.31Å; Y364-L380 HydrophobicContact CD1-CD2 4.15Å; Y364-L380 HydrophobicContact CD2-CD2 4.3Å; Y364-L380 HydrophobicContact CE1-CD1 4.33Å; Y364-L380 HydrophobicContact CG-CD2 3.86Å; Y364-Q382 VanDerWaalsContact CA-O 3.3Å; Y364-Q382 WeakPolarHBondContact CA-O 3.47Å; Y364-Y383 AromaticContact CE1-CD2 3.89Å; Y364-Y383 HydrophobicContact CE1-CD2 3.89Å; Y364-Y383 HydrophobicContact CE1-CG 4.31Å; Y364-Y383 HydrophobicContact CE2-CD2 4.31Å; Y364-Y383 AromaticContact CZ-CD2 3.69Å; Y364-D389 PolarHBondContact OH-OD1 3.42Å; Y364-L391 HydrophobicContact CD2-CD2 4.35Å; Y364-L391 HydrophobicContact CE1-CB 4.34Å; Y364-L391 HydrophobicContact CE2-CB 3.99Å; Y364-L391 HydrophobicContact CE2-CD2 3.86Å; Y364-L391 WeakPolarHBondContact OH-CB 3.46Å; Y364-L391 PolarHBondContact OH-N 3.32Å
365	D	97.7	Very high	97.8	Very high	57 Å²	57	52.6 Å²	52.6	31%	0.305	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-9.7	-175.3	76.4	-18.1	0	0	0	114.5	K345 G381 Q382	K345-D365 WeakPolarHBondContact CE-O 3.48Å; D365-G381 WeakPolarHBondContact OD1-CA 3.37Å; D365-Q382 PolarHBondContact N-O 2.91Å; D365-Q382 VanDerWaalsContact N-O 3.09Å; D365-Q382 PolarHBondContact OD1-N 3.42Å
366	S	97.9	Very high	97.8	Very high	21 Å²	21	49.7 Å²	49.7	15%	0.147	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	137.2	172.6	-169.1	0	0	0	0	110.7	Y346 Y364 L380 G381	Y346-S366 CarbonylContact O-C 3.44Å; Y346-S366 VanDerWaalsContact O-CA 3.27Å; Y346-S366 WeakPolarHBondContact O-CA 3.35Å; Y364-S366 PolarHBondContact O-N 2.8Å; Y364-S366 VanDerWaalsContact O-N 3.15Å; S366-L380 CarbonylContact O-C 3.54Å; S366-L380 WeakPolarHBondContact O-CA 3.5Å; S366-G381 PolarHBondContact O-N 3.42Å
367	F	98.3	Very high	97.9	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	120.1	173.8	171.8	-94.6	0	0	0	109.1	I302 L337 T341 Y346 L348 L369 L378 R379 L380 W424 I470	I302-F367 HydrophobicContact CD1-CE1 4.21Å; I302-F367 HydrophobicContact CD1-CZ 4.06Å; L337-F367 HydrophobicContact CD2-CE1 3.78Å; L337-F367 HydrophobicContact CD2-CZ 4.04Å; T341-F367 HydrophobicContact CG2-CD1 3.77Å; T341-F367 HydrophobicContact CG2-CE1 3.89Å; Y346-F367 PolarHBondContact O-N 3.08Å; L348-F367 HydrophobicContact CB-CB 3.65Å; L348-F367 HydrophobicContact CB-CD2 4.13Å; L348-F367 HydrophobicContact CB-CG 3.92Å; L348-F367 HydrophobicContact CD2-CD2 3.78Å; L348-F367 HydrophobicContact CD2-CE2 4.18Å; L348-F367 HydrophobicContact CD2-CG 4.42Å; L348-F367 HydrophobicContact CG-CD2 4.38Å; F367-L369 HydrophobicContact CE2-CD2 4.32Å; F367-L369 HydrophobicContact CZ-CD2 4.07Å; F367-L369 HydrophobicContact CZ-CG 4.41Å; F367-L378 HydrophobicContact CD2-CD1 3.77Å; F367-L378 HydrophobicContact CE2-CD1 3.47Å; F367-L378 VanDerWaalsContact CE2-CD1 3.47Å; F367-R379 WeakPolarHBondContact CA-O 3.45Å; F367-L380 HydrophobicContact CB-CD2 4.36Å; F367-L380 HydrophobicContact CD2-CD2 3.81Å; F367-W424 HydrophobicContact CE2-CH2 4.31Å; F367-W424 HydrophobicContact CZ-CH2 4.34Å; F367-I470 HydrophobicContact CD1-CG2 3.6Å; F367-I470 HydrophobicContact CE1-CG2 3.86Å; F367-I470 HydrophobicContact CG-CG2 4.36Å
368	H	97.2	Very high	98	Very high	62 Å²	62	43 Å²	43	29%	0.287	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.3	169.1	63.8	-80.2	0	0	0	111.4	T341 R379	T341-H368 HydrophobicContact CG2-CB 4.46Å; H368-R379 WeakPolarHBondContact CE1-CB 3.3Å; H368-R379 PolarHBondContact N-O 3.4Å; H368-R379 WeakPolarHBondContact ND1-CB 3.3Å; H368-R379 VanDerWaalsContact NE2-CB 3.3Å; H368-R379 WeakPolarHBondContact NE2-CB 3.24Å; H368-R379 VanDerWaalsContact NE2-CG 3.3Å; H368-R379 WeakPolarHBondContact NE2-CG 3.32Å; H368-R379 WeakPolarHBondContact O-CB 3.4Å; H368-R379 PolarHBondContact O-N 2.66Å
369	L	98.3	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.6	175.3	-54.3	-174.3	0	0	0	110	L334 L337 Y338 T341 F367 R377 L378 W424	L334-L369 HydrophobicContact CD2-CD1 4.06Å; L337-L369 HydrophobicContact CB-CD1 3.65Å; Y338-L369 VanDerWaalsContact CD2-O 3.31Å; Y338-L369 WeakPolarHBondContact CD2-O 3.47Å; T341-L369 PolarHBondContact OG1-N 3.33Å; F367-L369 HydrophobicContact CE2-CD2 4.32Å; F367-L369 HydrophobicContact CZ-CD2 4.07Å; F367-L369 HydrophobicContact CZ-CG 4.41Å; L369-R377 WeakPolarHBondContact CA-O 3.33Å; L369-L378 HydrophobicContact CD2-CD1 3.97Å; L369-W424 HydrophobicContact CD1-CZ2 4.06Å; L369-W424 HydrophobicContact CD2-CH2 4.33Å; L369-W424 HydrophobicContact CD2-CZ2 3.4Å; L369-W424 VanDerWaalsContact CD2-CZ2 3.4Å; L369-W424 HydrophobicContact CG-CZ2 4.4Å
370	E	98.3	Very high	98.1	Very high	44 Å²	44	35 Å²	35	21%	0.206	17%	0.173	C	C	.	.			trans	-73.6	163.7	166.4	-61.2	-70	-174.1	0	0	110.5	Y338 D374 Y376 R377 R379	Y338-E370 WeakPolarHBondContact CD2-O 3.13Å; E370-D374 HydrophobicContact CB-CB 3.94Å; E370-Y376 WeakPolarHBondContact O-CA 3.21Å; E370-R377 HydrophobicContact CB-CB 3.95Å; E370-R377 HydrophobicContact CG-CB 3.8Å; E370-R377 HydrophobicContact CG-CG 4.38Å; E370-R377 PolarHBondContact N-O 3.48Å; E370-R379 HydrophobicContact CG-CG 4.3Å; E370-R379 IonicContact OE1-CZ 3.7Å; E370-R379 VanDerWaalsContact OE1-CZ 3.3Å; E370-R379 IonicContact OE1-NE 3.49Å; E370-R379 PolarHBondContact OE1-NE 2.9Å; E370-R379 IonicContact OE1-NH2 2.78Å; E370-R379 PolarHBondContact OE1-NH2 3.07Å
371	P	97.6	Very high	98	Very high	44 Å²	44	35.6 Å²	35.6	29%	0.286	18%	0.182	S	C	.	.			trans	-65.3	169	177.9	25.6	-35.5	0	0	0	113.1	Y338 N373 D374 W375 Y376	Y338-P371 HydrophobicContact CD2-CB 4.5Å; Y338-P371 HydrophobicContact CE1-CB 4.49Å; Y338-P371 HydrophobicContact CE2-CB 3.81Å; Y338-P371 HydrophobicContact CE2-CG 4.39Å; P371-N373 PolarHBondContact O-N 3.03Å; P371-N373 VanDerWaalsContact O-N 3.14Å; P371-D374 CarbonylContact O-C 3.57Å; P371-D374 WeakPolarHBondContact O-CA 3.47Å; P371-D374 PolarHBondContact O-N 3.47Å; P371-W375 PolarHBondContact O-N 2.88Å; P371-Y376 PolarHBondContact O-N 3.2Å
372	E	97.7	Very high	98	Very high	49 Å²	49	41.8 Å²	41.8	23%	0.229	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-55.5	-32.8	177.8	-172.4	172.5	-161.3	0	0	113.2	W316 K320 D374 W375 Y376 R404	W316-E372 HydrophobicContact CZ2-CG 4.17Å; W316-E372 PolarHBondContact NE1-OE1 3.29Å; K320-E372 WeakPolarHBondContact CE-OE2 3.31Å; K320-E372 IonicContact NZ-OE1 3.37Å; K320-E372 PolarHBondContact NZ-OE1 3.47Å; K320-E372 IonicContact NZ-OE2 2.66Å; K320-E372 PolarHBondContact NZ-OE2 2.93Å; E372-D374 PolarHBondContact O-N 3.42Å; E372-W375 WeakPolarHBondContact O-CA 3.07Å; E372-W375 PolarHBondContact O-N 2.91Å; E372-Y376 HydrophobicContact CB-CE1 4.22Å; E372-Y376 HydrophobicContact CB-CE2 3.9Å; E372-Y376 HydrophobicContact CG-CE2 3.8Å; E372-R404 IonicContact OE1-NH1 3.66Å
373	N	97.4	Very high	98	Very high	157 Å²	157	44.8 Å²	44.8	84%	0.84	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-63.7	-25.4	177	-72.6	-5.4	0	0	0	112.9	P371	P371-N373 PolarHBondContact O-N 3.03Å; P371-N373 VanDerWaalsContact O-N 3.14Å
374	D	97.9	Very high	97.9	Very high	46 Å²	46	47.8 Å²	47.8	25%	0.246	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-106.6	30.6	167.8	-166	27.5	0	0	0	111.6	E370 P371 E372 Y376 R377	E370-D374 HydrophobicContact CB-CB 3.94Å; P371-D374 CarbonylContact O-C 3.57Å; P371-D374 WeakPolarHBondContact O-CA 3.47Å; P371-D374 PolarHBondContact O-N 3.47Å; E372-D374 PolarHBondContact O-N 3.42Å; D374-Y376 VanDerWaalsContact C-N 3.27Å; D374-Y376 PolarHBondContact O-N 2.93Å; D374-R377 VanDerWaalsContact CG-NE 3.34Å; D374-R377 WeakPolarHBondContact O-CB 3.3Å; D374-R377 PolarHBondContact O-N 3.25Å; D374-R377 VanDerWaalsContact O-N 3.09Å; D374-R377 IonicContact OD1-CZ 3.87Å; D374-R377 IonicContact OD1-NE 2.78Å; D374-R377 PolarHBondContact OD1-NE 2.77Å; D374-R377 IonicContact OD1-NH2 3.62Å; D374-R377 PolarHBondContact OD1-NH2 3.44Å; D374-R377 WeakPolarHBondContact OD2-CD 3.33Å; D374-R377 IonicContact OD2-CZ 4Å; D374-R377 IonicContact OD2-NE 3.76Å; D374-R377 PolarHBondContact OD2-NE 3.26Å; D374-R377 IonicContact OD2-NH2 3.4Å
375	W	98.1	Very high	97.8	Very high	60 Å²	60	50 Å²	50	23%	0.227	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	35.5	167.1	-58.5	75.3	0	0	0	113.9	W316 P371 E372 R377 A398 F399 R404 K406	W316-W375 HydrophobicContact CH2-CB 4.33Å; W316-W375 AromaticContact CH2-CE3 3.9Å; W316-W375 HydrophobicContact CH2-CE3 3.9Å; W316-W375 HydrophobicContact CZ2-CE3 4.5Å; W316-W375 HydrophobicContact CZ3-CE3 4.15Å; P371-W375 PolarHBondContact O-N 2.88Å; E372-W375 WeakPolarHBondContact O-CA 3.07Å; E372-W375 PolarHBondContact O-N 2.91Å; W375-R377 PolarHBondContact O-N 3.23Å; W375-A398 HydrophobicContact CB-CB 3.71Å; W375-F399 WeakPolarHBondContact O-CB 3.41Å; W375-F399 PolarHBondContact O-N 3.49Å; W375-R404 HydrophobicContact CZ3-CB 4.15Å; W375-R404 HydrophobicContact CZ3-CG 4.43Å; W375-K406 HydrophobicContact CB-CG 4.16Å; W375-K406 HydrophobicContact CD2-CB 4.16Å; W375-K406 HydrophobicContact CD2-CD 4Å; W375-K406 HydrophobicContact CD2-CG 3.83Å; W375-K406 HydrophobicContact CE3-CB 3.9Å; W375-K406 HydrophobicContact CE3-CD 4.42Å; W375-K406 HydrophobicContact CE3-CG 4.1Å; W375-K406 HydrophobicContact CG-CB 4.5Å; W375-K406 HydrophobicContact CG-CD 4.24Å; W375-K406 HydrophobicContact CG-CG 3.83Å; W375-K406 HydrophobicContact CZ2-CD 4.46Å; W375-K406 HydrophobicContact CZ3-CB 4.41Å
376	Y	98.6	Very high	97.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	40.8	-176.5	-58.1	-73.9	0	0	0	113.2	W316 K320 L334 E335 E370 P371 E372 D374 L378 W424	W316-Y376 AromaticContact CH2-CD2 3.82Å; W316-Y376 HydrophobicContact CH2-CD2 3.82Å; W316-Y376 HydrophobicContact CH2-CE2 4.36Å; W316-Y376 AromaticContact CZ2-CD2 3.58Å; W316-Y376 HydrophobicContact CZ2-CD2 3.58Å; W316-Y376 AromaticContact CZ2-CE2 3.66Å; W316-Y376 HydrophobicContact CZ2-CE2 3.66Å; K320-Y376 WeakPolarHBondContact CG-OH 3.29Å; L334-Y376 HydrophobicContact CB-CD1 3.89Å; L334-Y376 HydrophobicContact CB-CD2 3.8Å; L334-Y376 HydrophobicContact CB-CE1 3.94Å; L334-Y376 HydrophobicContact CB-CE2 3.84Å; L334-Y376 HydrophobicContact CB-CG 3.8Å; L334-Y376 HydrophobicContact CD1-CD2 3.69Å; L334-Y376 HydrophobicContact CD1-CE2 4.09Å; L334-Y376 HydrophobicContact CD1-CG 4.23Å; L334-Y376 HydrophobicContact CD2-CD2 4.49Å; L334-Y376 HydrophobicContact CD2-CG 4.21Å; L334-Y376 HydrophobicContact CG-CD2 4.2Å; L334-Y376 HydrophobicContact CG-CG 4.31Å; E335-Y376 PolarHBondContact OE2-OH 3.32Å; E370-Y376 WeakPolarHBondContact O-CA 3.21Å; P371-Y376 PolarHBondContact O-N 3.2Å; E372-Y376 HydrophobicContact CB-CE1 4.22Å; E372-Y376 HydrophobicContact CB-CE2 3.9Å; E372-Y376 HydrophobicContact CG-CE2 3.8Å; D374-Y376 VanDerWaalsContact C-N 3.27Å; D374-Y376 PolarHBondContact O-N 2.93Å; Y376-L378 PolarHBondContact O-N 2.98Å; Y376-W424 PolarHBondContact O-NE1 3.34Å
377	R	98.6	Very high	97.8	Very high	53 Å²	53	51.5 Å²	51.5	20%	0.2	26%	0.264	C	S	.	.			trans	-54.2	133.3	-178.2	178.6	-170.9	-55.1	-78.4	-6.6	111.5	L369 E370 D374 W375 N396 K397	L369-R377 WeakPolarHBondContact CA-O 3.33Å; E370-R377 HydrophobicContact CB-CB 3.95Å; E370-R377 HydrophobicContact CG-CB 3.8Å; E370-R377 HydrophobicContact CG-CG 4.38Å; E370-R377 PolarHBondContact N-O 3.48Å; D374-R377 VanDerWaalsContact CG-NE 3.34Å; D374-R377 WeakPolarHBondContact O-CB 3.3Å; D374-R377 PolarHBondContact O-N 3.25Å; D374-R377 VanDerWaalsContact O-N 3.09Å; D374-R377 IonicContact OD1-CZ 3.87Å; D374-R377 IonicContact OD1-NE 2.78Å; D374-R377 PolarHBondContact OD1-NE 2.77Å; D374-R377 IonicContact OD1-NH2 3.62Å; D374-R377 PolarHBondContact OD1-NH2 3.44Å; D374-R377 WeakPolarHBondContact OD2-CD 3.33Å; D374-R377 IonicContact OD2-CZ 4Å; D374-R377 IonicContact OD2-NE 3.76Å; D374-R377 PolarHBondContact OD2-NE 3.26Å; D374-R377 IonicContact OD2-NH2 3.4Å; W375-R377 PolarHBondContact O-N 3.23Å; R377-N396 VanDerWaalsContact CD-OD1 3.32Å; R377-N396 WeakPolarHBondContact CD-OD1 3.46Å; R377-N396 PolarHBondContact NH1-O 3.11Å; R377-K397 WeakPolarHBondContact CA-O 3.49Å
378	L	98.6	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.1	-179.6	-179.7	60.7	0	0	0	111.5	F367 L369 Y376 L380 H394 N395 N396 K397 W424	F367-L378 HydrophobicContact CD2-CD1 3.77Å; F367-L378 HydrophobicContact CE2-CD1 3.47Å; F367-L378 VanDerWaalsContact CE2-CD1 3.47Å; L369-L378 HydrophobicContact CD2-CD1 3.97Å; Y376-L378 PolarHBondContact O-N 2.98Å; L378-L380 HydrophobicContact CD1-CD1 4.49Å; L378-L380 HydrophobicContact CD1-CD2 4.28Å; L378-L380 HydrophobicContact CD1-CG 4Å; L378-L380 HydrophobicContact CD2-CD1 3.72Å; L378-L380 HydrophobicContact CD2-CG 4.07Å; L378-L380 HydrophobicContact CG-CD1 4.14Å; L378-L380 HydrophobicContact CG-CG 3.92Å; L378-H394 HydrophobicContact CD2-CB 4.18Å; L378-N395 PolarHBondContact O-OD1 3.31Å; L378-N396 VanDerWaalsContact O-CA 3.24Å; L378-N396 WeakPolarHBondContact O-CA 3.38Å; L378-N396 PolarHBondContact O-N 3.48Å; L378-K397 PolarHBondContact N-O 3.02Å; L378-W424 HydrophobicContact CB-CB 4.18Å; L378-W424 VanDerWaalsContact CB-CD1 3.5Å; L378-W424 HydrophobicContact CB-CD2 3.84Å; L378-W424 HydrophobicContact CB-CG 3.58Å; L378-W424 HydrophobicContact CD1-CD2 4.32Å; L378-W424 HydrophobicContact CD1-CH2 4.48Å; L378-W424 HydrophobicContact CD1-CZ2 4.32Å; L378-W424 HydrophobicContact CD2-CB 4.16Å; L378-W424 HydrophobicContact CD2-CD2 3.84Å; L378-W424 HydrophobicContact CD2-CE3 3.87Å; L378-W424 HydrophobicContact CD2-CG 3.99Å; L378-W424 HydrophobicContact CG-CD2 4.23Å; L378-W424 HydrophobicContact CG-CG 4.35Å
379	R	98.3	Very high	97.8	Very high	72 Å²	72	52 Å²	52	27%	0.272	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.6	170.5	-60.1	-73.9	-165.9	-160.1	-7.3	109.1	F367 H368 E370 N395 N396	F367-R379 WeakPolarHBondContact CA-O 3.45Å; H368-R379 WeakPolarHBondContact CE1-CB 3.3Å; H368-R379 PolarHBondContact N-O 3.4Å; H368-R379 WeakPolarHBondContact ND1-CB 3.3Å; H368-R379 VanDerWaalsContact NE2-CB 3.3Å; H368-R379 WeakPolarHBondContact NE2-CB 3.24Å; H368-R379 VanDerWaalsContact NE2-CG 3.3Å; H368-R379 WeakPolarHBondContact NE2-CG 3.32Å; H368-R379 WeakPolarHBondContact O-CB 3.4Å; H368-R379 PolarHBondContact O-N 2.66Å; E370-R379 HydrophobicContact CG-CG 4.3Å; E370-R379 IonicContact OE1-CZ 3.7Å; E370-R379 VanDerWaalsContact OE1-CZ 3.3Å; E370-R379 IonicContact OE1-NE 3.49Å; E370-R379 PolarHBondContact OE1-NE 2.9Å; E370-R379 IonicContact OE1-NH2 2.78Å; E370-R379 PolarHBondContact OE1-NH2 3.07Å; R379-N395 WeakPolarHBondContact CA-OD1 3.29Å; R379-N396 PolarHBondContact NH1-OD1 2.92Å
380	L	97.9	Very high	97.8	Very high	16 Å²	16	52 Å²	52	8%	0.084	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.6	178.8	-74	171.6	0	0	0	111.5	L348 Y364 S366 F367 L378 L391 N395	L348-L380 HydrophobicContact CD2-CD2 4.11Å; Y364-L380 HydrophobicContact CD1-CB 4.37Å; Y364-L380 HydrophobicContact CD1-CD1 4.31Å; Y364-L380 HydrophobicContact CD1-CD2 4.15Å; Y364-L380 HydrophobicContact CD2-CD2 4.3Å; Y364-L380 HydrophobicContact CE1-CD1 4.33Å; Y364-L380 HydrophobicContact CG-CD2 3.86Å; S366-L380 CarbonylContact O-C 3.54Å; S366-L380 WeakPolarHBondContact O-CA 3.5Å; F367-L380 HydrophobicContact CB-CD2 4.36Å; F367-L380 HydrophobicContact CD2-CD2 3.81Å; L378-L380 HydrophobicContact CD1-CD1 4.49Å; L378-L380 HydrophobicContact CD1-CD2 4.28Å; L378-L380 HydrophobicContact CD1-CG 4Å; L378-L380 HydrophobicContact CD2-CD1 3.72Å; L378-L380 HydrophobicContact CD2-CG 4.07Å; L378-L380 HydrophobicContact CG-CD1 4.14Å; L378-L380 HydrophobicContact CG-CG 3.92Å; L380-L391 HydrophobicContact CD1-CB 4.16Å; L380-L391 HydrophobicContact CD1-CD2 3.69Å; L380-L391 HydrophobicContact CD1-CG 3.6Å; L380-L391 HydrophobicContact CD2-CD2 4.32Å; L380-N395 HydrophobicContact CB-CB 4.32Å; L380-N395 PolarHBondContact N-OD1 3.47Å; L380-N395 PolarHBondContact O-ND2 3.28Å; L380-N395 VanDerWaalsContact O-ND2 3.12Å
381	G	97.3	Very high	97.8	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	26%	0.264	S	S	.	.			trans	-90.7	-152.1	170.4	0	0	0	0	0	113.2	D365 S366	D365-G381 WeakPolarHBondContact OD1-CA 3.37Å; S366-G381 PolarHBondContact O-N 3.42Å
382	Q	97.8	Very high	97.8	Very high	149 Å²	149	49.8 Å²	49.8	70%	0.696	27%	0.265	S	S	*	.			trans	-75.8	138.9	-177.8	-64.6	-172.2	-13.5	0	0	111.7	Y364 D365	Y364-Q382 VanDerWaalsContact CA-O 3.3Å; Y364-Q382 WeakPolarHBondContact CA-O 3.47Å; D365-Q382 PolarHBondContact N-O 2.91Å; D365-Q382 VanDerWaalsContact N-O 3.09Å; D365-Q382 PolarHBondContact OD1-N 3.42Å
383	Y	98.3	Very high	97.8	Very high	64 Å²	64	51.3 Å²	51.3	25%	0.251	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	142	178	166.9	-98.5	0	0	0	112.4	A362 E363 Y364 G385 G388 D389	A362-Y383 HydrophobicContact CB-CD2 4.32Å; A362-Y383 HydrophobicContact CB-CE2 3.64Å; E363-Y383 CarbonylContact O-C 3.5Å; E363-Y383 WeakPolarHBondContact O-CA 3.33Å; Y364-Y383 AromaticContact CE1-CD2 3.89Å; Y364-Y383 HydrophobicContact CE1-CD2 3.89Å; Y364-Y383 HydrophobicContact CE1-CG 4.31Å; Y364-Y383 HydrophobicContact CE2-CD2 4.31Å; Y364-Y383 AromaticContact CZ-CD2 3.69Å; Y383-G385 VanDerWaalsContact OH-C 3.31Å; Y383-G385 PolarHBondContact OH-O 3.49Å; Y383-G388 VanDerWaalsContact OH-CA 3.27Å; Y383-G388 WeakPolarHBondContact OH-CA 3.06Å; Y383-G388 PolarHBondContact OH-N 2.98Å; Y383-G388 PolarHBondContact OH-O 3.49Å; Y383-D389 WeakPolarHBondContact CB-OD2 3.47Å; Y383-D389 HydrophobicContact CD1-CB 3.85Å; Y383-D389 HydrophobicContact CD2-CB 3.98Å; Y383-D389 HydrophobicContact CE1-CB 4.08Å; Y383-D389 HydrophobicContact CE2-CB 4.16Å; Y383-D389 HydrophobicContact CG-CB 3.79Å
384	H	96.3	Very high	97.8	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.389	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.9	161.9	57.6	-75.2	0	0	0	110.8	E363	E363-H384 WeakPolarHBondContact CA-O 2.96Å; E363-H384 WeakPolarHBondContact CB-CE1 3.37Å; E363-H384 WeakPolarHBondContact CB-NE2 3.18Å; E363-H384 PolarHBondContact N-O 3.27Å; E363-H384 PolarHBondContact O-N 2.89Å; E363-H384 IonicContact OE2-CD2 2.79Å; E363-H384 IonicContact OE2-CE1 3.48Å; E363-H384 PolarHBondContact OE2-CE1 3.36Å; E363-H384 IonicContact OE2-NE2 2.9Å; E363-H384 PolarHBondContact OE2-NE2 2.88Å
385	G	96.3	Very high	97.8	Very high	47 Å²	47	44.2 Å²	44.2	49%	0.485	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-175	179.3	0	0	0	0	0	113.6	S361 Y383	S361-G385 VanDerWaalsContact O-CA 3.3Å; S361-G385 WeakPolarHBondContact O-CA 3.22Å; Y383-G385 VanDerWaalsContact OH-C 3.31Å; Y383-G385 PolarHBondContact OH-O 3.49Å
386	N	97.4	Very high	97.8	Very high	106 Å²	106	44.9 Å²	44.9	57%	0.567	24%	0.239	S	C	*	.	S	Bend	trans	-118.5	2.9	179.3	66.5	-9.5	0	0	0	113.1	V360 S361 G388	V360-N386 WeakPolarHBondContact CA-OD1 3.29Å; V360-N386 WeakPolarHBondContact CB-OD1 3.45Å; S361-N386 PolarHBondContact N-OD1 3.23Å; S361-N386 PolarHBondContact O-N 2.92Å; S361-N386 PolarHBondContact O-OD1 2.92Å; N386-G388 VanDerWaalsContact C-N 3.32Å
387	A	97.3	Very high	97.8	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.017	25%	0.247	C	C	.	.	S	Bend	trans	-82.2	-7.8	176.2	0	0	0	0	0	114	L352 V360 S361 A362 W453	L352-A387 HydrophobicContact CD1-CB 4.03Å; V360-A387 HydrophobicContact CB-CB 3.9Å; V360-A387 HydrophobicContact CG2-CB 3.57Å; S361-A387 PolarHBondContact O-N 3.33Å; A362-A387 HydrophobicContact CB-CB 4.17Å; A387-W453 VanDerWaalsContact O-CD1 3.22Å; A387-W453 PolarHBondContact O-NE1 3.38Å
388	G	97.9	Very high	97.8	Very high	22 Å²	22	44.6 Å²	44.6	23%	0.227	24%	0.24	C	C	.	.			trans	69.5	164.1	-160.7	0	0	0	0	0	112.4	Y383 N386 W453	Y383-G388 VanDerWaalsContact OH-CA 3.27Å; Y383-G388 WeakPolarHBondContact OH-CA 3.06Å; Y383-G388 PolarHBondContact OH-N 2.98Å; Y383-G388 PolarHBondContact OH-O 3.49Å; N386-G388 VanDerWaalsContact C-N 3.32Å; G388-W453 VanDerWaalsContact O-CZ2 3.25Å; G388-W453 WeakPolarHBondContact O-CZ2 3.45Å; G388-W453 PolarHBondContact O-NE1 3.46Å
389	D	98.3	Very high	97.8	Very high	51 Å²	51	44.6 Å²	44.6	27%	0.273	24%	0.24	S	C	.	.			trans	-99.8	93.7	-173.6	-172.4	1.5	0	0	0	112.2	Y364 Y383 L391 S392	Y364-D389 PolarHBondContact OH-OD1 3.42Å; Y383-D389 WeakPolarHBondContact CB-OD2 3.47Å; Y383-D389 HydrophobicContact CD1-CB 3.85Å; Y383-D389 HydrophobicContact CD2-CB 3.98Å; Y383-D389 HydrophobicContact CE1-CB 4.08Å; Y383-D389 HydrophobicContact CE2-CB 4.16Å; Y383-D389 HydrophobicContact CG-CB 3.79Å; D389-L391 PolarHBondContact OD1-N 2.89Å; D389-S392 WeakPolarHBondContact OD1-CB 3.48Å; D389-S392 PolarHBondContact OD1-N 3.3Å; D389-S392 PolarHBondContact OD1-OG 2.82Å; D389-S392 VanDerWaalsContact OD1-OG 3.13Å; D389-S392 WeakPolarHBondContact OD2-CB 3.35Å; D389-S392 PolarHBondContact OD2-OG 3.5Å
390	S	98.2	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-105.2	11	175.1	-58.4	0	0	0	0	114	H394 H430 S431 W453 A454 E455	S390-H394 PolarHBondContact O-CD2 2.9Å; S390-H394 VanDerWaalsContact O-CD2 3.28Å; S390-H430 WeakPolarHBondContact CB-O 3.31Å; S390-S431 VanDerWaalsContact O-CB 3.3Å; S390-S431 WeakPolarHBondContact O-CB 3.32Å; S390-S431 PolarHBondContact O-N 3.03Å; S390-S431 PolarHBondContact O-OG 2.95Å; S390-W453 VanDerWaalsContact CB-CE2 3.46Å; S390-W453 VanDerWaalsContact N-CZ2 3.32Å; S390-W453 PolarHBondContact OG-NE1 3.36Å; S390-A454 PolarHBondContact OG-N 3.14Å; S390-E455 WeakPolarHBondContact OG-CB 3.4Å; S390-E455 WeakPolarHBondContact OG-CG 3.49Å; S390-E455 PolarHBondContact OG-N 3.07Å
391	L	98.3	Very high	97.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.223	C	C	.	.	S	Bend	trans	-114	-26.6	178.8	-158.9	67	0	0	0	113.4	L348 Y364 L380 D389 W393 H394 W423 S431 W453	L348-L391 HydrophobicContact CD2-CD2 3.69Å; Y364-L391 HydrophobicContact CD2-CD2 4.35Å; Y364-L391 HydrophobicContact CE1-CB 4.34Å; Y364-L391 HydrophobicContact CE2-CB 3.99Å; Y364-L391 HydrophobicContact CE2-CD2 3.86Å; Y364-L391 WeakPolarHBondContact OH-CB 3.46Å; Y364-L391 PolarHBondContact OH-N 3.32Å; L380-L391 HydrophobicContact CD1-CB 4.16Å; L380-L391 HydrophobicContact CD1-CD2 3.69Å; L380-L391 HydrophobicContact CD1-CG 3.6Å; L380-L391 HydrophobicContact CD2-CD2 4.32Å; D389-L391 PolarHBondContact OD1-N 2.89Å; L391-W393 PolarHBondContact O-N 3.15Å; L391-W393 VanDerWaalsContact O-N 3.14Å; L391-H394 HydrophobicContact CD1-CB 4.35Å; L391-H394 WeakPolarHBondContact O-CA 3.34Å; L391-H394 VanDerWaalsContact O-CB 3.25Å; L391-H394 WeakPolarHBondContact O-CB 3.26Å; L391-H394 PolarHBondContact O-N 3.34Å; L391-W423 HydrophobicContact CD1-CH2 4.4Å; L391-W423 HydrophobicContact CD1-CZ2 3.51Å; L391-S431 WeakPolarHBondContact CD1-OG 3.37Å; L391-W453 HydrophobicContact CB-CH2 3.8Å; L391-W453 HydrophobicContact CB-CZ3 4.25Å
392	S	97.9	Very high	97.7	Very high	42 Å²	42	40.9 Å²	40.9	29%	0.294	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.2	-28.3	178.7	-70.7	0	0	0	0	113.6	D389 H394 N395	D389-S392 WeakPolarHBondContact OD1-CB 3.48Å; D389-S392 PolarHBondContact OD1-N 3.3Å; D389-S392 PolarHBondContact OD1-OG 2.82Å; D389-S392 VanDerWaalsContact OD1-OG 3.13Å; D389-S392 WeakPolarHBondContact OD2-CB 3.35Å; D389-S392 PolarHBondContact OD2-OG 3.5Å; S392-H394 PolarHBondContact O-N 2.9Å; S392-N395 WeakPolarHBondContact O-CB 3.3Å; S392-N395 PolarHBondContact O-N 3.29Å
393	W	96.9	Very high	97.7	Very high	80 Å²	80	37.7 Å²	37.7	30%	0.303	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-64.9	-20.9	173.7	-168.9	70.7	0	0	0	113.5	L391 H426 M427 H430	L391-W393 PolarHBondContact O-N 3.15Å; L391-W393 VanDerWaalsContact O-N 3.14Å; W393-H426 HydrophobicContact CD2-CB 4.32Å; W393-H426 AromaticContact CD2-ND1 3.89Å; W393-H426 AromaticContact CE2-ND1 3.2Å; W393-H426 HydrophobicContact CE3-CB 3.94Å; W393-H426 HydrophobicContact CH2-CB 3.8Å; W393-H426 AromaticContact CH2-ND1 3.65Å; W393-H426 HydrophobicContact CZ2-CB 4.13Å; W393-H426 AromaticContact CZ2-CG 3.93Å; W393-H426 AromaticContact CZ2-ND1 3.07Å; W393-H426 WeakPolarHBondContact CZ2-ND1 3.4Å; W393-H426 HydrophobicContact CZ3-CB 3.67Å; W393-H426 AromaticContact NE1-ND1 3.6Å; W393-M427 HydrophobicContact CH2-CB 4.29Å; W393-M427 VanDerWaalsContact CH2-N 3.3Å; W393-H430 AromaticContact CD2-CD2 3.67Å; W393-H430 AromaticContact CD2-CE1 3.92Å; W393-H430 AromaticContact CD2-CG 3.94Å; W393-H430 AromaticContact CD2-NE2 3.66Å; W393-H430 AromaticContact CE2-NE2 3.76Å; W393-H430 HydrophobicContact CE3-CB 4.23Å; W393-H430 AromaticContact CE3-CD2 3.45Å; W393-H430 VanDerWaalsContact CE3-CD2 3.45Å; W393-H430 AromaticContact CE3-CG 3.77Å; W393-H430 AromaticContact CE3-NE2 3.94Å; W393-H430 AromaticContact CG-CE1 3.79Å; W393-H430 AromaticContact CG-ND1 3.83Å; W393-H430 AromaticContact CZ3-CD2 3.7Å
394	H	98.1	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-90.4	-4.4	175	-59.4	-99.1	0	0	0	112.7	L378 S390 L391 S392 K397 W423 W424 H430 S431	L378-H394 HydrophobicContact CD2-CB 4.18Å; S390-H394 PolarHBondContact O-CD2 2.9Å; S390-H394 VanDerWaalsContact O-CD2 3.28Å; L391-H394 HydrophobicContact CD1-CB 4.35Å; L391-H394 WeakPolarHBondContact O-CA 3.34Å; L391-H394 VanDerWaalsContact O-CB 3.25Å; L391-H394 WeakPolarHBondContact O-CB 3.26Å; L391-H394 PolarHBondContact O-N 3.34Å; S392-H394 PolarHBondContact O-N 2.9Å; H394-K397 VanDerWaalsContact O-CB 3.3Å; H394-K397 WeakPolarHBondContact O-CB 3.1Å; H394-K397 VanDerWaalsContact O-CG 3.29Å; H394-K397 WeakPolarHBondContact O-CG 3.19Å; H394-K397 PolarHBondContact O-N 3.27Å; H394-W423 AromaticContact CE1-CD1 3.53Å; H394-W423 AromaticContact CE1-NE1 3.44Å; H394-W423 PolarHBondContact CE1-NE1 3.27Å; H394-W423 AromaticContact ND1-CD1 3.54Å; H394-W423 AromaticContact ND1-NE1 3.48Å; H394-W423 PolarHBondContact ND1-NE1 3.39Å; H394-W424 HydrophobicContact CB-CB 4.33Å; H394-W424 PolarHBondContact ND1-O 3.4Å; H394-H430 PolarHBondContact NE2-N 3.5Å; H394-S431 PolarHBondContact CE1-O 2.94Å; H394-S431 PolarHBondContact NE2-N 3.29Å; H394-S431 VanDerWaalsContact NE2-N 3.15Å; H394-S431 PolarHBondContact NE2-OG 3.06Å
395	N	98.4	Very high	97.5	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	143.3	177.4	-166.7	12	0	0	0	110.7	L378 R379 L380 S392 K397	L378-N395 PolarHBondContact O-OD1 3.31Å; R379-N395 WeakPolarHBondContact CA-OD1 3.29Å; L380-N395 HydrophobicContact CB-CB 4.32Å; L380-N395 PolarHBondContact N-OD1 3.47Å; L380-N395 PolarHBondContact O-ND2 3.28Å; L380-N395 VanDerWaalsContact O-ND2 3.12Å; S392-N395 WeakPolarHBondContact O-CB 3.3Å; S392-N395 PolarHBondContact O-N 3.29Å; N395-K397 PolarHBondContact O-N 3.26Å
396	N	98.1	Very high	97.4	Very high	75 Å²	75	40.3 Å²	40.3	40%	0.401	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	17	-177.3	-168.9	45.7	0	0	0	114	R377 L378 R379	R377-N396 VanDerWaalsContact CD-OD1 3.32Å; R377-N396 WeakPolarHBondContact CD-OD1 3.46Å; R377-N396 PolarHBondContact NH1-O 3.11Å; L378-N396 VanDerWaalsContact O-CA 3.24Å; L378-N396 WeakPolarHBondContact O-CA 3.38Å; L378-N396 PolarHBondContact O-N 3.48Å; R379-N396 PolarHBondContact NH1-OD1 2.92Å
397	K	98.1	Very high	97.2	Very high	42 Å²	42	36.1 Å²	36.1	18%	0.183	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-97.6	144.6	175.7	-52.7	-57.8	167.2	179.4	0	111.4	R377 L378 H394 N395 W424 H426	R377-K397 WeakPolarHBondContact CA-O 3.49Å; L378-K397 PolarHBondContact N-O 3.02Å; H394-K397 VanDerWaalsContact O-CB 3.3Å; H394-K397 WeakPolarHBondContact O-CB 3.1Å; H394-K397 VanDerWaalsContact O-CG 3.29Å; H394-K397 WeakPolarHBondContact O-CG 3.19Å; H394-K397 PolarHBondContact O-N 3.27Å; N395-K397 PolarHBondContact O-N 3.26Å; K397-W424 HydrophobicContact CB-CB 4.27Å; K397-H426 HydrophobicContact CD-CB 4.17Å; K397-H426 WeakPolarHBondContact CE-CD2 3.22Å; K397-H426 HydrophobicContact CG-CB 4.13Å; K397-H426 PolarHBondContact NZ-CD2 2.84Å; K397-H426 PolarHBondContact NZ-NE2 3.46Å
398	A	98.1	Very high	96.8	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-76.1	153.5	175.4	0	0	0	0	0	110.3	W375 K406 W424	W375-A398 HydrophobicContact CB-CB 3.71Å; A398-K406 HydrophobicContact CB-CB 3.83Å; A398-K406 HydrophobicContact CB-CG 3.31Å; A398-W424 WeakPolarHBondContact O-CA 3.49Å
399	F	98.6	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-72.3	142.5	173.8	-155.7	-96	0	0	0	110.3	W316 Y319 W331 L334 W375 T401 G422 W424	W316-F399 HydrophobicContact CE3-CD1 4.43Å; W316-F399 HydrophobicContact CH2-CB 4.29Å; W316-F399 HydrophobicContact CZ3-CB 4.07Å; W316-F399 HydrophobicContact CZ3-CD1 4.06Å; W316-F399 WeakPolarHBondContact CZ3-O 3.26Å; Y319-F399 AromaticContact CD1-CE1 3.77Å; Y319-F399 HydrophobicContact CD1-CE1 3.77Å; Y319-F399 AromaticContact CD1-CZ 3.54Å; Y319-F399 HydrophobicContact CD1-CZ 3.54Å; Y319-F399 HydrophobicContact CD2-CE1 4.37Å; Y319-F399 HydrophobicContact CE1-CE1 4.42Å; Y319-F399 AromaticContact CE1-CZ 3.94Å; Y319-F399 HydrophobicContact CE1-CZ 3.94Å; Y319-F399 AromaticContact CG-CE1 3.74Å; Y319-F399 HydrophobicContact CG-CE1 3.74Å; Y319-F399 HydrophobicContact CG-CZ 4.02Å; W331-F399 HydrophobicContact CH2-CE2 4.45Å; W331-F399 HydrophobicContact CZ2-CE2 4.36Å; W331-F399 HydrophobicContact CZ2-CZ 4.4Å; L334-F399 HydrophobicContact CD1-CD1 3.6Å; L334-F399 HydrophobicContact CD1-CD2 4.42Å; L334-F399 HydrophobicContact CD1-CE1 3.76Å; L334-F399 HydrophobicContact CD1-CG 3.94Å; L334-F399 HydrophobicContact CD1-CZ 4.22Å; L334-F399 HydrophobicContact CD2-CD1 4.47Å; L334-F399 HydrophobicContact CD2-CD2 3.81Å; L334-F399 HydrophobicContact CD2-CE2 3.91Å; L334-F399 HydrophobicContact CD2-CG 4.08Å; L334-F399 HydrophobicContact CD2-CZ 4.28Å; W375-F399 WeakPolarHBondContact O-CB 3.41Å; W375-F399 PolarHBondContact O-N 3.49Å; F399-T401 HydrophobicContact CD1-CG2 4.02Å; F399-T401 HydrophobicContact CE1-CG2 3.72Å; F399-G422 WeakPolarHBondContact CZ-O 3.15Å; F399-W424 AromaticContact CD2-CD1 3.81Å; F399-W424 AromaticContact CD2-CD2 3.89Å; F399-W424 HydrophobicContact CD2-CD2 3.89Å; F399-W424 AromaticContact CD2-CE2 3.64Å; F399-W424 HydrophobicContact CD2-CG 4.02Å; F399-W424 HydrophobicContact CD2-CZ2 4.12Å; F399-W424 AromaticContact CD2-NE1 3.6Å; F399-W424 HydrophobicContact CE2-CD2 4.29Å; F399-W424 HydrophobicContact CE2-CZ2 4.3Å
400	T	98.2	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-136.6	136.3	-178.7	-70.5	0	0	0	0	109.9	R404 K406 D407 N414 A416 G422 W423 Y425	T400-R404 WeakPolarHBondContact CA-O 3.39Å; T400-K406 WeakPolarHBondContact OG1-CA 3.26Å; T400-K406 PolarHBondContact OG1-N 3.46Å; T400-D407 HydrophobicContact CG2-CB 4.27Å; T400-D407 PolarHBondContact OG1-N 2.85Å; T400-N414 WeakPolarHBondContact CG2-OD1 3.49Å; T400-A416 HydrophobicContact CG2-CB 4.23Å; T400-G422 VanDerWaalsContact O-CA 3.29Å; T400-G422 WeakPolarHBondContact O-CA 3.47Å; T400-W423 PolarHBondContact N-O 3.37Å; T400-W423 PolarHBondContact O-N 3.21Å; T400-W423 VanDerWaalsContact O-N 3.08Å; T400-Y425 HydrophobicContact CG2-CD2 4.12Å
401	T	98.1	Very high	94.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-126.6	176.1	176	58.3	0	0	0	0	110.6	W316 Y319 F399 D403 R404 N414	W316-T401 HydrophobicContact CE3-CG2 4.19Å; W316-T401 PolarHBondContact N-OG1 2.94Å; Y319-T401 HydrophobicContact CD2-CG2 3.67Å; Y319-T401 HydrophobicContact CE2-CG2 4.39Å; Y319-T401 HydrophobicContact CG-CG2 4.15Å; F399-T401 HydrophobicContact CD1-CG2 4.02Å; F399-T401 HydrophobicContact CE1-CG2 3.72Å; T401-D403 WeakPolarHBondContact CB-OD1 3.32Å; T401-D403 PolarHBondContact O-N 3.37Å; T401-D403 VanDerWaalsContact O-N 3.14Å; T401-D403 PolarHBondContact OG1-OD1 3.49Å; T401-R404 PolarHBondContact N-O 3.49Å; T401-R404 CarbonylContact O-C 3.6Å; T401-R404 PolarHBondContact O-N 3.43Å; T401-R404 PolarHBondContact OG1-N 3.06Å; T401-N414 PolarHBondContact O-ND2 3.46Å
402	L	95.9	Very high	92.9	Very high	35 Å²	35	54 Å²	54	18%	0.183	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.4	-177.7	71	93.3	0	0	0	113.9	F313 R314 T315 H417	F313-L402 HydrophobicContact CD1-CD2 4.27Å; F313-L402 HydrophobicContact CD2-CB 4.41Å; F313-L402 HydrophobicContact CD2-CD2 4.07Å; F313-L402 HydrophobicContact CE1-CD2 4.09Å; F313-L402 HydrophobicContact CE2-CB 3.54Å; F313-L402 HydrophobicContact CE2-CD2 3.88Å; F313-L402 HydrophobicContact CE2-CG 4.37Å; F313-L402 HydrophobicContact CG-CD2 4.28Å; F313-L402 HydrophobicContact CZ-CB 3.66Å; F313-L402 HydrophobicContact CZ-CD2 3.9Å; F313-L402 HydrophobicContact CZ-CG 4.36Å; R314-L402 WeakPolarHBondContact O-CD2 3.11Å; T315-L402 HydrophobicContact CG2-CD1 4.46Å; L402-H417 PolarHBondContact O-CE1 3.32Å; L402-H417 PolarHBondContact O-NE2 3.09Å
403	D	96.3	Very high	92.3	Very high	81 Å²	81	52.4 Å²	52.4	43%	0.433	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-8.5	-175.2	60.1	-39.9	0	0	0	113.4	T315 W316 T401	T315-D403 VanDerWaalsContact CA-OD1 3.31Å; T315-D403 WeakPolarHBondContact CA-OD1 3.46Å; T315-D403 WeakPolarHBondContact CB-OD2 3.35Å; W316-D403 PolarHBondContact N-OD1 2.8Å; W316-D403 PolarHBondContact N-OD2 3.2Å; T401-D403 WeakPolarHBondContact CB-OD1 3.32Å; T401-D403 PolarHBondContact O-N 3.37Å; T401-D403 VanDerWaalsContact O-N 3.14Å; T401-D403 PolarHBondContact OG1-OD1 3.49Å
404	R	95.8	Very high	92.2	Very high	85 Å²	85	49.1 Å²	49.1	32%	0.321	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-138.4	106.8	178.1	-79.6	-174	97.4	163.1	-1.1	110.9	W316 E372 W375 T400 T401	W316-R404 HydrophobicContact CB-CB 4.28Å; W316-R404 VanDerWaalsContact CB-CD 3.5Å; W316-R404 HydrophobicContact CB-CG 4.03Å; W316-R404 HydrophobicContact CD2-CB 4.32Å; W316-R404 VanDerWaalsContact CD2-CD 3.43Å; W316-R404 HydrophobicContact CD2-CG 4.43Å; W316-R404 HydrophobicContact CE3-CB 3.87Å; W316-R404 HydrophobicContact CE3-CG 4.47Å; W316-R404 HydrophobicContact CG-CG 4.25Å; E372-R404 IonicContact OE1-NH1 3.66Å; W375-R404 HydrophobicContact CZ3-CB 4.15Å; W375-R404 HydrophobicContact CZ3-CG 4.43Å; T400-R404 WeakPolarHBondContact CA-O 3.39Å; T401-R404 PolarHBondContact N-O 3.49Å; T401-R404 CarbonylContact O-C 3.6Å; T401-R404 PolarHBondContact O-N 3.43Å; T401-R404 PolarHBondContact OG1-N 3.06Å
405	D	95.5	Very high	92.1	Very high	73 Å²	73	49.1 Å²	49.1	39%	0.39	28%	0.279	S	S	.	.			trans	-92.6	119.7	-178.4	-173.3	-0.7	0	0	0	111.7	D407 N414	D405-D407 PolarHBondContact OD1-N 3.01Å; D405-N414 HydrophobicContact CB-CB 4.26Å
406	K	94.4	Very high	92	Very high	92 Å²	92	46.5 Å²	46.5	40%	0.4	27%	0.265	S	S	.	.			trans	-142.5	23.1	172.2	-159.7	63.8	176.4	-167	0	111.8	W375 A398 T400	W375-K406 HydrophobicContact CB-CG 4.16Å; W375-K406 HydrophobicContact CD2-CB 4.16Å; W375-K406 HydrophobicContact CD2-CD 4Å; W375-K406 HydrophobicContact CD2-CG 3.83Å; W375-K406 HydrophobicContact CE3-CB 3.9Å; W375-K406 HydrophobicContact CE3-CD 4.42Å; W375-K406 HydrophobicContact CE3-CG 4.1Å; W375-K406 HydrophobicContact CG-CB 4.5Å; W375-K406 HydrophobicContact CG-CD 4.24Å; W375-K406 HydrophobicContact CG-CG 3.83Å; W375-K406 HydrophobicContact CZ2-CD 4.46Å; W375-K406 HydrophobicContact CZ3-CB 4.41Å; A398-K406 HydrophobicContact CB-CB 3.83Å; A398-K406 HydrophobicContact CB-CG 3.31Å; T400-K406 WeakPolarHBondContact OG1-CA 3.26Å; T400-K406 PolarHBondContact OG1-N 3.46Å
407	D	92.2	Very high	91.9	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.102	26%	0.263	C	S	.	.	S	Bend	trans	-80	-179.1	177.3	68.9	53.2	0	0	0	110.6	T400 D405 Y409 C415	T400-D407 HydrophobicContact CG2-CB 4.27Å; T400-D407 PolarHBondContact OG1-N 2.85Å; D405-D407 PolarHBondContact OD1-N 3.01Å; D407-Y409 WeakPolarHBondContact OD1-CA 3.28Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.49Å; D407-Y409 PolarHBondContact OD1-N 3.13Å; D407-C415 HydrophobicContact CB-CB 4.42Å; D407-C415 VanDerWaalsContact OD2-CB 3.22Å; D407-C415 WeakPolarHBondContact OD2-CB 3.32Å; D407-C415 PolarHBondContact OD2-N 3.19Å; D407-C415 PolarHBondContact OD2-SG 2.95Å
408	S	90	Very high	91.7	Very high	56 Å²	56	47.3 Å²	47.3	39%	0.392	27%	0.265	S	S	.	.	S	Bend	trans	-104.6	9.7	-179.6	-54.4	0	0	0	0	112.5	H426 M427	S408-H426 VanDerWaalsContact CB-CD2 3.41Å; S408-H426 WeakPolarHBondContact CB-CD2 3.37Å; S408-H426 PolarHBondContact N-O 3.2Å; S408-H426 VanDerWaalsContact N-O 3.13Å; S408-H426 PolarHBondContact OG-CD2 3.32Å; S408-M427 WeakPolarHBondContact O-CE 3.43Å; S408-M427 WeakPolarHBondContact O-CG 3.46Å
409	Y	86.9	Confident	91.6	Very high	92 Å²	92	48 Å²	48	36%	0.361	27%	0.267	S	S	.	.	S	Bend	trans	-66.6	151.1	176.5	-159.8	-104.3	0	0	0	109.6	D407 A411 Y418 H426 M427	D407-Y409 WeakPolarHBondContact OD1-CA 3.28Å; D407-Y409 WeakPolarHBondContact OD1-CB 3.49Å; D407-Y409 PolarHBondContact OD1-N 3.13Å; Y409-A411 PolarHBondContact O-N 2.7Å; Y409-Y418 HydrophobicContact CE1-CE2 4.41Å; Y409-H426 PolarHBondContact N-O 2.94Å; Y409-M427 HydrophobicContact CD2-CB 4.31Å
410	P	83.5	Confident	91.6	Very high	73 Å²	73	50.8 Å²	50.8	47%	0.474	28%	0.28	S	S	.	.			trans	-54.2	142.5	-179.6	-26.5	35.7	0	0	0	111.3	S412 G413 M427	P410-S412 PolarHBondContact O-N 3.31Å; P410-G413 PolarHBondContact O-N 3.4Å; P410-M427 HydrophobicContact CG-CE 4.38Å
411	A	68.2	Low	91.5	Very high	114 Å²	114	50.9 Å²	50.9	94%	0.942	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	1	-165.8	0	0	0	0	0	117.8	Y409	Y409-A411 PolarHBondContact O-N 2.7Å
412	S	71.4	Confident	91.5	Very high	117 Å²	117	50.9 Å²	50.9	82%	0.818	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	2	174.2	61.9	0	0	0	0	114.5	P410	P410-S412 PolarHBondContact O-N 3.31Å
413	G	85.3	Confident	91.6	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	27%	0.271	C	S	.	.			trans	-143.1	146.6	179.8	0	0	0	0	0	112.8	P410	P410-G413 PolarHBondContact O-N 3.4Å
414	N	94.3	Very high	91.8	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.059	25%	0.251	C	S	.	.			trans	-117.3	121.5	175.5	168.8	-12.8	0	0	0	108.2	T400 T401 D405 A416 H417 Y418	T400-N414 WeakPolarHBondContact CG2-OD1 3.49Å; T401-N414 PolarHBondContact O-ND2 3.46Å; D405-N414 HydrophobicContact CB-CB 4.26Å; N414-A416 VanDerWaalsContact C-N 3.27Å; N414-A416 PolarHBondContact O-N 3.43Å; N414-A416 WeakPolarHBondContact OD1-CA 3.46Å; N414-A416 VanDerWaalsContact OD1-CB 3.22Å; N414-A416 WeakPolarHBondContact OD1-CB 3.43Å; N414-A416 PolarHBondContact OD1-N 3.03Å; N414-H417 WeakPolarHBondContact O-CB 3.38Å; N414-H417 PolarHBondContact O-N 3.32Å; N414-Y418 WeakPolarHBondContact O-CD2 3.35Å; N414-Y418 WeakPolarHBondContact O-CE2 3.04Å
415	C	96.6	Very high	91.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.4	-39	179.9	-71.2	0	0	0	0	112.7	D407 H417 Y418 Q419 Y425 C428	D407-C415 HydrophobicContact CB-CB 4.42Å; D407-C415 VanDerWaalsContact OD2-CB 3.22Å; D407-C415 WeakPolarHBondContact OD2-CB 3.32Å; D407-C415 PolarHBondContact OD2-N 3.19Å; D407-C415 PolarHBondContact OD2-SG 2.95Å; C415-H417 PolarHBondContact O-N 3.39Å; C415-H417 VanDerWaalsContact O-N 3.09Å; C415-Y418 CarbonylContact O-C 3.32Å; C415-Y418 WeakPolarHBondContact O-CA 3.41Å; C415-Y418 PolarHBondContact O-N 2.92Å; C415-Q419 VanDerWaalsContact CA-OE1 3.25Å; C415-Q419 VanDerWaalsContact CB-OE1 3.26Å; C415-Q419 PolarHBondContact O-N 2.95Å; C415-Q419 PolarHBondContact O-OE1 3.24Å; C415-Y425 HydrophobicContact CB-CD1 4.05Å; C415-Y425 HydrophobicContact CB-CD2 3.83Å; C415-Y425 HydrophobicContact CB-CE2 4.5Å; C415-Y425 HydrophobicContact CB-CG 3.58Å; C415-C428 VanDerWaalsContact CA-SG 3.52Å; C415-C428 HydrophobicContact CB-CB 3.6Å; C415-C428 WeakPolarHBondContact CB-SG 3.41Å; C415-C428 WeakPolarHBondContact SG-CA 3.4Å; C415-C428 WeakPolarHBondContact SG-CB 3.14Å; C415-C428 CovalentContact SG-SG 2.04Å; C415-C428 PolarHBondContact SG-SG 3.47Å
416	A	96.7	Very high	91.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.3	-30.2	177.5	0	0	0	0	0	112.9	F313 T400 N414 Y418 K420 G421 Y425	F313-A416 VanDerWaalsContact CE2-O 3.3Å; F313-A416 WeakPolarHBondContact CE2-O 3.47Å; T400-A416 HydrophobicContact CG2-CB 4.23Å; N414-A416 VanDerWaalsContact C-N 3.27Å; N414-A416 PolarHBondContact O-N 3.43Å; N414-A416 WeakPolarHBondContact OD1-CA 3.46Å; N414-A416 VanDerWaalsContact OD1-CB 3.22Å; N414-A416 WeakPolarHBondContact OD1-CB 3.43Å; N414-A416 PolarHBondContact OD1-N 3.03Å; A416-Y418 VanDerWaalsContact C-N 3.31Å; A416-Y418 PolarHBondContact O-N 3.12Å; A416-K420 WeakPolarHBondContact O-CA 3.46Å; A416-K420 PolarHBondContact O-N 3Å; A416-G421 WeakPolarHBondContact CB-O 3.48Å; A416-Y425 HydrophobicContact CB-CD2 4.48Å; A416-Y425 HydrophobicContact CB-CE2 3.94Å
417	H	95.3	Very high	91.7	Very high	76 Å²	76	39.6 Å²	39.6	35%	0.352	23%	0.228	S	C	.	.	H	α-helix	trans	-70.5	-25.5	174.2	-68.8	-45.9	0	0	0	113.7	L402 N414 C415 K420	L402-H417 PolarHBondContact O-CE1 3.32Å; L402-H417 PolarHBondContact O-NE2 3.09Å; N414-H417 WeakPolarHBondContact O-CB 3.38Å; N414-H417 PolarHBondContact O-N 3.32Å; C415-H417 PolarHBondContact O-N 3.39Å; C415-H417 VanDerWaalsContact O-N 3.09Å; H417-K420 VanDerWaalsContact O-CE 3.26Å; H417-K420 WeakPolarHBondContact O-CE 3.37Å; H417-K420 PolarHBondContact O-NZ 2.92Å
418	Y	94.8	Very high	91.7	Very high	58 Å²	58	39.5 Å²	39.5	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-92.9	-45.3	179.6	-56.3	-72.2	0	0	0	111.9	Y409 N414 C415 A416 Y447 D449	Y409-Y418 HydrophobicContact CE1-CE2 4.41Å; N414-Y418 WeakPolarHBondContact O-CD2 3.35Å; N414-Y418 WeakPolarHBondContact O-CE2 3.04Å; C415-Y418 CarbonylContact O-C 3.32Å; C415-Y418 WeakPolarHBondContact O-CA 3.41Å; C415-Y418 PolarHBondContact O-N 2.92Å; A416-Y418 VanDerWaalsContact C-N 3.31Å; A416-Y418 PolarHBondContact O-N 3.12Å; Y418-Y447 AromaticContact CD1-CD1 3.86Å; Y418-Y447 HydrophobicContact CD1-CD1 3.86Å; Y418-Y447 AromaticContact CD1-CD2 4Å; Y418-Y447 HydrophobicContact CD1-CD2 4Å; Y418-Y447 AromaticContact CD1-CE1 3.55Å; Y418-Y447 HydrophobicContact CD1-CE1 3.55Å; Y418-Y447 AromaticContact CD1-CE2 3.69Å; Y418-Y447 HydrophobicContact CD1-CE2 3.69Å; Y418-Y447 HydrophobicContact CD1-CG 4.07Å; Y418-Y447 AromaticContact CD1-CZ 3.46Å; Y418-Y447 VanDerWaalsContact CD1-CZ 3.46Å; Y418-Y447 AromaticContact CE1-CE1 3.97Å; Y418-Y447 HydrophobicContact CE1-CE1 3.97Å; Y418-Y447 HydrophobicContact CE1-CE2 4.26Å; Y418-Y447 AromaticContact CE1-CZ 3.73Å; Y418-D449 WeakPolarHBondContact O-CB 3.41Å
419	Q	96.3	Very high	92.1	Very high	18 Å²	18	37.6 Å²	37.6	8%	0.084	22%	0.216	C	C	.	.	H	α-helix	trans	-89.3	-9	-176.6	-76	72.4	52.5	0	0	114.3	C415 G421 Y425 C428 A429 N432	C415-Q419 VanDerWaalsContact CA-OE1 3.25Å; C415-Q419 VanDerWaalsContact CB-OE1 3.26Å; C415-Q419 PolarHBondContact O-N 2.95Å; C415-Q419 PolarHBondContact O-OE1 3.24Å; Q419-G421 PolarHBondContact O-N 3.34Å; Q419-Y425 HydrophobicContact CB-CE1 3.59Å; Q419-Y425 WeakPolarHBondContact CB-OH 3.49Å; Q419-Y425 HydrophobicContact CG-CE1 3.9Å; Q419-C428 VanDerWaalsContact CD-CB 3.4Å; Q419-C428 HydrophobicContact CG-CB 4.36Å; Q419-C428 PolarHBondContact OE1-SG 3.3Å; Q419-A429 HydrophobicContact CG-CB 4.38Å; Q419-N432 PolarHBondContact O-ND2 3.01Å
420	K	96.9	Very high	92.6	Very high	60 Å²	60	36.5 Å²	36.5	26%	0.261	21%	0.214	S	C	.	.			trans	60.8	36.9	170.1	-52.3	-59	-172.9	-169.8	0	115.4	F313 A416 H417 M436 D449	F313-K420 WeakPolarHBondContact CB-O 3.43Å; F313-K420 VanDerWaalsContact CD2-C 3.4Å; F313-K420 HydrophobicContact CD2-CB 4.22Å; F313-K420 HydrophobicContact CE2-CD 4.3Å; F313-K420 HydrophobicContact CG-CB 4.49Å; F313-K420 HydrophobicContact CZ-CD 4.32Å; A416-K420 WeakPolarHBondContact O-CA 3.46Å; A416-K420 PolarHBondContact O-N 3Å; H417-K420 VanDerWaalsContact O-CE 3.26Å; H417-K420 WeakPolarHBondContact O-CE 3.37Å; H417-K420 PolarHBondContact O-NZ 2.92Å; K420-M436 HydrophobicContact CB-CG 3.65Å; K420-M436 HydrophobicContact CB-SD 3.98Å; K420-M436 HydrophobicContact CG-CG 4.06Å; K420-D449 HydrophobicContact CB-CB 4.19Å; K420-D449 HydrophobicContact CG-CB 3.71Å
421	G	97.3	Very high	93.3	Very high	1 Å²	1	33 Å²	33	1%	0.01	19%	0.191	C	C	.	.	S	Bend	trans	-155.8	171.5	174.2	0	0	0	0	0	111.8	A416 Q419 Y425 N434	A416-G421 WeakPolarHBondContact CB-O 3.48Å; Q419-G421 PolarHBondContact O-N 3.34Å; G421-Y425 VanDerWaalsContact C-OH 3.3Å; G421-Y425 PolarHBondContact N-OH 3.27Å; G421-Y425 WeakPolarHBondContact O-CE2 3.42Å; G421-Y425 PolarHBondContact O-OH 2.93Å; G421-N434 WeakPolarHBondContact CA-O 3.44Å
422	G	98.4	Very high	94.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.			trans	-90.7	127.8	167	0	0	0	0	0	110.1	Y319 F399 T400 N434	Y319-G422 VanDerWaalsContact CZ-CA 3.5Å; Y319-G422 PolarHBondContact OH-N 3.14Å; F399-G422 WeakPolarHBondContact CZ-O 3.15Å; T400-G422 VanDerWaalsContact O-CA 3.29Å; T400-G422 WeakPolarHBondContact O-CA 3.47Å; G422-N434 WeakPolarHBondContact O-CB 3.28Å; G422-N434 PolarHBondContact O-ND2 3.02Å
423	W	98.6	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-158	168	-177	-157.9	-125.6	0	0	0	112.3	L391 H394 T400 Y425 S431 L433 N434 M468	L391-W423 HydrophobicContact CD1-CH2 4.4Å; L391-W423 HydrophobicContact CD1-CZ2 3.51Å; H394-W423 AromaticContact CE1-CD1 3.53Å; H394-W423 AromaticContact CE1-NE1 3.44Å; H394-W423 PolarHBondContact CE1-NE1 3.27Å; H394-W423 AromaticContact ND1-CD1 3.54Å; H394-W423 AromaticContact ND1-NE1 3.48Å; H394-W423 PolarHBondContact ND1-NE1 3.39Å; T400-W423 PolarHBondContact N-O 3.37Å; T400-W423 PolarHBondContact O-N 3.21Å; T400-W423 VanDerWaalsContact O-N 3.08Å; W423-Y425 HydrophobicContact CB-CD1 3.91Å; W423-Y425 HydrophobicContact CB-CD2 3.98Å; W423-Y425 HydrophobicContact CB-CE1 3.58Å; W423-Y425 HydrophobicContact CB-CE2 3.65Å; W423-Y425 HydrophobicContact CB-CG 4.09Å; W423-Y425 VanDerWaalsContact CB-CZ 3.44Å; W423-Y425 HydrophobicContact CG-CD1 4.44Å; W423-Y425 HydrophobicContact CG-CE1 4.21Å; W423-Y425 PolarHBondContact O-N 3.08Å; W423-S431 PolarHBondContact NE1-O 3.35Å; W423-L433 HydrophobicContact CH2-CB 3.96Å; W423-L433 HydrophobicContact CH2-CD1 4.11Å; W423-L433 HydrophobicContact CH2-CG 4.2Å; W423-L433 HydrophobicContact CZ2-CB 4.37Å; W423-L433 HydrophobicContact CZ2-CD1 4.39Å; W423-L433 HydrophobicContact CZ2-CG 4.28Å; W423-L433 HydrophobicContact CZ3-CB 4.4Å; W423-N434 HydrophobicContact CE3-CB 4.25Å; W423-M468 HydrophobicContact CH2-CE 3.84Å; W423-M468 HydrophobicContact CH2-SD 3.61Å; W423-M468 HydrophobicContact CZ3-CE 4.49Å; W423-M468 HydrophobicContact CZ3-SD 4.03Å
424	W	98.5	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.			trans	-76.3	64.7	167.6	-57.6	-79	0	0	0	110.5	W331 L334 F367 L369 Y376 L378 H394 K397 A398 F399	W331-W424 AromaticContact CH2-CH2 3.95Å; W331-W424 HydrophobicContact CH2-CH2 3.95Å; L334-W424 HydrophobicContact CD2-CZ2 4.32Å; F367-W424 HydrophobicContact CE2-CH2 4.31Å; F367-W424 HydrophobicContact CZ-CH2 4.34Å; L369-W424 HydrophobicContact CD1-CZ2 4.06Å; L369-W424 HydrophobicContact CD2-CH2 4.33Å; L369-W424 HydrophobicContact CD2-CZ2 3.4Å; L369-W424 VanDerWaalsContact CD2-CZ2 3.4Å; L369-W424 HydrophobicContact CG-CZ2 4.4Å; Y376-W424 PolarHBondContact O-NE1 3.34Å; L378-W424 HydrophobicContact CB-CB 4.18Å; L378-W424 VanDerWaalsContact CB-CD1 3.5Å; L378-W424 HydrophobicContact CB-CD2 3.84Å; L378-W424 HydrophobicContact CB-CG 3.58Å; L378-W424 HydrophobicContact CD1-CD2 4.32Å; L378-W424 HydrophobicContact CD1-CH2 4.48Å; L378-W424 HydrophobicContact CD1-CZ2 4.32Å; L378-W424 HydrophobicContact CD2-CB 4.16Å; L378-W424 HydrophobicContact CD2-CD2 3.84Å; L378-W424 HydrophobicContact CD2-CE3 3.87Å; L378-W424 HydrophobicContact CD2-CG 3.99Å; L378-W424 HydrophobicContact CG-CD2 4.23Å; L378-W424 HydrophobicContact CG-CG 4.35Å; H394-W424 HydrophobicContact CB-CB 4.33Å; H394-W424 PolarHBondContact ND1-O 3.4Å; K397-W424 HydrophobicContact CB-CB 4.27Å; A398-W424 WeakPolarHBondContact O-CA 3.49Å; F399-W424 AromaticContact CD2-CD1 3.81Å; F399-W424 AromaticContact CD2-CD2 3.89Å; F399-W424 HydrophobicContact CD2-CD2 3.89Å; F399-W424 AromaticContact CD2-CE2 3.64Å; F399-W424 HydrophobicContact CD2-CG 4.02Å; F399-W424 HydrophobicContact CD2-CZ2 4.12Å; F399-W424 AromaticContact CD2-NE1 3.6Å; F399-W424 HydrophobicContact CE2-CD2 4.29Å; F399-W424 HydrophobicContact CE2-CZ2 4.3Å
425	Y	98.1	Very high	96.8	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	10%	0.102	C	C	.	.			trans	-67.1	149.3	-176.4	-66.3	-61.8	0	0	0	112.4	T400 C415 A416 Q419 G421 W423 A429 N432	T400-Y425 HydrophobicContact CG2-CD2 4.12Å; C415-Y425 HydrophobicContact CB-CD1 4.05Å; C415-Y425 HydrophobicContact CB-CD2 3.83Å; C415-Y425 HydrophobicContact CB-CE2 4.5Å; C415-Y425 HydrophobicContact CB-CG 3.58Å; A416-Y425 HydrophobicContact CB-CD2 4.48Å; A416-Y425 HydrophobicContact CB-CE2 3.94Å; Q419-Y425 HydrophobicContact CB-CE1 3.59Å; Q419-Y425 WeakPolarHBondContact CB-OH 3.49Å; Q419-Y425 HydrophobicContact CG-CE1 3.9Å; G421-Y425 VanDerWaalsContact C-OH 3.3Å; G421-Y425 PolarHBondContact N-OH 3.27Å; G421-Y425 WeakPolarHBondContact O-CE2 3.42Å; G421-Y425 PolarHBondContact O-OH 2.93Å; W423-Y425 HydrophobicContact CB-CD1 3.91Å; W423-Y425 HydrophobicContact CB-CD2 3.98Å; W423-Y425 HydrophobicContact CB-CE1 3.58Å; W423-Y425 HydrophobicContact CB-CE2 3.65Å; W423-Y425 HydrophobicContact CB-CG 4.09Å; W423-Y425 VanDerWaalsContact CB-CZ 3.44Å; W423-Y425 HydrophobicContact CG-CD1 4.44Å; W423-Y425 HydrophobicContact CG-CE1 4.21Å; W423-Y425 PolarHBondContact O-N 3.08Å; Y425-A429 HydrophobicContact CD1-CB 4Å; Y425-A429 HydrophobicContact CE1-CB 4.13Å; Y425-N432 PolarHBondContact OH-OD1 3.16Å
426	H	94.2	Very high	96.9	Very high	34 Å²	34	24.5 Å²	24.5	16%	0.157	12%	0.118	C	C	.	.	S	Bend	trans	-114.5	-95.2	169.7	-173	-137.2	0	0	0	110.1	W393 K397 S408 Y409 C428	W393-H426 HydrophobicContact CD2-CB 4.32Å; W393-H426 AromaticContact CD2-ND1 3.89Å; W393-H426 AromaticContact CE2-ND1 3.2Å; W393-H426 HydrophobicContact CE3-CB 3.94Å; W393-H426 HydrophobicContact CH2-CB 3.8Å; W393-H426 AromaticContact CH2-ND1 3.65Å; W393-H426 HydrophobicContact CZ2-CB 4.13Å; W393-H426 AromaticContact CZ2-CG 3.93Å; W393-H426 AromaticContact CZ2-ND1 3.07Å; W393-H426 WeakPolarHBondContact CZ2-ND1 3.4Å; W393-H426 HydrophobicContact CZ3-CB 3.67Å; W393-H426 AromaticContact NE1-ND1 3.6Å; K397-H426 HydrophobicContact CD-CB 4.17Å; K397-H426 WeakPolarHBondContact CE-CD2 3.22Å; K397-H426 HydrophobicContact CG-CB 4.13Å; K397-H426 PolarHBondContact NZ-CD2 2.84Å; K397-H426 PolarHBondContact NZ-NE2 3.46Å; S408-H426 VanDerWaalsContact CB-CD2 3.41Å; S408-H426 WeakPolarHBondContact CB-CD2 3.37Å; S408-H426 PolarHBondContact N-O 3.2Å; S408-H426 VanDerWaalsContact N-O 3.13Å; S408-H426 PolarHBondContact OG-CD2 3.32Å; Y409-H426 PolarHBondContact N-O 2.94Å; H426-C428 PolarHBondContact N-O 3.05Å
427	M	91.8	Very high	97	Very high	95 Å²	95	27 Å²	27	47%	0.468	13%	0.127	S	C	.	.	S	Bend	trans	-140.9	50.9	-179.9	-57.3	177.6	81.4	0	0	113.9	W393 S408 Y409 P410	W393-M427 HydrophobicContact CH2-CB 4.29Å; W393-M427 VanDerWaalsContact CH2-N 3.3Å; S408-M427 WeakPolarHBondContact O-CE 3.43Å; S408-M427 WeakPolarHBondContact O-CG 3.46Å; Y409-M427 HydrophobicContact CD2-CB 4.31Å; P410-M427 HydrophobicContact CG-CE 4.38Å
428	C	93.2	Very high	97.1	Very high	16 Å²	16	26.5 Å²	26.5	11%	0.108	12%	0.123	C	C	.	.	S	Bend	cis	-115.6	-52.1	7.8	-76.8	0	0	0	0	113.2	C415 Q419 H426	C415-C428 VanDerWaalsContact CA-SG 3.52Å; C415-C428 HydrophobicContact CB-CB 3.6Å; C415-C428 WeakPolarHBondContact CB-SG 3.41Å; C415-C428 WeakPolarHBondContact SG-CA 3.4Å; C415-C428 WeakPolarHBondContact SG-CB 3.14Å; C415-C428 CovalentContact SG-SG 2.04Å; C415-C428 PolarHBondContact SG-SG 3.47Å; Q419-C428 VanDerWaalsContact CD-CB 3.4Å; Q419-C428 HydrophobicContact CG-CB 4.36Å; Q419-C428 PolarHBondContact OE1-SG 3.3Å; H426-C428 PolarHBondContact N-O 3.05Å
429	A	96.9	Very high	97.2	Very high	16 Å²	16	33.9 Å²	33.9	13%	0.132	15%	0.15	C	C	.	.			trans	-147.3	143.7	-176.8	0	0	0	0	0	113.8	Q419 Y425 S431 N432 Y452	Q419-A429 HydrophobicContact CG-CB 4.38Å; Y425-A429 HydrophobicContact CD1-CB 4Å; Y425-A429 HydrophobicContact CE1-CB 4.13Å; A429-S431 WeakPolarHBondContact CB-O 3.35Å; A429-N432 HydrophobicContact CB-CB 4.46Å; A429-Y452 WeakPolarHBondContact CB-OH 3.44Å; A429-Y452 PolarHBondContact O-OH 3Å
430	H	97.9	Very high	97.1	Very high	69 Å²	69	35.1 Å²	35.1	32%	0.319	17%	0.168	S	C	.	.	S	Bend	trans	-98.9	-25.8	160.9	-74.4	-161.6	0	0	0	110.8	S390 W393 H394 Y452 A454	S390-H430 WeakPolarHBondContact CB-O 3.31Å; W393-H430 AromaticContact CD2-CD2 3.67Å; W393-H430 AromaticContact CD2-CE1 3.92Å; W393-H430 AromaticContact CD2-CG 3.94Å; W393-H430 AromaticContact CD2-NE2 3.66Å; W393-H430 AromaticContact CE2-NE2 3.76Å; W393-H430 HydrophobicContact CE3-CB 4.23Å; W393-H430 AromaticContact CE3-CD2 3.45Å; W393-H430 VanDerWaalsContact CE3-CD2 3.45Å; W393-H430 AromaticContact CE3-CG 3.77Å; W393-H430 AromaticContact CE3-NE2 3.94Å; W393-H430 AromaticContact CG-CE1 3.79Å; W393-H430 AromaticContact CG-ND1 3.83Å; W393-H430 AromaticContact CZ3-CD2 3.7Å; H394-H430 PolarHBondContact NE2-N 3.5Å; H430-Y452 WeakPolarHBondContact O-CE2 3.42Å; H430-A454 WeakPolarHBondContact O-CB 3.39Å; H430-A454 PolarHBondContact O-N 3.4Å
431	S	98.4	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-128.5	140.4	167.4	53.7	0	0	0	0	110.3	S390 L391 H394 W423 A429 Y452	S390-S431 VanDerWaalsContact O-CB 3.3Å; S390-S431 WeakPolarHBondContact O-CB 3.32Å; S390-S431 PolarHBondContact O-N 3.03Å; S390-S431 PolarHBondContact O-OG 2.95Å; L391-S431 WeakPolarHBondContact CD1-OG 3.37Å; H394-S431 PolarHBondContact CE1-O 2.94Å; H394-S431 PolarHBondContact NE2-N 3.29Å; H394-S431 VanDerWaalsContact NE2-N 3.15Å; H394-S431 PolarHBondContact NE2-OG 3.06Å; W423-S431 PolarHBondContact NE1-O 3.35Å; A429-S431 WeakPolarHBondContact CB-O 3.35Å; S431-Y452 WeakPolarHBondContact CA-O 3.43Å
432	N	98.5	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.			trans	-134.7	59.3	179.7	-172.6	34.6	0	0	0	110.9	Q419 Y425 A429 N434 G435 D449 G450 V451 Y452	Q419-N432 PolarHBondContact O-ND2 3.01Å; Y425-N432 PolarHBondContact OH-OD1 3.16Å; A429-N432 HydrophobicContact CB-CB 4.46Å; N432-N434 PolarHBondContact O-N 2.91Å; N432-N434 VanDerWaalsContact O-N 3.13Å; N432-G435 WeakPolarHBondContact ND2-CA 3.41Å; N432-G435 PolarHBondContact O-N 3.25Å; N432-D449 PolarHBondContact ND2-O 3.23Å; N432-G450 PolarHBondContact ND2-O 3.2Å; N432-V451 WeakPolarHBondContact O-CA 3.45Å; N432-Y452 HydrophobicContact CB-CD1 3.7Å; N432-Y452 HydrophobicContact CB-CE1 3.29Å; N432-Y452 HydrophobicContact CB-CE2 4.3Å; N432-Y452 HydrophobicContact CB-CG 4.35Å; N432-Y452 PolarHBondContact N-O 3.08Å
433	L	98.7	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	-172	-57.7	-175.8	0	0	0	113.5	Q303 R305 V350 L352 W423 W453 V466 M468	Q303-L433 PolarHBondContact NE2-O 3.42Å; R305-L433 PolarHBondContact NH1-O 2.86Å; V350-L433 HydrophobicContact CG1-CD1 3.69Å; L352-L433 HydrophobicContact CD2-CD2 4.01Å; W423-L433 HydrophobicContact CH2-CB 3.96Å; W423-L433 HydrophobicContact CH2-CD1 4.11Å; W423-L433 HydrophobicContact CH2-CG 4.2Å; W423-L433 HydrophobicContact CZ2-CB 4.37Å; W423-L433 HydrophobicContact CZ2-CD1 4.39Å; W423-L433 HydrophobicContact CZ2-CG 4.28Å; W423-L433 HydrophobicContact CZ3-CB 4.4Å; L433-W453 HydrophobicContact CD1-CE3 4.3Å; L433-W453 HydrophobicContact CD1-CZ3 4.18Å; L433-W453 HydrophobicContact CD2-CE3 4.15Å; L433-W453 HydrophobicContact CG-CE3 4.49Å; L433-V466 HydrophobicContact CB-CG1 4.19Å; L433-V466 HydrophobicContact CD1-CG1 3.9Å; L433-V466 HydrophobicContact CD2-CG1 3.99Å; L433-V466 HydrophobicContact CD2-CG2 4.22Å; L433-V466 HydrophobicContact CG-CG1 4.24Å; L433-M468 HydrophobicContact CD1-CG 4.07Å; L433-M468 HydrophobicContact CD1-SD 3.95Å
434	N	98.8	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.8	175.7	-71.4	-9.8	0	0	0	113.3	Q303 F312 G421 G422 W423 N432	Q303-N434 PolarHBondContact NE2-OD1 3.43Å; F312-N434 WeakPolarHBondContact CB-O 3.37Å; F312-N434 HydrophobicContact CD1-CB 4.11Å; G421-N434 WeakPolarHBondContact CA-O 3.44Å; G422-N434 WeakPolarHBondContact O-CB 3.28Å; G422-N434 PolarHBondContact O-ND2 3.02Å; W423-N434 HydrophobicContact CE3-CB 4.25Å; N432-N434 PolarHBondContact O-N 2.91Å; N432-N434 VanDerWaalsContact O-N 3.13Å
435	G	97.7	Very high	96.4	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.01	25%	0.252	C	S	.	.	S	Bend	trans	-72.6	-170.9	177.4	0	0	0	0	0	114.8	R305 N432 D449 V451	R305-G435 PolarHBondContact NH1-O 3.4Å; R305-G435 PolarHBondContact NH2-O 3Å; N432-G435 WeakPolarHBondContact ND2-CA 3.41Å; N432-G435 PolarHBondContact O-N 3.25Å; G435-D449 CarbonylContact C-O 3.52Å; G435-D449 WeakPolarHBondContact CA-O 3.32Å; G435-V451 WeakPolarHBondContact O-CG2 3.41Å
436	M	97.8	Very high	96.2	Very high	69 Å²	69	64.5 Å²	64.5	34%	0.34	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-69.2	127	175.4	-61.7	-59	-69.3	0	0	110.9	K420 Y438 D449 G450 V451 S462	K420-M436 HydrophobicContact CB-CG 3.65Å; K420-M436 HydrophobicContact CB-SD 3.98Å; K420-M436 HydrophobicContact CG-CG 4.06Å; M436-Y438 HydrophobicContact CB-CD2 4.2Å; M436-Y438 HydrophobicContact CB-CE2 3.59Å; M436-Y438 WeakPolarHBondContact O-CD2 3.42Å; M436-Y438 PolarHBondContact O-N 3.35Å; M436-D449 PolarHBondContact N-O 3.19Å; M436-G450 CarbonylContact O-C 3.53Å; M436-G450 WeakPolarHBondContact O-CA 3.29Å; M436-V451 PolarHBondContact O-N 2.92Å; M436-V451 VanDerWaalsContact O-N 3.1Å; M436-S462 PolarHBondContact O-OG 3.34Å
437	W	98.1	Very high	96.1	Very high	53 Å²	53	67 Å²	67	20%	0.201	30%	0.299	C	S	.	.			trans	-81.7	118.3	176.6	-170.3	93.1	0	0	0	109.6	W355 R439 V451 L463 K464	W355-W437 AromaticContact CH2-CH2 3.4Å; W355-W437 HydrophobicContact CH2-CH2 3.4Å; W355-W437 VanDerWaalsContact CH2-CH2 3.4Å; W355-W437 AromaticContact CH2-CZ2 3.43Å; W355-W437 HydrophobicContact CH2-CZ2 3.43Å; W355-W437 VanDerWaalsContact CH2-CZ2 3.43Å; W355-W437 HydrophobicContact CH2-CZ3 4.3Å; W355-W437 AromaticContact CZ2-CH2 3.83Å; W355-W437 HydrophobicContact CZ2-CH2 3.83Å; W355-W437 AromaticContact CZ2-CZ2 3.51Å; W355-W437 HydrophobicContact CZ2-CZ2 3.51Å; W437-R439 HydrophobicContact CH2-CB 4.26Å; W437-R439 HydrophobicContact CH2-CG 4.34Å; W437-R439 HydrophobicContact CZ3-CB 3.82Å; W437-R439 HydrophobicContact CZ3-CG 4.32Å; W437-V451 HydrophobicContact CB-CG2 4.22Å; W437-L463 PolarHBondContact NE1-O 3.41Å; W437-K464 PolarHBondContact NE1-O 3.01Å
438	Y	97.9	Very high	96.3	Very high	65 Å²	65	66.9 Å²	66.9	26%	0.255	30%	0.298	S	S	.	.			trans	-109.9	122.1	-180	-71.5	-83.4	0	0	0	109.9	W355 M436 G440 Y443 D449 S462	W355-Y438 WeakPolarHBondContact CZ2-O 3.37Å; M436-Y438 HydrophobicContact CB-CD2 4.2Å; M436-Y438 HydrophobicContact CB-CE2 3.59Å; M436-Y438 WeakPolarHBondContact O-CD2 3.42Å; M436-Y438 PolarHBondContact O-N 3.35Å; Y438-G440 PolarHBondContact O-N 2.94Å; Y438-Y443 HydrophobicContact CD1-CG 4.4Å; Y438-Y443 AromaticContact CD2-CD1 3.96Å; Y438-Y443 HydrophobicContact CD2-CD1 3.96Å; Y438-Y443 AromaticContact CD2-CD2 3.7Å; Y438-Y443 HydrophobicContact CD2-CD2 3.7Å; Y438-Y443 HydrophobicContact CD2-CE1 4.43Å; Y438-Y443 HydrophobicContact CD2-CE2 4.19Å; Y438-Y443 AromaticContact CD2-CG 3.58Å; Y438-Y443 HydrophobicContact CD2-CG 3.58Å; Y438-Y443 HydrophobicContact CE1-CD2 4.47Å; Y438-Y443 AromaticContact CE2-CD2 3.54Å; Y438-Y443 HydrophobicContact CE2-CD2 3.54Å; Y438-Y443 AromaticContact CE2-CE2 3.85Å; Y438-Y443 HydrophobicContact CE2-CE2 3.85Å; Y438-Y443 AromaticContact CE2-CG 3.95Å; Y438-Y443 HydrophobicContact CE2-CG 3.95Å; Y438-Y443 HydrophobicContact CG-CD1 4.38Å; Y438-Y443 HydrophobicContact CG-CD2 4.25Å; Y438-Y443 AromaticContact CG-CG 3.84Å; Y438-Y443 HydrophobicContact CG-CG 3.84Å; Y438-Y443 AromaticContact CZ-CD2 3.97Å; Y438-D449 WeakPolarHBondContact CE2-OD1 3.43Å; Y438-D449 PolarHBondContact OH-OD1 3.5Å; Y438-D449 VanDerWaalsContact OH-OD1 3.13Å; Y438-S462 PolarHBondContact N-OG 2.94Å
439	R	96.5	Very high	96.5	Very high	214 Å²	214	66.5 Å²	66.5	81%	0.808	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	133.4	177.5	-169.2	176.3	-176.4	179	1	110.7	W355 W437	W355-R439 HydrophobicContact CH2-CB 4.13Å; W355-R439 HydrophobicContact CH2-CG 3.64Å; W355-R439 HydrophobicContact CZ2-CG 4.47Å; W355-R439 HydrophobicContact CZ3-CG 3.99Å; W437-R439 HydrophobicContact CH2-CB 4.26Å; W437-R439 HydrophobicContact CH2-CG 4.34Å; W437-R439 HydrophobicContact CZ3-CB 3.82Å; W437-R439 HydrophobicContact CZ3-CG 4.32Å
440	G	94.7	Very high	96.5	Very high	44 Å²	44	65.7 Å²	65.7	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	4.6	174.9	0	0	0	0	0	115.6	W355 Y438 H442	W355-G440 VanDerWaalsContact CH2-N 3.3Å; Y438-G440 PolarHBondContact O-N 2.94Å; G440-H442 PolarHBondContact O-N 3.4Å; G440-H442 VanDerWaalsContact O-N 3.1Å
441	G	94.8	Very high	96.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	87.8	-81.2	171.3	0	0	0	0	0	112.2	W355 Y443 Y461 S462	W355-G441 VanDerWaalsContact CD1-N 3.27Å; W355-G441 VanDerWaalsContact NE1-CA 3.32Å; G441-Y443 PolarHBondContact O-N 3.3Å; G441-Y461 CarbonylContact O-C 3.41Å; G441-Y461 WeakPolarHBondContact O-CA 3.46Å; G441-S462 WeakPolarHBondContact CA-O 3.47Å; G441-S462 PolarHBondContact O-N 3.44Å
442	H	96.8	Very high	96.6	Very high	146 Å²	146	62.7 Å²	62.7	68%	0.676	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-65.5	128.4	-177.5	-65.9	89.4	0	0	0	111	G440 Y461	G440-H442 PolarHBondContact O-N 3.4Å; G440-H442 VanDerWaalsContact O-N 3.1Å; H442-Y461 AromaticContact CE1-CD2 3.57Å; H442-Y461 AromaticContact CE1-CE2 3.64Å; H442-Y461 AromaticContact ND1-CD2 3.77Å; H442-Y461 AromaticContact ND1-CE2 3.8Å; H442-Y461 AromaticContact NE2-CD2 3.77Å
443	Y	96.8	Very high	96.6	Very high	17 Å²	17	62.8 Å²	62.8	7%	0.067	27%	0.274	C	S	.	.			trans	-134.7	158	178.3	72.5	-82.6	0	0	0	111.1	Y438 G441 Q448 D449 G450 G459 S460	Y438-Y443 HydrophobicContact CD1-CG 4.4Å; Y438-Y443 AromaticContact CD2-CD1 3.96Å; Y438-Y443 HydrophobicContact CD2-CD1 3.96Å; Y438-Y443 AromaticContact CD2-CD2 3.7Å; Y438-Y443 HydrophobicContact CD2-CD2 3.7Å; Y438-Y443 HydrophobicContact CD2-CE1 4.43Å; Y438-Y443 HydrophobicContact CD2-CE2 4.19Å; Y438-Y443 AromaticContact CD2-CG 3.58Å; Y438-Y443 HydrophobicContact CD2-CG 3.58Å; Y438-Y443 HydrophobicContact CE1-CD2 4.47Å; Y438-Y443 AromaticContact CE2-CD2 3.54Å; Y438-Y443 HydrophobicContact CE2-CD2 3.54Å; Y438-Y443 AromaticContact CE2-CE2 3.85Å; Y438-Y443 HydrophobicContact CE2-CE2 3.85Å; Y438-Y443 AromaticContact CE2-CG 3.95Å; Y438-Y443 HydrophobicContact CE2-CG 3.95Å; Y438-Y443 HydrophobicContact CG-CD1 4.38Å; Y438-Y443 HydrophobicContact CG-CD2 4.25Å; Y438-Y443 AromaticContact CG-CG 3.84Å; Y438-Y443 HydrophobicContact CG-CG 3.84Å; Y438-Y443 AromaticContact CZ-CD2 3.97Å; G441-Y443 PolarHBondContact O-N 3.3Å; Y443-Q448 VanDerWaalsContact OH-C 3.28Å; Y443-Q448 WeakPolarHBondContact OH-CA 3.5Å; Y443-D449 WeakPolarHBondContact CE2-OD1 3.37Å; Y443-D449 PolarHBondContact OH-N 3.44Å; Y443-D449 VanDerWaalsContact OH-N 3.17Å; Y443-G450 VanDerWaalsContact CZ-N 3.32Å; Y443-G450 PolarHBondContact OH-N 3.48Å; Y443-G459 PolarHBondContact OH-O 3.41Å; Y443-S460 WeakPolarHBondContact CD1-O 3.48Å; Y443-S460 PolarHBondContact N-O 3.3Å
444	R	94.5	Very high	96.6	Very high	252 Å²	252	64.3 Å²	64.3	95%	0.951	29%	0.287	S	S	*	.			trans	-127.1	110	173.1	-66.2	-175.1	-178.8	117.7	-0.9	107.9
445	S	92.8	Very high	96.5	Very high	50 Å²	50	70.3 Å²	70.3	35%	0.35	32%	0.315	S	S	.	.			trans	-127.8	164.5	172.1	175.9	0	0	0	0	108	Y447 D449	S445-Y447 WeakPolarHBondContact CB-O 3.43Å; S445-Y447 PolarHBondContact O-N 3.19Å; S445-Y447 PolarHBondContact OG-O 3.14Å; S445-D449 WeakPolarHBondContact CB-OD1 3.42Å; S445-D449 PolarHBondContact OG-OD1 2.86Å; S445-D449 PolarHBondContact OG-OD2 3.12Å
446	R	92.5	Very high	96.5	Very high	214 Å²	214	71.9 Å²	71.9	81%	0.808	32%	0.321	S	S	*	.	S	Bend	trans	-59.3	-31.1	175.6	-172.8	178.3	-165.4	-175.1	5.2	111.4
447	Y	93.6	Very high	96.4	Very high	86 Å²	86	71.2 Å²	71.2	34%	0.337	32%	0.317	S	S	.	.	S	Bend	trans	-126.1	160.5	177.6	-54.8	-68.2	0	0	0	109.6	Y418 S445 D449	Y418-Y447 AromaticContact CD1-CD1 3.86Å; Y418-Y447 HydrophobicContact CD1-CD1 3.86Å; Y418-Y447 AromaticContact CD1-CD2 4Å; Y418-Y447 HydrophobicContact CD1-CD2 4Å; Y418-Y447 AromaticContact CD1-CE1 3.55Å; Y418-Y447 HydrophobicContact CD1-CE1 3.55Å; Y418-Y447 AromaticContact CD1-CE2 3.69Å; Y418-Y447 HydrophobicContact CD1-CE2 3.69Å; Y418-Y447 HydrophobicContact CD1-CG 4.07Å; Y418-Y447 AromaticContact CD1-CZ 3.46Å; Y418-Y447 VanDerWaalsContact CD1-CZ 3.46Å; Y418-Y447 AromaticContact CE1-CE1 3.97Å; Y418-Y447 HydrophobicContact CE1-CE1 3.97Å; Y418-Y447 HydrophobicContact CE1-CE2 4.26Å; Y418-Y447 AromaticContact CE1-CZ 3.73Å; S445-Y447 WeakPolarHBondContact CB-O 3.43Å; S445-Y447 PolarHBondContact O-N 3.19Å; S445-Y447 PolarHBondContact OG-O 3.14Å; Y447-D449 PolarHBondContact O-N 2.94Å; Y447-D449 VanDerWaalsContact O-N 3.12Å
448	Q	95.3	Very high	96.3	Very high	93 Å²	93	70 Å²	70	44%	0.435	32%	0.322	S	S	.	.			trans	-81	87.7	170.6	-71	173.5	-27.7	0	0	108.8	Y443 Y452 S460	Y443-Q448 VanDerWaalsContact OH-C 3.28Å; Y443-Q448 WeakPolarHBondContact OH-CA 3.5Å; Q448-Y452 HydrophobicContact CB-CE1 4.25Å; Q448-Y452 WeakPolarHBondContact O-CE1 3.48Å; Q448-S460 PolarHBondContact NE2-OG 2.87Å; Q448-S460 VanDerWaalsContact NE2-OG 3.14Å
449	D	97.4	Very high	96.2	Very high	7 Å²	7	67.4 Å²	67.4	4%	0.037	31%	0.314	C	S	.	.			trans	-110.6	4.7	-174.6	53.1	7.5	0	0	0	113.6	Y418 K420 N432 G435 M436 Y438 Y443 S445 Y447	Y418-D449 WeakPolarHBondContact O-CB 3.41Å; K420-D449 HydrophobicContact CB-CB 4.19Å; K420-D449 HydrophobicContact CG-CB 3.71Å; N432-D449 PolarHBondContact ND2-O 3.23Å; G435-D449 CarbonylContact C-O 3.52Å; G435-D449 WeakPolarHBondContact CA-O 3.32Å; M436-D449 PolarHBondContact N-O 3.19Å; Y438-D449 WeakPolarHBondContact CE2-OD1 3.43Å; Y438-D449 PolarHBondContact OH-OD1 3.5Å; Y438-D449 VanDerWaalsContact OH-OD1 3.13Å; Y443-D449 WeakPolarHBondContact CE2-OD1 3.37Å; Y443-D449 PolarHBondContact OH-N 3.44Å; Y443-D449 VanDerWaalsContact OH-N 3.17Å; S445-D449 WeakPolarHBondContact CB-OD1 3.42Å; S445-D449 PolarHBondContact OG-OD1 2.86Å; S445-D449 PolarHBondContact OG-OD2 3.12Å; Y447-D449 PolarHBondContact O-N 2.94Å; Y447-D449 VanDerWaalsContact O-N 3.12Å
450	G	97.9	Very high	96.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-70.6	172.7	179.9	0	0	0	0	0	114.5	N432 M436 Y443 Y452	N432-G450 PolarHBondContact ND2-O 3.2Å; M436-G450 CarbonylContact O-C 3.53Å; M436-G450 WeakPolarHBondContact O-CA 3.29Å; Y443-G450 VanDerWaalsContact CZ-N 3.32Å; Y443-G450 PolarHBondContact OH-N 3.48Å; G450-Y452 WeakPolarHBondContact O-CD1 3.29Å; G450-Y452 PolarHBondContact O-N 3.18Å; G450-Y452 VanDerWaalsContact O-N 3.1Å
451	V	98.6	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-77.4	83.9	167.7	-178.1	0	0	0	0	109.1	R305 N432 G435 M436 W437 S462 L463 V466	R305-V451 HydrophobicContact CG-CG1 4.44Å; N432-V451 WeakPolarHBondContact O-CA 3.45Å; G435-V451 WeakPolarHBondContact O-CG2 3.41Å; M436-V451 PolarHBondContact O-N 2.92Å; M436-V451 VanDerWaalsContact O-N 3.1Å; W437-V451 HydrophobicContact CB-CG2 4.22Å; V451-S462 PolarHBondContact N-OG 3.02Å; V451-S462 VanDerWaalsContact N-OG 3.11Å; V451-S462 CarbonylContact O-C 3.43Å; V451-S462 WeakPolarHBondContact O-CA 3.5Å; V451-L463 HydrophobicContact CG1-CB 4.35Å; V451-L463 WeakPolarHBondContact O-CG 3.36Å; V451-L463 PolarHBondContact O-N 3.41Å; V451-V466 HydrophobicContact CG1-CG2 3.62Å
452	Y	98.6	Very high	96.6	Very high	6 Å²	6	58 Å²	58	2%	0.024	27%	0.274	C	S	.	.			trans	-119.6	159.9	-172.6	71	-99	0	0	0	114.2	A429 H430 S431 N432 Q448 G450 Y461	A429-Y452 WeakPolarHBondContact CB-OH 3.44Å; A429-Y452 PolarHBondContact O-OH 3Å; H430-Y452 WeakPolarHBondContact O-CE2 3.42Å; S431-Y452 WeakPolarHBondContact CA-O 3.43Å; N432-Y452 HydrophobicContact CB-CD1 3.7Å; N432-Y452 HydrophobicContact CB-CE1 3.29Å; N432-Y452 HydrophobicContact CB-CE2 4.3Å; N432-Y452 HydrophobicContact CB-CG 4.35Å; N432-Y452 PolarHBondContact N-O 3.08Å; Q448-Y452 HydrophobicContact CB-CE1 4.25Å; Q448-Y452 WeakPolarHBondContact O-CE1 3.48Å; G450-Y452 WeakPolarHBondContact O-CD1 3.29Å; G450-Y452 PolarHBondContact O-N 3.18Å; G450-Y452 VanDerWaalsContact O-N 3.1Å; Y452-Y461 VanDerWaalsContact CB-O 3.31Å; Y452-Y461 WeakPolarHBondContact CB-O 3.5Å
453	W	98.7	Very high	96.7	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.008	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-132.6	108.8	169	-171	-87.2	0	0	0	107.8	V350 L352 A362 A387 G388 S390 L391 L433 E455 F456 H457 L463	V350-W453 HydrophobicContact CG1-CZ3 4.29Å; L352-W453 HydrophobicContact CD1-CB 3.72Å; L352-W453 HydrophobicContact CD1-CD2 3.63Å; L352-W453 HydrophobicContact CD1-CE3 4.04Å; L352-W453 HydrophobicContact CD1-CG 3.5Å; A362-W453 HydrophobicContact CB-CH2 3.79Å; A362-W453 HydrophobicContact CB-CZ2 3.59Å; A387-W453 VanDerWaalsContact O-CD1 3.22Å; A387-W453 PolarHBondContact O-NE1 3.38Å; G388-W453 VanDerWaalsContact O-CZ2 3.25Å; G388-W453 WeakPolarHBondContact O-CZ2 3.45Å; G388-W453 PolarHBondContact O-NE1 3.46Å; S390-W453 VanDerWaalsContact CB-CE2 3.46Å; S390-W453 VanDerWaalsContact N-CZ2 3.32Å; S390-W453 PolarHBondContact OG-NE1 3.36Å; L391-W453 HydrophobicContact CB-CH2 3.8Å; L391-W453 HydrophobicContact CB-CZ3 4.25Å; L433-W453 HydrophobicContact CD1-CE3 4.3Å; L433-W453 HydrophobicContact CD1-CZ3 4.18Å; L433-W453 HydrophobicContact CD2-CE3 4.15Å; L433-W453 HydrophobicContact CG-CE3 4.49Å; W453-E455 PolarHBondContact O-N 3.15Å; W453-F456 HydrophobicContact CB-CB 4.35Å; W453-F456 HydrophobicContact CG-CB 4.43Å; W453-F456 PolarHBondContact O-N 2.93Å; W453-F456 VanDerWaalsContact O-N 3.08Å; W453-H457 PolarHBondContact O-N 3.4Å; W453-L463 HydrophobicContact CB-CD1 4.13Å
454	A	98	Very high	96.8	Very high	32 Å²	32	53.4 Å²	53.4	26%	0.264	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-42.9	-165.3	0	0	0	0	0	113.2	S390 H430 F456 G458	S390-A454 PolarHBondContact OG-N 3.14Å; H430-A454 WeakPolarHBondContact O-CB 3.39Å; H430-A454 PolarHBondContact O-N 3.4Å; A454-F456 PolarHBondContact O-N 3.13Å; A454-G458 VanDerWaalsContact O-CA 3.22Å; A454-G458 WeakPolarHBondContact O-CA 3.49Å; A454-G458 PolarHBondContact O-N 2.94Å
455	E	97.9	Very high	96.9	Very high	125 Å²	125	45.3 Å²	45.3	58%	0.584	22%	0.224	S	C	*	.	H	α-helix	trans	-69.6	-12.2	-178.8	-67.7	-65.3	123.3	0	0	113.7	S390 W453	S390-E455 WeakPolarHBondContact OG-CB 3.4Å; S390-E455 WeakPolarHBondContact OG-CG 3.49Å; S390-E455 PolarHBondContact OG-N 3.07Å; W453-E455 PolarHBondContact O-N 3.15Å
456	F	97.6	Very high	97.2	Very high	34 Å²	34	42.9 Å²	42.9	15%	0.149	21%	0.207	C	C	.	.	H	α-helix	trans	-97.2	-57.8	-179.7	-177.3	-150.1	0	0	0	112.5	D354 R358 V360 W453 A454 L463	D354-F456 HydrophobicContact CB-CE1 4.07Å; D354-F456 HydrophobicContact CB-CZ 4.18Å; R358-F456 HydrophobicContact CB-CZ 4.42Å; R358-F456 HydrophobicContact CG-CZ 4.29Å; V360-F456 HydrophobicContact CG1-CD2 4.31Å; V360-F456 HydrophobicContact CG1-CE2 3.84Å; V360-F456 HydrophobicContact CG1-CZ 3.99Å; V360-F456 HydrophobicContact CG2-CD1 3.64Å; V360-F456 HydrophobicContact CG2-CD2 4.16Å; V360-F456 HydrophobicContact CG2-CE1 3.64Å; V360-F456 HydrophobicContact CG2-CE2 4.15Å; V360-F456 HydrophobicContact CG2-CG 3.93Å; V360-F456 HydrophobicContact CG2-CZ 3.91Å; W453-F456 HydrophobicContact CB-CB 4.35Å; W453-F456 HydrophobicContact CG-CB 4.43Å; W453-F456 PolarHBondContact O-N 2.93Å; W453-F456 VanDerWaalsContact O-N 3.08Å; A454-F456 PolarHBondContact O-N 3.13Å; F456-L463 HydrophobicContact CD1-CD2 3.79Å; F456-L463 HydrophobicContact CE1-CD2 3.92Å
457	H	96.1	Very high	97.5	Very high	56 Å²	56	34 Å²	34	26%	0.259	18%	0.178	S	C	.	.	H	α-helix	trans	-132.8	12.7	-177.6	-76.4	-71.6	0	0	0	113.3	D354 W453 Y461	D354-H457 WeakPolarHBondContact CB-NE2 3.39Å; D354-H457 IonicContact OD2-CE1 2.92Å; D354-H457 PolarHBondContact OD2-CE1 2.66Å; D354-H457 IonicContact OD2-NE2 2.8Å; D354-H457 PolarHBondContact OD2-NE2 3Å; W453-H457 PolarHBondContact O-N 3.4Å; H457-Y461 HydrophobicContact CB-CD1 3.78Å; H457-Y461 HydrophobicContact CB-CD2 4.25Å; H457-Y461 HydrophobicContact CB-CG 3.63Å; H457-Y461 AromaticContact CD2-CE1 3.97Å; H457-Y461 AromaticContact CG-CD1 3.99Å
458	G	96.2	Very high	97.7	Very high	28 Å²	28	30 Å²	30	29%	0.289	16%	0.162	S	C	.	.			trans	72.4	-179.2	-175.7	0	0	0	0	0	113.9	A454 S460	A454-G458 VanDerWaalsContact O-CA 3.22Å; A454-G458 WeakPolarHBondContact O-CA 3.49Å; A454-G458 PolarHBondContact O-N 2.94Å; G458-S460 VanDerWaalsContact C-N 3.34Å; G458-S460 PolarHBondContact O-N 2.95Å
459	G	95.5	Very high	97.9	Very high	10 Å²	10	25.7 Å²	25.7	10%	0.103	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.2	-175.6	0	0	0	0	0	115.1	Y443	Y443-G459 PolarHBondContact OH-O 3.41Å
460	S	97.1	Very high	97.9	Very high	57 Å²	57	25.3 Å²	25.3	40%	0.399	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	19	-173.6	-63.4	0	0	0	0	114.2	Y443 Q448 G458	Y443-S460 WeakPolarHBondContact CD1-O 3.48Å; Y443-S460 PolarHBondContact N-O 3.3Å; Q448-S460 PolarHBondContact NE2-OG 2.87Å; Q448-S460 VanDerWaalsContact NE2-OG 3.14Å; G458-S460 VanDerWaalsContact C-N 3.34Å; G458-S460 PolarHBondContact O-N 2.95Å
461	Y	98.2	Very high	97.8	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.016	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-126.1	121.1	175.3	-170.2	-76.5	0	0	0	110.3	D354 W355 Q356 G441 H442 Y452 H457 L463	D354-Y461 HydrophobicContact CB-CE1 4Å; W355-Y461 WeakPolarHBondContact CB-OH 3.46Å; W355-Y461 AromaticContact CD1-CE1 3.79Å; W355-Y461 AromaticContact CD1-CZ 3.77Å; W355-Y461 PolarHBondContact N-OH 3.28Å; Q356-Y461 PolarHBondContact OE1-OH 2.79Å; G441-Y461 CarbonylContact O-C 3.41Å; G441-Y461 WeakPolarHBondContact O-CA 3.46Å; H442-Y461 AromaticContact CE1-CD2 3.57Å; H442-Y461 AromaticContact CE1-CE2 3.64Å; H442-Y461 AromaticContact ND1-CD2 3.77Å; H442-Y461 AromaticContact ND1-CE2 3.8Å; H442-Y461 AromaticContact NE2-CD2 3.77Å; Y452-Y461 VanDerWaalsContact CB-O 3.31Å; Y452-Y461 WeakPolarHBondContact CB-O 3.5Å; H457-Y461 HydrophobicContact CB-CD1 3.78Å; H457-Y461 HydrophobicContact CB-CD2 4.25Å; H457-Y461 HydrophobicContact CB-CG 3.63Å; H457-Y461 AromaticContact CD2-CE1 3.97Å; H457-Y461 AromaticContact CG-CD1 3.99Å; Y461-L463 HydrophobicContact CD1-CD2 4.33Å; Y461-L463 HydrophobicContact CE1-CD2 4.33Å
462	S	98.5	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.			trans	-93	118.9	178.4	-160.9	0	0	0	0	110.3	W355 M436 Y438 G441 V451	W355-S462 PolarHBondContact NE1-O 2.95Å; M436-S462 PolarHBondContact O-OG 3.34Å; Y438-S462 PolarHBondContact N-OG 2.94Å; G441-S462 WeakPolarHBondContact CA-O 3.47Å; G441-S462 PolarHBondContact O-N 3.44Å; V451-S462 PolarHBondContact N-OG 3.02Å; V451-S462 VanDerWaalsContact N-OG 3.11Å; V451-S462 CarbonylContact O-C 3.43Å; V451-S462 WeakPolarHBondContact O-CA 3.5Å
463	L	98.6	Very high	97.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.188	C	C	.	.			trans	-65.3	147.4	-177.7	-63.3	169.8	0	0	0	111.4	L352 W437 V451 W453 F456 Y461 V466	L352-L463 HydrophobicContact CB-CD1 4.02Å; L352-L463 HydrophobicContact CD1-CD1 4.22Å; L352-L463 HydrophobicContact CD2-CD1 3.7Å; L352-L463 HydrophobicContact CG-CD1 4.19Å; W437-L463 PolarHBondContact NE1-O 3.41Å; V451-L463 HydrophobicContact CG1-CB 4.35Å; V451-L463 WeakPolarHBondContact O-CG 3.36Å; V451-L463 PolarHBondContact O-N 3.41Å; W453-L463 HydrophobicContact CB-CD1 4.13Å; F456-L463 HydrophobicContact CD1-CD2 3.79Å; F456-L463 HydrophobicContact CE1-CD2 3.92Å; Y461-L463 HydrophobicContact CD1-CD2 4.33Å; Y461-L463 HydrophobicContact CE1-CD2 4.33Å; L463-V466 HydrophobicContact CB-CG2 3.89Å; L463-V466 HydrophobicContact CD1-CG2 3.85Å
464	K	98.4	Very high	97.2	Very high	63 Å²	63	34.8 Å²	34.8	27%	0.274	20%	0.197	S	C	.	.	S	Bend	trans	-75.8	-50.9	-178.6	-176.5	-175.8	171.8	-163.7	0	110.6	Q306 E353 W355 W437	Q306-K464 CarbonylContact C-O 3.58Å; Q306-K464 WeakPolarHBondContact CA-O 3.47Å; E353-K464 PolarHBondContact O-N 2.84Å; E353-K464 IonicContact OE1-NZ 4Å; W355-K464 HydrophobicContact CD2-CB 3.92Å; W355-K464 HydrophobicContact CD2-CD 4.29Å; W355-K464 HydrophobicContact CD2-CG 4.12Å; W355-K464 HydrophobicContact CE3-CB 4.48Å; W355-K464 HydrophobicContact CE3-CD 4.12Å; W355-K464 HydrophobicContact CE3-CG 4.18Å; W355-K464 HydrophobicContact CG-CB 4.12Å; W355-K464 HydrophobicContact CH2-CG 4.22Å; W355-K464 HydrophobicContact CZ2-CB 4.16Å; W355-K464 HydrophobicContact CZ2-CG 4.17Å; W355-K464 HydrophobicContact CZ3-CD 4.43Å; W355-K464 HydrophobicContact CZ3-CG 4.24Å; W437-K464 PolarHBondContact NE1-O 3.01Å
465	K	98.4	Very high	97.1	Very high	82 Å²	82	34.9 Å²	34.9	36%	0.357	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.4	174.7	-46.9	-171.6	-165.9	134.8	0	111.6	R305 Q306 E353	R305-K465 CarbonylContact O-C 3.57Å; R305-K465 VanDerWaalsContact O-CA 3.24Å; R305-K465 WeakPolarHBondContact O-CA 3.4Å; Q306-K465 HydrophobicContact CB-CG 4.26Å; E353-K465 HydrophobicContact CB-CB 3.92Å; E353-K465 HydrophobicContact CB-CG 4.34Å; E353-K465 PolarHBondContact N-O 3.25Å; E353-K465 PolarHBondContact O-N 3.19Å; E353-K465 VanDerWaalsContact O-N 3.16Å; E353-K465 IonicContact OE1-NZ 3.41Å; E353-K465 PolarHBondContact OE1-NZ 3.04Å; E353-K465 WeakPolarHBondContact OE2-CD 3.39Å; E353-K465 WeakPolarHBondContact OE2-CE 3.38Å; E353-K465 IonicContact OE2-NZ 3.03Å; E353-K465 PolarHBondContact OE2-NZ 3.02Å
466	V	98.4	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.9	174.4	175.3	0	0	0	0	108	R304 R305 V351 L352 L433 V451 L463	R304-V466 WeakPolarHBondContact CA-O 3.42Å; R305-V466 HydrophobicContact CB-CB 4.09Å; R305-V466 HydrophobicContact CG-CB 4.14Å; R305-V466 PolarHBondContact N-O 2.95Å; R305-V466 PolarHBondContact O-N 3.3Å; R305-V466 VanDerWaalsContact O-O 3.13Å; V351-V466 CarbonylContact O-C 3.56Å; V351-V466 WeakPolarHBondContact O-CA 3.42Å; L352-V466 HydrophobicContact CD2-CB 4.38Å; L352-V466 HydrophobicContact CD2-CG1 3.92Å; L352-V466 HydrophobicContact CD2-CG2 3.87Å; L433-V466 HydrophobicContact CB-CG1 4.19Å; L433-V466 HydrophobicContact CD1-CG1 3.9Å; L433-V466 HydrophobicContact CD2-CG1 3.99Å; L433-V466 HydrophobicContact CD2-CG2 4.22Å; L433-V466 HydrophobicContact CG-CG1 4.24Å; V451-V466 HydrophobicContact CG1-CG2 3.62Å; L463-V466 HydrophobicContact CB-CG2 3.89Å; L463-V466 HydrophobicContact CD1-CG2 3.85Å
467	S	98.1	Very high	97.1	Very high	28 Å²	28	29.6 Å²	29.6	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.7	169.4	-63.5	0	0	0	0	109.7	Q303 V350 V351	Q303-S467 WeakPolarHBondContact O-CA 3.39Å; V350-S467 WeakPolarHBondContact CA-O 3.36Å; V351-S467 PolarHBondContact N-O 3.39Å; V351-S467 PolarHBondContact O-N 3.13Å
468	M	98.6	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.9	169.3	-58.8	177.5	71	0	0	108.1	I302 Q303 L348 V350 W423 L433	I302-M468 HydrophobicContact CD1-CB 3.99Å; I302-M468 HydrophobicContact CD1-CE 4.37Å; I302-M468 HydrophobicContact CG1-CB 3.68Å; I302-M468 VanDerWaalsContact CG1-O 3.22Å; I302-M468 WeakPolarHBondContact CG1-O 3.44Å; I302-M468 PolarHBondContact N-O 3.28Å; Q303-M468 HydrophobicContact CB-CB 4.04Å; Q303-M468 HydrophobicContact CB-CG 4.22Å; Q303-M468 HydrophobicContact CB-SD 4.11Å; Q303-M468 PolarHBondContact N-O 2.95Å; Q303-M468 PolarHBondContact O-N 2.99Å; L348-M468 HydrophobicContact CD1-CB 4.25Å; L348-M468 HydrophobicContact CD1-CE 4.13Å; L348-M468 HydrophobicContact CD2-CE 4.13Å; V350-M468 HydrophobicContact CG1-CG 4.21Å; V350-M468 HydrophobicContact CG2-CE 4.42Å; V350-M468 HydrophobicContact CG2-CG 4.18Å; W423-M468 HydrophobicContact CH2-CE 3.84Å; W423-M468 HydrophobicContact CH2-SD 3.61Å; W423-M468 HydrophobicContact CZ3-CE 4.49Å; W423-M468 HydrophobicContact CZ3-SD 4.03Å; L433-M468 HydrophobicContact CD1-CG 4.07Å; L433-M468 HydrophobicContact CD1-SD 3.95Å
469	M	98.3	Very high	97.2	Very high	3 Å²	3	28 Å²	28	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.2	-178.3	56.6	-172.9	131.7	0	0	111.4	W299 T300 V301 R349 V351	W299-M469 HydrophobicContact CB-CB 4.07Å; W299-M469 HydrophobicContact CB-CG 4.08Å; W299-M469 HydrophobicContact CB-SD 3.59Å; W299-M469 VanDerWaalsContact CB-SD 3.59Å; W299-M469 HydrophobicContact CD2-CG 3.93Å; W299-M469 HydrophobicContact CD2-SD 3.92Å; W299-M469 HydrophobicContact CE3-CB 4.09Å; W299-M469 HydrophobicContact CE3-CG 3.61Å; W299-M469 HydrophobicContact CE3-SD 4.24Å; W299-M469 HydrophobicContact CG-CG 4.16Å; W299-M469 HydrophobicContact CG-SD 3.64Å; W299-M469 HydrophobicContact CZ3-CG 4.33Å; T300-M469 CarbonylContact O-C 3.59Å; T300-M469 WeakPolarHBondContact O-CA 3.32Å; T300-M469 WeakPolarHBondContact O-CB 3.41Å; V301-M469 HydrophobicContact CG2-CB 4.11Å; R349-M469 HydrophobicContact CB-CG 4.1Å; R349-M469 HydrophobicContact CG-CE 4.36Å; R349-M469 PolarHBondContact N-O 3.49Å; R349-M469 PolarHBondContact O-N 2.92Å; V351-M469 HydrophobicContact CB-CE 4.23Å; V351-M469 HydrophobicContact CG2-CE 3.42Å; V351-M469 VanDerWaalsContact CG2-CE 3.42Å
470	I	98.2	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.5	-177.9	64.7	175.2	0	0	0	110.9	T300 I302 L340 T341 Y346 K347 L348 F367	T300-I470 PolarHBondContact N-O 2.74Å; T300-I470 PolarHBondContact O-N 3Å; I302-I470 HydrophobicContact CD1-CG2 4Å; I302-I470 HydrophobicContact CG2-CD1 4.01Å; I302-I470 HydrophobicContact CG2-CG1 3.89Å; I302-I470 HydrophobicContact CG2-CG2 4.37Å; L340-I470 HydrophobicContact CB-CD1 4.26Å; L340-I470 HydrophobicContact CD1-CD1 4.12Å; T341-I470 HydrophobicContact CG2-CD1 4.27Å; Y346-I470 HydrophobicContact CD1-CB 4.08Å; Y346-I470 HydrophobicContact CD1-CD1 3.92Å; Y346-I470 HydrophobicContact CD1-CG1 3.96Å; Y346-I470 HydrophobicContact CE1-CD1 4.43Å; Y346-I470 HydrophobicContact CG-CD1 4.29Å; K347-I470 VanDerWaalsContact O-CA 3.22Å; K347-I470 WeakPolarHBondContact O-CA 3.49Å; L348-I470 HydrophobicContact CB-CG2 4.47Å; L348-I470 HydrophobicContact CD1-CG2 3.91Å; F367-I470 HydrophobicContact CD1-CG2 3.6Å; F367-I470 HydrophobicContact CE1-CG2 3.86Å; F367-I470 HydrophobicContact CG-CG2 4.36Å
471	K	96.5	Very high	97.3	Very high	23 Å²	23	27.2 Å²	27.2	10%	0.1	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.4	179	176.4	172.1	174.5	150.6	0	109	G297 W299 Y346 K347	G297-K471 PolarHBondContact O-NZ 3.13Å; W299-K471 HydrophobicContact CD2-CB 3.85Å; W299-K471 HydrophobicContact CD2-CD 4.16Å; W299-K471 HydrophobicContact CE3-CB 3.43Å; W299-K471 VanDerWaalsContact CE3-CB 3.43Å; W299-K471 HydrophobicContact CH2-CB 4.03Å; W299-K471 HydrophobicContact CZ2-CB 4.39Å; W299-K471 HydrophobicContact CZ2-CD 4.12Å; W299-K471 HydrophobicContact CZ3-CB 3.53Å; Y346-K471 CarbonylContact C-O 3.59Å; Y346-K471 WeakPolarHBondContact CA-O 3.39Å; Y346-K471 VanDerWaalsContact CD1-C 3.4Å; K347-K471 HydrophobicContact CG-CB 4.34Å; K347-K471 WeakPolarHBondContact CG-O 3.42Å; K347-K471 PolarHBondContact N-O 3.28Å; K347-K471 PolarHBondContact O-N 3.14Å; K347-K471 VanDerWaalsContact O-N 3.08Å
472	P	96.1	Very high	97.2	Very high	29 Å²	29	29.1 Å²	29.1	19%	0.188	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.4	174.9	27.1	-34.8	0	0	0	110.3	D260 Q262 K345 Y346	D260-P472 WeakPolarHBondContact OD2-CG 3.45Å; Q262-P472 HydrophobicContact CB-CG 3.59Å; Q262-P472 HydrophobicContact CG-CG 3.95Å; K345-P472 WeakPolarHBondContact O-CA 3.21Å; Y346-P472 HydrophobicContact CD1-CB 4.43Å; Y346-P472 HydrophobicContact CE1-CB 4.06Å; Y346-P472 HydrophobicContact CE1-CG 4.29Å
473	T	88.7	Confident	97.1	Very high	119 Å²	119	31.7 Å²	31.7	73%	0.73	17%	0.17	S	C	*	.			trans	-100.6	0	179	54.1	0	0	0	0	112.8	K345 K347	K345-T473 WeakPolarHBondContact CG-OG1 3.29Å; K345-T473 PolarHBondContact O-N 2.87Å; K345-T473 PolarHBondContact O-OG1 3.26Å; K347-T473 HydrophobicContact CB-CG2 3.48Å; K347-T473 VanDerWaalsContact CB-CG2 3.48Å; K347-T473 HydrophobicContact CD-CG2 3.9Å; K347-T473 HydrophobicContact CG-CG2 3.55Å

Retrieved 473 of 473 residues in 497.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).